#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dy5 s LYS 4 N 0.00 2.52 -1.14 5.87 -0.14 -1.26 -5.06 119.74 120.53 3dy5 s LYS 4 Ca 0.00 -1.44 -0.05 0.00 -1.36 0.00 0.00 55.97 53.12 3dy5 s LYS 4 Cb 0.00 -2.30 0.26 0.00 -1.68 0.00 0.00 37.83 34.11 3dy5 s LYS 4 CO 0.00 0.10 1.70 -1.71 -0.76 0.00 0.00 175.35 174.67 3dy5 n ASN 5 N -1.25 6.31 -3.43 2.83 2.85 -1.26 -4.93 115.26 116.38 3dy5 n ASN 5 Ca -0.02 -3.35 -0.35 0.00 -0.11 0.00 0.00 54.58 50.74 3dy5 n ASN 5 Cb 0.61 -1.32 -0.07 0.00 1.24 0.00 0.00 39.78 40.24 3dy5 n ASN 5 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3dy5 n PHE 6 N 1.83 0.81 0.00 1.20 3.01 -1.26 -2.84 117.46 120.22 3dy5 n PHE 6 Ca 0.35 -1.13 0.00 0.00 1.01 0.00 0.00 57.45 57.68 3dy5 n PHE 6 Cb 0.32 -1.17 0.00 0.00 -0.01 0.00 0.00 39.48 38.62 3dy5 n PHE 6 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dy5 n GLY 7 N 4.54 -0.51 0.27 1.37 0.00 -1.26 -4.57 105.19 105.03 3dy5 n GLY 7 Ca 0.41 0.04 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 3dy5 n GLY 7 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dy5 h PHE 8 N 0.00 -0.62 -0.96 1.61 3.04 -1.81 -1.12 116.94 117.08 3dy5 h PHE 8 Ca 0.00 0.03 0.13 0.00 3.98 0.00 0.00 57.97 62.11 3dy5 h PHE 8 Cb 0.00 0.30 -0.08 0.00 2.56 0.00 0.00 35.95 38.73 3dy5 h PHE 8 CO 0.00 -0.31 0.61 1.49 -2.02 0.00 0.00 178.31 178.08 3dy5 h GLU 9 N -0.27 0.85 0.00 1.11 4.81 -1.89 -1.68 114.58 117.52 3dy5 h GLU 9 Ca 0.12 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3dy5 h GLU 9 Cb 0.45 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3dy5 h GLU 9 CO -0.34 0.56 0.00 0.82 -0.73 0.00 0.00 179.01 179.32 3dy5 h ILE 10 N 0.88 0.00 0.08 2.32 2.04 -1.47 -1.76 117.51 119.60 3dy5 h ILE 10 Ca 0.48 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 66.25 3dy5 h ILE 10 Cb 0.59 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3dy5 h ILE 10 CO -0.25 0.00 -0.04 0.15 0.00 0.00 0.00 178.15 178.01 3dy5 h PHE 11 N 0.00 -0.10 -0.22 1.37 3.57 -1.14 -3.20 116.94 117.21 3dy5 h PHE 11 Ca 0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 3dy5 h PHE 11 Cb 0.12 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3dy5 h PHE 11 CO 0.00 0.44 0.17 0.78 -2.23 0.00 0.00 178.31 177.47 3dy5 h GLY 12 N -0.79 0.00 -2.18 2.40 0.00 -1.54 -1.68 103.07 99.28 3dy5 h GLY 12 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3dy5 h GLY 12 CO 0.02 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.74 3dy5 n GLU 13 N -4.40 0.83 0.00 4.80 1.02 -0.72 0.05 120.64 122.23 3dy5 n GLU 13 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3dy5 n GLU 13 Cb 0.31 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 3dy5 n GLU 13 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3dy5 n LYS 14 N 0.73 0.00 0.00 3.49 4.81 -1.04 -4.96 118.16 121.19 3dy5 n LYS 14 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3dy5 n LYS 14 Cb 0.42 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.47 3dy5 n LYS 14 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3dy5 n TYR 15 N 0.00 0.00 0.00 5.64 4.02 -0.66 -5.14 117.16 121.02 3dy5 n TYR 15 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3dy5 n TYR 15 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3dy5 n TYR 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dy5 n GLY 16 N 0.65 -0.82 0.38 2.72 0.00 0.11 -4.42 105.19 103.81 3dy5 n GLY 16 Ca 0.00 -1.41 0.17 0.00 0.00 0.00 0.00 46.02 44.78 3dy5 n GLY 16 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3dy5 h GLN 17 N 0.00 0.28 0.00 1.61 5.75 -1.93 -0.56 115.11 120.26 3dy5 h GLN 17 Ca 0.00 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3dy5 h GLN 17 Cb 0.00 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.49 3dy5 h GLN 17 CO 0.00 0.18 -0.08 1.49 -2.65 0.00 0.00 178.83 177.77 3dy5 h GLU 18 N 0.29 0.00 0.00 1.69 4.57 -1.96 -1.23 114.58 117.94 3dy5 h GLU 18 Ca 0.33 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 58.27 3dy5 h GLU 18 Cb 0.89 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.45 3dy5 h GLU 18 CO -0.08 0.08 -1.36 -1.91 -1.18 0.00 0.00 179.01 174.57 3dy5 n GLU 19 N -3.95 0.56 -0.35 1.92 4.07 -0.27 -3.36 120.64 119.27 3dy5 n GLU 19 Ca -0.02 0.55 0.17 0.00 -0.06 0.00 0.00 57.16 57.79 3dy5 n GLU 19 Cb 0.17 -1.72 0.38 0.00 -0.06 0.00 0.00 31.44 30.21 3dy5 n GLU 19 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3dy5 h LEU 20 N -1.00 0.69 -0.93 4.31 5.85 -1.39 0.48 115.31 123.32 3dy5 h LEU 20 Ca -0.37 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3dy5 h LEU 20 Cb 1.31 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3dy5 h LEU 20 CO -0.22 0.13 0.00 -0.33 -0.34 0.00 0.00 178.44 177.68 3dy5 h GLU 21 N 0.61 0.00 0.00 1.25 5.08 -1.38 -2.87 114.58 117.27 3dy5 h GLU 21 Ca 0.63 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.79 3dy5 h GLU 21 Cb 1.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 3dy5 h GLU 21 CO -0.46 0.00 -1.60 1.17 -1.00 0.00 0.00 179.01 177.12 3dy5 n LYS 22 N -3.07 0.63 0.00 2.33 4.81 0.13 -3.55 118.16 119.44 3dy5 n LYS 22 Ca 0.02 0.19 0.14 0.00 -0.87 0.00 0.00 58.31 57.79 3dy5 n LYS 22 Cb 0.38 -1.76 0.52 0.00 0.02 0.00 0.00 35.03 34.20 3dy5 n LYS 22 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3dy5 n ARG 23 N -2.87 0.20 0.01 1.64 5.12 0.11 -1.59 116.66 119.28 3dy5 n ARG 23 Ca -0.13 -0.06 -0.01 0.00 -1.93 0.00 0.00 57.85 55.72 3dy5 n ARG 23 Cb 0.90 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 30.70 3dy5 n ARG 23 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3dy5 h ILE 24 N 0.14 0.00 -0.93 0.55 1.08 -1.62 -3.26 117.51 113.46 3dy5 h ILE 24 Ca 0.00 -0.13 0.27 0.00 -0.39 0.00 0.00 64.86 64.61 3dy5 h ILE 24 Cb 0.45 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.17 3dy5 h ILE 24 CO 0.00 0.00 0.92 0.50 -0.69 0.00 0.00 178.15 178.88 3dy5 h LYS 25 N -0.19 0.00 -0.06 2.37 3.64 -1.60 0.22 116.57 120.95 3dy5 h LYS 25 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3dy5 h LYS 25 Cb 0.04 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3dy5 h LYS 25 CO 0.01 0.00 0.01 -0.44 -2.27 0.00 0.00 179.45 176.75 3dy5 h ASP 26 N 0.00 0.10 0.97 4.20 3.45 -1.40 -3.02 116.42 120.72 3dy5 h ASP 26 Ca 0.44 -0.28 0.00 0.00 0.43 0.00 0.00 57.03 57.62 3dy5 h ASP 26 Cb 2.27 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 41.02 3dy5 h ASP 26 CO -0.00 0.36 0.00 -0.62 -1.57 0.00 0.00 179.24 177.40 3dy5 n GLU 27 N -4.88 0.16 -0.37 3.56 -0.58 0.74 -3.10 120.64 116.17 3dy5 n GLU 27 Ca -0.07 0.27 0.08 0.00 -0.42 0.00 0.00 57.16 57.02 3dy5 n GLU 27 Cb 0.17 -1.74 0.26 0.00 -0.57 0.00 0.00 31.44 29.56 3dy5 n GLU 27 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3dy5 n HIS 28 N -2.02 0.93 -4.74 -0.32 8.25 -0.99 -4.88 115.22 111.46 3dy5 n HIS 28 Ca 0.04 -0.41 -0.26 0.00 -0.26 0.00 0.00 57.72 56.83 3dy5 n HIS 28 Cb 0.30 -0.10 -0.14 0.00 1.12 0.00 0.00 29.99 31.17 3dy5 n HIS 28 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3dy5 s THR 29 N -1.51 1.70 -0.05 1.59 -4.23 -1.18 -4.96 115.64 107.01 3dy5 s THR 29 Ca 0.38 -1.16 -0.30 0.00 -1.18 0.00 0.00 61.69 59.43 3dy5 s THR 29 Cb 0.22 -1.46 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 3dy5 s THR 29 CO 0.22 0.27 1.41 -2.16 -0.54 0.00 0.00 174.62 173.82 3dy5 s PRO 30 N -1.05 4.25 1.08 3.99 0.04 -1.26 -5.02 135.00 137.03 3dy5 s PRO 30 Ca 0.08 1.93 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 3dy5 s PRO 30 Cb -0.09 -3.71 0.23 0.00 0.04 0.00 0.00 34.50 30.98 3dy5 s PRO 30 CO 0.01 -0.66 1.01 -0.35 0.04 0.00 0.00 177.00 177.06 3dy5 n PRO 31 N 6.03 -1.70 -2.49 0.56 -0.04 -1.26 -4.98 135.00 131.11 3dy5 n PRO 31 Ca 0.14 -0.45 -0.41 0.00 -0.04 0.00 0.00 63.50 62.74 3dy5 n PRO 31 Cb 0.44 -2.22 -0.04 0.00 -0.04 0.00 0.00 33.50 31.64 3dy5 n PRO 31 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3dy5 s PRO 32 N -4.43 4.57 0.00 0.54 0.02 -1.26 -5.03 135.00 129.41 3dy5 s PRO 32 Ca 0.67 1.74 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3dy5 s PRO 32 Cb -0.24 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.00 3dy5 s PRO 32 CO 0.63 0.02 0.00 -0.25 -0.33 0.00 0.00 177.00 177.07 3dy5 n ASP 33 N 2.53 -0.67 -2.81 2.53 8.00 -1.26 -4.88 116.55 119.99 3dy5 n ASP 33 Ca 0.03 -0.29 -0.07 0.00 0.71 0.00 0.00 54.79 55.17 3dy5 n ASP 33 Cb 0.46 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.57 3dy5 n ASP 33 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3dy5 n SER 34 N -1.86 -2.99 0.00 -2.24 7.64 -1.26 -4.99 113.62 107.92 3dy5 n SER 34 Ca 0.00 -2.99 0.02 0.00 1.01 0.00 0.00 58.87 56.91 3dy5 n SER 34 Cb 0.00 1.55 0.13 0.00 -1.01 0.00 0.00 64.21 64.88 3dy5 n SER 34 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3dy5 n PRO 35 N 2.49 0.42 0.00 1.43 -0.04 -1.26 -1.84 135.00 136.20 3dy5 n PRO 35 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 3dy5 n PRO 35 Cb 0.57 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 3dy5 n PRO 35 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3dy5 n VAL 36 N -0.66 0.00 -0.27 0.52 0.24 -1.26 -4.88 118.33 112.01 3dy5 n VAL 36 Ca 0.03 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.44 3dy5 n VAL 36 Cb 0.01 -0.38 0.31 0.00 -1.47 0.00 0.00 33.84 32.32 3dy5 n VAL 36 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3dy5 n PHE 37 N -2.26 1.06 -0.03 6.34 3.01 -1.25 -4.41 117.46 119.92 3dy5 n PHE 37 Ca 0.00 -0.49 -0.10 0.00 1.01 0.00 0.00 57.45 57.87 3dy5 n PHE 37 Cb 0.00 -0.06 -0.09 0.00 -0.01 0.00 0.00 39.48 39.32 3dy5 n PHE 37 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3dy5 h GLY 38 N 4.44 -0.06 -0.33 1.37 0.00 -1.62 -2.73 103.07 104.15 3dy5 h GLY 38 Ca 0.00 0.02 0.28 0.00 0.00 0.00 0.00 47.33 47.64 3dy5 h GLY 38 CO 0.06 -0.02 0.59 -1.33 0.00 0.00 0.00 176.54 175.84 3dy5 h GLY 39 N -0.93 1.95 0.00 4.60 0.00 -1.76 -2.07 103.07 104.86 3dy5 h GLY 39 Ca -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3dy5 h GLY 39 CO 0.01 -0.36 -0.07 1.41 0.00 0.00 0.00 176.54 177.53 3dy5 h LEU 40 N 0.45 0.00 -0.93 3.11 3.38 -1.84 -2.93 115.31 116.55 3dy5 h LEU 40 Ca 0.69 -0.26 0.16 0.00 0.09 0.00 0.00 57.88 58.55 3dy5 h LEU 40 Cb 1.46 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 42.05 3dy5 h LEU 40 CO -0.53 0.67 -0.32 0.29 0.09 0.00 0.00 178.44 178.65 3dy5 n LYS 41 N -4.72 -0.17 -0.12 1.13 5.02 -1.03 0.25 118.16 118.53 3dy5 n LYS 41 Ca -0.04 1.44 -0.12 0.00 -2.02 0.00 0.00 58.31 57.57 3dy5 n LYS 41 Cb 0.16 -2.14 -0.09 0.00 -0.02 0.00 0.00 35.03 32.94 3dy5 n LYS 41 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3dy5 h LEU 42 N 0.00 -1.60 -0.52 -0.35 5.85 -1.42 0.20 115.31 117.47 3dy5 h LEU 42 Ca 0.37 0.21 0.10 0.00 0.84 0.00 0.00 57.88 59.40 3dy5 h LEU 42 Cb 0.60 0.65 -0.09 0.00 0.37 0.00 0.00 40.66 42.19 3dy5 h LEU 42 CO -0.94 -0.35 -0.03 0.50 -0.34 0.00 0.00 178.44 177.29 3dy5 h LYS 43 N -0.35 0.09 -0.13 1.25 3.64 -0.01 0.23 116.57 121.30 3dy5 h LYS 43 Ca 0.06 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 3dy5 h LYS 43 Cb 0.51 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3dy5 h LYS 43 CO -0.51 0.06 -0.42 1.37 -2.27 0.00 0.00 179.45 177.68 3dy5 h LEU 44 N 0.09 0.30 -0.01 5.20 8.10 0.21 -0.61 115.31 128.59 3dy5 h LEU 44 Ca 0.26 -0.13 -0.00 0.00 0.11 0.00 0.00 57.88 58.12 3dy5 h LEU 44 Cb 0.40 -0.08 -0.00 0.00 -0.44 0.00 0.00 40.66 40.54 3dy5 h LEU 44 CO -0.46 0.69 -0.00 0.11 -4.11 0.00 0.00 178.44 174.67 3dy5 h LYS 45 N 0.24 0.02 -1.08 0.17 1.79 0.33 0.36 116.57 118.40 3dy5 h LYS 45 Ca 0.02 -0.01 0.39 0.00 -2.18 0.00 0.00 60.65 58.88 3dy5 h LYS 45 Cb 0.84 -0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.33 3dy5 h LYS 45 CO 0.07 0.34 0.63 0.87 -1.08 0.00 0.00 179.45 180.27 3dy5 h LYS 46 N -0.30 0.12 0.35 3.15 1.57 -0.06 0.26 116.57 121.66 3dy5 h LYS 46 Ca 0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3dy5 h LYS 46 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3dy5 h LYS 46 CO 0.00 0.08 -0.17 0.93 -0.57 0.00 0.00 179.45 179.72 3dy5 h GLU 47 N 0.13 -0.45 -0.87 3.15 4.39 -0.14 -3.01 114.58 117.78 3dy5 h GLU 47 Ca 0.81 0.03 0.21 0.00 0.34 0.00 0.00 59.36 60.75 3dy5 h GLU 47 Cb 2.15 0.10 -0.16 0.00 -0.10 0.00 0.00 28.75 30.73 3dy5 h GLU 47 CO -0.63 -0.15 -0.08 1.17 -1.16 0.00 0.00 179.01 178.16 3dy5 n LYS 48 N -5.11 -0.07 0.10 2.33 0.00 0.12 -0.78 118.16 114.75 3dy5 n LYS 48 Ca -0.08 1.33 -0.23 0.00 0.00 0.00 0.00 58.31 59.33 3dy5 n LYS 48 Cb 0.26 -2.06 -0.15 0.00 0.00 0.00 0.00 35.03 33.08 3dy5 n LYS 48 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 3dy5 h PHE 49 N 0.00 0.81 -0.70 5.64 -1.00 -1.53 -0.24 116.94 119.92 3dy5 h PHE 49 Ca 0.48 -0.58 0.10 0.00 2.81 0.00 0.00 57.97 60.79 3dy5 h PHE 49 Cb 0.91 -0.04 -0.12 0.00 3.61 0.00 0.00 35.95 40.31 3dy5 h PHE 49 CO -0.54 1.45 -0.44 0.87 -1.61 0.00 0.00 178.31 178.04 3dy5 h LYS 50 N -0.05 -0.15 -0.59 1.51 1.57 -0.81 2.04 116.57 120.10 3dy5 h LYS 50 Ca -0.20 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3dy5 h LYS 50 Cb 1.92 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 34.23 3dy5 h LYS 50 CO 0.22 -0.10 0.39 1.15 -0.57 0.00 0.00 179.45 180.53 3dy5 h THR 51 N -0.16 1.14 -0.28 -0.16 2.02 -1.08 -0.27 112.91 114.12 3dy5 h THR 51 Ca 0.21 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 3dy5 h THR 51 Cb 0.55 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3dy5 h THR 51 CO -0.77 0.14 -0.14 0.25 0.37 0.00 0.00 175.52 175.38 3dy5 h LEU 52 N 0.78 0.61 -0.11 2.58 7.12 0.12 -3.13 115.31 123.28 3dy5 h LEU 52 Ca 0.22 -0.41 -0.02 0.00 0.13 0.00 0.00 57.88 57.80 3dy5 h LEU 52 Cb -0.08 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 39.88 3dy5 h LEU 52 CO -0.05 0.88 -0.10 -0.26 -0.13 0.00 0.00 178.44 178.78 3dy5 h PHE 53 N 0.34 0.00 0.14 1.25 0.05 0.32 -2.33 116.94 116.70 3dy5 h PHE 53 Ca 0.06 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.85 3dy5 h PHE 53 Cb 0.65 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.60 3dy5 h PHE 53 CO 0.06 0.10 -0.13 1.15 -0.18 0.00 0.00 178.31 179.31 3dy5 h THR 54 N 0.00 0.00 -1.04 -1.55 2.02 -1.00 0.26 112.91 111.60 3dy5 h THR 54 Ca -0.00 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.44 3dy5 h THR 54 Cb 1.03 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.35 3dy5 h THR 54 CO 0.01 0.00 0.66 0.25 0.37 0.00 0.00 175.52 176.81 3dy5 h LEU 55 N -0.26 0.49 -2.02 2.58 5.85 -1.58 0.72 115.31 121.08 3dy5 h LEU 55 Ca -0.02 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3dy5 h LEU 55 Cb 0.22 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3dy5 h LEU 55 CO -0.01 0.09 -0.08 1.23 -0.34 0.00 0.00 178.44 179.33 3dy5 h GLY 56 N 0.43 0.00 0.00 3.75 0.00 -0.82 -2.01 103.07 104.42 3dy5 h GLY 56 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 3dy5 h GLY 56 CO -0.33 0.00 -1.39 -0.37 0.00 0.00 0.00 176.54 174.45 3dy5 n THR 57 N -3.43 0.00 0.00 4.70 5.66 0.21 -4.19 114.28 117.24 3dy5 n THR 57 Ca -0.02 -0.27 -0.13 0.00 -3.05 0.00 0.00 64.05 60.59 3dy5 n THR 57 Cb 0.22 0.49 -0.10 0.00 -1.55 0.00 0.00 70.33 69.39 3dy5 n THR 57 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 3dy5 h THR 58 N 0.00 1.28 0.00 1.09 2.02 0.07 -1.65 112.91 115.71 3dy5 h THR 58 Ca 0.00 -1.30 -0.03 0.00 0.77 0.00 0.00 66.41 65.85 3dy5 h THR 58 Cb 0.65 2.11 -0.00 0.00 -1.74 0.00 0.00 68.15 69.17 3dy5 h THR 58 CO 0.00 0.32 -0.12 -0.07 0.37 0.00 0.00 175.52 176.01 3dy5 h LEU 59 N -0.67 0.00 0.00 2.58 3.38 -1.61 -0.94 115.31 118.05 3dy5 h LEU 59 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dy5 h LEU 59 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3dy5 h LEU 59 CO 0.01 0.12 0.00 0.29 0.09 0.00 0.00 178.44 178.96 3dy5 n LYS 60 N -3.74 0.46 -2.46 1.13 4.76 -1.22 -4.93 118.16 112.16 3dy5 n LYS 60 Ca -0.02 0.02 -0.05 0.00 -2.87 0.00 0.00 58.31 55.39 3dy5 n LYS 60 Cb 0.23 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.95 3dy5 n LYS 60 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dy5 n GLY 61 N 1.03 0.23 3.13 0.72 0.00 -0.36 -3.67 105.19 106.28 3dy5 n GLY 61 Ca 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3dy5 n GLY 61 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dy5 n PHE 62 N -2.06 0.00 -1.81 1.61 3.72 -0.63 -4.97 117.46 113.32 3dy5 n PHE 62 Ca -0.08 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.02 3dy5 n PHE 62 Cb 0.55 -1.90 0.04 0.00 -0.94 0.00 0.00 39.48 37.23 3dy5 n PHE 62 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3dy5 s ARG 63 N -1.82 2.92 -0.17 -1.08 0.52 -1.24 -4.68 118.95 113.40 3dy5 s ARG 63 Ca 0.00 0.59 -0.38 0.00 -0.52 0.00 0.00 55.73 55.42 3dy5 s ARG 63 Cb 0.00 -2.02 -0.15 0.00 0.52 0.00 0.00 34.95 33.30 3dy5 s ARG 63 CO 0.00 -1.02 1.72 2.89 0.02 0.00 0.00 175.30 178.91 3dy5 n ARG 64 N -3.02 1.44 0.00 3.54 1.85 -1.26 -4.84 116.66 114.37 3dy5 n ARG 64 Ca 0.07 0.53 0.00 0.00 -1.00 0.00 0.00 57.85 57.44 3dy5 n ARG 64 Cb 0.56 -2.25 0.00 0.00 -1.05 0.00 0.00 32.46 29.73 3dy5 n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3dy5 n ALA 65 N 5.23 -0.13 -2.30 2.89 0.00 -1.26 -3.72 120.51 121.23 3dy5 n ALA 65 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.38 3dy5 n ALA 65 Cb 0.18 0.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 3dy5 n ALA 65 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3dy5 s THR 66 N -2.02 4.86 -1.11 0.00 -4.23 -1.26 -4.40 115.64 107.49 3dy5 s THR 66 Ca 0.00 0.46 -0.07 0.00 -1.18 0.00 0.00 61.69 60.90 3dy5 s THR 66 Cb 0.00 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 3dy5 s THR 66 CO 0.00 -0.42 0.90 1.41 -0.54 0.00 0.00 174.62 175.97 3dy5 n HIS 67 N -1.08 -2.30 0.00 3.99 -0.00 0.12 -4.98 115.22 110.96 3dy5 n HIS 67 Ca 0.01 0.81 0.00 0.00 -0.00 0.00 0.00 57.72 58.54 3dy5 n HIS 67 Cb 0.54 -4.21 0.00 0.00 -0.00 0.00 0.00 29.99 26.31 3dy5 n HIS 67 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 3dy5 n THR 68 N -3.60 0.00 -3.26 1.59 -1.04 -1.22 -4.77 114.28 101.98 3dy5 n THR 68 Ca -0.13 1.16 -0.39 0.00 -2.04 0.00 0.00 64.05 62.65 3dy5 n THR 68 Cb 0.63 -2.15 -0.06 0.00 -1.82 0.00 0.00 70.33 66.93 3dy5 n THR 68 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3dy5 s VAL 69 N -1.63 4.89 0.11 12.58 -7.23 -1.26 -4.69 120.40 123.17 3dy5 s VAL 69 Ca 0.00 1.18 -0.04 0.00 -1.81 0.00 0.00 61.98 61.30 3dy5 s VAL 69 Cb 0.00 -3.89 0.02 0.00 0.56 0.00 0.00 36.38 33.06 3dy5 s VAL 69 CO 0.00 0.46 0.23 0.61 -0.31 0.00 0.00 175.10 176.10 3dy5 n GLY 70 N 2.25 1.68 0.00 2.32 0.00 -1.26 -2.99 105.19 107.18 3dy5 n GLY 70 Ca -0.09 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3dy5 n GLY 70 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3dy5 n THR 71 N -0.16 0.00 0.00 2.61 5.66 -0.26 -5.01 114.28 117.13 3dy5 n THR 71 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 3dy5 n THR 71 Cb 0.17 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 3dy5 n THR 71 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3dy5 n GLY 72 N 2.56 2.16 3.28 1.09 0.00 -1.26 -2.88 105.19 110.15 3dy5 n GLY 72 Ca 0.00 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 3dy5 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dy5 n GLY 73 N -1.26 1.80 3.73 -0.02 0.00 -0.92 -1.87 105.19 106.65 3dy5 n GLY 73 Ca 0.00 -1.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 3dy5 n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dy5 s ILE 74 N -2.59 4.35 0.00 -0.61 1.01 -0.26 -1.54 121.20 121.56 3dy5 s ILE 74 Ca 0.23 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3dy5 s ILE 74 Cb -0.02 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.43 3dy5 s ILE 74 CO 0.17 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.98 3dy5 n GLY 75 N 0.96 1.15 3.27 6.18 0.00 -0.37 0.33 105.19 116.71 3dy5 n GLY 75 Ca -0.12 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 3dy5 n GLY 75 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dy5 s GLU 76 N -0.63 1.41 -0.29 1.61 2.02 0.51 0.19 118.70 123.52 3dy5 s GLU 76 Ca 0.00 -1.00 -0.04 0.00 0.02 0.00 0.00 54.97 53.95 3dy5 s GLU 76 Cb 0.00 -1.56 0.03 0.00 0.10 0.00 0.00 34.13 32.70 3dy5 s GLU 76 CO 0.00 0.39 0.02 0.42 0.02 0.00 0.00 175.26 176.11 3dy5 s ILE 77 N -0.85 3.33 -0.23 -1.63 1.01 0.10 -0.90 121.20 122.02 3dy5 s ILE 77 Ca 0.08 -1.05 -0.09 0.00 0.00 0.00 0.00 60.65 59.59 3dy5 s ILE 77 Cb -0.09 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 3dy5 s ILE 77 CO 0.02 0.03 0.12 -0.89 0.00 0.00 0.00 174.94 174.22 3dy5 s THR 78 N 1.36 5.02 0.34 2.92 2.01 -0.97 -0.42 115.64 125.90 3dy5 s THR 78 Ca -0.01 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.76 3dy5 s THR 78 Cb -0.18 -3.33 -0.11 0.00 0.01 0.00 0.00 72.50 68.90 3dy5 s THR 78 CO -0.01 0.37 1.38 -0.63 -0.69 0.00 0.00 174.62 175.04 3dy5 s ILE 79 N 1.03 2.49 0.62 1.82 -1.09 -1.26 -1.15 121.20 123.65 3dy5 s ILE 79 Ca 0.06 0.48 -0.18 0.00 -2.23 0.00 0.00 60.65 58.78 3dy5 s ILE 79 Cb -0.14 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.39 3dy5 s ILE 79 CO 0.04 0.11 0.95 0.55 -1.23 0.00 0.00 174.94 175.36 3dy5 n VAL 80 N 0.83 3.72 0.00 2.92 3.14 -0.21 -3.75 118.33 124.98 3dy5 n VAL 80 Ca 0.01 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 3dy5 n VAL 80 Cb 0.41 -1.13 0.00 0.00 -1.06 0.00 0.00 33.84 32.06 3dy5 n VAL 80 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3dy5 n ASN 81 N -0.85 0.00 -4.29 6.55 3.02 -1.26 -3.82 115.26 114.60 3dy5 n ASN 81 Ca 0.14 0.52 -0.42 0.00 -0.03 0.00 0.00 54.58 54.79 3dy5 n ASN 81 Cb 0.48 -0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 39.54 3dy5 n ASN 81 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dy5 s ASP 82 N -2.56 5.81 0.48 6.41 2.15 -1.26 -4.58 116.67 123.12 3dy5 s ASP 82 Ca 0.00 -1.55 -0.18 0.00 0.43 0.00 0.00 52.55 51.24 3dy5 s ASP 82 Cb 0.00 -2.05 -0.09 0.00 -0.30 0.00 0.00 42.92 40.48 3dy5 s ASP 82 CO 0.00 -0.61 0.97 -2.16 -0.17 0.00 0.00 175.17 173.20 3dy5 s PRO 83 N 1.48 4.06 -0.00 4.34 0.04 -1.26 -5.00 135.00 138.65 3dy5 s PRO 83 Ca 0.04 1.02 0.03 0.00 0.04 0.00 0.00 61.00 62.13 3dy5 s PRO 83 Cb -0.24 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 3dy5 s PRO 83 CO 0.03 -0.18 0.09 1.63 0.04 0.00 0.00 177.00 178.61 3dy5 n LYS 84 N -1.21 1.96 -1.93 4.56 4.76 -1.26 -5.03 118.16 120.00 3dy5 n LYS 84 Ca 0.07 -0.02 -0.33 0.00 -2.87 0.00 0.00 58.31 55.16 3dy5 n LYS 84 Cb 0.54 -0.94 0.02 0.00 -1.84 0.00 0.00 35.03 32.81 3dy5 n LYS 84 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 3dy5 s PHE 85 N -1.93 2.87 0.10 2.13 -0.12 -1.26 -4.97 117.98 114.80 3dy5 s PHE 85 Ca -0.00 1.52 -0.36 0.00 -0.05 0.00 0.00 56.93 58.04 3dy5 s PHE 85 Cb 0.02 -3.06 -0.15 0.00 -0.63 0.00 0.00 43.02 39.20 3dy5 s PHE 85 CO 0.13 -1.31 1.47 -2.30 -0.05 0.00 0.00 175.22 173.17 3dy5 n PRO 86 N -2.20 1.59 -1.42 1.99 -0.02 -1.26 -4.84 135.00 128.85 3dy5 n PRO 86 Ca 0.09 0.58 -0.52 0.00 -2.02 0.00 0.00 63.50 61.63 3dy5 n PRO 86 Cb 0.53 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 3dy5 n PRO 86 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3dy5 n GLU 87 N 3.14 0.00 -4.27 -0.52 1.02 -1.26 -4.83 120.64 113.92 3dy5 n GLU 87 Ca 0.18 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.10 3dy5 n GLU 87 Cb 0.23 -1.19 -0.12 0.00 -0.02 0.00 0.00 31.44 30.34 3dy5 n GLU 87 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3dy5 s HIS 88 N -0.57 1.59 -0.31 -0.32 2.46 -1.26 -1.40 115.29 115.48 3dy5 s HIS 88 Ca 0.74 -0.43 0.01 0.00 0.47 0.00 0.00 55.06 55.86 3dy5 s HIS 88 Cb -1.06 -0.89 0.35 0.00 -0.13 0.00 0.00 32.58 30.86 3dy5 s HIS 88 CO 0.55 0.15 1.70 -0.85 -2.47 0.00 0.00 174.74 173.83 3dy5 n GLU 89 N 1.22 1.83 0.19 2.88 0.28 -1.26 -4.28 120.64 121.50 3dy5 n GLU 89 Ca -0.20 -1.83 0.00 0.00 -0.16 0.00 0.00 57.16 54.97 3dy5 n GLU 89 Cb 0.54 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 31.69 3dy5 n GLU 89 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3dy5 n PHE 90 N -0.29 -3.85 -1.36 -1.84 7.35 -1.26 -4.95 117.46 111.26 3dy5 n PHE 90 Ca 0.36 1.15 -0.42 0.00 -0.76 0.00 0.00 57.45 57.78 3dy5 n PHE 90 Cb 0.99 2.74 -0.04 0.00 0.35 0.00 0.00 39.48 43.53 3dy5 n PHE 90 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3dy5 n PHE 91 N -3.38 2.35 -3.92 -5.13 3.01 -1.26 -4.88 117.46 104.25 3dy5 n PHE 91 Ca 0.00 -2.07 -0.32 0.00 1.01 0.00 0.00 57.45 56.07 3dy5 n PHE 91 Cb 0.00 -1.97 -0.04 0.00 -0.01 0.00 0.00 39.48 37.46 3dy5 n PHE 91 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3dy5 s THR 92 N 4.93 5.38 -0.24 4.37 2.01 -1.26 -4.31 115.64 126.52 3dy5 s THR 92 Ca 0.56 -0.30 -0.05 0.00 0.31 0.00 0.00 61.69 62.21 3dy5 s THR 92 Cb 0.13 -3.57 -0.07 0.00 0.01 0.00 0.00 72.50 69.01 3dy5 s THR 92 CO 0.07 0.23 0.58 0.00 -0.69 0.00 0.00 174.62 174.81 3dy5 n ALA 93 N 0.61 0.17 -1.64 7.40 0.00 -1.26 -0.38 120.51 125.41 3dy5 n ALA 93 Ca -0.08 -0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 3dy5 n ALA 93 Cb 0.52 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 19.37 3dy5 n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dy5 n GLY 94 N 1.43 0.82 3.56 0.00 0.00 -1.25 -4.91 105.19 104.85 3dy5 n GLY 94 Ca 0.16 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 3dy5 n GLY 94 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dy5 n ARG 95 N -2.48 1.79 -2.24 1.61 0.00 0.49 -4.51 116.66 111.31 3dy5 n ARG 95 Ca -0.13 -2.55 -0.39 0.00 -0.00 0.00 0.00 57.85 54.79 3dy5 n ARG 95 Cb 0.47 -3.68 -0.02 0.00 0.00 0.00 0.00 32.46 29.22 3dy5 n ARG 95 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3dy5 s THR 96 N 10.08 3.03 0.23 5.15 -4.23 -1.26 -4.25 115.64 124.39 3dy5 s THR 96 Ca 0.66 0.89 0.11 0.00 -1.18 0.00 0.00 61.69 62.16 3dy5 s THR 96 Cb 0.00 -3.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.29 3dy5 s THR 96 CO 0.13 0.10 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.75 3dy5 s PHE 97 N -1.37 2.11 0.54 3.99 0.40 0.44 -4.98 117.98 119.11 3dy5 s PHE 97 Ca 0.57 -0.40 -0.06 0.00 -0.60 0.00 0.00 56.93 56.44 3dy5 s PHE 97 Cb -0.32 -0.97 -0.02 0.00 0.51 0.00 0.00 43.02 42.22 3dy5 s PHE 97 CO 0.41 0.56 0.85 -1.25 0.70 0.00 0.00 175.22 176.49 3dy5 s PRO 98 N -3.29 3.27 -0.02 0.24 0.04 -1.26 -0.72 135.00 133.26 3dy5 s PRO 98 Ca 0.25 0.14 -0.26 0.00 0.04 0.00 0.00 61.00 61.17 3dy5 s PRO 98 Cb -0.05 -2.31 0.06 0.00 0.04 0.00 0.00 34.50 32.24 3dy5 s PRO 98 CO 0.11 -0.44 0.57 0.00 0.04 0.00 0.00 177.00 177.28 3dy5 s ALA 99 N -2.88 -1.47 0.04 8.56 0.00 0.13 -1.93 121.76 124.22 3dy5 s ALA 99 Ca 0.51 0.94 0.06 0.00 0.00 0.00 0.00 51.96 53.46 3dy5 s ALA 99 Cb -0.10 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3dy5 s ALA 99 CO 0.46 -0.39 -0.12 1.03 0.00 0.00 0.00 175.76 176.74 3dy5 s ARG 100 N -1.55 2.27 0.08 0.00 0.52 -1.18 -1.23 118.95 117.86 3dy5 s ARG 100 Ca -0.10 -0.89 0.06 0.00 -0.52 0.00 0.00 55.73 54.28 3dy5 s ARG 100 Cb -0.01 -2.34 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 3dy5 s ARG 100 CO 0.06 0.56 -0.16 -1.17 0.02 0.00 0.00 175.30 174.60 3dy5 s LEU 101 N -1.60 2.27 -0.17 2.53 0.20 -0.59 -1.34 118.68 119.98 3dy5 s LEU 101 Ca 0.17 -0.62 -0.04 0.00 0.69 0.00 0.00 54.13 54.33 3dy5 s LEU 101 Cb -0.11 -0.63 0.08 0.00 -0.43 0.00 0.00 46.19 45.09 3dy5 s LEU 101 CO 0.08 -0.02 0.17 -0.60 -0.29 0.00 0.00 176.35 175.69 3dy5 s ARG 102 N -1.71 0.12 0.25 1.98 3.52 -0.08 -2.17 118.95 120.86 3dy5 s ARG 102 Ca 0.01 0.20 -0.14 0.00 -0.13 0.00 0.00 55.73 55.67 3dy5 s ARG 102 Cb -0.10 -1.18 -0.08 0.00 -1.56 0.00 0.00 34.95 32.03 3dy5 s ARG 102 CO 0.03 -0.59 0.65 -1.01 -0.81 0.00 0.00 175.30 173.57 3dy5 s HIS 103 N 2.27 3.48 0.29 5.12 3.76 -1.14 -2.39 115.29 126.68 3dy5 s HIS 103 Ca 0.05 1.13 -0.15 0.00 -0.15 0.00 0.00 55.06 55.95 3dy5 s HIS 103 Cb -0.15 -2.45 0.01 0.00 1.11 0.00 0.00 32.58 31.10 3dy5 s HIS 103 CO -0.10 0.25 0.61 0.00 -0.85 0.00 0.00 174.74 174.65 3dy5 s ALA 104 N -1.76 -0.52 -0.17 -1.40 0.00 -1.24 -1.10 121.76 115.57 3dy5 s ALA 104 Ca 0.47 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 3dy5 s ALA 104 Cb -0.13 0.94 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 3dy5 s ALA 104 CO 0.19 -0.93 -0.03 -0.80 0.00 0.00 0.00 175.76 174.20 3dy5 s ASN 105 N -3.02 4.81 0.00 0.00 -0.87 -1.16 -1.89 114.94 112.80 3dy5 s ASN 105 Ca 0.19 -0.15 0.00 0.00 -1.57 0.00 0.00 52.86 51.32 3dy5 s ASN 105 Cb -0.03 -1.80 0.00 0.00 -0.02 0.00 0.00 41.25 39.40 3dy5 s ASN 105 CO 0.10 0.14 0.35 -0.11 -2.57 0.00 0.00 177.10 175.00 3dy5 n LEU 106 N 3.75 0.00 0.01 0.60 7.94 -1.07 -3.45 117.00 124.78 3dy5 n LEU 106 Ca -0.17 0.35 -0.06 0.00 -1.11 0.00 0.00 56.01 55.01 3dy5 n LEU 106 Cb 0.52 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.36 3dy5 n LEU 106 CO 0.32 0.00 -0.31 0.50 -1.11 0.00 0.00 177.39 176.80 3dy5 h LYS 107 N 0.00 0.00 -6.57 1.96 3.64 -1.96 0.36 116.57 114.00 3dy5 h LYS 107 Ca 0.00 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.68 3dy5 h LYS 107 Cb 0.00 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 31.53 3dy5 h LYS 107 CO 0.00 0.54 -0.88 0.71 -2.27 0.00 0.00 179.45 177.55 3dy5 s TYR 108 N -2.70 2.36 -1.22 1.91 2.02 -1.26 -4.95 117.35 113.51 3dy5 s TYR 108 Ca -0.03 -0.43 -0.05 0.00 -0.37 0.00 0.00 57.07 56.19 3dy5 s TYR 108 Cb 0.08 -1.51 0.20 0.00 -0.40 0.00 0.00 41.96 40.33 3dy5 s TYR 108 CO 0.82 -0.03 2.01 -0.35 -1.57 0.00 0.00 175.55 176.43 3dy5 n PRO 109 N 2.44 4.51 -3.56 -1.71 -0.04 -1.26 -4.72 135.00 130.66 3dy5 n PRO 109 Ca -0.16 -3.89 -0.01 0.00 -0.04 0.00 0.00 63.50 59.40 3dy5 n PRO 109 Cb 0.51 -2.65 -0.04 0.00 -0.04 0.00 0.00 33.50 31.27 3dy5 n PRO 109 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3dy5 s ASP 110 N -0.19 -0.90 0.19 3.54 3.68 -1.26 -5.03 116.67 116.69 3dy5 s ASP 110 Ca 0.44 1.26 0.25 0.00 2.13 0.00 0.00 52.55 56.62 3dy5 s ASP 110 Cb 0.14 1.97 0.91 0.00 -1.45 0.00 0.00 42.92 44.49 3dy5 s ASP 110 CO -0.04 -0.18 1.74 0.47 0.13 0.00 0.00 175.17 177.29 3dy5 n ASP 111 N 5.14 0.60 -0.00 -0.34 8.00 -0.87 -3.35 116.55 125.73 3dy5 n ASP 111 Ca -0.12 0.60 -0.06 0.00 0.71 0.00 0.00 54.79 55.92 3dy5 n ASP 111 Cb 0.51 -0.74 -0.12 0.00 -0.02 0.00 0.00 41.12 40.75 3dy5 n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dy5 h ALA 112 N 2.48 0.72 -2.26 2.24 0.00 -1.82 -3.31 119.26 117.31 3dy5 h ALA 112 Ca 0.00 -1.25 -0.48 0.00 0.00 0.00 0.00 54.91 53.17 3dy5 h ALA 112 Cb 0.53 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3dy5 h ALA 112 CO 0.00 1.37 0.20 0.20 0.00 0.00 0.00 179.25 181.02 3dy5 s GLY 113 N -4.99 2.13 0.57 0.00 0.00 -1.21 -3.22 107.32 100.60 3dy5 s GLY 113 Ca -0.04 0.02 -0.19 0.00 0.00 0.00 0.00 44.72 44.52 3dy5 s GLY 113 CO 0.82 0.25 0.84 0.00 0.00 0.00 0.00 173.10 175.01 3dy5 n ALA 114 N -1.03 -0.22 0.00 3.20 0.00 -1.16 -4.08 120.51 117.22 3dy5 n ALA 114 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3dy5 n ALA 114 Cb 0.54 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.97 3dy5 n ALA 114 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dy5 n ASP 115 N -0.23 0.00 -4.76 0.00 -0.08 -1.12 -4.87 116.55 105.50 3dy5 n ASP 115 Ca 0.13 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 53.01 3dy5 n ASP 115 Cb 0.46 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.88 3dy5 n ASP 115 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3dy5 s ALA 116 N -1.34 3.35 -0.02 -1.67 0.00 -1.26 -1.58 121.76 119.25 3dy5 s ALA 116 Ca 0.00 0.92 0.01 0.00 0.00 0.00 0.00 51.96 52.89 3dy5 s ALA 116 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3dy5 s ALA 116 CO 0.00 -0.25 -0.02 1.03 0.00 0.00 0.00 175.76 176.52 3dy5 s ARG 117 N -1.69 2.75 0.32 0.00 1.81 -1.26 -2.61 118.95 118.26 3dy5 s ARG 117 Ca 0.48 -0.61 0.07 0.00 -1.72 0.00 0.00 55.73 53.95 3dy5 s ARG 117 Cb -0.31 -2.63 -0.03 0.00 -0.45 0.00 0.00 34.95 31.53 3dy5 s ARG 117 CO 0.40 0.63 0.31 -1.54 -0.68 0.00 0.00 175.30 174.42 3dy5 s SER 118 N -1.35 5.47 -0.29 0.23 1.04 -0.79 -1.04 113.70 116.97 3dy5 s SER 118 Ca 0.17 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.25 3dy5 s SER 118 Cb -0.11 -1.12 0.18 0.00 0.10 0.00 0.00 66.02 65.07 3dy5 s SER 118 CO 0.08 -0.30 0.51 0.12 0.98 0.00 0.00 173.24 174.62 3dy5 s PHE 119 N -2.24 -1.46 -0.08 5.02 5.36 -0.81 -3.72 117.98 120.06 3dy5 s PHE 119 Ca 0.40 0.88 0.04 0.00 -0.96 0.00 0.00 56.93 57.29 3dy5 s PHE 119 Cb -0.07 0.16 0.00 0.00 -0.34 0.00 0.00 43.02 42.78 3dy5 s PHE 119 CO 0.27 -1.00 -0.19 -1.54 -1.46 0.00 0.00 175.22 171.30 3dy5 s SER 120 N 2.71 2.49 0.13 6.13 1.04 -1.01 -1.27 113.70 123.93 3dy5 s SER 120 Ca 0.11 -0.44 0.09 0.00 0.48 0.00 0.00 55.95 56.19 3dy5 s SER 120 Cb -0.12 -1.06 -0.04 0.00 0.10 0.00 0.00 66.02 64.90 3dy5 s SER 120 CO -0.26 0.12 -0.20 0.27 0.98 0.00 0.00 173.24 174.14 3dy5 s ILE 121 N 0.39 1.80 -0.14 -1.02 -4.36 0.80 -0.91 121.20 117.77 3dy5 s ILE 121 Ca -0.15 -1.71 0.02 0.00 -0.26 0.00 0.00 60.65 58.55 3dy5 s ILE 121 Cb -0.16 -1.71 0.01 0.00 1.25 0.00 0.00 42.46 41.85 3dy5 s ILE 121 CO 0.06 -0.15 -0.21 -0.75 0.24 0.00 0.00 174.94 174.13 3dy5 s LYS 122 N -2.28 3.05 0.00 0.37 2.20 -0.45 -1.38 119.74 121.24 3dy5 s LYS 122 Ca 0.11 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 3dy5 s LYS 122 Cb -0.08 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.78 3dy5 s LYS 122 CO 0.05 -0.00 0.45 1.19 -0.36 0.00 0.00 175.35 176.69 3dy5 n PHE 123 N 4.04 0.00 -3.65 4.03 3.72 -0.10 -3.10 117.46 122.40 3dy5 n PHE 123 Ca -0.20 -0.19 -0.13 0.00 -0.05 0.00 0.00 57.45 56.88 3dy5 n PHE 123 Cb 0.52 -0.15 -0.06 0.00 -0.94 0.00 0.00 39.48 38.85 3dy5 n PHE 123 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dy5 s ALA 124 N 0.09 -1.05 -1.11 4.37 0.00 -0.81 -4.53 121.76 118.72 3dy5 s ALA 124 Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.23 3dy5 s ALA 124 Cb 0.00 0.39 0.29 0.00 0.00 0.00 0.00 23.12 23.79 3dy5 s ALA 124 CO 0.00 -0.48 1.61 -3.47 0.00 0.00 0.00 175.76 173.42 3dy5 n ASP 125 N 0.42 6.43 -4.06 0.00 4.64 -1.25 -3.09 116.55 119.63 3dy5 n ASP 125 Ca -0.18 -3.40 -0.09 0.00 -1.38 0.00 0.00 54.79 49.74 3dy5 n ASP 125 Cb 0.60 -1.29 -0.10 0.00 -1.04 0.00 0.00 41.12 39.29 3dy5 n ASP 125 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 3dy5 s SER 126 N -1.32 0.52 0.61 1.67 1.04 -1.26 -5.03 113.70 109.93 3dy5 s SER 126 Ca 0.34 -0.79 0.34 0.00 0.48 0.00 0.00 55.95 56.32 3dy5 s SER 126 Cb 0.08 0.14 1.97 0.00 0.10 0.00 0.00 66.02 68.31 3dy5 s SER 126 CO 0.06 -0.45 2.27 0.44 0.98 0.00 0.00 173.24 176.54 3dy5 h ASP 127 N 3.75 0.00 -2.68 7.02 5.19 -1.94 -3.46 116.42 124.31 3dy5 h ASP 127 Ca -0.34 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.12 3dy5 h ASP 127 Cb 1.17 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 3dy5 h ASP 127 CO 0.55 0.01 0.38 -1.54 -3.12 0.00 0.00 179.24 175.52 3dy5 n SER 128 N -3.58 -1.95 0.00 6.45 3.41 -1.26 -2.50 113.62 114.19 3dy5 n SER 128 Ca -0.03 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.35 3dy5 n SER 128 Cb 0.10 3.22 0.00 0.00 -0.26 0.00 0.00 64.21 67.26 3dy5 n SER 128 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3dy5 n ASP 129 N -1.40 0.00 0.00 4.04 10.43 -1.26 -5.02 116.55 123.34 3dy5 n ASP 129 Ca -0.06 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.30 3dy5 n ASP 129 Cb 0.55 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.51 3dy5 n ASP 129 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dy5 n GLY 130 N 0.00 -0.50 0.14 0.44 0.00 -1.26 -4.84 105.19 99.18 3dy5 n GLY 130 Ca 0.00 -2.20 -0.23 0.00 0.00 0.00 0.00 46.02 43.59 3dy5 n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dy5 