#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ju5 s ASN 3 N 0.00 6.49 0.28 0.00 3.84 -1.26 -4.91 114.94 119.38 3ju5 s ASN 3 Ca 0.00 0.12 0.22 0.00 0.21 0.00 0.00 52.86 53.41 3ju5 s ASN 3 Cb 0.00 -2.51 1.04 0.00 -0.55 0.00 0.00 41.25 39.23 3ju5 s ASN 3 CO 0.00 -1.27 1.67 0.18 -2.79 0.00 0.00 177.10 174.89 3ju5 n LEU 4 N 7.79 0.59 0.04 3.21 4.77 -1.26 -1.50 117.00 130.65 3ju5 n LEU 4 Ca 0.08 0.70 0.12 0.00 -0.03 0.00 0.00 56.01 56.89 3ju5 n LEU 4 Cb 0.49 -0.69 0.30 0.00 -2.33 0.00 0.00 43.42 41.19 3ju5 n LEU 4 CO 0.68 -0.74 0.56 0.59 -1.33 0.00 0.00 177.39 177.15 3ju5 n ASN 5 N -2.22 0.53 -0.31 -1.43 5.03 -1.26 -3.95 115.26 111.65 3ju5 n ASN 5 Ca 0.00 0.13 0.04 0.00 0.87 0.00 0.00 54.58 55.63 3ju5 n ASN 5 Cb 0.13 -0.05 0.19 0.00 -1.02 0.00 0.00 39.78 39.03 3ju5 n ASN 5 CO 0.00 0.00 0.00 -0.61 -1.83 0.00 0.00 177.26 174.82 3ju5 h GLN 6 N 0.00 0.81 0.00 3.52 4.15 -1.68 -0.53 115.11 121.38 3ju5 h GLN 6 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3ju5 h GLN 6 Cb 0.63 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.13 3ju5 h GLN 6 CO 0.00 0.53 0.00 1.57 -1.93 0.00 0.00 178.83 179.00 3ju5 h LYS 7 N 0.83 0.00 0.00 1.69 2.10 -1.76 -1.97 116.57 117.46 3ju5 h LYS 7 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 3ju5 h LYS 7 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 3ju5 h LYS 7 CO -0.26 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 178.82 3ju5 n LYS 8 N -2.32 0.25 -3.73 0.07 5.02 -0.20 -4.86 118.16 112.39 3ju5 n LYS 8 Ca -0.00 0.23 -0.29 0.00 -2.02 0.00 0.00 58.31 56.23 3ju5 n LYS 8 Cb 0.12 -1.80 -0.04 0.00 -0.02 0.00 0.00 35.03 33.29 3ju5 n LYS 8 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3ju5 s TYR 9 N -3.12 3.49 0.49 2.13 2.02 -0.74 -5.07 117.35 116.55 3ju5 s TYR 9 Ca 0.10 0.37 -0.24 0.00 -0.37 0.00 0.00 57.07 56.94 3ju5 s TYR 9 Cb 0.12 -1.87 -0.07 0.00 -0.40 0.00 0.00 41.96 39.75 3ju5 s TYR 9 CO 0.58 0.42 1.37 -2.14 -1.57 0.00 0.00 175.55 174.21 3ju5 s PRO 10 N -3.08 3.45 0.42 -1.71 0.02 -1.26 -4.87 135.00 127.97 3ju5 s PRO 10 Ca 0.38 2.29 0.10 0.00 0.02 0.00 0.00 61.00 63.79 3ju5 s PRO 10 Cb -0.11 -2.46 0.91 0.00 0.02 0.00 0.00 34.50 32.85 3ju5 s PRO 10 CO 0.28 -0.96 2.02 0.00 -0.33 0.00 0.00 177.00 178.01 3ju5 h ALA 11 N 1.92 1.69 0.00 -1.55 0.00 -1.94 -0.56 119.26 118.82 3ju5 h ALA 11 Ca -0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 3ju5 h ALA 11 Cb 1.28 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ju5 h ALA 11 CO 0.59 0.25 -0.02 1.57 0.00 0.00 0.00 179.25 181.63 3ju5 h LYS 12 N 0.33 0.00 0.00 0.00 2.10 -1.92 -0.70 116.57 116.38 3ju5 h LYS 12 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 3ju5 h LYS 12 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 3ju5 h LYS 12 CO -0.01 0.02 0.00 -0.44 -2.00 0.00 0.00 179.45 177.03 3ju5 h ASP 13 N 0.00 0.00 0.20 7.07 3.32 -1.45 -3.15 116.42 122.41 3ju5 h ASP 13 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ju5 h ASP 13 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3ju5 h ASP 13 CO 0.00 0.00 -1.40 0.47 -1.72 0.00 0.00 179.24 176.59 3ju5 n ASP 14 N -2.96 0.48 -4.68 6.45 8.00 -0.44 -4.98 116.55 118.42 3ju5 n ASP 14 Ca 0.03 -0.27 -0.46 0.00 0.71 0.00 0.00 54.79 54.79 3ju5 n ASP 14 Cb 0.43 1.29 -0.04 0.00 -0.02 0.00 0.00 41.12 42.78 3ju5 n ASP 14 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3ju5 n PHE 15 N -2.02 2.34 -1.68 1.24 7.35 -0.40 -4.91 117.46 119.38 3ju5 n PHE 15 Ca -0.00 0.11 -0.38 0.00 -0.76 0.00 0.00 57.45 56.42 3ju5 n PHE 15 Cb 0.47 -2.61 0.06 0.00 0.35 0.00 0.00 39.48 37.75 3ju5 n PHE 15 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3ju5 n PRO 16 N 4.96 1.10 -2.99 -7.13 -0.02 -1.26 -4.94 135.00 124.72 3ju5 n PRO 16 Ca 0.19 0.43 -0.43 0.00 -2.02 0.00 0.00 63.50 61.67 3ju5 n PRO 16 Cb 0.30 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.35 3ju5 n PRO 16 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3ju5 s ASN 17 N -1.25 6.30 -0.18 2.55 3.84 -1.26 -4.91 114.94 120.03 3ju5 s ASN 17 Ca 0.78 -0.54 0.14 0.00 0.21 0.00 0.00 52.86 53.44 3ju5 s ASN 17 Cb -0.40 -2.37 0.71 0.00 -0.55 0.00 0.00 41.25 38.64 3ju5 s ASN 17 CO 0.44 -1.04 1.59 0.49 -2.79 0.00 0.00 177.10 175.80 3ju5 n PHE 18 N 6.82 1.71 -1.71 0.43 3.72 -1.26 -4.93 117.46 122.24 3ju5 n PHE 18 Ca -0.02 -0.61 -0.43 0.00 -0.05 0.00 0.00 57.45 56.34 3ju5 n PHE 18 Cb 0.47 -0.40 -0.03 0.00 -0.94 0.00 0.00 39.48 38.58 3ju5 n PHE 18 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3ju5 n GLU 19 N 0.69 2.71 -0.12 -1.08 2.13 -1.26 -1.30 120.64 122.41 3ju5 n GLU 19 Ca 0.24 0.98 0.00 0.00 0.66 0.00 0.00 57.16 59.04 3ju5 n GLU 19 Cb 1.01 -2.83 0.00 0.00 0.27 0.00 0.00 31.44 29.89 3ju5 n GLU 19 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ju5 n GLY 20 N 3.98 1.68 3.78 8.31 0.00 -1.26 -5.04 105.19 116.64 3ju5 n GLY 20 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3ju5 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ju5 s HIS 21 N -2.74 3.09 -0.17 1.61 3.76 -0.42 -4.82 115.29 115.59 3ju5 s HIS 21 Ca 0.00 1.60 0.16 0.00 -0.15 0.00 0.00 55.06 56.67 3ju5 s HIS 21 Cb 0.00 -3.16 0.34 0.00 1.11 0.00 0.00 32.58 30.87 3ju5 s HIS 21 CO 0.00 -0.89 1.22 1.63 -0.85 0.00 0.00 174.74 175.85 3ju5 n LYS 22 N -0.48 1.97 -3.44 1.40 4.76 -0.18 -5.00 118.16 117.20 3ju5 n LYS 22 Ca 0.07 -2.56 -0.27 0.00 -2.87 0.00 0.00 58.31 52.68 3ju5 n LYS 22 Cb 0.50 -1.56 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 3ju5 n LYS 22 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3ju5 s SER 23 N -2.37 6.40 0.46 4.39 1.04 -1.21 -4.62 113.70 117.78 3ju5 s SER 23 Ca 0.32 0.58 0.15 0.00 0.48 0.00 0.00 55.95 57.48 3ju5 s SER 23 Cb 0.27 -2.09 1.04 0.00 0.10 0.00 0.00 66.02 65.35 3ju5 s SER 23 CO 0.05 -0.17 2.00 -0.07 0.98 0.00 0.00 173.24 176.03 3ju5 h LEU 24 N 1.59 0.00 0.04 2.42 3.38 -1.03 -2.00 115.31 119.71 3ju5 h LEU 24 Ca -0.48 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.51 3ju5 h LEU 24 Cb 1.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 3ju5 h LEU 24 CO 0.66 0.17 -0.18 0.25 0.09 0.00 0.00 178.44 179.43 3ju5 h LEU 25 N 0.00 -0.52 -1.25 1.67 5.85 -1.63 -1.29 115.31 118.14 3ju5 h LEU 25 Ca -0.00 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 3ju5 h LEU 25 Cb 0.31 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3ju5 h LEU 25 CO 0.02 -0.25 -0.06 0.77 -0.34 0.00 0.00 178.44 178.58 3ju5 h SER 26 N -0.32 0.41 -0.42 1.25 4.64 -1.78 -0.41 113.55 116.93 3ju5 h SER 26 Ca 0.04 -0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 61.15 3ju5 h SER 26 Cb 0.37 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3ju5 h SER 26 CO -0.14 0.53 -0.25 0.50 -0.87 0.00 0.00 176.83 176.59 3ju5 h LYS 27 N 0.42 0.91 0.00 4.77 3.64 -0.92 -3.37 116.57 122.01 3ju5 h LYS 27 Ca 0.09 -0.42 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 3ju5 h LYS 27 Cb 0.37 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3ju5 h LYS 27 CO 0.02 1.07 -1.99 0.66 -2.27 0.00 0.00 179.45 176.94 3ju5 n TYR 28 N -4.16 0.00 -2.76 1.91 4.01 -0.53 -4.76 117.16 110.87 3ju5 n TYR 28 Ca -0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.30 3ju5 n TYR 28 Cb 0.47 -0.51 -0.03 0.00 -0.31 0.00 0.00 39.34 38.95 3ju5 n TYR 28 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3ju5 s LEU 29 N -4.53 4.33 0.85 7.72 2.96 -0.18 -4.94 118.68 124.88 3ju5 s LEU 29 Ca -0.08 -1.71 -0.12 0.00 -0.22 0.00 0.00 54.13 52.00 3ju5 s LEU 29 Cb 0.13 -2.48 0.10 0.00 0.50 0.00 0.00 46.19 44.44 3ju5 s LEU 29 CO 0.87 -1.29 1.10 0.42 -1.32 0.00 0.00 176.35 176.13 3ju5 s THR 30 N 3.78 2.84 0.21 3.68 -4.23 -1.26 -4.85 115.64 115.81 3ju5 s THR 30 Ca 0.38 0.27 -0.10 0.00 -1.18 0.00 0.00 61.69 61.06 3ju5 s THR 30 Cb -0.03 -2.89 0.16 0.00 1.34 0.00 0.00 72.50 71.08 3ju5 s THR 30 CO -0.08 -0.36 1.70 0.00 -0.54 0.00 0.00 174.62 175.34 3ju5 h ALA 31 N -1.32 0.69 0.00 3.99 0.00 -1.99 -0.96 119.26 119.67 3ju5 h ALA 