#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h39 n GLN 2 N 0.00 1.63 -0.08 0.03 7.27 -1.26 -4.84 117.38 120.13 3h39 n GLN 2 Ca 0.00 0.60 -0.09 0.00 0.07 0.00 0.00 57.00 57.58 3h39 n GLN 2 Cb 0.00 -2.36 -0.15 0.00 2.41 0.00 0.00 30.24 30.14 3h39 n GLN 2 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 3h39 n ILE 3 N 4.87 1.39 -4.77 1.69 5.41 -1.26 -4.93 119.36 121.77 3h39 n ILE 3 Ca 0.25 -0.83 -0.32 0.00 1.00 0.00 0.00 62.75 62.85 3h39 n ILE 3 Cb 0.20 -0.59 -0.13 0.00 -0.71 0.00 0.00 39.64 38.42 3h39 n ILE 3 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3h39 s PHE 4 N -2.56 2.63 0.00 1.39 0.40 -1.26 -1.76 117.98 116.82 3h39 s PHE 4 Ca -0.09 -0.21 -0.12 0.00 -0.60 0.00 0.00 56.93 55.92 3h39 s PHE 4 Cb 0.07 -1.54 0.01 0.00 0.51 0.00 0.00 43.02 42.07 3h39 s PHE 4 CO 0.83 0.22 0.24 1.03 0.70 0.00 0.00 175.22 178.24 3h39 s ARG 5 N -1.11 0.62 -0.44 0.44 0.52 -0.79 -4.97 118.95 113.22 3h39 s ARG 5 Ca 0.13 -0.34 -0.15 0.00 -0.52 0.00 0.00 55.73 54.86 3h39 s ARG 5 Cb -0.11 0.27 0.05 0.00 0.52 0.00 0.00 34.95 35.68 3h39 s ARG 5 CO 0.03 -0.17 0.34 0.34 0.02 0.00 0.00 175.30 175.87 3h39 s ASP 6 N -1.49 6.12 -0.31 0.23 3.68 -1.26 0.03 116.67 123.67 3h39 s ASP 6 Ca -0.12 -1.12 0.09 0.00 2.13 0.00 0.00 52.55 53.52 3h39 s ASP 6 Cb -0.05 -2.17 0.54 0.00 -1.45 0.00 0.00 42.92 39.79 3h39 s ASP 6 CO 0.02 -0.55 1.53 1.33 0.13 0.00 0.00 175.17 177.64 3h39 n VAL 7 N 5.17 2.64 -0.09 1.11 0.24 -0.63 -4.64 118.33 122.13 3h39 n VAL 7 Ca -0.12 -2.57 -0.12 0.00 -2.04 0.00 0.00 64.34 59.49 3h39 n VAL 7 Cb 0.45 -0.34 -0.05 0.00 -1.47 0.00 0.00 33.84 32.44 3h39 n VAL 7 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3h39 h SER 8 N 1.08 0.59 -0.39 -1.34 4.64 -1.90 -0.67 113.55 115.55 3h39 h SER 8 Ca 0.27 -0.43 -0.04 0.00 -0.47 0.00 0.00 61.79 61.11 3h39 h SER 8 Cb 1.83 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.74 3h39 h SER 8 CO 0.49 0.89 0.07 0.07 -0.87 0.00 0.00 176.83 177.48 3h39 h LYS 9 N 0.29 0.64 -0.98 4.77 -0.00 -1.95 -1.42 116.57 117.93 3h39 h LYS 9 Ca 0.05 -0.17 0.16 0.00 -0.00 0.00 0.00 60.65 60.69 3h39 h LYS 9 Cb 0.68 -0.08 -0.10 0.00 -0.00 0.00 0.00 32.23 32.74 3h39 h LYS 9 CO 0.04 0.69 0.59 1.25 -0.00 0.00 0.00 179.45 182.02 3h39 h LEU 10 N 0.49 0.79 0.05 7.07 5.85 -1.86 -2.28 115.31 125.42 3h39 h LEU 10 Ca 0.12 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3h39 h LEU 10 Cb 0.35 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3h39 h LEU 10 CO 0.01 0.34 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.35 3h39 h LEU 11 N 0.82 -0.06 -1.15 2.25 3.38 -0.05 -2.08 115.31 118.43 3h39 h LEU 11 Ca 0.53 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.35 3h39 h LEU 11 Cb 0.72 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3h39 h LEU 11 CO -0.34 0.05 -0.30 -0.37 0.09 0.00 0.00 178.44 177.57 3h39 h VAL 12 N -0.16 0.80 0.14 1.22 -1.51 -0.86 0.15 116.25 116.03 3h39 h VAL 12 Ca -0.01 -1.27 -0.31 0.00 -1.23 0.00 0.00 66.70 63.88 3h39 h VAL 12 Cb 0.14 1.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 3h39 h VAL 12 CO 0.01 0.30 -1.54 1.05 -1.23 0.00 0.00 177.57 176.16 3h39 h GLU 13 N 0.00 0.30 0.00 5.19 4.11 -1.42 -3.38 114.58 119.39 3h39 h GLU 13 Ca -0.00 -0.51 0.00 0.00 0.07 0.00 0.00 59.36 58.91 3h39 h GLU 13 Cb 0.76 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3h39 h GLU 13 CO 0.04 1.18 -1.61 0.54 0.07 0.00 0.00 179.01 179.23 3h39 n ARG 14 N -3.50 0.63 -3.57 1.06 1.74 -0.79 -4.90 116.66 107.33 3h39 n ARG 14 Ca -0.17 -0.07 -0.38 0.00 -0.77 0.00 0.00 57.85 56.46 3h39 n ARG 14 Cb 1.05 -1.64 -0.10 0.00 -1.02 0.00 0.00 32.46 30.75 3h39 n ARG 14 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3h39 s VAL 15 N -3.46 5.30 0.15 1.55 1.01 0.52 -5.04 120.40 120.42 3h39 s VAL 15 Ca -0.05 0.26 -0.34 0.00 0.00 0.00 0.00 61.98 61.84 3h39 s VAL 15 Cb 0.12 -3.56 -0.15 0.00 0.00 0.00 0.00 36.38 32.80 3h39 s VAL 15 CO 0.86 0.26 1.50 -0.67 0.00 0.00 0.00 175.10 177.06 3h39 n ASP 16 N 4.88 2.70 -0.16 3.32 -0.08 -1.26 -4.59 116.55 121.36 3h39 n ASP 16 Ca -0.13 1.10 0.15 0.00 -1.51 0.00 0.00 54.79 54.40 3h39 n ASP 16 Cb 0.52 -1.37 0.51 0.00 2.34 0.00 0.00 41.12 43.12 3h39 n ASP 16 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3h39 h PRO 17 N 5.45 0.39 -0.66 -0.67 0.11 -1.96 0.19 132.00 134.86 3h39 h PRO 17 Ca -0.46 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.69 3h39 h PRO 17 Cb 1.28 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 3h39 h PRO 17 CO 0.85 0.26 0.35 0.87 -0.21 0.00 0.00 178.00 180.12 3h39 h LYS 18 N 0.41 0.63 -0.19 1.05 1.79 -1.99 -0.44 116.57 117.83 3h39 h LYS 18 Ca 0.36 -0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.65 3h39 h LYS 18 Cb 0.84 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 3h39 h LYS 18 CO -0.11 0.42 -0.46 0.82 -1.08 0.00 0.00 179.45 179.04 3h39 h ILE 19 N 0.65 1.33 -0.39 1.86 2.04 -1.37 -2.75 117.51 118.87 3h39 h ILE 19 Ca 0.30 -1.70 -0.06 0.00 1.00 0.00 0.00 64.86 64.41 3h39 h ILE 19 Cb 0.21 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 3h39 h ILE 19 CO -0.19 0.53 0.01 0.25 0.00 0.00 0.00 178.15 178.74 3h39 h LEU 20 N 0.32 0.58 -0.54 1.44 6.46 -1.13 -2.38 115.31 120.05 3h39 h LEU 20 Ca -0.00 -0.12 -0.07 0.00 -0.12 0.00 0.00 57.88 57.56 3h39 h LEU 20 Cb 1.07 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.82 3h39 h LEU 20 CO 0.10 0.65 0.05 0.78 -0.62 0.00 0.00 178.44 179.40 3h39 h ASN 21 N 0.59 0.90 -0.23 1.25 2.35 -1.12 -1.69 115.58 117.63 3h39 h ASN 21 Ca 0.12 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 3h39 h ASN 21 Cb 0.36 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3h39 h ASN 21 CO 0.01 0.96 0.15 0.25 -1.65 0.00 0.00 177.43 177.15 3h39 h LEU 22 N 0.81 0.27 0.05 1.61 5.85 -1.16 -1.55 115.31 121.19 3h39 h LEU 22 Ca 0.16 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3h39 h LEU 22 Cb 0.47 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3h39 h LEU 22 CO 0.02 0.20 -0.02 -0.26 -0.34 0.00 0.00 178.44 178.03 3h39 h PHE 23 N 0.31 -0.06 -0.96 1.25 0.04 -0.88 -1.55 116.94 115.10 3h39 h PHE 23 Ca 0.08 -0.00 0.20 0.00 2.80 0.00 0.00 57.97 61.05 3h39 h PHE 23 Cb -0.03 0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.05 3h39 h PHE 23 CO 0.00 0.38 0.61 0.00 -0.60 0.00 0.00 178.31 178.70 3h39 h ARG 24 N -0.52 0.55 0.02 1.51 3.08 -0.96 -0.31 114.38 117.74 3h39 h ARG 24 Ca -0.01 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3h39 h ARG 24 Cb 0.47 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3h39 h ARG 24 CO 0.01 0.36 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.19 3h39 h LEU 25 N 0.56 -0.02 -0.73 3.04 3.38 -1.23 -2.15 115.31 118.17 3h39 h LEU 25 Ca 0.52 -0.76 0.16 0.00 0.09 0.00 0.00 57.88 57.89 3h39 h LEU 25 Cb 1.07 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.72 3h39 h LEU 25 CO -0.26 0.78 0.18 -0.07 0.09 0.00 0.00 178.44 179.16 3h39 h LEU 26 N -0.86 0.03 -0.26 1.67 3.38 -0.93 0.55 115.31 118.89 3h39 h LEU 26 Ca -0.00 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3h39 h LEU 26 Cb 0.77 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 3h39 h LEU 26 CO 0.00 -0.03 -0.08 1.23 0.09 0.00 0.00 178.44 179.66 3h39 h GLY 27 N 0.28 0.17 1.00 0.83 0.00 -1.09 0.14 103.07 104.40 3h39 h GLY 27 Ca 0.41 0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.77 3h39 h GLY 27 CO -0.50 -0.11 0.06 1.70 0.00 0.00 0.00 176.54 177.69 3h39 h LYS 28 N -0.02 0.87 -0.68 4.80 3.64 0.09 -1.74 116.57 123.53 3h39 h LYS 28 Ca 0.13 -0.25 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 3h39 h LYS 28 Cb 0.21 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 3h39 h LYS 28 CO -0.28 0.87 0.39 0.74 -2.27 0.00 0.00 179.45 178.90 3h39 h PHE 29 N 0.75 0.73 -0.30 1.91 0.05 0.23 0.79 116.94 121.10 3h39 h PHE 29 Ca 0.15 0.02 0.07 0.00 3.82 0.00 0.00 57.97 62.04 3h39 h PHE 29 Cb 0.44 -0.23 -0.08 0.00 2.00 0.00 0.00 35.95 38.08 3h39 h PHE 29 CO 0.03 0.37 -0.22 0.78 -0.18 0.00 0.00 178.31 179.09 3h39 h GLY 30 N 0.74 -0.06 1.02 -1.45 0.00 -0.28 -0.54 103.07 102.50 3h39 h GLY 30 Ca 0.30 0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.95 3h39 h GLY 30 CO -0.16 -0.19 0.54 -0.55 0.00 0.00 0.00 176.54 176.17 3h39 h ASP 31 N -0.19 0.84 -0.05 0.19 3.32 -0.39 0.16 116.42 120.30 3h39 h ASP 31 Ca 0.16 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 3h39 h ASP 31 Cb 0.44 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3h39 h ASP 31 CO -0.41 0.56 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.02 3h39 h GLU 32 N 0.96 0.52 -0.67 3.56 5.08 0.15 -2.92 114.58 121.26 3h39 h GLU 32 Ca 0.34 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3h39 h GLU 32 Cb 0.12 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3h39 h GLU 32 CO -0.11 0.78 0.00 1.33 -1.00 0.00 0.00 179.01 180.01 3h39 n VAL 33 N -4.08 1.61 -3.63 3.13 0.24 -0.31 -4.98 118.33 110.32 3h39 n VAL 33 Ca -0.01 -1.15 -0.25 0.00 -2.04 0.00 0.00 64.34 60.89 3h39 n VAL 33 Cb 0.46 0.23 0.07 0.00 -1.47 0.00 0.00 33.84 33.13 3h39 n VAL 33 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3h39 n ASN 34 N 1.24 -6.17 -4.11 -1.34 5.15 -0.30 -5.03 115.26 104.69 3h39 n ASN 34 Ca 0.25 -0.56 -0.25 0.00 -0.60 0.00 0.00 54.58 53.42 3h39 n ASN 34 Cb 0.81 -4.87 -0.16 0.00 -0.53 0.00 0.00 39.78 35.04 3h39 n ASN 34 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3h39 s MET 35 N -6.34 1.59 0.18 1.20 1.00 0.42 -4.99 119.30 112.37 3h39 s MET 35 Ca 0.59 -0.55 -0.32 0.00 0.00 0.00 0.00 55.69 55.41 3h39 s MET 35 Cb -0.27 -1.41 -0.12 0.00 0.00 0.00 0.00 34.83 33.03 3h39 s MET 35 CO 0.73 0.23 1.71 -2.30 0.00 0.00 0.00 175.02 175.40 3h39 n PRO 36 N 3.12 2.65 -4.17 2.03 -0.02 -1.26 -4.07 135.00 133.28 3h39 n PRO 36 Ca -0.18 0.96 -0.34 0.00 -2.02 0.00 0.00 63.50 61.92 3h39 n PRO 36 Cb 0.53 -2.80 -0.13 0.00 -0.02 0.00 0.00 33.50 31.09 3h39 n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h39 s VAL 37 N 1.35 3.89 0.04 -1.45 1.01 -1.26 -1.60 120.40 122.37 3h39 s VAL 37 Ca 0.77 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.49 3h39 s VAL 37 Cb -0.54 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3h39 s VAL 37 CO 0.34 0.45 -0.24 -0.31 0.00 0.00 0.00 175.10 175.34 3h39 s TYR 38 N 0.82 2.13 -0.05 5.22 1.51 0.28 -0.80 117.35 126.46 3h39 s TYR 38 Ca -0.00 -0.40 -0.11 0.00 -1.01 0.00 0.00 57.07 55.55 3h39 s TYR 38 Cb -0.14 -1.29 -0.05 0.00 -0.11 0.00 0.00 41.96 40.37 3h39 s TYR 38 CO 0.02 0.09 0.28 0.54 -1.11 0.00 0.00 175.55 175.37 3h39 s VAL 39 N -0.77 5.26 0.24 0.71 0.11 -0.43 0.36 120.40 125.88 3h39 s VAL 39 Ca 0.10 0.52 -0.02 0.00 -2.93 0.00 0.00 61.98 59.65 3h39 s VAL 39 Cb -0.09 -3.56 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 3h39 s VAL 39 CO 0.02 0.59 0.24 0.68 -3.33 0.00 0.00 175.10 173.29 3h39 s VAL 40 N -1.07 0.00 0.00 2.04 -7.23 0.11 -0.75 120.40 113.50 3h39 s VAL 40 Ca 0.20 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 3h39 s VAL 40 Cb -0.14 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.34 3h39 s VAL 40 CO 0.09 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.49 3h39 n GLY 41 N -0.36 2.03 0.37 2.32 0.00 -1.20 -4.11 105.19 104.24 3h39 n GLY 41 Ca 0.02 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.66 3h39 n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h39 h GLY 42 N 0.00 1.38 1.51 -0.02 0.00 -1.91 -0.69 103.07 103.34 3h39 h GLY 42 Ca 0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 3h39 h GLY 42 CO 0.00 0.29 -0.11 -2.75 0.00 0.00 0.00 176.54 173.97 3h39 h PHE 43 N 1.05 0.64 -0.40 5.60 3.57 -1.82 0.15 116.94 125.72 3h39 h PHE 43 Ca 0.41 -0.10 -0.15 0.00 3.53 0.00 0.00 57.97 61.66 3h39 h PHE 43 Cb 0.23 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3h39 h PHE 43 CO -0.00 0.68 -0.33 0.28 -2.23 0.00 0.00 178.31 176.71 3h39 h VAL 44 N 0.55 1.27 0.11 1.41 2.07 -1.37 0.14 116.25 120.43 3h39 h VAL 44 Ca 0.10 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 3h39 h VAL 44 Cb 0.52 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3h39 h VAL 44 CO 0.03 0.50 -0.05 -0.09 0.02 0.00 0.00 177.57 177.98 3h39 h ARG 45 N 0.77 -0.14 -0.35 1.57 2.43 -0.86 -2.95 114.38 114.85 3h39 h ARG 45 Ca 0.08 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 3h39 h ARG 45 Cb 0.91 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 3h39 h ARG 45 CO 0.08 0.12 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.11 3h39 h ASP 46 N -0.39 0.59 -0.61 -3.80 3.32 -0.58 -2.70 116.42 112.25 3h39 h ASP 46 Ca -0.01 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 56.94 3h39 h ASP 46 Cb 0.32 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 3h39 h ASP 46 CO 0.02 0.74 0.32 0.25 -1.72 0.00 0.00 179.24 178.85 3h39 h LEU 47 N 0.56 0.45 -0.55 1.55 5.85 -0.68 0.14 115.31 122.63 3h39 h LEU 47 Ca 0.10 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3h39 h LEU 47 Cb 0.52 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3h39 h LEU 47 CO 0.03 0.29 0.00 -0.07 -0.34 0.00 0.00 178.44 178.35 3h39 h LEU 48 N 0.59 0.00 -0.90 2.25 3.38 -1.32 -2.88 115.31 116.43 3h39 h LEU 48 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3h39 h LEU 48 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3h39 h LEU 48 CO -0.19 0.00 -0.51 0.18 0.09 0.00 0.00 178.44 178.01 3h39 n LEU 49 N -2.51 1.91 0.00 1.67 4.77 -0.41 -4.96 117.00 117.47 3h39 n LEU 49 Ca 0.03 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 3h39 n LEU 49 Cb 0.34 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3h39 n LEU 49 CO 0.26 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3h39 n GLY 50 N 1.42 0.42 3.86 -0.72 0.00 0.21 -5.04 105.19 105.35 3h39 n GLY 50 Ca 0.09 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 3h39 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h39 s ILE 51 N -2.00 5.05 0.33 -0.61 1.09 0.25 -5.00 121.20 120.30 3h39 s ILE 51 Ca 0.00 0.60 -0.27 0.00 -1.10 0.00 0.00 60.65 59.89 3h39 s ILE 51 Cb 0.00 -3.67 -0.09 0.00 -1.06 0.00 0.00 42.46 37.63 3h39 s ILE 51 CO 0.00 0.37 1.01 -0.75 -0.10 0.00 0.00 174.94 175.47 3h39 s LYS 52 N -1.67 4.50 -0.09 2.79 2.20 -1.26 -3.98 119.74 122.22 3h39 s LYS 52 Ca 0.31 1.52 -0.08 0.00 -0.36 0.00 0.00 55.97 57.36 3h39 s LYS 52 Cb -0.15 -2.87 0.03 0.00 -1.51 0.00 0.00 37.83 33.33 3h39 s LYS 52 CO 0.17 0.16 0.24 1.21 -0.36 0.00 0.00 175.35 176.77 3h39 s ASN 53 N -1.37 -0.25 -0.03 1.43 3.84 -1.26 -5.03 114.94 112.26 3h39 s ASN 53 Ca 0.50 0.49 0.05 0.00 0.21 0.00 0.00 52.86 54.11 3h39 s ASN 53 Cb -0.24 0.47 0.08 0.00 -0.55 0.00 0.00 41.25 41.01 3h39 s ASN 53 CO 0.30 -0.10 0.93 0.18 -2.79 0.00 0.00 177.10 175.61 3h39 n LEU 54 N 3.23 1.28 -4.00 3.21 4.77 -1.26 -4.88 117.00 119.35 3h39 n LEU 54 Ca -0.15 -1.65 -0.32 0.00 -0.03 