h PRO 131 N 3.39 0.40 -1.83 1.61 0.13 -1.89 -3.45 132.00 130.36 3dy5 h PRO 131 Ca 0.00 -0.68 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 3dy5 h PRO 131 Cb 0.00 0.25 -0.23 0.00 0.13 0.00 0.00 31.00 31.15 3dy5 h PRO 131 CO 0.00 1.33 0.27 -1.17 -0.23 0.00 0.00 178.00 178.19 3dy5 s LEU 132 N -7.37 -0.62 0.14 1.56 2.96 -1.24 -2.21 118.68 111.89 3dy5 s LEU 132 Ca -0.16 1.20 0.11 0.00 -0.22 0.00 0.00 54.13 55.06 3dy5 s LEU 132 Cb 0.05 2.22 -0.04 0.00 0.50 0.00 0.00 46.19 48.92 3dy5 s LEU 132 CO 0.86 -0.21 -0.26 -1.81 -1.32 0.00 0.00 176.35 173.61 3dy5 s ASP 133 N 0.33 3.23 -0.15 3.68 1.01 -0.02 -0.92 116.67 123.82 3dy5 s ASP 133 Ca 0.01 -0.76 -0.01 0.00 0.71 0.00 0.00 52.55 52.50 3dy5 s ASP 133 Cb -0.05 -0.21 0.04 0.00 1.01 0.00 0.00 42.92 43.71 3dy5 s ASP 133 CO -0.02 0.15 -0.04 -0.63 0.21 0.00 0.00 175.17 174.84 3dy5 s ILE 134 N -1.18 0.98 -0.28 0.77 1.01 -0.48 -4.83 121.20 117.18 3dy5 s ILE 134 Ca 0.14 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 3dy5 s ILE 134 Cb -0.10 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.24 3dy5 s ILE 134 CO 0.06 0.14 0.03 0.68 0.00 0.00 0.00 174.94 175.86 3dy5 s VAL 135 N 1.70 3.52 0.23 2.92 -7.23 -1.26 -0.14 120.40 120.13 3dy5 s VAL 135 Ca 0.02 -0.89 0.09 0.00 -1.81 0.00 0.00 61.98 59.38 3dy5 s VAL 135 Cb -0.15 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 3dy5 s VAL 135 CO -0.08 0.08 -0.05 -0.04 -0.31 0.00 0.00 175.10 174.70 3dy5 s MET 136 N 1.41 2.17 0.24 4.82 -1.94 -0.40 -4.58 119.30 121.02 3dy5 s MET 136 Ca 0.01 -1.36 0.04 0.00 -1.71 0.00 0.00 55.69 52.67 3dy5 s MET 136 Cb -0.17 -2.15 -0.05 0.00 2.01 0.00 0.00 34.83 34.46 3dy5 s MET 136 CO -0.00 0.40 -0.01 -0.80 -0.01 0.00 0.00 175.02 174.60 3dy5 s ASN 137 N -3.27 1.94 0.24 3.03 0.01 -0.10 -1.92 114.94 114.88 3dy5 s ASN 137 Ca 0.28 -1.22 -0.30 0.00 -0.71 0.00 0.00 52.86 50.92 3dy5 s ASN 137 Cb -0.07 -0.01 -0.09 0.00 0.41 0.00 0.00 41.25 41.49 3dy5 s ASN 137 CO 0.18 -0.50 1.18 0.42 -1.51 0.00 0.00 177.10 176.87 3dy5 s THR 138 N -3.37 3.41 0.00 1.60 -4.23 -0.21 0.14 115.64 112.98 3dy5 s THR 138 Ca 0.29 1.29 0.00 0.00 -1.18 0.00 0.00 61.69 62.09 3dy5 s THR 138 Cb 0.06 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 70.07 3dy5 s THR 138 CO 0.09 0.25 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 3dy5 n GLY 139 N 1.68 2.17 0.03 3.99 0.00 -1.24 -4.35 105.19 107.46 3dy5 n GLY 139 Ca 0.02 -1.01 0.01 0.00 0.00 0.00 0.00 46.02 45.04 3dy5 n GLY 139 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3dy5 n GLU 140 N 1.10 0.01 -3.52 1.61 0.28 -1.26 -4.50 120.64 114.37 3dy5 n GLU 140 Ca 0.00 0.33 -0.14 0.00 -0.16 0.00 0.00 57.16 57.19 3dy5 n GLU 140 Cb 0.00 -1.78 -0.05 0.00 1.43 0.00 0.00 31.44 31.04 3dy5 n GLU 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3dy5 s ALA 141 N -2.68 -1.80 0.55 -1.84 0.00 -1.26 -4.76 121.76 109.96 3dy5 s ALA 141 Ca -0.00 1.24 -0.03 0.00 0.00 0.00 0.00 51.96 53.17 3dy5 s ALA 141 Cb 0.01 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.11 3dy5 s ALA 141 CO 0.02 -0.45 0.82 1.21 0.00 0.00 0.00 175.76 177.36 3dy5 s ASN 142 N -1.56 5.51 0.00 0.00 3.04 0.22 -4.84 114.94 117.32 3dy5 s ASN 142 Ca -0.04 0.42 0.29 0.00 0.04 0.00 0.00 52.86 53.56 3dy5 s ASN 142 Cb -0.00 -1.43 1.22 0.00 -1.54 0.00 0.00 41.25 39.50 3dy5 s ASN 142 CO 0.02 -1.03 1.84 2.30 -3.04 0.00 0.00 177.10 177.18 3dy5 n ILE 143 N -2.43 0.00 -4.05 -5.21 -5.35 -1.26 -4.22 119.36 96.84 3dy5 n ILE 143 Ca 0.05 -0.18 -0.11 0.00 -0.27 0.00 0.00 62.75 62.23 3dy5 n ILE 143 Cb 0.58 0.26 -0.06 0.00 -1.74 0.00 0.00 39.64 38.69 3dy5 n ILE 143 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 3dy5 s PHE 144 N -2.05 0.66 0.00 4.28 -0.12 -1.26 -4.69 117.98 114.81 3dy5 s PHE 144 Ca 0.39 -0.97 0.00 0.00 -0.05 0.00 0.00 56.93 56.29 3dy5 s PHE 144 Cb 0.21 -0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.60 3dy5 s PHE 144 CO 0.36 -0.96 0.00 -2.67 -0.05 0.00 0.00 175.22 171.89 3dy5 n TRP 145 N -0.40 0.00 -3.89 3.49 2.14 -1.26 -4.52 117.44 113.00 3dy5 n TRP 145 Ca -0.00 0.00 -0.01 0.00 2.07 0.00 0.00 57.50 59.56 3dy5 n TRP 145 Cb 0.63 0.03 0.02 0.00 -0.81 0.00 0.00 31.31 31.17 3dy5 n TRP 145 CO 0.00 0.00 0.00 0.27 2.07 0.00 0.00 177.69 180.03 3dy5 n ASN 146 N 0.00 -1.33 0.02 -0.67 0.23 -1.26 -4.46 115.26 107.79 3dy5 n ASN 146 Ca 0.00 -1.58 -0.14 0.00 -0.53 0.00 0.00 54.58 52.33 3dy5 n ASN 146 Cb 0.19 2.13 -0.08 0.00 -2.08 0.00 0.00 39.78 39.94 3dy5 n ASN 146 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 3dy5 h SER 147 N 1.70 -1.54 -0.68 0.53 0.87 -1.28 -1.44 113.55 111.70 3dy5 h SER 147 Ca -0.22 0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 3dy5 h SER 147 Cb 1.02 0.60 -0.03 0.00 -0.44 0.00 0.00 62.40 63.55 3dy5 h SER 147 CO 0.30 -0.48 0.34 -0.65 -0.53 0.00 0.00 176.83 175.80 3dy5 h PRO 148 N -0.59 0.98 0.00 2.24 0.11 -1.96 -1.52 132.00 131.26 3dy5 h PRO 148 Ca 0.04 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 3dy5 h PRO 148 Cb 0.68 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 3dy5 h PRO 148 CO -0.39 0.77 -0.01 0.66 -0.21 0.00 0.00 178.00 178.81 3dy5 h SER 149 N 0.95 0.00 0.10 -2.05 4.64 -1.92 -2.73 113.55 112.53 3dy5 h SER 149 Ca 0.24 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3dy5 h SER 149 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3dy5 h SER 149 CO -0.03 0.01 -0.05 0.25 -0.87 0.00 0.00 176.83 176.14 3dy5 h LEU 150 N 0.00 -0.11 -1.96 5.97 5.85 -0.30 -3.26 115.31 121.50 3dy5 h LEU 150 Ca -0.00 -0.39 0.12 0.00 0.84 0.00 0.00 57.88 58.45 3dy5 h LEU 150 Cb 0.02 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3dy5 h LEU 150 CO 0.00 0.37 0.32 -0.33 -0.34 0.00 0.00 178.44 178.46 3dy5 h GLU 151 N -0.63 0.05 0.00 1.25 5.08 -1.04 0.50 114.58 119.79 3dy5 h GLU 151 Ca -0.01 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3dy5 h GLU 151 Cb 0.50 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3dy5 h GLU 151 CO 0.02 0.03 -0.04 -0.44 -1.00 0.00 0.00 179.01 177.59 3dy5 h ASP 152 N 0.05 0.00 0.27 1.42 3.32 -1.58 -2.91 116.42 116.99 3dy5 h ASP 152 Ca 0.21 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.93 3dy5 h ASP 152 Cb 0.78 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.29 3dy5 h ASP 152 CO -0.01 0.04 -1.97 0.33 -1.72 0.00 0.00 179.24 175.90 3dy5 n PHE 153 N -4.04 0.77 -0.35 4.55 7.35 0.17 -4.42 117.46 121.49 3dy5 n PHE 153 Ca -0.03 0.24 0.08 0.00 -0.76 0.00 0.00 57.45 56.99 3dy5 n PHE 153 Cb 0.12 -1.13 0.18 0.00 0.35 0.00 0.00 39.48 39.01 3dy5 n PHE 153 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3dy5 h VAL 154 N 0.02 0.02 -0.00 -2.13 2.07 -1.23 -1.09 116.25 113.91 3dy5 h VAL 154 Ca -0.39 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3dy5 h VAL 154 Cb 2.06 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3dy5 h VAL 154 CO 0.06 0.00 -0.17 -0.81 0.02 0.00 0.00 177.57 176.67 3dy5 n PRO 155 N -5.58 0.49 -1.56 1.57 -0.04 -1.26 -4.86 135.00 123.76 3dy5 n PRO 155 Ca 0.18 -0.19 -0.48 0.00 -0.04 0.00 0.00 63.50 62.97 3dy5 n PRO 155 Cb 0.57 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 3dy5 n PRO 155 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3dy5 n VAL 156 N -1.09 0.34 -4.51 0.52 0.31 -0.41 -4.85 118.33 108.63 3dy5 n VAL 156 Ca 0.12 -0.26 -0.24 0.00 -0.01 0.00 0.00 64.34 63.94 3dy5 n VAL 156 Cb 0.30 -1.94 -0.10 0.00 -0.91 0.00 0.00 33.84 31.19 3dy5 n VAL 156 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3dy5 s GLU 157 N 5.58 1.79 0.40 5.55 0.41 -1.26 -4.93 118.70 126.24 3dy5 s GLU 157 Ca 1.02 -2.03 -0.26 0.00 -0.41 0.00 0.00 54.97 53.29 3dy5 s GLU 157 Cb -0.68 -1.00 -0.11 0.00 -1.78 0.00 0.00 34.13 30.56 3dy5 s GLU 157 CO 0.47 -0.23 1.25 -1.91 -0.49 0.00 0.00 175.26 174.35 3dy5 n GLU 158 N -0.82 1.92 0.00 1.61 2.13 -1.26 -2.34 120.64 121.88 3dy5 n GLU 158 Ca -0.05 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.45 3dy5 n GLU 158 Cb 0.66 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 30.05 3dy5 n GLU 158 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dy5 n GLY 159 N 0.84 0.27 0.43 8.31 0.00 -0.64 -4.59 105.19 109.81 3dy5 n GLY 159 Ca 0.06 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 3dy5 n GLY 159 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dy5 h ASP 160 N 1.04 -1.78 -0.96 1.61 3.32 -1.89 -0.89 116.42 116.88 3dy5 h ASP 160 Ca 0.00 0.25 0.25 0.00 0.02 0.00 0.00 57.03 57.56 3dy5 h ASP 160 Cb 0.00 0.76 -0.18 0.00 0.22 0.00 0.00 39.33 40.13 3dy5 h ASP 160 CO 0.00 -0.36 0.02 0.00 -1.72 0.00 0.00 179.24 177.17 3dy5 h ALA 161 N 0.22 1.09 0.59 3.45 0.00 -1.81 0.13 119.26 122.93 3dy5 h ALA 161 Ca 0.12 0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 3dy5 h ALA 161 Cb 0.57 0.57 0.01 0.00 0.00 0.00 0.00 17.79 18.94 3dy5 h ALA 161 CO -0.66 -0.54 -0.28 0.00 0.00 0.00 0.00 179.25 177.77 3dy5 h ALA 162 N 1.94 -0.79 -0.71 0.00 0.00 -0.79 -2.75 119.26 116.17 3dy5 h ALA 162 Ca 0.57 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.40 3dy5 h ALA 162 Cb 1.13 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 19.10 3dy5 h ALA 162 CO -0.89 -0.83 -0.32 1.49 0.00 0.00 0.00 179.25 178.70 3dy5 h GLU 163 N -1.01 -0.10 -0.22 0.00 4.81 -0.11 -0.05 114.58 117.90 3dy5 h GLU 163 Ca -0.08 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3dy5 h GLU 163 Cb 0.66 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 3dy5 h GLU 163 CO 0.13 -0.06 -0.08 1.49 -0.73 0.00 0.00 179.01 179.76 3dy5 h GLU 164 N -0.10 -0.03 0.44 1.92 4.81 -1.01 -3.08 114.58 117.53 3dy5 h GLU 164 Ca 0.28 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3dy5 h GLU 164 Cb 0.56 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3dy5 h GLU 164 CO -0.76 -0.02 -0.41 -0.92 -0.73 0.00 0.00 179.01 176.16 3dy5 h TYR 165 N -0.03 -1.14 0.00 0.92 3.20 -0.75 -2.85 116.97 116.31 3dy5 h TYR 165 Ca 0.11 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3dy5 h TYR 165 Cb 0.20 0.44 0.00 0.00 1.54 0.00 0.00 36.73 38.91 3dy5 h TYR 165 CO -0.25 -0.56 0.45 -0.39 -1.64 0.00 0.00 178.16 175.77 3dy5 h VAL 166 N -0.84 0.00 -0.44 1.81 -1.51 -1.08 0.81 116.25 114.99 3dy5 h VAL 166 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 3dy5 h VAL 166 Cb 0.73 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 3dy5 h VAL 166 CO -0.04 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.08 3dy5 n TYR 167 N -2.57 0.58 1.65 5.19 4.02 -1.08 -3.34 117.16 121.60 3dy5 n TYR 167 Ca -0.01 -0.36 0.15 0.00 -0.01 0.00 0.00 57.90 57.66 3dy5 n TYR 167 Cb 0.48 -0.01 0.65 0.00 -0.02 0.00 0.00 39.34 40.44 3dy5 n TYR 167 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3dy5 n LYS 168 N 1.21 1.45 -3.65 -0.72 5.02 0.28 -4.86 118.16 116.89 3dy5 n LYS 168 Ca 0.18 -0.66 -0.00 0.00 -2.02 0.00 0.00 58.31 55.80 3dy5 n LYS 168 Cb 0.54 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.99 3dy5 n LYS 168 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3dy5 s ASN 169 N -2.01 -0.03 0.15 4.39 3.84 -1.26 -5.02 114.94 115.00 3dy5 s ASN 169 Ca 0.41 0.05 0.16 0.00 0.21 0.00 0.00 52.86 53.69 3dy5 s ASN 169 Cb 0.21 0.46 0.74 0.00 -0.55 0.00 0.00 41.25 42.11 3dy5 s ASN 169 CO 0.35 -0.01 1.51 -0.81 -2.79 0.00 0.00 177.10 175.35 3dy5 n PRO 170 N 2.19 0.09 -0.03 0.43 -0.04 -1.26 -1.61 135.00 134.77 3dy5 n PRO 170 Ca -0.13 0.42 -0.15 0.00 -0.04 0.00 0.00 63.50 63.61 3dy5 n PRO 170 Cb 0.57 -1.71 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 3dy5 n PRO 170 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3dy5 n TYR 171 N -1.89 0.94 0.00 0.54 4.02 -1.26 -2.19 117.16 117.32 3dy5 n TYR 171 Ca 0.02 0.26 0.23 0.00 -0.01 0.00 0.00 57.90 58.40 3dy5 n TYR 171 Cb 0.14 -1.15 0.71 0.00 -0.02 0.00 0.00 39.34 39.02 3dy5 n TYR 171 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 3dy5 h TYR 172 N 0.03 0.00 0.00 -0.72 0.05 -1.58 0.17 116.97 114.92 3dy5 h TYR 172 Ca -0.39 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.38 3dy5 h TYR 172 Cb 2.04 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.77 3dy5 h TYR 172 CO 0.03 0.00 -0.64 0.98 -1.05 0.00 0.00 178.16 177.49 3dy5 n TYR 173 N -3.79 0.74 0.38 4.88 4.19 -1.15 -3.61 117.16 118.79 3dy5 n TYR 173 Ca 0.11 0.32 0.10 0.00 3.31 0.00 0.00 57.90 61.75 3dy5 n TYR 173 Cb 0.78 -0.72 0.44 0.00 0.49 0.00 0.00 39.34 40.33 3dy5 n TYR 173 CO 0.00 0.00 0.00 0.98 0.91 0.00 0.00 176.86 178.75 3dy5 n TYR 174 N -4.58 0.59 -0.08 2.98 9.36 -0.93 -1.08 117.16 123.41 3dy5 n TYR 174 Ca -0.09 0.24 -0.17 0.00 3.32 0.00 0.00 57.90 61.20 3dy5 n TYR 174 Cb 0.33 -0.89 -0.13 0.00 -0.63 0.00 0.00 39.34 38.02 3dy5 n TYR 174 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3dy5 n ASN 175 N -2.04 1.68 -0.23 2.98 4.13 0.56 -3.49 115.26 118.85 3dy5 n ASN 175 Ca 0.02 0.02 0.05 0.00 1.68 0.00 0.00 54.58 56.35 3dy5 n ASN 175 Cb 0.19 -0.32 0.31 0.00 -1.54 0.00 0.00 39.78 38.41 3dy5 n ASN 175 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3dy5 h LEU 176 N 0.02 0.76 -0.53 3.41 5.85 -1.44 0.13 115.31 123.52 3dy5 h LEU 176 Ca -0.51 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 3dy5 h LEU 176 Cb 1.99 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.84 3dy5 h LEU 176 CO -0.01 0.50 0.19 0.58 -0.34 0.00 0.00 178.44 179.36 3dy5 h VAL 177 N 0.87 1.22 0.00 1.05 2.07 -1.28 -1.47 116.25 118.71 3dy5 h VAL 177 Ca 0.33 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 3dy5 h VAL 177 Cb 0.20 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3dy5 h VAL 177 CO -0.11 0.27 -0.12 -0.33 0.02 0.00 0.00 177.57 177.30 3dy5 h GLU 178 N 0.72 0.00 0.00 1.57 4.39 -0.86 -3.07 114.58 117.33 3dy5 h GLU 178 Ca 0.17 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.58 3dy5 h GLU 178 Cb 0.23 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.83 3dy5 h GLU 178 CO -0.01 0.12 -1.70 0.00 -1.16 0.00 0.00 179.01 176.25 3dy5 n ALA 179 N -2.47 1.50 -1.76 3.43 0.00 -0.14 -3.66 120.51 117.40 3dy5 n ALA 179 Ca -0.03 -0.76 -0.40 0.00 0.00 0.00 0.00 53.44 52.25 3dy5 n ALA 179 Cb 0.19 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 3dy5 n ALA 179 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dy5 s LEU 180 N -6.08 4.45 -0.21 0.00 1.43 -0.59 -3.98 118.68 113.70 3dy5 s LEU 180 Ca -0.05 2.38 -0.04 0.00 -1.03 0.00 0.00 54.13 55.39 3dy5 s LEU 180 Cb 0.08 -3.72 0.07 0.00 0.03 0.00 0.00 46.19 42.65 3dy5 s LEU 180 CO 0.82 -0.34 0.08 -0.13 0.23 0.00 0.00 176.35 177.02 3dy5 s ARG 181 N -1.71 0.32 -0.45 1.70 1.81 -0.62 -4.31 118.95 115.69 3dy5 s ARG 181 Ca 0.48 -0.33 -0.24 0.00 -1.72 0.00 0.00 55.73 53.92 3dy5 s ARG 181 Cb -0.33 -1.82 0.03 0.00 -0.45 0.00 0.00 34.95 32.37 3dy5 s ARG 181 CO 0.43 -0.74 0.82 0.50 -0.68 0.00 0.00 175.30 175.63 3dy5 s ARG 182 N 2.01 3.45 -0.68 3.54 3.52 0.02 -2.79 118.95 128.02 3dy5 s ARG 182 Ca 0.03 -0.03 -0.15 0.00 -0.13 0.00 0.00 55.73 55.45 3dy5 s ARG 182 Cb -0.16 -3.93 0.02 0.00 -1.56 0.00 0.00 34.95 29.32 3dy5 s ARG 182 CO -0.15 -1.13 0.63 0.00 -0.81 0.00 0.00 175.30 173.84 3dy5 n ALA 183 N 6.81 -2.61 -1.60 6.12 0.00 -1.20 -4.20 120.51 123.82 3dy5 n ALA 183 Ca 0.03 -0.05 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 3dy5 n ALA 183 Cb 0.48 -1.28 0.17 0.00 0.00 0.00 0.00 19.45 18.83 3dy5 n ALA 183 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dy5 s PRO 184 N -4.02 0.56 0.06 0.00 0.04 -1.26 -4.54 135.00 125.85 3dy5 s PRO 184 Ca 0.15 -0.03 -0.28 0.00 0.04 0.00 0.00 61.00 60.88 3dy5 s PRO 184 Cb -0.02 -1.80 -0.17 0.00 0.04 0.00 0.00 34.50 32.55 3dy5 s PRO 184 CO 0.89 -2.53 1.58 -0.44 0.04 0.00 0.00 177.00 176.55 3dy5 h ASP 185 N -1.73 -0.44 -3.91 6.66 5.19 -1.94 -3.48 116.42 116.77 3dy5 h ASP 185 Ca -0.47 -0.03 0.08 0.00 -0.62 0.00 0.00 57.03 55.99 3dy5 h ASP 185 Cb 1.29 0.11 -0.24 0.00 0.18 0.00 0.00 39.33 40.68 3dy5 h ASP 185 CO 0.49 -0.26 0.54 0.28 -3.12 0.00 0.00 179.24 177.17 3dy5 s THR 186 N -5.81 0.00 0.48 0.35 -1.32 -1.26 -4.92 115.64 103.17 3dy5 s THR 186 Ca -0.16 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.57 3dy5 s THR 186 Cb 0.04 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.46 3dy5 s THR 186 CO 0.62 0.00 1.88 -0.26 -2.21 0.00 0.00 174.62 174.65 3dy5 h PHE 187 N 2.85 0.25 0.00 9.09 -1.00 -1.92 -2.26 116.94 123.95 3dy5 h PHE 187 Ca -0.20 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.59 3dy5 h PHE 187 Cb 1.17 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.65 3dy5 h PHE 187 CO 0.29 0.06 0.00 0.00 -1.61 0.00 0.00 178.31 177.05 3dy5 n ALA 188 N -2.62 2.07 -1.97 2.45 0.00 -1.26 -2.49 120.51 116.70 3dy5 n ALA 188 Ca 0.19 -0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.58 3dy5 n ALA 188 Cb 0.83 -1.26 0.10 0.00 0.00 0.00 0.00 19.45 19.12 3dy5 n ALA 188 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3dy5 n HIS 189 N -1.04 0.00 -4.34 0.00 8.25 -0.85 -4.44 115.22 112.80 3dy5 n HIS 189 Ca 0.12 -0.88 -0.23 0.00 -0.26 0.00 0.00 57.72 56.47 3dy5 n HIS 189 Cb 0.07 -0.18 -0.08 0.00 1.12 0.00 0.00 29.99 30.92 3dy5 n HIS 189 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3dy5 s LEU 190 N -1.51 3.03 -0.01 2.41 1.02 -1.04 -4.77 118.68 117.82 3dy5 s LEU 190 Ca 0.32 -0.76 -0.15 0.00 0.02 0.00 0.00 54.13 53.56 3dy5 s LEU 190 Cb 0.33 -1.55 -0.06 0.00 0.02 0.00 0.00 46.19 44.94 3dy5 s LEU 190 CO -0.10 0.00 0.41 -0.31 0.02 0.00 0.00 176.35 176.37 3dy5 s TYR 191 N -2.38 3.71 -0.01 0.29 1.51 -1.26 -3.82 117.35 115.39 3dy5 s TYR 191 Ca 0.31 0.97 0.02 0.00 -1.01 0.00 0.00 57.07 57.37 3dy5 s TYR 191 Cb -0.06 -2.30 -0.00 0.00 -0.11 0.00 0.00 41.96 39.49 3dy5 s TYR 191 CO 0.19 0.61 -0.08 0.71 -1.11 0.00 0.00 175.55 175.87 3dy5 s TYR 192 N -0.95 0.76 -0.04 2.71 1.51 0.47 -4.23 117.35 117.59 3dy5 s TYR 192 Ca 0.24 -0.16 0.03 0.00 -1.01 0.00 0.00 57.07 56.17 3dy5 s TYR 192 Cb -0.16 -0.51 0.00 0.00 -0.11 0.00 0.00 41.96 41.17 3dy5 s TYR 192 CO 0.13 -0.03 -0.13 0.71 -1.11 0.00 0.00 175.55 175.11 3dy5 s TYR 193 N -0.08 1.36 0.35 2.71 1.51 0.37 0.70 117.35 124.28 3dy5 s TYR 193 Ca 0.01 -0.38 0.08 0.00 -1.01 0.00 0.00 57.07 55.78 3dy5 s TYR 193 Cb -0.05 -0.94 0.64 0.00 -0.11 0.00 0.00 41.96 41.51 3dy5 s TYR 193 CO -0.00 -0.14 1.83 0.66 -1.11 0.00 0.00 175.55 176.79 3dy5 h SER 194 N 6.34 0.25 0.00 2.29 4.64 -1.66 -0.23 113.55 125.18 3dy5 h SER 194 Ca -0.33 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3dy5 h SER 194 Cb 1.17 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3dy5 h SER 194 CO 0.48 0.49 0.00 0.00 -0.87 0.00 0.00 176.83 176.94 3dy5 n GLN 195 N -4.18 0.00 -1.62 4.77 6.02 -1.26 -4.86 117.38 116.25 3dy5 n GLN 195 Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.57 3dy5 n GLN 195 Cb 0.35 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.62 3dy5 n GLN 195 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3dy5 n VAL 196 N 0.00 2.59 -2.95 5.09 0.24 -1.26 -4.79 118.33 117.26 3dy5 n VAL 196 Ca 0.00 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 3dy5 n VAL 196 Cb 0.00 -1.22 -0.05 0.00 -1.47 0.00 0.00 33.84 31.10 3dy5 n VAL 196 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3dy5 s THR 197 N -1.29 4.74 0.16 3.34 2.01 -1.26 -4.63 115.64 118.71 3dy5 s THR 197 Ca 0.64 0.97 0.07 0.00 0.31 0.00 0.00 61.69 63.68 3dy5 s THR 197 Cb -0.53 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 67.74 3dy5 s THR 197 CO 0.56 -0.39 0.01 -0.04 -0.69 0.00 0.00 174.62 174.06 3dy5 s MET 198 N 3.08 2.45 0.66 4.92 -1.94 -0.93 -4.66 119.30 122.89 3dy5 s MET 198 Ca 0.32 -1.06 -0.11 0.00 -1.71 0.00 0.00 55.69 53.13 3dy5 s MET 198 Cb -0.13 -2.40 -0.01 0.00 2.01 0.00 0.00 34.83 34.29 3dy5 s MET 198 CO 0.16 0.47 1.06 -1.25 -0.01 0.00 0.00 175.02 175.45 3dy5 s PRO 199 N -2.87 3.26 -0.13 2.03 0.04 -1.25 0.20 135.00 136.28 3dy5 s PRO 199 Ca 0.27 0.64 -0.05 0.00 0.04 0.00 0.00 61.00 61.91 3dy5 s PRO 199 Cb -0.10 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.46 3dy5 s PRO 199 CO 0.19 -0.79 0.26 0.12 0.04 0.00 0.00 177.00 176.82 3dy5 s PHE 200 N -3.25 -0.42 -0.33 0.56 5.36 -0.25 -4.43 117.98 115.23 3dy5 s PHE 200 Ca 0.56 0.95 0.03 0.00 -0.96 0.00 0.00 56.93 57.51 3dy5 s PHE 200 Cb -0.11 -0.05 0.09 0.00 -0.34 0.00 0.00 43.02 42.61 3dy5 s PHE 200 CO 0.53 -0.36 0.03 0.15 -1.46 0.00 0.00 175.22 174.11 3dy5 s LYS 201 N 2.42 1.77 0.91 10.12 1.02 -1.13 -2.47 119.74 132.37 3dy5 s LYS 201 Ca 0.01 -1.72 -0.12 0.00 0.02 0.00 0.00 55.97 54.16 3dy5 s LYS 201 Cb -0.12 -3.18 0.14 0.00 -0.52 0.00 0.00 37.83 34.15 3dy5 s LYS 201 CO -0.09 -0.85 1.14 0.00 -0.92 0.00 0.00 175.35 174.63 3dy5 s ALA 202 N 0.99 1.79 0.54 5.17 0.00 -1.26 -4.65 121.76 124.34 3dy5 s ALA 202 Ca 0.05 -0.54 0.28 0.00 0.00 0.00 0.00 51.96 51.75 3dy5 s ALA 202 Cb -0.20 -3.03 1.70 0.00 0.00 0.00 0.00 23.12 21.59 3dy5 s ALA 202 CO -0.06 -2.29 2.20 0.87 0.00 0.00 0.00 175.76 176.48 3dy5 h LYS 203 N -1.50 0.00 0.00 0.00 1.57 -1.56 -2.77 116.57 112.32 3dy5 h LYS 203 Ca -0.50 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.23 3dy5 h LYS 203 Cb 1.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 3dy5 h LYS 203 CO 0.61 0.04 -0.24 0.38 -0.57 0.00 0.00 179.45 179.67 3dy5 h ASP 204 N 0.00 0.00 -0.31 0.86 2.03 -1.92 -3.48 116.42 113.60 3dy5 h ASP 204 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3dy5 h ASP 204 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 3dy5 h ASP 204 CO 0.00 0.24 0.00 0.61 -1.03 0.00 0.00 179.24 179.07 3dy5 n GLY 205 N 1.12 1.06 3.85 7.15 0.00 -1.04 -5.09 105.19 112.24 3dy5 n GLY 205 Ca 0.03 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 3dy5 n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dy5 s LYS 206 N -2.45 3.11 -0.17 1.61 1.02 -1.26 -5.03 119.74 116.56 3dy5 s LYS 206 Ca 0.00 -0.73 -0.29 0.00 0.02 0.00 0.00 55.97 54.97 3dy5 s LYS 206 Cb 0.00 -2.79 -0.00 0.00 -0.52 0.00 0.00 37.83 34.52 3dy5 s LYS 206 CO 0.00 0.52 1.02 0.08 -0.92 0.00 0.00 175.35 176.04 3dy5 s VAL 207 N -1.68 4.74 0.10 3.17 1.01 -1.26 -4.36 120.40 122.11 3dy5 s VAL 207 Ca 0.32 2.03 0.00 0.00 0.00 0.00 0.00 61.98 64.33 3dy5 s VAL 207 Cb -0.11 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 3dy5 s VAL 207 CO 0.25 -0.08 -0.03 -0.13 0.00 0.00 0.00 175.10 175.11 3dy5 s ARG 208 N 2.57 0.81 0.15 2.72 0.52 -1.03 -2.93 118.95 121.76 3dy5 s ARG 208 Ca 0.46 -1.34 0.06 0.00 -0.52 0.00 0.00 55.73 54.39 3dy5 s ARG 208 Cb -0.17 -0.00 -0.04 0.00 0.52 0.00 0.00 34.95 35.26 3dy5 s ARG 208 CO 0.12 -0.10 -0.13 0.71 0.02 0.00 0.00 175.30 175.92 3dy5 s TYR 209 N -3.79 1.43 -0.14 -0.53 1.51 -1.07 -1.09 117.35 113.66 3dy5 s TYR 209 Ca 0.14 -0.62 -0.11 0.00 -1.01 0.00 0.00 57.07 55.47 3dy5 s TYR 209 Cb 0.07 -0.72 0.04 0.00 -0.11 0.00 0.00 41.96 41.24 3dy5 s TYR 209 CO -0.04 0.18 0.37 0.00 -1.11 0.00 0.00 175.55 174.94 3dy5 s ARG 211 N 0.69 3.31 0.40 0.00 0.52 -1.03 -2.18 118.95 120.66 3dy5 s ARG 211 Ca -0.04 -0.31 0.05 0.00 -0.52 0.00 0.00 55.73 54.92 3dy5 s ARG 211 Cb -0.05 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.38 3dy5 s ARG 211 CO -0.05 0.70 0.56 0.71 0.02 0.00 0.00 175.30 177.25 3dy5 s TYR 212 N -1.16 3.03 -0.00 -0.53 1.51 -1.26 -1.85 117.35 117.08 3dy5 s TYR 212 Ca 0.21 -0.17 -0.12 0.00 -1.01 0.00 0.00 57.07 55.98 3dy5 s TYR 212 Cb -0.12 -2.22 0.02 0.00 -0.11 0.00 0.00 41.96 39.52 3dy5 s TYR 212 CO 0.11 -0.26 0.25 0.50 -1.11 0.00 0.00 175.55 175.04 3dy5 s ARG 213 N -4.34 0.62 -0.03 -0.62 3.52 -0.44 -2.06 118.95 115.59 3dy5 s ARG 213 Ca 0.49 -0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.81 3dy5 s ARG 213 Cb -0.10 0.27 0.02 0.00 -1.56 0.00 0.00 34.95 33.58 3dy5 s ARG 213 CO 0.33 -0.17 -0.02 0.00 -0.81 0.00 0.00 175.30 174.64 3dy5 s ALA 214 N -1.45 0.46 0.05 6.12 0.00 0.22 -0.28 121.76 126.88 3dy5 s ALA 214 Ca -0.13 0.07 0.01 0.00 0.00 0.00 0.00 51.96 51.91 3dy5 s ALA 214 Cb -0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 3dy5 s ALA 214 CO 0.03 -0.03 -0.05 -0.48 0.00 0.00 0.00 175.76 175.22 3dy5 s LEU 215 N 0.92 2.36 0.11 0.00 2.34 -1.25 0.18 118.68 123.35 3dy5 s LEU 215 Ca -0.11 -0.74 -0.31 0.00 0.06 0.00 0.00 54.13 53.04 3dy5 s LEU 215 Cb -0.14 -0.01 -0.10 0.00 -0.56 0.00 0.00 46.19 45.38 3dy5 s LEU 215 CO -0.01 -0.37 1.83 -2.16 -1.06 0.00 0.00 176.35 174.59 3dy5 s PRO 216 N -2.55 4.14 0.00 1.48 0.04 -1.25 -1.71 135.00 135.14 3dy5 s PRO 216 Ca -0.03 2.59 0.00 0.00 0.04 0.00 0.00 61.00 63.60 3dy5 s PRO 216 Cb -0.03 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.88 3dy5 s PRO 216 CO -0.03 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.57 3dy5 n GLY 217 N 4.25 0.48 5.36 0.56 0.00 -1.12 -4.70 105.19 110.01 3dy5 n GLY 217 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3dy5 n GLY 217 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dy5 n ASP 218 N 0.00 0.00 -1.31 1.61 2.03 -1.26 -4.29 116.55 113.33 3dy5 n ASP 218 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3dy5 n ASP 218 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3dy5 n ASP 218 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 3dy5 n VAL 219 N 0.00 0.00 -3.73 5.18 3.14 -1.26 -5.13 118.33 116.52 3dy5 n VAL 219 Ca 0.00 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.20 3dy5 n VAL 219 Cb 0.00 -1.19 -0.17 0.00 -1.06 0.00 0.00 33.84 31.42 3dy5 n VAL 219 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3dy5 s ASP 220 N -1.00 0.79 -0.12 6.55 -1.08 -1.26 -4.95 116.67 115.60 3dy5 s ASP 220 Ca 0.00 0.05 0.03 0.00 -0.52 0.00 0.00 52.55 52.11 3dy5 s ASP 220 Cb 0.00 -0.15 0.01 0.00 -1.46 0.00 0.00 42.92 41.32 3dy5 s ASP 220 CO 0.00 -0.20 -0.23 -0.63 0.52 0.00 0.00 175.17 174.64 3dy5 s ILE 221 N 1.72 2.05 -1.38 4.11 -1.09 -1.26 -5.06 121.20 120.29 3dy5 s ILE 221 Ca -0.01 -0.99 -0.07 0.00 -2.23 0.00 0.00 60.65 57.36 3dy5 s ILE 221 Cb -0.12 -1.79 0.05 0.00 -1.58 0.00 0.00 42.46 39.01 3dy5 s ILE 221 CO -0.03 0.55 2.58 0.29 -1.23 0.00 0.00 174.94 177.10 3dy5 n LYS 222 N 3.83 4.26 0.00 2.79 5.02 -1.26 -4.94 118.16 127.86 3dy5 n LYS 222 Ca -0.20 -3.04 0.00 0.00 -2.02 0.00 0.00 58.31 53.06 3dy5 n LYS 222 Cb 0.52 -2.66 0.00 0.00 -0.02 0.00 0.00 35.03 32.87 3dy5 n LYS 222 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3dy5 n GLU 223 N 2.26 0.00 -0.20 1.97 -0.58 -1.26 -3.67 120.64 119.16 3dy5 n GLU 223 Ca 0.67 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 57.43 3dy5 n GLU 223 Cb 0.26 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.18 3dy5 n GLU 223 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3dy5 n GLU 224 N 0.00 -0.07 0.00 3.49 4.71 -1.26 -0.39 120.64 127.11 3dy5 n GLU 224 Ca 0.00 0.83 0.00 0.00 -0.01 0.00 0.00 57.16 57.98 3dy5 n GLU 224 Cb 0.00 -1.23 0.00 0.00 -1.01 0.00 0.00 31.44 29.20 3dy5 n GLU 224 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3dy5 n ASP 225 N -4.84 0.02 -4.61 1.62 8.00 -1.24 -4.66 116.55 110.83 3dy5 n ASP 225 Ca 0.08 -0.06 -0.41 0.00 0.71 0.00 0.00 54.79 55.11 3dy5 n ASP 225 Cb 0.25 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 3dy5 n ASP 225 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3dy5 s GLU 226 N -1.39 3.98 0.46 -1.24 2.12 0.47 -4.89 118.70 118.21 3dy5 s GLU 226 Ca 0.00 0.45 -0.24 0.00 0.36 0.00 0.00 54.97 55.54 3dy5 s GLU 226 Cb 0.00 -3.71 -0.08 0.00 0.26 0.00 0.00 34.13 30.60 3dy5 s GLU 226 CO 0.00 -0.56 1.31 -1.13 -0.54 0.00 0.00 175.26 174.34 3dy5 n SER 227 N 5.92 2.67 0.00 -1.70 3.41 -1.26 -3.91 113.62 118.75 3dy5 n SER 227 Ca 0.00 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 3dy5 n SER 227 Cb 0.49 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 3dy5 n SER 227 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dy5 n GLY 228 N 0.77 3.45 3.18 5.00 0.00 -1.26 -4.57 105.19 111.77 3dy5 n GLY 228 Ca 0.07 -1.01 -0.55 0.00 0.00 0.00 0.00 46.02 44.53 3dy5 n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dy5 n ARG 229 N 0.00 0.00 -2.17 1.61 1.74 -1.25 -0.80 116.66 115.79 3dy5 n ARG 229 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 3dy5 n ARG 229 Cb 0.00 -1.32 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 3dy5 n ARG 229 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dy5 s LEU 230 N 1.14 4.37 0.00 0.55 1.02 -1.26 -4.85 118.68 119.65 3dy5 s LEU 230 Ca 0.86 2.59 0.00 0.00 0.02 0.00 0.00 54.13 57.59 3dy5 s LEU 230 Cb -1.21 -3.74 0.00 0.00 0.02 0.00 0.00 46.19 41.26 3dy5 s LEU 230 CO 0.60 -0.56 0.00 0.35 0.02 0.00 0.00 176.35 176.76 3dy5 n THR 231 N 0.63 0.00 0.01 5.49 -2.24 -1.26 -4.61 114.28 112.30 3dy5 n THR 231 Ca 0.01 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 3dy5 n THR 231 Cb 0.43 -0.55 -0.09 0.00 -2.10 0.00 0.00 70.33 68.02 3dy5 n THR 231 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3dy5 h GLU 232 N 0.00 -0.11 -0.84 -0.78 4.81 -1.95 -2.83 114.58 112.87 3dy5 h GLU 232 Ca 0.00 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 3dy5 h GLU 232 Cb 0.00 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 3dy5 h GLU 232 CO 0.00 0.42 0.52 1.49 -0.73 0.00 0.00 179.01 180.71 3dy5 h GLU 233 N -0.80 0.93 0.00 1.92 4.81 -1.98 -1.80 114.58 117.66 3dy5 h GLU 233 Ca -0.01 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 3dy5 h GLU 233 Cb 0.59 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3dy5 h GLU 233 CO 0.02 0.61 -0.38 0.93 -0.73 0.00 0.00 179.01 179.46 3dy5 h GLU 234 N 0.96 0.00 -0.00 1.92 5.08 -1.87 -1.56 114.58 119.11 3dy5 h GLU 234 Ca 0.37 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.69 3dy5 h GLU 234 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3dy5 h GLU 234 CO -0.17 0.38 -0.16 1.96 -1.00 0.00 0.00 179.01 180.02 3dy5 h GLN 235 N 0.00 0.12 -0.78 2.33 4.20 -1.20 -2.96 115.11 116.82 3dy5 h GLN 235 Ca -0.00 -0.12 0.15 0.00 0.06 0.00 0.00 58.65 58.74 3dy5 h GLN 235 Cb 0.87 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.58 3dy5 h GLN 235 CO 0.05 0.86 0.30 0.00 -0.67 0.00 0.00 178.83 179.38 3dy5 h ARG 236 N -0.58 0.41 -2.38 1.46 2.47 -1.27 -1.75 114.38 112.74 3dy5 h ARG 236 Ca -0.02 -0.02 -0.80 0.00 -1.26 0.00 0.00 59.98 57.87 3dy5 h ARG 236 Cb 0.92 -0.09 -0.25 0.00 -1.65 0.00 0.00 29.97 28.89 3dy5 h ARG 236 CO 0.03 0.27 1.17 1.17 0.56 0.00 0.00 179.97 183.17 3dy5 n LYS 237 N -5.02 5.24 -0.06 0.04 3.00 -0.59 -4.75 118.16 116.00 3dy5 n LYS 237 Ca 0.15 -4.52 -0.13 0.00 -0.00 0.00 0.00 58.31 53.82 3dy5 n LYS 237 Cb 0.45 -2.50 -0.01 0.00 0.00 0.00 0.00 35.03 32.98 3dy5 n LYS 237 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 3dy5 h ILE 238 N 2.41 1.28 0.00 3.15 2.10 -1.14 -3.27 117.51 122.05 3dy5 h ILE 238 Ca 0.52 -1.71 0.00 0.00 1.08 0.00 0.00 64.86 64.75 3dy5 h ILE 238 Cb 0.35 1.61 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 3dy5 h ILE 238 CO 1.24 0.55 0.05 4.11 -1.08 0.00 0.00 178.15 183.02 3dy5 h TRP 239 N 0.63 0.00 -3.31 2.19 0.09 -1.87 -3.37 115.95 110.30 3dy5 h TRP 239 Ca 0.02 0.00 -0.59 0.00 0.09 0.00 0.00 58.89 58.41 3dy5 h TRP 239 Cb 1.10 0.00 -0.08 0.00 0.08 0.00 0.00 29.16 30.26 3dy5 h TRP 239 CO 0.06 0.00 0.60 0.42 0.09 0.00 0.00 178.44 179.61 3dy5 s ILE 240 N -4.08 4.71 -0.05 0.12 -1.09 -1.23 -1.62 121.20 117.95 3dy5 s ILE 240 Ca -0.05 1.55 0.08 0.00 -2.23 0.00 0.00 60.65 60.01 3dy5 s ILE 240 Cb 0.12 -4.24 -0.13 0.00 -1.58 0.00 0.00 42.46 36.63 3dy5 s ILE 240 CO 0.37 -0.26 0.20 0.49 -1.23 0.00 0.00 174.94 174.51 3dy5 n PHE 241 N 6.36 0.00 -0.81 3.97 0.99 -1.26 -4.94 117.46 121.77 3dy5 n PHE 241 Ca 0.08 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.25 3dy5 n PHE 241 Cb 0.47 -0.17 0.24 0.00 -1.00 0.00 0.00 39.48 39.02 3dy5 n PHE 241 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3dy5 n SER 242 N -1.73 -2.51 0.00 4.37 3.41 -1.26 -2.97 113.62 112.93 3dy5 n SER 242 Ca -0.01 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 3dy5 n SER 242 Cb 0.21 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 3dy5 n SER 242 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dy5 n ARG 243 N -4.81 0.00 -3.51 4.33 1.74 -1.26 -4.45 116.66 108.70 3dy5 n ARG 243 Ca 0.14 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.06 3dy5 n ARG 243 Cb 0.54 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.93 3dy5 n ARG 243 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3dy5 s HIS 244 N 0.00 -0.60 0.34 -1.55 3.76 -1.26 -4.93 115.29 111.05 3dy5 s HIS 244 Ca 0.00 0.91 0.10 0.00 -0.15 0.00 0.00 55.06 55.92 3dy5 s HIS 244 Cb 0.00 0.44 0.84 0.00 1.11 0.00 0.00 32.58 34.97 3dy5 s HIS 244 CO 0.00 -0.62 1.81 0.93 -0.85 0.00 0.00 174.74 176.01 3dy5 h GLU 245 N 2.75 0.65 -3.37 1.40 4.39 -2.05 -3.15 114.58 115.20 3dy5 h GLU 245 Ca -0.27 -0.04 -0.65 0.00 0.34 0.00 0.00 59.36 58.74 3dy5 h GLU 245 Cb 1.17 -0.15 -0.40 0.00 -0.10 0.00 0.00 28.75 29.28 3dy5 h GLU 245 CO 0.38 0.43 -0.54 0.54 -1.16 0.00 0.00 179.01 178.65 3dy5 s ASN 246 N -5.51 4.64 -0.41 1.42 4.22 -1.26 -4.88 114.94 113.16 3dy5 s ASN 246 Ca -0.10 -3.14 -0.00 0.00 -2.14 0.00 0.00 52.86 47.48 3dy5 s ASN 246 Cb 0.24 -1.70 0.22 0.00 1.28 0.00 0.00 41.25 41.30 3dy5 s ASN 246 CO 0.80 -0.24 1.00 1.21 -2.04 0.00 0.00 177.10 177.84 3dy5 n GLU 247 N 2.98 0.32 -0.95 3.55 2.13 -1.19 -5.04 120.64 122.44 3dy5 n GLU 247 Ca 0.08 -1.23 -0.17 0.00 0.66 0.00 0.00 57.16 56.51 3dy5 n GLU 247 Cb 0.34 -0.59 0.01 0.00 0.27 0.00 0.00 31.44 31.47 3dy5 n GLU 247 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3dy5 n LYS 248 N 2.31 1.84 -2.99 5.31 4.76 -1.26 -4.80 118.16 123.32 3dy5 n LYS 248 Ca 0.11 -1.54 -0.34 0.00 -2.87 0.00 0.00 58.31 53.66 3dy5 n LYS 248 Cb 0.64 -1.66 -0.06 0.00 -1.84 0.00 0.00 35.03 32.11 3dy5 n LYS 248 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3dy5 s ARG 249 N -1.57 4.23 0.89 1.97 3.52 -1.26 -5.04 118.95 121.68 3dy5 s ARG 249 Ca 0.34 0.95 -0.13 0.00 -0.13 0.00 0.00 55.73 56.76 3dy5 s ARG 249 Cb 0.25 -2.56 0.07 0.00 -1.56 0.00 0.00 34.95 31.15 3dy5 s ARG 249 CO -0.04 0.20 0.78 -2.30 -0.81 0.00 0.00 175.30 173.13 3dy5 n PRO 250 N 0.03 -0.17 -0.36 5.12 -0.02 -1.26 -4.92 135.00 133.41 3dy5 n PRO 250 Ca 0.03 0.01 0.04 0.00 -2.02 0.00 0.00 63.50 61.55 3dy5 n PRO 250 Cb 0.52 -2.11 0.19 0.00 -0.02 0.00 0.00 33.50 32.08 3dy5 n PRO 250 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3dy5 h ASP 251 N -1.38 0.98 -0.78 2.55 5.19 -1.97 -3.15 116.42 117.87 3dy5 h ASP 251 Ca -0.44 0.02 -0.55 0.00 -0.62 0.00 0.00 57.03 55.44 3dy5 h ASP 251 Cb 1.29 -0.18 -0.36 0.00 0.18 0.00 0.00 39.33 40.26 3dy5 h ASP 251 CO 0.39 0.59 -0.28 -0.90 -3.12 0.00 0.00 179.24 175.92 3dy5 n ASP 252 N -4.55 5.45 -0.05 6.45 5.75 -1.26 -2.06 116.55 126.27 3dy5 n ASP 252 Ca 0.16 -3.77 -0.04 0.00 -0.01 0.00 0.00 54.79 51.13 3dy5 n ASP 252 Cb 0.23 -0.54 0.18 0.00 -1.03 0.00 0.00 41.12 39.96 3dy5 n ASP 252 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 3dy5 h TYR 253 N 2.02 0.71 0.00 2.11 -0.00 -1.92 0.19 116.97 120.08 3dy5 h TYR 253 Ca 0.42 -0.12 -0.19 0.00 0.00 0.00 0.00 58.73 58.85 3dy5 h TYR 253 Cb 1.34 -0.19 -0.03 0.00 0.00 0.00 0.00 36.73 37.86 3dy5 h TYR 253 CO 1.03 0.73 -0.90 1.25 -0.00 0.00 0.00 178.16 180.27 3dy5 h LEU 254 N 0.60 0.00 0.00 0.10 5.85 -1.88 -2.76 115.31 117.22 3dy5 h LEU 254 Ca 0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3dy5 h LEU 254 Cb 0.53 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3dy5 h LEU 254 CO 0.03 0.87 -0.14 0.03 -0.34 0.00 0.00 178.44 178.90 3dy5 h ARG 255 N 0.00 0.00 0.00 1.25 3.08 -1.88 -3.16 114.38 113.67 3dy5 h ARG 255 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3dy5 h ARG 255 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.73 3dy5 h ARG 255 CO 0.11 0.39 0.00 1.63 -1.07 0.00 0.00 179.97 181.03 3dy5 n LYS 256 N -4.68 0.26 -0.04 0.04 5.02 0.66 -1.22 118.16 118.20 3dy5 n LYS 256 Ca -0.06 0.09 -0.20 0.00 -2.02 0.00 0.00 58.31 56.12 3dy5 n LYS 256 Cb 0.23 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.61 3dy5 n LYS 256 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3dy5 n GLU 257 N -1.14 0.72 0.00 1.97 0.00 -1.04 -3.87 120.64 117.27 3dy5 n GLU 257 Ca 0.07 0.22 0.03 0.00 0.00 0.00 0.00 57.16 57.48 3dy5 n GLU 257 Cb 0.06 -1.64 0.16 0.00 0.00 0.00 0.00 31.44 30.02 3dy5 n GLU 257 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 3dy5 n TYR 258 N -3.41 0.00 -0.03 4.31 9.36 -0.35 -0.03 117.16 127.01 3dy5 n TYR 258 Ca -0.37 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 60.73 3dy5 n TYR 258 Cb 1.03 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 39.59 3dy5 n TYR 258 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3dy5 n VAL 259 N -0.77 1.62 0.05 2.97 0.31 -0.71 -4.52 118.33 117.28 3dy5 n VAL 259 Ca 0.04 -0.76 -0.01 0.00 -0.01 0.00 0.00 64.34 63.60 3dy5 n VAL 259 Cb 0.02 -1.16 -0.07 0.00 -0.91 0.00 0.00 33.84 31.72 3dy5 n VAL 259 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3dy5 h GLU 260 N 0.02 0.00 0.00 5.55 5.08 -0.59 -3.29 114.58 121.34 3dy5 h GLU 260 Ca -0.37 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3dy5 h GLU 260 Cb 2.