31 Ca -0.48 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3ju5 h ALA 31 Cb 1.28 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3ju5 h ALA 31 CO 0.57 -0.32 0.00 -0.25 0.00 0.00 0.00 179.25 179.25 3ju5 n ASP 32 N -5.15 1.80 0.00 0.00 8.00 -1.26 -1.44 116.55 118.50 3ju5 n ASP 32 Ca 0.09 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.41 3ju5 n ASP 32 Cb 0.32 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3ju5 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ju5 n TYR 34 N 0.87 0.00 -0.04 1.24 9.36 -0.37 -1.43 117.16 126.80 3ju5 n TYR 34 Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 3ju5 n TYR 34 Cb 0.27 0.00 0.26 0.00 -0.63 0.00 0.00 39.34 39.24 3ju5 n TYR 34 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ju5 h ALA 35 N 0.00 1.32 -0.86 2.98 0.00 -1.50 0.72 119.26 121.92 3ju5 h ALA 35 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3ju5 h ALA 35 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3ju5 h ALA 35 CO 0.00 0.47 0.46 -0.22 0.00 0.00 0.00 179.25 179.96 3ju5 h LYS 36 N 0.59 1.21 -0.01 0.00 3.64 -1.51 -3.34 116.57 117.14 3ju5 h LYS 36 Ca 0.13 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3ju5 h LYS 36 Cb 0.32 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3ju5 h LYS 36 CO 0.01 0.89 -0.15 1.28 -2.27 0.00 0.00 179.45 179.21 3ju5 n LEU 37 N -4.33 1.42 -0.35 5.20 4.77 -0.92 -4.64 117.00 118.15 3ju5 n LEU 37 Ca 0.09 -0.83 0.06 0.00 -0.03 0.00 0.00 56.01 55.29 3ju5 n LEU 37 Cb 0.11 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.41 3ju5 n LEU 37 CO 0.39 0.28 1.22 -0.09 -1.33 0.00 0.00 177.39 177.86 3ju5 h ARG 38 N 1.42 0.96 -0.50 3.23 2.43 -1.00 -2.38 114.38 118.54 3ju5 h ARG 38 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3ju5 h ARG 38 Cb 0.38 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3ju5 h ARG 38 CO 0.00 0.63 0.00 -0.25 -1.51 0.00 0.00 179.97 178.84 3ju5 n ASP 39 N -4.63 3.92 -4.62 -3.80 8.00 -1.26 -4.53 116.55 109.64 3ju5 n ASP 39 Ca 0.18 -2.34 -0.39 0.00 0.71 0.00 0.00 54.79 52.94 3ju5 n ASP 39 Cb 0.32 -0.45 -0.09 0.00 -0.02 0.00 0.00 41.12 40.88 3ju5 n ASP 39 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ju5 s VAL 40 N -1.63 5.18 0.13 2.53 1.01 -0.90 -5.09 120.40 121.63 3ju5 s VAL 40 Ca 0.40 0.60 0.06 0.00 0.00 0.00 0.00 61.98 63.04 3ju5 s VAL 40 Cb 0.25 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3ju5 s VAL 40 CO 0.20 0.17 0.02 0.00 0.00 0.00 0.00 175.10 175.49 3ju5 s ALA 41 N 1.97 3.30 0.96 5.51 0.00 -1.26 -4.22 121.76 128.01 3ju5 s ALA 41 Ca 0.16 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 50.78 3ju5 s ALA 41 Cb -0.16 -1.15 0.17 0.00 0.00 0.00 0.00 23.12 21.98 3ju5 s ALA 41 CO 0.09 0.60 1.09 0.95 0.00 0.00 0.00 175.76 178.49 3ju5 s THR 42 N -1.52 2.37 0.52 0.00 -4.23 -0.15 -4.89 115.64 107.74 3ju5 s THR 42 Ca 0.27 0.12 0.39 0.00 -1.18 0.00 0.00 61.69 61.29 3ju5 s THR 42 Cb -0.11 -2.55 0.41 0.00 1.34 0.00 0.00 72.50 71.59 3ju5 s THR 42 CO 0.19 -0.16 2.25 -0.65 -0.54 0.00 0.00 174.62 175.72 3ju5 h PRO 43 N -1.79 0.00 -0.01 3.99 0.11 -1.96 -0.81 132.00 131.53 3ju5 h PRO 43 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3ju5 h PRO 43 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3ju5 h PRO 43 CO 0.55 0.02 -0.01 -1.13 -0.21 0.00 0.00 178.00 177.21 3ju5 n SER 44 N -3.24 1.41 0.00 -2.05 3.41 -1.26 -4.95 113.62 106.94 3ju5 n SER 44 Ca -0.02 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 3ju5 n SER 44 Cb 0.14 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3ju5 n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ju5 n GLY 45 N 1.18 0.68 3.76 5.00 0.00 -0.31 -5.06 105.19 110.44 3ju5 n GLY 45 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3ju5 n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ju5 s TYR 46 N -2.25 3.74 0.36 1.61 5.04 -1.26 -4.70 117.35 119.88 3ju5 s TYR 46 Ca 0.00 1.80 0.08 0.00 -2.44 0.00 0.00 57.07 56.51 3ju5 s TYR 46 Cb 0.00 -3.10 -0.04 0.00 0.35 0.00 0.00 41.96 39.17 3ju5 s TYR 46 CO 0.00 -0.05 0.21 0.95 -1.34 0.00 0.00 175.55 175.32 3ju5 s THR 47 N -1.27 2.95 0.12 4.34 -4.23 -1.26 -0.98 115.64 115.31 3ju5 s THR 47 Ca 0.45 -1.58 -0.17 0.00 -1.18 0.00 0.00 61.69 59.21 3ju5 s THR 47 Cb -0.27 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.52 3ju5 s THR 47 CO 0.34 -0.12 1.63 0.25 -0.54 0.00 0.00 174.62 176.18 3ju5 h LEU 48 N 1.39 0.51 -0.54 4.79 5.85 -1.80 -2.25 115.31 123.27 3ju5 h LEU 48 Ca -0.43 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.13 3ju5 h LEU 48 Cb 1.25 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 3ju5 h LEU 48 CO 0.62 0.58 0.26 0.44 -0.34 0.00 0.00 178.44 180.01 3ju5 h ASP 49 N 0.41 0.36 -0.61 1.25 5.19 -1.92 -1.68 116.42 119.42 3ju5 h ASP 49 Ca 0.11 0.04 0.06 0.00 -0.62 0.00 0.00 57.03 56.62 3ju5 h ASP 49 Cb 0.26 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.69 3ju5 h ASP 49 CO -0.00 0.24 0.32 0.03 -3.12 0.00 0.00 179.24 176.71 3ju5 h ARG 50 N 0.50 0.59 -0.45 3.56 2.47 -1.92 -1.43 114.38 117.69 3ju5 h ARG 50 Ca 0.25 -0.04 0.04 0.00 -1.26 0.00 0.00 59.98 58.97 3ju5 h ARG 50 Cb 0.18 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.35 3ju5 h ARG 50 CO -0.19 0.39 0.30 0.00 0.56 0.00 0.00 179.97 181.03 3ju5 h ALA 51 N 1.33 1.87 -0.02 0.04 0.00 -0.75 -2.89 119.26 118.83 3ju5 h ALA 51 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3ju5 h ALA 51 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ju5 h ALA 51 CO -0.18 0.07 -0.12 0.44 0.00 0.00 0.00 179.25 179.46 3ju5 n ILE 52 N -4.48 0.00 -0.02 0.00 -5.35 -0.71 -1.50 119.36 107.31 3ju5 n ILE 52 Ca 0.05 -0.44 0.03 0.00 -0.27 0.00 0.00 62.75 62.12 3ju5 n ILE 52 Cb 0.19 1.35 0.38 0.00 -1.74 0.00 0.00 39.64 39.82 3ju5 n ILE 52 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3ju5 h GLN 53 N 3.27 0.58 -0.65 6.28 5.75 -1.04 -0.78 115.11 128.51 3ju5 h GLN 53 Ca 0.00 -0.05 0.08 0.00 -0.15 0.00 0.00 58.65 58.53 3ju5 h GLN 53 Cb 0.75 -0.12 -0.07 0.00 1.07 0.00 0.00 27.48 29.11 3ju5 h GLN 53 CO 0.00 0.43 0.31 -0.97 -2.65 0.00 0.00 178.83 175.95 3ju5 h ASN 54 N 0.59 0.39 -0.12 -0.69 -0.73 -1.74 -0.96 115.58 112.32 3ju5 h ASN 54 Ca 0.15 0.06 -0.09 0.00 1.87 0.00 0.00 56.30 58.29 3ju5 h ASN 54 Cb 0.02 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.61 3ju5 h ASN 54 CO -0.03 0.23 -0.29 1.23 -0.37 0.00 0.00 177.43 178.21 3ju5 h GLY 55 N 0.54 0.44 1.60 1.57 0.00 -0.52 -3.21 103.07 103.50 3ju5 h GLY 55 Ca 0.32 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 47.11 3ju5 h GLY 55 CO -0.26 0.49 0.25 -2.08 0.00 0.00 0.00 176.54 174.95 3ju5 h VAL 56 N -0.02 1.08 0.00 4.60 2.07 -0.83 -1.96 116.25 121.19 3ju5 h VAL 56 Ca -0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3ju5 h VAL 56 Cb 0.90 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3ju5 h VAL 56 CO 0.06 0.09 -0.24 0.47 0.02 0.00 0.00 177.57 177.97 3ju5 n ASP 57 N -4.48 0.66 -3.40 0.57 9.92 -0.40 -4.58 116.55 114.84 3ju5 n ASP 57 Ca 0.03 0.36 -0.27 0.00 -0.53 0.00 0.00 54.79 54.38 3ju5 n ASP 57 Cb 0.08 -0.37 -0.10 0.00 -0.64 0.00 0.00 41.12 40.09 3ju5 n ASP 57 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3ju5 s ASN 58 N -4.14 1.47 0.63 -2.24 0.01 -0.74 -4.99 114.94 104.94 3ju5 s ASN 58 Ca 0.10 -3.04 0.38 0.00 -0.71 0.00 0.00 52.86 49.58 3ju5 s ASN 58 Cb 0.14 -0.44 2.12 0.00 0.41 0.00 0.00 41.25 43.49 3ju5 s ASN 58 CO 0.64 -0.17 2.30 1.55 -1.51 0.00 0.00 177.10 179.90 3ju5 h PRO 59 N 5.68 0.00 0.00 -0.60 0.13 -1.81 -1.63 132.00 133.77 3ju5 h PRO 59 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 3ju5 h PRO 59 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3ju5 h PRO 59 CO 0.37 0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 177.75 3ju5 n ASP 60 N -3.38 0.06 -4.77 1.44 5.75 -1.26 -1.01 116.55 113.38 3ju5 n ASP 60 Ca -0.03 0.51 -0.38 0.00 -0.01 0.00 0.00 54.79 54.88 3ju5 n ASP 60 Cb 0.10 -0.52 -0.03 0.00 -1.03 0.00 0.00 41.12 39.63 3ju5 n ASP 60 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3ju5 s PHE 61 N -3.01 3.19 0.05 2.11 0.40 -0.61 -4.87 117.98 115.24 3ju5 s PHE 61 Ca 0.12 1.60 0.11 0.00 -0.60 0.00 0.00 56.93 58.16 3ju5 s PHE 61 Cb 0.17 -3.31 0.01 0.00 0.51 0.00 0.00 43.02 40.39 3ju5 s PHE 61 CO 0.48 -1.03 1.40 1.25 0.70 0.00 0.00 175.22 178.02 3ju5 h HIS 62 N 2.76 0.00 0.00 0.36 2.76 -1.90 -3.21 115.15 115.93 3ju5 h HIS 62 Ca -0.48 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 3ju5 h HIS 62 Cb 1.