0.00 0.00 56.01 53.85 3h39 n LEU 54 Cb 0.57 -0.11 -0.12 0.00 -2.33 0.00 0.00 43.42 41.43 3h39 n LEU 54 CO 0.17 0.40 -0.06 -0.62 -1.33 0.00 0.00 177.39 175.95 3h39 s ASP 55 N -1.26 4.77 -0.19 -1.43 2.15 -1.26 -3.01 116.67 116.43 3h39 s ASP 55 Ca 0.08 -3.14 -0.07 0.00 0.43 0.00 0.00 52.55 49.85 3h39 s ASP 55 Cb 0.07 -1.72 -0.04 0.00 -0.30 0.00 0.00 42.92 40.93 3h39 s ASP 55 CO 0.01 -0.25 0.06 0.27 -0.17 0.00 0.00 175.17 175.09 3h39 s ILE 56 N -0.46 4.70 -0.26 4.11 -0.00 -1.15 -4.61 121.20 123.52 3h39 s ILE 56 Ca 0.19 -0.06 -0.13 0.00 -0.00 0.00 0.00 60.65 60.64 3h39 s ILE 56 Cb -0.20 -3.13 -0.04 0.00 -0.00 0.00 0.00 42.46 39.09 3h39 s ILE 56 CO -0.04 0.44 0.30 -1.81 -0.00 0.00 0.00 174.94 173.83 3h39 s ASP 57 N 0.56 6.18 -0.15 4.36 1.11 -1.26 -2.19 116.67 125.29 3h39 s ASP 57 Ca 0.03 0.20 -0.07 0.00 0.18 0.00 0.00 52.55 52.88 3h39 s ASP 57 Cb -0.13 -2.17 -0.04 0.00 1.07 0.00 0.00 42.92 41.64 3h39 s ASP 57 CO 0.01 -0.11 0.11 -0.63 1.18 0.00 0.00 175.17 175.73 3h39 s ILE 58 N 1.83 5.27 -0.14 0.77 1.09 0.15 0.05 121.20 130.22 3h39 s ILE 58 Ca 0.12 0.13 0.00 0.00 -1.10 0.00 0.00 60.65 59.80 3h39 s ILE 58 Cb -0.16 -3.33 -0.01 0.00 -1.06 0.00 0.00 42.46 37.90 3h39 s ILE 58 CO 0.10 0.54 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.64 3h39 s VAL 59 N -0.42 2.78 0.16 2.92 1.01 0.16 -0.69 120.40 126.31 3h39 s VAL 59 Ca 0.11 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3h39 s VAL 59 Cb -0.12 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3h39 s VAL 59 CO 0.02 0.52 0.05 0.68 0.00 0.00 0.00 175.10 176.37 3h39 s VAL 60 N 0.54 4.06 -0.57 2.92 -7.23 0.60 -0.55 120.40 120.17 3h39 s VAL 60 Ca -0.10 -1.24 -0.16 0.00 -1.81 0.00 0.00 61.98 58.68 3h39 s VAL 60 Cb -0.16 -3.04 0.13 0.00 0.56 0.00 0.00 36.38 33.87 3h39 s VAL 60 CO 0.04 -0.08 0.54 -1.61 -0.31 0.00 0.00 175.10 173.68 3h39 s GLU 61 N -2.92 3.04 0.00 4.82 2.02 -0.63 -1.50 118.70 123.53 3h39 s GLU 61 Ca 0.29 -1.72 0.00 0.00 0.02 0.00 0.00 54.97 53.55 3h39 s GLU 61 Cb -0.10 -4.31 0.00 0.00 0.10 0.00 0.00 34.13 29.82 3h39 s GLU 61 CO 0.20 -1.35 0.00 0.41 0.02 0.00 0.00 175.26 174.54 3h39 n GLY 62 N 5.16 -0.70 2.62 -1.39 0.00 -1.26 -3.99 105.19 105.64 3h39 n GLY 62 Ca -0.11 0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 3h39 n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h39 s ASN 63 N -4.00 2.36 0.16 1.61 2.47 -1.26 -4.92 114.94 111.36 3h39 s ASN 63 Ca 0.00 -0.65 -0.18 0.00 0.42 0.00 0.00 52.86 52.45 3h39 s ASN 63 Cb 0.00 -0.16 0.08 0.00 -1.45 0.00 0.00 41.25 39.73 3h39 s ASN 63 CO 0.00 -0.36 1.66 0.00 -3.72 0.00 0.00 177.10 174.68 3h39 h ALA 64 N 8.40 0.16 0.06 1.71 0.00 -1.84 0.24 119.26 128.00 3h39 h ALA 64 Ca -0.16 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h39 h ALA 64 Cb 1.13 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 3h39 h ALA 64 CO 0.31 -0.51 -0.41 -0.07 0.00 0.00 0.00 179.25 178.57 3h39 h LEU 65 N -0.07 -1.24 -0.31 0.00 3.38 -1.87 0.79 115.31 115.98 3h39 h LEU 65 Ca 0.18 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.33 3h39 h LEU 65 Cb 0.35 0.46 -0.08 0.00 0.09 0.00 0.00 40.66 41.48 3h39 h LEU 65 CO -0.42 -0.42 -0.55 -0.33 0.09 0.00 0.00 178.44 176.81 3h39 h GLU 66 N -0.56 -0.45 -0.82 1.13 5.08 -1.94 0.25 114.58 117.28 3h39 h GLU 66 Ca -0.00 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.55 3h39 h GLU 66 Cb 0.57 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.82 3h39 h GLU 66 CO -0.24 -0.30 0.37 0.35 -1.00 0.00 0.00 179.01 178.20 3h39 h PHE 67 N -0.46 0.64 -0.15 4.33 3.57 -0.03 0.45 116.94 125.29 3h39 h PHE 67 Ca 0.06 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.38 3h39 h PHE 67 Cb 0.63 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 39.22 3h39 h PHE 67 CO -0.68 0.09 -0.77 0.00 -2.23 0.00 0.00 178.31 174.73 3h39 h ALA 68 N 1.58 0.35 -0.34 2.41 0.00 0.11 -0.84 119.26 122.55 3h39 h ALA 68 Ca 0.46 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3h39 h ALA 68 Cb 0.72 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3h39 h ALA 68 CO -0.41 0.70 0.21 1.49 0.00 0.00 0.00 179.25 181.24 3h39 h GLU 69 N 0.51 0.46 -0.90 0.00 4.81 0.07 -0.65 114.58 118.88 3h39 h GLU 69 Ca -0.05 -0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.29 3h39 h GLU 69 Cb 1.39 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.60 3h39 h GLU 69 CO 0.16 0.33 0.58 -0.92 -0.73 0.00 0.00 179.01 178.43 3h39 h TYR 70 N 0.45 0.85 -0.12 0.92 3.20 -0.81 -2.69 116.97 118.78 3h39 h TYR 70 Ca 0.12 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.90 3h39 h TYR 70 Cb -0.01 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 37.99 3h39 h TYR 70 CO -0.04 0.31 -0.39 0.00 -1.64 0.00 0.00 178.16 176.39 3h39 h ALA 71 N 1.60 0.20 -1.05 1.82 0.00 -0.38 -3.21 119.26 118.24 3h39 h ALA 71 Ca 0.45 -0.46 0.29 0.00 0.00 0.00 0.00 54.91 55.19 3h39 h ALA 71 Cb 0.71 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 3h39 h ALA 71 CO -0.21 0.30 0.64 -0.22 0.00 0.00 0.00 179.25 179.76 3h39 h LYS 72 N 0.06 0.41 -0.99 0.00 3.11 -0.81 0.22 116.57 118.57 3h39 h LYS 72 Ca -0.02 -0.02 0.32 0.00 -2.81 0.00 0.00 60.65 58.12 3h39 h LYS 72 Cb 1.02 -0.09 -0.15 0.00 -1.00 0.00 0.00 32.23 32.01 3h39 h LYS 72 CO 0.08 0.27 0.54 0.00 -2.81 0.00 0.00 179.45 177.53 3h39 h ARG 73 N 0.42 0.29 -0.17 1.90 2.47 -1.53 -2.40 114.38 115.36 3h39 h ARG 73 Ca 0.66 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.36 3h39 h ARG 73 Cb 1.54 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.80 3h39 h ARG 73 CO -0.43 0.19 0.00 1.19 0.56 0.00 0.00 179.97 181.48 3h39 n PHE 74 N -5.08 0.22 -4.11 3.04 3.01 0.76 -4.98 117.46 110.32 3h39 n PHE 74 Ca 0.31 -0.38 -0.19 0.00 1.01 0.00 0.00 57.45 58.20 3h39 n PHE 74 Cb 0.98 -0.03 -0.16 0.00 -0.01 0.00 0.00 39.48 40.26 3h39 n PHE 74 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3h39 s LEU 75 N -0.90 1.33 0.18 4.37 1.02 -0.91 -5.13 118.68 118.64 3h39 s LEU 75 Ca 0.13 -0.10 -0.30 0.00 0.02 0.00 0.00 54.13 53.88 3h39 s LEU 75 Cb 0.07 -0.38 -0.08 0.00 0.02 0.00 0.00 46.19 45.82 3h39 s LEU 75 CO 0.10 -0.06 1.29 -2.16 0.02 0.00 0.00 176.35 175.53 3h39 s PRO 76 N 0.88 4.41 0.00 1.29 0.04 -1.26 -4.69 135.00 135.66 3h39 s PRO 76 Ca -0.11 2.00 0.00 0.00 0.04 0.00 0.00 61.00 62.93 3h39 s PRO 76 Cb -0.14 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.18 3h39 s PRO 76 CO -0.00 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.21 3h39 n GLY 77 N 2.50 -1.19 3.61 0.56 0.00 -1.26 -4.74 105.19 104.67 3h39 n GLY 77 Ca 0.06 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 3h39 n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h39 s LYS 78 N -1.59 3.64 -0.22 1.61 2.36 -0.98 -4.89 119.74 119.67 3h39 s LYS 78 Ca 0.00 -0.40 -0.09 0.00 -2.55 0.00 0.00 55.97 52.93 3h39 s LYS 78 Cb 0.00 -3.03 -0.04 0.00 -1.05 0.00 0.00 37.83 33.71 3h39 s LYS 78 CO 0.00 0.38 0.10 -1.17 1.55 0.00 0.00 175.35 176.21 3h39 s LEU 79 N 0.03 3.83 -0.21 5.43 2.96 -1.26 -0.54 118.68 128.93 3h39 s LEU 79 Ca 0.03 0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 3h39 s LEU 79 Cb -0.13 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 3h39 s LEU 79 CO 0.02 0.07 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.39 3h39 s VAL 80 N 0.98 3.51 -0.00 1.68 1.01 -0.42 -5.02 120.40 122.13 3h39 s VAL 80 Ca 0.05 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 3h39 s VAL 80 Cb -0.14 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 3h39 s VAL 80 CO 0.03 0.43 0.26 -0.54 0.00 0.00 0.00 175.10 175.28 3h39 s LYS 81 N 1.26 3.58 -0.50 2.72 1.02 -1.26 -1.59 119.74 124.97 3h39 s LYS 81 Ca 0.03 -0.06 0.03 0.00 0.02 0.00 0.00 55.97 55.99 3h39 s LYS 81 Cb -0.14 -3.10 0.14 0.00 -0.52 0.00 0.00 37.83 34.21 3h39 s LYS 81 CO -0.01 0.66 0.27 -1.01 -0.92 0.00 0.00 175.35 174.34 3h39 s HIS 82 N -1.26 2.66 0.36 3.18 3.76 -0.65 -4.99 115.29 118.34 3h39 s HIS 82 Ca 0.26 -2.85 0.07 0.00 -0.15 0.00 0.00 55.06 52.39 3h39 s HIS 82 Cb -0.13 -2.38 0.67 0.00 1.11 0.00 0.00 32.58 31.85 3h39 s HIS 82 CO 0.15 -0.75 1.88 -0.44 -0.85 0.00 0.00 174.74 174.73 3h39 h ASP 83 N 6.51 0.35 -0.62 1.40 3.32 -1.97 -2.78 116.42 122.63 3h39 h ASP 83 Ca -0.03 -0.07 0.04 0.00 0.02 0.00 0.00 57.03 56.99 3h39 h ASP 83 Cb 0.90 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 3h39 h ASP 83 CO 0.60 0.49 0.36 0.50 -1.72 0.00 0.00 179.24 179.46 3h39 h LYS 84 N 0.35 0.67 -3.36 3.56 3.11 -1.94 -2.86 116.57 116.10 3h39 h LYS 84 Ca 0.07 -0.04 -0.66 0.00 -2.81 0.00 0.00 60.65 57.21 3h39 h LYS 84 Cb 0.39 -0.15 -0.38 0.00 -1.00 0.00 0.00 32.23 31.08 3h39 h LYS 84 CO 0.02 0.44 -0.44 -0.59 -2.81 0.00 0.00 179.45 176.07 3h39 s PHE 85 N -6.12 3.45 -0.18 1.91 -0.12 -1.24 -5.02 117.98 110.66 3h39 s PHE 85 Ca -0.13 -3.05 -0.08 0.00 -0.05 0.00 0.00 56.93 53.63 3h39 s PHE 85 Cb 0.15 -2.99 -0.05 0.00 -0.63 0.00 0.00 43.02 39.51 3h39 s PHE 85 CO 0.75 -0.73 0.55 -1.33 -0.05 0.00 0.00 175.22 174.41 3h39 n MET 86 N 2.83 0.00 -3.47 1.99 2.81 -1.08 -4.81 117.12 115.39 3h39 n MET 86 Ca 0.12 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.88 3h39 n MET 86 Cb 0.35 -0.32 -0.03 0.00 -0.71 0.00 0.00 33.22 32.51 3h39 n MET 86 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 3h39 s THR 87 N 1.75 0.01 0.06 2.03 -1.32 -1.05 -3.55 115.64 113.57 3h39 s THR 87 Ca 0.28 -0.10 -0.26 0.00 -1.21 0.00 0.00 61.69 60.40 3h39 s THR 87 Cb -0.29 -1.02 0.08 0.00 -1.51 0.00 0.00 72.50 69.77 3h39 s THR 87 CO 0.12 -0.06 0.72 0.00 -2.21 0.00 0.00 174.62 173.19 3h39 s ALA 88 N -3.34 -1.71 -0.04 11.08 0.00 -0.04 -1.63 121.76 126.08 3h39 s ALA 88 Ca -0.01 0.85 0.03 0.00 0.00 0.00 0.00 51.96 52.83 3h39 s ALA 88 Cb -0.00 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.62 3h39 s ALA 88 CO -0.09 -0.65 -0.14 -1.12 0.00 0.00 0.00 175.76 173.76 3h39 s SER 89 N -2.32 1.80 -0.17 0.00 0.01 -0.62 0.11 113.70 112.50 3h39 s SER 89 Ca 0.00 -0.29 -0.04 0.00 1.31 0.00 0.00 55.95 56.93 3h39 s SER 89 Cb -0.01 -0.54 -0.02 0.00 0.21 0.00 0.00 66.02 65.66 3h39 s SER 89 CO -0.07 0.11 -0.03 -0.22 0.41 0.00 0.00 173.24 173.44 3h39 s LEU 90 N 0.18 3.20 -0.36 2.44 1.98 0.74 -1.30 118.68 125.55 3h39 s LEU 90 Ca -0.05 -0.18 -0.11 0.00 -2.89 0.00 0.00 54.13 50.90 3h39 s LEU 90 Cb -0.11 -1.79 0.02 0.00 0.66 0.00 0.00 46.19 44.97 3h39 s LEU 90 CO 0.02 0.12 0.21 -0.36 -1.89 0.00 0.00 176.35 174.45 3h39 s PHE 91 N 0.66 3.23 0.34 5.38 0.08 0.30 -0.99 117.98 126.98 3h39 s PHE 91 Ca -0.02 -0.82 0.08 0.00 0.12 0.00 0.00 56.93 56.30 3h39 s PHE 91 Cb -0.14 -2.44 -0.05 0.00 -0.57 0.00 0.00 43.02 39.82 3h39 s PHE 91 CO 0.02 -0.59 0.11 -0.51 -0.10 0.00 0.00 175.22 174.14 3h39 s LEU 92 N 1.58 3.17 0.15 -0.37 1.43 -0.24 -2.32 118.68 122.09 3h39 s LEU 92 Ca 0.03 -0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 52.00 3h39 s LEU 92 Cb -0.19 -1.61 -0.07 0.00 0.03 0.00 0.00 46.19 44.35 3h39 s LEU 92 CO 0.07 -0.29 0.89 -0.54 0.23 0.00 0.00 176.35 176.71 3h39 s LYS 93 N -3.81 4.69 0.00 1.70 3.01 -1.26 -3.06 119.74 121.01 3h39 s LYS 93 Ca 0.37 1.35 0.00 0.00 -1.01 0.00 0.00 55.97 56.68 3h39 s LYS 93 Cb -0.01 -3.33 0.00 0.00 -1.01 0.00 0.00 37.83 33.48 3h39 s LYS 93 CO 0.22 0.38 0.00 0.41 0.51 0.00 0.00 175.35 176.87 3h39 n GLY 94 N 1.93 1.18 2.25 -3.33 0.00 -1.26 -4.49 105.19 101.48 3h39 n GLY 94 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3h39 n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h39 n GLY 95 N -0.16 0.57 3.15 -0.02 0.00 -1.26 -4.99 105.19 102.48 3h39 n GLY 95 Ca 0.00 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 3h39 n GLY 95 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h39 s LEU 96 N -2.69 5.46 -0.25 0.99 2.96 -1.17 -4.76 118.68 119.21 3h39 s LEU 96 Ca 0.00 -2.19 -0.08 0.00 -0.22 0.00 0.00 54.13 51.64 3h39 s LEU 96 Cb 0.00 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 3h39 s LEU 96 CO 0.00 -0.56 0.10 -0.60 -1.32 0.00 0.00 176.35 173.97 3h39 s ARG 97 N 0.93 3.74 -0.41 1.98 3.52 -1.16 -1.08 118.95 126.47 3h39 s ARG 97 Ca 0.10 -0.43 -0.10 0.00 -0.13 0.00 0.00 55.73 55.16 3h39 s ARG 97 Cb -0.23 -3.40 0.06 0.00 -1.56 0.00 0.00 34.95 29.82 3h39 s ARG 97 CO -0.03 -0.17 0.25 -1.50 -0.81 0.00 0.00 175.30 173.04 3h39 s ILE 98 N 1.59 4.36 -0.11 4.11 -1.16 -0.17 -2.95 121.20 126.88 3h39 s ILE 98 Ca 0.06 -1.23 -0.15 0.00 -0.51 0.00 0.00 60.65 58.82 3h39 s ILE 98 Cb -0.15 -3.60 -0.05 0.00 0.61 0.00 0.00 42.46 39.27 3h39 s ILE 98 CO 0.05 -0.43 0.38 -1.81 -2.81 0.00 0.00 174.94 170.33 3h39 s ASP 99 N 1.98 6.61 -0.10 4.50 1.01 -0.93 -0.19 116.67 129.55 3h39 s ASP 99 Ca 0.03 0.72 0.04 0.00 0.71 0.00 0.00 52.55 54.04 3h39 s ASP 99 Cb -0.22 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.48 3h39 s ASP 99 CO 0.04 0.12 -0.22 -0.63 0.21 0.00 0.00 175.17 174.69 3h39 s ILE 100 N 0.13 1.94 0.22 0.77 1.01 0.30 0.31 121.20 125.88 3h39 s ILE 100 Ca 0.22 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.99 3h39 s ILE 100 Cb -0.15 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 3h39 s ILE 100 CO 0.08 0.53 -0.10 0.00 0.00 0.00 0.00 174.94 175.45 3h39 s ALA 101 N 0.44 2.00 -0.25 9.38 0.00 0.13 -0.86 121.76 132.60 3h39 s ALA 101 Ca -0.17 -1.71 -0.10 0.00 0.00 0.00 0.00 51.96 49.98 3h39 s ALA 101 Cb -0.17 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 3h39 s ALA 101 CO 0.07 -0.02 0.15 0.99 0.00 0.00 0.00 175.76 176.95 3h39 s THR 102 N -3.07 5.14 0.24 0.00 2.01 -1.23 -0.29 115.64 118.44 3h39 s THR 102 Ca 0.24 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 3h39 s THR 102 Cb 0.01 -3.41 -0.09 0.00 0.01 0.00 0.00 72.50 69.02 3h39 s THR 102 CO 0.07 0.32 1.10 0.00 -0.69 0.00 0.00 174.62 175.43 3h39 s ALA 103 N 1.32 3.40 0.94 7.40 0.00 -0.56 -4.94 121.76 129.32 3h39 s ALA 103 Ca 0.07 0.87 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 3h39 s ALA 103 Cb -0.15 -3.34 0.16 0.00 0.00 0.00 0.00 23.12 19.80 3h39 s ALA 103 CO 0.06 -0.18 1.12 -0.98 0.00 0.00 0.00 175.76 175.79 3h39 s ARG 104 N -1.04 0.88 0.00 0.00 1.70 -1.26 -4.67 118.95 114.56 3h39 s ARG 104 Ca 0.46 0.38 0.00 0.00 -0.47 0.00 0.00 55.73 56.11 3h39 s ARG 104 Cb -0.31 -1.80 0.00 0.00 -0.57 0.00 0.00 34.95 32.27 3h39 s ARG 104 CO 0.39 -2.39 0.00 1.28 -1.08 0.00 0.00 175.30 173.49 3h39 n LEU 105 N -3.92 0.00 -2.91 -1.89 4.32 -1.26 -4.96 117.00 106.38 3h39 n LEU 105 Ca 0.06 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.79 3h39 n LEU 105 Cb 0.58 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.35 3h39 n LEU 105 CO 0.57 0.00 0.13 0.47 -1.22 0.00 0.00 177.39 177.34 3h39 n ASP 116 N -0.48 4.28 -0.01 -1.43 8.00 -1.26 -5.05 116.55 120.60 3h39 n ASP 116 Ca 0.00 -3.65 0.05 0.00 0.71 0.00 0.00 54.79 51.91 3h39 n ASP 116 Cb 0.00 -0.55 0.44 0.00 -0.02 0.00 0.00 41.12 40.99 3h39 n ASP 116 