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.29 3dy5 h GLU 260 CO 0.07 0.39 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.36 3dy5 h ARG 261 N 0.00 0.00 0.00 2.33 2.43 -1.69 -2.38 114.38 115.06 3dy5 h ARG 261 Ca -0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3dy5 h ARG 261 Cb 1.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 3dy5 h ARG 261 CO 0.06 0.02 -0.33 1.28 -1.51 0.00 0.00 179.97 179.48 3dy5 n LEU 262 N -3.12 0.49 -0.00 3.80 4.32 -1.24 -1.97 117.00 119.28 3dy5 n LEU 262 Ca 0.01 0.28 0.07 0.00 -0.02 0.00 0.00 56.01 56.35 3dy5 n LEU 262 Cb 0.32 -0.30 -0.10 0.00 -1.62 0.00 0.00 43.42 41.72 3dy5 n LEU 262 CO 0.28 -0.01 -0.35 0.00 -1.22 0.00 0.00 177.39 176.09 3dy5 n GLN 263 N -1.80 1.40 -0.18 3.23 10.64 -1.13 -4.30 117.38 125.24 3dy5 n GLN 263 Ca 0.05 -0.07 0.12 0.00 -1.83 0.00 0.00 57.00 55.27 3dy5 n GLN 263 Cb 0.38 -1.25 0.23 0.00 -0.86 0.00 0.00 30.24 28.73 3dy5 n GLN 263 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3dy5 n LYS 264 N -1.67 2.45 -2.04 2.61 4.81 -0.91 -5.05 118.16 118.36 3dy5 n LYS 264 Ca 0.00 -2.18 0.00 0.00 -0.87 0.00 0.00 58.31 55.26 3dy5 n LYS 264 Cb 0.30 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.84 3dy5 n LYS 264 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dy5 n GLY 265 N 1.48 -0.56 3.74 3.14 0.00 -0.83 -5.03 105.19 107.13 3dy5 n GLY 265 Ca 0.19 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 3dy5 n GLY 265 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dy5 s PRO 266 N -1.78 4.30 -0.20 1.61 0.04 -1.26 -3.91 135.00 133.80 3dy5 s PRO 266 Ca 0.00 0.57 -0.27 0.00 0.04 0.00 0.00 61.00 61.33 3dy5 s PRO 266 Cb 0.00 -3.39 -0.00 0.00 0.04 0.00 0.00 34.50 31.15 3dy5 s PRO 266 CO 0.00 0.26 0.95 0.08 0.04 0.00 0.00 177.00 178.33 3dy5 s VAL 267 N 0.23 4.77 -0.03 -0.36 1.01 -0.21 -4.84 120.40 120.97 3dy5 s VAL 267 Ca 0.28 1.85 0.06 0.00 0.00 0.00 0.00 61.98 64.18 3dy5 s VAL 267 Cb -0.16 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 3dy5 s VAL 267 CO 0.13 -0.09 -0.22 0.20 0.00 0.00 0.00 175.10 175.12 3dy5 s ASN 268 N 1.21 3.37 0.16 3.32 0.01 -1.26 -0.71 114.94 121.04 3dy5 s ASN 268 Ca 0.41 -0.38 0.06 0.00 -0.71 0.00 0.00 52.86 52.24 3dy5 s ASN 268 Cb -0.16 -0.52 -0.04 0.00 0.41 0.00 0.00 41.25 40.94 3dy5 s ASN 268 CO 0.09 0.33 -0.12 -0.31 -1.51 0.00 0.00 177.10 175.58 3dy5 s TYR 269 N -0.64 1.41 0.43 2.20 1.51 0.06 -2.81 117.35 119.50 3dy5 s TYR 269 Ca 0.10 -0.68 0.01 0.00 -1.01 0.00 0.00 57.07 55.50 3dy5 s TYR 269 Cb -0.10 -0.70 -0.01 0.00 -0.11 0.00 0.00 41.96 41.05 3dy5 s TYR 269 CO -0.00 0.17 0.64 1.03 -1.11 0.00 0.00 175.55 176.27 3dy5 s ARG 270 N -3.57 3.09 -0.12 -0.62 0.52 -0.70 -0.88 118.95 116.67 3dy5 s ARG 270 Ca 0.17 -0.56 -0.02 0.00 -0.52 0.00 0.00 55.73 54.81 3dy5 s ARG 270 Cb 0.01 -2.60 0.04 0.00 0.52 0.00 0.00 34.95 32.91 3dy5 s ARG 270 CO 0.03 -0.20 -0.00 -1.17 0.02 0.00 0.00 175.30 173.97 3dy5 s LEU 271 N -4.49 0.94 0.34 2.53 2.96 0.22 -3.74 118.68 117.44 3dy5 s LEU 271 Ca 0.47 -0.39 0.07 0.00 -0.22 0.00 0.00 54.13 54.07 3dy5 s LEU 271 Cb -0.10 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.99 3dy5 s LEU 271 CO 0.37 -0.22 0.37 -1.10 -1.32 0.00 0.00 176.35 174.45 3dy5 s GLN 272 N 1.87 2.88 -0.19 1.98 1.11 0.62 0.12 119.66 128.04 3dy5 s GLN 272 Ca 0.03 -1.19 -0.08 0.00 0.01 0.00 0.00 55.36 54.13 3dy5 s GLN 272 Cb -0.14 -2.61 0.08 0.00 -1.01 0.00 0.00 33.01 29.32 3dy5 s GLN 272 CO -0.07 0.07 0.44 -1.50 0.01 0.00 0.00 175.29 174.24 3dy5 s ILE 273 N -2.26 -0.37 0.01 1.08 2.07 -0.46 -1.33 121.20 119.95 3dy5 s ILE 273 Ca 0.43 0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.80 3dy5 s ILE 273 Cb -0.07 -0.67 -0.04 0.00 0.13 0.00 0.00 42.46 41.81 3dy5 s ILE 273 CO 0.28 0.05 0.05 0.00 -1.91 0.00 0.00 174.94 173.42 3dy5 s GLN 274 N 2.07 2.93 -0.03 3.50 -2.07 -0.77 -0.48 119.66 124.80 3dy5 s GLN 274 Ca -0.06 -0.57 0.02 0.00 -1.82 0.00 0.00 55.36 52.93 3dy5 s GLN 274 Cb -0.10 -2.77 0.01 0.00 -1.09 0.00 0.00 33.01 29.06 3dy5 s GLN 274 CO -0.13 0.62 -0.08 0.96 -1.32 0.00 0.00 175.29 175.34 3dy5 s ILE 275 N -1.20 0.74 -0.44 3.63 -0.00 -1.26 -2.45 121.20 120.22 3dy5 s ILE 275 Ca 0.23 -0.30 -0.22 0.00 -0.00 0.00 0.00 60.65 60.35 3dy5 s ILE 275 Cb -0.12 -0.68 0.02 0.00 -0.00 0.00 0.00 42.46 41.68 3dy5 s ILE 275 CO 0.14 0.25 0.74 -2.28 -0.00 0.00 0.00 174.94 173.79 3dy5 s HIS 276 N 0.42 3.03 -0.04 1.37 2.46 0.79 -4.93 115.29 118.40 3dy5 s HIS 276 Ca -0.07 0.15 -0.29 0.00 0.47 0.00 0.00 55.06 55.32 3dy5 s HIS 276 Cb -0.11 -3.54 -0.08 0.00 -0.13 0.00 0.00 32.58 28.72 3dy5 s HIS 276 CO 0.01 -0.92 2.05 -1.91 -2.47 0.00 0.00 174.74 171.50 3dy5 n GLU 277 N 6.55 2.61 -2.70 2.88 4.07 -1.26 -2.60 120.64 130.19 3dy5 n GLU 277 Ca 0.01 0.90 -0.39 0.00 -0.06 0.00 0.00 57.16 57.62 3dy5 n GLU 277 Cb 0.48 -3.08 -0.06 0.00 -0.06 0.00 0.00 31.44 28.72 3dy5 n GLU 277 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3dy5 s ALA 278 N 5.64 3.29 0.02 4.31 0.00 -1.15 -5.02 121.76 128.85 3dy5 s ALA 278 Ca 0.93 0.64 0.00 0.00 0.00 0.00 0.00 51.96 53.53 3dy5 s ALA 278 Cb -0.40 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 3dy5 s ALA 278 CO 0.40 0.10 -0.04 0.45 0.00 0.00 0.00 175.76 176.68 3dy5 s SER 279 N -1.29 0.32 0.00 0.00 0.15 -1.26 -4.95 113.70 106.67 3dy5 s SER 279 Ca 0.46 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.65 3dy5 s SER 279 Cb -0.24 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 3dy5 s SER 279 CO 0.31 -0.25 0.55 -0.81 1.20 0.00 0.00 173.24 174.24 3dy5 n PRO 280 N 1.73 0.00 -0.45 5.44 -0.04 -1.26 -1.83 135.00 138.60 3dy5 n PRO 280 Ca -0.23 0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.47 3dy5 n PRO 280 Cb 0.55 -1.55 0.31 0.00 -0.04 0.00 0.00 33.50 32.77 3dy5 n PRO 280 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3dy5 n ASP 281 N -1.05 4.13 -4.75 3.54 10.43 -1.26 -4.99 116.55 122.60 3dy5 n ASP 281 Ca 0.00 -2.25 -0.37 0.00 2.57 0.00 0.00 54.79 54.73 3dy5 n ASP 281 Cb 0.05 -0.49 -0.06 0.00 1.84 0.00 0.00 41.12 42.46 3dy5 n ASP 281 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3dy5 s ASP 282 N -1.02 6.63 0.28 -2.24 1.01 -0.76 -5.08 116.67 115.48 3dy5 s ASP 282 Ca 0.45 0.75 0.00 0.00 0.71 0.00 0.00 52.55 54.46 3dy5 s ASP 282 Cb 0.27 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.92 3dy5 s ASP 282 CO 0.25 0.10 0.46 0.42 0.21 0.00 0.00 175.17 176.62 3dy5 s THR 283 N 0.21 5.16 -1.02 -1.27 -4.23 -1.26 -4.96 115.64 108.28 3dy5 s THR 283 Ca 0.22 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 3dy5 s THR 283 Cb -0.15 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.88 3dy5 s THR 283 CO 0.09 -0.37 0.68 0.00 -0.54 0.00 0.00 174.62 174.48 3dy5 n ALA 284 N -1.28 0.88 -0.30 3.99 0.00 -1.26 -2.22 120.51 120.33 3dy5 n ALA 284 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.51 3dy5 n ALA 284 Cb 0.55 -0.74 0.27 0.00 0.00 0.00 0.00 19.45 19.54 3dy5 n ALA 284 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3dy5 h THR 285 N 0.00 0.28 -0.02 0.00 2.02 -1.92 0.48 112.91 113.74 3dy5 h THR 285 Ca 0.00 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.13 3dy5 h THR 285 Cb 0.16 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3dy5 h THR 285 CO 0.00 0.03 0.16 0.40 0.37 0.00 0.00 175.52 176.48 3dy5 h ILE 286 N 0.16 0.07 -0.26 3.11 2.04 -1.85 0.14 117.51 120.92 3dy5 h ILE 286 Ca 0.54 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.40 3dy5 h ILE 286 Cb 1.08 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3dy5 h ILE 286 CO -0.69 0.00 0.00 0.49 0.00 0.00 0.00 178.15 177.95 3dy5 n PHE 287 N -3.10 0.34 -2.69 1.37 0.99 0.16 -4.81 117.46 109.71 3dy5 n PHE 287 Ca -0.02 -0.17 -0.43 0.00 -0.00 0.00 0.00 57.45 56.83 3dy5 n PHE 287 Cb 0.22 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.68 3dy5 n PHE 287 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 3dy5 s HIS 288 N -1.66 3.45 -1.79 1.38 2.46 0.49 -4.65 115.29 114.96 3dy5 s HIS 288 Ca 0.34 1.54 0.26 0.00 0.47 0.00 0.00 55.06 57.67 3dy5 s HIS 288 Cb 0.19 -3.21 1.48 0.00 -0.13 0.00 0.00 32.58 30.91 3dy5 s HIS 288 CO 0.27 -0.31 1.91 0.00 -2.47 0.00 0.00 174.74 174.14 3dy5 n ALA 289 N 5.46 2.41 0.56 1.58 0.00 -1.26 -3.16 120.51 126.11 3dy5 n ALA 289 Ca 0.10 -0.15 0.06 0.00 0.00 0.00 0.00 53.44 53.45 3dy5 n ALA 289 Cb 0.48 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.43 3dy5 n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dy5 n GLY 290 N 0.74 -0.26 3.29 0.00 0.00 -1.26 0.71 105.19 108.41 3dy5 n GLY 290 Ca 0.17 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 3dy5 n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dy5 s ILE 291 N -2.28 3.89 0.32 -0.61 -1.09 -1.19 -4.83 121.20 115.41 3dy5 s ILE 291 Ca 0.04 -1.11 -0.27 0.00 -2.23 0.00 0.00 60.65 57.08 3dy5 s ILE 291 Cb 0.10 -3.21 -0.13 0.00 -1.58 0.00 0.00 42.46 37.64 3dy5 s ILE 291 CO 0.54 -0.20 1.06 0.18 -1.23 0.00 0.00 174.94 175.29 3dy5 n LEU 292 N 4.84 2.22 -4.70 2.97 7.99 -1.26 -4.89 117.00 124.17 3dy5 n LEU 292 Ca -0.12 1.16 -0.42 0.00 -0.01 0.00 0.00 56.01 56.62 3dy5 n LEU 292 Cb 0.45 -1.33 -0.03 0.00 -0.11 0.00 0.00 43.42 42.40 3dy5 n LEU 292 CO 0.32 -1.25 0.89 0.26 -1.51 0.00 0.00 177.39 176.11 3dy5 s TRP 293 N -1.10 3.33 -0.87 -1.77 0.52 -1.26 -4.85 118.94 112.94 3dy5 s TRP 293 Ca 0.58 1.31 -0.23 0.00 0.02 0.00 0.00 56.10 57.79 3dy5 s TRP 293 Cb -0.66 -3.37 -0.21 0.00 -1.15 0.00 0.00 33.47 28.08 3dy5 s TRP 293 CO 0.60 -1.10 2.25 -3.47 0.02 0.00 0.00 176.95 175.25 3dy5 n ASP 294 N 4.69 -0.08 -0.39 2.95 4.64 -1.26 -4.70 116.55 122.39 3dy5 n ASP 294 Ca 0.10 0.02 0.31 0.00 -1.38 0.00 0.00 54.79 53.84 3dy5 n ASP 294 Cb 0.47 -0.73 0.59 0.00 -1.04 0.00 0.00 41.12 40.41 3dy5 n ASP 294 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3dy5 h LYS 295 N 10.26 0.19 -0.03 -0.67 1.57 -1.89 -1.22 116.57 124.79 3dy5 h LYS 295 Ca -0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3dy5 h LYS 295 Cb 1.11 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 3dy5 h LYS 295 CO 1.26 0.13 0.02 0.93 -0.57 0.00 0.00 179.45 181.21 3dy5 h GLU 296 N 0.20 0.04 -0.62 3.15 4.39 -2.02 -3.18 114.58 116.53 3dy5 h GLU 296 Ca 0.74 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.44 3dy5 h GLU 296 Cb 2.16 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.80 3dy5 h GLU 296 CO -0.40 0.02 0.00 0.25 -1.16 0.00 0.00 179.01 177.72 3dy5 n THR 297 N -5.07 1.90 -3.20 1.13 -2.24 -0.56 -4.57 114.28 101.67 3dy5 n THR 297 Ca -0.06 -1.24 -0.21 0.00 -2.27 0.00 0.00 64.05 60.27 3dy5 n THR 297 Cb 0.03 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 3dy5 n THR 297 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3dy5 n HIS 298 N 1.02 -1.46 -2.08 4.78 8.25 -0.64 -5.00 115.22 120.09 3dy5 n HIS 298 Ca 0.25 -2.93 -0.28 0.00 -0.26 0.00 0.00 57.72 54.50 3dy5 n HIS 298 Cb 0.90 0.42 0.05 0.00 1.12 0.00 0.00 29.99 32.48 3dy5 n HIS 298 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3dy5 s PRO 299 N -0.05 2.68 -0.17 -0.41 0.04 -1.25 -4.62 135.00 131.22 3dy5 s PRO 299 Ca 0.33 0.18 -0.18 0.00 0.04 0.00 0.00 61.00 61.38 3dy5 s PRO 299 Cb 0.08 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 3dy5 s PRO 299 CO -0.16 -1.03 0.48 -1.58 0.04 0.00 0.00 177.00 174.75 3dy5 s TRP 300 N -3.26 3.42 -0.19 0.56 0.52 -1.26 -4.43 118.94 114.30 3dy5 s TRP 300 Ca 0.58 0.78 -0.18 0.00 0.02 0.00 0.00 56.10 57.30 3dy5 s TRP 300 Cb -0.11 -2.60 -0.03 0.00 -1.15 0.00 0.00 33.47 29.58 3dy5 s TRP 300 CO 0.48 0.01 0.49 -0.06 0.02 0.00 0.00 176.95 177.90 3dy5 s PHE 301 N 1.21 3.39 0.08 -1.98 0.40 0.37 -4.90 117.98 116.55 3dy5 s PHE 301 Ca 0.24 0.75 -0.32 0.00 -0.60 0.00 0.00 56.93 57.00 3dy5 s PHE 301 Cb -0.15 -2.63 -0.11 0.00 0.51 0.00 0.00 43.02 40.63 3dy5 s PHE 301 CO 0.09 -0.06 1.81 -0.25 0.70 0.00 0.00 175.22 177.52 3dy5 n ASP 302 N 4.62 3.77 -0.04 1.36 8.00 -1.26 -1.35 116.55 131.65 3dy5 n ASP 302 Ca -0.06 0.99 -0.08 0.00 0.71 0.00 0.00 54.79 56.36 3dy5 n ASP 302 Cb 0.51 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.09 3dy5 n ASP 302 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3dy5 n LEU 303 N 5.59 1.07 -4.15 0.64 7.94 0.12 -4.64 117.00 123.57 3dy5 n LEU 303 Ca 0.19 0.07 -0.15 0.00 -1.11 0.00 0.00 56.01 55.01 3dy5 n LEU 303 Cb 0.34 -0.25 -0.06 0.00 0.53 0.00 0.00 43.42 43.99 3dy5 n LEU 303 CO 0.67 0.26 0.01 0.00 -1.11 0.00 0.00 177.39 177.23 3dy5 s ALA 304 N -2.15 1.00 -0.13 1.96 0.00 -0.71 -1.05 121.76 120.68 3dy5 s ALA 304 Ca -0.11 -1.62 -0.01 0.00 0.00 0.00 0.00 51.96 50.22 3dy5 s ALA 304 Cb 0.04 1.27 0.03 0.00 0.00 0.00 0.00 23.12 24.46 3dy5 s ALA 304 CO 0.15 -0.73 -0.04 0.21 0.00 0.00 0.00 175.76 175.35 3dy5 s LYS 305 N -3.46 1.25 -0.19 0.00 2.20 -0.30 -0.61 119.74 118.62 3dy5 s LYS 305 Ca 0.34 -0.29 -0.15 0.00 -0.36 0.00 0.00 55.97 55.52 3dy5 s LYS 305 Cb 0.02 -1.65 -0.04 0.00 -1.51 0.00 0.00 37.83 34.64 3dy5 s LYS 305 CO 0.19 -0.36 0.33 0.08 -0.36 0.00 0.00 175.35 175.24 3dy5 s VAL 306 N 1.75 5.26 -0.15 4.02 1.01 -0.06 -2.29 120.40 129.94 3dy5 s VAL 306 Ca 0.03 0.59 0.02 0.00 0.00 0.00 0.00 61.98 62.62 3dy5 s VAL 306 Cb -0.14 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.58 3dy5 s VAL 306 CO -0.07 0.31 -0.21 -0.55 0.00 0.00 0.00 175.10 174.58 3dy5 s SER 307 N 0.83 3.14 -0.13 3.32 0.15 -0.08 -0.76 113.70 120.17 3dy5 s SER 307 Ca 0.17 -0.61 0.02 0.00 0.70 0.00 0.00 55.95 56.23 3dy5 s SER 307 Cb -0.14 -1.45 -0.00 0.00 -1.71 0.00 0.00 66.02 62.71 3dy5 s SER 307 CO 0.06 0.07 -0.19 -0.63 1.20 0.00 0.00 173.24 173.75 3dy5 s ILE 308 N 0.88 2.41 0.00 6.45 -1.09 0.11 -0.36 121.20 129.59 3dy5 s ILE 308 Ca -0.05 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 3dy5 s ILE 308 Cb -0.15 -1.97 0.00 0.00 -1.58 0.00 0.00 42.46 38.76 3dy5 s ILE 308 CO -0.03 0.54 0.00 2.29 -1.23 0.00 0.00 174.94 176.51 3dy5 n LYS 309 N 3.76 0.00 -1.64 2.79 0.00 0.15 -1.05 118.16 122.18 3dy5 n LYS 309 Ca -0.19 0.00 -0.54 0.00 -0.00 0.00 0.00 58.31 57.58 3dy5 n LYS 309 Cb 0.52 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.49 3dy5 n LYS 309 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3dy5 n THR 310 N 0.00 0.34 -1.70 0.58 -2.24 -1.22 -4.67 114.28 105.37 3dy5 n THR 310 Ca 0.00 -0.11 -0.36 0.00 -2.27 0.00 0.00 64.05 61.31 3dy5 n THR 310 Cb 0.00 -1.45 0.07 0.00 -2.10 0.00 0.00 70.33 66.85 3dy5 n THR 310 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3dy5 s PRO 311 N 4.33 2.50 -0.22 -0.78 0.04 -1.26 -1.11 135.00 138.51 3dy5 s PRO 311 Ca 1.00 1.92 -0.15 0.00 0.04 0.00 0.00 61.00 63.81 3dy5 s PRO 311 Cb -0.95 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 3dy5 s PRO 311 CO 0.59 -1.60 0.37 -1.17 0.04 0.00 0.00 177.00 175.24 3dy5 s LEU 312 N -4.56 4.13 0.70 -3.56 2.96 -0.78 -4.67 118.68 112.90 3dy5 s LEU 312 Ca 0.79 0.44 -0.16 0.00 -0.22 0.00 0.00 54.13 54.97 3dy5 s LEU 312 Cb -0.33 -2.46 0.01 0.00 0.50 0.00 0.00 46.19 43.90 3dy5 s LEU 312 CO 0.40 -0.09 1.10 -0.24 -1.32 0.00 0.00 176.35 176.20 3dy5 n SER 313 N 4.63 1.06 0.11 3.68 2.88 -1.26 -4.72 113.62 119.99 3dy5 n SER 313 Ca -0.09 0.72 -0.15 0.00 -1.33 0.00 0.00 58.87 58.02 3dy5 n SER 313 Cb 0.51 -1.46 -0.09 0.00 -0.75 0.00 0.00 64.21 62.42 3dy5 n SER 313 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3dy5 h PRO 314 N -0.05 -0.67 0.00 -1.46 0.11 -1.98 -2.21 132.00 125.74 3dy5 h PRO 314 Ca -0.48 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3dy5 h PRO 314 Cb 1.33 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.60 3dy5 h PRO 314 CO 0.49 -0.45 0.00 -0.40 -0.21 0.00 0.00 178.00 177.43 3dy5 n ASP 315 N -5.17 0.00 -0.05 -2.05 5.75 -1.26 -2.25 116.55 111.52 3dy5 n ASP 315 Ca -0.08 -1.08 -0.04 0.00 -0.01 0.00 0.00 54.79 53.57 3dy5 n ASP 315 Cb 0.37 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.39 3dy5 n ASP 315 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3dy5 n VAL 316 N -0.95 0.63 -0.04 2.12 0.31 -1.19 -4.18 118.33 115.02 3dy5 n VAL 316 Ca 0.22 -0.39 -0.13 0.00 -0.01 0.00 0.00 64.34 64.03 3dy5 n VAL 316 Cb 0.10 -0.73 -0.07 0.00 -0.91 0.00 0.00 33.84 32.23 3dy5 n VAL 316 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3dy5 h LEU 317 N 0.00 0.23 -1.31 7.52 5.85 -1.38 -3.21 115.31 123.01 3dy5 h LEU 317 Ca -0.25 -0.42 0.26 0.00 0.84 0.00 0.00 57.88 58.31 3dy5 h LEU 317 Cb 1.55 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.42 3dy5 h LEU 317 CO 0.01 0.60 0.66 -0.08 -0.34 0.00 0.00 178.44 179.29 3dy5 h GLU 318 N -0.13 0.42 -0.01 1.25 4.57 -1.67 0.52 114.58 119.53 3dy5 h GLU 318 Ca 0.02 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3dy5 h GLU 318 Cb 0.52 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3dy5 h GLU 318 CO 0.02 0.28 -0.09 0.36 -1.18 0.00 0.00 179.01 178.39 3dy5 n LYS 319 N -4.66 1.09 -1.13 1.92 2.85 -1.22 -4.91 118.16 112.10 3dy5 n LYS 319 Ca 0.25 -0.52 -0.31 0.00 -1.05 0.00 0.00 58.31 56.69 3dy5 n LYS 319 Cb 0.84 -1.49 0.11 0.00 -0.65 0.00 0.00 35.03 33.85 3dy5 n LYS 319 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3dy5 s THR 320 N -2.26 2.98 -0.37 0.58 2.01 0.17 -4.84 115.64 113.91 3dy5 s THR 320 Ca 0.33 0.32 0.05 0.00 0.31 0.00 0.00 61.69 62.70 3dy5 s THR 320 Cb 0.20 -2.71 0.17 0.00 0.01 0.00 0.00 72.50 70.17 3dy5 s THR 320 CO 0.43 -0.42 0.50 0.00 -0.69 0.00 0.00 174.62 174.44 3dy5 s ALA 321 N -2.85 -1.53 0.39 7.40 0.00 -1.04 -5.01 121.76 119.11 3dy5 s ALA 321 Ca 0.63 -0.10 -0.24 0.00 0.00 0.00 0.00 51.96 52.24 3dy5 s ALA 321 Cb -0.18 -2.38 -0.09 0.00 0.00 0.00 0.00 23.12 20.46 3dy5 s ALA 321 CO 0.57 -2.08 1.03 -0.06 0.00 0.00 0.00 175.76 175.22 3dy5 s PHE 322 N 1.92 3.33 -0.29 0.00 0.40 -1.26 -4.36 117.98 117.72 3dy5 s PHE 322 Ca 0.15 1.66 -0.14 0.00 -0.60 0.00 0.00 56.93 57.99 3dy5 s PHE 322 Cb -0.10 -3.09 0.11 0.00 0.51 0.00 0.00 43.02 40.45 3dy5 s PHE 322 CO -0.11 -0.49 0.75 1.21 0.70 0.00 0.00 175.22 177.27 3dy5 s ASN 323 N -1.59 -0.90 0.46 1.36 3.84 -1.26 -5.03 114.94 111.82 3dy5 s ASN 323 Ca 0.57 1.37 0.31 0.00 0.21 0.00 0.00 52.86 55.32 3dy5 s ASN 323 Cb -0.21 1.61 1.64 0.00 -0.55 0.00 0.00 41.25 43.74 3dy5 s ASN 323 CO 0.26 -0.21 1.96 0.16 -2.79 0.00 0.00 177.10 176.48 3dy5 h ILE 324 N 5.29 0.00 -0.32 -5.21 3.07 -1.95 -1.22 117.51 117.18 3dy5 h ILE 324 Ca -0.26 -0.07 -0.03 0.00 1.55 0.00 0.00 64.86 66.06 3dy5 h ILE 324 Cb 1.18 0.81 -0.02 0.00 -0.27 0.00 0.00 36.82 38.52 3dy5 h ILE 324 CO 0.14 0.00 0.08 0.00 -1.05 0.00 0.00 178.15 177.33 3dy5 h ALA 325 N 2.03 1.56 -0.64 0.16 0.00 -1.94 -3.36 119.26 117.07 3dy5 h ALA 325 Ca 0.00 -0.12 -0.37 0.00 0.00 0.00 0.00 54.91 54.42 3dy5 h ALA 325 Cb 0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3dy5 h ALA 325 CO 0.00 0.33 1.08 -0.80 0.00 0.00 0.00 179.25 179.87 3dy5 s ASN 326 N -6.76 5.34 0.04 0.00 0.01 -0.46 -4.90 114.94 108.20 3dy5 s ASN 326 Ca -0.07 -1.37 0.04 0.00 -0.71 0.00 0.00 52.86 50.75 3dy5 s ASN 326 Cb 0.16 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 39.23 3dy5 s ASN 326 CO 0.74 -2.68 -0.12 -1.10 -1.51 0.00 0.00 177.10 172.43 3dy5 s GLN 327 N 6.36 0.79 0.76 -0.60 -1.52 -1.25 -0.84 119.66 123.36 3dy5 s GLN 327 Ca 0.66 -0.73 -0.07 0.00 -1.95 0.00 0.00 55.36 53.27 3dy5 s GLN 327 Cb -0.02 -0.76 0.11 0.00 -0.22 0.00 0.00 33.01 32.12 3dy5 s GLN 327 CO 0.06 0.18 1.08 -1.25 -0.25 0.00 0.00 175.29 175.11 3dy5 s PRO 328 N -1.21 1.73 0.47 2.91 0.04 -0.94 -4.86 135.00 133.14 3dy5 s PRO 328 Ca -0.01 -0.48 0.19 0.00 0.04 0.00 0.00 61.00 60.74 3dy5 s PRO 328 Cb -0.08 -2.13 1.13 0.00 0.04 0.00 0.00 34.50 33.46 3dy5 s PRO 328 CO 0.01 -1.55 2.00 0.00 0.04 0.00 0.00 177.00 177.51 3dy5 h ALA 329 N -0.81 1.52 -0.00 8.56 0.00 -1.98 -2.48 119.26 124.06 3dy5 h ALA 329 Ca -0.43 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3dy5 h ALA 329 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3dy5 h ALA 329 CO 0.51 0.23 -0.02 -1.13 0.00 0.00 0.00 179.25 178.83 3dy5 n SER 330 N -4.06 0.13 0.00 0.00 3.41 -1.26 -4.80 113.62 107.03 3dy5 n SER 330 Ca -0.02 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 3dy5 n SER 330 Cb 0.26 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3dy5 n SER 330 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dy5 n LEU 331 N -1.13 0.00 0.00 1.04 4.77 -0.93 -2.85 117.00 117.90 3dy5 n LEU 331 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3dy5 n LEU 331 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3dy5 n LEU 331 CO 0.22 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3dy5 n GLY 332 N 4.22 -0.21 3.63 -0.72 0.00 -1.25 -4.83 105.19 106.03 3dy5 n GLY 332 Ca 0.00 -2.25 -0.24 0.00 0.00 0.00 0.00 46.02 43.53 3dy5 n GLY 332 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dy5 s LEU 333 N 0.00 3.01 0.46 0.99 1.43 -1.26 -3.86 118.68 119.45 3dy5 s LEU 333 Ca 0.00 -0.89 -0.06 0.00 -1.03 0.00 0.00 54.13 52.15 3dy5 s LEU 333 Cb 0.00 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 3dy5 s LEU 333 CO 0.00 -0.15 0.76 -0.76 0.23 0.00 0.00 176.35 176.43 3dy5 s LEU 334 N -3.69 3.69 -0.02 1.79 1.43 -1.26 -4.85 118.68 115.76 3dy5 s LEU 334 Ca 0.34 0.93 -0.18 0.00 -1.03 0.00 0.00 54.13 54.19 3dy5 s LEU 334 Cb -0.02 -3.87 -0.05 0.00 0.03 0.00 0.00 46.19 42.27 3dy5 s LEU 334 CO 0.19 -0.52 0.51 -1.61 0.23 0.00 0.00 176.35 175.15 3dy5 s GLU 335 N -4.53 4.21 -0.15 1.70 2.02 -1.26 -4.64 118.70 116.04 3dy5 s GLU 335 Ca 0.48 0.58 -0.13 0.00 0.02 0.00 0.00 54.97 55.92 3dy5 s GLU 335 Cb -0.10 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.76 3dy5 s GLU 335 CO 0.42 0.43 0.26 0.00 0.02 0.00 0.00 175.26 176.39 3dy5 s ALA 336 N -0.33 3.64 -0.17 5.21 0.00 -1.26 -4.87 121.76 123.97 3dy5 s ALA 336 Ca 0.27 -0.50 0.18 0.00 0.00 0.00 0.00 51.96 51.91 3dy5 s ALA 336 Cb -0.17 -2.32 -0.25 0.00 0.00 0.00 0.00 23.12 20.38 3dy5 s ALA 336 CO 0.15 0.17 0.18 1.63 0.00 0.00 0.00 175.76 177.89 3dy5 n LYS 337 N 3.33 0.68 -3.63 0.00 5.02 -1.26 -5.00 118.16 117.30 3dy5 n LYS 337 Ca -0.13 0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.05 3dy5 n LYS 337 Cb 0.52 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 3dy5 n LYS 337 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dy5 s SER 338 N -5.50 -0.33 0.50 4.39 1.04 -1.26 -3.44 113.70 109.10 3dy5 s SER 338 Ca -0.09 0.01 0.33 0.00 0.48 0.00 0.00 55.95 56.69 3dy5 s SER 338 Cb 0.07 0.46 1.55 0.00 0.10 0.00 0.00 66.02 68.19 3dy5 s SER 338 CO 0.83 -0.71 2.00 1.55 0.98 0.00 0.00 173.24 177.89 3dy5 h PRO 339 N 2.83 0.00 0.01 4.02 0.13 -1.90 -0.30 132.00 136.79 3dy5 h PRO 339 Ca -0.32 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.61 3dy5 h PRO 339 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 3dy5 h PRO 339 CO 0.43 0.00 -0.94 0.93 -0.23 0.00 0.00 178.00 178.19 3dy5 h GLU 340 N 0.00 0.04 -6.18 0.86 3.07 -1.96 0.12 114.58 110.53 3dy5 h GLU 340 Ca 0.00 -0.05 -0.62 0.00 -0.50 0.00 0.00 59.36 58.19 3dy5 h GLU 340 Cb 0.31 0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.24 3dy5 h GLU 340 CO 0.00 0.95 1.22 -3.47 -1.40 0.00 0.00 179.01 176.31 3dy5 n ASP 341 N -3.47 3.24 0.23 1.42 -0.08 -0.12 -4.81 116.55 112.96 3dy5 n ASP 341 Ca -0.01 0.76 0.05 0.00 -1.51 0.00 0.00 54.79 54.08 3dy5 n ASP 341 Cb 0.88 -1.39 0.28 0.00 2.34 0.00 0.00 41.12 43.23 3dy5 n ASP 341 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3dy5 h TYR 342 N 10.74 0.00 -0.00 -0.67 0.99 -1.85 1.03 116.97 127.21 3dy5 h TYR 342 Ca -0.44 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.29 3dy5 h TYR 342 Cb 1.27 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.00 3dy5 h TYR 342 CO 0.91 0.00 -0.17 0.09 -0.00 0.00 0.00 178.16 178.98 3dy5 n ASN 343 N -2.21 0.36 -0.07 3.88 3.02 -1.26 -3.90 115.26 115.08 3dy5 n ASN 343 Ca -0.01 -0.21 0.16 0.00 -0.03 0.00 0.00 54.58 54.49 3dy5 n ASN 343 Cb 0.57 -0.11 0.58 0.00 -0.61 0.00 0.00 39.78 40.22 3dy5 n ASN 343 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3dy5 h SER 344 N 0.29 0.22 -0.87 6.41 4.64 0.91 -2.62 113.55 122.52 3dy5 h SER 344 Ca 0.00 0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.38 3dy5 h SER 344 Cb 0.43 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 62.43 3dy5 h SER 344 CO 0.00 0.12 0.55 0.40 -0.87 0.00 0.00 176.83 177.03 3dy5 h ILE 345 N 0.24 1.09 0.00 0.95 1.08 -1.79 -0.74 117.51 118.34 3dy5 h ILE 345 Ca 0.29 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 3dy5 h ILE 345 Cb 0.81 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.53 3dy5 h ILE 345 CO -0.06 0.19 0.00 0.61 -0.69 0.00 0.00 178.15 178.20 3dy5 n GLY 346 N -1.33 -2.47 0.33 5.37 0.00 -0.99 -2.39 105.19 103.71 3dy5 n GLY 346 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 3dy5 n GLY 346 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dy5 h GLU 347 N 0.00 0.00 0.06 1.61 5.08 -1.55 0.33 114.58 120.11 3dy5 h GLU 347 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dy5 h GLU 347 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3dy5 h GLU 347 CO 0.00 0.00 -0.03 -0.07 -1.00 0.00 0.00 179.01 177.91 3dy5 h LEU 348 N 0.00 -0.06 -0.90 1.33 3.38 -1.10 -3.27 115.31 114.68 3dy5 h LEU 348 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3dy5 h LEU 348 Cb 1.14 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.78 3dy5 h LEU 348 CO 0.00 0.10 -0.45 0.54 0.09 0.00 0.00 178.44 178.72 3dy5 n ARG 349 N -3.03 -0.31 -0.15 1.13 1.74 0.02 0.00 116.66 116.05 3dy5 n ARG 349 Ca -0.01 1.38 -0.04 0.00 -0.77 0.00 0.00 57.85 58.41 3dy5 n ARG 349 Cb 0.03 -2.04 -0.04 0.00 -1.02 0.00 0.00 32.46 29.40 3dy5 n ARG 349 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dy5 n VAL 350 N -5.22 -0.25 -0.02 1.55 0.31 -0.66 0.11 118.33 114.15 3dy5 n VAL 350 Ca 0.05 1.07 -0.16 0.00 -0.01 0.00 0.00 64.34 65.29 3dy5 n VAL 350 Cb 0.29 -1.33 -0.11 0.00 -0.91 0.00 0.00 33.84 31.78 3dy5 n VAL 350 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dy5 h ALA 351 N 0.06 0.06 0.00 3.52 0.00 -0.47 -1.48 119.26 120.95 3dy5 h ALA 351 Ca 0.06 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3dy5 h ALA 351 Cb 0.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3dy5 h ALA 351 CO -0.34 0.18 0.00 1.33 0.00 0.00 0.00 179.25 180.42 3dy5 n VAL 352 N -4.41 0.00 -0.07 0.00 0.24 -0.27 -2.14 118.33 111.69 3dy5 n VAL 352 Ca -0.10 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.06 3dy5 n VAL 352 Cb 0.55 -0.17 -0.05 0.00 -1.47 0.00 0.00 33.84 32.70 3dy5 n VAL 352 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3dy5 n TYR 353 N -0.36 0.00 -0.14 6.34 4.02 0.30 -4.36 117.16 122.96 3dy5 n TYR 353 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.86 3dy5 n TYR 353 Cb 0.04 -0.48 0.04 0.00 -0.02 0.00 0.00 39.34 38.92 3dy5 n TYR 353 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3dy5 h THR 354 N -0.51 0.63 0.38 -0.72 2.02 -1.20 0.19 112.91 113.70 3dy5 h THR 354 Ca -0.32 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 3dy5 h THR 354 Cb 1.22 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3dy5 h THR 354 CO -0.19 0.01 -0.18 -0.25 0.37 0.00 0.00 175.52 175.28 3dy5 h TRP 355 N 0.08 -0.48 -0.49 3.16 2.91 -1.70 -1.38 115.95 118.05 3dy5 h TRP 355 Ca 0.22 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.29 3dy5 h TRP 355 Cb 0.33 0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 29.09 3dy5 h TRP 355 CO -0.31 -0.15 0.19 -0.39 -1.03 0.00 0.00 178.44 176.74 3dy5 h VAL 356 N -0.88 0.86 0.28 2.65 -1.51 -1.72 -0.67 116.25 115.26 3dy5 h VAL 356 Ca -0.05 -0.13 -0.01 0.00 -1.23 0.00 0.00 66.70 65.28 3dy5 h VAL 356 Cb 0.54 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.16 3dy5 h VAL 356 CO 0.09 0.07 -0.13 1.56 -1.23 0.00 0.00 177.57 177.92 3dy5 h GLN 357 N 0.37 -0.36 -0.05 5.19 4.20 -0.62 0.22 115.11 124.06 3dy5 h GLN 357 Ca 0.23 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.98 3dy5 h GLN 357 Cb 0.23 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3dy5 h GLN 357 CO -0.22 -0.20 0.28 1.25 -0.67 0.00 0.00 178.83 179.27 3dy5 h HIS 358 N -0.42 0.00 -0.08 2.96 -0.00 -1.04 0.68 115.15 117.25 3dy5 h HIS 358 Ca -0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.25 3dy5 h HIS 358 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 3dy5 h HIS 358 CO -0.04 0.00 -0.29 1.25 -0.00 0.00 0.00 177.93 178.85 3dy5 h LEU 359 N 0.00 0.39 -0.54 0.26 7.12 0.99 -3.29 115.31 120.24 3dy5 h LEU 359 Ca 0.02 -0.62 -0.05 0.00 0.13 0.00 0.00 57.88 57.37 3dy5 h LEU 359 Cb 0.59 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.58 3dy5 h LEU 359 CO -0.00 0.95 0.16 0.03 -0.13 0.00 0.00 178.44 179.45 3dy5 h ARG 360 N -0.14 0.84 -0.82 1.25 3.08 -0.00 -2.96 114.38 115.63 3dy5 h ARG 360 Ca -0.01 -0.19 0.20 0.00 0.07 0.00 0.00 59.98 60.05 3dy5 h ARG 360 Cb 0.92 -0.12 -0.13 0.00 0.08 0.00 0.00 29.97 30.72 3dy5 h ARG 360 CO 0.06 0.78 0.21 -0.22 -1.07 0.00 0.00 179.97 179.73 3dy5 h LYS 361 N 0.75 0.24 -0.64 0.04 3.64 -1.48 0.89 116.57 120.00 3dy5 h LYS 361 Ca 0.17 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3dy5 h LYS 361 Cb 0.29 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 3dy5 h LYS 361 CO -0.00 0.16 0.42 -0.07 -2.27 0.00 0.00 179.45 177.69 3dy5 h LEU 362 N 0.24 0.68 -5.25 5.20 3.38 -1.58 -2.33 115.31 115.64 3dy5 h LEU 362 Ca 0.49 -0.01 -0.72 0.00 0.09 0.00 0.00 57.88 57.73 3dy5 h LEU 362 Cb 0.92 -0.16 -0.23 0.00 0.09 0.00 0.00 40.66 41.28 3dy5 h LEU 362 CO -0.59 0.47 1.06 0.29 0.09 0.00 0.00 178.44 179.76 3dy5 n LYS 363 N -4.46 3.50 0.00 1.13 4.76 0.30 -4.37 118.16 119.02 3dy5 n LYS 363 Ca 0.08 -3.52 0.00 0.00 -2.87 0.00 0.00 58.31 52.00 3dy5 n LYS 363 Cb 0.11 -2.33 0.00 0.00 -1.84 0.00 0.00 35.03 30.97 3dy5 n LYS 363 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 3dy5 n ILE 364 N 0.13 1.88 -0.63 -0.18 0.13 -0.88 -4.84 119.36 114.97 3dy5 n ILE 364 Ca 0.52 0.48 0.00 0.00 -1.10 0.00 0.00 62.75 62.65 3dy5 n ILE 364 Cb 0.31 -1.48 0.00 0.00 -0.84 0.00 0.00 39.64 37.63 3dy5 n ILE 364 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3dy5 n GLY 365 N -1.47 0.67 3.83 4.50 0.00 -1.26 -5.02 105.19 106.44 3dy5 n GLY 365 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 3dy5 n GLY 365 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dy5 n SER 366 N 0.24 -1.73 0.00 1.61 3.41 -1.26 -5.26 113.62 110.63 3dy5 n SER 366 Ca 0.00 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 3dy5 n SER 366 Cb 0.00 2.81 0.00 0.00 -0.26 0.00 0.00 64.21 66.76 3dy5 n SER 366 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3dy5 n LEU 367 N 0.00 0.00 -1.75 1.04 7.94 -1.26 -4.93 117.00 118.04 3dy5 n LEU 367 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 3dy5 n LEU 367 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 3dy5 n LEU 367 CO 0.21 0.00 -0.47 -3.20 -1.11 0.00 0.00 177.39 172.83 3dy5 n ASN 373 N 0.00 -8.84 -3.64 1.96 5.15 -1.26 -5.11 115.26 103.51 3dy5 n ASN 373 Ca 0.00 1.30 -0.12 0.00 -0.60 0.00 0.00 54.58 55.16 3dy5 n ASN 373 Cb 0.00 -5.12 -0.07 0.00 -0.53 0.00 0.00 39.78 34.06 3dy5 n ASN 373 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dy5 s ALA 374 N -3.18 -1.74 -0.02 5.20 0.00 -1.22 -4.79 121.76 115.99 3dy5 s ALA 374 Ca 0.00 2.06 -0.20 0.00 0.00 0.00 0.00 51.96 53.81 3dy5 s ALA 374 Cb 0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.87 3dy5 s ALA 374 CO 0.00 -0.34 0.59 0.42 0.00 0.00 0.00 175.76 176.43 3dy5 s ILE 375 N 0.70 4.96 -0.23 0.00 1.01 -1.26 -2.92 121.20 123.46 3dy5 s ILE 375 Ca -0.03 1.22 0.02 0.00 0.00 0.00 0.00 60.65 61.86 3dy5 s ILE 375 Cb -0.05 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.54 3dy5 s ILE 375 CO -0.04 0.39 -0.13 -0.31 0.00 0.00 0.00 174.94 174.84 3dy5 s TYR 376 N -0.01 3.06 -0.06 3.97 4.12 0.63 -1.99 117.35 127.07 3dy5 s TYR 376 Ca 0.31 -1.96 -0.18 0.00 0.02 0.00 0.00 57.07 55.26 3dy5 s TYR 376 Cb -0.18 -1.95 -0.05 0.00 -1.52 0.00 0.00 41.96 38.27 3dy5 s TYR 376 CO 0.16 -0.83 0.51 -0.80 0.02 0.00 0.00 175.55 174.61 3dy5 s ASN 377 N 1.21 6.81 -0.34 2.29 0.01 -0.25 -1.22 114.94 123.43 3dy5 s ASN 377 Ca -0.02 0.96 0.00 0.00 -0.71 0.00 0.00 52.86 53.09 3dy5 s ASN 377 Cb -0.17 -2.31 0.14 0.00 0.41 0.00 0.00 41.25 39.32 3dy5 s ASN 377 CO -0.08 0.09 0.23 -0.69 -1.51 0.00 0.00 177.10 175.14 3dy5 s VAL 378 N 0.07 -0.01 0.34 1.60 1.01 -0.53 0.86 120.40 123.75 3dy5 s VAL 378 Ca 0.27 -1.38 -0.28 0.00 0.00 0.00 0.00 61.98 60.59 3dy5 s VAL 378 Cb -0.16 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.12 3dy5 s VAL 378 CO 0.13 -0.85 1.18 -0.70 0.00 0.00 0.00 175.10 174.86 3dy5 s GLU 379 N 1.34 4.35 -0.18 2.72 -6.30 -0.38 -2.79 118.70 117.46 3dy5 s GLU 379 Ca 0.16 1.92 -0.05 0.00 -2.50 0.00 0.00 54.97 54.51 3dy5 s GLU 379 Cb -0.20 -2.96 0.06 0.00 0.00 0.00 0.00 34.13 31.03 3dy5 s GLU 379 CO -0.06 -0.09 0.08 0.08 0.02 0.00 0.00 175.26 175.29 3dy5 s VAL 380 N -1.26 -0.01 -0.17 3.70 1.01 -0.97 -0.49 120.40 122.22 3dy5 s VAL 380 Ca 0.50 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 3dy5 s VAL 380 Cb -0.33 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3dy5 s VAL 380 CO 0.43 -0.29 0.39 -0.70 0.00 0.00 0.00 175.10 174.93 3dy5 s GLU 381 N 2.10 4.24 0.09 2.72 2.12 -0.55 -3.07 118.70 126.35 3dy5 s GLU 381 Ca 0.02 0.24 0.03 0.00 0.36 0.00 0.00 54.97 55.61 3dy5 s GLU 381 Cb -0.16 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 3dy5 s GLU 381 CO -0.10 0.09 0.10 0.99 -0.54 0.00 0.00 175.26 175.80 3dy5 s THR 382 N 0.91 4.66 0.86 -1.70 2.01 -1.00 -1.93 115.64 119.44 3dy5 s THR 382 Ca 0.20 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.34 3dy5 s THR 382 Cb -0.14 -3.26 0.11 0.00 0.01 0.00 0.00 72.50 69.21 3dy5 s THR 382 CO 0.07 0.10 1.10 -0.83 -0.69 0.00 0.00 174.62 174.37 3dy5 s GLY 383 N -2.48 1.62 0.05 4.40 0.00 -0.23 -3.21 107.32 107.47 3dy5 s GLY 383 Ca 0.30 -0.14 -0.06 0.00 0.00 0.00 0.00 44.72 44.82 3dy5 s GLY 383 CO 0.23 0.33 1.04 -0.55 0.00 0.00 0.00 173.10 174.15 3dy5 h ASP 384 N -1.37 0.49 -3.70 1.64 3.45 -1.91 0.38 116.42 115.41 3dy5 h ASP 384 Ca -0.49 -0.56 -0.56 0.00 