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.19 3ju5 h HIS 62 CO 0.56 0.75 0.00 -0.11 -1.30 0.00 0.00 177.93 177.84 3ju5 n LEU 63 N -3.37 0.00 0.00 0.26 7.94 -1.26 -0.77 117.00 119.80 3ju5 n LEU 63 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3ju5 n LEU 63 Cb 0.81 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 44.56 3ju5 n LEU 63 CO 0.44 -0.42 0.00 0.61 -1.11 0.00 0.00 177.39 176.91 3ju5 n GLY 64 N 2.66 0.68 3.25 -3.96 0.00 -1.26 -1.93 105.19 104.63 3ju5 n GLY 64 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3ju5 n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ju5 s LEU 65 N 0.00 2.26 -0.02 0.99 1.43 -1.26 -1.40 118.68 120.68 3ju5 s LEU 65 Ca 0.00 -0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 52.45 3ju5 s LEU 65 Cb 0.00 -0.83 0.01 0.00 0.03 0.00 0.00 46.19 45.40 3ju5 s LEU 65 CO 0.00 0.06 0.07 -0.76 0.23 0.00 0.00 176.35 175.94 3ju5 s LEU 66 N -1.68 1.75 0.18 1.79 1.43 -0.56 -4.47 118.68 117.12 3ju5 s LEU 66 Ca 0.05 0.12 -0.28 0.00 -1.03 0.00 0.00 54.13 52.99 3ju5 s LEU 66 Cb -0.10 0.23 -0.08 0.00 0.03 0.00 0.00 46.19 46.28 3ju5 s LEU 66 CO 0.03 -0.03 0.86 0.00 0.23 0.00 0.00 176.35 177.44 3ju5 s ALA 67 N -0.02 3.38 -0.37 4.21 0.00 -0.17 -4.51 121.76 124.28 3ju5 s ALA 67 Ca -0.01 0.48 0.22 0.00 0.00 0.00 0.00 51.96 52.65 3ju5 s ALA 67 Cb -0.01 -3.09 -0.16 0.00 0.00 0.00 0.00 23.12 19.86 3ju5 s ALA 67 CO 0.00 0.20 0.79 0.41 0.00 0.00 0.00 175.76 177.16 3ju5 n GLY 68 N 1.71 -1.13 3.81 0.00 0.00 -1.26 -4.52 105.19 103.80 3ju5 n GLY 68 Ca -0.03 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 3ju5 n GLY 68 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ju5 s ASP 69 N -4.24 -0.26 0.36 1.61 1.47 -1.26 -0.65 116.67 113.70 3ju5 s ASP 69 Ca -0.01 -0.53 0.05 0.00 1.18 0.00 0.00 52.55 53.24 3ju5 s ASP 69 Cb 0.14 0.67 0.72 0.00 -0.34 0.00 0.00 42.92 44.11 3ju5 s ASP 69 CO 0.85 -1.23 1.96 -0.08 0.68 0.00 0.00 175.17 177.36 3ju5 h GLU 70 N 2.00 0.76 0.00 2.11 4.81 -1.97 -2.43 114.58 119.85 3ju5 h GLU 70 Ca -0.21 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3ju5 h GLU 70 Cb 1.25 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3ju5 h GLU 70 CO 0.24 0.50 0.00 0.93 -0.73 0.00 0.00 179.01 179.95 3ju5 h GLU 71 N 0.78 0.00 -1.02 1.92 3.07 -2.01 -3.13 114.58 114.19 3ju5 h GLU 71 Ca 0.31 0.00 0.26 0.00 -0.50 0.00 0.00 59.36 59.43 3ju5 h GLU 71 Cb 0.22 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.01 3ju5 h GLU 71 CO -0.10 0.00 0.61 1.15 -1.40 0.00 0.00 179.01 179.27 3ju5 h THR 72 N 0.00 0.51 0.00 1.13 2.02 -1.83 0.13 112.91 114.87 3ju5 h THR 72 Ca 0.00 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 3ju5 h THR 72 Cb 0.61 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3ju5 h THR 72 CO 0.00 0.10 -0.37 1.88 0.37 0.00 0.00 175.52 177.49 3ju5 h TYR 73 N 0.53 0.00 0.04 3.16 0.05 -1.75 -1.40 116.97 117.59 3ju5 h TYR 73 Ca 0.65 0.00 -0.38 0.00 0.05 0.00 0.00 58.73 59.05 3ju5 h TYR 73 Cb 1.32 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 39.01 3ju5 h TYR 73 CO -0.01 0.37 -2.21 0.25 -1.05 0.00 0.00 178.16 175.52 3ju5 n THR 74 N -3.78 1.59 -0.32 -2.88 -2.24 -0.47 -3.11 114.28 103.07 3ju5 n THR 74 Ca -0.01 -0.49 0.04 0.00 -2.27 0.00 0.00 64.05 61.32 3ju5 n THR 74 Cb 0.45 -1.67 0.23 0.00 -2.10 0.00 0.00 70.33 67.24 3ju5 n THR 74 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3ju5 h VAL 75 N -0.29 1.05 -0.60 2.28 2.07 -0.80 -2.57 116.25 117.40 3ju5 h VAL 75 Ca -0.53 -0.36 -0.36 0.00 0.82 0.00 0.00 66.70 66.27 3ju5 h VAL 75 Cb 1.81 -0.09 -0.21 0.00 -1.52 0.00 0.00 31.29 31.28 3ju5 h VAL 75 CO -0.12 0.19 0.04 0.49 0.02 0.00 0.00 177.57 178.19 3ju5 n PHE 76 N -4.50 1.94 0.01 1.57 3.72 -0.53 -4.74 117.46 114.93 3ju5 n PHE 76 Ca 0.15 -1.96 0.07 0.00 -0.05 0.00 0.00 57.45 55.66 3ju5 n PHE 76 Cb 0.22 -0.68 0.48 0.00 -0.94 0.00 0.00 39.48 38.56 3ju5 n PHE 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ju5 h ALA 77 N 1.33 1.85 -1.09 4.37 0.00 -1.39 -0.80 119.26 123.53 3ju5 h ALA 77 Ca 0.36 -0.02 0.30 0.00 0.00 0.00 0.00 54.91 55.55 3ju5 h ALA 77 Cb 1.69 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 19.26 3ju5 h ALA 77 CO 0.73 0.10 0.70 -0.44 0.00 0.00 0.00 179.25 180.34 3ju5 h ASP 78 N 0.43 0.40 0.01 0.00 5.19 -1.85 0.69 116.42 121.30 3ju5 h ASP 78 Ca 0.17 0.09 -0.36 0.00 -0.62 0.00 0.00 57.03 56.31 3ju5 h ASP 78 Cb 0.13 0.03 -0.05 0.00 0.18 0.00 0.00 39.33 39.63 3ju5 h ASP 78 CO -0.04 0.03 -2.01 -0.11 -3.12 0.00 0.00 179.24 173.99 3ju5 n LEU 79 N -4.64 2.10 -0.17 1.55 7.94 -0.55 -4.43 117.00 118.80 3ju5 n LEU 79 Ca 0.27 0.31 -0.10 0.00 -1.11 0.00 0.00 56.01 55.38 3ju5 n LEU 79 Cb 0.98 -0.92 0.00 0.00 0.53 0.00 0.00 43.42 44.02 3ju5 n LEU 79 CO 0.25 0.53 0.77 -0.26 -1.11 0.00 0.00 177.39 177.57 3ju5 h PHE 80 N -0.78 0.98 -0.17 1.96 0.04 -0.96 -3.07 116.94 114.94 3ju5 h PHE 80 Ca -0.53 -0.19 0.04 0.00 2.80 0.00 0.00 57.97 60.09 3ju5 h PHE 80 Cb 1.58 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 39.43 3ju5 h PHE 80 CO 0.01 0.94 -0.11 -0.44 -0.60 0.00 0.00 178.31 178.11 3ju5 h ASP 81 N 0.74 -0.36 0.85 2.17 3.32 -1.10 0.40 116.42 122.45 3ju5 h ASP 81 Ca 0.13 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 3ju5 h ASP 81 Cb 0.58 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3ju5 h ASP 81 CO 0.03 -0.15 -0.36 1.55 -1.72 0.00 0.00 179.24 178.60 3ju5 h PRO 82 N -0.11 0.00 -0.24 3.56 0.13 -1.77 -0.26 132.00 133.30 3ju5 h PRO 82 Ca 0.10 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.04 3ju5 h PRO 82 Cb 0.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.39 3ju5 h PRO 82 CO -0.24 0.36 -0.61 0.28 -0.23 0.00 0.00 178.00 177.56 3ju5 h VAL 83 N 0.00 1.28 -0.51 1.56 2.07 -1.31 -1.41 116.25 117.94 3ju5 h VAL 83 Ca -0.00 -1.81 -0.08 0.00 0.82 0.00 0.00 66.70 65.63 3ju5 h VAL 83 Cb 0.88 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 3ju5 h VAL 83 CO 0.05 0.58 0.02 0.40 0.02 0.00 0.00 177.57 178.64 3ju5 h ILE 84 N 0.61 1.26 -0.44 4.57 2.04 -0.72 -0.68 117.51 124.15 3ju5 h ILE 84 Ca -0.00 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 64.84 3ju5 h ILE 84 Cb 1.22 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 3ju5 h ILE 84 CO 0.13 0.37 0.23 -0.08 0.00 0.00 0.00 178.15 178.80 3ju5 h GLU 85 N 0.75 0.45 -0.08 2.37 4.81 -0.77 -0.83 114.58 121.29 3ju5 h GLU 85 Ca 0.15 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 3ju5 h GLU 85 Cb 0.49 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3ju5 h GLU 85 CO 0.02 0.30 -0.27 1.49 -0.73 0.00 0.00 179.01 179.82 3ju5 h GLU 86 N 0.46 0.32 -0.99 1.92 4.81 -1.14 0.28 114.58 120.24 3ju5 h GLU 86 Ca 0.18 -0.24 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3ju5 h GLU 86 Cb 0.07 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 3ju5 h GLU 86 CO -0.12 0.87 0.65 -0.92 -0.73 0.00 0.00 179.01 178.76 3ju5 h TYR 87 N -0.17 1.20 -0.91 0.92 3.20 -1.08 -2.75 116.97 117.38 3ju5 h TYR 87 Ca -0.01 0.03 -0.50 0.00 3.14 0.00 0.00 58.73 61.39 3ju5 h TYR 87 Cb 0.90 -0.40 -0.28 0.00 1.54 0.00 0.00 36.73 38.49 3ju5 h TYR 87 CO 0.12 0.67 0.57 0.72 -1.64 0.00 0.00 178.16 178.60 3ju5 n HIS 88 N -4.46 2.84 -3.52 -3.82 8.25 -0.32 -4.94 115.22 109.25 3ju5 n HIS 88 Ca 0.14 -2.00 -0.19 0.00 -0.26 0.00 0.00 57.72 55.41 3ju5 n HIS 88 Cb 0.13 -0.96 0.07 0.00 1.12 0.00 0.00 29.99 30.36 3ju5 n HIS 88 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3ju5 