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 3h39 h VAL 117 N 2.82 1.07 0.00 2.53 -1.51 -2.09 -3.46 116.25 115.61 3h39 h VAL 117 Ca 0.14 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 3h39 h VAL 117 Cb 0.58 0.50 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 3h39 h VAL 117 CO 0.80 0.10 0.00 -1.84 -1.23 0.00 0.00 177.57 175.40 3h39 n GLU 118 N -4.48 0.00 0.00 5.19 0.28 -1.26 -4.86 120.64 115.52 3h39 n GLU 118 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 3h39 n GLU 118 Cb 0.11 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.98 3h39 n GLU 118 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 3h39 n MET 119 N 0.00 0.99 -2.68 3.44 1.56 -1.26 -4.16 117.12 115.01 3h39 n MET 119 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 57.00 3h39 n MET 119 Cb 0.00 -1.19 0.00 0.00 2.15 0.00 0.00 33.22 34.19 3h39 n MET 119 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 3h39 n SER 120 N -0.31 5.32 0.00 6.12 7.64 -1.26 -3.80 113.62 127.34 3h39 n SER 120 Ca 0.00 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.78 3h39 n SER 120 Cb 0.09 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 3h39 n SER 120 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3h39 n THR 121 N 3.44 0.00 -0.06 0.44 -1.04 -1.26 -4.26 114.28 111.54 3h39 n THR 121 Ca 0.36 -0.16 -0.07 0.00 -2.04 0.00 0.00 64.05 62.15 3h39 n THR 121 Cb 0.38 0.65 0.11 0.00 -1.82 0.00 0.00 70.33 69.65 3h39 n THR 121 CO 0.00 0.00 0.00 0.16 -0.64 0.00 0.00 175.07 174.59 3h39 h ILE 122 N 0.00 1.27 -0.89 12.58 -0.00 -1.93 -2.32 117.51 126.21 3h39 h ILE 122 Ca 0.00 -1.34 0.13 0.00 -0.00 0.00 0.00 64.86 63.64 3h39 h ILE 122 Cb 0.00 1.26 -0.09 0.00 -0.00 0.00 0.00 36.82 38.00 3h39 h ILE 122 CO 0.00 0.44 0.51 0.50 -0.00 0.00 0.00 178.15 179.60 3h39 h LYS 123 N 0.61 0.76 0.00 0.16 3.64 -1.88 1.43 116.57 121.29 3h39 h LYS 123 Ca 0.08 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3h39 h LYS 123 Cb 0.74 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3h39 h LYS 123 CO 0.06 0.50 -0.26 0.87 -2.27 0.00 0.00 179.45 178.35 3h39 h LYS 124 N 0.78 0.00 -0.00 1.90 1.57 -1.74 0.48 116.57 119.56 3h39 h LYS 124 Ca 0.46 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.10 3h39 h LYS 124 Cb 0.54 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.86 3h39 h LYS 124 CO -0.30 0.26 -0.53 0.22 -0.57 0.00 0.00 179.45 178.53 3h39 h ASP 125 N 0.00 0.47 -0.54 0.86 3.58 0.10 -3.24 116.42 117.65 3h39 h ASP 125 Ca -0.00 -0.76 -0.11 0.00 0.42 0.00 0.00 57.03 56.57 3h39 h ASP 125 Cb 0.54 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 3h39 h ASP 125 CO 0.03 1.17 -0.10 -0.07 -2.88 0.00 0.00 179.24 177.39 3h39 h LEU 126 N -0.19 1.02 -1.65 2.28 4.07 0.18 -3.00 115.31 118.02 3h39 h LEU 126 Ca -0.07 -0.35 -0.04 0.00 0.08 0.00 0.00 57.88 57.50 3h39 h LEU 126 Cb 1.25 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 3h39 h LEU 126 CO 0.10 1.13 -0.20 0.22 -1.08 0.00 0.00 178.44 178.61 3h39 h TYR 127 N 0.89 0.00 0.00 1.13 5.03 -1.02 -2.22 116.97 120.78 3h39 h TYR 127 Ca 0.14 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.45 3h39 h TYR 127 Cb 0.67 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.95 3h39 h TYR 127 CO 0.05 0.20 0.00 0.54 -1.32 0.00 0.00 178.16 177.62 3h39 n ARG 128 N -3.87 0.74 -1.90 1.82 1.74 -1.13 -4.86 116.66 109.20 3h39 n ARG 128 Ca -0.02 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.90 3h39 n ARG 128 Cb 0.29 -1.45 0.08 0.00 -1.02 0.00 0.00 32.46 30.36 3h39 n ARG 128 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3h39 n ARG 129 N -0.95 0.08 -0.07 5.56 1.74 -0.84 -5.08 116.66 117.10 3h39 n ARG 129 Ca 0.16 -1.81 -0.05 0.00 -0.77 0.00 0.00 57.85 55.37 3h39 n ARG 129 Cb 0.07 -0.47 -0.02 0.00 -1.02 0.00 0.00 32.46 31.02 3h39 n ARG 129 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3h39 h ASP 130 N -0.44 0.00 -2.71 0.55 3.04 -1.89 -3.43 116.42 111.54 3h39 h ASP 130 Ca -0.23 -0.06 -0.53 0.00 -3.24 0.00 0.00 57.03 52.98 3h39 h ASP 130 Cb 0.82 0.00 -0.14 0.00 -1.04 0.00 0.00 39.33 38.97 3h39 h ASP 130 CO 0.24 0.78 -0.74 -0.36 -2.04 0.00 0.00 179.24 177.12 3h39 s PHE 131 N -2.13 2.00 0.33 4.15 0.08 -1.26 -3.58 117.98 117.57 3h39 s PHE 131 Ca -0.13 -0.48 0.01 0.00 0.12 0.00 0.00 56.93 56.45 3h39 s PHE 131 Cb 0.02 -0.93 0.57 0.00 -0.57 0.00 0.00 43.02 42.11 3h39 s PHE 131 CO 0.22 0.51 1.96 1.79 -0.10 0.00 0.00 175.22 179.60 3h39 h THR 132 N 2.39 1.18 0.00 0.64 1.35 -1.34 0.16 112.91 117.30 3h39 h THR 132 Ca -0.39 -0.45 -0.01 0.00 -0.55 0.00 0.00 66.41 65.01 3h39 h THR 132 Cb 1.24 0.36 -0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3h39 h THR 132 CO 0.62 0.20 -0.04 0.16 -0.25 0.00 0.00 175.52 176.21 3h39 h ILE 133 N 0.84 0.16 -0.52 6.82 3.07 -1.85 -2.04 117.51 123.98 3h39 h ILE 133 Ca 0.22 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 66.26 3h39 h ILE 133 Cb 0.01 1.31 0.00 0.00 -0.27 0.00 0.00 36.82 37.87 3h39 h ILE 133 CO -0.04 0.04 0.00 0.59 -1.05 0.00 0.00 178.15 177.69 3h39 n ASN 134 N -3.23 3.65 -1.90 2.16 3.02 0.54 -4.42 115.26 115.08 3h39 n ASN 134 Ca -0.01 -2.00 -0.22 0.00 -0.03 0.00 0.00 54.58 52.32 3h39 n ASN 134 Cb 0.21 -0.34 0.05 0.00 -0.61 0.00 0.00 39.78 39.09 3h39 n ASN 134 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h39 n ALA 135 N 1.56 5.04 -2.54 5.41 0.00 -0.77 -4.21 120.51 125.00 3h39 n ALA 135 Ca 0.21 -3.69 -0.26 0.00 0.00 0.00 0.00 53.44 49.71 3h39 n ALA 135 Cb 0.61 -0.51 -0.10 0.00 0.00 0.00 0.00 19.45 19.45 3h39 n ALA 135 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3h39 s MET 136 N -3.58 1.86 -0.02 0.00 -1.94 -1.26 -4.76 119.30 109.60 3h39 s MET 136 Ca 0.51 -1.89 -0.05 0.00 -1.71 0.00 0.00 55.69 52.56 3h39 s MET 136 Cb 0.42 -1.75 0.00 0.00 2.01 0.00 0.00 34.83 35.51 3h39 s MET 136 CO 0.02 0.16 0.11 0.00 -0.01 0.00 0.00 175.02 175.30 3h39 s ALA 137 N -2.58 -0.26 -0.23 3.03 0.00 -0.91 -3.25 121.76 117.56 3h39 s ALA 137 Ca 0.33 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.35 3h39 s ALA 137 Cb 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.10 3h39 s ALA 137 CO 0.17 -0.12 -0.09 0.42 0.00 0.00 0.00 175.76 176.14 3h39 s ILE 138 N -0.58 2.73 0.18 0.00 1.01 0.07 -0.08 121.20 124.53 3h39 s ILE 138 Ca -0.07 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.34 3h39 s ILE 138 Cb -0.04 -2.32 -0.08 0.00 0.01 0.00 0.00 42.46 40.03 3h39 s ILE 138 CO 0.00 0.30 1.21 -0.75 0.00 0.00 0.00 174.94 175.71 3h39 s LYS 139 N 1.33 4.48 -0.00 2.79 2.20 -0.36 -1.32 119.74 128.87 3h39 s LYS 139 Ca 0.02 1.88 0.11 0.00 -0.36 0.00 0.00 55.97 57.62 3h39 s LYS 139 Cb -0.16 -3.24 -0.12 0.00 -1.51 0.00 0.00 37.83 32.80 3h39 s LYS 139 CO -0.06 -0.12 0.44 1.28 -0.36 0.00 0.00 175.35 176.53 3h39 n LEU 140 N 2.62 0.47 -4.76 5.43 4.77 0.02 -3.71 117.00 121.84 3h39 n LEU 140 Ca 0.05 -0.48 -0.41 0.00 -0.03 0.00 0.00 56.01 55.14 3h39 n LEU 140 Cb 0.45 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 3h39 n LEU 140 CO 0.56 0.12 1.20 0.20 -1.33 0.00 0.00 177.39 178.13 3h39 s ASN 141 N -2.06 6.35 0.30 -1.43 0.01 -1.26 -3.93 114.94 112.93 3h39 s ASN 141 Ca 0.04 3.01 0.05 0.00 -0.71 0.00 0.00 52.86 55.24 3h39 s ASN 141 Cb 0.08 -2.65 0.78 0.00 0.41 0.00 0.00 41.25 39.86 3h39 s ASN 141 CO 0.44 -0.90 1.68 -0.65 -1.51 0.00 0.00 177.10 176.16 3h39 h PRO 142 N 3.94 0.34 -0.67 -0.60 0.11 -1.90 -0.59 132.00 132.63 3h39 h PRO 142 Ca -0.49 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.70 3h39 h PRO 142 Cb 1.23 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 32.19 3h39 h PRO 142 CO 0.72 0.22 0.28 -0.22 -0.21 0.00 0.00 178.00 178.79 3h39 h LYS 143 N 0.35 0.46 -0.69 1.05 3.64 -1.96 -2.82 116.57 116.60 3h39 h LYS 143 Ca 0.58 -0.03 -0.49 0.00 -1.27 0.00 0.00 60.65 59.44 3h39 h LYS 143 Cb 1.16 -0.10 -0.35 0.00 -0.41 0.00 0.00 32.23 32.52 3h39 h LYS 143 CO -0.57 0.30 -0.52 -0.25 -2.27 0.00 0.00 179.45 176.14 3h39 n ASP 144 N -4.96 4.83 -0.32 4.20 10.43 -0.31 -4.94 116.55 125.48 3h39 n ASP 144 Ca 0.10 -3.77 0.14 0.00 2.57 0.00 0.00 54.79 53.83 3h39 n ASP 144 Cb 0.30 -0.46 0.32 0.00 1.84 0.00 0.00 41.12 43.12 3h39 n ASP 144 CO 0.00 0.00 0.00 0.15 -1.07 0.00 0.00 177.20 176.28 3h39 h PHE 145 N 1.97 0.79 -0.62 1.24 3.04 -1.08 -1.82 116.94 120.48 3h39 h PHE 145 Ca 0.36 0.04 -0.06 0.00 3.98 0.00 0.00 57.97 62.28 3h39 h PHE 145 Cb 1.41 -0.21 -0.04 0.00 2.56 0.00 0.00 35.95 39.67 3h39 h PHE 145 CO 0.93 0.03 0.08 0.41 -2.02 0.00 0.00 178.31 177.74 3h39 n GLY 146 N -1.33 3.15 3.63 2.40 0.00 -1.25 -4.24 105.19 107.54 3h39 n GLY 146 Ca 0.23 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 3h39 n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h39 s LEU 147 N -2.78 3.83 -0.28 0.99 2.96 -0.68 -1.61 118.68 121.11 3h39 s LEU 147 Ca 0.54 1.13 -0.24 0.00 -0.22 0.00 0.00 54.13 55.35 3h39 s LEU 147 Cb 0.42 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.56 3h39 s LEU 147 CO 0.15 -1.13 0.79 -0.22 -1.32 0.00 0.00 176.35 174.62 3h39 s LEU 148 N 4.51 4.08 -0.35 -0.68 1.98 0.10 -1.22 118.68 127.11 3h39 s LEU 148 Ca 0.57 0.82 -0.06 0.00 -2.89 0.00 0.00 54.13 52.56 3h39 s LEU 148 Cb -0.16 -3.10 0.05 0.00 0.66 0.00 0.00 46.19 43.64 3h39 s LEU 148 CO 0.25 -0.55 0.12 -0.63 -1.89 0.00 0.00 176.35 173.64 3h39 s ILE 149 N 2.87 3.66 -0.42 6.68 1.01 0.88 -1.88 121.20 134.01 3h39 s ILE 149 Ca 0.33 -1.30 0.04 0.00 0.00 0.00 0.00 60.65 59.72 3h39 s ILE 149 Cb -0.15 -3.14 0.17 0.00 0.01 0.00 0.00 42.46 39.35 3h39 s ILE 149 CO 0.10 -0.26 0.33 -0.62 0.00 0.00 0.00 174.94 174.49 3h39 s ASP 150 N 1.52 1.78 0.40 3.58 2.15 -0.72 -2.15 116.67 123.23 3h39 s ASP 150 Ca -0.01 -3.00 0.19 0.00 0.43 0.00 0.00 52.55 50.16 3h39 s ASP 150 Cb -0.20 -0.50 0.81 0.00 -0.30 0.00 0.00 42.92 42.73 3h39 s ASP 150 CO 0.01 -0.18 1.81 -0.26 -0.17 0.00 0.00 175.17 176.38 3h39 h PHE 151 N 5.79 0.00 -0.50 -5.34 0.04 -1.86 -3.37 116.94 111.71 3h39 h PHE 151 Ca 0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 3h39 h PHE 151 Cb 0.91 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.06 3h39 h PHE 151 CO 0.31 0.33 0.00 1.19 -0.60 0.00 0.00 178.31 179.54 3h39 n PHE 152 N -3.65 0.69 -2.44 -0.55 3.72 -1.26 -4.95 117.46 109.02 3h39 n PHE 152 Ca -0.01 -0.51 -0.05 0.00 -0.05 0.00 0.00 57.45 56.83 3h39 n PHE 152 Cb 0.45 -0.03 0.01 0.00 -0.94 0.00 0.00 39.48 38.97 3h39 n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h39 n GLY 153 N 0.93 0.42 0.17 1.37 0.00 -1.26 -4.91 105.19 101.90 3h39 n GLY 153 Ca 0.17 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.66 3h39 n GLY 153 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h39 h GLY 154 N -0.32 0.00 0.58 -0.02 0.00 -1.87 -2.41 103.07 99.03 3h39 h GLY 154 Ca -0.12 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 3h39 h GLY 154 CO 0.13 0.00 -0.02 -1.82 0.00 0.00 0.00 176.54 174.83 3h39 h TYR 155 N 0.00 -0.04 -0.46 5.60 3.20 -1.92 -0.03 116.97 123.32 3h39 h TYR 155 Ca -0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3h39 h TYR 155 Cb 1.17 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 3h39 h TYR 155 CO 0.00 0.37 -0.01 0.07 -1.64 0.00 0.00 178.16 176.95 3h39 h ARG 156 N -0.46 0.77 0.00 1.82 0.11 -1.97 -1.87 114.38 112.77 3h39 h ARG 156 Ca -0.00 -0.21 -0.03 0.00 0.10 0.00 0.00 59.98 59.83 3h39 h ARG 156 Cb 0.43 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 31.42 3h39 h ARG 156 CO 0.01 0.79 -0.16 -0.44 0.10 0.00 0.00 179.97 180.26 3h39 h ASP 157 N 0.72 0.00 -0.16 0.08 3.45 -1.28 0.14 116.42 119.37 3h39 h ASP 157 Ca 0.14 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.42 3h39 h ASP 157 Cb 0.46 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.23 3h39 h ASP 157 CO 0.02 0.16 -0.57 -0.07 -1.57 0.00 0.00 179.24 177.22 3h39 h LEU 158 N 0.00 0.85 -0.78 1.55 3.38 -0.38 0.18 115.31 120.11 3h39 h LEU 158 Ca -0.00 -0.47 -0.12 0.00 0.09 0.00 0.00 57.88 57.38 3h39 h LEU 158 Cb 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3h39 h LEU 158 CO 0.02 1.24 -0.39 0.11 0.09 0.00 0.00 178.44 179.51 3h39 h LYS 159 N 0.58 0.46 -0.57 1.13 1.79 -0.24 -3.01 116.57 116.70 3h39 h LYS 159 Ca 0.01 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 3h39 h LYS 159 Cb 1.16 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 3h39 h LYS 159 CO 0.12 0.78 0.00 0.39 -1.08 0.00 0.00 179.45 179.66 3h39 n GLU 160 N -4.04 2.48 -3.73 3.15 1.02 0.29 -4.98 120.64 114.84 3h39 n GLU 160 Ca -0.01 -2.29 -0.26 0.00 -0.02 0.00 0.00 57.16 54.58 3h39 n GLU 160 Cb 0.49 -1.51 0.02 0.00 -0.02 0.00 0.00 31.44 30.43 3h39 n GLU 160 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h39 n GLY 161 N 1.52 -0.57 3.31 0.62 0.00 -0.75 -4.89 105.19 104.43 3h39 n GLY 161 Ca 0.21 0.28 -0.32 0.00 0.00 0.00 0.00 46.02 46.19 3h39 n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h39 s VAL 162 N -3.66 2.51 -0.28 1.61 1.01 0.56 -1.70 120.40 120.45 3h39 s VAL 162 Ca 0.20 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 3h39 s VAL 162 Cb -0.06 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3h39 s VAL 162 CO 0.85 0.55 0.31 -0.63 0.00 0.00 0.00 175.10 176.18 3h39 s ILE 163 N 0.08 5.22 -0.07 2.22 1.09 -1.02 -4.71 121.20 124.01 3h39 s ILE 163 Ca -0.09 0.38 -0.03 0.00 -1.10 0.00 0.00 60.65 59.82 3h39 s ILE 163 Cb -0.15 -3.65 0.04 0.00 -1.06 0.00 0.00 42.46 37.63 3h39 s ILE 163 CO 0.05 0.16 0.15 -0.60 -0.10 0.00 0.00 174.94 174.61 3h39 s ARG 164 N 1.96 0.09 0.53 2.79 3.52 -1.26 -2.44 118.95 124.14 3h39 s ARG 164 Ca 0.12 0.40 -0.19 0.00 -0.13 0.00 0.00 55.73 55.93 3h39 s ARG 164 Cb -0.16 -0.19 -0.06 0.00 -1.56 0.00 0.00 34.95 32.98 3h39 s ARG 164 CO 0.10 -0.18 1.07 0.14 -0.81 0.00 0.00 175.30 175.62 3h39 s VAL 165 N 1.30 3.62 0.34 7.11 -7.23 -1.26 -0.91 120.40 123.37 3h39 s VAL 165 Ca -0.08 0.94 0.14 0.00 -1.81 0.00 0.00 61.98 61.17 3h39 s VAL 165 Cb -0.12 -3.38 0.09 0.00 0.56 0.00 0.00 36.38 33.53 3h39 s VAL 165 CO -0.06 -0.28 1.80 -0.07 -0.31 0.00 0.00 175.10 176.17 3h39 h LEU 166 N 1.17 0.00 -7.11 1.32 3.38 -1.84 -3.45 115.31 108.77 3h39 h LEU 166 Ca -0.49 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 3h39 h LEU 166 Cb 1.23 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.81 3h39 h LEU 166 CO 0.58 0.40 0.10 -1.38 0.09 0.00 0.00 178.44 178.23 3h39 s HIS 167 N -4.03 -0.51 0.44 1.13 -3.43 -1.26 -5.06 115.29 102.56 3h39 s HIS 167 Ca -0.02 0.68 0.31 0.00 -0.80 0.00 0.00 55.06 55.22 3h39 s HIS 167 Cb 0.14 0.39 1.45 0.00 -1.43 0.00 0.00 32.58 33.12 3h39 s HIS 167 CO 0.72 -0.65 1.61 1.15 -2.00 0.00 0.00 174.74 175.57 3h39 h THR 168 N 2.80 0.08 -0.51 -5.38 2.02 -2.01 -1.73 112.91 108.19 3h39 h THR 168 Ca -0.30 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3h39 h THR 168 Cb 1.20 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3h39 h THR 168 CO 0.40 0.01 0.00 