0.43 0.00 0.00 57.03 55.86 3dy5 h ASP 384 Cb 1.28 -0.16 0.13 0.00 -0.56 0.00 0.00 39.33 40.02 3dy5 h ASP 384 CO 0.57 1.45 0.55 -2.11 -1.57 0.00 0.00 179.24 178.12 3dy5 n ARG 385 N -3.55 1.98 -1.58 3.56 1.85 -1.26 -4.60 116.66 113.07 3dy5 n ARG 385 Ca -0.12 0.71 -0.45 0.00 -1.00 0.00 0.00 57.85 56.99 3dy5 n ARG 385 Cb 1.04 -2.46 -0.02 0.00 -1.05 0.00 0.00 32.46 29.98 3dy5 n ARG 385 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3dy5 n GLU 386 N -0.12 1.28 0.00 2.89 1.02 -1.26 -2.34 120.64 122.11 3dy5 n GLU 386 Ca 0.07 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 3dy5 n GLU 386 Cb 0.41 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3dy5 n GLU 386 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3dy5 n HIS 387 N 0.19 0.00 0.00 -0.32 8.25 -1.26 -4.68 115.22 117.40 3dy5 n HIS 387 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3dy5 n HIS 387 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 3dy5 n HIS 387 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dy5 n ALA 388 N -0.27 0.89 -1.63 -1.41 0.00 -0.99 -4.70 120.51 112.40 3dy5 n ALA 388 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3dy5 n ALA 388 Cb 0.00 -0.81 0.06 0.00 0.00 0.00 0.00 19.45 18.70 3dy5 n ALA 388 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dy5 s GLY 389 N -2.60 2.66 -0.09 0.00 0.00 -1.26 -3.56 107.32 102.46 3dy5 s GLY 389 Ca 0.00 1.03 0.02 0.00 0.00 0.00 0.00 44.72 45.77 3dy5 s GLY 389 CO 0.00 1.43 -0.15 -1.08 0.00 0.00 0.00 173.10 173.30 3dy5 s THR 390 N -1.66 1.45 -0.05 0.90 -1.32 -0.86 -4.49 115.64 109.60 3dy5 s THR 390 Ca 0.78 -0.63 0.13 0.00 -1.21 0.00 0.00 61.69 60.76 3dy5 s THR 390 Cb -0.32 -1.31 -0.19 0.00 -1.51 0.00 0.00 72.50 69.17 3dy5 s THR 390 CO 0.39 0.43 0.81 -0.78 -2.21 0.00 0.00 174.62 173.26 3dy5 h ASP 391 N 7.19 0.00 -4.36 8.08 3.58 -1.78 -3.46 116.42 125.67 3dy5 h ASP 391 Ca -0.29 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.65 3dy5 h ASP 391 Cb 1.19 0.00 0.08 0.00 1.72 0.00 0.00 39.33 42.32 3dy5 h ASP 391 CO 0.48 0.86 0.39 0.00 -2.88 0.00 0.00 179.24 178.09 3dy5 s ALA 392 N -2.72 2.79 0.77 -0.78 0.00 -1.26 -4.83 121.76 115.74 3dy5 s ALA 392 Ca -0.03 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.73 3dy5 s ALA 392 Cb 0.08 -3.11 0.06 0.00 0.00 0.00 0.00 23.12 20.15 3dy5 s ALA 392 CO 0.82 -1.10 1.14 0.95 0.00 0.00 0.00 175.76 177.57 3dy5 s THR 393 N -3.15 2.64 0.03 0.00 -4.23 -1.26 -4.92 115.64 104.74 3dy5 s THR 393 Ca 0.57 0.21 0.02 0.00 -1.18 0.00 0.00 61.69 61.31 3dy5 s THR 393 Cb -0.13 -3.19 -0.02 0.00 1.34 0.00 0.00 72.50 70.51 3dy5 s THR 393 CO 0.54 -0.27 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.65 3dy5 s ILE 394 N -3.46 0.53 0.05 2.99 -1.09 -1.11 -3.66 121.20 115.45 3dy5 s ILE 394 Ca 0.60 -0.77 0.05 0.00 -2.23 0.00 0.00 60.65 58.30 3dy5 s ILE 394 Cb -0.11 -0.54 -0.03 0.00 -1.58 0.00 0.00 42.46 40.20 3dy5 s ILE 394 CO 0.50 -0.18 -0.14 -0.89 -1.23 0.00 0.00 174.94 173.01 3dy5 s THR 395 N -0.90 1.07 -0.23 2.92 2.01 -0.81 0.10 115.64 119.80 3dy5 s THR 395 Ca -0.05 -1.14 0.02 0.00 0.31 0.00 0.00 61.69 60.83 3dy5 s THR 395 Cb -0.07 -1.01 0.04 0.00 0.01 0.00 0.00 72.50 71.47 3dy5 s THR 395 CO 0.00 -0.13 -0.14 -0.51 -0.69 0.00 0.00 174.62 173.16 3dy5 s ILE 396 N -1.07 2.21 -0.69 1.82 1.10 0.17 -1.91 121.20 122.84 3dy5 s ILE 396 Ca -0.01 -1.28 -0.14 0.00 -0.51 0.00 0.00 60.65 58.71 3dy5 s ILE 396 Cb -0.09 -2.13 0.18 0.00 0.15 0.00 0.00 42.46 40.57 3dy5 s ILE 396 CO 0.02 0.23 0.63 -0.60 -2.11 0.00 0.00 174.94 173.10 3dy5 s ARG 397 N 1.20 3.27 -0.25 3.50 3.52 -0.20 -1.93 118.95 128.07 3dy5 s ARG 397 Ca -0.02 -2.12 -0.21 0.00 -0.13 0.00 0.00 55.73 53.25 3dy5 s ARG 397 Cb -0.17 -4.33 -0.02 0.00 -1.56 0.00 0.00 34.95 28.87 3dy5 s ARG 397 CO -0.08 -1.30 0.64 0.42 -0.81 0.00 0.00 175.30 174.17 3dy5 s ILE 398 N 0.80 4.98 -0.09 4.11 1.01 -1.26 -1.88 121.20 128.87 3dy5 s ILE 398 Ca 0.11 1.15 -0.01 0.00 0.00 0.00 0.00 60.65 61.91 3dy5 s ILE 398 Cb -0.19 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 3dy5 s ILE 398 CO -0.03 0.03 -0.05 -0.89 0.00 0.00 0.00 174.94 174.00 3dy5 s THR 399 N 2.46 3.87 0.12 2.92 2.01 -0.60 -1.53 115.64 124.89 3dy5 s THR 399 Ca 0.27 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 3dy5 s THR 399 Cb -0.15 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.74 3dy5 s THR 399 CO 0.09 0.58 0.16 0.61 -0.69 0.00 0.00 174.62 175.37 3dy5 n GLY 400 N 2.46 2.83 0.26 4.40 0.00 0.36 -0.55 105.19 114.93 3dy5 n GLY 400 Ca -0.18 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.48 3dy5 n GLY 400 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dy5 h ALA 401 N 1.62 1.41 0.01 4.61 0.00 -0.36 -3.06 119.26 123.49 3dy5 h ALA 401 Ca -0.09 -0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.36 3dy5 h ALA 401 Cb 0.39 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3dy5 h ALA 401 CO 0.12 0.16 -2.12 1.63 0.00 0.00 0.00 179.25 179.05 3dy5 n LYS 402 N -3.83 0.67 0.00 0.00 5.02 -0.96 -5.03 118.16 114.03 3dy5 n LYS 402 Ca -0.02 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3dy5 n LYS 402 Cb 0.23 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3dy5 n LYS 402 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dy5 n GLY 403 N 1.75 -0.76 3.22 0.72 0.00 -1.16 -4.99 105.19 103.97 3dy5 n GLY 403 Ca -0.28 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 3dy5 n GLY 403 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dy5 s ARG 404 N -0.52 1.65 0.31 1.61 3.52 -1.26 -0.49 118.95 123.76 3dy5 s ARG 404 Ca 0.00 -0.75 -0.15 0.00 -0.13 0.00 0.00 55.73 54.70 3dy5 s ARG 404 Cb 0.00 -1.60 -0.09 0.00 -1.56 0.00 0.00 34.95 31.70 3dy5 s ARG 404 CO 0.00 0.44 0.72 0.95 -0.81 0.00 0.00 175.30 176.60 3dy5 s THR 405 N -0.50 4.69 0.38 4.11 -4.23 -0.58 -4.77 115.64 114.74 3dy5 s THR 405 Ca 0.08 0.95 -0.27 0.00 -1.18 0.00 0.00 61.69 61.27 3dy5 s THR 405 Cb -0.08 -3.63 -0.09 0.00 1.34 0.00 0.00 72.50 70.04 3dy5 s THR 405 CO -0.01 -0.14 1.30 -0.62 -0.54 0.00 0.00 174.62 174.61 3dy5 s ASP 406 N -2.22 6.46 -0.65 3.99 -1.08 -1.26 -4.47 116.67 117.44 3dy5 s ASP 406 Ca 0.53 2.65 -0.31 0.00 -0.52 0.00 0.00 52.55 54.89 3dy5 s ASP 406 Cb -0.11 -2.64 -0.15 0.00 -1.46 0.00 0.00 42.92 38.57 3dy5 s ASP 406 CO 0.18 -0.75 2.46 -1.22 0.52 0.00 0.00 175.17 176.36 3dy5 n TYR 407 N 0.32 1.12 -2.80 -5.34 4.02 -1.26 -4.82 117.16 108.40 3dy5 n TYR 407 Ca 0.03 0.30 -0.41 0.00 -0.01 0.00 0.00 57.90 57.80 3dy5 n TYR 407 Cb 0.43 -2.49 -0.04 0.00 -0.02 0.00 0.00 39.34 37.22 3dy5 n TYR 407 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3dy5 s LEU 408 N 9.45 4.39 0.29 7.72 1.43 -0.81 -4.70 118.68 136.45 3dy5 s LEU 408 Ca 1.17 1.58 -0.29 0.00 -1.03 0.00 0.00 54.13 55.56 3dy5 s LEU 408 Cb -0.84 -3.45 -0.09 0.00 0.03 0.00 0.00 46.19 41.84 3dy5 s LEU 408 CO 0.43 -0.17 1.05 -0.75 0.23 0.00 0.00 176.35 177.13 3dy5 s LYS 409 N 0.70 4.63 0.00 1.70 2.20 -1.26 0.44 119.74 128.14 3dy5 s LYS 409 Ca 0.47 1.68 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 3dy5 s LYS 409 Cb -0.21 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 3dy5 s LYS 409 CO 0.26 0.24 0.00 1.28 -0.36 0.00 0.00 175.35 176.77 3dy5 n LEU 410 N 1.08 0.00 0.21 5.43 4.77 0.11 -4.90 117.00 123.70 3dy5 n LEU 410 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3dy5 n LEU 410 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3dy5 n LEU 410 CO 0.52 0.00 0.00 0.33 -1.33 0.00 0.00 177.39 176.91 3dy5 n PHE 418 N 0.00 -4.27 -4.08 -1.77 7.35 -1.26 -2.73 117.46 110.69 3dy5 n PHE 418 Ca 0.00 1.36 -0.06 0.00 -0.76 0.00 0.00 57.45 57.99 3dy5 n PHE 418 Cb 0.00 3.34 -0.02 0.00 0.35 0.00 0.00 39.48 43.14 3dy5 n PHE 418 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 3dy5 n GLU 419 N -3.40 0.13 -1.50 -4.13 0.28 -1.26 -2.03 120.64 108.73 3dy5 n GLU 419 Ca 0.00 -1.03 -0.61 0.00 -0.16 0.00 0.00 57.16 55.36 3dy5 n GLU 419 Cb 0.00 0.85 -0.10 0.00 1.43 0.00 0.00 31.44 33.62 3dy5 n GLU 419 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3dy5 n ALA 420 N -2.29 -0.26 -3.59 -1.84 0.00 -1.26 -2.92 120.51 108.35 3dy5 n ALA 420 Ca -0.04 0.29 -0.20 0.00 0.00 0.00 0.00 53.44 53.50 3dy5 n ALA 420 Cb 0.19 -2.10 0.06 0.00 0.00 0.00 0.00 19.45 17.59 3dy5 n ALA 420 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dy5 n GLY 421 N 5.79 -0.33 3.31 0.00 0.00 0.13 -4.91 105.19 109.18 3dy5 n GLY 421 Ca 0.42 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 46.22 3dy5 n GLY 421 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dy5 s SER 422 N -4.35 3.89 -0.14 1.61 1.04 -1.15 -4.87 113.70 109.73 3dy5 s SER 422 Ca 0.01 -0.40 -0.04 0.00 0.48 0.00 0.00 55.95 56.00 3dy5 s SER 422 Cb -0.00 -1.61 -0.03 0.00 0.10 0.00 0.00 66.02 64.48 3dy5 s SER 422 CO 0.78 0.10 -0.00 -0.54 0.98 0.00 0.00 173.24 174.56 3dy5 s LYS 423 N 0.71 3.53 -0.02 4.02 1.02 -1.26 -2.38 119.74 125.36 3dy5 s LYS 423 Ca -0.06 -0.44 -0.25 0.00 0.02 0.00 0.00 55.97 55.24 3dy5 s LYS 423 Cb -0.15 -2.95 0.05 0.00 -0.52 0.00 0.00 37.83 34.26 3dy5 s LYS 423 CO 0.02 0.40 0.55 -1.83 -0.92 0.00 0.00 175.35 173.57 3dy5 s GLU 424 N -0.03 0.95 -0.19 1.68 1.03 -1.17 -4.99 118.70 115.98 3dy5 s GLU 424 Ca 0.03 0.05 -0.10 0.00 0.03 0.00 0.00 54.97 54.97 3dy5 s GLU 424 Cb -0.13 0.44 -0.05 0.00 -0.80 0.00 0.00 34.13 33.59 3dy5 s GLU 424 CO 0.02 -0.30 0.15 -1.14 -1.33 0.00 0.00 175.26 172.66 3dy5 s GLN 425 N -1.47 4.18 0.26 -4.83 0.74 -1.26 -2.28 119.66 114.99 3dy5 s GLN 425 Ca -0.11 -0.19 0.10 0.00 0.05 0.00 0.00 55.36 55.22 3dy5 s GLN 425 Cb -0.01 -3.42 -0.05 0.00 1.10 0.00 0.00 33.01 30.63 3dy5 s GLN 425 CO 0.06 0.30 -0.11 0.71 -0.55 0.00 0.00 175.29 175.71 3dy5 s TYR 426 N 0.34 2.51 -0.53 1.67 1.51 -1.12 -4.95 117.35 116.78 3dy5 s TYR 426 Ca 0.09 -0.27 0.05 0.00 -1.01 0.00 0.00 57.07 55.92 3dy5 s TYR 426 Cb -0.11 -1.13 0.17 0.00 -0.11 0.00 0.00 41.96 40.79 3dy5 s TYR 426 CO -0.01 0.64 0.42 2.41 -1.11 0.00 0.00 175.55 177.89 3dy5 n THR 427 N -0.59 -0.02 -2.42 -0.71 -1.04 -1.26 -1.45 114.28 106.79 3dy5 n THR 427 Ca -0.07 -4.04 -0.25 0.00 -2.04 0.00 0.00 64.05 57.65 3dy5 n THR 427 Cb 0.59 -1.88 0.10 0.00 -1.82 0.00 0.00 70.33 67.32 3dy5 n THR 427 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3dy5 s VAL 428 N -0.63 2.21 -0.15 12.58 -7.23 -0.36 -4.84 120.40 121.98 3dy5 s VAL 428 Ca 0.30 -0.45 -0.21 0.00 -1.81 0.00 0.00 61.98 59.81 3dy5 s VAL 428 Cb 0.02 -2.76 0.05 0.00 0.56 0.00 0.00 36.38 34.25 3dy5 s VAL 428 CO -0.18 0.00 0.54 0.00 -0.31 0.00 0.00 175.10 175.15 3dy5 s GLN 429 N -5.23 0.73 0.00 4.82 -2.07 -1.26 -0.27 119.66 116.39 3dy5 s GLN 429 Ca 0.65 0.52 0.00 0.00 -1.82 0.00 0.00 55.36 54.71 3dy5 s GLN 429 Cb -0.07 0.35 0.00 0.00 -1.09 0.00 0.00 33.01 32.20 3dy5 s GLN 429 CO 0.45 -0.14 0.00 0.41 -1.32 0.00 0.00 175.29 174.68 3dy5 n GLY 430 N 2.17 -1.38 1.10 2.60 0.00 -1.15 -4.93 105.19 103.60 3dy5 n GLY 430 Ca -0.16 -1.02 -0.19 0.00 0.00 0.00 0.00 46.02 44.65 3dy5 n GLY 430 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3dy5 n PHE 431 N 0.23 0.34 -1.63 1.61 -0.00 -1.26 -3.46 117.46 113.29 3dy5 n PHE 431 Ca 0.00 0.23 -0.43 0.00 -0.00 0.00 0.00 57.45 57.25 3dy5 n PHE 431 Cb 0.00 -0.77 -0.03 0.00 -0.00 0.00 0.00 39.48 38.68 3dy5 n PHE 431 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3dy5 n ASP 432 N 2.73 3.76 -0.85 -2.13 2.03 -1.26 -4.43 116.55 116.39 3dy5 n ASP 432 Ca 0.19 0.60 0.11 0.00 0.52 0.00 0.00 54.79 56.22 3dy5 n ASP 432 Cb -0.01 -1.53 0.29 0.00 -0.72 0.00 0.00 41.12 39.14 3dy5 n ASP 432 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3dy5 n VAL 433 N 6.48 0.36 0.00 5.18 0.24 -1.26 -4.48 118.33 124.85 3dy5 n VAL 433 Ca 0.24 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 3dy5 n VAL 433 Cb 0.42 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 3dy5 n VAL 433 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dy5 n GLY 434 N 1.31 3.88 3.65 7.63 0.00 -1.26 -1.52 105.19 118.88 3dy5 n GLY 434 Ca 0.17 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3dy5 n GLY 434 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dy5 s ASP 435 N -4.00 6.50 0.05 1.61 2.15 -1.26 -4.72 116.67 117.00 3dy5 s ASP 435 Ca 0.00 2.00 -0.31 0.00 0.43 0.00 0.00 52.55 54.68 3dy5 s ASP 435 Cb 0.00 -2.53 -0.06 0.00 -0.30 0.00 0.00 42.92 40.03 3dy5 s ASP 435 CO 0.00 -1.10 1.21 -0.63 -0.17 0.00 0.00 175.17 174.48 3dy5 s ILE 436 N 4.68 4.03 -0.06 4.11 1.09 -1.26 -1.69 121.20 132.09 3dy5 s ILE 436 Ca 0.74 1.45 0.10 0.00 -1.10 0.00 0.00 60.65 61.84 3dy5 s ILE 436 Cb -0.30 -3.93 -0.15 0.00 -1.06 0.00 0.00 42.46 37.01 3dy5 s ILE 436 CO 0.30 0.10 0.24 0.00 -0.10 0.00 0.00 174.94 175.48 3dy5 n GLN 437 N 4.03 0.65 -3.61 2.79 6.02 0.28 -4.96 117.38 122.57 3dy5 n GLN 437 Ca 0.09 -0.08 0.04 0.00 -0.01 0.00 0.00 57.00 57.04 3dy5 n GLN 437 Cb 0.46 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.51 3dy5 n GLN 437 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 3dy5 s LEU 438 N -3.59 -0.00 0.08 1.08 2.34 -1.13 -4.33 118.68 113.13 3dy5 s LEU 438 Ca -0.03 -0.00 -0.03 0.00 0.06 0.00 0.00 54.13 54.12 3dy5 s LEU 438 Cb 0.07 1.01 -0.03 0.00 -0.56 0.00 0.00 46.19 46.67 3dy5 s LEU 438 CO 0.42 -0.00 0.06 0.27 -1.06 0.00 0.00 176.35 176.03 3dy5 s ILE 439 N -2.01 0.18 -0.07 1.48 -4.36 -0.94 -1.56 121.20 113.92 3dy5 s ILE 439 Ca 0.17 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 3dy5 s ILE 439 Cb 0.07 -1.56 0.02 0.00 1.25 0.00 0.00 42.46 42.25 3dy5 s ILE 439 CO -0.06 -0.80 -0.05 -1.61 0.24 0.00 0.00 174.94 172.65 3dy5 s GLU 440 N -3.92 1.05 0.63 0.37 2.02 -0.79 -1.04 118.70 117.02 3dy5 s GLU 440 Ca 0.09 -0.12 -0.09 0.00 0.02 0.00 0.00 54.97 54.87 3dy5 s GLU 440 Cb 0.07 -1.13 0.00 0.00 0.10 0.00 0.00 34.13 33.17 3dy5 s GLU 440 CO -0.08 -0.17 0.99 -0.51 0.02 0.00 0.00 175.26 175.50 3dy5 s LEU 441 N 1.37 3.13 -0.29 1.80 1.43 0.65 -1.03 118.68 125.74 3dy5 s LEU 441 Ca -0.03 1.00 0.03 0.00 -1.03 0.00 0.00 54.13 54.10 3dy5 s LEU 441 Cb -0.13 -3.85 0.17 0.00 0.03 0.00 0.00 46.19 42.41 3dy5 s LEU 441 CO -0.03 -1.11 0.47 -2.28 0.23 0.00 0.00 176.35 173.63 3dy5 s HIS 442 N -3.15 -1.29 0.97 0.29 2.46 -0.80 -2.85 115.29 110.93 3dy5 s HIS 442 Ca 0.55 0.54 -0.15 0.00 0.47 0.00 0.00 55.06 56.48 3dy5 s HIS 442 Cb -0.11 0.00 0.18 0.00 -0.13 0.00 0.00 32.58 32.52 3dy5 s HIS 442 CO 0.49 -1.02 1.18 0.45 -2.47 0.00 0.00 174.74 173.37 3dy5 s SER 443 N 2.60 2.98 0.00 9.88 0.15 -0.26 -1.93 113.70 127.12 3dy5 s SER 443 Ca 0.10 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.46 3dy5 s SER 443 Cb -0.11 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 3dy5 s SER 443 CO -0.28 -2.86 0.00 -0.90 1.20 0.00 0.00 173.24 170.41 3dy5 n ASP 444 N -3.93 0.97 0.00 5.45 5.75 -1.24 -4.79 116.55 118.77 3dy5 n ASP 444 Ca 0.10 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 3dy5 n ASP 444 Cb 0.59 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.97 3dy5 n ASP 444 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dy5 n GLY 445 N 0.58 2.34 3.91 6.12 0.00 -1.26 -5.03 105.19 111.85 3dy5 n GLY 445 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3dy5 n GLY 445 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dy5 n GLY 446 N 0.00 0.16 0.77 -0.02 0.00 -1.26 -4.70 105.19 100.14 3dy5 n GLY 446 Ca 0.00 -1.35 -0.03 0.00 0.00 0.00 0.00 46.02 44.65 3dy5 n GLY 446 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dy5 n GLY 447 N 0.00 -0.10 0.00 -0.02 0.00 -1.26 -5.07 105.19 98.74 3dy5 n GLY 447 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dy5 n GLY 447 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dy5 n SER 450 N -0.04 0.00 0.06 1.61 2.88 -1.26 -5.21 113.62 111.66 3dy5 n SER 450 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 3dy5 n SER 450 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 3dy5 n SER 450 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dy5 n GLY 451 N -1.69 -0.10 2.60 0.46 0.00 -1.26 -5.06 105.19 100.15 3dy5 n GLY 451 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3dy5 n GLY 451 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dy5 s ASP 452 N -5.51 2.68 0.18 1.61 3.68 -1.26 -5.02 116.67 113.04 3dy5 s ASP 452 Ca 0.00 -0.85 0.24 0.00 2.13 0.00 0.00 52.55 54.07 3dy5 s ASP 452 Cb 0.00 -0.19 0.24 0.00 -1.45 0.00 0.00 42.92 41.52 3dy5 s ASP 452 CO 0.00 -0.38 1.26 1.55 0.13 0.00 0.00 175.17 177.73 3dy5 h PRO 453 N 8.40 0.00 -7.14 4.34 0.13 -1.84 -3.29 132.00 132.60 3dy5 h PRO 453 Ca -0.17 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.41 3dy5 h PRO 453 Cb 1.09 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.39 3dy5 h PRO 453 CO 0.35 0.00 0.47 -0.51 -0.23 0.00 0.00 178.00 178.08 3dy5 s ASP 454 N -4.83 4.32 -0.13 1.44 -0.00 -1.26 -4.45 116.67 111.77 3dy5 s ASP 454 Ca 0.04 2.55 -0.03 0.00 -0.00 0.00 0.00 52.55 55.11 3dy5 s ASP 454 Cb 0.11 -2.61 0.05 0.00 -0.00 0.00 0.00 42.92 40.47 3dy5 s ASP 454 CO 0.74 -2.19 0.04 0.86 -0.00 0.00 0.00 175.17 174.62 3dy5 s TRP 455 N -1.61 0.59 -0.77 4.23 -0.00 -1.13 -4.32 118.94 115.93 3dy5 s TRP 455 Ca 0.80 -0.36 -0.16 0.00 -0.00 0.00 0.00 56.10 56.37 3dy5 s TRP 455 Cb -0.35 -0.80 0.16 0.00 -0.00 0.00 0.00 33.47 32.48 3dy5 s TRP 455 CO 0.43 -0.44 0.80 0.12 -0.00 0.00 0.00 176.95 177.86 3dy5 s PHE 456 N 2.00 3.40 -0.21 5.86 5.36 -1.23 0.11 117.98 133.27 3dy5 s PHE 456 Ca 0.02 -1.56 -0.25 0.00 -0.96 0.00 0.00 56.93 54.18 3dy5 s PHE 456 Cb -0.15 -3.96 -0.01 0.00 -0.34 0.00 0.00 43.02 38.56 3dy5 s PHE 456 CO -0.07 -1.17 0.84 0.08 -1.46 0.00 0.00 175.22 173.44 3dy5 s VAL 457 N 1.43 4.85 0.00 3.12 1.01 -1.25 -1.06 120.40 128.50 3dy5 s VAL 457 Ca 0.18 1.61 -0.16 0.00 0.00 0.00 0.00 61.98 63.62 3dy5 s VAL 457 Cb -0.14 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 3dy5 s VAL 457 CO -0.04 -0.03 0.89 0.78 0.00 0.00 0.00 175.10 176.69 3dy5 h ASN 458 N 7.51 -0.48 -5.20 3.32 -0.26 -1.67 -0.45 115.58 118.35 3dy5 h ASN 458 Ca -0.26 0.02 -0.06 0.00 -0.56 0.00 0.00 56.30 55.44 3dy5 h ASN 458 Cb 1.11 0.12 -0.06 0.00 -1.06 0.00 0.00 38.32 38.43 3dy5 h ASN 458 CO 0.86 -0.23 0.01 0.00 -1.06 0.00 0.00 177.43 177.01 3dy5 s ARG 459 N -3.66 1.77 -0.00 0.81 1.70 -1.17 -0.73 118.95 117.66 3dy5 s ARG 459 Ca -0.08 -1.31 0.02 0.00 -0.47 0.00 0.00 55.73 53.89 3dy5 s ARG 459 Cb 0.01 0.52 -0.01 0.00 -0.57 0.00 0.00 34.95 34.90 3dy5 s ARG 459 CO 0.25 -0.77 -0.07 0.08 -1.08 0.00 0.00 175.30 173.71 3dy5 s VAL 460 N -3.56 0.54 -0.24 4.99 1.01 -0.97 -1.48 120.40 120.69 3dy5 s VAL 460 Ca 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 3dy5 s VAL 460 Cb -0.02 -0.46 0.08 0.00 0.00 0.00 0.00 36.38 35.97 3dy5 s VAL 460 CO 0.11 0.14 0.05 -0.63 0.00 0.00 0.00 175.10 174.76 3dy5 s ILE 461 N -0.20 0.75 0.25 2.22 1.01 0.36 -0.85 121.20 124.74 3dy5 s ILE 461 Ca 0.02 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.61 3dy5 s ILE 461 Cb -0.03 -1.35 -0.08 0.00 0.01 0.00 0.00 42.46 41.01 3dy5 s ILE 461 CO -0.00 -0.38 0.61 -0.63 0.00 0.00 0.00 174.94 174.53 3dy5 s ILE 462 N 1.73 4.85 -0.27 2.92 1.01 -0.54 -1.25 121.20 129.65 3dy5 s ILE 462 Ca 0.03 0.64 -0.03 0.00 0.00 0.00 0.00 60.65 61.29 3dy5 s ILE 462 Cb -0.17 -3.62 0.09 0.00 0.01 0.00 0.00 42.46 38.76 3dy5 s ILE 462 CO -0.15 -0.08 0.10 -0.63 0.00 0.00 0.00 174.94 174.17 3dy5 s ILE 463 N -1.84 0.39 0.06 2.92 -1.09 0.25 -1.71 121.20 120.19 3dy5 s ILE 463 Ca 0.49 -0.91 -0.22 0.00 -2.23 0.00 0.00 60.65 57.77 3dy5 s ILE 463 Cb -0.11 -1.21 -0.06 0.00 -1.58 0.00 0.00 42.46 39.49 3dy5 s ILE 463 CO 0.20 -0.58 0.67 -0.55 -1.23 0.00 0.00 174.94 173.45 3dy5 s SER 464 N 1.88 7.14 0.40 3.58 0.15 -1.26 -1.09 113.70 124.50 3dy5 s SER 464 Ca 0.07 1.36 0.19 0.00 0.70 0.00 0.00 55.95 58.26 3dy5 s SER 464 Cb -0.17 -2.42 0.86 0.00 -1.71 0.00 0.00 66.02 62.58 3dy5 s SER 464 CO -0.25 0.14 1.83 0.28 1.20 0.00 0.00 173.24 176.45 3dy5 h SER 465 N 5.12 0.00 0.46 5.45 0.02 -1.77 -3.14 113.55 119.69 3dy5 h SER 465 Ca -0.46 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.25 3dy5 h SER 465 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3dy5 h SER 465 CO 0.68 0.32 -1.01 0.71 -1.14 0.00 0.00 176.83 176.39 3dy5 h THR 466 N 0.00 1.44 -3.68 -2.27 1.35 -1.92 -3.46 112.91 104.38 3dy5 h THR 466 Ca -0.00 -2.64 -0.68 0.00 -0.55 0.00 0.00 66.41 62.53 3dy5 h THR 466 Cb 0.71 2.57 -0.21 0.00 -1.73 0.00 0.00 68.15 69.49 3dy5 h THR 466 CO 0.04 0.78 -0.71 -1.10 -0.25 0.00 0.00 175.52 174.28 3dy5 s GLN 467 N -3.09 2.83 -1.30 4.72 -1.52 -1.19 -5.05 119.66 115.07 3dy5 s GLN 467 Ca -0.05 -0.59 -0.16 0.00 -1.95 0.00 0.00 55.36 52.61 3dy5 s GLN 467 Cb 0.09 -2.58 0.09 0.00 -0.22 0.00 0.00 33.01 30.39 3dy5 s GLN 467 CO 0.86 0.58 1.73 -0.25 -0.25 0.00 0.00 175.29 177.96 3dy5 n ASP 468 N 2.46 4.91 -3.58 5.90 10.43 -1.26 -4.59 116.55 130.82 3dy5 n ASP 468 Ca -0.18 -2.93 -0.07 0.00 2.57 0.00 0.00 54.79 54.18 3dy5 n ASP 468 Cb 0.53 -1.70 -0.04 0.00 1.84 0.00 0.00 41.12 41.75 3dy5 n ASP 468 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3dy5 s ARG 469 N 3.45 0.47 0.14 -1.24 0.52 -1.26 -4.82 118.95 116.21 3dy5 s ARG 469 Ca 0.51 -0.01 -0.00 0.00 -0.52 0.00 0.00 55.73 55.70 3dy5 s ARG 469 Cb 0.04 0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.69 3dy5 s ARG 469 CO 0.05 -0.17 0.31 0.14 0.02 0.00 0.00 175.30 175.65 3dy5 s VAL 470 N -1.72 5.28 -0.42 3.52 -7.23 -1.26 -4.49 120.40 114.08 3dy5 s VAL 470 Ca 0.04 -0.39 0.03 0.00 -1.81 0.00 0.00 61.98 59.85 3dy5 s VAL 470 Cb -0.01 -3.69 0.12 0.00 0.56 0.00 0.00 36.38 33.36 3dy5 s VAL 470 CO -0.03 -0.04 0.17 -0.31 -0.31 0.00 0.00 175.10 174.58 3dy5 s TYR 471 N -1.71 3.05 0.09 2.82 1.51 -0.69 -4.99 117.35 117.43 3dy5 s TYR 471 Ca 0.37 -2.86 -0.31 0.00 -1.01 0.00 0.00 57.07 53.26 3dy5 s TYR 471 Cb -0.12 -2.61 -0.07 0.00 -0.11 0.00 0.00 41.96 39.06 3dy5 s TYR 471 CO 0.28 -0.83 1.27 -1.12 -1.11 0.00 0.00 175.55 174.04 3dy5 s SER 472 N 0.41 6.98 -0.49 2.29 0.01 -1.26 -1.46 113.70 120.17 3dy5 s SER 472 Ca 0.14 2.16 0.06 0.00 1.31 0.00 0.00 55.95 59.62 3dy5 s SER 472 Cb -0.22 -2.58 0.20 0.00 0.21 0.00 0.00 66.02 63.62 3dy5 s SER 472 CO -0.05 -0.54 0.47 0.49 0.41 0.00 0.00 173.24 174.02 3dy5 n PHE 473 N 3.82 0.64 -1.78 2.43 3.01 -0.03 -1.08 117.46 124.47 3dy5 n PHE 473 Ca 0.10 -3.68 -0.35 0.00 1.01 0.00 0.00 57.45 54.52 3dy5 n PHE 473 Cb 0.45 -0.18 0.06 0.00 -0.01 0.00 0.00 39.48 39.79 3dy5 n PHE 473 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3dy5 s PRO 474 N -0.91 2.65 0.00 -1.08 0.04 -1.26 -2.30 135.00 132.14 3dy5 s PRO 474 Ca 0.33 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.17 3dy5 s PRO 474 Cb 0.07 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.72 3dy5 s PRO 474 CO -0.15 -1.45 0.00 0.00 0.04 0.00 0.00 177.00 175.44 3dy5 n PHE 476 N -0.39 -2.62 -3.85 0.00 3.01 -0.18 -4.92 117.46 108.52 3dy5 n PHE 476 Ca 0.00 0.98 -0.12 0.00 1.01 0.00 0.00 57.45 59.33 3dy5 n PHE 476 Cb 0.00 -5.01 -0.12 0.00 -0.01 0.00 0.00 39.48 34.34 3dy5 n PHE 476 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3dy5 s ARG 477 N -6.01 0.18 0.20 -1.08 0.52 -1.24 -5.02 118.95 106.51 3dy5 s ARG 477 Ca 0.38 0.01 -0.31 0.00 -0.52 0.00 0.00 55.73 55.29 3dy5 s ARG 477 Cb -0.17 0.08 -0.11 0.00 0.52 0.00 0.00 34.95 35.27 3dy5 s ARG 477 CO 0.74 -0.03 1.63 -1.58 0.02 0.00 0.00 175.30 176.08 3dy5 s TRP 478 N -0.25 2.96 -0.69 -0.53 0.52 -1.26 -3.89 118.94 115.80 3dy5 s TRP 478 Ca -0.03 0.55 -0.21 0.00 0.02 0.00 0.00 56.10 56.42 3dy5 s TRP 478 Cb -0.02 -4.03 0.09 0.00 -1.15 0.00 0.00 33.47 28.36 3dy5 s TRP 478 CO 0.00 -3.78 0.93 0.08 0.02 0.00 0.00 176.95 174.21 3dy5 s VAL 479 N 0.97 4.51 -0.05 4.03 1.01 0.31 -4.91 120.40 126.28 3dy5 s VAL 479 Ca 0.71 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 3dy5 s VAL 479 Cb -0.47 -4.66 -0.01 0.00 0.00 0.00 0.00 36.38 31.24 3dy5 s VAL 479 CO 0.34 -1.39 -0.07 -0.38 0.00 0.00 0.00 175.10 173.60 3dy5 n ILE 480 N 5.75 0.46 0.00 2.22 5.41 -1.26 -2.85 119.36 129.09 3dy5 n ILE 480 Ca -0.00 0.40 0.00 0.00 1.00 0.00 0.00 62.75 64.15 3dy5 n ILE 480 Cb 0.45 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 3dy5 n ILE 480 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 3dy5 n LYS 481 N -3.03 0.00 -4.33 0.38 2.85 -1.26 -4.55 118.16 108.22 3dy5 n LYS 481 Ca -0.03 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.99 3dy5 n LYS 481 Cb 0.10 -0.19 -0.13 0.00 -0.65 0.00 0.00 35.03 34.16 3dy5 n LYS 481 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3dy5 s ASP 482 N -2.44 2.54 -0.16 -5.58 1.11 -1.26 -1.10 116.67 109.77 3dy5 s ASP 482 Ca 0.00 -0.67 -0.04 0.00 0.18 0.00 0.00 52.55 52.02 3dy5 s ASP 482 Cb 0.00 -0.15 0.08 0.00 1.07 0.00 0.00 42.92 43.92 3dy5 s ASP 482 CO 0.00 0.07 0.23 -0.32 1.18 0.00 0.00 175.17 176.33 3dy5 s MET 483 N -1.82 0.15 -0.19 8.23 -2.45 -1.13 -4.98 119.30 117.11 3dy5 s MET 483 Ca 0.07 0.47 -0.16 0.00 -1.25 0.00 0.00 55.69 54.82 3dy5 s MET 483 Cb -0.10 -0.61 -0.04 0.00 1.25 0.00 0.00 34.83 35.33 3dy5 s MET 483 CO 0.04 -0.46 0.38 0.08 1.05 0.00 0.00 175.02 176.11 3dy5 s VAL 484 N 2.36 5.22 -0.02 10.11 1.01 -1.26 -0.25 120.40 137.56 3dy5 s VAL 484 Ca 0.04 0.68 0.05 0.00 0.00 0.00 0.00 61.98 62.76 3dy5 s VAL 484 Cb -0.14 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3dy5 s VAL 484 CO -0.10 0.28 -0.18 -0.76 0.00 0.00 0.00 175.10 174.35 3dy5 s LEU 485 N 1.11 2.57 0.14 3.92 1.43 -0.21 -5.00 118.68 122.64 3dy5 s LEU 485 Ca 0.19 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 3dy5 s LEU 485 Cb -0.14 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 3dy5 s LEU 485 CO 0.07 0.32 0.27 -0.36 0.23 0.00 0.00 176.35 176.89 3dy5 s PHE 486 N -0.75 3.47 1.18 0.29 0.08 -1.26 -2.21 117.98 118.77 3dy5 s PHE 486 Ca 0.12 0.12 -0.17 0.00 0.12 0.00 0.00 56.93 57.12 3dy5 s PHE 486 Cb -0.10 -1.67 0.21 0.00 -0.57 0.00 0.00 43.02 40.89 3dy5 s PHE 486 CO 0.01 0.52 0.43 -0.35 -0.10 0.00 0.00 175.22 175.74 3dy5 n PRO 487 N -0.48 -2.37 0.00 0.24 -0.04 -1.26 -4.34 135.00 126.74 3dy5 n PRO 487 Ca -0.07 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 3dy5 n PRO 487 Cb 0.54 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 3dy5 n PRO 487 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dy5 n GLY 488 N 1.76 -2.15 2.73 0.55 0.00 -0.24 -4.74 105.19 103.10 3dy5 n GLY 488 Ca 0.03 0.13 -0.50 0.00 0.00 0.00 0.00 46.02 45.68 3dy5 n GLY 488 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dy5 n GLU 489 N -0.28 0.00 -2.56 1.61 4.71 -1.26 -4.77 120.64 118.09 3dy5 n GLU 489 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.81 3dy5 n GLU 489 Cb 0.00 -1.11 -0.04 0.00 -1.01 0.00 0.00 31.44 29.29 3dy5 n GLU 489 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3dy5 s ALA 490 N 2.46 2.89 0.11 0.62 0.00 -1.26 -5.06 121.76 121.52 3dy5 s ALA 490 Ca 0.79 0.60 -0.00 0.00 0.00 0.00 0.00 51.96 53.34 3dy5 s ALA 490 Cb -1.11 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 18.72 3dy5 s ALA 490 CO 0.59 -0.28 0.02 0.95 0.00 0.00 0.00 175.76 177.04 3dy5 s THR 491 N -1.99 0.26 0.23 0.00 -4.23 0.01 -4.87 115.64 105.06 3dy5 s THR 491 Ca 0.67 -1.90 -0.00 0.00 -1.18 0.00 0.00 61.69 59.28 3dy5 s THR 491 Cb -0.16 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 3dy5 s THR 491 CO 0.20 -0.63 0.42 -0.76 -0.54 0.00 0.00 174.62 173.31 3dy5 s LEU 492 N -3.03 4.19 0.13 4.79 1.43 -1.26 -3.66 118.68 121.27 3dy5 s LEU 492 Ca 0.19 0.40 -0.19 0.00 -1.03 0.00 0.00 54.13 53.50 3dy5 s LEU 492 Cb 0.07 -3.19 0.03 0.00 0.03 0.00 0.00 46.19 43.13 3dy5 s LEU 492 CO -0.01 -0.10 1.11 -2.65 0.23 0.00 0.00 176.35 174.93 3dy5 n PRO 493 N -0.92 -0.27 0.00 1.29 -0.02 -1.26 -3.89 135.00 129.93 3dy5 n PRO 493 Ca -0.05 1.10 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 3dy5 n PRO 493 Cb 0.54 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 3dy5 n PRO 493 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3dy5 n PHE 494 N -4.96 0.00 -0.52 6.00 1.16 -1.26 -4.78 117.46 113.10 3dy5 n PHE 494 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.62 3dy5 n PHE 494 Cb 0.22 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.09 3dy5 n PHE 494 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3dy5 n ASN 495 N 0.00 -1.76 -2.94 5.98 5.03 -1.25 -3.87 115.26 116.46 3dy5 n ASN 495 Ca 0.00 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.43 3dy5 n ASN 495 Cb 0.00 -2.23 -0.01 0.00 -1.02 0.00 0.00 39.78 36.51 3dy5 n ASN 495 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 3dy5 n GLU 496 N -0.49 -2.26 -4.25 3.52 -0.00 -1.26 -5.08 120.64 110.83 3dy5 n GLU 496 Ca 0.00 1.92 -0.18 0.00 -0.00 0.00 0.00 57.16 58.90 3dy5 n GLU 496 Cb 0.15 -2.34 -0.11 0.00 -0.00 0.00 0.00 31.44 29.14 3dy5 n GLU 496 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 3dy5 s VAL 497 N -0.42 1.37 0.27 3.84 -7.23 -1.25 -5.11 120.40 111.86 3dy5 s VAL 497 Ca -0.08 -1.76 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 3dy5 s VAL 497 Cb 0.01 -1.58 -0.14 0.00 0.56 0.00 0.00 36.38 35.22 3dy5 s VAL 497 CO 0.28 -0.43 1.03 -2.65 -0.31 0.00 0.00 175.10 173.01 3dy5 n PRO 498 N 0.45 1.30 -0.24 4.82 -0.02 -1.26 -4.70 135.00 135.35 3dy5 n PRO 498 Ca -0.15 0.46 0.13 0.00 -2.02 0.00 0.00 63.50 61.92 3dy5 n PRO 498 Cb 0.57 -1.84 0.26 0.00 -0.02 0.00 0.00 33.50 32.47 3dy5 n PRO 498 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dy5 n ALA 499 N 0.44 0.44 0.07 3.55 0.00 -1.26 -0.36 120.51 123.40 3dy5 n ALA 499 Ca 0.11 0.76 -0.07 0.00 0.00 0.00 0.00 53.44 54.23 3dy5 n ALA 499 Cb 0.31 -0.60 -0.08 0.00 0.00 0.00 0.00 19.45 19.08 3dy5 n ALA 499 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3dy5 h ILE 500 N 0.00 1.66 -0.37 0.00 6.09 -1.99 -2.53 117.51 120.37 3dy5 h ILE 500 Ca 0.47 -3.22 0.07 0.00 -1.37 0.00 0.00 64.86 60.81 3dy5 h ILE 500 Cb 1.05 2.76 -0.06 0.00 0.47 0.00 0.00 36.82 41.04 3dy5 h ILE 500 CO -0.65 0.92 -0.02 0.58 -3.07 0.00 0.00 178.15 175.91 3dy5 h VAL 501 N 0.01 0.70 -0.20 2.19 2.07 -1.01 -2.30 116.25 117.71 3dy5 h VAL 501 Ca -0.02 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3dy5 h VAL 501 Cb 1.70 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 3dy5 h VAL 501 CO 0.13 0.01 0.03 0.28 0.02 0.00 0.00 177.57 178.05 3dy5 h SER 502 N 0.08 0.31 -0.98 0.57 0.02 -1.55 -2.43 113.55 109.56 3dy5 h SER 502 Ca 0.18 -0.26 0.12 0.00 -0.84 0.00 0.00 61.79 60.99 3dy5 h SER 502 Cb 0.26 -0.08 -0.14 0.00 0.14 0.00 0.00 62.40 62.58 3dy5 h SER 502 CO -0.32 0.49 -0.47 -0.62 -1.14 0.00 0.00 176.83 174.76 3dy5 n GLU 503 N -4.75 -0.32 -0.07 3.45 -0.58 -0.96 -0.42 120.64 117.00 3dy5 n GLU 503 Ca -0.04 1.50 -0.06 0.00 -0.42 0.00 0.00 57.16 58.14 3dy5 n GLU 503 Cb 0.19 -2.22 0.12 0.00 -0.57 0.00 0.00 31.44 28.96 3dy5 n GLU 503 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3dy5 h GLN 504 N 0.00 0.72 -0.04 3.49 1.08 -1.32 -2.00 115.11 117.05 3dy5 h GLN 504 Ca 0.26 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3dy5 h GLN 504 Cb 0.50 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3dy5 h GLN 504 CO -0.95 0.86 0.02 -0.09 -0.95 0.00 0.00 178.83 177.72 3dy5 h ARG 505 N 0.64 0.05 -0.78 1.46 2.43 -0.65 -1.11 114.38 116.42 3dy5 h ARG 505 Ca 0.10 -0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.41 3dy5 h ARG 505 Cb 0.67 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.12 3dy5 h ARG 505 CO 0.05 0.04 0.34 1.96 -1.51 0.00 0.00 179.97 180.84 3dy5 h GLN 506 N 0.05 0.48 0.00 0.20 4.20 -0.40 -1.65 115.11 117.98 3dy5 h GLN 506 Ca 0.01 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.71 3dy5 h GLN 506 Cb -0.00 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3dy5 h GLN 506 CO -0.00 0.31 -0.09 0.87 -0.67 0.00 0.00 178.83 179.25 3dy5 h LYS 507 N 0.49 -0.16 -0.12 1.46 1.57 -0.62 -2.13 116.57 117.07 3dy5 h LYS 507 Ca 0.43 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.25 3dy5 h LYS 507 Cb 0.65 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.94 3dy5 h LYS 507 CO -0.40 -0.10 -0.47 1.49 -0.57 0.00 0.00 179.45 179.40 3dy5 h GLU 508 N -0.16 -0.48 -0.19 3.15 4.81 -0.24 0.44 114.58 121.90 3dy5 h GLU 508 Ca 0.03 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3dy5 h GLU 508 Cb 0.20 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.62 3dy5 h GLU 508 CO -0.09 -0.32 -0.29 -0.07 -0.73 0.00 0.00 179.01 177.51 3dy5 h LEU 509 N -0.50 -0.92 -0.86 1.64 3.38 -1.53 0.28 115.31 116.80 3dy5 h LEU 509 Ca 0.03 0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.27 3dy5 h LEU 509 Cb 0.58 0.41 -0.14 0.00 0.09 0.00 0.00 40.66 41.60 3dy5 h LEU 509 CO -0.38 -0.33 -0.40 -0.33 0.09 0.00 0.00 178.44 177.09 3dy5 h GLU 510 N -0.33 -0.06 -0.25 1.13 5.08 -0.69 0.92 114.58 120.38 3dy5 h GLU 510 Ca 0.12 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3dy5 h GLU 510 Cb 0.51 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3dy5 h GLU 510 CO -0.38 -0.04 0.00 0.37 -1.00 0.00 0.00 179.01 177.96 3dy5 h GLN 511 N -0.07 0.37 -0.27 2.33 5.75 0.35 -2.69 115.11 120.89 3dy5 h GLN 511 Ca 0.28 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.74 3dy5 h GLN 511 Cb 0.57 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 3dy5 h GLN 511 CO -0.88 0.40 0.18 0.00 -2.65 0.00 0.00 178.83 175.88 3dy5 h ARG 512 N 0.36 0.28 0.00 1.69 2.47 0.21 -0.27 114.38 119.12 3dy5 h ARG 512 Ca 0.08 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 3dy5 h ARG 512 Cb 0.24 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3dy5 h ARG 512 CO 0.01 0.19 0.00 1.63 0.56 0.00 0.00 179.97 182.35 3dy5 n LYS 513 N -4.50 0.21 0.06 0.04 4.01 -1.01 -1.84 118.16 115.13 3dy5 n LYS 513 Ca 0.02 0.39 -0.08 0.00 -0.51 0.00 0.00 58.31 58.13 3dy5 n LYS 513 Cb 0.12 -1.86 -0.12 0.00 -0.51 0.00 0.00 35.03 32.66 3dy5 n LYS 513 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 3dy5 h LEU 514 N 0.00 0.03 0.00 -0.35 4.07 -1.15 -3.39 115.31 114.51 3dy5 h LEU 514 Ca 0.00 -0.03 -0.32 0.00 0.08 0.00 0.00 57.88 57.61 3dy5 h LEU 514 Cb 0.42 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.09 3dy5 h LEU 514 CO 0.00 1.02 -2.20 0.35 -1.08 0.00 0.00 178.44 176.53 3dy5 n THR 515 N -3.36 1.21 -3.45 0.22 -2.24 -1.11 -4.84 114.28 100.71 3dy5 n THR 515 Ca -0.01 -0.52 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 3dy5 n THR 515 Cb 0.95 -1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 68.00 3dy5 n THR 515 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3dy5 s TYR 516 N -2.42 3.31 0.41 4.78 1.51 -0.77 -4.86 117.35 119.31 3dy5 s TYR 516 Ca -0.24 -1.39 0.07 0.00 -1.01 0.00 0.00 57.07 54.50 3dy5 s TYR 516 Cb 0.07 -3.39 -0.05 0.00 -0.11 0.00 0.00 41.96 38.48 3dy5 s TYR 516 CO 0.54 -0.92 0.19 -0.65 -1.11 0.00 0.00 175.55 173.59 3dy5 s GLN 517 N 1.52 2.26 0.23 -0.62 -0.21 -1.26 -4.59 119.66 116.98 3dy5 s GLN 517 Ca 0.04 -1.79 -0.12 0.00 0.02 0.00 0.00 55.36 53.51 3dy5 s GLN 517 Cb -0.26 -2.03 -0.07 0.00 1.00 0.00 0.00 33.01 31.64 3dy5 s GLN 517 CO 0.03 -0.10 0.58 -1.58 -2.12 0.00 0.00 175.29 172.10 3dy5 s TRP 518 N -2.57 3.46 0.15 0.91 0.52 -1.26 -1.84 118.94 118.30 3dy5 s TRP 518 Ca 0.41 0.98 -0.13 0.00 0.02 0.00 0.00 56.10 57.38 3dy5 s TRP 518 Cb 0.03 -2.33 0.01 0.00 -1.15 0.00 0.00 33.47 30.03 3dy5 s TRP 518 CO 0.23 0.28 0.35 0.34 0.02 0.00 0.00 176.95 178.17 3dy5 s ASP 519 N -2.19 -0.09 -0.07 2.95 -1.08 0.23 -4.52 116.67 111.90 3dy5 s ASP 519 Ca 0.46 -0.59 -0.05 0.00 -0.52 0.00 0.00 52.55 51.86 3dy5 s ASP 519 Cb -0.12 0.46 0.03 0.00 -1.46 0.00 0.00 42.92 41.83 3dy5 s ASP 519 