n ASN 89 N -1.11 -2.36 0.00 0.41 4.13 -1.04 -3.14 115.26 112.16 3ju5 n ASN 89 Ca 0.57 -0.66 0.00 0.00 1.68 0.00 0.00 54.58 56.17 3ju5 n ASN 89 Cb 1.44 -4.84 0.00 0.00 -1.54 0.00 0.00 39.78 34.83 3ju5 n ASN 89 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ju5 n GLY 90 N -1.33 0.83 3.53 7.41 0.00 0.97 -5.02 105.19 111.58 3ju5 n GLY 90 Ca -0.25 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3ju5 n GLY 90 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ju5 s PHE 91 N -2.00 2.52 0.77 1.61 5.36 -1.19 -4.99 117.98 120.07 3ju5 s PHE 91 Ca 0.00 -0.05 -0.12 0.00 -0.96 0.00 0.00 56.93 55.80 3ju5 s PHE 91 Cb 0.00 -4.44 0.06 0.00 -0.34 0.00 0.00 43.02 38.30 3ju5 s PHE 91 CO 0.00 -1.76 1.13 0.15 -1.46 0.00 0.00 175.22 173.27 3ju5 s LYS 92 N 4.92 2.28 0.55 10.12 1.02 -1.26 -3.41 119.74 133.95 3ju5 s LYS 92 Ca 0.33 0.37 0.26 0.00 0.02 0.00 0.00 55.97 56.95 3ju5 s LYS 92 Cb -0.11 -1.96 1.57 0.00 -0.52 0.00 0.00 37.83 36.81 3ju5 s LYS 92 CO 0.17 -1.43 2.16 1.57 -0.92 0.00 0.00 175.35 176.90 3ju5 h LYS 93 N -0.94 0.00 0.00 1.68 2.10 -1.94 -1.23 116.57 116.24 3ju5 h LYS 93 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 3ju5 h LYS 93 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3ju5 h LYS 93 CO 0.63 0.06 -0.61 0.25 -2.00 0.00 0.00 179.45 177.79 3ju5 n THR 94 N -3.90 0.20 -2.32 0.07 -2.24 -1.26 -4.89 114.28 99.95 3ju5 n THR 94 Ca -0.03 -0.17 -0.32 0.00 -2.27 0.00 0.00 64.05 61.26 3ju5 n THR 94 Cb 0.15 0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 3ju5 n THR 94 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3ju5 s ASP 95 N -3.74 6.45 0.13 3.42 1.01 -0.47 -5.07 116.67 118.40 3ju5 s ASP 95 Ca 0.08 1.62 0.07 0.00 0.71 0.00 0.00 52.55 55.02 3ju5 s ASP 95 Cb 0.15 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 3ju5 s ASP 95 CO 0.72 -0.71 -0.16 0.20 0.21 0.00 0.00 175.17 175.43 3ju5 s ASN 96 N -3.03 2.20 -0.13 0.27 0.01 -1.26 -4.82 114.94 108.19 3ju5 s ASN 96 Ca 0.60 -0.79 -0.03 0.00 -0.71 0.00 0.00 52.86 51.92 3ju5 s ASN 96 Cb -0.11 -0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.42 3ju5 s ASN 96 CO 0.33 -0.09 -0.00 -2.28 -1.51 0.00 0.00 177.10 173.55 3ju5 s HIS 97 N -1.94 3.13 -0.13 2.20 5.65 -0.85 -4.79 115.29 118.55 3ju5 s HIS 97 Ca 0.09 0.01 -0.02 0.00 0.25 0.00 0.00 55.06 55.40 3ju5 s HIS 97 Cb -0.06 -1.90 -0.02 0.00 -1.18 0.00 0.00 32.58 29.42 3ju5 s HIS 97 CO 0.04 0.25 -0.09 0.21 -0.65 0.00 0.00 174.74 174.50 3ju5 s LYS 98 N -0.25 3.45 0.23 2.88 2.20 -1.26 -4.57 119.74 122.42 3ju5 s LYS 98 Ca 0.06 -0.61 -0.15 0.00 -0.36 0.00 0.00 55.97 54.91 3ju5 s LYS 98 Cb -0.12 -2.74 -0.08 0.00 -1.51 0.00 0.00 37.83 33.37 3ju5 s LYS 98 CO 0.02 0.26 0.64 0.99 -0.36 0.00 0.00 175.35 176.90 3ju5 s THR 99 N 0.26 4.75 -0.32 3.43 2.01 -1.26 -4.06 115.64 120.45 3ju5 s THR 99 Ca -0.06 0.90 0.02 0.00 0.31 0.00 0.00 61.69 62.85 3ju5 s THR 99 Cb -0.15 -3.71 0.15 0.00 0.01 0.00 0.00 72.50 68.80 3ju5 s THR 99 CO 0.04 0.06 0.36 -0.62 -0.69 0.00 0.00 174.62 173.77 3ju5 s ASP 100 N -1.97 1.09 -0.30 3.53 -1.08 -1.26 -4.96 116.67 111.73 3ju5 s ASP 100 Ca 0.45 -0.94 0.07 0.00 -0.52 0.00 0.00 52.55 51.61 3ju5 s ASP 100 Cb -0.13 0.72 0.61 0.00 -1.46 0.00 0.00 42.92 42.65 3ju5 s ASP 100 CO 0.20 -0.33 1.66 0.18 0.52 0.00 0.00 175.17 177.40 3ju5 n LEU 101 N 4.95 5.60 -4.53 -1.34 4.77 -1.26 -2.69 117.00 122.50 3ju5 n LEU 101 Ca 0.03 -2.93 -0.41 0.00 -0.03 0.00 0.00 56.01 52.67 3ju5 n LEU 101 Cb 0.47 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 3ju5 n LEU 101 CO 0.02 0.79 1.08 -0.62 -1.33 0.00 0.00 177.39 177.33 3ju5 s ASP 102 N -0.79 6.18 0.57 -1.43 -1.08 -1.26 -4.88 116.67 113.99 3ju5 s ASP 102 Ca 0.46 -0.51 0.31 0.00 -0.52 0.00 0.00 52.55 52.29 3ju5 s ASP 102 Cb 0.37 -2.53 1.71 0.00 -1.46 0.00 0.00 42.92 41.01 3ju5 s ASP 102 CO 0.11 -1.73 2.17 0.00 0.52 0.00 0.00 175.17 176.24 3ju5 h ALA 103 N 9.90 1.30 0.00 3.66 0.00 -1.92 -2.06 119.26 130.14 3ju5 h ALA 103 Ca -0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ju5 h ALA 103 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3ju5 h ALA 103 CO 1.25 0.07 0.00 0.66 0.00 0.00 0.00 179.25 181.23 3ju5 h SER 104 N 0.00 0.00 0.10 0.00 4.64 -1.98 -2.96 113.55 113.34 3ju5 h SER 104 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ju5 h SER 104 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3ju5 h SER 104 CO 0.01 0.00 -0.24 0.29 -0.87 0.00 0.00 176.83 176.02 3ju5 n LYS 105 N -2.71 1.23 -2.49 4.77 5.02 -0.77 -4.91 118.16 118.29 3ju5 n LYS 105 Ca -0.02 -0.85 -0.41 0.00 -2.02 0.00 0.00 58.31 55.01 3ju5 n LYS 105 Cb 0.07 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.56 3ju5 n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ju5 s ILE 106 N -2.35 3.94 0.13 -0.18 -1.09 -1.12 -4.99 121.20 115.53 3ju5 s ILE 106 Ca 0.26 1.58 -0.35 0.00 -2.23 0.00 0.00 60.65 59.91 3ju5 s ILE 106 Cb 0.19 -4.01 -0.16 0.00 -1.58 0.00 0.00 42.46 36.90 3ju5 s ILE 106 CO 0.48 0.23 1.21 0.18 -1.23 0.00 0.00 174.94 175.81 3ju5 n LEU 107 N 2.82 1.41 -0.96 2.97 4.77 -1.26 -4.90 117.00 121.84 3ju5 n LEU 107 Ca 0.04 1.13 0.08 0.00 -0.03 0.00 0.00 56.01 57.24 3ju5 n LEU 107 Cb 0.46 -1.18 0.22 0.00 -2.33 0.00 0.00 43.42 40.60 3ju5 n LEU 107 CO 0.54 -1.28 0.69 -0.90 -1.33 0.00 0.00 177.39 175.11 3ju5 n ASP 108 N 2.18 2.78 -4.76 -1.43 5.68 -1.26 -4.38 116.55 115.36 3ju5 n ASP 108 Ca 0.17 -2.04 -0.39 0.00 -0.50 0.00 0.00 54.79 52.03 3ju5 n ASP 108 Cb 0.21 -0.35 0.01 0.00 -1.14 0.00 0.00 41.12 39.85 3ju5 n ASP 108 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 3ju5 s ASP 109 N -0.97 6.00 -0.31 -1.12 1.11 -1.26 -4.92 116.67 115.20 3ju5 s ASP 109 Ca 0.34 2.70 -0.10 0.00 0.18 0.00 0.00 52.55 55.67 3ju5 s ASP 109 Cb 0.18 -2.64 -0.01 0.00 1.07 0.00 0.00 42.92 41.53 3ju5 s ASP 109 CO 0.22 -1.07 0.16 -0.69 1.18 0.00 0.00 175.17 174.97 3ju5 s VAL 110 N -1.29 4.61 0.34 -1.27 1.01 -1.26 -4.72 120.40 117.83 3ju5 s VAL 110 Ca 0.61 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 3ju5 s VAL 110 Cb -0.39 -3.37 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 3ju5 s VAL 110 CO 0.49 0.05 1.40 -0.76 0.00 0.00 0.00 175.10 176.28 3ju5 s LEU 111 N 1.61 4.38 -0.09 3.92 1.43 -0.46 -4.83 118.68 124.65 3ju5 s LEU 111 Ca 0.04 2.84 -0.29 0.00 -1.03 0.00 0.00 54.13 55.69 3ju5 s LEU 111 Cb -0.17 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 42.33 3ju5 s LEU 111 CO 0.06 -0.70 2.05 -0.62 0.23 0.00 0.00 176.35 177.38 3ju5 s ASP 112 N -0.25 6.03 0.00 2.29 -1.08 -1.26 -3.80 116.67 118.61 3ju5 s ASP 112 Ca 0.52 2.28 0.16 0.00 -0.52 0.00 0.00 52.55 54.99 3ju5 s ASP 112 Cb -0.43 -2.52 0.81 0.00 -1.46 0.00 0.00 42.92 39.32 3ju5 s ASP 112 CO 0.56 -1.44 1.45 -0.81 0.52 0.00 0.00 175.17 175.45 3ju5 n PRO 113 N 8.06 0.24 0.23 4.34 -0.04 -1.26 -1.38 135.00 145.18 3ju5 n PRO 113 Ca 0.24 0.13 0.16 0.00 -0.04 0.00 0.00 63.50 63.98 3ju5 n PRO 113 Cb 0.43 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.00 3ju5 n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ju5 h ALA 114 N 2.77 1.00 0.00 0.55 0.00 -2.01 -3.35 119.26 118.21 3ju5 h ALA 114 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3ju5 h ALA 114 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ju5 h ALA 114 CO 0.00 0.00 -1.27 0.66 0.00 0.00 0.00 179.25 178.64 3ju5 n TYR 115 N -2.84 0.00 -3.35 0.00 4.01 -0.60 -4.89 117.16 109.49 3ju5 n TYR 115 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.33 3ju5 n TYR 115 Cb 0.30 -0.19 -0.09 0.00 -0.31 0.00 0.00 39.34 39.05 3ju5 n TYR 115 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3ju5 s VAL 116 N -2.10 5.13 0.04 -0.72 1.01 -0.48 -0.31 120.40 122.97 3ju5 s VAL 116 Ca -0.05 -0.35 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 3ju5 s VAL 116 Cb 0.02 -3.99 -0.15 0.00 0.00 0.00 0.00 36.38 32.25 3ju5 s VAL 116 CO 0.12 -0.36 1.31 0.40 0.00 0.00 0.00 175.10 176.57 3ju5 h ILE 117 N 5.69 1.36 -2.46 2.22 2.04 -0.81 -3.35 117.51 