0.18 0.37 0.00 0.00 175.52 176.48 3h39 n LEU 169 N -4.71 3.07 -0.11 2.58 4.77 -1.26 -4.60 117.00 116.73 3h39 n LEU 169 Ca 0.38 -1.47 -0.10 0.00 -0.03 0.00 0.00 56.01 54.78 3h39 n LEU 169 Cb 1.48 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 42.18 3h39 n LEU 169 CO 0.20 0.74 0.57 -1.28 -1.33 0.00 0.00 177.39 176.29 3h39 h SER 170 N 3.52 -1.44 0.28 -1.43 0.87 -1.72 -0.88 113.55 112.76 3h39 h SER 170 Ca 0.00 0.21 -0.14 0.00 -1.23 0.00 0.00 61.79 60.64 3h39 h SER 170 Cb 0.80 0.62 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 3h39 h SER 170 CO 0.00 -0.38 -0.55 -0.26 -0.53 0.00 0.00 176.83 175.11 3h39 h PHE 171 N -0.35 0.35 -0.72 2.24 0.04 -1.81 -2.46 116.94 114.23 3h39 h PHE 171 Ca 0.13 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 3h39 h PHE 171 Cb 0.59 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 3h39 h PHE 171 CO -0.61 0.77 0.38 0.28 -0.60 0.00 0.00 178.31 178.53 3h39 h VAL 172 N 0.22 1.22 -0.37 -0.55 2.07 -1.79 -1.42 116.25 115.63 3h39 h VAL 172 Ca 0.00 -0.55 -0.17 0.00 0.82 0.00 0.00 66.70 66.80 3h39 h VAL 172 Cb 1.03 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3h39 h VAL 172 CO 0.09 0.24 -0.41 0.44 0.02 0.00 0.00 177.57 177.95 3h39 h ASP 173 N 1.00 1.00 -2.33 0.57 3.45 -0.89 -3.41 116.42 115.82 3h39 h ASP 173 Ca 0.25 -0.48 -0.39 0.00 0.43 0.00 0.00 57.03 56.84 3h39 h ASP 173 Cb 0.04 -0.28 -0.35 0.00 -0.56 0.00 0.00 39.33 38.17 3h39 h ASP 173 CO -0.04 1.28 -0.68 -0.62 -1.57 0.00 0.00 179.24 177.60 3h39 s ASP 174 N -6.86 2.21 0.00 6.45 -1.08 -0.95 -4.98 116.67 111.46 3h39 s ASP 174 Ca -0.11 -0.99 0.17 0.00 -0.52 0.00 0.00 52.55 51.10 3h39 s ASP 174 Cb 0.11 0.24 0.83 0.00 -1.46 0.00 0.00 42.92 42.65 3h39 s ASP 174 CO 0.88 -0.40 1.51 -2.65 0.52 0.00 0.00 175.17 175.04 3h39 n PRO 175 N 5.21 0.20 0.25 4.34 -0.02 -0.55 -2.19 135.00 142.24 3h39 n PRO 175 Ca -0.02 0.14 0.12 0.00 -2.02 0.00 0.00 63.50 61.72 3h39 n PRO 175 Cb 0.45 -1.50 0.63 0.00 -0.02 0.00 0.00 33.50 33.06 3h39 n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h39 h THR 176 N 0.00 0.48 0.00 3.45 1.03 -1.94 -1.18 112.91 114.75 3h39 h THR 176 Ca 0.00 -0.76 0.00 0.00 -0.01 0.00 0.00 66.41 65.64 3h39 h THR 176 Cb 0.18 1.53 0.00 0.00 -1.07 0.00 0.00 68.15 68.79 3h39 h THR 176 CO 0.00 0.15 0.00 0.03 -0.01 0.00 0.00 175.52 175.69 3h39 h ARG 177 N 0.00 0.00 -0.29 0.00 3.08 -1.79 -2.24 114.38 113.14 3h39 h ARG 177 Ca -0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3h39 h ARG 177 Cb 0.51 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 3h39 h ARG 177 CO 0.02 0.00 0.02 0.82 -1.07 0.00 0.00 179.97 179.76 3h39 h ILE 178 N 0.00 0.81 -0.23 2.04 2.04 -1.41 0.17 117.51 120.93 3h39 h ILE 178 Ca 0.00 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3h39 h ILE 178 Cb 0.55 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3h39 h ILE 178 CO 0.00 0.02 0.01 -0.07 0.00 0.00 0.00 178.15 178.11 3h39 h LEU 179 N 0.11 0.39 -0.38 1.44 3.38 -1.60 -3.16 115.31 115.49 3h39 h LEU 179 Ca 0.14 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.86 3h39 h LEU 179 Cb 0.18 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3h39 h LEU 179 CO -0.22 0.60 0.11 0.03 0.09 0.00 0.00 178.44 179.05 3h39 h ARG 180 N 0.17 0.25 -0.55 1.13 3.08 -1.09 -2.17 114.38 115.20 3h39 h ARG 180 Ca 0.07 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.21 3h39 h ARG 180 Cb 0.39 -0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.30 3h39 h ARG 180 CO 0.01 0.16 0.04 0.00 -1.07 0.00 0.00 179.97 179.12 3h39 h ALA 181 N 1.26 0.58 -0.37 0.04 0.00 -0.66 -1.75 119.26 118.36 3h39 h ALA 181 Ca 0.18 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 3h39 h ALA 181 Cb 0.18 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3h39 h ALA 181 CO -0.20 -0.36 0.03 0.82 0.00 0.00 0.00 179.25 179.54 3h39 h ILE 182 N 0.16 1.25 -0.55 0.00 2.04 -1.45 -1.16 117.51 117.81 3h39 h ILE 182 Ca 0.29 -0.92 0.08 0.00 1.00 0.00 0.00 64.86 65.30 3h39 h ILE 182 Cb 0.44 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 3h39 h ILE 182 CO -0.43 0.31 0.21 -0.09 0.00 0.00 0.00 178.15 178.14 3h39 h ARG 183 N 0.47 0.38 -0.09 2.37 2.43 -0.80 -1.56 114.38 117.59 3h39 h ARG 183 Ca 0.11 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 3h39 h ARG 183 Cb 0.41 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3h39 h ARG 183 CO 0.01 0.25 -0.47 0.74 -1.51 0.00 0.00 179.97 179.00 3h39 h PHE 184 N 0.39 0.63 -0.25 2.20 0.05 -1.29 -0.81 116.94 117.86 3h39 h PHE 184 Ca 0.27 -0.28 0.07 0.00 3.82 0.00 0.00 57.97 61.85 3h39 h PHE 184 Cb 0.30 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 38.14 3h39 h PHE 184 CO -0.16 1.06 0.23 1.49 -0.18 0.00 0.00 178.31 180.75 3h39 h GLU 185 N 0.03 0.00 0.00 1.51 4.81 -1.11 -2.26 114.58 117.55 3h39 h GLU 185 Ca -0.03 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.94 3h39 h GLU 185 Cb 1.12 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 3h39 h GLU 185 CO 0.10 0.00 -1.62 1.04 -0.73 0.00 0.00 179.01 177.80 3h39 n GLN 186 N -4.02 0.63 -0.05 1.92 1.13 -0.59 -2.64 117.38 113.75 3h39 n GLN 186 Ca 0.03 0.28 -0.11 0.00 -1.94 0.00 0.00 57.00 55.25 3h39 n GLN 186 Cb 0.38 -1.80 -0.06 0.00 0.11 0.00 0.00 30.24 28.87 3h39 n GLN 186 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 3h39 h ARG 187 N 0.00 0.27 -6.16 -1.09 2.43 -0.73 -3.41 114.38 105.69 3h39 h ARG 187 Ca -0.25 -0.08 -0.65 0.00 -0.81 0.00 0.00 59.98 58.20 3h39 h ARG 187 Cb 1.88 -0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 31.30 3h39 h ARG 187 CO 0.07 0.45 -0.61 -0.06 -1.51 0.00 0.00 179.97 178.31 3h39 s PHE 188 N -5.13 3.17 -1.37 2.20 0.40 -0.89 -4.97 117.98 111.39 3h39 s PHE 188 Ca -0.14 0.09 -0.07 0.00 -0.60 0.00 0.00 56.93 56.21 3h39 s PHE 188 Cb 0.06 -1.64 0.09 0.00 0.51 0.00 0.00 43.02 42.04 3h39 s PHE 188 CO 0.71 0.51 2.39 -0.25 0.70 0.00 0.00 175.22 179.28 3h39 n ASP 189 N 0.75 7.46 -4.93 1.36 9.92 -1.26 -4.52 116.55 125.34 3h39 n ASP 189 Ca -0.11 -3.03 -0.23 0.00 -0.53 0.00 0.00 54.79 50.89 3h39 n ASP 189 Cb 0.52 -1.43 0.06 0.00 -0.64 0.00 0.00 41.12 39.63 3h39 n ASP 189 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3h39 s PHE 190 N -0.12 2.80 -0.05 1.24 2.99 -1.08 -5.03 117.98 118.73 3h39 s PHE 190 Ca 0.54 0.19 0.03 0.00 0.00 0.00 0.00 56.93 57.69 3h39 s PHE 190 Cb 0.17 -2.99 0.00 0.00 0.00 0.00 0.00 43.02 40.20 3h39 s PHE 190 CO -0.07 -1.19 -0.14 -0.98 -0.00 0.00 0.00 175.22 172.84 3h39 s ARG 191 N -5.02 1.59 -0.11 0.44 1.70 -0.69 -4.68 118.95 112.18 3h39 s ARG 191 Ca 0.59 -0.48 -0.29 0.00 -0.47 0.00 0.00 55.73 55.08 3h39 s ARG 191 Cb -0.10 -1.37 -0.06 0.00 -0.57 0.00 0.00 34.95 32.85 3h39 s ARG 191 CO 0.42 0.14 1.95 0.42 -1.08 0.00 0.00 175.30 177.15 3h39 s ILE 192 N 0.29 3.20 0.84 4.99 1.01 -1.26 -2.44 121.20 127.83 3h39 s ILE 192 Ca -0.08 0.23 -0.12 0.00 0.00 0.00 0.00 60.65 60.69 3h39 s ILE 192 Cb -0.12 -3.20 0.10 0.00 0.01 0.00 0.00 42.46 39.25 3h39 s ILE 192 CO 0.02 -0.08 1.17 -1.83 0.00 0.00 0.00 174.94 174.22 3h39 s GLU 193 N 5.11 1.48 0.11 2.79 4.04 -1.02 -4.62 118.70 126.59 3h39 s GLU 193 Ca 0.88 1.60 -0.25 0.00 0.04 0.00 0.00 54.97 57.23 3h39 s GLU 193 Cb -0.35 -1.77 -0.07 0.00 0.02 0.00 0.00 34.13 31.95 3h39 s GLU 193 CO 0.36 -2.30 1.43 1.49 -1.84 0.00 0.00 175.26 174.40 3h39 h GLU 194 N -1.29 -0.16 -0.38 -4.83 4.81 -1.93 -1.48 114.58 109.32 3h39 h GLU 194 Ca -0.45 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.85 3h39 h GLU 194 Cb 1.28 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 3h39 h GLU 194 CO 0.45 -0.11 0.07 1.15 -0.73 0.00 0.00 179.01 179.84 3h39 h THR 195 N -0.17 0.80 -0.95 0.32 2.02 -1.98 -0.50 112.91 112.45 3h39 h THR 195 Ca 0.09 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.21 3h39 h THR 195 Cb 0.40 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 3h39 h THR 195 CO -0.60 0.04 0.63 0.74 0.37 0.00 0.00 175.52 176.70 3h39 h THR 196 N 0.20 1.24 -0.60 3.16 2.02 -1.81 -1.54 112.91 115.57 3h39 h THR 196 Ca 0.18 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 3h39 h THR 196 Cb 0.21 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 3h39 h THR 196 CO -0.24 0.23 0.27 -0.08 0.37 0.00 0.00 175.52 176.07 3h39 h GLU 197 N 1.28 0.88 0.09 6.66 4.81 -0.08 0.94 114.58 129.16 3h39 h GLU 197 Ca 0.35 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3h39 h GLU 197 Cb -0.14 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.07 3h39 h GLU 197 CO -0.08 0.72 -0.16 -0.09 -0.73 0.00 0.00 179.01 178.67 3h39 h ARG 198 N 0.83 -0.31 -0.22 1.92 2.43 -0.95 0.13 114.38 118.21 3h39 h ARG 198 Ca 0.20 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.45 3h39 h ARG 198 Cb 0.15 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 3h39 h ARG 198 CO -0.02 -0.20 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.05 3h39 h LEU 199 N -0.32 -0.37 -0.08 3.80 4.07 -0.81 0.50 115.31 122.10 3h39 h LEU 199 Ca 0.02 0.09 0.02 0.00 0.08 0.00 0.00 57.88 58.09 3h39 h LEU 199 Cb 0.34 0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 3h39 h LEU 199 CO -0.09 -0.15 -0.03 0.25 -1.08 0.00 0.00 178.44 177.34 3h39 h LEU 200 N -0.09 -0.11 -0.59 1.67 6.46 0.11 -1.57 115.31 121.18 3h39 h LEU 200 Ca 0.12 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.98 3h39 h LEU 200 Cb 0.27 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.21 3h39 h LEU 200 CO -0.28 -0.05 0.28 0.11 -0.62 0.00 0.00 178.44 177.89 3h39 h LYS 201 N -0.03 0.51 -0.70 1.25 1.57 -0.57 -2.34 116.57 116.26 3h39 h LYS 201 Ca 0.04 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3h39 h LYS 201 Cb 0.09 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3h39 h LYS 201 CO -0.10 0.33 0.25 0.37 -0.57 0.00 0.00 179.45 179.74 3h39 h GLN 202 N 0.52 1.07 -0.48 3.15 4.15 -0.45 -0.74 115.11 122.34 3h39 h GLN 202 Ca 0.28 -0.21 -0.11 0.00 0.77 0.00 0.00 58.65 59.38 3h39 h GLN 202 Cb 0.25 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3h39 h GLN 202 CO -0.22 0.90 -0.12 0.00 -1.93 0.00 0.00 178.83 177.46 3h39 h ALA 203 N 1.12 0.87 0.43 3.38 0.00 -1.02 -1.56 119.26 122.48 3h39 h ALA 203 Ca 0.23 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3h39 h ALA 203 Cb 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h39 h ALA 203 CO -0.01 0.64 -0.21 0.28 0.00 0.00 0.00 179.25 179.95 3h39 h VAL 204 N 0.80 0.58 -0.92 0.00 2.07 -1.15 -0.95 116.25 116.69 3h39 h VAL 204 Ca 0.13 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.65 3h39 h VAL 204 Cb 0.65 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 3h39 h VAL 204 CO 0.05 0.01 0.60 -0.08 0.02 0.00 0.00 177.57 178.17 3h39 h GLU 205 N -0.62 0.96 0.00 1.57 4.81 -0.95 -2.66 114.58 117.70 3h39 h GLU 205 Ca -0.06 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3h39 h GLU 205 Cb 0.46 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3h39 h GLU 205 CO 0.10 0.64 -0.06 0.93 -0.73 0.00 0.00 179.01 179.89 3h39 h GLU 206 N 0.99 0.00 0.00 1.92 5.08 -1.24 -3.47 114.58 117.86 3h39 h GLU 206 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3h39 h GLU 206 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3h39 h GLU 206 CO -0.17 0.06 0.00 0.41 -1.00 0.00 0.00 179.01 178.30 3h39 n GLY 207 N 0.88 1.55 0.31 -3.84 0.00 -1.00 -5.05 105.19 98.04 3h39 n GLY 207 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 3h39 n GLY 207 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3h39 h TYR 208 N 0.00 1.02 -0.53 1.61 0.05 -1.36 -0.46 116.97 117.30 3h39 h TYR 208 Ca 0.00 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.83 3h39 h TYR 208 Cb 0.00 -0.35 -0.04 0.00 1.01 0.00 0.00 36.73 37.36 3h39 h TYR 208 CO 0.00 0.64 0.31 -0.07 -1.05 0.00 0.00 178.16 178.00 3h39 h LEU 209 N 1.10 0.50 -1.65 3.88 4.07 -1.86 -1.67 115.31 119.68 3h39 h LEU 209 Ca 0.30 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.27 3h39 h LEU 209 Cb -0.13 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.52 3h39 h LEU 209 CO -0.06 0.35 0.00 1.05 -1.08 0.00 0.00 178.44 178.69 3h39 h GLU 210 N 0.62 0.00 0.00 1.13 9.09 -1.36 -0.04 114.58 124.02 3h39 h GLU 210 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.63 3h39 h GLU 210 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 3h39 h GLU 210 CO -0.11 0.00 -0.07 -2.13 0.05 0.00 0.00 179.01 176.75 3h39 n ARG 211 N -2.92 0.00 -4.10 1.06 0.63 -0.33 -4.87 116.66 106.12 3h39 n ARG 211 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.65 3h39 n ARG 211 Cb 0.23 -1.50 -0.07 0.00 0.45 0.00 0.00 32.46 31.57 3h39 n ARG 211 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3h39 s THR 212 N -3.00 4.27 0.54 5.15 -1.32 -0.03 -5.07 115.64 116.17 3h39 s THR 212 Ca 0.14 -1.01 -0.21 0.00 -1.21 0.00 0.00 61.69 59.39 3h39 s THR 212 Cb 0.19 -3.10 -0.05 0.00 -1.51 0.00 0.00 72.50 68.03 3h39 s THR 212 CO 0.56 0.02 1.27 0.42 -2.21 0.00 0.00 174.62 174.67 3h39 s THR 213 N -1.52 2.49 0.14 5.08 -4.23 -1.26 -4.86 115.64 111.48 3h39 s THR 213 Ca 0.29 0.35 -0.28 0.00 -1.18 0.00 0.00 61.69 60.87 3h39 s THR 213 Cb -0.11 -3.17 -0.03 0.00 1.34 0.00 0.00 72.50 70.52 3h39 s THR 213 CO 0.21 -0.02 1.59 1.23 -0.54 0.00 0.00 174.62 177.09 3h39 h GLY 214 N 1.46 -0.60 0.04 3.99 0.00 -1.95 -2.32 103.07 103.68 3h39 h GLY 214 Ca -0.50 0.49 0.15 0.00 0.00 0.00 0.00 47.33 47.46 3h39 h GLY 214 CO 0.57 -0.22 0.22 -2.55 0.00 0.00 0.00 176.54 174.56 3h39 h PRO 215 N -0.44 0.32 -0.41 4.80 0.11 -1.92 0.15 132.00 134.61 3h39 h PRO 215 Ca 0.09 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.06 3h39 h PRO 215 Cb 0.60 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 3h39 h PRO 215 CO -0.42 0.21 -0.23 0.00 -0.21 0.00 0.00 178.00 177.36 3h39 h ARG 216 N 0.33 0.89 -0.38 1.05 3.08 -1.86 -2.46 114.38 115.03 3h39 h ARG 216 Ca 0.40 -0.40 0.06 0.00 0.07 0.00 0.00 59.98 60.12 3h39 h ARG 216 Cb 0.66 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.63 3h39 h ARG 216 CO -0.46 1.05 0.05 -0.07 -1.07 0.00 0.00 179.97 179.47 3h39 h LEU 217 N 0.71 -0.04 -0.74 3.04 4.07 -0.87 -2.18 115.31 119.29 3h39 h LEU 217 Ca 0.09 0.07 0.07 0.00 0.08 0.00 0.00 57.88 58.19 3h39 h LEU 217 Cb 0.80 0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.58 3h39 h LEU 217 CO 0.07 0.01 0.42 -0.09 -1.08 0.00 0.00 178.44 177.77 3h39 h ARG 218 N 0.17 0.72 -0.38 1.13 2.43 -0.53 -0.41 114.38 117.51 3h39 h ARG 218 Ca 0.18 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3h39 h ARG 218 Cb 0.23 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3h39 h ARG 218 CO -0.26 0.48 -0.03 0.37 -1.51 0.00 0.00 179.97 179.02 3h39 h GLN 219 N 0.74 0.69 0.00 0.20 4.15 -1.22 0.11 115.11 119.78 3h39 h GLN 219 Ca 0.34 -0.23 -0.06 0.00 0.77 0.00 0.00 58.65 59.47 3h39 h GLN 219 Cb 0.26 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3h39 h GLN 