CO 0.20 -0.89 0.18 -0.31 0.52 0.00 0.00 175.17 174.87 3dy5 s TYR 520 N -3.88 -0.21 0.06 -5.34 1.51 -1.26 0.85 117.35 109.08 3dy5 s TYR 520 Ca 0.09 0.53 -0.29 0.00 -1.01 0.00 0.00 57.07 56.39 3dy5 s TYR 520 Cb 0.02 0.01 -0.18 0.00 -0.11 0.00 0.00 41.96 41.71 3dy5 s TYR 520 CO -0.06 -0.14 1.57 0.28 -1.11 0.00 0.00 175.55 176.08 3dy5 h VAL 521 N 5.46 0.55 -4.20 0.71 2.07 -1.88 -3.47 116.25 115.49 3dy5 h VAL 521 Ca -0.34 -0.12 -0.15 0.00 0.82 0.00 0.00 66.70 66.91 3dy5 h VAL 521 Cb 1.17 0.61 -0.14 0.00 -1.52 0.00 0.00 31.29 31.41 3dy5 h VAL 521 CO 0.40 0.02 -0.52 -0.94 0.02 0.00 0.00 177.57 176.56 3dy5 s SER 522 N -4.70 0.21 0.62 0.57 1.04 -1.26 -5.04 113.70 105.14 3dy5 s SER 522 Ca -0.16 -1.06 0.27 0.00 0.48 0.00 0.00 55.95 55.48 3dy5 s SER 522 Cb 0.04 0.34 1.35 0.00 0.10 0.00 0.00 66.02 67.86 3dy5 s SER 522 CO 0.61 -0.78 1.77 0.44 0.98 0.00 0.00 173.24 176.26 3dy5 h ASP 523 N 2.76 0.00 -0.02 7.02 3.32 -2.01 -1.63 116.42 125.86 3dy5 h ASP 523 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3dy5 h ASP 523 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3dy5 h ASP 523 CO 0.55 0.00 -0.12 0.47 -1.72 0.00 0.00 179.24 178.42 3dy5 n ASP 524 N -3.31 2.05 -4.88 6.45 8.00 -1.26 -4.85 116.55 118.75 3dy5 n ASP 524 Ca 0.06 -1.52 -0.32 0.00 0.71 0.00 0.00 54.79 53.72 3dy5 n ASP 524 Cb 0.69 0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 41.92 3dy5 n ASP 524 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3dy5 s MET 525 N -1.53 3.76 0.85 -1.24 -1.94 -0.61 -4.74 119.30 113.83 3dy5 s MET 525 Ca 0.16 0.19 -0.12 0.00 -1.71 0.00 0.00 55.69 54.21 3dy5 s MET 525 Cb 0.13 -2.69 0.10 0.00 2.01 0.00 0.00 34.83 34.38 3dy5 s MET 525 CO 0.27 0.34 1.15 -0.35 -0.01 0.00 0.00 175.02 176.42 3dy5 n PRO 526 N -0.12 -0.03 -1.75 2.03 -0.04 -1.26 -4.80 135.00 129.03 3dy5 n PRO 526 Ca -0.00 0.07 -0.34 0.00 -0.04 0.00 0.00 63.50 63.19 3dy5 n PRO 526 Cb 0.52 -2.39 0.05 0.00 -0.04 0.00 0.00 33.50 31.65 3dy5 n PRO 526 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3dy5 s GLY 527 N -2.26 2.35 0.16 0.55 0.00 -0.09 -4.65 107.32 103.38 3dy5 s GLY 527 Ca 0.71 0.74 -0.05 0.00 0.00 0.00 0.00 44.72 46.12 3dy5 s GLY 527 CO 0.54 1.12 0.18 0.54 0.00 0.00 0.00 173.10 175.48 3dy5 s ASN 528 N -2.19 0.15 0.16 1.64 4.22 0.25 -4.00 114.94 115.17 3dy5 s ASN 528 Ca 0.71 -1.08 -0.30 0.00 -2.14 0.00 0.00 52.86 50.05 3dy5 s ASN 528 Cb -0.25 0.38 -0.07 0.00 1.28 0.00 0.00 41.25 42.59 3dy5 s ASN 528 CO 0.40 -0.84 1.11 -0.51 -2.04 0.00 0.00 177.10 175.22 3dy5 s ILE 529 N -4.03 3.93 -0.28 0.54 2.07 -1.26 0.78 121.20 122.96 3dy5 s ILE 529 Ca 0.23 1.62 -0.29 0.00 -1.41 0.00 0.00 60.65 60.80 3dy5 s ILE 529 Cb 0.05 -4.03 -0.00 0.00 0.13 0.00 0.00 42.46 38.61 3dy5 s ILE 529 CO 0.03 0.25 1.29 -0.75 -1.91 0.00 0.00 174.94 173.86 3dy5 s LYS 530 N -0.13 3.97 -0.23 3.50 2.20 -0.77 -4.71 119.74 123.57 3dy5 s LYS 530 Ca 0.51 1.31 -0.32 0.00 -0.36 0.00 0.00 55.97 57.11 3dy5 s LYS 530 Cb -0.29 -3.86 0.16 0.00 -1.51 0.00 0.00 37.83 32.33 3dy5 s LYS 530 CO 0.34 -1.05 1.24 0.00 -0.36 0.00 0.00 175.35 175.51 3dy5 s ALA 531 N 4.23 -2.07 -0.20 3.13 0.00 -1.26 -4.76 121.76 120.84 3dy5 s ALA 531 Ca 0.56 1.74 -0.01 0.00 0.00 0.00 0.00 51.96 54.24 3dy5 s ALA 531 Cb -0.17 -0.83 -0.21 0.00 0.00 0.00 0.00 23.12 21.90 3dy5 s ALA 531 CO 0.22 -0.39 0.05 1.17 0.00 0.00 0.00 175.76 176.80 3dy5 n LYS 532 N 0.32 0.70 -2.83 0.00 4.81 -1.26 -5.05 118.16 114.86 3dy5 n LYS 532 Ca -0.02 0.20 -0.08 0.00 -0.87 0.00 0.00 58.31 57.54 3dy5 n LYS 532 Cb 0.58 -1.61 -0.03 0.00 0.02 0.00 0.00 35.03 34.00 3dy5 n LYS 532 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3dy5 n THR 533 N -3.35 0.00 0.01 3.15 -2.24 -1.26 -4.97 114.28 105.62 3dy5 n THR 533 Ca -0.39 -0.87 -0.13 0.00 -2.27 0.00 0.00 64.05 60.39 3dy5 n THR 533 Cb 1.02 0.39 -0.09 0.00 -2.10 0.00 0.00 70.33 69.54 3dy5 n THR 533 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3dy5 h HIS 534 N 1.33 -0.03 0.00 4.78 -0.00 -1.93 -2.77 115.15 116.52 3dy5 h HIS 534 Ca -0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 3dy5 h HIS 534 Cb 0.43 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.85 3dy5 h HIS 534 CO 0.00 0.32 0.00 -0.44 -0.00 0.00 0.00 177.93 177.81 3dy5 h ASP 535 N -0.39 0.00 0.04 3.26 3.45 -1.99 -2.05 116.42 118.74 3dy5 h ASP 535 Ca -0.00 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.42 3dy5 h ASP 535 Cb 0.37 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.13 3dy5 h ASP 535 CO 0.01 0.00 -0.09 -0.78 -1.57 0.00 0.00 179.24 176.80 3dy5 h ASP 536 N 0.00 0.14 -4.30 6.45 1.82 -1.90 -3.45 116.42 115.17 3dy5 h ASP 536 Ca 0.00 -0.02 -0.51 0.00 -0.39 0.00 0.00 57.03 56.11 3dy5 h ASP 536 Cb 0.30 -0.04 0.09 0.00 0.68 0.00 0.00 39.33 40.37 3dy5 h ASP 536 CO 0.00 0.25 0.37 -0.76 -1.61 0.00 0.00 179.24 177.50 3dy5 s LEU 537 N -8.83 3.23 0.70 2.28 1.02 -0.77 -4.90 118.68 111.40 3dy5 s LEU 537 Ca -0.05 1.67 -0.14 0.00 0.02 0.00 0.00 54.13 55.63 3dy5 s LEU 537 Cb 0.16 -4.51 0.02 0.00 0.02 0.00 0.00 46.19 41.88 3dy5 s LEU 537 CO 0.71 -1.37 1.12 -2.16 0.02 0.00 0.00 176.35 174.68 3dy5 s PRO 538 N -4.78 2.55 0.09 1.29 0.04 -1.26 -4.94 135.00 127.99 3dy5 s PRO 538 Ca 0.59 1.43 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 3dy5 s PRO 538 Cb -0.14 -1.92 -0.16 0.00 0.04 0.00 0.00 34.50 32.32 3dy5 s PRO 538 CO 0.50 -1.45 1.29 -0.09 0.04 0.00 0.00 177.00 177.29 3dy5 h ARG 539 N -0.25 0.75 0.00 4.56 9.65 -1.96 -3.10 114.38 124.02 3dy5 h ARG 539 Ca -0.46 -0.61 0.00 0.00 -1.10 0.00 0.00 59.98 57.81 3dy5 h ARG 539 Cb 1.25 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.96 3dy5 h ARG 539 CO 0.52 1.22 0.18 -0.25 2.80 0.00 0.00 179.97 184.44 3dy5 n ASP 540 N -4.00 0.13 0.00 -3.80 8.00 -1.26 -1.24 116.55 114.38 3dy5 n ASP 540 Ca -0.07 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.86 3dy5 n ASP 540 Cb 0.71 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 3dy5 n ASP 540 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3dy5 n VAL 541 N -1.59 0.00 -1.61 2.53 0.24 -1.18 -5.00 118.33 111.72 3dy5 n VAL 541 Ca -0.00 -0.46 -0.31 0.00 -2.04 0.00 0.00 64.34 61.53 3dy5 n VAL 541 Cb 0.18 1.05 0.06 0.00 -1.47 0.00 0.00 33.84 33.67 3dy5 n VAL 541 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3dy5 s GLN 542 N -0.25 2.72 0.36 7.34 -0.21 -0.37 -3.50 119.66 125.74 3dy5 s GLN 542 Ca 0.00 0.80 -0.29 0.00 0.02 0.00 0.00 55.36 55.90 3dy5 s GLN 542 Cb 0.00 -1.98 -0.11 0.00 1.00 0.00 0.00 33.01 31.92 3dy5 s GLN 542 CO 0.00 -1.21 1.53 -0.06 -2.12 0.00 0.00 175.29 173.42 3dy5 s PHE 543 N -3.11 2.61 0.08 0.91 0.08 -1.26 -4.95 117.98 112.34 3dy5 s PHE 543 Ca 0.59 1.05 -0.32 0.00 0.12 0.00 0.00 56.93 58.36 3dy5 s PHE 543 Cb -0.14 -4.06 -0.11 0.00 -0.57 0.00 0.00 43.02 38.15 3dy5 s PHE 543 CO 0.54 -3.23 1.83 0.25 -0.10 0.00 0.00 175.22 174.52 3dy5 n THR 544 N 0.92 0.41 0.17 0.64 -2.24 -1.26 -4.65 114.28 108.26 3dy5 n THR 544 Ca 0.03 -0.07 0.13 0.00 -2.27 0.00 0.00 64.05 61.87 3dy5 n THR 544 Cb 0.39 -2.04 0.42 0.00 -2.10 0.00 0.00 70.33 66.99 3dy5 n THR 544 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3dy5 h ASP 545 N 8.61 0.00 -0.12 3.42 5.19 -1.92 1.64 116.42 133.24 3dy5 h ASP 545 Ca -0.47 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.78 3dy5 h ASP 545 Cb 1.24 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.75 3dy5 h ASP 545 CO 0.94 0.00 -0.57 -0.33 -3.12 0.00 0.00 179.24 176.16 3dy5 h GLU 546 N 0.00 0.59 -0.05 3.56 3.07 -1.92 1.50 114.58 121.34 3dy5 h GLU 546 Ca 0.14 -0.48 -0.19 0.00 -0.50 0.00 0.00 59.36 58.33 3dy5 h GLU 546 Cb 1.74 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.74 3dy5 h GLU 546 CO -0.00 1.10 -0.77 -0.22 -1.40 0.00 0.00 179.01 177.72 3dy5 h LYS 547 N 0.23 0.33 -0.45 2.33 3.64 0.15 -0.31 116.57 122.49 3dy5 h LYS 547 Ca -0.04 -0.29 -0.04 0.00 -1.27 0.00 0.00 60.65 59.01 3dy5 h LYS 547 Cb 1.21 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 3dy5 h LYS 547 CO 0.12 0.95 0.14 1.03 -2.27 0.00 0.00 179.45 179.42 3dy5 h SER 548 N 0.22 0.66 0.32 4.20 0.87 0.11 -2.11 113.55 117.81 3dy5 h SER 548 Ca -0.04 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.30 3dy5 h SER 548 Cb 1.35 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3dy5 h SER 548 CO 0.13 0.69 -0.15 -0.09 -0.53 0.00 0.00 176.83 176.87 3dy5 h ARG 549 N 0.59 -0.41 -0.97 2.24 2.43 0.22 -2.63 114.38 115.84 3dy5 h ARG 549 Ca 0.14 0.03 0.30 0.00 -0.81 0.00 0.00 59.98 59.64 3dy5 h ARG 549 Cb 0.27 0.09 -0.15 0.00 -0.42 0.00 0.00 29.97 29.76 3dy5 h ARG 549 CO -0.00 -0.21 0.48 1.03 -1.51 0.00 0.00 179.97 179.76 3dy5 h SER 550 N -0.52 0.38 0.39 -3.80 0.87 -0.80 0.91 113.55 110.98 3dy5 h SER 550 Ca -0.04 0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 3dy5 h SER 550 Cb 0.39 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3dy5 h SER 550 CO 0.07 -0.14 -0.19 0.22 -0.53 0.00 0.00 176.83 176.26 3dy5 h TYR 551 N 0.29 -0.48 -1.00 2.24 3.20 -1.38 -2.40 116.97 117.43 3dy5 h TYR 551 Ca 0.69 -0.01 0.29 0.00 3.14 0.00 0.00 58.73 62.83 3dy5 h TYR 551 Cb 1.52 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.91 3dy5 h TYR 551 CO -0.08 -0.30 0.72 1.96 -1.64 0.00 0.00 178.16 178.82 3dy5 h GLN 552 N -0.86 0.03 0.30 1.82 1.08 -0.49 -1.08 115.11 115.91 3dy5 h GLN 552 Ca -0.05 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3dy5 h GLN 552 Cb 0.40 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 3dy5 h GLN 552 CO 0.09 0.02 -0.14 0.93 -0.95 0.00 0.00 178.83 178.78 3dy5 h GLU 553 N 0.03 -0.38 0.00 1.46 4.39 0.70 -3.09 114.58 117.70 3dy5 h GLU 553 Ca 0.48 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.21 3dy5 h GLU 553 Cb 1.88 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 3dy5 h GLU 553 CO -0.02 -0.26 0.05 0.66 -1.16 0.00 0.00 179.01 178.28 3dy5 h SER 554 N -0.53 0.00 0.00 1.42 4.64 -0.70 0.37 113.55 118.74 3dy5 h SER 554 Ca -0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3dy5 h SER 554 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3dy5 h SER 554 CO 0.07 0.00 -0.00 0.03 -0.87 0.00 0.00 176.83 176.06 3dy5 h ARG 555 N 0.00 -0.00 -0.88 4.77 2.47 -1.30 -2.46 114.38 116.97 3dy5 h ARG 555 Ca 0.00 0.00 0.17 0.00 -1.26 0.00 0.00 59.98 58.89 3dy5 h ARG 555 Cb 0.09 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.31 3dy5 h ARG 555 CO 0.00 -0.00 0.45 -0.22 0.56 0.00 0.00 179.97 180.76 3dy5 h LYS 556 N -0.01 0.58 -0.83 0.04 3.64 -1.27 -1.96 116.57 116.77 3dy5 h LYS 556 Ca -0.00 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3dy5 h LYS 556 Cb 0.00 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.63 3dy5 h LYS 556 CO 0.00 0.38 0.50 0.00 -2.27 0.00 0.00 179.45 178.06 3dy5 h ALA 557 N 1.60 1.14 0.01 5.00 0.00 -0.40 -1.34 119.26 125.27 3dy5 h ALA 557 Ca 0.50 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.31 3dy5 h ALA 557 Cb 0.77 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.37 3dy5 h ALA 557 CO -0.40 0.20 -0.42 0.00 0.00 0.00 0.00 179.25 178.63 3dy5 h ALA 558 N 1.41 0.04 -0.58 0.00 0.00 -0.98 -3.25 119.26 115.90 3dy5 h ALA 558 Ca 0.37 -0.52 0.17 0.00 0.00 0.00 0.00 54.91 54.93 3dy5 h ALA 558 Cb 0.23 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3dy5 h ALA 558 CO -0.19 0.21 0.47 1.25 0.00 0.00 0.00 179.25 180.98 3dy5 h LEU 559 N -0.35 0.00 -1.52 0.00 5.85 -1.13 0.64 115.31 118.79 3dy5 h LEU 559 Ca -0.05 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3dy5 h LEU 559 Cb 1.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3dy5 h LEU 559 CO 0.08 0.00 -0.25 1.62 -0.34 0.00 0.00 178.44 179.55 3dy5 h VAL 560 N 0.00 1.12 0.00 1.05 3.04 -1.28 -3.17 116.25 117.01 3dy5 h VAL 560 Ca 0.28 -0.86 -0.18 0.00 -1.01 0.00 0.00 66.70 64.93 3dy5 h VAL 560 Cb 1.21 1.47 -0.02 0.00 -2.01 0.00 0.00 31.29 31.94 3dy5 h VAL 560 CO -0.00 0.24 -0.83 0.78 -1.01 0.00 0.00 177.57 176.75 3dy5 h ASN 561 N 0.00 0.08 -0.48 3.17 2.35 0.19 -2.26 115.58 118.63 3dy5 h ASN 561 Ca -0.00 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 3dy5 h ASN 561 Cb 0.45 -0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.74 3dy5 h ASN 561 CO 0.03 0.87 0.12 0.00 -1.65 0.00 0.00 177.43 176.80 3dy5 n LEU 562 N -3.61 4.64 -0.07 1.61 -0.00 -1.20 -1.45 117.00 116.92 3dy5 n LEU 562 Ca -0.01 -2.38 0.00 0.00 -0.00 0.00 0.00 56.01 53.61 3dy5 n LEU 562 Cb 0.78 -0.66 0.00 0.00 -0.00 0.00 0.00 43.42 43.55 3dy5 n LEU 562 CO 0.45 0.61 0.29 0.61 -0.00 0.00 0.00 177.39 179.35 3dy5 n GLY 563 N 0.16 -1.65 0.00 1.47 0.00 -1.12 -4.50 105.19 99.54 3dy5 n GLY 563 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3dy5 n GLY 563 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3dy5 n ILE 564 N -0.09 0.00 -0.05 -0.61 0.13 -0.87 -4.75 119.36 113.12 3dy5 n ILE 564 Ca 0.00 -0.02 0.01 0.00 -1.10 0.00 0.00 62.75 61.65 3dy5 n ILE 564 Cb 0.50 0.28 -0.16 0.00 -0.84 0.00 0.00 39.64 39.42 3dy5 n ILE 564 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3dy5 n GLY 565 N 0.37 -0.98 0.17 4.50 0.00 -0.53 -4.54 105.19 104.17 3dy5 n GLY 565 Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.63 3dy5 n GLY 565 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dy5 h SER 566 N 0.00 0.00 0.04 1.61 4.64 -1.79 -3.50 113.55 114.54 3dy5 h SER 566 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3dy5 h SER 566 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 3dy5 h SER 566 CO 0.01 0.46 0.00 0.18 -0.87 0.00 0.00 176.83 176.61 3dy5 n LEU 567 N -3.45 0.00 0.00 5.97 4.77 -1.26 -5.06 117.00 117.97 3dy5 n LEU 567 Ca 0.00 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3dy5 n LEU 567 Cb 0.60 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3dy5 n LEU 567 CO 0.39 -0.01 0.00 -2.67 -1.33 0.00 0.00 177.39 173.76 3dy5 n TRP 599 N -1.03 0.00 -1.84 -1.77 2.14 -1.26 -5.07 117.44 108.61 3dy5 n TRP 599 Ca 0.15 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.72 3dy5 n TRP 599 Cb 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.58 3dy5 n TRP 599 CO 0.00 0.00 0.00 -2.39 2.07 0.00 0.00 177.69 177.37 3dy5 n HIS 600 N -2.00 0.00 -0.99 -2.67 1.44 -1.26 -4.76 115.22 104.98 3dy5 n HIS 600 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 3dy5 n HIS 600 Cb 0.00 -0.03 0.13 0.00 0.12 0.00 0.00 29.99 30.21 3dy5 n HIS 600 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3dy5 s GLU 601 N 0.00 1.58 0.14 -1.40 0.41 -1.26 -4.64 118.70 113.54 3dy5 s GLU 601 Ca 0.00 1.46 -0.31 0.00 -0.41 0.00 0.00 54.97 55.72 3dy5 s GLU 601 Cb 0.00 -1.80 -0.08 0.00 -1.78 0.00 0.00 34.13 30.47 3dy5 s GLU 601 CO 0.00 -2.20 1.52 -0.44 -0.49 0.00 0.00 175.26 173.66 3dy5 h ASP 602 N -1.38 -1.97 -0.53 -0.19 5.19 -1.97 0.29 116.42 115.85 3dy5 h ASP 602 Ca -0.44 0.28 0.10 0.00 -0.62 0.00 0.00 57.03 56.36 3dy5 h ASP 602 Cb 1.26 0.85 -0.11 0.00 0.18 0.00 0.00 39.33 41.51 3dy5 h ASP 602 CO 0.46 -0.30 -0.26 -0.09 -3.12 0.00 0.00 179.24 175.93 3dy5 h ARG 603 N -0.17 -0.13 -0.19 3.56 2.43 -1.93 0.50 114.38 118.46 3dy5 h ARG 603 Ca 0.12 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 3dy5 h ARG 603 Cb 0.47 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3dy5 h ARG 603 CO -0.76 -0.09 -0.24 -1.49 -1.51 0.00 0.00 179.97 175.88 3dy5 h TRP 604 N -0.13 0.60 -0.11 2.20 4.06 -1.76 -1.08 115.95 119.72 3dy5 h TRP 604 Ca 0.24 -0.19 0.03 0.00 2.06 0.00 0.00 58.89 61.02 3dy5 h TRP 604 Cb 0.51 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 28.54 3dy5 h TRP 604 CO -0.55 0.88 0.31 0.35 -3.56 0.00 0.00 178.44 175.87 3dy5 h PHE 605 N 0.15 0.00 0.00 0.49 3.57 0.88 0.35 116.94 122.38 3dy5 h PHE 605 Ca 0.02 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3dy5 h PHE 605 Cb 0.80 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 3dy5 h PHE 605 CO 0.09 0.00 -0.07 0.78 -2.23 0.00 0.00 178.31 176.88 3dy5 h GLY 606 N 0.00 0.00 -0.59 2.40 0.00 -0.52 -3.35 103.07 101.01 3dy5 h GLY 606 Ca 0.05 0.00 0.36 0.00 0.00 0.00 0.00 47.33 47.74 3dy5 h GLY 606 CO -0.00 0.00 0.86 -1.82 0.00 0.00 0.00 176.54 175.58 3dy5 h TYR 607 N -1.00 0.29 -0.27 5.60 -0.00 0.91 0.26 116.97 122.76 3dy5 h TYR 607 Ca -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.72 3dy5 h TYR 607 Cb 0.88 -0.08 0.00 0.00 -0.00 0.00 0.00 36.73 37.53 3dy5 h TYR 607 CO 0.23 -0.02 0.00 0.00 -0.00 0.00 0.00 178.16 178.37 3dy5 n GLN 608 N -4.38 1.75 -0.10 1.82 -0.00 -0.20 -2.00 117.38 114.27 3dy5 n GLN 608 Ca 0.29 -1.01 -0.20 0.00 -0.00 0.00 0.00 57.00 56.09 3dy5 n GLN 608 Cb 1.25 -1.29 -0.07 0.00 -0.00 0.00 0.00 30.24 30.12 3dy5 n GLN 608 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3dy5 n PHE 609 N 0.29 0.00 0.00 2.61 3.01 0.89 -3.14 117.46 121.12 3dy5 n PHE 609 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 3dy5 n PHE 609 Cb 0.28 -0.71 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 3dy5 n PHE 609 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3dy5 n LEU 610 N -3.72 0.00 -0.05 4.37 4.77 -1.06 -4.03 117.00 117.28 3dy5 n LEU 610 Ca -0.38 0.15 0.13 0.00 -0.03 0.00 0.00 56.01 55.88 3dy5 n LEU 610 Cb 0.79 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 42.24 3dy5 n LEU 610 CO 0.05 0.00 0.61 0.59 -1.33 0.00 0.00 177.39 177.31 3dy5 n ASN 611 N -0.21 0.51 0.00 -1.43 5.03 -0.85 -4.50 115.26 113.81 3dy5 n ASN 611 Ca 0.00 -0.28 0.00 0.00 0.87 0.00 0.00 54.58 55.17 3dy5 n ASN 611 Cb 0.00 0.09 0.00 0.00 -1.02 0.00 0.00 39.78 38.85 3dy5 n ASN 611 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dy5 n GLY 612 N 1.45 -1.92 0.00 7.41 0.00 -1.01 -4.79 105.19 106.33 3dy5 n GLY 612 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3dy5 n GLY 612 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dy5 n ALA 613 N -3.00 0.00 -2.61 4.61 0.00 -1.19 -4.79 120.51 113.53 3dy5 n ALA 613 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3dy5 n ALA 613 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3dy5 n ALA 613 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3dy5 s ASN 614 N -1.00 6.71 -0.75 0.00 3.84 -1.26 -4.86 114.94 117.62 3dy5 s ASN 614 Ca 0.00 0.63 0.03 0.00 0.21 0.00 0.00 52.86 53.72 3dy5 s ASN 614 Cb 0.00 -2.51 0.33 0.00 -0.55 0.00 0.00 41.25 38.53 3dy5 s ASN 614 CO 0.00 -0.99 1.30 -0.81 -2.79 0.00 0.00 177.10 173.80 3dy5 n PRO 615 N 7.13 4.08 0.00 0.43 -0.04 -1.26 -4.62 135.00 140.73 3dy5 n PRO 615 Ca 0.10 -4.78 0.00 0.00 -0.04 0.00 0.00 63.50 58.78 3dy5 n PRO 615 Cb 0.48 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 3dy5 n PRO 615 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3dy5 n VAL 616 N -0.18 0.00 1.00 0.52 3.14 -1.26 -4.79 118.33 116.75 3dy5 n VAL 616 Ca 0.37 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.86 3dy5 n VAL 616 Cb 0.34 -0.46 -0.01 0.00 -1.06 0.00 0.00 33.84 32.66 3dy5 n VAL 616 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3dy5 n ILE 617 N -2.32 0.00 -2.20 1.55 3.06 -1.26 -4.84 119.36 113.34 3dy5 n ILE 617 Ca 0.00 -0.26 -0.43 0.00 -2.50 0.00 0.00 62.75 59.56 3dy5 n ILE 617 Cb 0.43 1.26 -0.02 0.00 0.54 0.00 0.00 39.64 41.84 3dy5 n ILE 617 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 3dy5 s LEU 618 N -2.48 4.05 0.23 9.51 2.96 -1.26 -3.97 118.68 127.72 3dy5 s LEU 618 Ca 0.18 1.72 0.05 0.00 -0.22 0.00 0.00 54.13 55.86 3dy5 s LEU 618 Cb 0.18 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.28 3dy5 s LEU 618 CO 0.57 -1.05 -0.05 0.42 -1.32 0.00 0.00 176.35 174.92 3dy5 s THR 619 N 4.44 1.30 0.46 3.68 -4.23 -0.73 -4.99 115.64 115.57 3dy5 s THR 619 Ca 0.66 -2.08 -0.24 0.00 -1.18 0.00 0.00 61.69 58.84 3dy5 s THR 619 Cb -0.25 -2.25 -0.07 0.00 1.34 0.00 0.00 72.50 71.27 3dy5 s THR 619 CO 0.25 -0.43 1.36 -0.60 -0.54 0.00 0.00 174.62 174.66 3dy5 s ARG 620 N -3.78 3.63 -0.41 3.99 3.52 -0.19 -0.68 118.95 125.02 3dy5 s ARG 620 Ca 0.26 2.26 -0.27 0.00 -0.13 0.00 0.00 55.73 57.85 3dy5 s ARG 620 Cb 0.04 -2.56 0.02 0.00 -1.56 0.00 0.00 34.95 30.89 3dy5 s ARG 620 CO 0.08 -0.81 0.98 0.00 -0.81 0.00 0.00 175.30 174.74 3dy5 n ASP 622 N 7.11 0.50 -3.65 0.00 8.00 -1.26 -4.71 116.55 122.54 3dy5 n ASP 622 Ca 0.08 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.82 3dy5 n ASP 622 Cb 0.48 0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 41.95 3dy5 n ASP 622 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dy5 s ALA 623 N -2.60 -2.49 0.29 2.24 0.00 -1.26 -4.88 121.76 113.06 3dy5 s ALA 623 Ca -0.07 1.94 -0.30 0.00 0.00 0.00 0.00 51.96 53.54 3dy5 s ALA 623 Cb 0.07 -1.89 -0.12 0.00 0.00 0.00 0.00 23.12 21.18 3dy5 s ALA 623 CO 0.83 -0.27 1.42 1.28 0.00 0.00 0.00 175.76 179.02 3dy5 n LEU 624 N 2.82 3.66 -4.84 0.00 4.32 -1.26 -4.98 117.00 116.72 3dy5 n LEU 624 Ca -0.16 1.17 -0.30 0.00 -0.02 0.00 0.00 56.01 56.70 3dy5 n LEU 624 Cb 0.57 -1.50 0.06 0.00 -1.62 0.00 0.00 43.42 40.92 3dy5 n LEU 624 CO 0.05 -0.28 0.72 -2.16 -1.22 0.00 0.00 177.39 174.49 3dy5 s PRO 625 N -0.99 2.76 0.01 3.23 0.04 -1.26 -4.95 135.00 133.85 3dy5 s PRO 625 Ca 0.62 0.71 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 3dy5 s PRO 625 Cb -0.58 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.97 3dy5 s PRO 625 CO 0.54 -1.16 0.94 0.45 0.04 0.00 0.00 177.00 177.81 3dy5 n SER 626 N -3.14 -0.10 -2.13 6.66 2.88 -1.26 -2.75 113.62 113.79 3dy5 n SER 626 Ca 0.07 0.96 -0.05 0.00 -1.33 0.00 0.00 58.87 58.53 3dy5 n SER 626 Cb 0.55 -0.42 -0.07 0.00 -0.75 0.00 0.00 64.21 63.52 3dy5 n SER 626 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3dy5 n ASN 627 N -3.12 2.73 -2.73 -3.46 2.04 -1.26 -4.18 115.26 105.27 3dy5 n ASN 627 Ca 0.00 -1.95 -0.07 0.00 -0.44 0.00 0.00 54.58 52.12 3dy5 n ASN 627 Cb 0.02 -0.70 0.05 0.00 -2.53 0.00 0.00 39.78 36.63 3dy5 n ASN 627 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 3dy5 n PHE 628 N 2.52 -2.82 -2.85 -2.53 7.35 -1.11 -4.68 117.46 113.33 3dy5 n PHE 628 Ca 0.17 -1.54 -0.43 0.00 -0.76 0.00 0.00 57.45 54.89 3dy5 n PHE 628 Cb 0.43 1.48 -0.03 0.00 0.35 0.00 0.00 39.48 41.70 3dy5 n PHE 628 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3dy5 s PRO 629 N 0.59 3.40 -0.34 -7.13 0.04 -1.26 -4.74 135.00 125.56 3dy5 s PRO 629 Ca 0.31 -1.30 -0.10 0.00 0.04 0.00 0.00 61.00 59.94 3dy5 s PRO 629 Cb 0.22 -4.69 0.01 0.00 0.04 0.00 0.00 34.50 30.09 3dy5 s PRO 629 CO -0.22 -1.85 0.18 0.08 0.04 0.00 0.00 177.00 175.23 3dy5 s VAL 630 N 3.53 4.53 0.55 -0.36 1.01 -1.26 -5.02 120.40 123.37 3dy5 s VAL 630 Ca 0.30 -0.69 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 3dy5 s VAL 630 Cb -0.09 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 3dy5 s VAL 630 CO -0.02 -0.10 1.32 0.42 0.00 0.00 0.00 175.10 176.73 3dy5 s THR 631 N 1.57 2.22 -1.98 3.92 -4.23 -1.26 -4.82 115.64 111.06 3dy5 s THR 631 Ca 0.03 0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.72 3dy5 s THR 631 Cb -0.18 -3.08 0.05 0.00 1.34 0.00 0.00 72.50 70.63 3dy5 s THR 631 CO 0.06 -0.01 0.61 0.59 -0.54 0.00 0.00 174.62 175.33 3dy5 n ASN 632 N -1.09 0.00 0.00 3.99 3.02 -1.26 -1.77 115.26 118.14 3dy5 n ASN 632 Ca 0.11 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 3dy5 n ASN 632 Cb 0.46 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 3dy5 n ASN 632 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3dy5 n GLU 633 N -1.01 2.63 -0.33 3.52 0.28 -1.26 -4.08 120.64 120.38 3dy5 n GLU 633 Ca 0.01 0.00 0.15 0.00 -0.16 0.00 0.00 57.16 57.17 3dy5 n GLU 633 Cb 0.01 -0.28 0.35 0.00 1.43 0.00 0.00 31.44 32.95 3dy5 n GLU 633 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3dy5 h HIS 634 N 0.00 0.90 -0.43 -1.84 3.86 -1.70 -2.35 115.15 113.59 3dy5 h HIS 634 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3dy5 h HIS 634 Cb 0.00 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.22 3dy5 h HIS 634 CO 0.00 0.06 0.00 1.33 0.86 0.00 0.00 177.93 180.18 3dy5 n VAL 635 N -4.92 0.93 0.29 2.45 0.24 -1.26 -4.58 118.33 111.49 3dy5 n VAL 635 Ca 0.25 -0.96 0.16 0.00 -2.04 0.00 0.00 64.34 61.75 3dy5 n VAL 635 Cb 0.68 0.56 0.89 0.00 -1.47 0.00 0.00 33.84 34.50 3dy5 n VAL 635 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 3dy5 h ASN 636 N 2.71 0.00 -0.18 -1.34 -1.24 -1.62 -0.84 115.58 113.07 3dy5 h ASN 636 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.80 3dy5 h ASN 636 Cb 0.79 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.85 3dy5 h ASN 636 CO 0.00 0.05 -0.71 0.00 -1.29 0.00 0.00 177.43 175.48 3dy5 h ALA 637 N 1.95 0.36 -0.10 1.57 0.00 -1.81 -3.32 119.26 117.91 3dy5 h ALA 637 Ca -0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 3dy5 h ALA 637 Cb 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3dy5 h ALA 637 CO 0.01 0.69 -0.07 1.03 0.00 0.00 0.00 179.25 180.90 3dy5 h SER 638 N 0.58 0.23 -2.43 0.00 0.87 -1.53 -3.44 113.55 107.83 3dy5 h SER 638 Ca -0.03 -0.44 -0.53 0.00 -1.23 0.00 0.00 61.79 59.55 3dy5 h SER 638 Cb 1.33 -0.06 0.02 0.00 -0.44 0.00 0.00 62.40 63.25 3dy5 h SER 638 CO 0.15 0.63 1.19 -0.76 -0.53 0.00 0.00 176.83 177.51 3dy5 s LEU 639 N -9.24 4.42 0.00 2.23 1.43 -0.60 -4.90 118.68 112.02 3dy5 s LEU 639 Ca -0.15 2.64 0.01 0.00 -1.03 0.00 0.00 54.13 55.61 3dy5 s LEU 639 Cb 0.04 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.73 3dy5 s LEU 639 CO 0.72 -1.03 0.39 -0.90 0.23 0.00 0.00 176.35 175.76 3dy5 n ASP 640 N 7.09 0.78 0.05 2.29 5.75 -1.26 -4.74 116.55 126.50 3dy5 n ASP 640 Ca 0.19 -0.89 -0.12 0.00 -0.01 0.00 0.00 54.79 53.96 3dy5 n ASP 640 Cb 0.41 0.32 -0.09 0.00 -1.03 0.00 0.00 41.12 40.73 3dy5 n ASP 640 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3dy5 h ARG 641 N 0.19 -0.18 0.00 0.11 3.08 -1.95 -3.48 114.38 112.14 3dy5 h ARG 641 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3dy5 h ARG 641 Cb 0.05 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3dy5 h ARG 641 CO 0.00 0.25 0.00 0.41 -1.07 0.00 0.00 179.97 179.56 3dy5 n GLY 642 N 0.27 1.73 3.90 0.04 0.00 -1.26 -5.13 105.19 104.74 3dy5 n GLY 642 Ca -0.08 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 3dy5 n GLY 642 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dy5 s LYS 643 N 0.00 3.35 0.90 1.61 1.02 -1.26 -5.08 119.74 120.28 3dy5 s LYS 643 Ca 0.00 0.26 -0.12 0.00 0.02 0.00 0.00 55.97 56.14 3dy5 s LYS 643 Cb 0.00 -2.27 0.13 0.00 -0.52 0.00 0.00 37.83 35.17 3dy5 s LYS 643 CO 0.00 -0.46 1.09 1.21 -0.92 0.00 0.00 175.35 176.28 3dy5 s ASN 644 N -4.19 3.39 0.17 2.83 3.04 -1.26 -4.90 114.94 114.03 3dy5 s ASN 644 Ca 0.51 1.48 -0.18 0.00 0.04 0.00 0.00 52.86 54.72 3dy5 s ASN 644 Cb -0.11 -2.16 0.10 0.00 -1.54 0.00 0.00 41.25 37.55 3dy5 s ASN 644 CO 0.47 -2.69 1.65 0.25 -3.04 0.00 0.00 177.10 173.74 3dy5 h LEU 645 N -1.58 -0.50 -0.79 3.21 6.46 -1.96 -2.44 115.31 117.71 3dy5 h LEU 645 Ca -0.50 0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.41 3dy5 h LEU 645 Cb 1.29 0.30 -0.04 0.00 -0.73 0.00 0.00 40.66 41.48 3dy5 h LEU 645 CO 0.54 -0.18 0.52 0.44 -0.62 0.00 0.00 178.44 179.15 3dy5 h ASP 646 N -0.05 0.90 0.00 1.25 3.45 -1.93 -0.87 116.42 119.16 3dy5 h ASP 646 Ca 0.20 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.64 3dy5 h ASP 646 Cb 0.36 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 3dy5 h ASP 646 CO -0.45 0.64 0.00 -0.62 -1.57 0.00 0.00 179.24 177.24 3dy5 n GLU 647 N -4.54 0.89 0.00 3.56 1.02 -0.95 -3.25 120.64 117.37 3dy5 n GLU 647 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3dy5 n GLU 647 Cb 0.03 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 3dy5 n GLU 647 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3dy5 n GLU 648 N 0.51 0.00 -0.49 3.49 -0.58 -0.40 -4.50 120.64 118.67 3dy5 n GLU 648 Ca 0.00 0.00 0.40 0.00 -0.42 0.00 0.00 57.16 57.14 3dy5 n GLU 648 Cb 0.43 -0.25 0.70 0.00 -0.57 0.00 0.00 31.44 31.75 3dy5 n GLU 648 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3dy5 h ILE 649 N 0.00 0.15 0.57 -3.67 1.08 -1.37 0.64 117.51 114.90 3dy5 h ILE 649 Ca 0.00 -0.02 -0.03 0.00 -0.39 0.00 0.00 64.86 64.42 3dy5 h ILE 649 Cb 0.43 0.08 0.01 0.00 -3.07 0.00 0.00 36.82 34.26 3dy5 h ILE 649 CO 0.00 0.01 -0.27 0.11 -0.69 0.00 0.00 178.15 177.31 3dy5 h LYS 650 N 0.07 -0.74 0.00 2.37 1.57 -1.83 -3.28 116.57 114.73 3dy5 h LYS 650 Ca 0.81 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.64 3dy5 h LYS 650 Cb 2.80 0.17 0.00 0.00 0.08 0.00 0.00 32.23 35.28 3dy5 h LYS 650 CO -0.25 -0.45 0.00 -0.25 -0.57 0.00 0.00 179.45 177.93 3dy5 n ASP 651 N -5.30 0.01 0.00 0.86 8.00 0.19 -4.84 116.55 115.47 3dy5 n ASP 651 Ca -0.11 0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.90 3dy5 n ASP 651 Cb 0.33 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 3dy5 n ASP 651 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dy5 n GLY 652 N -0.44 2.78 0.36 0.44 0.00 0.73 -4.95 105.19 104.10 3dy5 n GLY 652 Ca 0.02 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.23 3dy5 n GLY 652 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3dy5 h HIS 653 N 0.00 0.00 -3.51 1.61 3.86 -1.79 -3.40 115.15 111.92 3dy5 h HIS 653 Ca 0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 3dy5 h HIS 653 Cb 0.00 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.35 3dy5 h HIS 653 CO 0.00 0.00 -0.25 0.42 0.86 0.00 0.00 177.93 178.96 3dy5 s ILE 654 N -4.45 5.22 0.07 2.45 1.01 -1.26 -1.16 121.20 123.08 3dy5 s ILE 654 Ca -0.04 0.61 0.09 0.00 0.00 0.00 0.00 60.65 61.30 3dy5 s ILE 654 Cb 0.13 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 3dy5 s ILE 654 CO 0.46 0.26 -0.22 -0.31 0.00 0.00 0.00 174.94 175.14 3dy5 s TYR 655 N 1.31 2.46 -0.03 3.97 1.51 0.15 -1.77 117.35 124.95 3dy5 s TYR 655 Ca 0.17 -0.32 0.03 0.00 -1.01 0.00 0.00 57.07 55.94 3dy5 s TYR 655 Cb -0.15 -1.39 -0.00 0.00 -0.11 0.00 0.00 41.96 40.31 3dy5 s TYR 655 CO 0.07 0.25 -0.12 -1.50 -1.11 0.00 0.00 175.55 173.15 3dy5 s ILE 656 N -0.95 0.97 -0.11 2.71 2.07 0.15 -0.31 121.20 125.74 3dy5 s ILE 656 Ca 0.14 -0.47 -0.01 0.00 -1.41 0.00 0.00 60.65 58.89 3dy5 s ILE 656 Cb -0.10 -0.85 -0.03 0.00 0.13 0.00 0.00 42.46 41.61 3dy5 s ILE 656 CO 0.05 0.29 -0.04 0.54 -1.91 0.00 0.00 174.94 173.87 3dy5 s VAL 657 N 0.08 3.90 -0.06 4.00 0.11 -0.87 -1.78 120.40 125.78 3dy5 s VAL 657 Ca -0.02 -0.39 0.03 0.00 -2.93 0.00 0.00 61.98 58.68 3dy5 s VAL 657 Cb -0.09 -2.65 0.01 0.00 -1.53 0.00 0.00 36.38 32.12 3dy5 s VAL 657 CO 0.01 0.56 -0.15 -0.62 -3.33 0.00 0.00 175.10 171.57 3dy5 s ASP 658 N -0.36 2.03 -0.30 3.54 -1.08 -1.25 -1.59 116.67 117.66 3dy5 s ASP 658 Ca 0.06 -0.34 0.10 0.00 -0.52 0.00 0.00 52.55 51.85 3dy5 s ASP 658 Cb -0.12 -0.83 0.64 0.00 -1.46 0.00 0.00 42.92 41.15 3dy5 s ASP 658 CO 0.02 0.08 1.67 0.49 0.52 0.00 0.00 175.17 177.96 3dy5 n PHE 659 N 3.58 1.94 -0.26 -5.34 3.01 -0.69 -4.74 117.46 114.96 3dy5 n PHE 659 Ca -0.21 -1.30 0.19 0.00 1.01 0.00 0.00 57.45 57.13 3dy5 n PHE 659 Cb 0.52 -0.60 0.35 0.00 -0.01 0.00 0.00 39.48 39.74 3dy5 n PHE 659 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3dy5 n LYS 660 N -0.56 -0.05 0.00 -1.08 5.02 -1.26 -0.39 118.16 119.83 3dy5 n LYS 660 Ca 0.38 1.11 0.05 0.00 -2.02 0.00 0.00 58.31 57.83 3dy5 n LYS 660 Cb 1.25 -1.88 0.23 0.00 -0.02 0.00 0.00 35.03 34.61 3dy5 n LYS 660 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3dy5 n VAL 661 N -4.91 1.21 0.07 -0.18 0.24 -1.26 -1.39 118.33 112.12 3dy5 n VAL 661 Ca 0.24 0.30 0.08 0.00 -2.04 0.00 0.00 64.34 62.93 3dy5 n VAL 661 Cb 0.81 -1.12 0.26 0.00 -1.47 0.00 0.00 33.84 32.32 3dy5 n VAL 661 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3dy5 n LEU 662 N -1.47 3.33 -4.79 1.34 0.00 0.47 -4.86 117.00 111.01 3dy5 n LEU 662 Ca 0.03 -1.67 -0.38 0.00 0.00 0.00 0.00 56.01 53.99 3dy5 n LEU 662 Cb 0.12 -0.43 -0.06 0.00 0.00 0.00 0.00 43.42 43.05 3dy5 n LEU 662 CO 0.09 0.72 0.44 -0.69 0.00 0.00 0.00 177.39 177.96 3dy5 s VAL 663 N -1.43 4.47 0.00 1.96 1.01 -0.48 -3.56 120.40 122.36 3dy5 s VAL 663 Ca 0.39 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.89 3dy5 s VAL 663 Cb 0.22 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3dy5 s VAL 663 CO 0.24 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.37 3dy5 n GLY 664 N 1.32 0.74 3.70 4.51 0.00 -1.21 -5.03 105.19 109.23 3dy5 n GLY 664 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3dy5 n GLY 664 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dy5 s ALA 665 N -2.59 3.49 -0.27 4.61 0.00 -1.23 -4.68 121.76 121.09 3dy5 s ALA 665 Ca 0.00 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 3dy5 s ALA 665 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 3dy5 s ALA 665 CO 0.00 -0.64 0.18 0.21 0.00 0.00 0.00 175.76 175.51 3dy5 s LYS 666 N 1.60 3.96 0.00 0.00 2.20 -1.26 -2.37 119.74 123.87 3dy5 s LYS 666 Ca 0.61 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 3dy5 s LYS 666 Cb -0.30 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 3dy5 s LYS 666 CO 0.27 -0.13 0.00 0.43 -0.36 0.00 0.00 175.35 175.57 3dy5 n SER 667 N 4.89 0.00 -4.21 1.43 7.64 -1.22 -4.07 113.62 118.07 3dy5 n SER 667 Ca -0.14 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.38 3dy5 n SER 667 Cb 0.52 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.59 3dy5 n SER 667 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3dy5 s TYR 668 N 1.27 3.24 0.00 1.43 5.04 -1.17 -4.51 117.35 122.65 3dy5 s TYR 668 Ca 0.00 -1.67 0.00 0.00 -2.44 0.00 0.00 57.07 52.96 3dy5 s TYR 668 Cb 0.00 -2.16 0.00 0.00 0.35 0.00 0.00 41.96 40.15 3dy5 s TYR 668 CO 0.00 -0.76 0.00 0.41 -1.34 0.00 0.00 175.55 173.86 3dy5 n GLY 669 N 4.70 0.96 0.00 8.97 0.00 -1.26 -1.86 105.19 116.70 3dy5 n GLY 669 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3dy5 n GLY 669 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dy5 n GLY 670 N 0.00 1.66 3.56 -0.02 0.00 -1.26 -4.97 105.19 104.16 3dy5 n GLY 670 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3dy5 n GLY 670 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dy5 s PRO 671 N -0.11 3.28 0.81 1.61 0.02 -1.26 -4.98 135.00 134.37 3dy5 s PRO 671 Ca 0.00 -0.00 -0.11 0.00 0.02 0.00 0.00 61.00 60.90 3dy5 s PRO 671 Cb 0.00 -4.13 0.08 0.00 0.02 0.00 0.00 34.50 30.47 3dy5 s PRO 671 CO 0.00 -2.00 1.09 0.14 -0.33 0.00 0.00 177.00 175.90 3dy5 s VAL 672 N 5.62 3.05 0.11 3.83 -7.23 -1.26 -3.42 120.40 121.10 3dy5 s VAL 672 Ca 0.40 0.34 0.08 0.00 -1.81 0.00 0.00 61.98 60.99 3dy5 s VAL 672 Cb -0.08 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.82 3dy5 s VAL 672 CO 0.19 -0.45 -0.16 -0.22 -0.31 0.00 0.00 175.10 174.15 3dy5 s LEU 673 N -5.89 2.76 0.21 1.32 2.96 -1.00 -4.99 118.68 114.05 3dy5 s LEU 673 Ca 0.61 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 3dy5 s LEU 673 Cb -0.15 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 3dy5 s LEU 673 CO 0.55 0.18 -0.02 -1.61 -1.32 0.00 0.00 176.35 174.14 3dy5 s GLU 674 N -2.10 1.25 0.19 1.98 8.01 -1.26 -3.33 118.70 123.44 3dy5 s GLU 674 Ca 0.18 -1.61 -0.25 0.00 0.01 0.00 0.00 54.97 53.31 3dy5 s GLU 674 Cb -0.11 -0.55 0.07 0.00 -4.31 0.00 0.00 34.13 29.23 3dy5 s GLU 674 CO 0.10 -0.07 1.55 -0.44 0.01 0.00 0.00 175.26 176.41 3dy5 h ASP 675 N 2.56 -1.75 0.00 -0.19 5.19 -1.98 -1.60 116.42 118.65 3dy5 h ASP 675 Ca -0.38 0.31 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 3dy5 h ASP 675 Cb 1.21 0.83 0.00 0.00 0.18 0.00 0.00 39.33 41.55 3dy5 h ASP 675 CO 0.64 -0.28 0.00 -0.38 -3.12 0.00 0.00 179.24 176.10 3dy5 n ILE 676 N -5.37 0.86 -3.22 0.35 5.41 -1.26 -2.58 119.36 113.54 3dy5 n ILE 676 Ca 0.05 -0.16 0.04 0.00 1.00 0.00 0.00 62.75 63.68 3dy5 n ILE 676 Cb 0.33 -1.08 -0.01 0.00 -0.71 0.00 0.00 39.64 38.18 3dy5 n ILE 676 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dy5 n GLY 677 N 1.36 -1.63 2.55 7.39 0.00 -0.60 -4.99 105.19 109.26 3dy5 n GLY 677 Ca 0.00 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 3dy5 n GLY 677 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dy5 s GLU 688 N -0.65 0.28 0.00 1.61 0.41 -1.26 -4.72 118.70 114.37 3dy5 s GLU 688 Ca 0.00 -0.65 0.00 0.00 -0.41 0.00 0.00 54.97 53.91 3dy5 s GLU 688 Cb 0.00 -1.26 0.00 0.00 -1.78 0.00 0.00 34.13 31.09 3dy5 s GLU 688 CO 0.00 -1.03 0.00 0.00 -0.49 0.00 0.00 175.26 173.74 3dy5 n ALA 689 N 5.11 0.41 -3.32 5.21 0.00 -1.26 -5.11 120.51 121.56 3dy5 n ALA 689 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 3dy5 n ALA 689 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 3dy5 n ALA 689 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dy5 s ASP 690 N -1.28 0.08 -0.10 0.00 3.68 -1.26 -5.15 116.67 112.64 3dy5 s ASP 690 Ca 0.00 0.20 -0.10 0.00 2.13 0.00 0.00 52.55 54.79 3dy5 s ASP 690 Cb 0.00 1.23 0.03 0.00 -1.45 0.00 0.00 42.92 42.73 3dy5 s ASP 690 CO 0.00 -0.30 0.27 -0.51 0.13 0.00 0.00 175.17 174.76 3dy5 s ILE 691 N 2.58 0.00 -0.04 4.11 2.07 -1.26 -4.74 121.20 123.92 3dy5 s ILE 691 Ca 0.13 -0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.41 3dy5 s ILE 691 Cb -0.15 -0.39 -0.01 0.00 0.13 0.00 0.00 42.46 42.04 3dy5 s ILE 691 CO -0.19 -0.01 -0.19 -0.13 -1.91 0.00 0.00 174.94 172.52 3dy5 s ARG 692 N 0.11 1.84 0.37 3.50 0.52 -0.78 -4.66 118.95 119.86 3dy5 s ARG 692 Ca -0.00 -0.67 0.09 0.00 -0.52 0.00 0.00 55.73 54.62 3dy5 s ARG 692 Cb -0.02 -1.63 -0.07 0.00 0.52 0.00 0.00 34.95 33.75 3dy5 s ARG 692 CO 0.00 0.30 -0.04 0.71 0.02 0.00 0.00 175.30 176.30 3dy5 s TYR 693 N -0.11 2.46 0.00 -0.53 1.51 -0.72 -4.27 117.35 115.69 3dy5 s TYR 693 Ca -0.01 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 3dy5 s TYR 693 Cb -0.11 -1.54 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 3dy5 s TYR 693 CO 0.02 0.52 0.00 0.00 -1.11 0.00 0.00 175.55 174.98 3dy5 s ALA 695 N -1.22 -1.54 -0.58 0.00 0.00 -1.26 -4.96 121.76 112.20 3dy5 s ALA 695 Ca 0.00 0.55 0.06 0.00 0.00 0.00 0.00 51.96 52.57 3dy5 s ALA 695 Cb 0.00 0.72 0.32 0.00 0.00 0.00 0.00 23.12 24.16 3dy5 s ALA 695 CO 0.00 -0.69 0.89 0.00 0.00 0.00 0.00 175.76 175.96 3dy5 n ALA 696 N -0.14 4.41 -1.34 0.00 0.00 -1.24 -4.75 120.51 117.44 3dy5 n ALA 696 Ca -0.17 -4.65 -0.29 0.00 0.00 0.00 0.00 53.44 48.33 3dy5 n ALA 696 Cb 0.63 -0.78 0.18 0.00 0.00 0.00 0.00 19.45 19.49 3dy5 n ALA 696 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dy5 s PRO 697 N -3.19 0.28 0.09 0.00 0.04 -0.82 -4.20 135.00 127.19 3dy5 s PRO 697 Ca 0.46 0.20 0.06 0.00 0.04 0.00 0.00 61.00 61.77 3dy5 s PRO 697 Cb 0.25 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 33.01 3dy5 s PRO 697 CO -0.11 -2.77 -0.15 -0.51 0.04 0.00 0.00 177.00 173.51 3dy5 s LEU 698 N -6.38 2.32 0.05 -3.56 1.02 -0.22 -1.71 118.68 110.20 3dy5 s LEU 698 Ca 0.67 -0.69 -0.17 0.00 0.02 0.00 0.00 54.13 53.96 3dy5 s LEU 698 Cb -0.14 -0.57 0.03 0.00 0.02 0.00 0.00 46.19 45.53 3dy5 s LEU 698 CO 0.55 -0.08 0.38 0.00 0.02 0.00 0.00 176.35 177.22 3dy5 s ALA 699 N -1.55 -0.91 0.03 4.21 0.00 -0.62 -0.88 121.76 122.04 3dy5 s ALA 699 Ca 0.03 0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.27 3dy5 s ALA 699 Cb -0.08 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 3dy5 s ALA 699 CO 0.03 -0.45 -0.19 -0.51 0.00 0.00 0.00 175.76 174.64 3dy5 s LEU 700 N -2.05 2.54 -0.03 0.00 1.02 0.18 -2.05 118.68 118.29 3dy5 s LEU 700 Ca -0.05 -0.43 0.04 0.00 0.02 0.00 0.00 54.13 53.72 3dy5 s LEU 700 Cb -0.01 -1.48 -0.01 0.00 0.02 0.00 0.00 46.19 44.71 3dy5 s LEU 700 CO -0.03 0.27 -0.15 -0.36 0.02 0.00 0.00 176.35 176.10 3dy5 s PHE 701 N -0.88 1.48 -0.15 0.29 0.40 0.58 -1.32 117.98 118.38 3dy5 s PHE 701 Ca 0.14 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.12 3dy5 s PHE 701 Cb -0.10 -0.99 0.01 0.00 0.51 0.00 0.00 43.02 42.45 3dy5 s PHE 701 CO 0.04 -0.11 -0.21 -0.47 0.70 0.00 0.00 175.22 175.18 3dy5 s TYR 702 N -0.07 2.71 -0.47 0.36 5.04 -0.54 -0.68 117.35 123.70 3dy5 s TYR 702 Ca -0.00 -1.39 -0.27 0.00 -2.44 0.00 0.00 57.07 52.96 3dy5 s TYR 702 Cb -0.09 -1.85 -0.03 0.00 0.35 0.00 0.00 41.96 40.34 3dy5 s TYR 702 CO 0.01 -0.65 1.93 0.08 -1.34 0.00 0.00 175.55 175.58 3dy5 s VAL 703 N 0.95 3.34 0.97 3.14 1.01 -0.31 -3.17 120.40 126.32 3dy5 s VAL 703 Ca -0.04 0.28 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 3dy5 s VAL 703 Cb -0.15 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 3dy5 s VAL 703 CO -0.05 -0.55 0.05 -3.20 0.00 0.00 0.00 175.10 171.36 3dy5 n ASN 704 N 12.21 -3.22 0.00 3.32 2.85 -0.97 -4.84 115.26 124.61 3dy5 n ASN 704 Ca 0.24 0.28 0.05 0.00 -0.11 0.00 0.00 54.58 55.04 3dy5 n ASN 704 Cb 0.50 -1.07 0.32 0.00 1.24 0.00 0.00 39.78 40.76 3dy5 n ASN 704 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3dy5 n LYS 705 N -0.50 0.75 -0.00 1.20 5.02 -1.26 -2.60 118.16 120.76 3dy5 n LYS 705 Ca 0.04 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.39 3dy5 n LYS 705 Cb 0.54 -1.22 -0.08 0.00 -0.02 0.00 0.00 35.03 34.25 3dy5 n LYS 705 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3dy5 n LEU 706 N -0.72 0.15 -0.00 -0.35 0.00 -1.26 -5.01 117.00 109.81 3dy5 n LEU 706 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 56.01 55.94 3dy5 n LEU 706 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.46 3dy5 n LEU 706 CO 0.06 0.04 0.00 0.61 0.00 0.00 0.00 177.39 178.10 3dy5 n GLY 707 N 1.69 1.41 3.19 -3.96 0.00 -1.07 -5.10 105.19 101.34 3dy5 n GLY 707 Ca -0.01 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3dy5 n GLY 707 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dy5 s HIS 708 N -2.00 2.76 -0.74 1.61 3.76 -1.26 -4.74 115.29 114.67 3dy5 s HIS 708 Ca 0.00 -1.33 -0.26 0.00 -0.15 0.00 0.00 55.06 53.32 3dy5 s HIS 708 Cb 0.00 -1.89 -0.01 0.00 1.11 0.00 0.00 32.58 31.79 3dy5 s HIS 708 CO 0.00 -0.64 1.68 -1.17 -0.85 0.00 0.00 174.74 173.76 3dy5 s LEU 709 N 1.03 3.25 -0.16 0.89 2.96 -1.26 -2.30 118.68 123.09 3dy5 s LEU 709 Ca -0.01 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 3dy5 s LEU 709 Cb -0.15 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 3dy5 s LEU 709 CO -0.05 -2.21 0.07 -0.04 -1.32 0.00 0.00 176.35 172.79 3dy5 s MET 710 N 6.48 3.82 0.15 1.98 -1.94 -1.19 -3.78 119.30 124.82 3dy5 s MET 710 Ca 0.57 -0.32 -0.31 0.00 -1.71 0.00 0.00 55.69 53.92 3dy5 s MET 710 Cb -0.09 -3.18 -0.09 0.00 2.01 0.00 0.00 34.83 33.48 3dy5 s MET 710 CO 0.12 0.39 1.44 -1.25 -0.01 0.00 0.00 175.02 175.70 3dy5 s PRO 711 N 0.06 4.29 -0.05 2.03 0.04 -1.26 -1.47 135.00 138.64 3dy5 s PRO 711 Ca 0.06 2.17 0.04 0.00 0.04 0.00 0.00 61.00 63.31 3dy5 s PRO 711 Cb -0.12 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.16 3dy5 s PRO 711 CO 0.01 -0.46 0.01 0.44 0.04 0.00 0.00 177.00 177.03 3dy5 n ILE 712 N 3.67 0.34 -3.68 0.56 -5.35 -0.43 -4.74 119.36 109.74 3dy5 n ILE 712 Ca 0.11 -0.20 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 3dy5 n ILE 712 Cb 0.41 -0.85 -0.09 0.00 -1.74 0.00 0.00 39.64 37.37 3dy5 n ILE 712 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dy5 s ALA 713 N -2.12 -1.43 -0.03 -1.28 0.00 -1.22 -4.07 121.76 111.60 3dy5 s ALA 713 Ca -0.03 1.76 0.03 0.00 0.00 0.00 0.00 51.96 53.71 3dy5 s ALA 713 Cb 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.11 3dy5 s ALA 713 CO 0.20 -0.29 -0.10 0.42 0.00 0.00 0.00 175.76 175.98 3dy5 s ILE 714 N 0.81 0.92 -0.10 0.00 1.01 -0.14 -0.65 121.20 123.05 3dy5 s ILE 714 Ca -0.04 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.23 3dy5 s ILE 714 Cb -0.05 -0.82 -0.00 0.00 0.01 0.00 0.00 42.46 41.60 3dy5 s ILE 714 CO -0.06 0.29 -0.23 -1.58 0.00 0.00 0.00 174.94 173.36 3dy5 s GLN 715 N 0.27 3.06 0.30 2.79 0.74 -0.06 0.08 119.66 126.84 3dy5 s GLN 715 Ca -0.05 -0.86 0.09 0.00 0.05 0.00 0.00 55.36 54.59 3dy5 s GLN 715 Cb -0.10 -2.33 0.45 0.00 1.10 0.00 0.00 33.01 32.12 3dy5 s GLN 715 CO 0.01 0.20 1.68 0.82 -0.55 0.00 0.00 175.29 177.44 3dy5 h ILE 716 N 5.63 1.36 -4.27 -2.34 2.04 -1.83 -0.58 117.51 117.52 3dy5 h ILE 716 Ca -0.21 -1.75 -0.19 0.00 1.00 0.00 0.00 64.86 63.71 3dy5 h ILE 716 Cb 1.23 1.90 -0.13 0.00 -0.74 0.00 0.00 36.82 39.09 3dy5 h ILE 716 CO 0.48 0.51 -0.43 0.20 0.00 0.00 0.00 178.15 178.91 3dy5 s ASN 717 N -6.88 0.18 0.00 1.72 0.01 -1.26 -1.95 114.94 106.75 3dy5 s ASN 717 Ca -0.03 -1.26 0.00 0.00 -0.71 0.00 0.00 52.86 50.86 3dy5 s ASN 717 Cb 0.13 0.47 0.00 0.00 0.41 0.00 0.00 41.25 42.26 3dy5 s ASN 717 CO 0.76 -0.97 0.75 0.00 -1.51 0.00 0.00 177.10 176.12 3dy5 n GLN 718 N -0.34 0.00 -2.64 -0.60 1.13 -1.07 -4.60 117.38 109.27 3dy5 n GLN 718 Ca 0.01 0.32 -0.43 0.00 -1.94 0.00 0.00 57.00 54.96 3dy5 n GLN 718 Cb 0.64 -1.25 -0.02 0.00 0.11 0.00 0.00 30.24 29.72 3dy5 n GLN 718 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3dy5 s GLU 719 N -1.99 4.35 0.96 -1.09 2.02 -1.09 -4.76 118.70 117.11 3dy5 s GLU 719 Ca 0.00 1.43 -0.15 0.00 0.02 0.00 0.00 54.97 56.27 3dy5 s GLU 719 Cb 0.00 -3.59 0.22 0.00 0.10 0.00 0.00 34.13 30.86 3dy5 s GLU 719 CO 0.00 -0.46 1.31 -2.30 0.02 0.00 0.00 175.26 173.83 3dy5 n PRO 720 N 5.55 -1.16 -3.93 0.39 -0.02 -1.26 -4.79 135.00 129.78 3dy5 n PRO 720 Ca 0.10 -2.19 0.00 0.00 -2.02 0.00 0.00 63.50 59.40 3dy5 n PRO 720 Cb 0.47 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 3dy5 n PRO 720 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dy5 n GLY 721 N -3.71 -1.61 0.24 -1.23 0.00 -1.25 -4.89 105.19 92.74 3dy5 n GLY 721 Ca 0.17 -1.22 0.07 0.00 0.00 0.00 0.00 46.02 45.04 3dy5 n GLY 721 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dy5 n PRO 722 N -0.15 1.31 -0.01 1.61 -0.05 -1.26 -3.47 135.00 132.98 3dy5 n PRO 722 Ca 0.00 -0.47 0.02 0.00 -0.05 0.00 0.00 63.50 63.00 3dy5 n PRO 722 Cb 0.00 -1.24 -0.07 0.00 -0.05 0.00 0.00 33.50 32.14 3dy5 n PRO 722 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 3dy5 n GLU 723 N -0.24 0.95 -3.53 0.54 1.02 -1.26 -4.69 120.64 113.43 3dy5 n GLU 723 Ca 0.11 -0.06 -0.27 0.00 -0.02 0.00 0.00 57.16 56.92 3dy5 n GLU 723 Cb 0.15 -1.22 -0.10 0.00 -0.02 0.00 0.00 31.44 30.26 3dy5 n GLU 723 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3dy5 n ASN 724 N -1.96 1.76 -2.04 1.62 5.15 -1.24 -4.44 115.26 114.11 3dy5 n ASN 724 Ca -0.05 -2.95 0.00 0.00 -0.60 0.00 0.00 54.58 50.98 3dy5 n ASN 724 Cb 0.39 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 3dy5 n ASN 724 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3dy5 n PRO 725 N 1.84 0.15 -3.78 1.20 -0.04 -1.23 -3.74 135.00 129.41 3dy5 n PRO 725 Ca 0.25 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.35 3dy5 n PRO 725 Cb 0.43 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.82 3dy5 n PRO 725 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3dy5 s ILE 726 N -0.77 5.43 -0.14 0.52 1.01 -1.26 -4.33 121.20 121.66 3dy5 s ILE 726 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.81 3dy5 s ILE 726 Cb 0.00 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 3dy5 s ILE 726 CO 0.00 0.50 -0.03 0.26 0.00 0.00 0.00 174.94 175.66 3dy5 s TRP 727 N -0.09 3.04 0.23 3.97 0.52 0.11 -4.95 118.94 121.77 3dy5 s TRP 727 Ca 0.10 -0.19 0.09 0.00 0.02 0.00 0.00 56.10 56.12 3dy5 s TRP 727 Cb -0.11 -1.91 -0.04 0.00 -1.15 0.00 0.00 33.47 30.25 3dy5 s TRP 727 CO -0.00 0.07 -0.03 0.95 0.02 0.00 0.00 176.95 177.95 3dy5 s THR 728 N 0.09 3.39 -1.46 2.01 -4.23 -1.26 -0.97 115.64 113.21 3dy5 s THR 728 Ca -0.00 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 3dy5 s THR 728 Cb -0.13 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 70.95 3dy5 s THR 728 CO 0.03 -0.26 0.23 -2.65 -0.54 0.00 0.00 174.62 171.42 3dy5 n PRO 729 N -0.52 0.32 -1.99 3.99 -0.02 -1.26 -2.57 135.00 132.95 3dy5 n PRO 729 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3dy5 n PRO 729 Cb 0.57 -1.09 0.03 0.00 -0.02 0.00 0.00 33.50 33.00 3dy5 n PRO 729 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3dy5 n HIS 730 N -0.05 0.18 -1.61 6.00 1.44 -1.26 -5.05 115.22 114.87 3dy5 n HIS 730 Ca 0.00 -1.17 -0.40 0.00 -2.01 0.00 0.00 57.72 54.14 3dy5 n HIS 730 Cb 0.04 0.10 0.03 0.00 0.12 0.00 0.00 29.99 30.29 3dy5 n HIS 730 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3dy5 n GLU 731 N -0.16 1.19 -0.16 -1.40 -0.58 -1.06 -4.87 120.64 113.60 3dy5 n GLU 731 Ca -0.01 0.44 -0.05 0.00 -0.42 0.00 0.00 57.16 57.12 3dy5 n GLU 731 Cb 0.94 -2.10 0.05 0.00 -0.57 0.00 0.00 31.44 29.76 3dy5 n GLU 731 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3dy5 h GLU 732 N 1.13 0.47 -5.78 3.49 5.08 -1.94 -3.33 114.58 113.69 3dy5 h GLU 732 Ca -0.46 -0.03 -0.61 0.00 -1.00 0.00 0.00 59.36 57.26 3dy5 h GLU 732 Cb 1.35 -0.11 -0.11 0.00 0.50 0.00 0.00 28.75 30.38 3dy5 h GLU 732 CO 0.54 0.31 0.38 1.21 -1.00 0.00 0.00 179.01 180.45 3dy5 s ASN 733 N -5.49 6.56 0.35 1.42 3.84 -1.26 -4.94 114.94 115.42 3dy5 s ASN 733 Ca -0.13 0.39 0.14 0.00 0.21 0.00 0.00 52.86 53.47 3dy5 s ASN 733 Cb 0.13 -2.40 0.65 0.00 -0.55 0.00 0.00 41.25 39.08 3dy5 s ASN 733 CO 0.73 -0.72 1.76 -0.33 -2.79 0.00 0.00 177.10 175.76 3dy5 h GLU 734 N 8.44 0.00 -0.19 0.43 5.08 -1.94 -2.60 114.58 123.79 3dy5 h GLU 734 Ca -0.25 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 3dy5 h GLU 734 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3dy5 h GLU 734 CO 0.91 0.43 0.17 0.45 -1.00 0.00 0.00 179.01 179.97 3dy5 h HIS 735 N 0.00 0.00 0.62 4.33 3.86 -1.92 -1.19 115.15 120.85 3dy5 h HIS 735 Ca -0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3dy5 h HIS 735 Cb 0.81 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.28 3dy5 h HIS 735 CO 0.00 0.00 -0.30 -0.44 0.86 0.00 0.00 177.93 178.05 3dy5 h ASP 736 N 0.00 -0.71 -0.10 2.45 3.32 -1.69 -2.10 116.42 117.60 3dy5 h ASP 736 Ca 0.09 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.18 3dy5 h ASP 736 Cb 0.43 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.11 3dy5 h ASP 736 CO -0.00 -0.47 -0.52 -0.25 -1.72 0.00 0.00 179.24 176.28 3dy5 h TRP 737 N -0.89 -1.54 -0.88 4.55 -0.00 -1.38 -1.60 115.95 114.22 3dy5 h TRP 737 Ca -0.09 0.06 0.23 0.00 -0.00 0.00 0.00 58.89 59.09 3dy5 h TRP 737 Cb 0.66 0.68 -0.13 0.00 -0.00 0.00 0.00 29.16 30.37 3dy5 h TRP 737 CO -0.02 -0.55 0.31 0.52 -0.00 0.00 0.00 178.44 178.70 3dy5 h MET 738 N -0.60 0.28 -0.29 2.65 0.00 -1.38 0.24 114.93 115.83 3dy5 h MET 738 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 59.70 59.71 3dy5 h MET 738 Cb 0.69 -0.06 -0.01 0.00 0.00 0.00 0.00 31.60 32.21 3dy5 h MET 738 CO -0.41 0.19 0.16 1.98 0.00 0.00 0.00 176.91 178.83 3dy5 h MET 739 N 0.29 0.40 -0.54 1.72 1.85 -0.69 -1.27 114.93 116.70 3dy5 h MET 739 Ca 0.55 -0.04 0.06 0.00 -0.61 0.00 0.00 59.70 59.66 3dy5 h MET 739 Cb 1.08 -0.08 -0.05 0.00 0.43 0.00 0.00 31.60 32.98 3dy5 h MET 739 CO -0.59 0.34 0.25 0.00 -0.40 0.00 0.00 176.91 176.50 3dy5 h ALA 740 N 1.04 0.69 -0.52 0.39 0.00 0.37 -0.00 119.26 121.23 3dy5 h ALA 740 Ca 0.10 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3dy5 h ALA 740 Cb 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 3dy5 h ALA 740 CO -0.02 -0.12 -0.01 0.87 0.00 0.00 0.00 179.25 179.97 3dy5 h LYS 741 N 0.47 0.11 -0.19 0.00 1.57 -1.06 -0.38 116.57 117.10 3dy5 h LYS 741 Ca 0.25 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.04 3dy5 h LYS 741 Cb 0.21 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3dy5 h LYS 741 CO -0.21 0.07 0.06 0.74 -0.57 0.00 0.00 179.45 179.54 3dy5 h PHE 742 N 0.11 0.11 0.43 -1.35 0.05 0.15 0.39 116.94 116.83 3dy5 h PHE 742 Ca 0.26 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 62.05 3dy5 h PHE 742 Cb 0.41 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.32 3dy5 h PHE 742 CO -0.33 0.05 -0.42 -1.49 -0.18 0.00 0.00 178.31 175.94 3dy5 h TRP 743 N 0.15 -1.16 -0.95 -0.55 4.06 -0.81 1.41 115.95 118.09 3dy5 h TRP 743 Ca 0.08 0.01 0.20 0.00 2.06 0.00 0.00 58.89 61.24 3dy5 h TRP 743 Cb 0.06 0.45 -0.18 0.00 -1.00 0.00 0.00 29.16 28.49 3dy5 h TRP 743 CO -0.12 -0.56 -0.21 1.25 -3.56 0.00 0.00 178.44 175.24 3dy5 h LEU 744 N -0.84 -0.83 0.73 -4.49 5.85 -0.80 0.36 115.31 115.28 3dy5 h LEU 744 Ca -0.05 0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 3dy5 h LEU 744 Cb 0.73 0.57 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3dy5 h LEU 744 CO -0.05 -0.31 -0.40 1.23 -0.34 0.00 0.00 178.44 178.57 3dy5 h GLY 745 N 0.00 -1.16 0.26 3.75 0.00 0.36 0.06 103.07 106.34 3dy5 h GLY 745 Ca 0.47 0.46 0.19 0.00 0.00 0.00 0.00 47.33 48.45 3dy5 h GLY 745 CO -0.96 -0.41 0.61 -0.24 0.00 0.00 0.00 176.54 175.53 3dy5 h VAL 746 N -1.05 0.71 0.05 4.60 3.04 0.42 0.60 116.25 124.62 3dy5 h VAL 746 Ca -0.10 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.39 3dy5 h VAL 746 Cb 0.82 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.18 3dy5 h VAL 746 CO 0.13 0.11 -0.03 0.00 -1.01 0.00 0.00 177.57 176.77 3dy5 h ALA 747 N 1.62 -0.07 -0.82 3.17 0.00 -0.33 -3.02 119.26 119.80 3dy5 h ALA 747 Ca 0.51 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.35 3dy5 h ALA 747 Cb 1.01 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 3dy5 h ALA 747 CO -0.25 -0.36 0.45 1.49 0.00 0.00 0.00 179.25 180.58 3dy5 h GLU 748 N -0.44 0.69 -0.48 0.00 4.81 0.15 -1.20 114.58 118.11 3dy5 h GLU 748 Ca -0.01 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3dy5 h GLU 748 Cb 0.39 -0.16 -0.09 0.00 0.63 0.00 0.00 28.75 29.52 3dy5 h GLU 748 CO 0.01 0.46 -0.49 1.03 -0.73 0.00 0.00 179.01 179.29 3dy5 h SER 749 N 0.71 -1.66 -0.41 1.04 0.87 0.13 -0.99 113.55 113.25 3dy5 h SER 749 Ca 0.42 0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 61.15 3dy5 h SER 749 Cb 0.47 0.71 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 3dy5 h SER 749 CO -0.29 -0.37 -0.02 0.78 -0.53 0.00 0.00 176.83 176.40 3dy5 h ASN 750 N -0.32 0.72 0.21 6.23 4.21 -1.26 -2.19 115.58 123.18 3dy5 h ASN 750 Ca 0.12 -0.32 -0.02 0.00 1.21 0.00 0.00 56.30 57.29 3dy5 h ASN 750 Cb 0.58 -0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 37.58 3dy5 h ASN 750 CO -0.63 0.87 -0.10 0.15 -1.29 0.00 0.00 177.43 176.42 3dy5 h PHE 751 N 0.56 0.00 0.02 1.19 3.57 -0.84 -2.38 116.94 119.06 3dy5 h PHE 751 Ca 0.11 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.31 3dy5 h PHE 751 Cb 0.51 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 3dy5 h PHE 751 CO 0.04 0.10 -1.76 1.58 -2.23 0.00 0.00 178.31 176.04 3dy5 n HIS 752 N -3.90 1.04 0.10 0.41 -0.00 -0.41 -2.72 115.22 109.73 3dy5 n HIS 752 Ca -0.02 0.34 -0.22 0.00 0.46 0.00 0.00 57.72 58.28 3dy5 n HIS 752 Cb 0.20 -1.18 -0.15 0.00 -0.12 0.00 0.00 29.99 28.73 3dy5 n HIS 752 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 3dy5 h GLN 753 N 0.01 0.42 0.20 1.57 5.75 -1.16 0.57 115.11 122.47 3dy5 h GLN 753 Ca -0.31 -0.72 -0.30 0.00 -0.15 0.00 0.00 58.65 57.17 3dy5 h GLN 753 Cb 2.02 0.27 0.02 0.00 1.07 0.00 0.00 27.48 30.86 3dy5 h GLN 753 CO 0.08 1.33 -1.41 -0.07 -2.65 0.00 0.00 178.83 176.10 3dy5 h LEU 754 N 0.11 0.65 0.00 -2.39 3.38 -1.55 -3.36 115.31 112.15 3dy5 h LEU 754 Ca -0.29 -0.92 -0.29 0.00 0.09 0.00 0.00 57.88 56.47 3dy5 h LEU 754 Cb 2.11 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 42.60 3dy5 h LEU 754 CO 0.21 1.66 -1.64 -3.20 0.09 0.00 0.00 178.44 175.56 3dy5 n ASN 755 N -3.80 1.89 -0.06 -0.43 2.85 -1.10 -1.85 115.26 112.75 3dy5 n ASN 755 Ca -0.20 0.40 -0.09 0.00 -0.11 0.00 0.00 54.58 54.59 3dy5 n ASN 755 Cb 1.01 -0.90 -0.08 0.00 1.24 0.00 0.00 39.78 41.05 3dy5 n ASN 755 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3dy5 h THR 756 N -1.00 1.13 -4.02 -0.44 2.02 -1.18 -2.12 112.91 107.29 3dy5 h THR 756 Ca -0.44 -1.86 -0.47 0.00 0.77 0.00 0.00 66.41 64.42 3dy5 h THR 756 Cb 1.35 2.14 -0.00 0.00 -1.74 0.00 0.00 68.15 69.90 3dy5 h THR 756 CO -0.26 0.38 0.29 -2.28 0.37 0.00 0.00 175.52 174.02 3dy5 s HIS 757 N -1.99 3.39 0.00 3.16 5.65 0.19 -3.63 115.29 122.06 3dy5 s HIS 757 Ca -0.13 1.43 0.00 0.00 0.25 0.00 0.00 55.06 56.61 3dy5 s HIS 757 Cb -0.02 -2.73 0.00 0.00 -1.18 0.00 0.00 32.58 28.65 3dy5 s HIS 757 CO 0.44 -0.18 0.00 -0.11 -0.65 0.00 0.00 174.74 174.24 3dy5 n LEU 758 N -1.04 0.00 0.33 8.88 7.94 -1.26 -3.90 117.00 127.95 3dy5 n LEU 758 Ca 0.06 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.82 3dy5 n LEU 758 Cb 0.54 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.43 3dy5 n LEU 758 CO 0.43 0.00 0.36 0.25 -1.11 0.00 0.00 177.39 177.32 3dy5 h LEU 759 N 0.00 -0.73 -3.77 -1.96 5.85 -1.49 0.61 115.31 113.83 3dy5 h LEU 759 Ca 0.00 0.03 -0.46 0.00 0.84 0.00 0.00 57.88 58.29 3dy5 h LEU 759 Cb 0.00 0.19 -0.19 0.00 0.37 0.00 0.00 40.66 41.03 3dy5 h LEU 759 CO 0.00 -0.37 0.58 0.54 -0.34 0.00 0.00 178.44 178.85 3dy5 n ARG 760 N -5.20 2.15 0.12 1.25 1.74 -0.80 -2.17 116.66 113.76 3dy5 n ARG 760 Ca -0.11 -2.21 0.00 0.00 -0.77 0.00 0.00 57.85 54.76 3dy5 n ARG 760 Cb 0.34 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 3dy5 n ARG 760 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3dy5 n THR 761 N -0.02 0.00 0.00 0.55 -2.24 -1.25 -4.86 114.28 106.45 3dy5 n THR 761 Ca 0.42 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.20 3dy5 n THR 761 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3dy5 n THR 761 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3dy5 n HIS 762 N -2.98 0.00 0.01 4.78 8.25 -0.96 -4.04 115.22 120.29 3dy5 n HIS 762 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 3dy5 n HIS 762 Cb 0.00 -0.29 0.17 0.00 1.12 0.00 0.00 29.99 30.99 3dy5 n HIS 762 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3dy5 h LEU 763 N 0.00 0.50 0.31 2.41 3.38 -0.98 0.66 115.31 121.59 3dy5 h LEU 763 Ca 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3dy5 h LEU 763 Cb 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3dy5 h LEU 763 CO 0.00 0.79 -0.15 0.71 0.09 0.00 0.00 178.44 179.88 3dy5 h THR 764 N 0.42 0.70 0.00 0.22 1.35 -1.63 -3.26 112.91 110.72 3dy5 h THR 764 Ca 0.05 -0.53 -0.11 0.00 -0.55 0.00 0.00 66.41 65.27 3dy5 h THR 764 Cb 0.76 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 3dy5 h THR 764 CO 0.06 0.10 -0.52 0.71 -0.25 0.00 0.00 175.52 175.62 3dy5 h THR 765 N -0.72 1.33 -1.00 6.82 1.35 -1.65 -3.04 112.91 115.99 3dy5 h THR 765 Ca -0.04 -1.82 0.37 0.00 -0.55 0.00 0.00 66.41 64.36 3dy5 h THR 765 Cb 0.49 1.99 -0.16 0.00 -1.73 0.00 0.00 68.15 68.74 3dy5 h THR 765 CO 0.07 0.51 0.56 -0.08 -0.25 0.00 0.00 175.52 176.33 3dy5 h GLU 766 N 0.00 0.17 -0.37 4.72 4.81 -0.90 0.98 114.58 123.99 3dy5 h GLU 766 Ca -0.01 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3dy5 h GLU 766 Cb 0.95 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.25 3dy5 h GLU 766 CO 0.07 0.11 0.15 0.77 -0.73 0.00 0.00 179.01 179.38 3dy5 h SER 767 N 0.18 0.19 -0.09 1.04 0.02 -1.66 0.14 113.55 113.36 3dy5 h SER 767 Ca 0.79 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.73 3dy5 h SER 767 Cb 1.93 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.47 3dy5 h SER 767 CO -0.68 0.15 -0.03 -0.26 -1.14 0.00 0.00 176.83 174.86 3dy5 h PHE 768 N 0.32 0.31 0.52 3.45 -1.00 0.76 0.30 116.94 121.60 3dy5 h PHE 768 Ca 0.17 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.90 3dy5 h PHE 768 Cb 0.12 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.59 3dy5 h PHE 768 CO -0.13 0.35 -0.30 0.00 -1.61 0.00 0.00 178.31 176.61 3dy5 h ALA 769 N 1.68 -1.15 -0.86 2.45 0.00 0.34 0.81 119.26 122.52 3dy5 h ALA 769 Ca 0.07 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 55.01 3dy5 h ALA 769 Cb 0.26 0.40 -0.16 0.00 0.00 0.00 0.00 17.79 18.29 3dy5 h ALA 769 CO 0.01 -1.12 -0.10 1.25 0.00 0.00 0.00 179.25 179.29 3dy5 h LEU 770 N -0.77 -0.60 -1.55 0.00 7.12 -0.23 0.13 115.31 119.42 3dy5 h LEU 770 Ca -0.07 0.25 -0.03 0.00 0.13 0.00 0.00 57.88 58.15 3dy5 h LEU 770 Cb 0.61 0.47 -0.01 0.00 -0.53 0.00 0.00 40.66 41.20 3dy5 h LEU 770 CO 0.08 -0.27 -0.05 -1.28 -0.13 0.00 0.00 178.44 176.79 3dy5 h SER 771 N 0.03 0.21 -0.18 1.25 0.87 0.11 0.53 113.55 116.37 3dy5 h SER 771 Ca 0.45 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.92 3dy5 h SER 771 Cb 0.79 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 3dy5 h SER 771 CO -0.83 0.30 -0.14 0.74 -0.53 0.00 0.00 176.83 176.37 3dy5 h THR 772 N 0.22 1.33 0.00 2.23 2.02 0.17 -2.05 112.91 116.82 3dy5 h THR 772 Ca 0.05 -1.25 -0.06 0.00 0.77 0.00 0.00 66.41 65.92 3dy5 h THR 772 Cb 0.24 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 3dy5 h THR 772 CO 0.01 0.38 -0.27 -0.50 0.37 0.00 0.00 175.52 175.50 3dy5 h TRP 773 N 0.07 0.00 0.03 3.16 4.06 -0.53 -2.41 115.95 120.33 3dy5 h TRP 773 Ca 0.03 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.71 3dy5 h TRP 773 Cb 0.65 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.83 3dy5 h TRP 773 CO 0.07 0.27 -1.09 0.00 -3.56 0.00 0.00 178.44 174.14 3dy5 h ARG 774 N 0.00 0.65 0.00 0.49 3.08 0.07 -3.42 114.38 115.25 3dy5 h ARG 774 Ca -0.00 -0.74 0.00 0.00 0.07 0.00 0.00 59.98 59.31 3dy5 h ARG 774 Cb 0.63 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3dy5 h ARG 774 CO 0.04 1.32 0.00 0.09 -1.07 0.00 0.00 179.97 180.34 3dy5 n ASN 775 N -3.82 0.14 -4.38 7.04 3.02 -0.78 -4.67 115.26 111.81 3dy5 n ASN 775 Ca -0.11 -0.45 -0.37 0.00 -0.03 0.00 0.00 54.58 53.62 3dy5 n ASN 775 Cb 0.91 0.43 -0.13 0.00 -0.61 0.00 0.00 39.78 40.38 3dy5 n ASN 775 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dy5 s LEU 776 N -0.86 3.62 0.85 3.41 1.43 -0.91 -4.70 118.68 121.52 3dy5 s LEU 776 Ca 0.00 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.47 3dy5 s LEU 776 Cb 0.00 -1.88 0.10 0.00 0.03 0.00 0.00 46.19 44.44 3dy5 s LEU 776 CO 0.00 -0.12 1.11 0.00 0.23 0.00 0.00 176.35 177.56 3dy5 n ALA 777 N 4.88 -0.53 0.25 4.21 0.00 -1.26 -4.84 120.51 123.22 3dy5 n ALA 777 Ca -0.15 -0.43 0.16 0.00 0.00 0.00 0.00 53.44 53.02 3dy5 n ALA 777 Cb 0.49 -2.19 0.87 0.00 0.00 0.00 0.00 19.45 18.63 3dy5 n ALA 777 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dy5 h SER 778 N -1.28 0.00 0.04 0.00 4.64 -1.97 -1.08 113.55 113.89 3dy5 h SER 778 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3dy5 h SER 778 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3dy5 h SER 778 CO 0.43 0.00 -0.20 0.00 -0.87 0.00 0.00 176.83 176.19 3dy5 n ALA 779 N -2.33 2.95 -2.37 5.18 0.00 -1.26 -4.74 120.51 117.94 3dy5 n ALA 779 Ca -0.01 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 3dy5 n ALA 779 Cb 0.21 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 3dy5 n ALA 779 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3dy5 s HIS 780 N -2.25 3.11 0.25 0.00 5.04 -0.41 -0.81 115.29 120.21 3dy5 s HIS 780 Ca 0.27 1.08 -0.03 0.00 -1.54 0.00 0.00 55.06 54.84 3dy5 s HIS 780 Cb 0.19 -3.51 0.45 0.00 0.04 0.00 0.00 32.58 29.76 3dy5 s HIS 780 CO 0.44 -1.72 1.77 -1.35 -2.34 0.00 0.00 174.74 171.53 3dy5 h PRO 781 N 7.48 0.61 -0.01 2.88 0.11 -1.89 -0.05 132.00 141.13 3dy5 h PRO 781 Ca -0.37 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.60 3dy5 h PRO 781 Cb 1.18 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3dy5 h PRO 781 CO 0.88 0.40 -0.48 0.82 -0.21 0.00 0.00 178.00 179.41 3dy5 h ILE 782 N 0.62 1.35 0.48 4.15 1.08 -1.94 0.54 117.51 123.79 3dy5 h ILE 782 Ca 0.42 -1.67 -0.02 0.00 -0.39 0.00 0.00 64.86 63.20 3dy5 h ILE 782 Cb 0.53 1.88 0.00 0.00 -3.07 0.00 0.00 36.82 36.17 3dy5 h ILE 782 CO -0.33 0.48 -0.23 0.15 -0.69 0.00 0.00 178.15 177.53 3dy5 h PHE 783 N 0.03 -0.60 -0.90 1.37 3.57 -1.33 -0.55 116.94 118.52 3dy5 h PHE 783 Ca -0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.58 3dy5 h PHE 783 Cb 0.87 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.73 3dy5 h PHE 783 CO 0.00 -0.34 0.54 0.87 -2.23 0.00 0.00 178.31 177.15 3dy5 h LYS 784 N -0.72 0.87 -0.60 1.11 1.57 -0.54 0.28 116.57 118.54 3dy5 h LYS 784 Ca -0.07 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3dy5 h LYS 784 Cb 0.53 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3dy5 h LYS 784 CO 0.11 0.57 0.30 1.25 -0.57 0.00 0.00 179.45 181.11 3dy5 h LEU 785 N 0.89 0.77 -0.12 2.94 5.85 -0.81 -3.21 115.31 121.63 3dy5 h LEU 785 Ca 0.44 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.90 3dy5 h LEU 785 Cb 0.39 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3dy5 h LEU 785 CO -0.25 0.68 -0.44 -0.07 -0.34 0.00 0.00 178.44 178.02 3dy5 h LEU 786 N 0.82 0.59 -0.46 2.25 3.38 0.36 -3.38 115.31 118.87 3dy5 h LEU 786 Ca 0.21 -0.62 0.08 0.00 0.09 0.00 0.00 57.88 57.64 3dy5 h LEU 786 Cb 0.10 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 3dy5 h LEU 786 CO -0.03 1.11 -0.16 1.67 0.09 0.00 0.00 178.44 181.12 3dy5 n GLN 787 N -4.27 -0.09 0.00 1.13 7.27 0.86 0.15 117.38 122.43 3dy5 n GLN 787 Ca -0.08 0.71 0.09 0.00 0.07 0.00 0.00 57.00 57.80 3dy5 n GLN 787 Cb 0.56 -1.06 0.53 0.00 2.41 0.00 0.00 30.24 32.69 3dy5 n GLN 787 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 3dy5 n PRO 788 N -4.69 0.45 -0.04 3.69 -0.04 -1.26 -3.25 135.00 129.85 3dy5 n PRO 788 Ca 0.05 0.05 -0.07 0.00 -0.04 0.00 0.00 63.50 63.49 3dy5 n PRO 788 Cb 0.20 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.12 3dy5 n PRO 788 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3dy5 n HIS 789 N -1.13 0.00 0.00 0.54 8.25 0.40 -4.00 115.22 119.29 3dy5 n HIS 789 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 3dy5 n HIS 789 Cb 0.10 -0.30 0.01 0.00 1.12 0.00 0.00 29.99 30.92 3dy5 n HIS 789 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3dy5 n ILE 790 N -3.02 1.61 -1.42 1.59 -5.35 -0.29 -4.34 119.36 108.15 3dy5 n ILE 790 Ca -0.15 0.50 -0.31 0.00 -0.27 0.00 0.00 62.75 62.52 3dy5 n ILE 790 Cb 0.63 -1.50 0.08 0.00 -1.74 0.00 0.00 39.64 37.10 3dy5 n ILE 790 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 3dy5 s TYR 791 N -2.83 2.66 0.00 4.28 5.04 -1.20 -4.31 117.35 121.00 3dy5 s TYR 791 Ca -0.00 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.17 3dy5 s TYR 791 Cb 0.00 -3.05 0.00 0.00 0.35 0.00 0.00 41.96 39.26 3dy5 s TYR 791 CO 0.00 -1.69 0.00 0.41 -1.34 0.00 0.00 175.55 172.94 3dy5 n GLY 792 N -1.16 2.03 0.16 8.97 0.00 -1.26 -3.27 105.19 110.65 3dy5 n GLY 792 Ca 0.09 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3dy5 n GLY 792 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3dy5 h VAL 793 N 0.00 0.73 -0.87 1.61 2.07 0.29 -1.30 116.25 118.78 3dy5 h VAL 793 Ca 0.00 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.75 3dy5 h VAL 793 Cb 0.00 0.73 -0.14 0.00 -1.52 0.00 0.00 31.29 30.36 3dy5 h VAL 793 CO 0.00 0.00 0.18 -0.07 0.02 0.00 0.00 177.57 177.70 3dy5 h LEU 794 N -0.22 -0.10 0.37 2.57 3.38 -1.84 -1.39 115.31 118.08 3dy5 h LEU 794 Ca 0.02 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3dy5 h LEU 794 Cb 0.24 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3dy5 h LEU 794 CO -0.08 -0.18 -0.18 0.00 0.09 0.00 0.00 178.44 178.10 3dy5 h ALA 795 N 1.79 -0.49 -0.46 1.53 0.00 -1.46 -3.32 119.26 116.84 3dy5 h ALA 795 Ca 0.53 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 3dy5 h ALA 795 Cb 1.06 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3dy5 h ALA 795 CO -0.68 -0.55 0.01 0.97 0.00 0.00 0.00 179.25 179.01 3dy5 h ILE 796 N -0.96 1.23 -0.24 0.00 6.09 -0.74 -2.58 117.51 120.32 3dy5 h ILE 796 Ca -0.05 -0.96 -0.11 0.00 -1.37 0.00 0.00 64.86 62.38 3dy5 h ILE 796 Cb 0.53 0.87 -0.01 0.00 0.47 0.00 0.00 36.82 38.67 3dy5 h ILE 796 CO 0.08 0.34 -0.31 0.44 -3.07 0.00 0.00 178.15 175.63 3dy5 h ASP 797 N 0.71 0.51 -0.29 2.19 3.32 -1.44 0.50 116.42 121.92 3dy5 h ASP 797 Ca 0.14 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 3dy5 h ASP 797 Cb 0.42 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3dy5 h ASP 797 CO 0.02 0.79 -0.05 0.71 -1.72 0.00 0.00 179.24 178.99 3dy5 h THR 798 N 0.42 1.27 0.14 0.35 1.35 -1.59 -2.66 112.91 112.20 3dy5 h THR 798 Ca 0.05 -1.05 0.01 0.00 -0.55 0.00 0.00 66.41 64.87 3dy5 h THR 798 Cb 0.76 1.37 -0.04 0.00 -1.73 0.00 0.00 68.15 68.51 3dy5 h THR 798 CO 0.06 0.34 -0.45 0.40 -0.25 0.00 0.00 175.52 175.62 3dy5 h ILE 799 N 0.32 0.00 0.00 6.82 2.04 -1.25 -2.51 117.51 122.93 3dy5 h ILE 799 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 3dy5 h ILE 799 Cb 0.51 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3dy5 h ILE 799 CO 0.02 0.00 0.02 0.61 0.00 0.00 0.00 178.15 178.81 3dy5 n GLY 800 N -1.42 -0.28 0.27 5.37 0.00 0.15 -2.33 105.19 106.94 3dy5 n GLY 800 Ca -0.08 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.11 3dy5 n GLY 800 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dy5 h ARG 801 N 0.00 0.00 0.00 1.61 3.08 -1.08 -0.37 114.38 117.62 3dy5 h ARG 801 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dy5 h ARG 801 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3dy5 h ARG 801 CO 0.00 0.00 -0.67 1.17 -1.07 0.00 0.00 179.97 179.40 3dy5 n LYS 802 N -3.05 2.12 -0.07 0.04 3.00 -0.99 -2.87 118.16 116.34 3dy5 n LYS 802 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.23 3dy5 n LYS 802 Cb 0.31 -0.84 -0.06 0.00 0.00 0.00 0.00 35.03 34.45 3dy5 n LYS 802 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3dy5 h GLU 803 N 0.00 0.00 0.00 1.64 4.39 -1.50 -3.36 114.58 115.75 3dy5 h GLU 803 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dy5 h GLU 803 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3dy5 h GLU 803 CO 0.00 0.41 0.00 1.28 -1.16 0.00 0.00 179.01 179.54 3dy5 n LEU 804 N -4.62 0.11 -0.26 1.33 4.77 -0.53 -0.28 117.00 117.52 3dy5 n LEU 804 Ca -0.11 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.90 3dy5 n LEU 804 Cb 0.32 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.58 3dy5 n LEU 804 CO 0.14 0.00 1.06 -0.29 -1.33 0.00 0.00 177.39 176.97 3dy5 h ILE 805 N 0.00 0.77 -2.15 -0.08 -0.00 -1.40 -2.93 117.51 111.73 3dy5 h ILE 805 Ca 0.00 -0.19 -0.63 0.00 -0.00 0.00 0.00 64.86 64.04 3dy5 h ILE 805 Cb 0.00 0.17 0.08 0.00 -0.00 0.00 0.00 36.82 37.07 3dy5 h ILE 805 CO 0.00 0.10 0.37 0.61 -0.00 0.00 0.00 178.15 179.23 3dy5 n GLY 806 N -1.31 0.26 3.64 8.18 0.00 -1.14 -4.83 105.19 109.99 3dy5 n GLY 806 Ca 0.13 0.52 -0.44 0.00 0.00 0.00 0.00 46.02 46.23 3dy5 n GLY 806 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dy5 n SER 807 N 2.06 2.10 0.00 1.61 7.64 -1.26 -1.06 113.62 124.71 3dy5 n SER 807 Ca 0.14 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.20 3dy5 n SER 807 Cb 0.27 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 3dy5 n SER 807 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dy5 n GLY 808 N 1.32 0.22 0.00 0.23 0.00 -1.26 -4.99 105.19 100.71 3dy5 n GLY 808 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3dy5 n GLY 808 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dy5 n GLY 809 N -0.79 0.84 0.17 -0.02 0.00 -0.22 -4.91 105.19 100.25 3dy5 n GLY 809 Ca 0.00 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.40 3dy5 n GLY 809 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dy5 h ILE 810 N 0.00 1.31 -0.01 -0.61 -0.00 -0.71 -3.33 117.51 114.17 3dy5 h ILE 810 Ca 0.00 -2.44 0.00 0.00 -0.00 0.00 0.00 64.86 62.42 3dy5 h ILE 810 Cb 0.00 2.59 0.00 0.00 -0.00 0.00 0.00 36.82 39.41 3dy5 h ILE 810 CO 0.00 0.74 -0.05 0.55 -0.00 0.00 0.00 178.15 179.39 3dy5 n VAL 811 N -3.79 0.00 0.79 2.19 3.14 -1.10 -1.40 118.33 118.16 3dy5 n VAL 811 Ca -0.12 -0.09 0.11 0.00 -2.96 0.00 0.00 64.34 61.29 3dy5 n