122.20 3ju5 h ILE 117 Ca -0.27 -1.41 -0.06 0.00 1.00 0.00 0.00 64.86 64.12 3ju5 h ILE 117 Cb 1.12 1.96 -0.17 0.00 -0.74 0.00 0.00 36.82 38.98 3ju5 h ILE 117 CO 0.77 0.41 0.10 -0.94 0.00 0.00 0.00 178.15 178.50 3ju5 s SER 118 N -6.21 -0.54 0.01 1.72 1.04 -1.23 -1.33 113.70 107.17 3ju5 s SER 118 Ca -0.14 0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.75 3ju5 s SER 118 Cb 0.05 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 3ju5 s SER 118 CO 0.76 -0.67 -0.19 -0.44 0.98 0.00 0.00 173.24 173.68 3ju5 s SER 119 N -1.64 2.27 -0.03 7.02 0.01 -0.28 -2.32 113.70 118.73 3ju5 s SER 119 Ca -0.08 -0.42 -0.08 0.00 1.31 0.00 0.00 55.95 56.68 3ju5 s SER 119 Cb -0.01 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 66.01 3ju5 s SER 119 CO 0.03 0.19 0.18 -0.60 0.41 0.00 0.00 173.24 173.45 3ju5 s ARG 120 N -0.78 0.39 -0.07 12.44 3.52 -0.50 -1.61 118.95 132.34 3ju5 s ARG 120 Ca 0.07 -0.09 -0.01 0.00 -0.13 0.00 0.00 55.73 55.57 3ju5 s ARG 120 Cb -0.08 0.17 0.03 0.00 -1.56 0.00 0.00 34.95 33.51 3ju5 s ARG 120 CO 0.00 -0.08 -0.02 0.08 -0.81 0.00 0.00 175.30 174.48 3ju5 s VAL 121 N -0.72 0.49 0.04 7.11 1.01 0.39 -1.08 120.40 127.63 3ju5 s VAL 121 Ca -0.08 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.01 3ju5 s VAL 121 Cb -0.05 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 3ju5 s VAL 121 CO 0.01 0.27 -0.23 -0.60 0.00 0.00 0.00 175.10 174.56 3ju5 s ARG 122 N 1.76 1.95 0.29 2.72 3.00 -0.18 -1.05 118.95 127.43 3ju5 s ARG 122 Ca 0.02 -1.04 -0.00 0.00 -1.00 0.00 0.00 55.73 53.71 3ju5 s ARG 122 Cb -0.13 -2.08 -0.02 0.00 0.00 0.00 0.00 34.95 32.72 3ju5 s ARG 122 CO -0.05 0.53 0.31 -0.08 0.00 0.00 0.00 175.30 176.02 3ju5 s THR 123 N -0.84 0.00 0.20 4.11 -1.32 0.35 -1.39 115.64 116.75 3ju5 s THR 123 Ca 0.13 -1.82 0.11 0.00 -1.21 0.00 0.00 61.69 58.90 3ju5 s THR 123 Cb -0.10 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 3ju5 s THR 123 CO 0.03 0.00 -0.23 -0.83 -2.21 0.00 0.00 174.62 171.38 3ju5 s GLY 124 N -3.23 1.73 -0.06 6.08 0.00 -1.25 -0.23 107.32 110.36 3ju5 s GLY 124 Ca 0.35 -1.66 -0.06 0.00 0.00 0.00 0.00 44.72 43.35 3ju5 s GLY 124 CO 0.19 -1.70 0.17 0.50 0.00 0.00 0.00 173.10 172.27 3ju5 s ARG 125 N -2.78 0.24 0.16 2.90 1.81 -0.70 -4.88 118.95 115.71 3ju5 s ARG 125 Ca 0.22 0.15 0.09 0.00 -1.72 0.00 0.00 55.73 54.48 3ju5 s ARG 125 Cb -0.08 0.11 -0.04 0.00 -0.45 0.00 0.00 34.95 34.50 3ju5 s ARG 125 CO 0.11 -0.04 -0.15 -0.80 -0.68 0.00 0.00 175.30 173.74 3ju5 s ASN 126 N -0.11 4.00 -0.20 0.23 0.01 -1.26 -1.20 114.94 116.40 3ju5 s ASN 126 Ca -0.02 -0.62 -0.17 0.00 -0.71 0.00 0.00 52.86 51.35 3ju5 s ASN 126 Cb -0.02 -0.59 -0.04 0.00 0.41 0.00 0.00 41.25 41.01 3ju5 s ASN 126 CO 0.00 0.13 0.43 -0.63 -1.51 0.00 0.00 177.10 175.53 3ju5 s ILE 127 N -1.51 5.17 0.29 0.60 -1.09 -1.26 -4.38 121.20 119.02 3ju5 s ILE 127 Ca 0.22 0.78 -0.30 0.00 -2.23 0.00 0.00 60.65 59.12 3ju5 s ILE 127 Cb -0.09 -3.76 -0.11 0.00 -1.58 0.00 0.00 42.46 36.92 3ju5 s ILE 127 CO 0.13 0.22 1.53 -0.60 -1.23 0.00 0.00 174.94 174.99 3ju5 s ARG 128 N 1.44 4.17 0.00 2.79 3.52 -0.11 -4.83 118.95 125.92 3ju5 s ARG 128 Ca 0.20 2.49 0.00 0.00 -0.13 0.00 0.00 55.73 58.30 3ju5 s ARG 128 Cb -0.15 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 3ju5 s ARG 128 CO 0.09 -0.55 0.00 0.41 -0.81 0.00 0.00 175.30 174.43 3ju5 n GLY 129 N 1.94 1.31 3.93 8.12 0.00 -1.26 -4.64 105.19 114.58 3ju5 n GLY 129 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 3ju5 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ju5 s ALA 131 N -2.00 3.91 0.64 4.61 0.00 -1.26 -5.17 121.76 122.48 3ju5 s ALA 131 Ca 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 51.96 50.56 3ju5 s ALA 131 Cb 0.00 -1.57 0.05 0.00 0.00 0.00 0.00 23.12 21.60 3ju5 s ALA 131 CO 0.00 0.16 0.91 -0.51 0.00 0.00 0.00 175.76 176.33 3ju5 s LEU 132 N -3.99 3.03 0.49 0.00 1.43 0.18 -4.50 118.68 115.32 3ju5 s LEU 132 Ca 0.37 0.29 0.23 0.00 -1.03 0.00 0.00 54.13 53.98 3ju5 s LEU 132 Cb -0.09 -3.04 1.28 0.00 0.03 0.00 0.00 46.19 44.38 3ju5 s LEU 132 CO 0.28 -1.38 1.96 0.77 0.23 0.00 0.00 176.35 178.21 3ju5 h SER 133 N -0.30 0.14 0.50 2.29 4.64 -1.84 0.12 113.55 119.09 3ju5 h SER 133 Ca -0.44 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3ju5 h SER 133 Cb 1.30 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3ju5 h SER 133 CO 0.57 0.07 0.00 -2.65 -0.87 0.00 0.00 176.83 173.95 3ju5 n PRO 134 N -4.40 0.15 0.00 4.77 -0.02 -1.26 -3.94 135.00 130.30 3ju5 n PRO 134 Ca 0.13 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3ju5 n PRO 134 Cb 0.62 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3ju5 n PRO 134 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3ju5 n HIS 135 N -2.14 0.00 -1.70 6.00 -0.00 -0.18 -4.60 115.22 112.60 3ju5 n HIS 135 Ca 0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.32 3ju5 n HIS 135 Cb 0.17 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.17 3ju5 n HIS 135 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 3ju5 n VAL 136 N -0.75 2.56 -2.97 3.57 3.14 0.23 -4.94 118.33 119.17 3ju5 n VAL 136 Ca 0.00 -0.50 -0.18 0.00 -2.96 0.00 0.00 64.34 60.70 3ju5 n VAL 136 Cb 0.07 -1.56 0.02 0.00 -1.06 0.00 0.00 33.84 31.31 3ju5 n VAL 136 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ju5 h ARG 138 N 0.48 1.09 -0.37 0.00 3.08 -1.98 -0.98 114.38 115.70 3ju5 h ARG 138 Ca -0.38 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.44 3ju5 h ARG 138 Cb 1.28 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 3ju5 h ARG 138 CO 0.45 0.84 -0.06 0.66 -1.07 0.00 0.00 179.97 180.79 3ju5 h SER 139 N 1.09 0.69 -0.25 7.04 4.64 -1.99 0.58 113.55 125.34 3ju5 h SER 139 Ca 0.27 -0.34 0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3ju5 h SER 139 Cb 0.10 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 3ju5 h SER 139 CO -0.03 0.87 0.09 -0.33 -0.87 0.00 0.00 176.83 176.55 3ju5 h GLU 140 N 0.49 0.20 -0.71 4.77 5.08 -1.92 -1.56 114.58 120.93 3ju5 h GLU 140 Ca 0.10 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3ju5 h GLU 140 Cb 0.55 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3ju5 h GLU 140 CO 0.03 0.13 0.20 -0.09 -1.00 0.00 0.00 179.01 178.29 3ju5 h ARG 141 N 0.21 1.11 -0.22 2.33 2.43 -1.01 -0.87 114.38 118.37 3ju5 h ARG 141 Ca 0.11 -0.25 -0.10 0.00 -0.81 0.00 0.00 59.98 58.93 3ju5 h ARG 141 Cb 0.08 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3ju5 h ARG 141 CO -0.11 0.97 -0.31 0.00 -1.51 0.00 0.00 179.97 179.00 3ju5 h ARG 142 N 1.06 0.44 -0.66 0.20 3.08 -0.72 -1.05 114.38 116.73 3ju5 h ARG 142 Ca 0.23 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 3ju5 h ARG 142 Cb 0.33 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3ju5 h ARG 142 CO -0.00 0.70 0.19 0.00 -1.07 0.00 0.00 179.97 179.79 3ju5 h ALA 143 N 1.29 0.86 -0.39 0.04 0.00 -0.80 -0.15 119.26 120.12 3ju5 h ALA 143 Ca 0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3ju5 h ALA 143 Cb 0.73 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3ju5 h ALA 143 CO 0.06 0.55 0.09 0.82 0.00 0.00 0.00 179.25 180.77 3ju5 h ILE 144 N 0.96 1.23 -0.41 0.00 2.04 -0.94 -2.83 117.51 117.55 3ju5 h ILE 144 Ca 0.21 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.34 3ju5 h ILE 144 Cb 0.32 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3ju5 h ILE 144 CO -0.00 0.27 0.17 -0.08 0.00 0.00 0.00 178.15 178.51 3ju5 h GLU 145 N 0.48 0.35 -0.04 2.37 4.81 -0.89 -1.17 114.58 120.48 3ju5 h GLU 145 Ca 0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3ju5 h GLU 145 Cb 0.31 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3ju5 h GLU 145 CO 0.00 0.23 0.00 1.17 -0.73 0.00 0.00 179.01 179.68 3ju5 n LYS 146 N -4.97 0.05 0.00 1.92 4.81 -0.09 -0.98 118.16 118.90 3ju5 n LYS 146 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3ju5 n LYS 146 Cb 0.13 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.16 3ju5 n LYS 146 