219 CO -0.21 0.81 -0.29 0.93 -1.93 0.00 0.00 178.83 178.13 3h39 h GLU 220 N 0.51 0.00 -0.26 1.69 4.39 -1.00 -1.23 114.58 118.68 3h39 h GLU 220 Ca 0.10 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 3h39 h GLU 220 Cb 0.51 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3h39 h GLU 220 CO 0.03 0.29 -0.32 1.25 -1.16 0.00 0.00 179.01 179.09 3h39 h LEU 221 N 0.00 0.73 -0.50 1.33 5.85 -0.66 -2.81 115.31 119.25 3h39 h LEU 221 Ca -0.00 -0.50 -0.08 0.00 0.84 0.00 0.00 57.88 58.14 3h39 h LEU 221 Cb 0.52 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3h39 h LEU 221 CO 0.04 1.08 0.02 -0.33 -0.34 0.00 0.00 178.44 178.91 3h39 h GLU 222 N 0.40 0.88 -0.48 1.25 5.08 -0.48 -2.41 114.58 118.82 3h39 h GLU 222 Ca 0.03 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3h39 h GLU 222 Cb 0.90 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 3h39 h GLU 222 CO 0.08 0.90 0.32 -0.22 -1.00 0.00 0.00 179.01 179.08 3h39 h LYS 223 N 0.74 0.57 -0.49 2.33 1.63 -1.25 -0.33 116.57 119.77 3h39 h LYS 223 Ca 0.14 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.82 3h39 h LYS 223 Cb 0.49 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 3h39 h LYS 223 CO 0.02 0.38 -0.05 0.82 -3.45 0.00 0.00 179.45 177.16 3h39 h ILE 224 N 0.59 1.27 0.00 2.00 2.04 -1.21 -2.79 117.51 119.41 3h39 h ILE 224 Ca 0.18 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3h39 h ILE 224 Cb 0.02 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3h39 h ILE 224 CO -0.04 0.41 0.00 -0.07 0.00 0.00 0.00 178.15 178.44 3h39 h LEU 225 N 0.77 0.00 -1.47 1.44 3.38 -0.67 -2.25 115.31 116.51 3h39 h LEU 225 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3h39 h LEU 225 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3h39 h LEU 225 CO 0.04 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.95 3h39 n GLU 226 N -2.61 2.01 -2.41 1.13 1.02 -0.28 -4.85 120.64 114.66 3h39 n GLU 226 Ca 0.01 -1.31 -0.25 0.00 -0.02 0.00 0.00 57.16 55.60 3h39 n GLU 226 Cb 0.26 -1.39 0.11 0.00 -0.02 0.00 0.00 31.44 30.40 3h39 n GLU 226 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3h39 s GLU 227 N -1.59 1.63 0.03 3.49 0.41 -0.85 -5.01 118.70 116.81 3h39 s GLU 227 Ca 0.24 -0.82 -0.24 0.00 -0.41 0.00 0.00 54.97 53.73 3h39 s GLU 227 Cb 0.14 -2.23 -0.18 0.00 -1.78 0.00 0.00 34.13 30.08 3h39 s GLU 227 CO 0.14 -1.53 1.46 0.87 -0.49 0.00 0.00 175.26 175.71 3h39 h LYS 228 N -0.70 0.02 -2.77 1.61 1.57 -1.92 -3.37 116.57 111.02 3h39 h LYS 228 Ca -0.40 -0.01 -0.61 0.00 -1.87 0.00 0.00 60.65 57.77 3h39 h LYS 228 Cb 1.27 -0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.17 3h39 h LYS 228 CO 0.44 0.30 -0.67 0.09 -0.57 0.00 0.00 179.45 179.03 3h39 n ASN 229 N -4.94 2.35 -0.32 0.86 5.03 -1.26 -4.97 115.26 112.01 3h39 n ASN 229 Ca -0.08 -3.07 0.16 0.00 0.87 0.00 0.00 54.58 52.47 3h39 n ASN 229 Cb 0.16 -0.70 0.40 0.00 -1.02 0.00 0.00 39.78 38.62 3h39 n ASN 229 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 3h39 h PRO 230 N 5.18 0.59 -0.92 3.52 0.11 -1.76 -1.81 132.00 136.91 3h39 h PRO 230 Ca 0.18 -0.04 0.19 0.00 0.11 0.00 0.00 66.00 66.44 3h39 h PRO 230 Cb 0.77 -0.13 -0.11 0.00 0.11 0.00 0.00 31.00 31.64 3h39 h PRO 230 CO 0.66 0.39 0.49 1.25 -0.21 0.00 0.00 178.00 180.58 3h39 h LEU 231 N 0.61 0.56 -0.34 2.35 6.46 -1.93 0.20 115.31 123.22 3h39 h LEU 231 Ca 0.56 0.12 0.08 0.00 -0.12 0.00 0.00 57.88 58.51 3h39 h LEU 231 Cb 1.08 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.96 3h39 h LEU 231 CO -0.32 0.16 -0.25 0.11 -0.62 0.00 0.00 178.44 177.52 3h39 h LYS 232 N 0.59 -0.20 -0.39 1.25 1.57 -1.76 0.78 116.57 118.41 3h39 h LYS 232 Ca 0.54 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 59.25 3h39 h LYS 232 Cb 0.90 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 3h39 h LYS 232 CO -0.43 -0.14 -0.10 0.77 -0.57 0.00 0.00 179.45 178.98 3h39 h SER 233 N -0.21 0.77 -0.98 0.86 0.02 -1.14 -1.18 113.55 111.69 3h39 h SER 233 Ca 0.17 -0.37 0.07 0.00 -0.84 0.00 0.00 61.79 60.82 3h39 h SER 233 Cb 0.48 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 62.74 3h39 h SER 233 CO -0.47 0.96 0.63 0.40 -1.14 0.00 0.00 176.83 177.22 3h39 h ILE 234 N 0.57 1.08 -0.44 3.27 2.04 -0.67 0.36 117.51 123.72 3h39 h ILE 234 Ca 0.10 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.45 3h39 h ILE 234 Cb 0.63 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3h39 h ILE 234 CO 0.04 0.21 -0.16 0.03 0.00 0.00 0.00 178.15 178.27 3h39 h ARG 235 N 1.15 0.89 -0.50 2.37 3.08 -0.63 -1.38 114.38 119.36 3h39 h ARG 235 Ca 0.43 -0.37 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 3h39 h ARG 235 Cb 0.17 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3h39 h ARG 235 CO -0.17 1.01 0.00 -0.09 -1.07 0.00 0.00 179.97 179.65 3h39 h ARG 236 N 0.72 0.89 -0.03 0.04 9.65 -0.52 -1.06 114.38 124.07 3h39 h ARG 236 Ca 0.11 -0.28 0.04 0.00 -1.10 0.00 0.00 59.98 58.74 3h39 h ARG 236 Cb 0.72 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 29.16 3h39 h ARG 236 CO 0.05 0.92 -0.32 0.52 2.80 0.00 0.00 179.97 183.94 3h39 h MET 237 N 0.75 -0.44 -0.91 0.20 2.86 -0.02 -1.37 114.93 116.00 3h39 h MET 237 Ca 0.14 0.03 0.18 0.00 -2.06 0.00 0.00 59.70 57.99 3h39 h MET 237 Cb 0.51 0.10 -0.10 0.00 0.06 0.00 0.00 31.60 32.17 3h39 h MET 237 CO 0.03 -0.29 0.49 0.00 1.06 0.00 0.00 176.91 178.19 3h39 h ALA 238 N 0.29 1.45 -0.39 6.32 0.00 -0.85 0.32 119.26 126.40 3h39 h ALA 238 Ca 0.07 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.17 3h39 h ALA 238 Cb 0.56 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3h39 h ALA 238 CO -0.29 -0.13 0.27 1.96 0.00 0.00 0.00 179.25 181.06 3h39 h GLN 239 N 0.62 0.11 -0.62 0.00 4.20 -0.09 -2.39 115.11 116.94 3h39 h GLN 239 Ca 0.52 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.23 3h39 h GLN 239 Cb 0.83 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.59 3h39 h GLN 239 CO -0.40 0.07 0.00 1.19 -0.67 0.00 0.00 178.83 179.02 3h39 n PHE 240 N -4.45 1.33 -1.04 2.96 3.72 0.11 -4.92 117.46 115.16 3h39 n PHE 240 Ca 0.06 -0.60 -0.01 0.00 -0.05 0.00 0.00 57.45 56.84 3h39 n PHE 240 Cb 0.39 -0.20 -0.01 0.00 -0.94 0.00 0.00 39.48 38.72 3h39 n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3h39 n ASP 241 N 1.07 -4.82 -0.21 4.37 10.43 -0.85 -4.86 116.55 121.68 3h39 n ASP 241 Ca 0.25 0.03 -0.06 0.00 2.57 0.00 0.00 54.79 57.58 3h39 n ASP 241 Cb 0.83 -2.44 0.09 0.00 1.84 0.00 0.00 41.12 41.43 3h39 n ASP 241 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3h39 h VAL 242 N 0.00 1.25 -0.07 2.53 2.07 -1.70 -3.21 116.25 117.14 3h39 h VAL 242 Ca -0.03 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 3h39 h VAL 242 Cb 0.64 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3h39 h VAL 242 CO 0.04 0.36 0.02 0.40 0.02 0.00 0.00 177.57 178.41 3h39 h ILE 243 N 0.98 1.17 -0.98 4.57 2.04 -1.89 -2.50 117.51 120.89 3h39 h ILE 243 Ca 0.20 -0.50 0.32 0.00 1.00 0.00 0.00 64.86 65.88 3h39 h ILE 243 Cb 0.37 1.38 -0.15 0.00 -0.74 0.00 0.00 36.82 37.68 3h39 h ILE 243 CO 0.00 0.14 0.50 0.50 0.00 0.00 0.00 178.15 179.29 3h39 h LYS 244 N -0.08 0.25 -0.40 2.37 3.64 -1.74 0.46 116.57 121.07 3h39 h LYS 244 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3h39 h LYS 244 Cb 0.21 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3h39 h LYS 244 CO -0.00 0.16 0.00 0.72 -2.27 0.00 0.00 179.45 178.06 3h39 n HIS 245 N -5.12 0.49 0.00 1.91 8.25 -0.95 -3.04 115.22 116.76 3h39 n HIS 245 Ca 0.31 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3h39 n HIS 245 Cb 0.97 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 32.03 3h39 n HIS 245 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h39 n LEU 246 N 0.37 1.82 -3.67 2.41 4.77 0.04 -4.38 117.00 118.35 3h39 n LEU 246 Ca 0.10 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.79 3h39 n LEU 246 Cb 0.33 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.27 3h39 n LEU 246 CO 0.08 0.30 -0.32 -0.36 -1.33 0.00 0.00 177.39 175.76 3h39 s PHE 247 N -1.90 1.37 0.37 -1.77 0.40 -0.53 -5.03 117.98 110.89 3h39 s PHE 247 Ca 0.00 -1.61 0.24 0.00 -0.60 0.00 0.00 56.93 54.96 3h39 s PHE 247 Cb 0.00 -1.50 1.25 0.00 0.51 0.00 0.00 43.02 43.28 3h39 s PHE 247 CO 0.00 -0.86 2.00 -1.35 0.70 0.00 0.00 175.22 175.71 3h39 h PRO 248 N 7.97 0.00 -0.66 0.24 0.11 -1.79 -1.10 132.00 136.76 3h39 h PRO 248 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3h39 h PRO 248 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3h39 h PRO 248 CO 0.45 0.17 0.00 1.63 -0.21 0.00 0.00 178.00 180.04 3h39 n LYS 249 N -3.71 2.61 -3.58 1.05 4.01 -1.26 -4.92 118.16 112.35 3h39 n LYS 249 Ca -0.02 -2.39 -0.37 0.00 -0.51 0.00 0.00 58.31 55.02 3h39 n LYS 249 Cb 0.29 -1.54 -0.09 0.00 -0.51 0.00 0.00 35.03 33.18 3h39 n LYS 249 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3h39 s THR 250 N -1.18 5.31 -0.28 -0.18 2.01 -0.42 -4.99 115.64 115.91 3h39 s THR 250 Ca 0.44 0.32 0.03 0.00 0.31 0.00 0.00 61.69 62.80 3h39 s THR 250 Cb 0.24 -3.56 0.07 0.00 0.01 0.00 0.00 72.50 69.25 3h39 s THR 250 CO 0.29 0.32 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.16 3h39 s TYR 251 N 1.15 3.31 -0.97 4.92 2.02 -1.26 -4.31 117.35 122.21 3h39 s TYR 251 Ca 0.11 -2.45 -0.23 0.00 -0.37 0.00 0.00 57.07 54.13 3h39 s TYR 251 Cb -0.14 -2.14 0.06 0.00 -0.40 0.00 0.00 41.96 39.34 3h39 s TYR 251 CO 0.06 -0.89 1.39 -0.47 -1.57 0.00 0.00 175.55 174.06 3h39 s TYR 252 N 1.08 2.57 0.40 2.71 5.04 -1.26 -4.79 117.35 123.09 3h39 s TYR 252 Ca -0.04 -0.80 0.08 0.00 -2.44 0.00 0.00 57.07 53.87 3h39 s TYR 252 Cb -0.20 -4.64 -0.01 0.00 0.35 0.00 0.00 41.96 37.47 3h39 s TYR 252 CO -0.06 -1.90 0.47 0.95 -1.34 0.00 0.00 175.55 173.67 3h39 s THR 253 N 4.81 3.14 0.38 4.34 -4.23 -1.26 -4.87 115.64 117.96 3h39 s THR 253 Ca 0.43 -1.14 0.17 0.00 -1.18 0.00 0.00 61.69 59.98 3h39 s THR 253 Cb -0.02 -3.09 0.38 0.00 1.34 0.00 0.00 72.50 71.11 3h39 s THR 253 CO -0.07 -0.05 1.73 -0.65 -0.54 0.00 0.00 174.62 175.05 3h39 h PRO 254 N 0.86 0.38 0.52 3.99 0.11 -1.98 0.20 132.00 136.08 3h39 h PRO 254 Ca -0.42 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 3h39 h PRO 254 Cb 1.27 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.30 3h39 h PRO 254 CO 0.51 0.25 -0.25 0.77 -0.21 0.00 0.00 178.00 179.07 3h39 h SER 255 N 0.39 -0.59 -0.42 -2.05 0.02 -1.96 0.60 113.55 109.54 3h39 h SER 255 Ca 0.64 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.57 3h39 h SER 255 Cb 1.58 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 64.24 3h39 h SER 255 CO -0.38 -0.28 0.21 -0.03 -1.14 0.00 0.00 176.83 175.21 3h39 h MET 256 N -0.92 0.41 -0.94 3.45 -1.53 -1.27 0.22 114.93 114.34 3h39 h MET 256 Ca -0.07 -0.02 0.01 0.00 -3.44 0.00 0.00 59.70 56.18 3h39 h MET 256 Cb 0.61 -0.09 -0.05 0.00 -0.55 0.00 0.00 31.60 31.52 3h39 h MET 256 CO 0.12 0.27 0.62 0.22 0.14 0.00 0.00 176.91 178.28 3h39 h ASP 257 N 0.42 1.08 -0.76 1.39 1.82 -0.72 0.46 116.42 120.11 3h39 h ASP 257 Ca 0.18 -0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.78 3h39 h ASP 257 Cb 0.09 -0.27 -0.04 0.00 0.68 0.00 0.00 39.33 39.80 3h39 h ASP 257 CO -0.13 0.78 0.42 -0.08 -1.61 0.00 0.00 179.24 178.61 3h39 h GLU 258 N 1.27 1.07 0.11 0.28 4.81 0.21 -1.31 114.58 121.01 3h39 h GLU 258 Ca 0.35 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3h39 h GLU 258 Cb -0.14 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.03 3h39 h GLU 258 CO -0.08 0.79 -0.05 0.87 -0.73 0.00 0.00 179.01 179.81 3h39 h LYS 259 N 1.07 -0.14 -0.98 1.92 1.57 0.77 -2.59 116.57 118.19 3h39 h LYS 259 Ca 0.27 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 59.25 3h39 h LYS 259 Cb 0.03 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.28 3h39 h LYS 259 CO -0.04 0.11 0.61 1.98 -0.57 0.00 0.00 179.45 181.54 3h39 h MET 260 N -0.39 0.67 -0.24 3.15 4.05 0.15 0.31 114.93 122.63 3h39 h MET 260 Ca -0.02 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.32 3h39 h MET 260 Cb 0.32 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 3h39 h MET 260 CO 0.02 0.45 -0.02 1.49 0.23 0.00 0.00 176.91 179.08 3h39 h GLU 261 N 0.69 0.44 -0.99 0.39 4.81 -1.12 0.24 114.58 119.05 3h39 h GLU 261 Ca 0.55 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.64 3h39 h GLU 261 Cb 0.94 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.24 3h39 h GLU 261 CO -0.32 0.64 0.65 -0.91 -0.73 0.00 0.00 179.01 178.34 3h39 h ASN 262 N 0.20 1.12 -0.02 1.04 -0.26 -0.86 -0.69 115.58 116.10 3h39 h ASN 262 Ca 0.06 -0.02 0.01 0.00 -0.56 0.00 0.00 56.30 55.79 3h39 h ASN 262 Cb 0.46 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 3h39 h ASN 262 CO 0.02 0.80 -0.03 0.25 -1.06 0.00 0.00 177.43 177.41 3h39 h LEU 263 N 1.31 -0.08 -0.71 1.61 7.12 0.07 -2.27 115.31 122.37 3h39 h LEU 263 Ca 0.37 0.02 -0.14 0.00 0.13 0.00 0.00 57.88 58.26 3h39 h LEU 263 Cb -0.11 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.05 3h39 h LEU 263 CO -0.09 -0.04 -0.57 -0.26 -0.13 0.00 0.00 178.44 177.35 3h39 h PHE 264 N -0.04 0.29 -0.55 1.25 -1.00 -0.71 -2.57 116.94 113.62 3h39 h PHE 264 Ca 0.02 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 3h39 h PHE 264 Cb 0.06 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.54 3h39 h PHE 264 CO -0.11 0.74 0.29 -0.09 -1.61 0.00 0.00 178.31 177.53 3h39 h ARG 265 N 0.17 0.75 -0.00 1.51 2.43 -0.88 -3.22 114.38 115.15 3h39 h ARG 265 Ca -0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3h39 h ARG 265 Cb 1.05 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3h39 h ARG 265 CO 0.09 0.57 -0.84 0.09 -1.51 0.00 0.00 179.97 178.37 3h39 n ASN 266 N -4.39 1.07 -0.26 -3.80 3.02 -0.88 -4.33 115.26 105.70 3h39 n ASN 266 Ca 0.05 -0.96 -0.04 0.00 -0.03 0.00 0.00 54.58 53.59 3h39 n ASN 266 Cb 0.11 0.80 0.11 0.00 -0.61 0.00 0.00 39.78 40.18 3h39 n ASN 266 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3h39 h ILE 267 N 0.37 1.25 0.31 2.41 2.04 -1.47 -0.83 117.51 121.59 3h39 h ILE 267 Ca 0.00 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 3h39 h ILE 267 Cb 0.54 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3h39 h ILE 267 CO 0.00 0.31 -0.30 -0.65 0.00 0.00 0.00 178.15 177.51 3h39 h PRO 268 N 1.10 -0.59 -1.08 2.37 0.11 -1.77 -0.38 132.00 131.77 3h39 h PRO 268 Ca 0.26 0.04 0.29 0.00 0.11 0.00 0.00 66.00 66.70 3h39 h PRO 268 Cb 0.18 0.13 -0.08 0.00 0.11 0.00 0.00 31.00 31.34 3h39 h PRO 268 CO -0.03 -0.39 0.72 2.35 -0.21 0.00 0.00 178.00 180.45 3h39 h TRP 269 N -0.61 0.43 0.19 0.65 7.01 -1.76 0.15 115.95 122.01 3h39 h TRP 269 Ca -0.04 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 3h39 h TRP 269 Cb 0.52 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.46 3h39 h TRP 269 CO -0.16 0.03 -0.09 0.28 -2.79 0.00 0.00 178.44 175.71 3h39 h VAL 270 N 0.25 0.00 -0.62 