VAL 811 Cb 0.94 -0.07 0.28 0.00 -1.06 0.00 0.00 33.84 33.94 3dy5 n VAL 811 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3dy5 n ASP 812 N -0.69 2.57 0.00 6.55 8.00 -1.25 -4.03 116.55 127.70 3dy5 n ASP 812 Ca 0.18 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.82 3dy5 n ASP 812 Cb 0.25 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 3dy5 n ASP 812 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dy5 n GLN 813 N 0.92 4.48 -0.10 -1.24 6.02 -1.09 -4.63 117.38 121.74 3dy5 n GLN 813 Ca 0.17 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.98 3dy5 n GLN 813 Cb 0.47 -0.45 -0.09 0.00 1.02 0.00 0.00 30.24 31.19 3dy5 n GLN 813 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3dy5 n SER 814 N -0.14 1.86 -3.20 1.08 3.41 -0.49 -4.82 113.62 111.31 3dy5 n SER 814 Ca 0.00 0.46 -0.11 0.00 -0.26 0.00 0.00 58.87 58.96 3dy5 n SER 814 Cb 0.00 -0.93 0.06 0.00 -0.26 0.00 0.00 64.21 63.08 3dy5 n SER 814 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dy5 n LEU 815 N -4.46 0.00 -0.06 1.04 4.77 -1.26 -4.42 117.00 112.61 3dy5 n LEU 815 Ca -0.28 -0.99 -0.12 0.00 -0.03 0.00 0.00 56.01 54.59 3dy5 n LEU 815 Cb 0.60 -0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 41.22 3dy5 n LEU 815 CO 0.16 -0.75 -0.88 -0.24 -1.33 0.00 0.00 177.39 174.35 3dy5 n SER 816 N -2.99 0.87 -1.84 -1.43 2.88 -1.06 -4.23 113.62 105.82 3dy5 n SER 816 Ca 0.08 0.18 -0.17 0.00 -1.33 0.00 0.00 58.87 57.63 3dy5 n SER 816 Cb 0.28 0.15 0.08 0.00 -0.75 0.00 0.00 64.21 63.98 3dy5 n SER 816 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3dy5 n LEU 817 N -3.03 5.87 -4.89 2.46 4.77 -1.26 -3.06 117.00 117.86 3dy5 n LEU 817 Ca -0.28 -3.08 -0.29 0.00 -0.03 0.00 0.00 56.01 52.34 3dy5 n LEU 817 Cb 1.08 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3dy5 n LEU 817 CO 0.42 1.02 0.53 -0.83 -1.33 0.00 0.00 177.39 177.20 3dy5 s GLY 818 N -0.31 1.57 0.00 -0.72 0.00 -1.26 -0.91 107.32 105.70 3dy5 s GLY 818 Ca 0.36 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.71 3dy5 s GLY 818 CO 0.03 -0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.57 3dy5 n GLY 819 N -2.36 1.07 0.00 0.20 0.00 -1.26 -3.47 105.19 99.36 3dy5 n GLY 819 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3dy5 n GLY 819 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dy5 n GLY 820 N -0.66 2.65 0.33 -0.02 0.00 -1.26 -4.93 105.19 101.30 3dy5 n GLY 820 Ca 0.00 -0.55 0.22 0.00 0.00 0.00 0.00 46.02 45.69 3dy5 n GLY 820 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dy5 h GLY 821 N 0.00 0.00 1.76 -0.02 0.00 -1.70 -1.62 103.07 101.48 3dy5 h GLY 821 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 3dy5 h GLY 821 CO 0.00 0.00 -0.98 1.12 0.00 0.00 0.00 176.54 176.68 3dy5 h HIS 822 N 0.00 0.32 -0.26 5.60 2.07 -1.25 -3.16 115.15 118.47 3dy5 h HIS 822 Ca -0.00 -0.20 -0.08 0.00 -2.85 0.00 0.00 60.37 57.24 3dy5 h HIS 822 Cb 0.03 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 3dy5 h HIS 822 CO 0.00 1.06 -0.20 0.28 -3.07 0.00 0.00 177.93 176.00 3dy5 h VAL 823 N 0.09 1.25 0.13 6.12 2.07 -1.59 -0.14 116.25 124.17 3dy5 h VAL 823 Ca -0.06 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.32 3dy5 h VAL 823 Cb 1.65 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 3dy5 h VAL 823 CO 0.15 0.37 -0.28 0.74 0.02 0.00 0.00 177.57 178.56 3dy5 h THR 824 N 0.42 0.00 -0.54 2.57 2.02 -1.60 -1.99 112.91 113.79 3dy5 h THR 824 Ca 0.07 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.36 3dy5 h THR 824 Cb 0.58 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.89 3dy5 h THR 824 CO 0.04 0.00 -0.15 0.15 0.37 0.00 0.00 175.52 175.92 3dy5 h PHE 825 N -0.45 -0.35 -0.29 3.16 3.57 -1.42 0.51 116.94 121.69 3dy5 h PHE 825 Ca -0.01 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.60 3dy5 h PHE 825 Cb 0.43 0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.34 3dy5 h PHE 825 CO -0.32 -0.25 -0.15 0.52 -2.23 0.00 0.00 178.31 175.88 3dy5 h MET 826 N -0.02 -0.11 0.62 1.11 2.86 -1.06 0.45 114.93 118.78 3dy5 h MET 826 Ca 0.26 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.88 3dy5 h MET 826 Cb 0.42 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 3dy5 h MET 826 CO -0.57 -0.07 -0.37 0.93 1.06 0.00 0.00 176.91 177.89 3dy5 h GLU 827 N -0.11 -0.90 -0.55 1.72 5.08 -0.31 -1.91 114.58 117.60 3dy5 h GLU 827 Ca 0.15 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.63 3dy5 h GLU 827 Cb 0.34 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3dy5 h GLU 827 CO -0.36 -0.60 0.37 -0.22 -1.00 0.00 0.00 179.01 177.20 3dy5 h LYS 828 N -0.93 0.52 0.06 2.33 3.64 0.39 -2.37 116.57 120.21 3dy5 h LYS 828 Ca -0.08 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.00 3dy5 h LYS 828 Cb 0.75 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.48 3dy5 h LYS 828 CO 0.08 0.34 -1.11 0.00 -2.27 0.00 0.00 179.45 176.50 3dy5 h PHE 830 N 0.30 0.00 -0.29 0.00 3.57 -0.81 -1.51 116.94 118.20 3dy5 h PHE 830 Ca -0.15 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.43 3dy5 h PHE 830 Cb 1.77 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.50 3dy5 h PHE 830 CO 0.11 0.01 0.27 0.87 -2.23 0.00 0.00 178.31 177.34 3dy5 h LYS 831 N 0.00 0.00 -1.40 1.11 1.57 -1.50 -2.08 116.57 114.27 3dy5 h LYS 831 Ca -0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 3dy5 h LYS 831 Cb 0.03 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 31.93 3dy5 h LYS 831 CO 0.00 0.00 -0.57 0.39 -0.57 0.00 0.00 179.45 178.70 3dy5 n GLU 832 N -3.98 3.40 -3.75 3.15 4.71 -0.57 -2.90 120.64 120.70 3dy5 n GLU 832 Ca 0.04 -4.34 -0.37 0.00 -0.01 0.00 0.00 57.16 52.48 3dy5 n GLU 832 Cb 0.42 -2.26 -0.12 0.00 -1.01 0.00 0.00 31.44 28.47 3dy5 n GLU 832 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3dy5 s VAL 833 N -5.30 4.29 -0.10 2.62 1.01 -0.79 -5.06 120.40 117.07 3dy5 s VAL 833 Ca 0.49 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.23 3dy5 s VAL 833 Cb 0.41 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 3dy5 s VAL 833 CO -0.16 0.28 -0.19 0.21 0.00 0.00 0.00 175.10 175.23 3dy5 s ASN 834 N 1.60 3.50 0.45 3.32 2.47 -1.26 -4.25 114.94 120.77 3dy5 s ASN 834 Ca 0.06 -0.43 0.20 0.00 0.42 0.00 0.00 52.86 53.10 3dy5 s ASN 834 Cb -0.16 -1.30 1.06 0.00 -1.45 0.00 0.00 41.25 39.41 3dy5 s ASN 834 CO 0.04 0.20 1.54 0.25 -3.72 0.00 0.00 177.10 175.41 3dy5 h LEU 835 N 6.42 0.00 -0.93 3.21 5.85 -0.70 0.86 115.31 130.02 3dy5 h LEU 835 Ca -0.27 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 3dy5 h LEU 835 Cb 1.21 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 3dy5 h LEU 835 CO 0.50 0.00 0.44 1.56 -0.34 0.00 0.00 178.44 180.61 3dy5 h GLN 836 N 0.00 1.20 0.00 1.25 1.08 -1.83 -3.16 115.11 113.65 3dy5 h GLN 836 Ca 0.00 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 3dy5 h GLN 836 Cb 0.61 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 3dy5 h GLN 836 CO 0.00 0.90 0.65 -0.44 -0.95 0.00 0.00 178.83 178.99 3dy5 h ASP 837 N 1.20 0.00 0.16 1.46 3.32 0.35 -0.96 116.42 121.95 3dy5 h ASP 837 Ca 0.30 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.08 3dy5 h ASP 837 Cb 0.07 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 3dy5 h ASP 837 CO -0.04 0.00 -2.09 -1.22 -1.72 0.00 0.00 179.24 174.16 3dy5 n TYR 838 N -2.27 0.27 -1.55 4.55 4.02 -1.19 -4.78 117.16 116.20 3dy5 n TYR 838 Ca -0.01 0.09 -0.16 0.00 -0.01 0.00 0.00 57.90 57.82 3dy5 n TYR 838 Cb 0.67 -0.95 -0.08 0.00 -0.02 0.00 0.00 39.34 38.96 3dy5 n TYR 838 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 3dy5 n HIS 839 N -2.72 1.10 -0.17 -0.72 -0.00 -0.37 -4.83 115.22 107.51 3dy5 n HIS 839 Ca -0.23 -0.00 -0.01 0.00 0.46 0.00 0.00 57.72 57.94 3dy5 n HIS 839 Cb 1.00 -2.47 0.08 0.00 -0.12 0.00 0.00 29.99 28.48 3dy5 n HIS 839 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 3dy5 h LEU 840 N 21.48 -0.11 -0.60 0.27 5.85 -1.86 0.13 115.31 140.47 3dy5 h LEU 840 Ca -0.02 0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 3dy5 h LEU 840 Cb 1.03 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 3dy5 h LEU 840 CO 1.06 -0.03 -0.41 1.55 -0.34 0.00 0.00 178.44 180.27 3dy5 h PRO 841 N 0.18 0.65 -0.38 5.25 0.13 -1.97 -1.98 132.00 133.88 3dy5 h PRO 841 Ca 0.28 -0.34 -0.06 0.00 -0.87 0.00 0.00 66.00 65.00 3dy5 h PRO 841 Cb 0.41 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 3dy5 h PRO 841 CO -0.41 0.94 -0.03 -0.91 -0.23 0.00 0.00 178.00 177.36 3dy5 h ASN 842 N 0.53 0.59 0.39 1.44 -0.26 -1.63 -2.59 115.58 114.06 3dy5 h ASN 842 Ca 0.04 -0.13 -0.29 0.00 -0.56 0.00 0.00 56.30 55.36 3dy5 h ASN 842 Cb 0.94 -0.16 0.02 0.00 -1.06 0.00 0.00 38.32 38.06 3dy5 h ASN 842 CO 0.08 0.68 -1.27 0.00 -1.06 0.00 0.00 177.43 175.87 3dy5 h ALA 843 N 1.39 0.04 -0.01 -0.83 0.00 -0.75 -2.01 119.26 117.09 3dy5 h ALA 843 Ca 0.12 -0.83 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 3dy5 h ALA 843 Cb 0.42 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3dy5 h ALA 843 CO 0.02 0.82 -0.32 -0.07 0.00 0.00 0.00 179.25 179.70 3dy5 h LEU 844 N 0.16 0.02 0.01 0.00 4.07 -1.30 -1.59 115.31 116.68 3dy5 h LEU 844 Ca -0.17 -0.01 -0.15 0.00 0.08 0.00 0.00 57.88 57.63 3dy5 h LEU 844 Cb 1.96 -0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.71 3dy5 h LEU 844 CO 0.23 0.34 -0.61 0.50 -1.08 0.00 0.00 178.44 177.81 3dy5 h LYS 845 N 0.02 0.39 -0.50 1.13 1.63 -1.47 -2.06 116.57 115.71 3dy5 h LYS 845 Ca -0.00 -0.44 0.14 0.00 -0.85 0.00 0.00 60.65 59.51 3dy5 h LYS 845 Cb 0.57 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 3dy5 h LYS 845 CO 0.04 1.11 0.45 -0.22 -3.45 0.00 0.00 179.45 177.38 3dy5 h LYS 846 N -0.15 0.00 -0.17 1.90 3.64 -0.95 0.85 116.57 121.69 3dy5 h LYS 846 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3dy5 h LYS 846 Cb 1.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3dy5 h LYS 846 CO 0.12 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.84 3dy5 n ARG 847 N -3.95 2.21 -2.32 1.90 1.74 -0.64 -4.97 116.66 110.63 3dy5 n ARG 847 Ca 0.09 -1.98 -0.20 0.00 -0.77 0.00 0.00 57.85 54.99 3dy5 n ARG 847 Cb 0.65 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.63 3dy5 n ARG 847 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dy5 n GLY 848 N 1.30 -0.26 0.39 -0.13 0.00 0.29 -1.02 105.19 105.76 3dy5 n GLY 848 Ca 0.15 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.17 3dy5 n GLY 848 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3dy5 n VAL 849 N -3.89 0.33 0.37 1.61 3.14 -0.80 -4.51 118.33 114.58 3dy5 n VAL 849 Ca -0.24 -0.67 0.10 0.00 -2.96 0.00 0.00 64.34 60.58 3dy5 n VAL 849 Cb 0.68 0.95 0.26 0.00 -1.06 0.00 0.00 33.84 34.67 3dy5 n VAL 849 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 3dy5 n ASP 850 N 0.41 2.89 -4.48 6.55 5.68 -1.23 -4.84 116.55 121.53 3dy5 n ASP 850 Ca 0.06 -1.96 -0.43 0.00 -0.50 0.00 0.00 54.79 51.96 3dy5 n ASP 850 Cb 0.27 -0.32 -0.03 0.00 -1.14 0.00 0.00 41.12 39.90 3dy5 n ASP 850 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3dy5 s ASP 851 N -1.16 6.54 0.00 -1.12 -1.08 -1.26 -4.87 116.67 113.72 3dy5 s ASP 851 Ca 0.37 -1.76 0.01 0.00 -0.52 0.00 0.00 52.55 50.65 3dy5 s ASP 851 Cb 0.20 -2.45 0.06 0.00 -1.46 0.00 0.00 42.92 39.27 3dy5 s ASP 851 CO 0.27 -1.24 0.28 -0.81 0.52 0.00 0.00 175.17 174.19 3dy5 n PRO 852 N 7.36 0.12 -0.02 4.34 -0.04 -1.26 -1.23 135.00 144.27 3dy5 n PRO 852 Ca 0.24 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.69 3dy5 n PRO 852 Cb 0.49 -1.13 -0.05 0.00 -0.04 0.00 0.00 33.50 32.77 3dy5 n PRO 852 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3dy5 n SER 853 N -0.63 3.42 0.13 3.54 3.41 -1.26 -4.59 113.62 117.63 3dy5 n SER 853 Ca 0.01 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.74 3dy5 n SER 853 Cb 0.00 0.91 0.15 0.00 -0.26 0.00 0.00 64.21 65.02 3dy5 n SER 853 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3dy5 h LYS 854 N 0.00 0.00 -2.87 4.33 1.57 -1.54 -3.43 116.57 114.63 3dy5 h LYS 854 Ca -0.11 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.17 3dy5 h LYS 854 Cb 0.99 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.89 3dy5 h LYS 854 CO 0.01 0.00 -0.77 -1.17 -0.57 0.00 0.00 179.45 176.95 3dy5 s LEU 855 N -5.21 0.46 0.21 2.94 2.96 -0.93 -4.52 118.68 114.59 3dy5 s LEU 855 Ca 0.05 -1.05 -0.02 0.00 -0.22 0.00 0.00 54.13 52.89 3dy5 s LEU 855 Cb 0.10 -0.30 -0.05 0.00 0.50 0.00 0.00 46.19 46.44 3dy5 s LEU 855 CO 0.71 -0.41 0.42 -2.16 -1.32 0.00 0.00 176.35 173.59 3dy5 s PRO 856 N 2.12 3.55 -0.89 0.98 0.05 -1.26 -4.55 135.00 134.99 3dy5 s PRO 856 Ca 0.07 -0.26 -0.05 0.00 0.05 0.00 0.00 61.00 60.82 3dy5 s PRO 856 Cb -0.16 -2.81 -0.05 0.00 0.05 0.00 0.00 34.50 31.53 3dy5 s PRO 856 CO -0.28 0.37 0.79 0.41 0.05 0.00 0.00 177.00 178.35 3dy5 n GLY 857 N -0.63 -0.96 2.68 0.56 0.00 -1.26 -4.82 105.19 100.76 3dy5 n GLY 857 Ca -0.04 0.48 -0.26 0.00 0.00 0.00 0.00 46.02 46.20 3dy5 n GLY 857 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3dy5 n PHE 858 N -2.84 3.38 -0.02 1.61 7.35 -1.26 -4.74 117.46 120.94 3dy5 n PHE 858 Ca -0.05 -4.01 0.09 0.00 -0.76 0.00 0.00 57.45 52.72 3dy5 n PHE 858 Cb 0.59 -0.50 0.50 0.00 0.35 0.00 0.00 39.48 40.42 3dy5 n PHE 858 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 3dy5 h TYR 859 N 3.37 0.40 -0.13 -5.13 0.99 -1.94 -0.77 116.97 113.77 3dy5 h TYR 859 Ca 0.14 0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.92 3dy5 h TYR 859 Cb 0.61 -0.13 -0.07 0.00 1.00 0.00 0.00 36.73 38.14 3dy5 h TYR 859 CO 0.75 0.22 -0.45 -0.92 -0.00 0.00 0.00 178.16 177.76 3dy5 h TYR 860 N 0.40 -1.31 0.00 4.88 3.20 -1.90 0.36 116.97 122.61 3dy5 h TYR 860 Ca 0.20 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3dy5 h TYR 860 Cb 0.29 0.59 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 3dy5 h TYR 860 CO -0.00 -0.50 -0.00 -0.09 -1.64 0.00 0.00 178.16 175.93 3dy5 h ARG 861 N -0.52 -0.00 -0.91 1.82 2.43 -1.55 0.78 114.38 116.43 3dy5 h ARG 861 Ca 0.07 0.00 0.31 0.00 -0.81 0.00 0.00 59.98 59.54 3dy5 h ARG 861 Cb 0.65 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.03 3dy5 h ARG 861 CO -0.41 -0.00 0.23 -0.25 -1.51 0.00 0.00 179.97 178.03 3dy5 n ASP 862 N -2.37 0.08 -0.07 -3.80 10.43 -0.81 0.25 116.55 120.26 3dy5 n ASP 862 Ca -0.00 1.53 -0.09 0.00 2.57 0.00 0.00 54.79 58.80 3dy5 n ASP 862 Cb 0.00 -0.64 -0.05 0.00 1.84 0.00 0.00 41.12 42.27 3dy5 n ASP 862 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3dy5 h ASP 863 N 0.00 0.00 -1.32 -2.24 3.32 -0.22 -3.30 116.42 112.66 3dy5 h ASP 863 Ca 0.65 -0.23 0.40 0.00 0.02 0.00 0.00 57.03 57.87 3dy5 h ASP 863 Cb 1.54 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.99 3dy5 h ASP 863 CO -0.79 0.91 0.89 1.23 -1.72 0.00 0.00 179.24 179.77 3dy5 h GLY 864 N -1.00 0.84 0.70 2.75 0.00 0.13 -1.04 103.07 105.45 3dy5 h GLY 864 Ca -0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3dy5 h GLY 864 CO -0.05 -0.20 -0.33 1.41 0.00 0.00 0.00 176.54 177.36 3dy5 h LEU 865 N 0.13 -0.79 -1.49 3.11 3.38 -0.33 0.10 115.31 119.42 3dy5 h LEU 865 Ca 0.74 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.84 3dy5 h LEU 865 Cb 2.44 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 43.35 3dy5 h LEU 865 CO -0.25 -0.51 0.48 0.00 0.09 0.00 0.00 178.44 178.24 3dy5 h ALA 866 N -1.47 1.91 0.09 1.53 0.00 -1.28 0.46 119.26 120.50 3dy5 h ALA 866 Ca -0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3dy5 h ALA 866 Cb 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3dy5 h ALA 866 CO 0.16 -0.07 -0.04 -0.07 0.00 0.00 0.00 179.25 179.22 3dy5 h LEU 867 N 0.56 -0.10 -0.65 0.00 3.38 -1.39 0.39 115.31 117.50 3dy5 h LEU 867 Ca 0.34 -0.24 0.12 0.00 0.09 0.00 0.00 57.88 58.19 3dy5 h LEU 867 Cb 0.56 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 3dy5 h LEU 867 CO -0.12 0.19 0.19 -0.25 0.09 0.00 0.00 178.44 178.54 3dy5 h TRP 868 N -0.39 0.31 0.28 1.13 2.91 0.19 0.63 115.95 121.01 3dy5 h TRP 868 Ca -0.01 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 3dy5 h TRP 868 Cb 0.33 -0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 28.94 3dy5 h TRP 868 CO 0.02 0.00 -0.17 1.49 -1.03 0.00 0.00 178.44 178.75 3dy5 h GLU 869 N 0.33 -0.41 -0.70 2.65 4.81 -0.04 -0.20 114.58 121.01 3dy5 h GLU 869 Ca 0.35 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.63 3dy5 h GLU 869 Cb 0.52 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 3dy5 h GLU 869 CO -0.40 -0.27 0.45 0.00 -0.73 0.00 0.00 179.01 178.05 3dy5 h ALA 870 N 0.28 0.91 -0.49 2.92 0.00 0.11 -0.44 119.26 122.55 3dy5 h ALA 870 Ca -0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3dy5 h ALA 870 Cb 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3dy5 h ALA 870 CO 0.03 0.24 0.03 0.82 0.00 0.00 0.00 179.25 180.37 3dy5 h ILE 871 N 0.88 1.26 0.45 0.00 2.04 0.33 -2.73 117.51 119.74 3dy5 h ILE 871 Ca 0.28 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3dy5 h ILE 871 Cb -0.01 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3dy5 h ILE 871 CO -0.10 0.36 -0.30 -0.08 0.00 0.00 0.00 178.15 178.03 3dy5 h GLU 872 N 0.71 -0.71 -0.79 2.37 4.81 -0.43 -0.74 114.58 119.80 3dy5 h GLU 872 Ca 0.14 0.05 0.18 0.00 -0.13 0.00 0.00 59.36 59.60 3dy5 h GLU 872 Cb 0.47 0.16 -0.12 0.00 0.63 0.00 0.00 28.75 29.89 3dy5 h GLU 872 CO 0.02 -0.47 0.22 1.15 -0.73 0.00 0.00 179.01 179.20 3dy5 h THR 873 N -0.73 0.47 0.06 0.32 2.02 -1.07 0.11 112.91 114.10 3dy5 h THR 873 Ca -0.05 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 3dy5 h THR 873 Cb 0.61 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3dy5 h THR 873 CO 0.03 0.05 -0.03 0.15 0.37 0.00 0.00 175.52 176.09 3dy5 h PHE 874 N 0.28 -0.08 -0.86 3.16 3.57 -1.17 -2.76 116.94 119.08 3dy5 h PHE 874 Ca 0.46 -0.00 0.35 0.00 3.53 0.00 0.00 57.97 62.31 3dy5 h PHE 874 Cb 0.83 0.03 -0.16 0.00 2.79 0.00 0.00 35.95 39.44 3dy5 h PHE 874 CO -0.25 -0.05 0.43 -0.89 -2.23 0.00 0.00 178.31 175.32 3dy5 n ILE 875 N -2.30 -0.36 -0.01 1.41 5.41 -0.31 -1.62 119.36 121.57 3dy5 n ILE 875 Ca -0.01 1.77 -0.04 0.00 1.00 0.00 0.00 62.75 65.47 3dy5 n ILE 875 Cb 0.03 -2.85 -0.02 0.00 -0.71 0.00 0.00 39.64 36.09 3dy5 n ILE 875 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3dy5 h GLY 876 N 0.00 -1.53 2.00 7.39 0.00 -0.49 -1.00 103.07 109.44 3dy5 h GLY 876 Ca 0.72 0.71 -0.08 0.00 0.00 0.00 0.00 47.33 48.68 3dy5 h GLY 876 CO -0.68 -0.53 -0.37 1.05 0.00 0.00 0.00 176.54 176.02 3dy5 h GLU 877 N -0.13 0.00 -0.56 4.80 4.11 -1.09 -1.85 114.58 119.86 3dy5 h GLU 877 Ca 0.01 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.54 3dy5 h GLU 877 Cb 0.16 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 3dy5 h GLU 877 CO -0.12 0.37 0.14 0.82 0.07 0.00 0.00 179.01 180.29 3dy5 h ILE 878 N 0.00 0.71 0.14 -1.06 1.08 -1.09 0.34 117.51 117.63 3dy5 h ILE 878 Ca -0.00 -0.10 0.01 0.00 -0.39 0.00 0.00 64.86 64.38 3dy5 h ILE 878 Cb 0.69 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 3dy5 h ILE 878 CO 0.05 0.05 -0.24 0.40 -0.69 0.00 0.00 178.15 177.72 3dy5 h ILE 879 N 0.29 0.47 -0.28 -0.67 1.08 -0.41 -3.04 117.51 114.94 3dy5 h ILE 879 Ca 0.28 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.82 3dy5 h ILE 879 Cb 0.38 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 3dy5 h ILE 879 CO -0.34 0.00 0.20 0.00 -0.69 0.00 0.00 178.15 177.32 3dy5 h ALA 880 N 0.28 2.15 -0.09 1.87 0.00 -0.55 1.78 119.26 124.69 3dy5 h ALA 880 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3dy5 h ALA 880 Cb 0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3dy5 h ALA 880 CO -0.12 -0.21 -0.00 0.82 0.00 0.00 0.00 179.25 179.73 3dy5 h ILE 881 N 0.09 1.26 0.02 0.00 2.04 -0.29 -3.40 117.51 117.24 3dy5 h ILE 881 Ca 0.13 -0.82 -0.39 0.00 1.00 0.00 0.00 64.86 64.78 3dy5 h ILE 881 Cb 0.40 1.62 -0.06 0.00 -0.74 0.00 0.00 36.82 38.04 3dy5 h ILE 881 CO -0.01 0.23 -2.30 0.49 0.00 0.00 0.00 178.15 176.56 3dy5 n PHE 882 N -4.82 0.33 -3.08 1.37 0.99 -0.28 -4.77 117.46 107.21 3dy5 n PHE 882 Ca -0.06 0.09 -0.42 0.00 -0.00 0.00 0.00 57.45 57.05 3dy5 n PHE 882 Cb 0.20 -1.04 -0.06 0.00 -1.00 0.00 0.00 39.48 37.58 3dy5 n PHE 882 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.76 177.47 3dy5 s TYR 883 N -2.51 3.09 -0.81 1.38 1.51 0.59 -4.93 117.35 115.67 3dy5 s TYR 883 Ca -0.33 0.17 0.25 0.00 -1.01 0.00 0.00 57.07 56.15 3dy5 s TYR 883 Cb 0.10 -3.31 0.46 0.00 -0.11 0.00 0.00 41.96 39.09 3dy5 s TYR 883 CO 0.61 -0.78 1.39 1.63 -1.11 0.00 0.00 175.55 177.28 3dy5 n LYS 884 N 6.25 0.15 -3.65 -0.62 4.76 -1.26 -3.94 118.16 119.84 3dy5 n LYS 884 Ca -0.01 0.04 -0.02 0.00 -2.87 0.00 0.00 58.31 55.46 3dy5 n LYS 884 Cb 0.48 -1.59 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 3dy5 n LYS 884 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3dy5 s ASN 885 N -3.62 -0.01 0.62 4.39 2.20 -1.26 -5.05 114.94 112.21 3dy5 s ASN 885 Ca 0.09 0.01 0.29 0.00 -0.94 0.00 0.00 52.86 52.30 3dy5 s ASN 885 Cb 0.15 0.01 1.54 0.00 -2.00 0.00 0.00 41.25 40.96 3dy5 s ASN 885 CO 0.70 -0.01 1.92 0.44 -2.94 0.00 0.00 177.10 177.21 3dy5 h ASP 886 N 2.01 0.00 -0.75 3.54 3.45 -1.92 0.72 116.42 123.47 3dy5 h ASP 886 Ca -0.05 0.00 0.04 0.00 0.43 0.00 0.00 57.03 57.46 3dy5 h ASP 886 Cb 1.16 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.88 3dy5 h ASP 886 CO 0.20 0.00 0.50 -0.78 -1.57 0.00 0.00 179.24 177.59 3dy5 h ASP 887 N 0.00 0.77 -0.13 6.45 3.58 -1.97 0.23 116.42 125.36 3dy5 h ASP 887 Ca 0.12 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 3dy5 h ASP 887 Cb 0.92 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 3dy5 h ASP 887 CO -0.00 0.52 0.03 0.44 -2.88 0.00 0.00 179.24 177.35 3dy5 h ASP 888 N 0.89 0.19 -0.40 2.28 3.32 -1.27 -2.76 116.42 118.68 3dy5 h ASP 888 Ca 0.31 -0.23 0.06 0.00 0.02 0.00 0.00 57.03 57.19 3dy5 h ASP 888 Cb 0.11 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 3dy5 h ASP 888 CO -0.09 0.38 0.07 0.58 -1.72 0.00 0.00 179.24 178.45 3dy5 h VAL 889 N -0.00 0.78 0.07 -1.35 2.07 -1.42 -1.15 116.25 115.25 3dy5 h VAL 889 Ca 0.04 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3dy5 h VAL 889 Cb 0.26 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3dy5 h VAL 889 CO 0.00 0.04 -0.43 0.11 0.02 0.00 0.00 177.57 177.31 3dy5 h LYS 890 N 0.19 -0.60 0.00 1.57 1.57 -1.02 -3.27 116.57 115.00 3dy5 h LYS 890 Ca 0.19 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3dy5 h LYS 890 Cb 0.24 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3dy5 h LYS 890 CO -0.26 -0.40 0.00 2.89 -0.57 0.00 0.00 179.45 181.10 3dy5 n ARG 891 N -5.46 0.16 -2.43 3.15 1.85 -0.93 -4.71 116.66 108.29 3dy5 n ARG 891 Ca -0.07 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.37 3dy5 n ARG 891 Cb 0.38 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.26 3dy5 n ARG 891 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3dy5 s ASP 892 N -2.84 6.18 0.41 2.89 -1.08 -0.48 -4.91 116.67 116.83 3dy5 s ASP 892 Ca 0.19 0.21 0.21 0.00 -0.52 0.00 0.00 52.55 52.64 3dy5 s ASP 892 Cb 0.19 -2.55 0.81 0.00 -1.46 0.00 0.00 42.92 39.92 3dy5 s ASP 892 CO 0.50 -1.68 1.79 -0.55 0.52 0.00 0.00 175.17 175.75 3dy5 h ASN 893 N 10.76 0.00 0.42 -0.34 7.08 -1.90 -2.76 115.58 128.84 3dy5 h ASN 893 Ca -0.27 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 52.93 3dy5 h ASN 893 Cb 1.08 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.33 3dy5 h ASN 893 CO 1.19 0.30 -0.20 -0.33 -2.08 0.00 0.00 177.43 176.31 3dy5 h GLU 894 N 0.00 -0.55 0.00 4.14 5.08 -1.91 0.79 114.58 122.14 3dy5 h GLU 894 Ca -0.00 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3dy5 h GLU 894 Cb 0.80 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 3dy5 h GLU 894 CO 0.04 -0.29 -0.08 0.97 -1.00 0.00 0.00 179.01 178.65 3dy5 h ILE 895 N -1.08 0.59 0.02 3.13 6.09 -1.84 0.66 117.51 125.08 3dy5 h ILE 895 Ca -0.06 -0.34 -0.00 0.00 -1.37 0.00 0.00 64.86 63.09 3dy5 h ILE 895 Cb 0.51 1.22 0.00 0.00 0.47 0.00 0.00 36.82 39.02 3dy5 h ILE 895 CO 0.10 0.08 -0.01 1.56 -3.07 0.00 0.00 178.15 176.80 3dy5 h GLN 896 N 0.00 -0.02 -0.15 2.19 1.08 -1.49 -3.10 115.11 113.62 3dy5 h GLN 896 Ca -0.00 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 3dy5 h GLN 896 Cb 0.21 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 3dy5 h GLN 896 CO 0.01 -0.02 0.48 0.77 -0.95 0.00 0.00 178.83 179.12 3dy5 h SER 897 N -0.03 0.00 0.26 1.46 0.02 -0.36 0.19 113.55 115.09 3dy5 h SER 897 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3dy5 h SER 897 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3dy5 h SER 897 CO 0.00 0.00 -0.13 -0.25 -1.14 0.00 0.00 176.83 175.32 3dy5 h TRP 898 N 0.00 -0.33 0.00 3.45 7.01 -0.90 -0.52 115.95 124.66 3dy5 h TRP 898 Ca 0.07 -0.01 -0.13 0.00 2.11 0.00 0.00 58.89 60.93 3dy5 h TRP 898 Cb 1.03 0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.18 3dy5 h TRP 898 CO 0.00 -0.05 -0.68 0.97 -2.79 0.00 0.00 178.44 175.90 3dy5 h ILE 899 N -0.59 1.03 -0.03 2.65 6.09 -0.77 -3.24 117.51 122.65 3dy5 h ILE 899 Ca -0.04 -2.47 -0.00 0.00 -1.37 0.00 0.00 64.86 60.98 3dy5 h ILE 899 Cb 0.43 2.49 -0.00 0.00 0.47 0.00 0.00 36.82 40.21 3dy5 h ILE 899 CO 0.06 0.58 0.00 0.22 -3.07 0.00 0.00 178.15 175.95 3dy5 h TYR 900 N 0.00 0.06 -0.47 2.19 3.20 -0.76 -2.57 116.97 118.61 3dy5 h TYR 900 Ca -0.02 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.94 3dy5 h TYR 900 Cb 1.49 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 39.66 3dy5 h TYR 900 CO 0.00 0.32 -0.05 0.22 -1.64 0.00 0.00 178.16 177.01 3dy5 h ASP 901 N -0.22 -0.30 0.11 -2.11 -0.00 -1.12 0.11 116.42 112.90 3dy5 h ASP 901 Ca 0.01 0.12 -0.01 0.00 -0.00 0.00 0.00 57.03 57.15 3dy5 h ASP 901 Cb 0.29 0.24 -0.00 0.00 -0.00 0.00 0.00 39.33 39.86 3dy5 h ASP 901 CO 0.00 -0.11 -0.07 0.58 -0.00 0.00 0.00 179.24 179.65 3dy5 h VAL 902 N 0.06 0.79 0.21 2.25 2.07 -1.57 0.30 116.25 120.36 3dy5 h VAL 902 Ca 0.23 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3dy5 h VAL 902 Cb 0.35 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3dy5 h VAL 902 CO -0.43 0.07 -0.10 -0.74 0.02 0.00 0.00 177.57 176.38 3dy5 h HIS 903 N 0.00 -0.26 0.51 1.57 -0.00 -0.37 0.12 115.15 116.72 3dy5 h HIS 903 Ca -0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 3dy5 h HIS 903 Cb 0.14 0.09 0.01 0.00 -0.00 0.00 0.00 27.41 27.64 3dy5 h HIS 903 CO 0.00 -0.16 -0.25 -0.22 -0.00 0.00 0.00 177.93 177.30 3dy5 h LYS 904 N -0.47 -0.66 0.03 5.26 1.63 -1.34 -3.38 116.57 117.65 3dy5 h LYS 904 Ca -0.03 0.05 -0.33 0.00 -0.85 0.00 0.00 60.65 59.48 3dy5 h LYS 904 Cb 0.22 0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 31.95 3dy5 h LYS 904 CO 0.05 -0.37 -1.98 0.09 -3.45 0.00 0.00 179.45 173.79 3dy5 n ASN 905 N -5.31 1.16 0.00 4.20 5.03 0.91 -4.42 115.26 116.82 3dy5 n ASN 905 Ca -0.11 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.57 3dy5 n ASN 905 Cb 0.32 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 38.95 3dy5 n ASN 905 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dy5 n GLY 906 N 1.77 -1.04 3.24 7.41 0.00 -0.40 -4.31 105.19 111.86 3dy5 n GLY 906 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 3dy5 n GLY 906 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3dy5 s TRP 907 N -1.18 4.07 0.18 1.61 0.51 0.39 -0.92 118.94 123.60 3dy5 s TRP 907 Ca 0.00 -2.77 -0.33 0.00 -2.12 0.00 0.00 56.10 50.88 3dy5 s TRP 907 Cb 0.00 -3.59 -0.13 0.00 -0.81 0.00 0.00 33.47 28.94 3dy5 s TRP 907 CO 0.00 -0.87 1.63 0.54 -0.51 0.00 0.00 176.95 177.74 3dy5 n ARG 908 N 2.68 2.40 -2.95 4.98 1.74 -1.26 -4.88 116.66 119.37 3dy5 n ARG 908 Ca 0.22 0.87 -0.44 0.00 -0.77 0.00 0.00 57.85 57.72 3dy5 n ARG 908 Cb 0.39 -2.66 -0.03 0.00 -1.02 0.00 0.00 32.46 29.13 3dy5 n ARG 908 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dy5 s VAL 909 N 0.99 4.64 0.00 1.55 1.01 -1.26 -5.02 120.40 122.30 3dy5 s VAL 909 Ca 0.77 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3dy5 s VAL 909 Cb -0.61 -4.69 0.00 0.00 0.00 0.00 0.00 36.38 31.08 3dy5 s VAL 909 CO 0.36 -1.42 0.00 0.59 0.00 0.00 0.00 175.10 174.63 3dy5 n ASN 910 N 6.81 0.82 -4.72 3.32 3.02 -1.26 -5.03 115.26 118.21 3dy5 n ASN 910 Ca 0.09 -0.83 -0.31 0.00 -0.03 0.00 0.00 54.58 53.50 3dy5 n ASN 910 Cb 0.47 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.76 3dy5 n ASN 910 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3dy5 s PRO 911 N -1.30 1.69 0.00 3.52 0.04 -1.26 -2.86 135.00 134.83 3dy5 s PRO 911 Ca 0.00 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.43 3dy5 s PRO 911 Cb 0.00 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.72 3dy5 s PRO 911 CO 0.00 -2.10 0.00 0.41 0.04 0.00 0.00 177.00 175.35 3dy5 n GLY 912 N -0.43 1.80 3.85 0.56 0.00 -1.26 -4.98 105.19 104.74 3dy5 n GLY 912 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3dy5 n GLY 912 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dy5 s HIS 913 N -0.83 2.91 0.48 1.61 3.76 -1.14 -4.97 115.29 117.10 3dy5 s HIS 913 Ca 0.00 0.92 0.05 0.00 -0.15 0.00 0.00 55.06 55.88 3dy5 s HIS 913 Cb 0.00 -3.31 -0.01 0.00 1.11 0.00 0.00 32.58 30.37 3dy5 s HIS 913 CO 0.00 -1.79 0.19 -0.65 -0.85 0.00 0.00 174.74 171.65 3dy5 s GLN 914 N -5.38 2.22 0.49 1.40 -0.21 -1.14 -4.96 119.66 112.08 3dy5 s GLN 914 Ca 0.61 -2.06 -0.22 0.00 0.02 0.00 0.00 55.36 53.71 3dy5 s GLN 914 Cb -0.13 -1.88 -0.07 0.00 1.00 0.00 0.00 33.01 31.94 3dy5 s GLN 914 CO 0.52 -0.34 1.18 0.34 -2.12 0.00 0.00 175.29 174.87 3dy5 s ASP 915 N -4.01 5.93 0.00 5.90 2.15 -1.26 -4.91 116.67 120.47 3dy5 s ASP 915 Ca 0.29 2.34 0.14 0.00 0.43 0.00 0.00 52.55 55.75 3dy5 s ASP 915 Cb 0.02 -2.60 0.18 0.00 -0.30 0.00 0.00 42.92 40.21 3dy5 s ASP 915 CO 0.17 -1.09 1.04 1.41 -0.17 0.00 0.00 175.17 176.53 3dy5 n HIS 916 N -0.77 0.13 -2.15 -5.34 8.25 -1.26 -4.57 115.22 109.51 3dy5 n HIS 916 Ca 0.09 -0.11 -0.17 0.00 -0.26 0.00 0.00 57.72 57.27 3dy5 n HIS 916 Cb 0.48 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 3dy5 n HIS 916 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dy5 n GLY 917 N 0.81 0.12 3.59 -1.41 0.00 -1.26 -0.08 105.19 106.96 3dy5 n GLY 917 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3dy5 n GLY 917 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dy5 s VAL 918 N -2.74 4.47 0.32 1.61 1.01 -1.26 -4.41 120.40 119.40 3dy5 s VAL 918 Ca 0.00 1.