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3ju5 n VAL 148 N 0.38 0.00 -0.22 3.15 0.31 -0.44 -1.24 118.33 120.27 3ju5 n VAL 148 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3ju5 n VAL 148 Cb 0.01 0.00 0.21 0.00 -0.91 0.00 0.00 33.84 33.15 3ju5 n VAL 148 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3ju5 h SER 149 N 0.00 0.90 -0.75 4.52 4.64 -1.27 -0.49 113.55 121.09 3ju5 h SER 149 Ca 0.00 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 3ju5 h SER 149 Cb 0.00 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 3ju5 h SER 149 CO 0.00 0.70 0.30 -0.33 -0.87 0.00 0.00 176.83 176.62 3ju5 h GLU 150 N 1.03 1.13 -0.54 4.77 5.08 -1.39 0.43 114.58 125.08 3ju5 h GLU 150 Ca 0.27 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3ju5 h GLU 150 Cb -0.03 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 3ju5 h GLU 150 CO -0.05 0.92 0.10 0.00 -1.00 0.00 0.00 179.01 178.98 3ju5 h ALA 151 N 1.15 0.72 -0.50 3.43 0.00 -1.69 -2.44 119.26 119.93 3ju5 h ALA 151 Ca 0.25 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3ju5 h ALA 151 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3ju5 h ALA 151 CO -0.02 0.45 -0.02 -0.07 0.00 0.00 0.00 179.25 179.59 3ju5 h LEU 152 N 0.78 0.83 -0.83 0.00 3.38 -0.77 -2.45 115.31 116.25 3ju5 h LEU 152 Ca 0.17 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ju5 h LEU 152 Cb 0.39 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ju5 h LEU 152 CO 0.01 0.91 0.00 0.78 0.09 0.00 0.00 178.44 180.23 3ju5 h ASN 153 N 0.79 0.00 1.22 -0.43 2.35 -0.75 -1.65 115.58 117.11 3ju5 h ASN 153 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3ju5 h ASN 153 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3ju5 h ASN 153 CO 0.03 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.27 3ju5 n SER 154 N -2.47 0.40 -4.78 5.81 3.41 -0.92 -4.87 113.62 110.20 3ju5 n SER 154 Ca 0.02 0.54 -0.37 0.00 -0.26 0.00 0.00 58.87 58.80 3ju5 n SER 154 Cb 0.27 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 3ju5 n SER 154 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ju5 s LEU 155 N -3.75 4.03 0.00 1.04 1.43 -0.62 -5.03 118.68 115.78 3ju5 s LEU 155 Ca 0.12 2.20 0.02 0.00 -1.03 0.00 0.00 54.13 55.44 3ju5 s LEU 155 Cb 0.16 -4.25 -0.01 0.00 0.03 0.00 0.00 46.19 42.12 3ju5 s LEU 155 CO 0.56 -0.79 0.06 0.00 0.23 0.00 0.00 176.35 176.41 3ju5 n ALA 156 N -0.41 0.20 -0.51 4.21 0.00 -1.26 -3.88 120.51 118.86 3ju5 n ALA 156 Ca 0.07 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3ju5 n ALA 156 Cb 0.49 0.47 0.00 0.00 0.00 0.00 0.00 19.45 20.41 3ju5 n ALA 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ju5 n ALA 157 N -2.34 0.00 0.58 0.00 0.00 -1.26 -1.60 120.51 115.88 3ju5 n ALA 157 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.49 3ju5 n ALA 157 Cb 0.19 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.07 3ju5 n ALA 157 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ju5 n ASP 158 N 1.98 0.25 -0.48 0.00 10.43 -1.26 -1.81 116.55 125.65 3ju5 n ASP 158 Ca 0.00 0.55 0.12 0.00 2.57 0.00 0.00 54.79 58.03 3ju5 n ASP 158 Cb 0.00 -0.61 0.47 0.00 1.84 0.00 0.00 41.12 42.83 3ju5 n ASP 158 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3ju5 n LEU 159 N -1.76 1.48 -4.71 0.64 4.77 -0.63 -4.62 117.00 112.18 3ju5 n LEU 159 Ca 0.04 -0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 55.03 3ju5 n LEU 159 Cb 0.24 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3ju5 n LEU 159 CO 0.19 0.28 1.32 1.17 -1.33 0.00 0.00 177.39 179.02 3ju5 n LYS 160 N 0.17 2.64 0.00 3.23 3.00 -0.75 -4.39 118.16 122.06 3ju5 n LYS 160 Ca 0.18 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.44 3ju5 n LYS 160 Cb 0.33 -2.78 0.00 0.00 0.00 0.00 0.00 35.03 32.58 3ju5 n LYS 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ju5 n GLY 161 N 3.73 4.43 3.12 3.14 0.00 -1.26 -1.13 105.19 117.22 3ju5 n GLY 161 Ca 0.16 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 3ju5 n GLY 161 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ju5 s LYS 162 N 1.94 0.40 -0.11 1.61 2.47 -0.79 -4.89 119.74 120.38 3ju5 s LYS 162 Ca 0.00 -0.04 -0.09 0.00 -1.56 0.00 0.00 55.97 54.29 3ju5 s LYS 162 Cb 0.00 0.18 -0.04 0.00 -1.46 0.00 0.00 37.83 36.51 3ju5 s LYS 162 CO 0.00 -0.09 0.18 -0.47 0.16 0.00 0.00 175.35 175.14 3ju5 s TYR 163 N -0.67 3.60 -0.31 4.03 5.04 -1.26 -2.43 117.35 125.36 3ju5 s TYR 163 Ca -0.08 0.59 0.03 0.00 -2.44 0.00 0.00 57.07 55.17 3ju5 s TYR 163 Cb -0.04 -2.02 0.09 0.00 0.35 0.00 0.00 41.96 40.33 3ju5 s TYR 163 CO 0.01 0.68 0.01 0.71 -1.34 0.00 0.00 175.55 175.62 3ju5 s TYR 164 N -0.91 3.25 0.42 4.97 2.02 0.52 -5.00 117.35 122.62 3ju5 s TYR 164 Ca 0.16 -2.56 -0.25 0.00 -0.37 0.00 0.00 57.07 54.05 3ju5 s TYR 164 Cb -0.13 -2.40 -0.08 0.00 -0.40 0.00 0.00 41.96 38.95 3ju5 s TYR 164 CO 0.05 -0.90 1.26 0.45 -1.57 0.00 0.00 175.55 174.84 3ju5 s SER 165 N 1.09 6.27 -0.06 2.29 0.15 -1.26 -0.54 113.70 121.64 3ju5 s SER 165 Ca 0.04 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.25 3ju5 s SER 165 Cb -0.19 -2.63 0.05 0.00 -1.71 0.00 0.00 66.02 61.54 3ju5 s SER 165 CO -0.09 -0.87 1.63 0.18 1.20 0.00 0.00 173.24 175.29 3ju5 n LEU 166 N -0.03 4.68 0.00 3.45 4.77 -0.33 -4.91 117.00 124.63 3ju5 n LEU 166 Ca 0.05 -2.23 0.00 0.00 -0.03 0.00 0.00 56.01 53.80 3ju5 n LEU 166 Cb 0.45 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 3ju5 n LEU 166 CO 0.53 0.85 0.00 0.29 -1.33 0.00 0.00 177.39 177.74 3ju5 n LYS 168 N 0.89 0.00 -4.34 3.23 4.01 -1.26 -4.90 118.16 115.80 3ju5 n LYS 168 Ca 0.06 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.69 3ju5 n LYS 168 Cb 0.55 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.97 3ju5 n LYS 168 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3ju5 s ASP 170 N 0.00 1.73 0.15 4.39 2.15 -1.26 -5.00 116.67 118.83 3ju5 s ASP 170 Ca 0.00 -1.27 0.08 0.00 0.43 0.00 0.00 52.55 51.79 3ju5 s ASP 170 Cb 0.00 0.04 -0.13 0.00 -0.30 0.00 0.00 42.92 42.52 3ju5 s ASP 170 CO 0.00 -0.58 1.33 -0.33 -0.17 0.00 0.00 175.17 175.42 3ju5 h GLU 171 N 2.42 0.00 -0.01 4.34 4.39 -2.06 -2.23 114.58 121.43 3ju5 h GLU 171 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 3ju5 h GLU 171 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3ju5 h GLU 171 CO 0.64 0.91 0.00 1.63 -1.16 0.00 0.00 179.01 181.04 3ju5 n LYS 172 N -3.37 1.04 -0.09 2.33 4.76 -1.26 -3.48 118.16 118.10 3ju5 n LYS 172 Ca 0.00 -0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.24 3ju5 n LYS 172 Cb 0.89 -1.27 -0.05 0.00 -1.84 0.00 0.00 35.03 32.77 3ju5 n LYS 172 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3ju5 n THR 173 N -0.70 1.39 -0.28 -0.18 -1.04 -0.93 -4.04 114.28 108.51 3ju5 n THR 173 Ca 0.13 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.10 3ju5 n THR 173 Cb 0.07 -2.08 0.07 0.00 -1.82 0.00 0.00 70.33 66.58 3ju5 n THR 173 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3ju5 h GLN 174 N -0.84 0.98 0.06 -2.82 4.15 -1.54 -2.27 115.11 112.83 3ju5 h GLN 174 Ca -0.21 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.16 3ju5 h GLN 174 Cb 1.08 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.53 3ju5 h GLN 174 CO -0.13 0.65 -0.11 0.37 -1.93 0.00 0.00 178.83 177.68 3ju5 h GLN 175 N 1.01 -0.21 -0.98 1.69 5.75 -1.81 -2.45 115.11 118.10 3ju5 h GLN 175 Ca 0.29 0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.93 3ju5 h GLN 175 Cb -0.08 0.05 -0.09 0.00 1.07 0.00 0.00 27.48 28.43 3ju5 h GLN 175 CO -0.08 -0.14 0.61 0.37 -2.65 0.00 0.00 178.83 176.94 3ju5 h GLN 176 N -0.22 0.89 0.02 1.69 4.15 -1.57 0.10 115.11 120.18 3ju5 h GLN 176 Ca 0.02 -0.05 -0.23 0.00 0.77 0.00 0.00 58.65 59.16 3ju5 h GLN 176 Cb 0.24 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3ju5 h GLN 176 CO -0.07 0.59 -0.97 -0.07 -1.93 0.00 0.00 178.83 176.38 3ju5 h LEU 177 N 0.92 0.49 -0.61 -2.39 3.38 -1.25 -1.51 115.31 114.35 3ju5 h LEU 177 Ca 0.50 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3ju5 