2.65 2.07 -0.78 -2.86 116.25 116.95 3h39 h VAL 270 Ca 0.58 -0.12 0.10 0.00 0.82 0.00 0.00 66.70 68.08 3h39 h VAL 270 Cb 1.76 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.43 3h39 h VAL 270 CO -0.20 0.00 -0.24 -0.62 0.02 0.00 0.00 177.57 176.53 3h39 n GLU 271 N -3.02 -0.14 -0.00 1.57 1.02 -0.18 0.14 120.64 120.02 3h39 n GLU 271 Ca -0.03 0.96 0.15 0.00 -0.02 0.00 0.00 57.16 58.21 3h39 n GLU 271 Cb 0.10 -1.42 0.59 0.00 -0.02 0.00 0.00 31.44 30.69 3h39 n GLU 271 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3h39 h GLU 272 N 0.00 0.19 -0.00 3.49 5.08 -0.76 0.12 114.58 122.69 3h39 h GLU 272 Ca 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3h39 h GLU 272 Cb 0.38 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3h39 h GLU 272 CO -0.62 0.13 -0.13 0.09 -1.00 0.00 0.00 179.01 177.48 3h39 n ASN 273 N -4.45 0.98 0.00 1.42 5.03 0.38 -4.75 115.26 113.87 3h39 n ASN 273 Ca 0.08 -0.99 0.00 0.00 0.87 0.00 0.00 54.58 54.54 3h39 n ASN 273 Cb 0.43 0.45 0.00 0.00 -1.02 0.00 0.00 39.78 39.64 3h39 n ASN 273 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3h39 n PHE 274 N -0.31 0.00 -0.14 3.10 3.72 0.10 -5.08 117.46 118.86 3h39 n PHE 274 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3h39 n PHE 274 Cb 0.13 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 3h39 n PHE 274 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h39 n GLY 275 N 0.18 -1.81 3.61 1.37 0.00 0.37 -4.95 105.19 103.97 3h39 n GLY 275 Ca 0.00 -2.01 -0.50 0.00 0.00 0.00 0.00 46.02 43.51 3h39 n GLY 275 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h39 n GLU 276 N 0.00 1.46 -4.20 1.61 4.07 -1.26 -3.91 120.64 118.41 3h39 n GLU 276 Ca 0.00 0.53 -0.34 0.00 -0.06 0.00 0.00 57.16 57.28 3h39 n GLU 276 Cb 0.00 -2.21 -0.13 0.00 -0.06 0.00 0.00 31.44 29.05 3h39 n GLU 276 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 3h39 s VAL 277 N 0.60 3.74 -0.63 6.31 1.01 -1.26 -4.87 120.40 125.30 3h39 s VAL 277 Ca 0.83 -0.39 -0.25 0.00 0.00 0.00 0.00 61.98 62.17 3h39 s VAL 277 Cb -0.87 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 32.89 3h39 s VAL 277 CO 0.44 0.45 1.05 -0.62 0.00 0.00 0.00 175.10 176.42 3h39 s ASP 278 N 0.86 6.25 0.29 3.32 3.68 -1.26 -4.90 116.67 124.91 3h39 s ASP 278 Ca -0.00 -0.57 -0.02 0.00 2.13 0.00 0.00 52.55 54.09 3h39 s ASP 278 Cb -0.14 -2.47 0.45 0.00 -1.45 0.00 0.00 42.92 39.31 3h39 s ASP 278 CO 0.02 -1.46 1.94 0.03 0.13 0.00 0.00 175.17 175.83 3h39 h ARG 279 N 9.58 1.09 -0.67 4.34 3.08 -1.97 -0.74 114.38 129.10 3h39 h ARG 279 Ca -0.27 -0.07 0.10 0.00 0.07 0.00 0.00 59.98 59.81 3h39 h ARG 279 Cb 1.07 -0.25 -0.07 0.00 0.08 0.00 0.00 29.97 30.80 3h39 h ARG 279 CO 1.17 0.72 0.29 0.35 -1.07 0.00 0.00 179.97 181.44 3h39 h PHE 280 N 1.13 0.52 -0.09 3.04 3.57 -1.94 0.73 116.94 123.88 3h39 h PHE 280 Ca 0.35 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.76 3h39 h PHE 280 Cb -0.01 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3h39 h PHE 280 CO -0.00 0.16 -0.49 1.88 -2.23 0.00 0.00 178.31 177.63 3h39 h TYR 281 N 0.50 0.29 -0.42 0.41 0.05 -1.60 -2.48 116.97 113.71 3h39 h TYR 281 Ca 0.34 -0.09 -0.10 0.00 0.05 0.00 0.00 58.73 58.93 3h39 h TYR 281 Cb 0.39 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 3h39 h TYR 281 CO -0.14 0.68 -0.13 0.00 -1.05 0.00 0.00 178.16 177.52 3h39 h ALA 282 N 1.31 0.58 -0.21 3.88 0.00 -0.17 -2.52 119.26 122.11 3h39 h ALA 282 Ca 0.01 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 3h39 h ALA 282 Cb 0.93 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3h39 h ALA 282 CO 0.07 0.48 -0.42 0.28 0.00 0.00 0.00 179.25 179.67 3h39 h VAL 283 N 0.64 1.30 0.00 0.00 2.07 -0.88 -2.98 116.25 116.41 3h39 h VAL 283 Ca 0.10 -1.58 -0.08 0.00 0.82 0.00 0.00 66.70 65.95 3h39 h VAL 283 Cb 0.67 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3h39 h VAL 283 CO 0.05 0.49 -0.39 -0.07 0.02 0.00 0.00 177.57 177.67 3h39 h LEU 284 N 0.42 0.00 -1.80 2.57 3.38 -1.25 -0.13 115.31 118.50 3h39 h LEU 284 Ca 0.03 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.10 3h39 h LEU 284 Cb 0.91 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 3h39 h LEU 284 CO 0.08 0.39 0.33 0.45 0.09 0.00 0.00 178.44 179.79 3h39 h HIS 285 N 0.00 0.24 0.00 1.13 3.86 -1.29 0.17 115.15 119.27 3h39 h HIS 285 Ca -0.00 0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 3h39 h HIS 285 Cb 0.70 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.08 3h39 h HIS 285 CO 0.00 0.12 -0.81 0.28 0.86 0.00 0.00 177.93 178.37 3h39 h VAL 286 N 0.23 0.53 -0.71 2.45 2.07 -1.23 -3.34 116.25 116.25 3h39 h VAL 286 Ca 0.23 -1.63 0.16 0.00 0.82 0.00 0.00 66.70 66.27 3h39 h VAL 286 Cb 0.60 1.24 -0.12 0.00 -1.52 0.00 0.00 31.29 31.49 3h39 h VAL 286 CO -0.04 0.18 0.07 -0.26 0.02 0.00 0.00 177.57 177.54 3h39 h PHE 287 N -1.00 0.08 -0.14 1.57 0.04 -0.95 -2.82 116.94 113.73 3h39 h PHE 287 Ca -0.17 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.65 3h39 h PHE 287 Cb 0.89 0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.11 3h39 h PHE 287 CO -0.03 -0.16 0.00 1.28 -0.60 0.00 0.00 178.31 178.80 3h39 n LEU 288 N -5.26 1.36 -4.71 1.54 4.77 0.60 -4.60 117.00 110.70 3h39 n LEU 288 Ca 0.13 -0.57 -0.40 0.00 -0.03 0.00 0.00 56.01 55.14 3h39 n LEU 288 Cb 0.44 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 3h39 n LEU 288 CO 0.09 0.28 0.89 -0.62 -1.33 0.00 0.00 177.39 176.71 3h39 n GLU 289 N 0.12 1.73 -2.18 3.23 1.02 -1.07 -2.86 120.64 120.64 3h39 n GLU 289 Ca 0.16 0.63 -0.15 0.00 -0.02 0.00 0.00 57.16 57.77 3h39 n GLU 289 Cb 0.28 -2.44 -0.02 0.00 -0.02 0.00 0.00 31.44 29.24 3h39 n GLU 289 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3h39 n PHE 290 N -0.71 -0.64 -2.60 -0.32 3.01 -1.26 -4.98 117.46 109.96 3h39 n PHE 290 Ca 0.09 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.13 3h39 n PHE 290 Cb 0.43 -3.14 -0.03 0.00 -0.01 0.00 0.00 39.48 36.72 3h39 n PHE 290 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3h39 s TYR 291 N -2.75 3.59 1.09 1.38 4.12 -1.13 -5.04 117.35 118.61 3h39 s TYR 291 Ca 0.00 1.57 -0.12 0.00 0.02 0.00 0.00 57.07 58.54 3h39 s TYR 291 Cb 0.00 -3.23 0.24 0.00 -1.52 0.00 0.00 41.96 37.46 3h39 s TYR 291 CO 0.00 -0.46 1.06 0.16 0.02 0.00 0.00 175.55 176.33 3h39 s ASP 292 N 0.86 1.56 0.18 2.29 -4.77 -1.26 -4.84 116.67 110.70 3h39 s ASP 292 Ca 0.54 1.70 -0.12 0.00 -3.30 0.00 0.00 52.55 51.37 3h39 s ASP 292 Cb -0.25 -2.37 0.09 0.00 -1.09 0.00 0.00 42.92 39.30 3h39 s ASP 292 CO 0.29 -3.87 1.80 0.44 0.70 0.00 0.00 175.17 174.53 3h39 h ASP 293 N -2.40 0.76 -0.27 2.11 3.45 -2.00 -2.58 116.42 115.49 3h39 h ASP 293 Ca -0.56 -0.09 -0.15 0.00 0.43 0.00 0.00 57.03 56.66 3h39 h ASP 293 Cb 1.31 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 39.89 3h39 h ASP 293 CO 0.48 0.63 -0.41 -0.08 -1.57 0.00 0.00 179.24 178.28 3h39 h GLU 294 N 0.83 0.76 0.00 3.56 4.57 -2.01 -2.75 114.58 119.55 3h39 h GLU 294 Ca 0.22 -0.45 -0.02 0.00 -1.18 0.00 0.00 59.36 57.92 3h39 h GLU 294 Cb 0.03 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3h39 h GLU 294 CO -0.04 1.08 -0.11 0.77 -1.18 0.00 0.00 179.01 179.53 3h39 h SER 295 N 0.51 0.00 -0.07 1.04 0.02 -1.91 -2.36 113.55 110.78 3h39 h SER 295 Ca 0.03 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 3h39 h SER 295 Cb 1.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.56 3h39 h SER 295 CO 0.10 0.11 -0.49 -0.25 -1.14 0.00 0.00 176.83 175.16 3h39 h TRP 296 N 0.00 0.62 -0.62 3.45 2.91 -1.23 -2.97 115.95 118.12 3h39 h TRP 296 Ca -0.00 -0.29 0.00 0.00 1.13 0.00 0.00 58.89 59.73 3h39 h TRP 296 Cb 0.55 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.08 3h39 h TRP 296 CO 0.00 1.07 0.39 1.57 -1.03 0.00 0.00 178.44 180.44 3h39 h LYS 297 N 0.00 0.83 -0.46 2.65 2.10 -1.14 0.25 116.57 120.80 3h39 h LYS 297 Ca -0.04 -0.06 0.01 0.00 -2.00 0.00 0.00 60.65 58.55 3h39 h LYS 297 Cb 1.15 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 32.28 3h39 h LYS 297 CO 0.10 0.57 0.30 0.93 -2.00 0.00 0.00 179.45 179.36 3h39 h GLU 298 N 0.84 0.60 -0.60 0.07 5.08 -1.55 0.15 114.58 119.17 3h39 h GLU 298 Ca 0.22 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3h39 h GLU 298 Cb -0.06 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 3h39 h GLU 298 CO -0.05 0.40 0.09 0.28 -1.00 0.00 0.00 179.01 178.73 3h39 h VAL 299 N 0.62 1.25 0.00 3.13 2.07 -1.28 -0.07 116.25 121.98 3h39 h VAL 299 Ca 0.17 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 3h39 h VAL 299 Cb -0.07 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3h39 h VAL 299 CO -0.04 0.36 -0.13 -0.09 0.02 0.00 0.00 177.57 177.70 3h39 h ARG 300 N 0.91 0.00 0.00 1.57 2.43 0.72 -2.58 114.38 117.43 3h39 h ARG 300 Ca 0.18 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.07 3h39 h ARG 300 Cb 0.41 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 3h39 h ARG 300 CO 0.01 0.13 -1.93 -0.25 -1.51 0.00 0.00 179.97 176.42 3h39 n ASP 301 N -3.40 0.49 -0.08 -3.80 8.00 0.40 -2.14 116.55 116.02 3h39 n ASP 301 Ca -0.01 0.23 -0.12 0.00 0.71 0.00 0.00 54.79 55.60 3h39 n ASP 301 Cb 0.31 0.49 -0.05 0.00 -0.02 0.00 0.00 41.12 41.85 3h39 n ASP 301 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3h39 h ARG 302 N 0.00 0.46 -6.19 -1.24 2.43 -0.83 -3.41 114.38 105.59 3h39 h ARG 302 Ca -0.35 -0.19 -0.51 0.00 -0.81 0.00 0.00 59.98 58.12 3h39 h ARG 302 Cb 1.98 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 31.46 3h39 h ARG 302 CO 0.05 0.72 -0.51 0.71 -1.51 0.00 0.00 179.97 179.43 3h39 s TYR 303 N -4.64 3.00 -0.50 2.20 1.51 -0.99 -4.08 117.35 113.85 3h39 s TYR 303 Ca -0.14 -0.18 -0.14 0.00 -1.01 0.00 0.00 57.07 55.60 3h39 s TYR 303 Cb 0.07 -1.50 0.11 0.00 -0.11 0.00 0.00 41.96 40.52 3h39 s TYR 303 CO 0.76 0.43 0.43 -1.12 -1.11 0.00 0.00 175.55 174.94 3h39 s SER 304 N -3.87 6.07 -0.23 2.29 0.01 -1.26 -4.46 113.70 112.25 3h39 s SER 304 Ca 0.35 -1.65 -0.07 0.00 1.31 0.00 0.00 55.95 55.89 3h39 s SER 304 Cb -0.07 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 3h39 s SER 304 CO 0.25 -0.75 0.05 -0.76 0.41 0.00 0.00 173.24 172.44 3h39 s LEU 305 N 1.57 3.42 -0.33 2.44 1.43 -0.91 -5.05 118.68 121.25 3h39 s LEU 305 Ca 0.04 -0.18 -0.44 0.00 -1.03 0.00 0.00 54.13 52.52 3h39 s LEU 305 Cb -0.27 -1.90 -0.19 0.00 0.03 0.00 0.00 46.19 43.86 3h39 s LEU 305 CO 0.03 0.01 1.50 -2.11 0.23 0.00 0.00 176.35 176.01 3h39 n ARG 306 N 4.61 0.25 0.28 1.70 1.85 -1.26 -4.75 116.66 119.34 3h39 n ARG 306 Ca -0.16 0.09 0.17 0.00 -1.00 0.00 0.00 57.85 56.94 3h39 n ARG 306 Cb 0.52 -1.63 0.93 0.00 -1.05 0.00 0.00 32.46 31.23 3h39 n ARG 306 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3h39 h ARG 307 N 4.91 0.00 -0.00 2.89 3.08 -1.97 0.12 114.38 123.41 3h39 h ARG 307 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3h39 h ARG 307 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 3h39 h ARG 307 CO 0.90 0.00 -0.05 -1.71 -1.07 0.00 0.00 179.97 178.03 3h39 n ASN 308 N -3.70 0.48 -0.16 7.04 5.15 -1.26 -4.18 115.26 118.63 3h39 n ASN 308 Ca -0.02 -0.81 -0.07 0.00 -0.60 0.00 0.00 54.58 53.08 3h39 n ASN 308 Cb 0.16 -0.06 0.02 0.00 -0.53 0.00 0.00 39.78 39.37 3h39 n ASN 308 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3h39 h LEU 309 N 0.67 0.56 -2.18 1.20 5.85 -1.08 -2.35 115.31 117.97 3h39 h LEU 309 Ca 0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3h39 h LEU 309 Cb 0.28 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3h39 h LEU 309 CO 0.00 0.41 -0.06 -0.29 -0.34 0.00 0.00 178.44 178.16 3h39 h ILE 310 N 0.65 0.56 -0.11 4.05 6.09 -1.80 0.12 117.51 127.08 3h39 h ILE 310 Ca 0.18 -0.27 -0.11 0.00 -1.37 0.00 0.00 64.86 63.28 3h39 h ILE 310 Cb -0.07 1.17 0.00 0.00 0.47 0.00 0.00 36.82 38.40 3h39 h ILE 310 CO -0.04 0.06 -0.37 0.78 -3.07 0.00 0.00 178.15 175.51 3h39 h ASN 311 N 0.00 0.51 -0.65 2.19 2.35 -1.71 -1.82 115.58 116.45 3h39 h ASN 311 Ca -0.00 -0.62 -0.04 0.00 -0.55 0.00 0.00 56.30 55.10 3h39 h ASN 311 Cb 0.17 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 3h39 h ASN 311 CO 0.01 1.04 0.26 -0.33 -1.65 0.00 0.00 177.43 176.76 3h39 h GLU 312 N 0.01 0.98 -0.00 0.81 5.08 -0.51 0.20 114.58 121.14 3h39 h GLU 312 Ca -0.02 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3h39 h GLU 312 Cb 1.00 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 3h39 h GLU 312 CO 0.08 0.82 0.00 0.82 -1.00 0.00 0.00 179.01 179.73 3h39 h ILE 313 N 0.92 1.07 -0.03 3.13 2.04 -1.21 -2.66 117.51 120.78 3h39 h ILE 313 Ca 0.22 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3h39 h ILE 313 Cb 0.20 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3h39 h ILE 313 CO -0.02 0.06 0.03 0.03 0.00 0.00 0.00 178.15 178.25 3h39 h ARG 314 N -0.09 0.00 -0.11 2.37 3.08 -0.49 0.20 114.38 119.34 3h39 h ARG 314 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3h39 h ARG 314 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3h39 h ARG 314 CO -0.00 0.00 0.02 1.25 -1.07 0.00 0.00 179.97 180.17 3h39 h HIS 315 N 0.00 0.19 -0.27 3.04 2.76 -0.31 -2.64 115.15 117.93 3h39 h HIS 315 Ca 0.02 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.05 3h39 h HIS 315 Cb 0.08 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 3h39 h HIS 315 CO 0.00 0.36 -0.26 0.28 -1.30 0.00 0.00 177.93 177.01 3h39 h VAL 316 N -0.04 1.31 0.00 5.26 2.07 -0.42 -1.89 116.25 122.54 3h39 h VAL 316 Ca 0.03 -1.