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.77 3dy5 s VAL 918 Cb 0.00 -4.43 -0.13 0.00 0.00 0.00 0.00 36.38 31.82 3dy5 s VAL 918 CO 0.00 -0.73 1.00 -0.81 0.00 0.00 0.00 175.10 174.56 3dy5 n PRO 919 N 7.12 1.35 0.00 2.72 -0.04 -1.26 -4.81 135.00 140.08 3dy5 n PRO 919 Ca 0.08 0.48 0.16 0.00 -0.04 0.00 0.00 63.50 64.17 3dy5 n PRO 919 Cb 0.48 -1.88 0.90 0.00 -0.04 0.00 0.00 33.50 32.96 3dy5 n PRO 919 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dy5 n ALA 920 N 0.06 2.67 -3.64 0.55 0.00 -1.26 -4.52 120.51 114.36 3dy5 n ALA 920 Ca 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 3dy5 n ALA 920 Cb 0.34 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 3dy5 n ALA 920 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dy5 s SER 921 N -2.05 -0.03 -0.25 0.00 1.04 -1.26 -4.50 113.70 106.64 3dy5 s SER 921 Ca 0.45 0.02 -0.14 0.00 0.48 0.00 0.00 55.95 56.76 3dy5 s SER 921 Cb 0.22 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 3dy5 s SER 921 CO 0.38 -0.04 0.34 -0.36 0.98 0.00 0.00 173.24 174.54 3dy5 s PHE 922 N -1.62 3.28 -0.05 5.02 2.99 -1.26 -4.95 117.98 121.38 3dy5 s PHE 922 Ca 0.10 0.42 0.11 0.00 0.00 0.00 0.00 56.93 57.56 3dy5 s PHE 922 Cb -0.01 -2.51 -0.16 0.00 0.00 0.00 0.00 43.02 40.33 3dy5 s PHE 922 CO -0.05 -0.14 0.25 0.39 -0.00 0.00 0.00 175.22 175.67 3dy5 n GLU 923 N 5.00 0.60 -4.66 0.44 -0.58 -1.26 -4.18 120.64 116.00 3dy5 n GLU 923 Ca -0.09 -0.09 -0.30 0.00 -0.42 0.00 0.00 57.16 56.26 3dy5 n GLU 923 Cb 0.51 -1.23 -0.08 0.00 -0.57 0.00 0.00 31.44 30.06 3dy5 n GLU 923 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3dy5 s SER 924 N -3.14 3.63 0.02 1.62 0.15 -1.26 -4.70 113.70 110.03 3dy5 s SER 924 Ca -0.03 -1.62 0.08 0.00 0.70 0.00 0.00 55.95 55.08 3dy5 s SER 924 Cb 0.07 0.41 -0.23 0.00 -1.71 0.00 0.00 66.02 64.56 3dy5 s SER 924 CO 0.45 -0.83 0.91 0.03 1.20 0.00 0.00 173.24 175.00 3dy5 h ARG 925 N 1.55 0.03 0.00 5.44 3.08 -1.95 -3.25 114.38 119.28 3dy5 h ARG 925 Ca -0.41 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.45 3dy5 h ARG 925 Cb 1.29 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 3dy5 h ARG 925 CO 0.69 0.77 -0.61 0.93 -1.07 0.00 0.00 179.97 180.68 3dy5 h GLU 926 N 0.01 0.00 -0.21 0.04 4.39 -1.97 0.94 114.58 117.78 3dy5 h GLU 926 Ca -0.18 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.53 3dy5 h GLU 926 Cb 1.92 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.56 3dy5 h GLU 926 CO 0.11 0.61 0.11 0.37 -1.16 0.00 0.00 179.01 179.04 3dy5 h GLN 927 N 0.00 0.22 0.58 2.33 4.15 -1.97 -0.63 115.11 119.79 3dy5 h GLN 927 Ca -0.01 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 3dy5 h GLN 927 Cb 1.19 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.83 3dy5 h GLN 927 CO 0.08 0.15 -0.28 1.25 -1.93 0.00 0.00 178.83 178.10 3dy5 h LEU 928 N 0.23 -0.66 -0.54 -2.39 5.85 -1.43 -3.00 115.31 113.37 3dy5 h LEU 928 Ca 0.09 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3dy5 h LEU 928 Cb 0.02 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 3dy5 h LEU 928 CO -0.06 -0.27 -0.31 1.17 -0.34 0.00 0.00 178.44 178.64 3dy5 n LYS 929 N -5.30 -0.23 0.00 1.25 4.81 0.32 -2.43 118.16 116.58 3dy5 n LYS 929 Ca -0.10 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 3dy5 n LYS 929 Cb 0.32 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 34.17 3dy5 n LYS 929 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3dy5 n GLU 930 N -4.68 0.00 -0.29 1.64 2.13 -0.25 -1.92 120.64 117.27 3dy5 n GLU 930 Ca 0.01 0.30 0.08 0.00 0.66 0.00 0.00 57.16 58.21 3dy5 n GLU 930 Cb 0.14 -1.09 0.16 0.00 0.27 0.00 0.00 31.44 30.92 3dy5 n GLU 930 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3dy5 n VAL 931 N -1.03 -0.34 -0.14 6.31 0.31 -1.02 0.61 118.33 123.02 3dy5 n VAL 931 Ca 0.00 1.83 -0.09 0.00 -0.01 0.00 0.00 64.34 66.07 3dy5 n VAL 931 Cb 0.00 -2.58 -0.00 0.00 -0.91 0.00 0.00 33.84 30.35 3dy5 n VAL 931 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3dy5 h LEU 932 N 0.00 0.56 -0.49 7.52 3.38 -1.48 -0.61 115.31 124.20 3dy5 h LEU 932 Ca 0.43 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.30 3dy5 h LEU 932 Cb 0.75 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 3dy5 h LEU 932 CO -0.81 0.54 0.25 0.74 0.09 0.00 0.00 178.44 179.25 3dy5 h THR 933 N 0.54 0.96 0.11 0.22 2.02 0.87 0.38 112.91 118.02 3dy5 h THR 933 Ca 0.14 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.18 3dy5 h THR 933 Cb 0.13 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 3dy5 h THR 933 CO -0.02 0.09 -0.36 0.28 0.37 0.00 0.00 175.52 175.88 3dy5 h SER 934 N 0.48 -1.06 0.15 4.18 0.02 -1.03 -1.84 113.55 114.45 3dy5 h SER 934 Ca 0.21 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3dy5 h SER 934 Cb 0.12 0.40 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 3dy5 h SER 934 CO -0.15 -0.44 -0.16 0.25 -1.14 0.00 0.00 176.83 175.18 3dy5 h LEU 935 N -0.59 -0.46 -1.66 5.07 5.85 0.09 0.30 115.31 123.92 3dy5 h LEU 935 Ca 0.03 0.04 0.24 0.00 0.84 0.00 0.00 57.88 59.03 3dy5 h LEU 935 Cb 0.62 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 3dy5 h LEU 935 CO -0.22 -0.21 0.64 0.58 -0.34 0.00 0.00 178.44 178.89 3dy5 h VAL 936 N -0.32 0.59 -0.02 1.05 2.07 -0.37 0.25 116.25 119.50 3dy5 h VAL 936 Ca -0.02 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3dy5 h VAL 936 Cb 0.28 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3dy5 h VAL 936 CO -0.03 0.05 -0.07 0.15 0.02 0.00 0.00 177.57 177.69 3dy5 h PHE 937 N 0.25 0.10 -0.98 1.57 3.57 -0.83 -1.54 116.94 119.08 3dy5 h PHE 937 Ca 0.49 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 62.04 3dy5 h PHE 937 Cb 1.48 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 40.13 3dy5 h PHE 937 CO -0.00 0.72 0.63 1.15 -2.23 0.00 0.00 178.31 178.57 3dy5 h THR 938 N -0.54 1.01 0.66 4.41 2.02 0.65 0.75 112.91 121.87 3dy5 h THR 938 Ca -0.00 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 3dy5 h THR 938 Cb 0.72 -0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3dy5 h THR 938 CO 0.01 0.19 -0.32 -0.26 0.37 0.00 0.00 175.52 175.52 3dy5 h PHE 939 N 1.06 -0.82 0.00 3.16 0.05 -0.54 -2.80 116.94 117.05 3dy5 h PHE 939 Ca 0.45 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 62.22 3dy5 h PHE 939 Cb 0.32 0.27 0.00 0.00 2.00 0.00 0.00 35.95 38.54 3dy5 h PHE 939 CO -0.00 -0.51 0.00 -1.13 -0.18 0.00 0.00 178.31 176.49 3dy5 n SER 940 N -4.62 0.00 -0.03 2.17 3.41 -0.58 -4.10 113.62 109.87 3dy5 n SER 940 Ca -0.11 0.40 -0.13 0.00 -0.26 0.00 0.00 58.87 58.77 3dy5 n SER 940 Cb 0.35 -0.18 -0.11 0.00 -0.26 0.00 0.00 64.21 64.01 3dy5 n SER 940 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dy5 h GLN 942 N -0.66 -0.30 -0.49 0.00 5.75 -1.36 0.41 115.11 118.46 3dy5 h GLN 942 Ca -0.00 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.62 3dy5 h GLN 942 Cb 0.65 0.07 -0.10 0.00 1.07 0.00 0.00 27.48 29.16 3dy5 h GLN 942 CO 0.00 -0.20 -0.19 1.25 -2.65 0.00 0.00 178.83 177.04 3dy5 h HIS 943 N -0.31 -0.46 -0.84 3.99 2.76 -1.61 0.20 115.15 118.88 3dy5 h HIS 943 Ca -0.00 0.05 0.22 0.00 -2.20 0.00 0.00 60.37 58.44 3dy5 h HIS 943 Cb 0.32 0.28 -0.05 0.00 1.55 0.00 0.00 27.41 29.51 3dy5 h HIS 943 CO -0.39 -0.28 0.59 0.00 -1.30 0.00 0.00 177.93 176.55 3dy5 h ALA 944 N 1.31 2.55 -0.53 5.26 0.00 -0.61 0.02 119.26 127.26 3dy5 h ALA 944 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3dy5 h ALA 944 Cb 0.44 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dy5 h ALA 944 CO -0.55 -0.80 0.00 0.00 0.00 0.00 0.00 179.25 177.90 3dy5 n ALA 945 N -2.63 2.28 -0.40 0.00 0.00 0.14 -3.18 120.51 116.72 3dy5 n ALA 945 Ca 0.17 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.40 3dy5 n ALA 945 Cb 0.81 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3dy5 n ALA 945 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dy5 n VAL 946 N 1.10 0.00 -0.05 0.00 0.31 -0.87 -4.61 118.33 114.21 3dy5 n VAL 946 Ca 0.18 -0.13 -0.09 0.00 -0.01 0.00 0.00 64.34 64.29 3dy5 n VAL 946 Cb 0.53 1.40 -0.04 0.00 -0.91 0.00 0.00 33.84 34.81 3dy5 n VAL 946 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3dy5 n ASN 947 N -0.12 1.64 -0.36 4.52 2.85 -0.06 -4.67 115.26 119.06 3dy5 n ASN 947 Ca 0.00 0.06 0.14 0.00 -0.11 0.00 0.00 54.58 54.67 3dy5 n ASN 947 Cb 0.10 -0.25 0.55 0.00 1.24 0.00 0.00 39.78 41.43 3dy5 n ASN 947 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3dy5 n PHE 948 N -3.21 0.00 0.38 1.20 3.01 -1.19 -3.59 117.46 114.05 3dy5 n PHE 948 Ca -0.19 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.26 3dy5 n PHE 948 Cb 0.66 -0.04 0.10 0.00 -0.01 0.00 0.00 39.48 40.19 3dy5 n PHE 948 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3dy5 n SER 949 N -0.19 2.73 -0.03 4.37 3.41 -1.26 -4.07 113.62 118.59 3dy5 n SER 949 Ca 0.18 -2.36 0.06 0.00 -0.26 0.00 0.00 58.87 56.49 3dy5 n SER 949 Cb 0.32 -0.57 -0.06 0.00 -0.26 0.00 0.00 64.21 63.64 3dy5 n SER 949 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dy5 n GLN 950 N 0.13 3.01 -1.32 4.33 6.02 -1.24 -4.76 117.38 123.55 3dy5 n GLN 950 Ca 0.12 -0.07 -0.43 0.00 -0.01 0.00 0.00 57.00 56.61 3dy5 n GLN 950 Cb 0.65 -1.06 -0.04 0.00 1.02 0.00 0.00 30.24 30.81 3dy5 n GLN 950 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dy5 n LYS 951 N -1.17 1.86 0.00 -1.09 5.02 -1.26 -5.04 118.16 116.49 3dy5 n LYS 951 Ca 0.03 -2.06 0.00 0.00 -2.02 0.00 0.00 58.31 54.26 3dy5 n LYS 951 Cb 0.19 -3.03 0.00 0.00 -0.02 0.00 0.00 35.03 32.17 3dy5 n LYS 951 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dy5 n ASN 959 N 7.24 0.00 -3.22 4.39 2.85 -1.26 -5.20 115.26 120.06 3dy5 n ASN 959 Ca 0.50 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.71 3dy5 n ASN 959 Cb 0.40 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.36 3dy5 n ASN 959 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3dy5 n ALA 960 N 0.00 4.14 -1.61 5.20 0.00 -1.26 -4.58 120.51 122.39 3dy5 n ALA 960 Ca 0.00 -4.63 -0.34 0.00 0.00 0.00 0.00 53.44 48.47 3dy5 n ALA 960 Cb 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 19.45 18.65 3dy5 n ALA 960 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3dy5 s PRO 961 N -2.78 3.00 -0.20 0.00 0.02 -1.26 -4.85 135.00 128.93 3dy5 s PRO 961 Ca 0.43 1.49 -0.07 0.00 0.02 0.00 0.00 61.00 62.87 3dy5 s PRO 961 Cb 0.21 -1.97 -0.20 0.00 0.02 0.00 0.00 34.50 32.55 3dy5 s PRO 961 CO -0.07 -1.11 0.05 0.00 -0.33 0.00 0.00 177.00 175.55 3dy5 n ALA 962 N -2.00 1.10 -2.99 -1.55 0.00 -1.26 -3.72 120.51 110.09 3dy5 n ALA 962 Ca 0.11 -0.82 -0.28 0.00 0.00 0.00 0.00 53.44 52.45 3dy5 n ALA 962 Cb 0.52 -0.37 -0.16 0.00 0.00 0.00 0.00 19.45 19.44 3dy5 n ALA 962 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3dy5 s ILE 963 N -2.51 1.62 -0.08 0.00 1.01 -1.26 -2.57 121.20 117.40 3dy5 s ILE 963 Ca -0.30 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.57 3dy5 s ILE 963 Cb 0.08 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 3dy5 s ILE 963 CO 0.65 0.46 -0.12 -0.76 0.00 0.00 0.00 174.94 175.17 3dy5 s LEU 964 N 0.13 2.83 -0.05 2.97 1.43 -1.25 -3.68 118.68 121.05 3dy5 s LEU 964 Ca -0.08 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 3dy5 s LEU 964 Cb -0.14 -1.60 -0.13 0.00 0.03 0.00 0.00 46.19 44.35 3dy5 s LEU 964 CO 0.04 0.29 0.77 0.03 0.23 0.00 0.00 176.35 177.70 3dy5 h ARG 965 N 5.78 -0.27 0.00 1.70 3.08 -0.26 -1.92 114.38 122.50 3dy5 h ARG 965 Ca -0.40 0.02 -0.48 0.00 0.07 0.00 0.00 59.98 59.19 3dy5 h ARG 965 Cb 1.17 0.06 0.07 0.00 0.08 0.00 0.00 29.97 31.35 3dy5 h ARG 965 CO 0.53 0.09 0.06 0.72 -1.07 0.00 0.00 179.97 180.30 3dy5 n HIS 966 N -4.96 -2.73 -2.46 3.04 8.25 -1.25 -4.61 115.22 110.50 3dy5 n HIS 966 Ca -0.07 -1.90 -0.23 0.00 -0.26 0.00 0.00 57.72 55.26 3dy5 n HIS 966 Cb 0.24 -0.68 0.06 0.00 1.12 0.00 0.00 29.99 30.73 3dy5 n HIS 966 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3dy5 s PRO 967 N -5.00 2.23 0.55 -0.41 0.04 -1.26 -4.70 135.00 126.45 3dy5 s PRO 967 Ca 0.66 -0.64 -0.20 0.00 0.04 0.00 0.00 61.00 60.85 3dy5 s PRO 967 Cb -0.04 -2.33 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 3dy5 s PRO 967 CO 0.43 -1.06 1.22 -2.14 0.04 0.00 0.00 177.00 175.49 3dy5 s PRO 968 N -5.02 3.22 0.17 0.56 0.02 -1.26 -4.97 135.00 127.72 3dy5 s PRO 968 Ca 0.60 1.89 -0.30 0.00 0.02 0.00 0.00 61.00 63.21 3dy5 s PRO 968 Cb -0.09 -2.12 -0.08 0.00 0.02 0.00 0.00 34.50 32.23 3dy5 s PRO 968 CO 0.42 -1.02 1.26 -2.14 -0.33 0.00 0.00 177.00 175.19 3dy5 s PRO 969 N -3.08 4.43 0.28 5.54 0.02 -1.26 -4.96 135.00 135.96 3dy5 s PRO 969 Ca 0.73 1.96 0.23 0.00 0.02 0.00 0.00 61.00 63.94 3dy5 s PRO 969 Cb -0.32 -3.23 0.30 0.00 0.02 0.00 0.00 34.50 31.27 3dy5 s PRO 969 CO 0.36 -0.20 1.41 0.87 -0.33 0.00 0.00 177.00 179.10 3dy5 h LYS 970 N 5.56 0.00 -6.51 5.54 1.57 -1.94 -3.46 116.57 117.33 3dy5 h LYS 970 Ca -0.44 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.65 3dy5 h LYS 970 Cb 1.21 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.31 3dy5 h LYS 970 CO 0.77 0.00 -0.79 0.15 -0.57 0.00 0.00 179.45 179.01 3dy5 s LYS 971 N -3.24 2.18 -1.51 3.15 1.02 -1.26 -4.31 119.74 115.77 3dy5 s LYS 971 Ca 0.05 -0.92 -0.12 0.00 0.02 0.00 0.00 55.97 55.00 3dy5 s LYS 971 Cb 0.09 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 3dy5 s LYS 971 CO 0.71 0.56 2.46 1.17 -0.92 0.00 0.00 175.35 179.32 3dy5 n LYS 972 N 1.64 3.17 0.00 1.68 4.81 -1.26 -3.84 118.16 124.36 3dy5 n LYS 972 Ca -0.16 -2.51 0.00 0.00 -0.87 0.00 0.00 58.31 54.77 3dy5 n LYS 972 Cb 0.52 -3.11 0.00 0.00 0.02 0.00 0.00 35.03 32.46 3dy5 n LYS 972 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dy5 n GLY 973 N 3.86 -0.02 0.45 3.14 0.00 -1.26 -5.00 105.19 106.36 3dy5 n GLY 973 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.63 3dy5 n GLY 973 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dy5 n GLU 974 N 0.00 0.00 -1.60 1.61 -0.58 -1.25 -5.08 120.64 113.74 3dy5 n GLU 974 Ca 0.00 0.00 -0.62 0.00 -0.42 0.00 0.00 57.16 56.12 3dy5 n GLU 974 Cb 0.00 -0.10 -0.09 0.00 -0.57 0.00 0.00 31.44 30.69 3dy5 n GLU 974 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dy5 n ALA 975 N -2.02 -2.13 -2.49 0.62 0.00 -1.26 -5.01 120.51 108.22 3dy5 n ALA 975 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3dy5 n ALA 975 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3dy5 n ALA 975 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dy5 n THR 976 N 2.98 0.00 0.05 0.00 -2.24 -1.26 -4.49 114.28 109.32 3dy5 n THR 976 Ca 0.26 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.86 3dy5 n THR 976 Cb -0.01 -0.10 -0.08 0.00 -2.10 0.00 0.00 70.33 68.04 3dy5 n THR 976 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3dy5 h LEU 977 N 0.00 0.79 -0.21 3.22 5.85 -2.00 -3.26 115.31 119.70 3dy5 h LEU 977 Ca 0.00 -0.62 0.03 0.00 0.84 0.00 0.00 57.88 58.12 3dy5 h LEU 977 Cb 0.00 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3dy5 h LEU 977 CO 0.00 1.42 0.05 -0.61 -0.34 0.00 0.00 178.44 178.96 3dy5 h GLN 978 N 0.35 0.14 0.00 1.25 4.15 -2.00 -3.05 115.11 115.95 3dy5 h GLN 978 Ca -0.11 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.30 3dy5 h GLN 978 Cb 1.64 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.29 3dy5 h GLN 978 CO 0.19 0.09 0.00 -1.13 -1.93 0.00 0.00 178.83 176.05 3dy5 n SER 979 N -5.07 0.00 -0.37 -0.69 3.41 -1.24 -0.21 113.62 109.45 3dy5 n SER 979 Ca -0.02 0.98 -0.05 0.00 -0.26 0.00 0.00 58.87 59.53 3dy5 n SER 979 Cb 0.09 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.54 3dy5 n SER 979 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3dy5 n ILE 980 N -2.40 -0.54 0.50 -1.33 5.41 -1.23 0.24 119.36 120.01 3dy5 n ILE 980 Ca 0.00 2.18 -0.20 0.00 1.00 0.00 0.00 62.75 65.73 3dy5 n ILE 980 Cb 0.00 -2.80 -0.09 0.00 -0.71 0.00 0.00 39.64 36.04 3dy5 n ILE 980 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3dy5 h LEU 981 N 0.00 -1.09 0.00 1.39 4.07 -1.41 -0.10 115.31 118.18 3dy5 h LEU 981 Ca 0.25 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.25 3dy5 h LEU 981 Cb 0.48 0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.50 3dy5 h LEU 981 CO -0.89 -0.76 0.00 -1.20 -1.08 0.00 0.00 178.44 174.51 3dy5 n SER 982 N -5.55 0.00 -0.03 -0.43 7.64 0.71 -1.55 113.62 114.41 3dy5 n SER 982 Ca -0.16 -0.58 -0.01 0.00 1.01 0.00 0.00 58.87 59.13 3dy5 n SER 982 Cb 0.51 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.63 3dy5 n SER 982 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3dy5 n THR 983 N -0.67 0.39 -2.31 0.44 -1.04 0.14 -4.45 114.28 106.77 3dy5 n THR 983 Ca 0.03 -0.32 -0.25 0.00 -2.04 0.00 0.00 64.05 61.47 3dy5 n THR 983 Cb 0.01 -0.39 0.07 0.00 -1.82 0.00 0.00 70.33 68.21 3dy5 n THR 983 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3dy5 s LEU 984 N -4.30 2.92 0.45 -4.42 1.43 -0.10 0.44 118.68 115.10 3dy5 s LEU 984 Ca -0.04 0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 53.08 3dy5 s LEU 984 Cb 0.04 -2.90 -0.08 0.00 0.03 0.00 0.00 46.19 43.28 3dy5 s LEU 984 CO 0.38 -1.60 1.39 -2.84 0.23 0.00 0.00 176.35 173.91 3dy5 s PRO 985 N -5.18 3.71 0.79 1.29 0.02 -1.24 -4.57 135.00 129.82 3dy5 s PRO 985 Ca 0.61 2.34 -0.14 0.00 0.02 0.00 0.00 61.00 63.82 3dy5 s PRO 985 Cb -0.10 -2.64 0.04 0.00 0.02 0.00 0.00 34.50 31.82 3dy5 s PRO 985 CO 0.44 -0.77 0.93 0.45 -0.33 0.00 0.00 177.00 177.72 3dy5 n SER 986 N -0.19 0.13 -0.16 2.53 2.88 -1.26 -4.60 113.62 112.95 3dy5 n SER 986 Ca 0.05 0.57 0.29 0.00 -1.33 0.00 0.00 58.87 58.45 3dy5 n SER 986 Cb 0.43 -1.40 0.71 0.00 -0.75 0.00 0.00 64.21 63.20 3dy5 n SER 986 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3dy5 h LYS 987 N -0.75 0.00 0.01 -1.46 3.64 -1.99 0.20 116.57 116.22 3dy5 h LYS 987 Ca -0.46 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.70 3dy5 h LYS 987 Cb 1.31 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 3dy5 h LYS 987 CO 0.44 0.00 -1.17 0.66 -2.27 0.00 0.00 179.45 177.11 3dy5 h SER 988 N 0.00 0.05 -1.16 4.20 4.64 -1.99 -3.05 113.55 116.25 3dy5 h SER 988 Ca 0.42 -0.61 0.33 0.00 -0.47 0.00 0.00 61.79 61.45 3dy5 h SER 988 Cb 1.86 -0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 63.86 3dy5 h SER 988 CO -0.00 1.46 0.79 -0.61 -0.87 0.00 0.00 176.83 177.60 3dy5 h GLN 989 N -0.89 0.17 0.30 4.77 4.15 -1.41 0.76 115.11 122.95 3dy5 h GLN 989 Ca -0.31 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.08 3dy5 h GLN 989 Cb 1.34 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.00 3dy5 h GLN 989 CO -0.15 0.11 -0.14 0.00 -1.93 0.00 0.00 178.83 176.72 3dy5 h ALA 990 N 1.51 -0.40 -0.90 3.38 0.00 -0.83 -3.20 119.26 118.82 3dy5 h ALA 990 Ca 0.61 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 55.56 3dy5 h ALA 990 Cb 2.01 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 19.84 3dy5 h ALA 990 CO -0.17 -0.41 0.44 0.00 0.00 0.00 0.00 179.25 179.11 3dy5 h ALA 991 N -0.82 1.42 -0.97 0.00 0.00 -0.70 0.28 119.26 118.47 3dy5 h ALA 991 Ca -0.04 0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.15 3dy5 h ALA 991 Cb 0.44 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.19 3dy5 h ALA 991 CO 0.07 -0.22 0.59 0.87 0.00 0.00 0.00 179.25 180.56 3dy5 h LYS 992 N 0.53 0.80 -0.16 0.00 1.57 0.29 0.40 116.57 120.00 3dy5 h LYS 992 Ca 0.53 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 59.09 3dy5 h LYS 992 Cb 0.91 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 33.04 3dy5 h LYS 992 CO -0.45 0.53 -0.58 0.00 -0.57 0.00 0.00 179.45 178.38 3dy5 h ALA 993 N 1.59 0.28 -0.52 3.86 0.00 -0.49 -2.95 119.26 121.03 3dy5 h ALA 993 Ca 0.53 -0.53 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3dy5 h ALA 993 Cb 0.70 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 3dy5 h ALA 993 CO -0.34 0.52 0.14 0.82 0.00 0.00 0.00 179.25 180.39 3dy5 h ILE 994 N 0.35 0.75 -0.22 0.00 2.04 -0.42 -0.78 117.51 119.24 3dy5 h ILE 994 Ca -0.03 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.79 3dy5 h ILE 994 Cb 1.20 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 3dy5 h ILE 994 CO 0.12 0.05 -0.25 0.00 0.00 0.00 0.00 178.15 178.08 3dy5 h ALA 995 N 1.38 -0.16 -0.05 1.87 0.00 -0.96 -0.88 119.26 120.47 3dy5 h ALA 995 Ca 0.26 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.28 3dy5 h ALA 995 Cb 0.33 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3dy5 h ALA 995 CO -0.31 -0.68 -0.34 1.15 0.00 0.00 0.00 179.25 179.07 3dy5 h THR 996 N -0.27 0.27 -0.63 0.00 2.02 -1.22 -1.82 112.91 111.27 3dy5 h THR 996 Ca 0.13 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.40 3dy5 h THR 996 Cb 0.47 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 3dy5 h THR 996 CO -0.37 0.00 0.42 0.58 0.37 0.00 0.00 175.52 176.51 3dy5 h VAL 997 N -0.46 0.93 -0.06 3.16 2.07 -0.81 0.26 116.25 121.34 3dy5 h VAL 997 Ca 0.07 -0.17 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 3dy5 h VAL 997 Cb 0.57 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3dy5 h VAL 997 CO -0.31 0.09 -0.64 0.22 0.02 0.00 0.00 177.57 176.96 3dy5 h TYR 998 N 0.50 0.29 0.21 1.57 3.20 -0.65 -2.85 116.97 119.24 3dy5 h TYR 998 Ca 0.29 -0.12 -0.32 0.00 3.14 0.00 0.00 58.73 61.71 3dy5 h TYR 998 Cb 0.46 -0.05 0.03 0.00 1.54 0.00 0.00 36.73 38.72 3dy5 h TYR 998 CO -0.00 0.80 -1.40 0.82 -1.64 0.00 0.00 178.16 176.74 3dy5 h ILE 999 N 0.16 1.30 0.00 1.81 2.04 -0.37 -3.16 117.51 119.28 3dy5 h ILE 999 Ca -0.01 -2.66 -0.00 0.00 1.00 0.00 0.00 64.86 63.18 3dy5 h ILE 999 Cb 1.16 2.94 -0.00 0.00 -0.74 0.00 0.00 36.82 40.18 3dy5 h ILE 999 CO 0.10 0.80 -0.02 -0.07 0.00 0.00 0.00 178.15 178.96 3dy5 h LEU 1000N 0.18 0.00 -3.18 1.44 3.38 -1.08 -3.30 115.31 112.75 3dy5 h LEU 1000Ca -0.23 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 3dy5 h LEU 1000Cb 2.09 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.77 3dy5 h LEU 1000CO 0.26 0.02 -0.39 0.35 0.09 0.00 0.00 178.44 178.77 3dy5 n THR 1001N -3.14 2.36 -3.69 0.22 -2.24 -1.08 -4.86 114.28 101.85 3dy5 n THR 1001Ca -0.00 -3.19 -0.39 0.00 -2.27 0.00 0.00 64.05 58.20 3dy5 n THR 1001Cb 0.27 -0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 68.03 3dy5 n THR 1001CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3dy5 s LYS 1002N -3.28 2.58 0.73 -0.78 2.47 -1.20 -4.99 119.74 115.27 3dy5 s LYS 1002Ca 0.41 -1.31 -0.13 0.00 -1.56 0.00 0.00 55.97 53.38 3dy5 s LYS 1002Cb 0.39 -3.60 0.03 0.00 -1.46 0.00 0.00 37.83 33.19 3dy5 s LYS 1002CO -0.04 -0.80 1.11 -0.06 0.16 0.00 0.00 175.35 175.73 3dy5 s PHE 1003N 1.40 2.49 0.40 4.03 0.40 -1.26 -4.94 117.98 120.50 3dy5 s PHE 1003Ca 0.01 1.57 0.07 0.00 -0.60 0.00 0.00 56.93 57.98 3dy5 s PHE 1003Cb -0.21 -3.16 0.00 0.00 0.51 0.00 0.00 43.02 40.17 3dy5 s PHE 1003CO 0.02 -1.88 0.55 -1.54 0.70 0.00 0.00 175.22 173.07 3dy5 s SER 1004N -2.86 5.75 0.16 1.36 1.04 -1.26 -5.03 113.70 112.86 3dy5 s SER 1004Ca 0.65 -0.33 -0.14 0.00 0.48 0.00 0.00 55.95 56.62 3dy5 s SER 1004Cb -0.20 -0.85 0.04 0.00 0.10 0.00 0.00 66.02 65.11 3dy5 s SER 1004CO 0.49 -0.67 1.73 -0.08 0.98 0.00 0.00 173.24 175.68 3dy5 h GLU 1005N 0.70 0.73 -0.59 4.02 4.81 -1.98 -2.96 114.58 119.30 3dy5 h GLU 1005Ca -0.42 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3dy5 h GLU 1005Cb 1.27 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3dy5 h GLU 1005CO 0.48 0.62 0.00 -0.40 -0.73 0.00 0.00 179.01 178.97 3dy5 n ASP 1006N -4.59 1.88 -4.67 1.04 5.75 -1.26 -4.92 116.55 109.78 3dy5 n ASP 1006Ca 0.02 -2.16 -0.42 0.00 -0.01 0.00 0.00 54.79 52.22 3dy5 n ASP 1006Cb 0.13 -0.38 -0.03 0.00 -1.03 0.00 0.00 41.12 39.81 3dy5 n ASP 1006CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3dy5 s GLU 1007N -1.61 4.16 -0.48 0.11 2.56 -1.12 -4.96 118.70 117.36 3dy5 s GLU 1007Ca 0.16 2.49 -0.17 0.00 0.00 0.00 0.00 54.97 57.44 3dy5 s GLU 1007Cb 0.10 -3.93 0.06 0.00 2.00 0.00 0.00 34.13 32.36 3dy5 s GLU 1007CO 0.07 -0.88 0.51 1.03 -0.56 0.00 0.00 175.26 175.43 3dy5 s ARG 1008N 3.76 3.06 0.70 4.30 0.52 -1.26 -5.00 118.95 125.03 3dy5 s ARG 1008Ca 0.82 -1.05 -0.11 0.00 -0.52 0.00 0.00 55.73 54.87 3dy5 s ARG 1008Cb -0.41 -4.09 0.01 0.00 0.52 0.00 0.00 34.95 30.98 3dy5 s ARG 1008CO 0.37 -1.09 1.07 0.71 0.02 0.00 0.00 175.30 176.38 3dy5 s TYR 1009N 2.17 3.28 0.31 -0.53 1.51 -1.26 -1.72 117.35 121.12 3dy5 s TYR 1009Ca 0.10 1.20 -0.28 0.00 -1.01 0.00 0.00 57.07 57.09 3dy5 s TYR 1009Cb -0.21 -2.95 -0.13 0.00 -0.11 0.00 0.00 41.96 38.56 3dy5 s TYR 1009CO 0.10 -1.16 1.06 -0.11 -1.11 0.00 0.00 175.55 174.33 3dy5 n LEU 1010N -3.04 2.22 0.00 -1.29 7.94 0.32 -2.22 117.00 120.93 3dy5 n LEU 1010Ca 0.07 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 3dy5 n LEU 1010Cb 0.55 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.17 3dy5 n LEU 1010CO 0.57 -1.22 0.00 0.61 -1.11 0.00 0.00 177.39 176.24 3dy5 n GLY 1011N 1.12 2.74 3.33 -3.96 0.00 -1.26 -4.81 105.19 102.35 3dy5 n GLY 1011Ca 0.08 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 3dy5 n GLY 1011CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dy5 n ASN 1012N 2.18 -1.58 -1.37 1.61 2.85 -0.94 -4.68 115.26 113.33 3dy5 n ASN 1012Ca 0.00 -0.87 -0.01 0.00 -0.11 0.00 0.00 54.58 53.59 3dy5 n ASN 1012Cb 0.00 -0.58 0.25 0.00 1.24 0.00 0.00 39.78 40.69 3dy5 n ASN 1012CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 3dy5 n TYR 1013N 5.50 1.55 0.27 1.20 4.01 -1.26 -4.64 117.16 123.78 3dy5 n TYR 1013Ca 0.45 -1.23 0.12 0.00 -0.16 0.00 0.00 57.90 57.08 3dy5 n TYR 1013Cb 0.27 -0.51 0.76 0.00 -0.31 0.00 0.00 39.34 39.55 3dy5 n TYR 1013CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3dy5 h SER 1014N 1.80 0.00 -1.60 7.72 4.64 -1.99 -2.76 113.55 121.36 3dy5 h SER 1014Ca 0.17 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.79 3dy5 h SER 1014Cb 1.85 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.62 3dy5 h SER 1014CO 0.47 0.07 0.57 0.00 -0.87 0.00 0.00 176.83 177.06 3dy5 n ALA 1015N -2.37 6.12 -2.49 5.18 0.00 -1.26 -4.99 120.51 120.69 3dy5 n ALA 1015Ca -0.03 -3.99 -0.24 0.00 0.00 0.00 0.00 53.44 49.18 3dy5 n ALA 1015Cb 0.15 -1.57 -0.10 0.00 0.00 0.00 0.00 19.45 17.94 3dy5 n ALA 1015CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3dy5 s THR 1016N -5.07 2.54 -0.40 0.00 2.01 -1.04 -4.98 115.64 108.69 3dy5 s THR 1016Ca 0.54 -2.34 0.04 0.00 0.31 0.00 0.00 61.69 60.25 3dy5 s THR 1016Cb 0.45 -2.40 0.39 0.00 0.01 0.00 0.00 72.50 70.95 3dy5 s THR 1016CO -0.25 -0.37 1.34 0.00 -0.69 0.00 0.00 174.62 174.64 3dy5 n ALA 1017N -0.67 3.74 -2.39 7.40 0.00 -1.26 -4.89 120.51 122.43 3dy5 n ALA 1017Ca -0.05 -1.30 -0.43 0.00 0.00 0.00 0.00 53.44 51.66 3dy5 n ALA 1017Cb 0.60 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 3dy5 n ALA 1017CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3dy5 s TRP 1018N -1.83 2.75 -0.05 0.00 0.52 -1.26 -4.81 118.94 114.26 3dy5 s TRP 1018Ca 0.30 0.93 0.05 0.00 0.02 0.00 0.00 56.10 57.39 3dy5 s TRP 1018Cb 0.24 -3.61 -0.07 0.00 -1.15 0.00 0.00 33.47 28.88 3dy5 s TRP 1018CO 0.07 -1.85 0.02 0.39 0.02 0.00 0.00 176.95 175.60 3dy5 n GLU 1019N 6.79 3.03 -2.22 4.98 -0.58 -1.26 -4.94 120.64 126.43 3dy5 n GLU 1019Ca 0.14 -0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.45 3dy5 n GLU 1019Cb 0.45 -1.14 -0.02 0.00 -0.57 0.00 0.00 31.44 30.16 3dy5 n GLU 1019CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3dy5 s ASP 1020N -3.63 6.51 0.06 1.62 -1.08 -1.26 -4.92 116.67 113.97 3dy5 s ASP 1020Ca -0.03 1.51 -0.12 0.00 -0.52 0.00 0.00 52.55 53.39 3dy5 s ASP 1020Cb 0.02 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.91 3dy5 s ASP 1020CO 0.22 -1.17 0.77 1.17 0.52 0.00 0.00 175.17 176.69 3dy5 n LYS 1021N 7.48 -0.17 -0.34 4.34 4.81 -1.26 -1.71 118.16 131.30 3dy5 n LYS 1021Ca 0.17 0.76 -0.03 0.00 -0.87 0.00 0.00 58.31 58.35 3dy5 n LYS 1021Cb 0.46 -1.13 0.10 0.00 0.02 0.00 0.00 35.03 34.48 3dy5 n LYS 1021CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3dy5 h ASP 1022N 0.00 1.06 0.78 3.14 3.45 -1.99 -1.96 116.42 120.90 3dy5 h ASP 1022Ca 0.06 -0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.46 3dy5 h ASP 1022Cb 0.16 -0.26 0.01 0.00 -0.56 0.00 0.00 39.33 38.68 3dy5 h ASP 1022CO -0.37 0.77 -0.38 0.00 -1.57 0.00 0.00 179.24 177.69 3dy5 h ALA 1023N 1.34 -1.05 -1.08 3.45 0.00 -1.73 -1.28 119.26 118.91 3dy5 h ALA 1023Ca 0.34 -0.23 0.39 0.00 0.00 0.00 0.00 54.91 55.40 3dy5 h ALA 1023Cb -0.14 0.41 -0.16 0.00 0.00 0.00 0.00 17.79 17.90 3dy5 h ALA 1023CO -0.07 -1.07 0.63 1.25 0.00 0.00 0.00 179.25 179.98 3dy5 h LEU 1024N -1.10 0.38 -0.67 0.00 7.12 -1.28 0.80 115.31 120.56 3dy5 h LEU 1024Ca -0.11 0.20 -0.12 0.00 0.13 0.00 0.00 57.88 57.98 3dy5 h LEU 1024Cb 0.81 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 41.12 3dy5 h LEU 1024CO 0.18 -0.26 -0.27 0.44 -0.13 0.00 0.00 178.44 178.39 3dy5 h ASP 1025N 0.15 0.76 -0.05 1.25 3.32 -0.50 -3.01 116.42 118.33 3dy5 h ASP 1025Ca 0.80 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.55 3dy5 h ASP 1025Cb 2.11 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 41.44 3dy5 h ASP 1025CO -0.62 0.99 0.02 0.00 -1.72 0.00 0.00 179.24 177.92 3dy5 h ALA 1026N 1.06 0.06 -1.06 3.45 0.00 0.17 -1.92 119.26 121.02 3dy5 h ALA 1026Ca 0.08 -0.08 0.28 0.00 0.00 0.00 0.00 54.91 55.20 3dy5 h ALA 1026Cb 0.79 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 3dy5 h ALA 1026CO 0.06 -0.36 0.66 0.82 0.00 0.00 0.00 179.25 180.43 3dy5 h ILE 1027N -0.06 0.46 0.60 0.00 2.04 -1.29 0.88 117.51 120.14 3dy5 h ILE 1027Ca 0.02 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3dy5 h ILE 1027Cb 0.14 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 3dy5 h ILE 1027CO -0.00 0.07 -0.45 -1.13 0.00 0.00 0.00 178.15 176.64 3dy5 h ASN 1028N 0.41 -1.18 -0.38 1.72 -1.24 -1.22 0.36 115.58 114.05 3dy5 h ASN 1028Ca 0.65 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.74 3dy5 h ASN 1028Cb 1.56 0.37 -0.02 0.00 0.73 0.00 0.00 38.32 40.96 3dy5 h ASN 1028CO -0.39 -0.65 0.24 0.03 -1.29 0.00 0.00 177.43 175.37 3dy5 h ARG 1029N -1.01 0.50 -0.56 6.67 2.47 -0.69 0.30 114.38 122.05 3dy5 h ARG 1029Ca -0.07 -0.03 0.11 0.00 -1.26 0.00 0.00 59.98 58.72 3dy5 h ARG 1029Cb 0.85 -0.11 -0.09 0.00 -1.65 0.00 0.00 29.97 28.97 3dy5 h ARG 1029CO 0.02 0.34 0.05 0.35 0.56 0.00 0.00 179.97 181.29 3dy5 h PHE 1030N 0.51 0.06 -0.03 3.04 3.57 -1.08 1.22 116.94 124.21 3dy5 h PHE 1030Ca 0.14 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.69 3dy5 h PHE 1030Cb -0.04 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3dy5 h PHE 1030CO -0.05 -0.09 -0.39 0.37 -2.23 0.00 0.00 178.31 175.92 3dy5 h GLN 1031N 0.17 -0.45 -0.86 1.11 5.75 0.69 -0.88 115.11 120.65 3dy5 h GLN 1031Ca 0.29 0.03 0.22 0.00 -0.15 0.00 0.00 58.65 59.05 3dy5 h GLN 1031Cb 0.45 0.10 -0.14 0.00 1.07 0.00 0.00 27.48 28.96 3dy5 h GLN 1031CO -0.44 -0.30 0.23 -0.44 -2.65 0.00 0.00 178.83 175.23 3dy5 h ASP 1032N -0.46 0.00 0.52 -0.69 3.32 0.23 -0.21 116.42 119.13 3dy5 h ASP 1032Ca 0.01 0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 3dy5 h ASP 1032Cb 0.51 0.26 0.01 0.00 0.22 0.00 0.00 39.33 40.32 3dy5 h ASP 1032CO -0.28 -0.14 -0.25 0.50 -1.72 0.00 0.00 179.24 177.36 3dy5 h LYS 1033N 0.22 -0.68 -1.42 3.56 1.63 0.17 -2.54 116.57 117.51 3dy5 h LYS 1033Ca 0.53 0.05 0.45 0.00 -0.85 0.00 0.00 60.65 60.82 3dy5 h LYS 1033Cb 1.05 0.15 -0.11 0.00 -0.60 0.00 0.00 32.23 32.72 3dy5 h LYS 1033CO -0.63 -0.45 0.95 -0.07 -3.45 0.00 0.00 179.45 175.80 3dy5 h LEU 1034N -0.83 0.19 -0.10 5.20 3.38 -0.51 0.19 115.31 122.83 3dy5 h LEU 1034Ca -0.07 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3dy5 h LEU 1034Cb 0.54 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3dy5 h LEU 1034CO 0.12 -0.12 0.04 -0.08 0.09 0.00 0.00 178.44 178.48 3dy5 h GLU 1035N 0.08 0.15 0.72 1.13 4.57 -0.65 0.37 114.58 120.94 3dy5 h GLU 1035Ca 0.81 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.93 3dy5 h GLU 1035Cb 2.73 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 31.30 3dy5 h GLU 1035CO -0.31 0.26 -0.35 0.22 -1.18 0.00 0.00 179.01 177.65 3dy5 h ASP 1036N 0.01 -0.82 -0.99 1.04 3.58 -0.34 -2.18 116.42 116.71 3dy5 h ASP 1036Ca 0.03 0.01 0.30 0.00 0.42 0.00 0.00 57.03 57.80 3dy5 h ASP 1036Cb 0.16 0.21 -0.18 0.00 1.72 0.00 0.00 39.33 41.24 3dy5 h ASP 1036CO -0.00 -0.55 0.14 0.40 -2.88 0.00 0.00 179.24 176.35 3dy5 h ILE 1037N -1.04 0.02 0.35 2.25 2.04 -1.36 0.35 117.51 120.12 3dy5 h ILE 1037Ca -0.10 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3dy5 h ILE 1037Cb 0.76 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3dy5 h ILE 1037CO 0.16 0.00 -0.45 -1.28 0.00 0.00 0.00 178.15 176.59 3dy5 h SER 1038N 0.01 -1.27 -0.47 1.72 0.87 -0.32 0.97 113.55 115.06 3dy5 h SER 1038Ca 0.65 0.11 0.05 0.00 -1.23 0.00 0.00 61.79 61.37 3dy5 h SER 1038Cb 1.45 0.43 -0.05 0.00 -0.44 0.00 0.00 62.40 63.79 3dy5 h SER 1038CO -0.88 -0.56 0.21 0.11 -0.53 0.00 0.00 176.83 175.18 3dy5 h LYS 1039N -0.83 0.41 -0.61 2.24 1.57 -0.11 -1.18 116.57 118.07 3dy5 h LYS 1039Ca -0.04 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 3dy5 h LYS 1039Cb 0.74 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 3dy5 h LYS 1039CO -0.11 0.27 0.28 0.87 -0.57 0.00 0.00 179.45 180.19 3dy5 h LYS 1040N 0.43 0.49 0.23 3.15 1.79 -0.11 0.23 116.57 122.77 3dy5 h LYS 1040Ca 0.21 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 3dy5 h LYS 1040Cb 0.16 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 3dy5 h LYS 1040CO -0.17 0.32 -0.11 0.82 -1.08 0.00 0.00 179.45 179.23 3dy5 h ILE 1041N 0.50 0.82 -0.40 1.86 2.04 -0.41 -1.57 117.51 120.36 3dy5 h ILE 1041Ca 0.29 -0.25 0.12 0.00 1.00 0.00 0.00 64.86 66.02 3dy5 h ILE 1041Cb 0.29 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3dy5 h ILE 1041CO -0.24 0.06 0.34 0.11 0.00 0.00 0.00 178.15 178.42 3dy5 h LYS 1042N -0.43 0.00 -0.00 2.37 1.57 -0.55 0.87 116.57 120.39 3dy5 h LYS 1042Ca -0.03 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.56 3dy5 h LYS 1042Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3dy5 h LYS 1042CO 0.05 0.00 -0.85 1.96 -0.57 0.00 0.00 179.45 180.04 3dy5 h GLN 1043N 0.00 0.19 0.02 3.15 4.20 0.00 -3.07 115.11 119.60 3dy5 h GLN 1043Ca 0.19 -0.20 -0.21 0.00 0.06 0.00 0.00 58.65 58.49 3dy5 h GLN 1043Cb 0.87 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 3dy5 h GLN 1043CO -0.00 0.93 -0.93 -0.09 -0.67 0.00 0.00 178.83 178.06 3dy5 h ARG 1044N 0.11 0.18 0.00 1.46 1.12 0.07 -3.21 114.38 114.11 3dy5 h ARG 1044Ca -0.04 -0.21 0.00 0.00 -1.11 0.00 0.00 59.98 58.62 3dy5 h ARG 1044Cb 1.46 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.49 3dy5 h ARG 1044CO 0.13 0.98 0.00 0.09 -3.11 0.00 0.00 179.97 178.06 3dy5 n ASN 1045N -3.61 0.00 -0.16 -3.80 3.02 -0.30 -3.12 115.26 107.29 3dy5 n ASN 1045Ca -0.04 -0.13 -0.05 0.00 -0.03 0.00 0.00 54.58 54.33 3dy5 n ASN 1045Cb 0.85 -0.28 0.14 0.00 -0.61 0.00 0.00 39.78 39.87 3dy5 n ASN 1045CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3dy5 h GLU 1046N 0.00 0.92 0.00 3.52 5.08 -1.53 -3.19 114.58 119.37 3dy5 h GLU 1046Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3dy5 h GLU 1046Cb 0.27 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3dy5 h GLU 1046CO 0.00 0.85 -0.52 -0.91 -1.00 0.00 0.00 179.01 177.43 3dy5 h ASN 1047N 0.87 0.00 -3.66 1.42 2.35 -1.76 -3.47 115.58 111.33 3dy5 h ASN 1047Ca 0.18 -0.11 -0.50 0.00 -0.55 0.00 0.00 56.30 55.33 3dy5 h ASN 1047Cb 0.38 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.75 3dy5 h ASN 1047CO 0.01 0.05 0.10 -0.76 -1.65 0.00 0.00 177.43 175.18 3dy5 s LEU 1048N -4.77 3.82 0.08 1.61 1.43 -1.21 -4.99 118.68 114.66 3dy5 s LEU 1048Ca 0.06 1.09 0.16 0.00 -1.03 0.00 0.00 54.13 54.41 3dy5 s LEU 1048Cb 0.11 -3.97 -0.12 0.00 0.03 0.00 0.00 46.19 42.24 3dy5 s LEU 1048CO 0.71 -0.40 0.88 -0.08 0.23 0.00 0.00 176.35 177.69 3dy5 h GLU 1049N 1.19 0.00 -2.60 1.70 4.81 -1.90 -3.41 114.58 114.37 3dy5 h GLU 1049Ca -0.47 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.16 3dy5 h GLU 1049Cb 1.19 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 30.18 3dy5 h GLU 1049CO 0.64 0.32 -0.86 0.08 -0.73 0.00 0.00 179.01 178.46 3dy5 s VAL 1050N -2.92 0.97 0.73 0.32 1.01 -1.26 -5.13 120.40 114.13 3dy5 s VAL 1050Ca -0.02 -2.91 -0.16 0.00 0.00 0.00 0.00 61.98 58.89 3dy5 s VAL 1050Cb 0.09 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.81 3dy5 s VAL 1050CO 0.81 -1.13 0.92 -0.81 0.00 0.00 0.00 175.10 174.88 3dy5 n PRO 1051N 2.82 0.44 -3.17 2.72 -0.04 -1.26 -4.97 135.00 131.54 3dy5 n PRO 1051Ca 0.24 0.20 -0.44 0.00 -0.04 0.00 0.00 63.50 63.46 3dy5 n PRO 1051Cb 0.43 -2.18 -0.05 0.00 -0.04 0.00 0.00 33.50 31.65 3dy5 n PRO 1051CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3dy5 s TYR 1052N -1.87 3.06 -0.20 0.54 5.04 -1.26 -4.86 117.35 117.80 3dy5 s TYR 1052Ca 0.72 -0.85 0.13 0.00 -2.44 0.00 0.00 57.07 54.63 3dy5 s TYR 1052Cb -0.34 -3.77 -0.23 0.00 0.35 0.00 0.00 41.96 37.98 3dy5 s TYR 1052CO 0.52 -1.14 0.04 0.44 -1.34 0.00 0.00 175.55 174.07 3dy5 n ILE 1053N 5.52 1.44 0.00 3.14 -5.35 -1.26 -4.60 119.36 118.25 3dy5 n ILE 1053Ca -0.09 -0.77 0.00 0.00 -0.27 0.00 0.00 62.75 61.61 3dy5 n ILE 1053Cb 0.43 -0.79 0.00 0.00 -1.74 0.00 0.00 39.64 37.55 3dy5 n ILE 1053CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3dy5 n TYR 1054N -2.92 0.00 0.06 4.28 4.02 -1.26 0.31 117.16 121.65 3dy5 n TYR 1054Ca -0.35 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.55 3dy5 n TYR 1054Cb 1.11 -0.10 0.01 0.00 -0.02 0.00 0.00 39.34 40.34 3dy5 n TYR 1054CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3dy5 n LEU 1055N -0.98 1.40 -4.71 7.72 4.77 -1.26 -4.48 117.00 119.45 3dy5 n LEU 1055Ca 0.00 -1.22 -0.43 0.00 -0.03 0.00 0.00 56.01 54.32 3dy5 n LEU 1055Cb 0.05 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3dy5 n LEU 1055CO 0.00 0.33 1.20 0.18 -1.33 0.00 0.00 177.39 177.77 3dy5 n LEU 1056N 0.02 3.71 0.00 2.23 4.77 0.15 -4.86 117.00 123.02 3dy5 n LEU 1056Ca 0.01 1.12 0.01 0.00 -0.03 0.00 0.00 56.01 57.12 3dy5 n LEU 1056Cb 0.10 -1.51 0.05 0.00 -2.33 0.00 0.00 43.42 39.73 3dy5 n LEU 1056CO 0.01 -0.10 0.46 -2.65 -1.33 0.00 0.00 177.39 173.79 3dy5 n PRO 1057N 2.72 0.02 -0.53 3.23 -0.02 -1.26 -0.57 135.00 138.59 3dy5 n PRO 1057Ca 0.12 0.31 0.09 0.00 -2.02 0.00 0.00 63.50 62.01 3dy5 n PRO 1057Cb 0.33 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.63 3dy5 n PRO 1057CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3dy5 n GLU 1058N -1.34 3.50 -0.61 -0.52 0.00 -1.26 -3.13 120.64 117.27 3dy5 n GLU 1058Ca 0.01 -2.77 0.03 0.00 0.00 0.00 0.00 57.16 54.43 3dy5 n GLU 1058Cb 0.02 -1.79 0.04 0.00 0.00 0.00 0.00 31.44 29.71 3dy5 n GLU 1058CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3dy5 n ARG 1059N 0.86 0.30 -3.81 3.44 1.74 0.26 -4.95 116.66 114.50 3dy5 n ARG 1059Ca 0.23 -1.57 -0.32 0.00 -0.77 0.00 0.00 57.85 55.42 3dy5 n ARG 1059Cb 0.82 -0.64 -0.11 0.00 -1.02 0.00 0.00 32.46 31.52 3dy5 n ARG 1059CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dy5 s ILE 1060N -0.65 3.32 -0.75 0.55 -1.09 -1.23 -4.89 121.20 116.45 3dy5 s ILE 1060Ca 0.14 -3.58 -0.30 0.00 -2.23 0.00 0.00 60.65 54.68 3dy5 s ILE 1060Cb 0.14 -3.17 -0.16 0.00 -1.58 0.00 0.00 42.46 37.69 3dy5 s ILE 1060CO -0.03 -0.93 2.54 -2.65 -1.23 0.00 0.00 174.94 172.65 3dy5 n PRO 1061N 2.77 0.46 0.00 2.79 -0.02 -1.26 -0.52 135.00 139.22 3dy5 n PRO 1061Ca 0.13 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3dy5 n PRO 1061Cb 0.35 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3dy5 n PRO 1061CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3dy5 n ASN 1062N 12.39 0.00 0.00 2.55 3.02 -0.70 -4.37 115.26 128.15 3dy5 n ASN 1062Ca 0.53 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 3dy5 n ASN 1062Cb 0.23 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 3dy5 n ASN 1062CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dy5 n GLY 1063N -0.87 4.67 3.10 7.41 0.00 -1.26 -4.01 105.19 114.23 3dy5 n GLY 1063Ca 0.00 -1.07 0.01 0.00 0.00 0.00 0.00 46.02 44.97 3dy5 n GLY 1063CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dy5 s THR 1064N 3.59 -0.92 0.00 2.61 2.01 -1.20 -4.28 115.64 117.44 3dy5 s THR 1064Ca 0.00 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.96 3dy5 s THR 1064Cb 0.00 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.52 3dy5 s THR 1064CO 0.00 -0.05 0.00 0.00 -0.69 0.00 0.00 174.62 173.88 3dy5 n ALA 1065N 5.41 0.00 -1.88 7.40 0.00 -1.26 0.87 120.51 131.04 3dy5 n ALA 1065Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3dy5 n ALA 1065Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3dy5 n ALA 1065CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94