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.09 3h39 h VAL 316 Cb 0.27 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3h39 h VAL 316 CO 0.00 0.45 -0.18 1.05 0.02 0.00 0.00 177.57 178.91 3h39 h GLU 317 N 0.38 0.00 0.23 1.57 4.11 -1.28 -1.84 114.58 117.74 3h39 h GLU 317 Ca 0.04 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.13 3h39 h GLU 317 Cb 0.83 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.10 3h39 h GLU 317 CO 0.07 0.18 -1.59 0.87 0.07 0.00 0.00 179.01 178.61 3h39 h LYS 318 N 0.00 0.48 -0.01 1.06 1.57 -1.29 -3.37 116.57 115.02 3h39 h LYS 318 Ca -0.00 -0.82 0.00 0.00 -1.87 0.00 0.00 60.65 57.96 3h39 h LYS 318 Cb 0.55 0.30 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3h39 h LYS 318 CO 0.02 1.39 -0.27 -1.13 -0.57 0.00 0.00 179.45 178.89 3h39 n SER 319 N -3.68 1.21 -0.20 0.86 3.41 -0.73 -4.50 113.62 110.00 3h39 n SER 319 Ca -0.20 -1.03 -0.05 0.00 -0.26 0.00 0.00 58.87 57.33 3h39 n SER 319 Cb 1.09 0.17 0.05 0.00 -0.26 0.00 0.00 64.21 65.26 3h39 n SER 319 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h39 h ALA 320 N 3.76 0.76 -0.79 7.33 0.00 -1.50 -0.45 119.26 128.37 3h39 h ALA 320 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3h39 h ALA 320 Cb 0.55 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3h39 h ALA 320 CO 0.00 0.13 0.30 -1.35 0.00 0.00 0.00 179.25 178.34 3h39 h PRO 321 N 0.75 1.18 -0.46 0.00 0.11 -1.86 -0.72 132.00 131.00 3h39 h PRO 321 Ca 0.23 -0.22 0.01 0.00 0.11 0.00 0.00 66.00 66.12 3h39 h PRO 321 Cb -0.03 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 3h39 h PRO 321 CO -0.08 0.97 0.30 0.00 -0.21 0.00 0.00 178.00 178.98 3h39 h ALA 322 N 1.16 0.59 0.19 -0.75 0.00 -1.64 0.41 119.26 119.22 3h39 h ALA 322 Ca 0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3h39 h ALA 322 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3h39 h ALA 322 CO -0.02 0.03 -0.21 1.25 0.00 0.00 0.00 179.25 180.30 3h39 h LEU 323 N 0.62 -0.58 -0.72 0.00 6.46 -0.71 0.14 115.31 120.52 3h39 h LEU 323 Ca 0.17 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 58.06 3h39 h LEU 323 Cb -0.06 0.19 -0.10 0.00 -0.73 0.00 0.00 40.66 39.97 3h39 h LEU 323 CO -0.04 -0.27 -0.37 0.18 -0.62 0.00 0.00 178.44 177.32 3h39 n LEU 324 N -3.61 -0.65 0.01 2.25 4.32 -0.31 -0.38 117.00 118.63 3h39 n LEU 324 Ca -0.05 1.28 -0.10 0.00 -0.02 0.00 0.00 56.01 57.12 3h39 n LEU 324 Cb 0.19 -0.21 -0.03 0.00 -1.62 0.00 0.00 43.42 41.74 3h39 n LEU 324 CO 0.10 -1.08 0.73 -0.33 -1.22 0.00 0.00 177.39 175.59 3h39 h GLU 325 N 0.00 -0.25 -0.76 3.23 5.08 -0.37 -1.33 114.58 120.18 3h39 h GLU 325 Ca 0.17 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.63 3h39 h GLU 325 Cb 0.35 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 3h39 h GLU 325 CO -0.69 -0.17 0.42 0.52 -1.00 0.00 0.00 179.01 178.09 3h39 h MET 326 N -0.26 0.71 0.49 2.33 2.86 0.10 -3.05 114.93 118.12 3h39 h MET 326 Ca 0.09 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3h39 h MET 326 Cb 0.39 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3h39 h MET 326 CO -0.26 0.47 -0.33 -0.07 1.06 0.00 0.00 176.91 177.78 3h39 h LEU 327 N 0.74 -0.86 -9.81 1.22 3.38 0.19 -3.18 115.31 106.99 3h39 h LEU 327 Ca 0.36 0.05 -0.56 0.00 0.09 0.00 0.00 57.88 57.83 3h39 h LEU 327 Cb 0.30 0.26 0.18 0.00 0.09 0.00 0.00 40.66 41.49 3h39 h LEU 327 CO -0.23 -0.50 -0.17 -1.54 0.09 0.00 0.00 178.44 176.10 3h39 n SER 328 N -4.45 -0.46 -2.95 -0.43 3.41 -0.59 -2.61 113.62 105.55 3h39 n SER 328 Ca -0.10 0.61 -0.08 0.00 -0.26 0.00 0.00 58.87 59.04 3h39 n SER 328 Cb 0.33 -1.31 0.04 0.00 -0.26 0.00 0.00 64.21 63.01 3h39 n SER 328 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3h39 n GLU 329 N -1.37 -1.63 -1.63 4.33 4.07 -1.26 -4.69 120.64 118.46 3h39 n GLU 329 Ca 0.11 0.99 -0.49 0.00 -0.06 0.00 0.00 57.16 57.71 3h39 n GLU 329 Cb 0.50 -5.22 -0.05 0.00 -0.06 0.00 0.00 31.44 26.61 3h39 n GLU 329 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3h39 n ARG 330 N -2.48 1.62 -4.68 5.31 1.74 -1.07 -4.76 116.66 112.34 3h39 n ARG 330 Ca -0.04 0.59 -0.30 0.00 -0.77 0.00 0.00 57.85 57.33 3h39 n ARG 330 Cb 0.56 -2.29 -0.09 0.00 -1.02 0.00 0.00 32.46 29.62 3h39 n ARG 330 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3h39 s VAL 331 N 0.86 1.42 0.15 1.55 -7.23 -1.20 -5.05 120.40 110.90 3h39 s VAL 331 Ca 0.83 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.68 3h39 s VAL 331 Cb -0.83 -2.50 -0.10 0.00 0.56 0.00 0.00 36.38 33.51 3h39 s VAL 331 CO 0.43 0.00 1.68 -2.16 -0.31 0.00 0.00 175.10 174.74 3h39 s PRO 332 N -3.81 4.17 0.40 4.82 0.04 -1.26 -4.87 135.00 134.50 3h39 s PRO 332 Ca 0.19 2.47 0.22 0.00 0.04 0.00 0.00 61.00 63.92 3h39 s PRO 332 Cb 0.05 -3.31 1.23 0.00 0.04 0.00 0.00 34.50 32.51 3h39 s PRO 332 CO 0.10 -0.72 1.69 0.00 0.04 0.00 0.00 177.00 178.11 3h39 h ALA 333 N 7.47 2.39 0.00 8.56 0.00 -1.95 0.18 119.26 135.91 3h39 h ALA 333 Ca -0.43 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3h39 h ALA 333 Cb 1.21 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3h39 h ALA 333 CO 0.94 -0.92 0.06 0.66 0.00 0.00 0.00 179.25 179.98 3h39 h SER 334 N 0.25 0.00 1.14 0.00 4.64 -1.89 -1.76 113.55 115.93 3h39 h SER 334 Ca 0.71 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.86 3h39 h SER 334 Cb 1.97 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.04 3h39 h SER 334 CO -0.40 0.00 -0.84 0.15 -0.87 0.00 0.00 176.83 174.87 3h39 h PHE 335 N 0.00 0.00 0.00 4.77 -0.00 -1.00 -3.27 116.94 117.44 3h39 h PHE 335 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3h39 h PHE 335 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.07 3h39 h PHE 335 CO 0.00 0.84 -1.04 1.33 -0.00 0.00 0.00 178.31 179.44 3h39 n VAL 336 N -3.32 0.21 -0.15 1.41 0.24 -0.68 -4.41 118.33 111.63 3h39 n VAL 336 Ca 0.01 -0.28 -0.05 0.00 -2.04 0.00 0.00 64.34 61.98 3h39 n VAL 336 Cb 0.87 0.13 0.02 0.00 -1.47 0.00 0.00 33.84 33.39 3h39 n VAL 336 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3h39 h TYR 337 N 0.00 -0.58 -0.46 6.34 3.20 -1.57 0.10 116.97 123.99 3h39 h TYR 337 Ca 0.00 0.05 0.13 0.00 3.14 0.00 0.00 58.73 62.06 3h39 h TYR 337 Cb 0.76 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 3h39 h TYR 337 CO 0.00 -0.31 0.38 -1.00 -1.64 0.00 0.00 178.16 175.59 3h39 h PRO 338 N -0.13 0.00 0.00 1.82 0.13 -1.78 -1.63 132.00 130.41 3h39 h PRO 338 Ca 0.22 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.19 3h39 h PRO 338 Cb 0.47 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 3h39 h PRO 338 CO -0.55 0.00 -0.75 -0.07 -0.23 0.00 0.00 178.00 176.39 3h39 h LEU 339 N 0.00 0.00 -3.30 1.56 3.38 -1.26 -3.26 115.31 112.44 3h39 h LEU 339 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3h39 h LEU 339 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3h39 h LEU 339 CO -0.00 0.75 0.00 1.33 0.09 0.00 0.00 178.44 180.61 3h39 n VAL 340 N -3.30 2.30 -1.98 1.22 0.24 -0.68 -4.99 118.33 111.14 3h39 n VAL 340 Ca 0.01 -1.69 -0.42 0.00 -2.04 0.00 0.00 64.34 60.20 3h39 n VAL 340 Cb 0.83 -0.19 -0.03 0.00 -1.47 0.00 0.00 33.84 32.98 3h39 n VAL 340 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3h39 s LYS 341 N -2.65 4.06 -1.31 7.34 -2.85 -0.83 -3.85 119.74 119.64 3h39 s LYS 341 Ca 0.44 2.13 -0.09 0.00 -1.00 0.00 0.00 55.97 57.45 3h39 s LYS 341 Cb 0.34 -4.03 0.00 0.00 -2.06 0.00 0.00 37.83 32.09 3h39 s LYS 341 CO 0.12 -0.99 0.54 0.41 0.10 0.00 0.00 175.35 175.53 3h39 n GLY 342 N 4.33 -0.50 3.39 0.59 0.00 -1.26 -4.96 105.19 106.78 3h39 n GLY 342 Ca 0.18 0.26 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 3h39 n GLY 342 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h39 s VAL 343 N -3.79 2.19 0.91 1.61 -7.23 -1.25 -5.13 120.40 107.72 3h39 s VAL 343 Ca 0.18 -1.85 -0.11 0.00 -1.81 0.00 0.00 61.98 58.39 3h39 s VAL 343 Cb -0.07 -1.98 0.14 0.00 0.56 0.00 0.00 36.38 35.03 3h39 s VAL 343 CO 0.89 -0.04 1.09 -0.94 -0.31 0.00 0.00 175.10 175.79 3h39 s SER 344 N -2.33 3.27 0.45 4.85 1.04 -1.26 -4.81 113.70 114.91 3h39 s SER 344 Ca 0.16 1.54 0.23 0.00 0.48 0.00 0.00 55.95 58.36 3h39 s SER 344 Cb -0.09 -2.21 1.04 0.00 0.10 0.00 0.00 66.02 64.86 3h39 s SER 344 CO 0.07 -2.78 1.89 0.78 0.98 0.00 0.00 173.24 174.19 3h39 h ASN 345 N -1.64 0.00 0.20 7.02 -0.26 -1.95 -1.53 115.58 117.41 3h39 h ASN 345 Ca -0.50 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.11 3h39 h ASN 345 Cb 1.29 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.53 3h39 h ASN 345 CO 0.53 0.24 -0.48 -0.33 -1.06 0.00 0.00 177.43 176.33 3h39 h GLU 346 N 0.00 0.33 -0.39 0.81 3.07 -1.92 0.31 114.58 116.79 3h39 h GLU 346 Ca -0.00 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.66 3h39 h GLU 346 Cb 0.62 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 3h39 h GLU 346 CO 0.03 0.74 0.17 1.15 -1.40 0.00 0.00 179.01 179.70 3h39 h THR 347 N 0.27 1.18 -0.60 1.13 2.02 -1.61 0.13 112.91 115.42 3h39 h THR 347 Ca 0.02 -0.54 0.02 0.00 0.77 0.00 0.00 66.41 66.67 3h39 h THR 347 Cb 0.94 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 3h39 h THR 347 CO 0.08 0.20 0.39 0.40 0.37 0.00 0.00 175.52 176.95 3h39 h ILE 348 N 0.49 1.11 -0.29 3.11 2.04 -1.33 0.67 117.51 123.31 3h39 h ILE 348 Ca 0.13 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.75 3h39 h ILE 348 Cb 0.15 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3h39 h ILE 348 CO -0.01 0.14 0.14 0.00 0.00 0.00 0.00 178.15 178.42 3h39 h HIS 350 N 0.29 0.90 -0.02 0.00 -0.00 -0.30 0.30 115.15 116.32 3h39 h HIS 350 Ca 0.12 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.53 3h39 h HIS 350 Cb 0.04 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.13 3h39 h HIS 350 CO -0.10 0.55 -0.08 0.74 -0.00 0.00 0.00 177.93 179.04 3h39 h PHE 351 N 0.96 -0.21 0.00 5.26 -1.00 -0.60 -1.92 116.94 119.43 3h39 h PHE 351 Ca 0.28 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.06 3h39 h PHE 351 Cb -0.07 0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.59 3h39 h PHE 351 CO -0.03 -0.13 0.01 -0.07 -1.61 0.00 0.00 178.31 176.48 3h39 h LEU 352 N -0.14 0.00 -2.19 1.54 3.38 -0.18 -1.17 115.31 116.55 3h39 h LEU 352 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h39 h LEU 352 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3h39 h LEU 352 CO -0.10 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.43 3h39 h ALA 353 N 1.98 1.00 0.00 1.53 0.00 -0.14 -2.53 119.26 121.11 3h39 h ALA 353 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h39 h ALA 353 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3h39 h ALA 353 CO 0.00 0.00 -0.64 0.66 0.00 0.00 0.00 179.25 179.27 3h39 n TYR 354 N -3.04 0.37 -4.34 0.00 4.02 -0.44 -4.40 117.16 109.34 3h39 n TYR 354 Ca -0.01 0.11 -0.18 0.00 -0.01 0.00 0.00 57.90 57.81 3h39 n TYR 354 Cb 0.18 -0.53 -0.10 0.00 -0.02 0.00 0.00 39.34 38.87 3h39 n TYR 354 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 3h39 s LEU 355 N -3.87 2.38 0.00 7.72 -0.00 -0.95 -5.08 118.68 118.88 3h39 s LEU 355 Ca 0.07 -1.14 0.03 0.00 -0.00 0.00 0.00 54.13 53.09 3h39 s LEU 355 Cb 0.15 -0.43 -0.01 0.00 -0.00 0.00 0.00 46.19 45.89 3h39 s LEU 355 CO 0.72 -0.39 0.24 -1.54 -0.00 0.00 0.00 176.35 175.39 3h39 n SER 356 N -0.41 -0.63 0.00 1.48 3.41 -1.26 -4.76 113.62 111.45 3h39 n SER 356 Ca -0.07 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 3h39 n SER 356 Cb 0.63 1.35 0.00 0.00 -0.26 0.00 0.00 64.21 65.92 3h39 n SER 356 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h39 n GLY 357 N -0.43 0.98 0.21 5.00 0.00 -1.26 -1.29 105.19 108.40 3h39 n GLY 357 Ca 0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 3h39 n GLY 357 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h39 h GLU 358 N 0.00 -0.05 -0.65 1.61 5.08 -2.00 0.36 114.58 118.92 3h39 h GLU 358 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.49 3h39 h GLU 358 Cb 0.00 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.17 3h39 h GLU 358 CO 0.00 -0.04 0.19 0.87 -1.00 0.00 0.00 179.01 179.03 3h39 h LYS 359 N -0.05 0.32 0.18 2.33 1.57 -1.95 -1.30 116.57 117.66 3h39 h LYS 359 Ca 0.20 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3h39 h LYS 359 Cb 0.37 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3h39 h LYS 359 CO -0.46 0.21 -0.28 1.49 -0.57 0.00 0.00 179.45 179.84 3h39 h GLU 360 N 0.32 -0.51 -0.47 3.15 4.81 0.43 0.15 114.58 122.47 3h39 h GLU 360 Ca 0.35 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.51 3h39 h GLU 360 Cb 0.52 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3h39 h GLU 360 CO -0.40 -0.34 -0.11 0.78 -0.73 0.00 0.00 179.01 178.21 3h39 h GLY 361 N -0.53 0.93 0.54 1.92 0.00 -1.33 -0.75 103.07 103.85 3h39 h GLY 361 Ca 0.02 -0.72 0.04 0.00 0.00 0.00 0.00 47.33 46.67 3h39 h GLY 361 CO -0.12 0.66 -0.09 -2.00 0.00 0.00 0.00 176.54 174.99 3h39 h LEU 362 N 0.77 -0.29 -1.12 3.11 6.46 -0.82 -0.06 115.31 123.36 3h39 h LEU 362 Ca 0.13 0.07 -0.07 0.00 -0.12 0.00 0.00 57.88 57.89 3h39 h LEU 362 Cb 0.62 0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.70 3h39 h LEU 362 CO 0.04 -0.12 -0.14 0.15 -0.62 0.00 0.00 178.44 177.75 3h39 h PHE 363 N -0.07 0.48 0.24 1.25 3.57 -0.71 -2.46 116.94 119.24 3h39 h PHE 363 Ca 0.10 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.53 3h39 h PHE 363 Cb 0.22 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 3h39 h PHE 363 CO -0.24 0.58 -0.41 0.87 -2.23 0.00 0.00 178.31 176.88 3h39 h LYS 364 N 0.41 -0.69 -0.93 1.11 1.57 -0.34 -2.05 116.57 115.65 3h39 h LYS 364 Ca 0.08 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 59.03 3h39 h LYS 364 Cb 0.50 0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.89 3h39 h LYS 364 CO 0.03 -0.46 0.59 0.66 -0.57 0.00 0.00 179.45 179.70 3h39 h SER 365 N -0.72 0.78 -0.27 0.86 4.64 -0.58 0.49 113.55 118.76 3h39 h SER 365 Ca -0.00 0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.39 3h39 h SER 365 Cb 0.70 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 3h39 h SER 365 CO -0.17 0.42 0.07 1.88 -0.87 0.00 0.00 176.83 178.16 3h39 h TYR 366 N 0.84 0.12 -0.56 4.77 0.99 -1.26 0.88 116.97 122.75 3h39 h TYR 366 Ca 0.46 0.02 0.05 0.00 2.00 0.00 0.00 58.73 61.26 3h39 h TYR 366 Cb 0.57 -0.01 -0.05 0.00 1.00 0.00 0.00 36.73 38.23 3h39 h TYR 366 CO -0.00 0.04 0.28 -0.07 -0.00 0.00 0.00 178.16 178.41 3h39 h LEU 367 N 0.18 0.39 0.11 3.88 4.07 -0.21 0.17 115.31 123.90 3h39 h LEU 367 Ca 0.12 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 3h39 h LEU 367 Cb 0.11 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.82 3h39 h LEU 367 CO -0.15 0.26 -0.05 -0.07 -1.08 0.00 0.00 178.44 177.35 3h39 h LEU 368 N 0.53 -0.13 -1.00 1.67 3.38 -1.03 -0.06 115.31 118.67 3h39 h LEU 368 Ca 0.25 -0.17 0.21 0.00 0.09 0.00 0.00 57.88 58.26 3h39 h LEU 368 Cb 0.18 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 40.85 3h39 h LEU 368 CO -0.18 0.09 0.60 0.50 0.09 0.00 0.00 178.44 179.54 3h39 h LYS 369 N -0.35 0.68 -0.29 1.13 3.64 -0.27 0.14 116.57 121.26 3h39 h LYS 369 Ca -0.02 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.19 3h39 h LYS 369 Cb 0.29 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3h39 h LYS 369 CO 0.03 0.45 -0.34 0.82 -2.27 0.00 0.00 179.45 178.14 3h39 h ILE 370 N 0.70 1.30 0.41 2.00 2.04 -0.41 -2.05 117.51 121.50 3h39 h ILE 370 Ca 0.60 -1.52 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 3h39 h ILE 370 Cb 0.99 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 3h39 h ILE 370 CO -0.41 0.49 -0.20 0.50 0.00 0.00 0.00 178.15 178.53 3h39 h LYS 371 N 0.48 -0.53 -0.16 2.37 3.64 0.85 -3.32 116.57 119.91 3h39 h LYS 371 Ca 0.04 0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 3h39 h LYS 371 Cb 0.92 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 3h39 h LYS 371 CO 0.08 -0.28 -0.47 -0.91 -2.27 0.00 0.00 179.45 175.60 3h39 h ASN 372 N -0.68 0.43 -0.94 4.20 2.35 -0.93 -3.35 115.58 116.66 3h39 h ASN 372 Ca -0.06 -0.21 -0.50 0.00 -0.55 0.00 0.00 56.30 54.99 3h39 h ASN 372 Cb 0.49 -0.12 -0.29 0.00 0.05 0.00 0.00 38.32 38.45 3h39 h ASN 372 CO 0.09 0.84 0.63 0.41 -1.65 0.00 0.00 177.43 177.76 3h39 n THR 373 N -3.98 3.11 1.72 2.81 -1.04 -0.77 -4.27 114.28 111.85 3h39 n THR 373 Ca -0.02 -1.87 0.03 0.00 -2.04 0.00 0.00 64.05 60.15 3h39 n THR 373 Cb 0.54 -0.54 0.17 0.00 -1.82 0.00 0.00 70.33 68.68 3h39 n THR 373 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3h39 n LYS 374 N -1.04 0.86 -2.42 -2.82 3.00 -1.25 -4.77 118.16 109.71 3h39 n LYS 374 Ca 0.57 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 58.47 3h39 n LYS 374 Cb 1.56 -1.10 -0.03 0.00 0.00 0.00 0.00 35.03 35.46 3h39 n LYS 374 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3h39 s LEU 375 N -1.21 3.25 0.04 3.14 1.43 -1.26 -4.75 118.68 119.33 3h39 s LEU 375 Ca 0.08 -0.11 0.26 0.00 -1.03 0.00 0.00 54.13 53.34 3h39 s LEU 375 Cb 0.04 -2.70 0.66 0.00 0.03 0.00 0.00 46.19 44.22 3h39 s LEU 375 CO 0.07 -1.89 1.54 -0.62 0.23 0.00 0.00 176.35 175.67 3h39 n GLU 376 N 9.13 0.09 0.00 1.70 1.02 -1.26 -4.97 120.64 126.35 3h39 n GLU 376 Ca 0.09 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3h39 n GLU 376 Cb 0.50 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3h39 n GLU 376 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3h39 n LYS 377 N -1.69 0.00 -0.35 3.49 5.02 -1.26 -2.61 118.16 120.76 3h39 n LYS 377 Ca 0.05 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.33 3h39 n LYS 377 Cb 0.37 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.42 3h39 n LYS 377 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3h39 h ILE 378 N 0.00 0.04 -3.52 -0.18 2.04 -1.99 -3.38 117.51 110.52 3h39 h ILE 378 Ca 0.00 0.00 -0.53 0.00 1.00 0.00 0.00 64.86 65.33 3h39 h ILE 378 Cb 0.00 0.04 0.08 0.00 -0.74 0.00 0.00 36.82 36.20 3h39 h ILE 378 CO 0.00 0.00 0.82 0.21 0.00 0.00 0.00 178.15 179.18 3h39 s ASN 379 N -5.31 6.44 -0.30 1.72 2.47 -1.07 -4.91 114.94 113.98 3h39 s ASN 379 Ca -0.14 2.90 0.19 0.00 0.42 0.00 0.00 52.86 56.23 3h39 s ASN 379 Cb 0.20 -2.64 0.47 0.00 -1.45 0.00 0.00 41.25 37.83 3h39 s ASN 379 CO 0.72 -0.84 1.18 0.61 -3.72 0.00 0.00 177.10 175.05 3h39 n GLY 380 N 1.68 1.73 3.89 1.21 0.00 -1.26 -4.85 105.19 107.59 3h39 n GLY 380 Ca 0.06 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3h39 n GLY 380 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h39 n GLU 381 N -0.66 0.00 -0.02 1.61 2.13 -1.26 -4.72 120.64 117.73 3h39 n GLU 381 Ca 0.02 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.71 3h39 n GLU 381 Cb 0.82 -2.50 -0.10 0.00 0.27 0.00 0.00 31.44 29.93 3h39 n GLU 381 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 3h39 h TYR 382 N 0.00 -0.02 -0.97 4.31 -1.99 -1.96 -3.11 116.97 113.23 3h39 h TYR 382 Ca 0.00 -0.00 0.25 0.00 2.00 0.00 0.00 58.73 60.98 3h39 h TYR 382 Cb 0.00 0.01 -0.07 0.00 2.00 0.00 0.00 36.73 38.67 3h39 h TYR 382 CO 0.00 0.54 0.65 -0.07 -0.00 0.00 0.00 178.16 179.29 3h39 h LEU 383 N -0.59 0.31 -0.26 3.88 4.07 -1.99 -0.51 115.31 120.21 3h39 h LEU 383 Ca -0.00 0.04 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 3h39 h LEU 383 Cb 0.57 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 3h39 h LEU 383 CO 0.00 0.09 0.15 0.40 -1.08 0.00 0.00 178.44 178.01 3h39 h ILE 384 N 0.29 1.11 -0.30 1.22 1.08 -1.87 -1.81 117.51 117.23 3h39 h ILE 384 Ca 0.51 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.70 3h39 h ILE 384 Cb 1.48 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 36.05 3h39 h ILE 384 CO -0.17 0.11 0.00 -1.14 -0.69 0.00 0.00 178.15 176.26 3h39 n ARG 385 N -4.85 2.28 -0.01 2.37 0.63 -0.34 -3.56 116.66 113.17 3h39 n ARG 385 Ca -0.02 -1.93 -0.12 0.00 -0.92 0.00 0.00 57.85 54.86 3h39 n ARG 385 Cb 0.07 -1.48 -0.10 0.00 0.45 0.00 0.00 32.46 31.40 3h39 n ARG 385 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3h39 h LYS 386 N 3.87 -0.06 -7.43 -0.14 1.57 -1.02 -3.45 116.57 109.91 3h39 h LYS 386 Ca 0.00 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.31 3h39 h LYS 386 Cb 0.85 0.01 0.13 0.00 0.08 0.00 0.00 32.23 33.30 3h39 h LYS 386 CO 0.00 0.57 0.30 0.20 -0.57 0.00 0.00 179.45 179.94 3h39 s GLY 387 N -3.58 1.60 0.00 3.86 0.00 -0.69 -4.97 107.32 103.53 3h39 s GLY 387 Ca -0.15 -0.34 -0.30 0.00 0.00 0.00 0.00 44.72 43.93 3h39 s GLY 387 CO 0.59 0.17 1.06 -1.50 0.00 0.00 0.00 173.10 173.42 3h39 s ILE 388 N -3.17 4.59 0.01 0.90 2.07 -1.26 -4.86 121.20 119.47 3h39 s ILE 388 Ca 0.63 1.86 -0.25 0.00 -1.41 0.00 0.00 60.65 61.48 3h39 s ILE 388 Cb -0.15 -4.19 0.06 0.00 0.13 0.00 0.00 42.46 38.30 3h39 s ILE 388 CO 0.54 0.12 0.55 0.42 -1.91 0.00 0.00 174.94 174.67 3h39 s THR 389 N 1.20 0.02 -0.02 4.00 -4.23 -1.26 -4.99 115.64 110.36 3h39 s THR 389 Ca 0.54 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 3h39 s THR 389 Cb -0.23 -0.94 0.02 0.00 1.34 0.00 0.00 72.50 72.69 3h39 s THR 389 CO 0.27 -0.10 0.02 -0.44 -0.54 0.00 0.00 174.62 173.83 3h39 s SER 390 N -1.63 0.09 1.80 3.99 0.01 -1.26 -4.96 113.70 111.74 3h39 s SER 390 Ca -0.08 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.20 3h39 s SER 390 Cb -0.01 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.15 3h39 s SER 390 CO 0.03 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.19 3h39 n GLY 391 N 3.91 3.85 0.35 3.44 0.00 -1.26 -3.36 105.19 112.12 3h39 n GLY 391 Ca -0.24 0.04 0.09 0.00 0.00 0.00 0.00 46.02 45.91 3h39 n GLY 391 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h39 h LYS 392 N 0.00 0.58 -0.81 1.61 2.10 -2.00 -0.25 116.57 117.81 3h39 h LYS 392 Ca 0.00 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 3h39 h LYS 392 Cb 0.00 -0.13 -0.04 0.00 -0.90 0.00 0.00 32.23 31.16 3h39 h LYS 392 CO 0.00 0.38 0.45 0.82 -2.00 0.00 0.00 179.45 179.11 3h39 h ILE 393 N 0.60 1.24 -0.57 0.07 2.04 -1.99 -2.06 117.51 116.83 3h39 h ILE 393 Ca 0.30 -0.57 0.11 0.00 1.00 0.00 0.00 64.86 65.70 3h39 h ILE 393 Cb 0.38 0.15 -0.11 0.00 -0.74 0.00 0.00 36.82 36.50 3h39 h ILE 393 CO -0.09 0.26 -0.12 0.40 0.00 0.00 0.00 178.15 178.60 3h39 h ILE 394 N 1.11 0.45 -0.02 -0.67 1.08 -1.19 -1.93 117.51 116.34 3h39 h ILE 394 Ca 0.28 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.75 3h39 h ILE 394 Cb 0.01 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 34.19 3h39 h ILE 394 CO -0.05 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.03 3h39 n GLY 395 N -1.39 -0.66 0.09 5.37 0.00 -0.81 -2.60 105.19 105.20 3h39 n GLY 395 Ca 0.06 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 3h39 n GLY 395 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h39 n GLU 396 N -0.56 0.98 -0.09 1.61 1.02 -0.77 -3.71 120.64 119.12 3h39 n GLU 396 Ca 0.19 0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.26 3h39 n GLU 396 Cb 0.17 -1.45 0.04 0.00 -0.02 0.00 0.00 31.44 30.18 3h39 n GLU 396 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 3h39 h VAL 397 N 0.00 1.28 0.00 2.62 -1.51 -1.44 -2.74 116.25 114.46 3h39 h VAL 397 Ca -0.49 -1.48 -0.04 0.00 -1.23 0.00 0.00 66.70 63.47 3h39 h VAL 397 Cb 2.02 1.35 -0.01 0.00 -2.13 0.00 0.00 31.29 32.52 3h39 h VAL 397 CO 0.00 0.49 -0.17 -0.07 -1.23 0.00 0.00 177.57 176.59 3h39 h LEU 398 N 0.67 0.00 0.20 4.19 -0.00 -1.68 -2.07 115.31 116.62 3h39 h LEU 398 Ca 0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 57.88 57.64 3h39 h LEU 398 Cb 0.87 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.55 3h39 h LEU 398 CO 0.08 0.17 -1.40 -0.08 -0.00 0.00 0.00 178.44 177.20 3h39 h GLU 399 N 0.00 0.42 -0.07 1.13 4.57 -1.61 -2.97 114.58 116.05 3h39 h GLU 399 Ca -0.00 -0.71 -0.14 0.00 -1.18 0.00 0.00 59.36 57.33 3h39 h GLU 399 Cb 0.37 0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 3h39 h GLU 399 CO 0.02 1.34 -0.56 0.87 -1.18 0.00 0.00 179.01 179.49 3h39 h LYS 400 N 0.11 0.21 0.14 1.92 1.57 -1.20 -2.39 116.57 116.92 3h39 h LYS 400 Ca -0.21 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 3h39 h LYS 400 Cb 2.08 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.41 3h39 h LYS 400 CO 0.24 0.72 -0.07 0.82 -0.57 0.00 0.00 179.45 180.59 3h39 h ILE 401 N 0.16 0.93 -0.61 1.86 2.04 -1.47 -3.13 117.51 117.28 3h39 h ILE 401 Ca -0.00 -0.24 0.12 0.00 1.00 0.00 0.00 64.86 65.74 3h39 h ILE 401 Cb 1.04 1.08 -0.11 0.00 -0.74 0.00 0.00 36.82 38.09 3h39 h ILE 401 CO 0.09 0.06 -0.12 0.25 0.00 0.00 0.00 178.15 178.43 3h39 h LEU 402 N -0.29 -0.50 0.45 1.44 6.46 -1.32 -2.90 115.31 118.66 3h39 h LEU 402 Ca -0.02 0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 3h39 h LEU 402 Cb 0.23 0.35 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 3h39 h LEU 402 CO 0.03 -0.18 -0.22 0.24 -0.62 0.00 0.00 178.44 177.69 3h39 h MET 403 N 0.02 -0.59 -1.04 1.25 2.86 -1.47 -2.99 114.93 112.97 3h39 h MET 403 Ca 0.30 0.04 0.40 0.00 -2.06 0.00 0.00 59.70 58.38 3h39 h MET 403 Cb 0.47 0.13 -0.17 0.00 0.06 0.00 0.00 31.60 32.09 3h39 h MET 403 CO -0.60 -0.32 0.59 0.87 1.06 0.00 0.00 176.91 178.50 3h39 h LYS 404 N -0.75 0.09 0.60 1.72 1.79 -1.46 0.15 116.57 118.72 3h39 h LYS 404 Ca -0.06 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 3h39 h LYS 404 Cb 0.53 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 31.17 3h39 h LYS 404 CO 0.10 0.06 -0.29 0.87 -1.08 0.00 0.00 179.45 179.11 3h39 h LYS 405 N 0.09 -0.78 -0.83 3.15 1.57 -1.45 -2.95 116.57 115.38 3h39 h LYS 405 Ca 0.82 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.78 3h39 h LYS 405 Cb 2.15 0.18 -0.13 0.00 0.08 0.00 0.00 32.23 34.50 3h39 h LYS 405 CO -0.69 -0.48 -0.32 1.28 -0.57 0.00 0.00 179.45 178.68 3h39 n LEU 406 N -5.39 -0.53 -0.03 2.94 4.77 0.52 -3.25 117.00 116.03 3h39 n LEU 406 Ca -0.12 1.44 -0.06 0.00 -0.03 0.00 0.00 56.01 57.24 3h39 n LEU 406 Cb 0.35 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 3h39 n LEU 406 CO 0.35 -1.30 0.17 0.44 -1.33 0.00 0.00 177.39 175.72 3h39 h ASP 407 N 0.00 -0.05 0.00 -1.43 3.45 -1.60 -3.46 116.42 113.33 3h39 h ASP 407 Ca 0.29 -0.34 0.00 0.00 0.43 0.00 0.00 57.03 57.42 3h39 h ASP 407 Cb 0.50 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.28 3h39 h ASP 407 CO -0.82 0.60 0.00 0.61 -1.57 0.00 0.00 179.24 178.06 3h39 n GLY 408 N 1.52 4.98 3.53 2.75 0.00 -1.11 -5.02 105.19 111.83 3h39 n GLY 408 Ca -0.04 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 3h39 n GLY 408 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3h39 s ASP 409 N 1.00 -0.33 0.00 1.61 1.47 -1.25 -4.14 116.67 115.02 3h39 s ASP 409 Ca 0.00 -0.03 0.00 0.00 1.18 0.00 0.00 52.55 53.70 3h39 s ASP 409 Cb 0.00 0.38 0.00 0.00 -0.34 0.00 0.00 42.92 42.96 3h39 s ASP 409 CO 0.00 -0.62 0.00 0.41 0.68 0.00 0.00 175.17 175.64 3h39 n THR 410 N -0.26 0.00 -4.32 2.11 -1.04 -1.26 -5.06 114.28 104.45 3h39 n THR 410 Ca -0.08 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.63 3h39 n THR 410 Cb 0.61 -0.01 -0.11 0.00 -1.82 0.00 0.00 70.33 69.01 3h39 n THR 410 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3h39 s ARG 411 N 1.14 1.99 0.00 -2.82 6.06 -1.26 -4.96 118.95 119.09 3h39 s ARG 411 Ca 0.00 -1.07 0.00 0.00 -2.50 0.00 0.00 55.73 52.16 3h39 s ARG 411 Cb 0.00 -2.22 0.00 0.00 0.06 0.00 0.00 34.95 32.79 3h39 s ARG 411 CO 0.00 0.50 0.00 -0.25 -2.50 0.00 0.00 175.30 173.05 3h39 n ASP 412 N 0.88 0.00 -0.45 -2.12 10.43 -1.26 -1.61 116.55 122.43 3h39 n ASP 412 Ca -0.15 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.21 3h39 n ASP 412 Cb 0.52 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.48 3h39 n ASP 412 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3h39 n GLU 413 N 0.00 0.00 -0.25 -1.24 1.02 -1.26 -4.64 120.64 114.27 3h39 n GLU 413 Ca 0.00 -0.91 0.02 0.00 -0.02 0.00 0.00 57.16 56.25 3h39 n GLU 413 Cb 0.00 -0.48 0.24 0.00 -0.02 0.00 0.00 31.44 31.18 3h39 n GLU 413 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3h39 h GLU 414 N 0.00 1.00 0.00 3.49 4.57 -1.70 0.47 114.58 122.41 3h39 h GLU 414 Ca 0.00 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 3h39 h GLU 414 Cb 1.34 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 3h39 h GLU 414 CO 0.00 0.66 -0.17 1.05 -1.18 0.00 0.00 179.01 179.36 3h39 h GLU 415 N 1.03 0.00 0.15 1.92 4.11 -1.84 0.77 114.58 120.72 3h39 h GLU 415 Ca 0.32 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.74 3h39 h GLU 415 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3h39 h GLU 415 CO -0.09 0.17 -0.07 0.82 0.07 0.00 0.00 179.01 179.91 3h39 h ILE 416 N 0.00 1.00 0.00 -1.06 2.04 -0.38 -2.91 117.51 116.20 3h39 h ILE 416 Ca -0.00 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3h39 h ILE 416 Cb 0.34 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3h39 h ILE 416 CO 0.02 0.19 0.00 -0.07 0.00 0.00 0.00 178.15 178.29 3h39 h LEU 417 N -0.61 0.00 -1.11 1.44 3.38 -0.91 -2.54 115.31 114.96 3h39 h LEU 417 Ca -0.02 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.99 3h39 h LEU 417 Cb 0.46 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 3h39 h LEU 417 CO 0.03 0.00 0.60 -0.33 0.09 0.00 0.00 178.44 178.84 3h39 h GLU 418 N 0.00 1.12 0.00 1.13 5.08 0.68 -2.65 114.58 119.94 3h39 h GLU 418 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3h39 h GLU 418 Cb 0.61 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3h39 h GLU 418 CO 0.00 0.74 -0.91 0.39 -1.00 0.00 0.00 179.01 178.23 3h39 n GLU 419 N -4.44 1.20 0.10 2.33 -0.58 -1.11 -1.50 120.64 116.63 3h39 n GLU 419 Ca 0.12 -0.01 0.13 0.00 -0.42 0.00 0.00 57.16 56.98 3h39 n GLU 419 Cb 0.11 -1.33 0.34 0.00 -0.57 0.00 0.00 31.44 29.99 3h39 n GLU 419 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3h39 n VAL 420 N -1.47 0.56 0.32 2.62 0.24 -0.97 -1.32 118.33 118.31 3h39 n VAL 420 Ca 0.03 -0.29 0.03 0.00 -2.04 0.00 0.00 64.34 62.07 3h39 n VAL 420 Cb 0.29 -0.48 -0.03 0.00 -1.47 0.00 0.00 33.84 32.14 3h39 n VAL 420 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3h39 n LEU 421 N -2.26 0.42 -0.04 1.34 7.94 -1.00 -2.91 117.00 120.49 3h39 n LEU 421 Ca 0.05 -0.54 -0.15 0.00 -1.11 0.00 0.00 56.01 54.27 3h39 n LEU 421 Cb 0.44 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.25 3h39 n LEU 421 CO 0.32 0.10 -0.87 0.00 -1.11 0.00 0.00 177.39 175.83 3h39 n ALA 422 N -1.04 1.28 0.22 1.96 0.00 -0.56 -3.74 120.51 118.62 3h39 n ALA 422 Ca 0.02 -0.86 0.12 0.00 0.00 0.00 0.00 53.44 52.71 3h39 n ALA 422 Cb 0.11 -0.55 0.10 0.00 0.00 0.00 0.00 19.45 19.11 3h39 n ALA 422 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h39 h SER 423 N 0.02 0.00 -0.60 0.00 0.87 -1.41 -3.12 113.55 109.31 3h39 h SER 423 Ca -0.43 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.04 3h39 h SER 423 Cb 2.04 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.98 3h39 h SER 423 CO 0.05 0.01 0.11 0.25 -0.53 0.00 0.00 176.83 176.72 3h39 h LEU 424 N 0.00 0.95 0.00 2.23 6.46 -1.70 -3.50 115.31 119.76 3h39 h LEU 424 Ca 0.00 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 3h39 h LEU 424 Cb 0.96 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 3h39 h LEU 424 CO 0.00 0.96 0.00 -1.84 -0.62 0.00 0.00 178.44 176.94