h LEU 177 Cb 0.57 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3ju5 h LEU 177 CO -0.29 1.22 -0.00 0.40 0.09 0.00 0.00 178.44 179.85 3ju5 h ILE 178 N 0.20 1.27 -0.62 1.22 2.04 -1.18 1.91 117.51 122.35 3ju5 h ILE 178 Ca -0.08 -1.16 0.11 0.00 1.00 0.00 0.00 64.86 64.73 3ju5 h ILE 178 Cb 1.61 0.80 -0.12 0.00 -0.74 0.00 0.00 36.82 38.38 3ju5 h ILE 178 CO 0.16 0.42 -0.30 0.44 0.00 0.00 0.00 178.15 178.88 3ju5 h ASP 179 N 0.98 -1.04 0.80 1.72 3.32 -0.34 0.97 116.42 122.82 3ju5 h ASP 179 Ca 0.17 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3ju5 h ASP 179 Cb 0.57 0.54 0.00 0.00 0.22 0.00 0.00 39.33 40.66 3ju5 h ASP 179 CO 0.03 -0.29 0.00 0.47 -1.72 0.00 0.00 179.24 177.74 3ju5 n ASP 180 N -5.44 0.00 -2.65 6.45 8.00 -0.61 -4.89 116.55 117.41 3ju5 n ASP 180 Ca 0.05 0.48 -0.14 0.00 0.71 0.00 0.00 54.79 55.89 3ju5 n ASP 180 Cb 0.36 -0.49 0.06 0.00 -0.02 0.00 0.00 41.12 41.02 3ju5 n ASP 180 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3ju5 n HIS 181 N -1.49 -1.78 0.01 1.24 8.25 0.33 -4.96 115.22 116.82 3ju5 n HIS 181 Ca 0.06 0.68 0.08 0.00 -0.26 0.00 0.00 57.72 58.27 3ju5 n HIS 181 Cb 0.27 -3.93 -0.12 0.00 1.12 0.00 0.00 29.99 27.33 3ju5 n HIS 181 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ju5 n PHE 182 N -3.77 0.35 -2.01 4.41 3.72 0.63 -4.92 117.46 115.88 3ju5 n PHE 182 Ca -0.08 0.11 -0.43 0.00 -0.05 0.00 0.00 57.45 57.00 3ju5 n PHE 182 Cb 0.57 -0.73 -0.03 0.00 -0.94 0.00 0.00 39.48 38.36 3ju5 n PHE 182 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3ju5 s LEU 183 N -4.97 4.04 0.43 4.37 2.96 -1.22 -5.02 118.68 119.27 3ju5 s LEU 183 Ca -0.06 1.92 -0.24 0.00 -0.22 0.00 0.00 54.13 55.53 3ju5 s LEU 183 Cb 0.11 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.20 3ju5 s LEU 183 CO 0.86 -1.19 1.20 0.72 -1.32 0.00 0.00 176.35 176.63 3ju5 s PHE 184 N 5.00 2.91 0.23 5.38 -0.71 -1.26 -4.96 117.98 124.56 3ju5 s PHE 184 Ca 0.76 1.51 -0.32 0.00 -1.04 0.00 0.00 56.93 57.84 3ju5 s PHE 184 Cb -0.30 -3.47 -0.13 0.00 -1.21 0.00 0.00 43.02 37.91 3ju5 s PHE 184 CO 0.31 -1.63 1.44 -0.25 -1.34 0.00 0.00 175.22 173.75 3ju5 n ASP 185 N -0.18 2.84 -4.78 1.98 8.00 -1.26 -4.94 116.55 118.21 3ju5 n ASP 185 Ca 0.06 1.13 -0.37 0.00 0.71 0.00 0.00 54.79 56.32 3ju5 n ASP 185 Cb 0.46 -1.43 -0.04 0.00 -0.02 0.00 0.00 41.12 40.10 3ju5 n ASP 185 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ju5 s ARG 186 N -0.18 4.15 -1.30 -1.24 1.70 -1.26 -4.87 118.95 115.95 3ju5 s ARG 186 Ca 0.70 1.55 -0.18 0.00 -0.47 0.00 0.00 55.73 57.33 3ju5 s ARG 186 Cb -0.65 -2.56 0.03 0.00 -0.57 0.00 0.00 34.95 31.20 3ju5 s ARG 186 CO 0.48 -0.17 1.90 -0.35 -1.08 0.00 0.00 175.30 176.08 3ju5 n PRO 187 N -0.05 2.83 -0.00 3.89 -0.04 -1.26 -4.65 135.00 135.71 3ju5 n PRO 187 Ca 0.05 -2.92 0.07 0.00 -0.04 0.00 0.00 63.50 60.65 3ju5 n PRO 187 Cb 0.49 -3.44 -0.09 0.00 -0.04 0.00 0.00 33.50 30.43 3ju5 n PRO 187 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3ju5 n VAL 188 N 6.19 0.00 -1.31 0.52 0.24 -1.26 -4.54 118.33 118.17 3ju5 n VAL 188 Ca 0.49 -0.24 -0.32 0.00 -2.04 0.00 0.00 64.34 62.23 3ju5 n VAL 188 Cb 0.44 0.63 0.10 0.00 -1.47 0.00 0.00 33.84 33.54 3ju5 n VAL 188 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3ju5 s SER 189 N -2.85 4.21 0.42 -1.34 1.04 -1.26 -4.81 113.70 109.11 3ju5 s SER 189 Ca 0.00 2.10 0.18 0.00 0.48 0.00 0.00 55.95 58.72 3ju5 s SER 189 Cb 0.09 -2.56 0.92 0.00 0.10 0.00 0.00 66.02 64.57 3ju5 s SER 189 CO 0.55 -2.24 1.88 0.03 0.98 0.00 0.00 173.24 174.45 3ju5 h ARG 190 N -0.76 0.00 -0.24 4.02 3.08 -1.99 -2.17 114.38 116.31 3ju5 h ARG 190 Ca -0.45 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.59 3ju5 h ARG 190 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 3ju5 h ARG 190 CO 0.49 0.29 0.11 1.25 -1.07 0.00 0.00 179.97 181.04 3ju5 h HIS 191 N 0.00 0.35 -0.25 3.04 2.76 -1.95 -1.60 115.15 117.50 3ju5 h HIS 191 Ca -0.00 -0.02 -0.18 0.00 -2.20 0.00 0.00 60.37 57.97 3ju5 h HIS 191 Cb 0.60 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.45 3ju5 h HIS 191 CO 0.00 0.36 -0.56 0.74 -1.30 0.00 0.00 177.93 177.17 3ju5 h PHE 192 N 0.25 0.97 0.07 5.26 -1.00 -1.75 -2.36 116.94 118.39 3ju5 h PHE 192 Ca 0.08 -0.35 -0.29 0.00 2.81 0.00 0.00 57.97 60.23 3ju5 h PHE 192 Cb 0.14 -0.18 0.03 0.00 3.61 0.00 0.00 35.95 39.55 3ju5 h PHE 192 CO -0.02 1.15 -1.17 1.79 -1.61 0.00 0.00 178.31 178.45 3ju5 h THR 193 N 0.59 1.29 -0.15 -1.55 1.35 -1.43 -3.06 112.91 109.94 3ju5 h THR 193 Ca 0.01 -2.39 -0.05 0.00 -0.55 0.00 0.00 66.41 63.43 3ju5 h THR 193 Cb 1.15 2.58 -0.01 0.00 -1.73 0.00 0.00 68.15 70.13 3ju5 h THR 193 CO 0.12 0.73 -0.12 0.28 -0.25 0.00 0.00 175.52 176.28 3ju5 h SER 194 N 0.32 0.22 -0.20 5.36 0.02 -1.38 -2.56 113.55 115.31 3ju5 h SER 194 Ca -0.16 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3ju5 h SER 194 Cb 1.83 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.31 3ju5 h SER 194 CO 0.22 0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.89 3ju5 n GLY 195 N -0.91 0.04 1.84 -3.77 0.00 -0.89 -3.95 105.19 97.54 3ju5 n GLY 195 Ca -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 46.02 45.74 3ju5 n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ju5 n GLY 196 N 0.91 -0.40 0.96 -0.02 0.00 -0.97 -4.35 105.19 101.31 3ju5 n GLY 196 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3ju5 n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ju5 n ALA 198 N -1.24 0.00 -1.71 4.61 0.00 -1.17 -4.55 120.51 116.45 3ju5 n ALA 198 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3ju5 n ALA 198 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 3ju5 n ALA 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ju5 n ARG 199 N 0.05 2.19 -0.86 0.00 1.74 -1.26 -2.47 116.66 116.06 3ju5 n ARG 199 Ca 0.00 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 3ju5 n ARG 199 Cb 0.00 -2.38 0.00 0.00 -1.02 0.00 0.00 32.46 29.06 3ju5 n ARG 199 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3ju5 n ASP 200 N 0.68 0.00 -4.74 0.55 8.00 -1.26 -4.93 116.55 114.85 3ju5 n ASP 200 Ca 0.04 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.13 3ju5 n ASP 200 Cb 0.37 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3ju5 n ASP 200 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3ju5 n PHE 201 N -2.00 2.65 0.38 1.24 7.35 -1.03 -0.36 117.46 125.70 3ju5 n PHE 201 Ca 0.00 0.48 0.07 0.00 -0.76 0.00 0.00 57.45 57.24 3ju5 n PHE 201 Cb 0.00 -2.47 0.21 0.00 0.35 0.00 0.00 39.48 37.57 3ju5 n PHE 201 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3ju5 n PRO 202 N 0.35 2.37 -1.67 -7.13 -0.04 -1.26 -5.12 135.00 122.50 3ju5 n PRO 202 Ca 0.03 -1.70 -0.49 0.00 -0.04 0.00 0.00 63.50 61.30 3ju5 n PRO 202 Cb 0.38 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.29 3ju5 n PRO 202 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3ju5 n ASP 203 N 0.72 3.09 0.00 3.54 2.03 0.52 -1.84 116.55 124.62 3ju5 n ASP 203 Ca 0.16 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.49 3ju5 n ASP 203 Cb 0.49 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 3ju5 n ASP 203 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ju5 n GLY 204 N 3.94 1.30 3.79 0.27 0.00 -1.26 -4.94 105.19 108.29 3ju5 n GLY 204 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 3ju5 n GLY 204 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ju5 s ARG 205 N -0.39 2.84 -0.04 1.61 3.00 -0.77 -4.56 118.95 120.64 3ju5 s ARG 205 Ca 0.00 -0.99 -0.26 0.00 0.00 0.00 0.00 55.73 54.47 3ju5 s ARG 205 Cb 0.00 -2.56 0.09 0.00 0.00 0.00 0.00 34.95 32.47 3ju5 s ARG 205 CO 0.00 0.44 1.19 0.41 0.00 0.00 0.00 175.30 177.34 3ju5 n GLY 206 N -0.69 0.20 2.87 -3.53 0.00 -1.13 -1.19 105.19 101.73 3ju5 n GLY 206 Ca -0.08 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.76 3ju5 n GLY 206 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ju5 s ILE 207 N -2.02 0.28 -0.08 -0.61 -1.16 0.30 -1.39 121.20 116.51 3ju5 s ILE 207 Ca 0.28 -0.04 0.01 0.00 -0.51 0.00 0.00 60.65 60.39 3ju5 s ILE 207 Cb -0.00 -0.31 -0.02 0.00 0.61 0.00 0.00 42.46 42.73 3ju5 s ILE 207 CO -0.01 0.14 -0.11 0.86 -2.81 0.00 0.00 174.94 173.01 3ju5 s TRP 208 N 0.59 2.83 0.01 3.50 -0.00 0.22 -0.35 118.94 125.74 3ju5 s TRP 208 Ca -0.06 -0.22 -0.06 0.00 -0.00 0.00 0.00 56.10 55.75 3ju5 s TRP 208 Cb -0.09 -1.73 -0.00 0.00 -0.00 0.00 0.00 33.47 31.64 3ju5 s TRP 208 CO -0.01 0.13 0.12 -3.38 -0.00 0.00 0.00 176.95 173.81 3ju5 s HIS 209 N -0.42 0.09 0.66 5.86 -3.43 -1.02 -0.96 115.29 116.08 3ju5 s HIS 209 Ca 0.05 -0.24 -0.12 0.00 -0.80 0.00 0.00 55.06 53.95 3ju5 s HIS 209 Cb -0.12 -0.08 -0.01 0.00 -1.43 0.00 0.00 32.58 30.94 3ju5 s HIS 209 CO 0.02 -0.30 1.06 0.54 -2.00 0.00 0.00 174.74 174.06 3ju5 s ASN 210 N -1.57 5.53 0.44 7.38 6.03 -0.80 -1.88 114.94 130.07 3ju5 s ASN 210 Ca -0.13 1.66 0.11 0.00 -1.03 0.00 0.00 52.86 53.47 3ju5 s ASN 210 Cb -0.06 -2.50 0.97 0.00 -3.03 0.00 0.00 41.25 36.62 3ju5 s ASN 210 CO 0.00 -1.34 2.04 0.44 -2.03 0.00 0.00 177.10 176.21 3ju5 h ASP 211 N -0.39 0.24 -0.02 3.54 3.32 -1.41 -1.27 116.42 120.43 3ju5 h ASP 211 Ca -0.45 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3ju5 h ASP 211 Cb 1.21 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3ju5 h ASP 211 CO 0.57 0.24 0.00 0.29 -1.72 0.00 0.00 179.24 178.62 3ju5 n LYS 212 N -4.43 1.19 -3.59 3.56 5.02 -1.26 -4.93 118.16 113.71 3ju5 n LYS 212 Ca -0.00 -0.28 -0.22 0.00 -2.02 0.00 0.00 58.31 55.79 3ju5 n LYS 212 Cb 0.14 -1.42 0.07 0.00 -0.02 0.00 0.00 35.03 33.80 3ju5 n LYS 212 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ju5 n LYS 213 N -0.59 -6.97 0.00 1.97 5.02 -0.48 -4.88 118.16 112.22 3ju5 n LYS 213 Ca 0.19 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 3ju5 n LYS 213 Cb 0.16 -5.77 0.00 0.00 -0.02 0.00 0.00 35.03 29.40 3ju5 n LYS 213 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3ju5 n ASN 214 N -3.04 0.59 -3.72 4.39 2.04 -1.26 -4.91 115.26 109.35 3ju5 n ASN 214 Ca -0.11 -1.19 -0.15 0.00 -0.44 0.00 0.00 54.58 52.69 3ju5 n ASN 214 Cb 0.60 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.70 3ju5 n ASN 214 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 3ju5 s PHE 215 N -0.19 -0.12 -0.01 -2.53 5.36 -1.26 -4.43 117.98 114.80 3ju5 s PHE 215 Ca 0.00 0.46 -0.03 0.00 -0.96 0.00 0.00 56.93 56.40 3ju5 s PHE 215 Cb 0.00 -0.20 -0.00 0.00 -0.34 0.00 0.00 43.02 42.48 3ju5 s PHE 215 CO 0.00 -0.19 0.07 -1.17 -1.46 0.00 0.00 175.22 172.47 3ju5 s LEU 216 N 1.62 1.77 -0.03 6.12 0.20 0.34 -1.91 118.68 126.79 3ju5 s LEU 216 Ca -0.04 -0.09 0.00 0.00 0.69 0.00 0.00 54.13 54.70 3ju5 s LEU 216 Cb -0.12 0.35 0.03 0.00 -0.43 0.00 0.00 46.19 46.02 3ju5 s LEU 216 CO -0.05 -0.19 -0.00 -0.69 -0.29 0.00 0.00 176.35 175.13 3ju5 s VAL 217 N -0.70 0.22 -0.18 1.68 1.01 -0.13 -0.40 120.40 121.90 3ju5 s VAL 217 Ca -0.08 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 3ju5 s VAL 217 Cb -0.05 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 3ju5 s VAL 217 CO 0.00 0.16 0.12 0.26 0.00 0.00 0.00 175.10 175.65 3ju5 s TRP 218 N 1.07 3.44 -0.20 5.22 0.51 -0.39 -0.61 118.94 127.97 3ju5 s TRP 218 Ca -0.09 0.35 -0.06 0.00 -2.12 0.00 0.00 56.10 54.18 3ju5 s TRP 218 Cb -0.14 -2.10 -0.03 0.00 -0.81 0.00 0.00 33.47 30.40 3ju5 s TRP 218 CO -0.02 0.38 0.03 0.42 -0.51 0.00 0.00 176.95 177.25 3ju5 s ILE 219 N 0.04 4.23 -0.78 2.03 1.01 -0.49 -1.25 121.20 125.99 3ju5 s ILE 219 Ca 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 3ju5 s ILE 219 Cb -0.11 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.44 3ju5 s ILE 219 CO -0.00 0.42 0.31 0.59 0.00 0.00 0.00 174.94 176.26 3ju5 n ASN 220 N 4.16 -3.86 0.00 3.58 3.02 0.42 -2.83 115.26 119.75 3ju5 n ASN 220 Ca -0.17 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 3ju5 n ASN 220 Cb 0.52 -2.74 0.00 0.00 -0.61 0.00 0.00 39.78 36.94 3ju5 n ASN 220 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3ju5 n GLU 221 N -2.40 0.00 0.08 3.52 2.13 -1.26 -4.81 120.64 117.91 3ju5 n GLU 221 Ca -0.06 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.70 3ju5 n GLU 221 Cb 0.56 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.36 3ju5 n GLU 221 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3ju5 h GLU 222 N 0.00 0.23 -6.28 5.31 4.81 -1.96 -3.44 114.58 113.24 3ju5 h GLU 222 Ca 0.00 -0.18 -0.62 0.00 -0.13 0.00 0.00 59.36 58.44 3ju5 h GLU 222 Cb 0.00 0.03 -0.15 0.00 0.63 0.00 0.00 28.75 29.27 3ju5 h GLU 222 CO 0.00 0.81 -0.77 -0.51 -0.73 0.00 0.00 179.01 177.82 3ju5 s ASP 223 N -6.90 3.61 0.34 1.04 1.01 -1.26 -4.35 116.67 110.16 3ju5 s ASP 223 Ca -0.04 -0.98 0.07 0.00 0.71 0.00 0.00 52.55 52.31 3ju5 s ASP 223 Cb 0.12 -0.32 0.75 0.00 1.01 0.00 0.00 42.92 44.48 3ju5 s ASP 223 CO 0.80 0.05 1.88 0.45 0.21 0.00 0.00 175.17 178.57 3ju5 h HIS 224 N 2.42 0.87 -3.95 4.23 3.86 -1.84 -3.27 115.15 117.48 3ju5 h HIS 224 Ca -0.41 0.02 -0.30 0.00 -1.16 0.00 0.00 60.37 58.52 3ju5 h HIS 224 Cb 1.25 -0.28 -0.24 0.00 1.06 0.00 0.00 27.41 29.20 3ju5 h HIS 224 CO 0.78 0.35 -0.74 0.95 0.86 0.00 0.00 177.93 180.13 3ju5 s THR 225 N -5.73 0.51 -0.17 2.45 -4.23 -0.34 -0.44 115.64 107.70 3ju5 s THR 225 Ca -0.10 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 3ju5 s THR 225 Cb 0.22 -0.53 0.03 0.00 1.34 0.00 0.00 72.50 73.56 3ju5 s THR 225 CO 0.79 -0.18 -0.14 -0.60 -0.54 0.00 0.00 174.62 173.94 3ju5 s ARG 226 N -1.02 2.39 -0.18 3.99 3.52 -0.38 -1.73 118.95 125.54 3ju5 s ARG 226 Ca -0.05 -0.71 -0.03 0.00 -0.13 0.00 0.00 55.73 54.80 3ju5 s ARG 226 Cb -0.07 -2.31 -0.02 0.00 -1.56 0.00 0.00 34.95 30.99 3ju5 s ARG 226 CO 0.00 -0.29 -0.05 0.42 -0.81 0.00 0.00 175.30 174.58 3ju5 s ILE 227 N 1.41 3.65 -0.05 4.11 1.01 0.68 -1.26 121.20 130.74 3ju5 s ILE 227 Ca 0.03 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.27 3ju5 s ILE 227 Cb -0.14 -2.61 0.02 0.00 0.01 0.00 0.00 42.46 39.74 3ju5 s ILE 227 CO -0.10 0.47 -0.06 -0.63 0.00 0.00 0.00 174.94 174.61 3ju5 s ILE 228 N 0.75 0.68 0.23 2.92 1.01 0.47 -0.49 121.20 126.77 3ju5 s ILE 228 Ca -0.02 -0.22 0.10 0.00 0.00 0.00 0.00 60.65 60.51 3ju5 s ILE 228 Cb -0.15 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 3ju5 s ILE 228 CO 0.02 0.25 -0.09 -0.55 0.00 0.00 0.00 174.94 174.57 3ju5 s SER 229 N 0.80 4.18 0.00 3.58 0.15 -0.22 -0.50 113.70 121.69 3ju5 s SER 229 Ca -0.12 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.82 3ju5 s SER 229 Cb -0.15 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 3ju5 s SER 229 CO 0.01 0.06 0.00 0.00 1.20 0.00 0.00 173.24 174.51 3ju5 n GLN 231 N -0.41 0.00 0.00 5.44 10.64 -0.63 -0.47 117.38 131.96 3ju5 n GLN 231 Ca -0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 3ju5 n GLN 231 Cb 0.58 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.96 3ju5 n GLN 231 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3ju5 n GLY 233 N 0.00 0.34 0.28 2.61 0.00 -0.44 -1.12 105.19 106.86 3ju5 n GLY 233 Ca 0.00 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.46 3ju5 n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ju5 n GLY 234 N 0.00 4.53 3.84 -0.02 0.00 -1.25 -2.63 105.19 109.66 3ju5 n GLY 234 Ca 0.00 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 3ju5 n GLY 234 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ju5 s ASN 235 N -2.50 6.82 0.00 1.61 3.84 -1.26 -1.35 114.94 122.10 3ju5 s ASN 235 Ca 0.33 1.26 0.00 0.00 0.21 0.00 0.00 52.86 54.66 3ju5 s ASN 235 Cb 0.28 -2.36 0.00 0.00 -0.55 0.00 0.00 41.25 38.61 3ju5 s ASN 235 CO 0.05 -0.12 0.00 1.17 -2.79 0.00 0.00 177.10 175.40 3ju5 n LYS 237 N -0.04 0.00 -0.37 0.43 4.81 -1.26 -2.55 118.16 119.17 3ju5 n LYS 237 Ca 0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.45 3ju5 n LYS 237 Cb 0.53 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.71 3ju5 n LYS 237 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3ju5 h GLU 238 N 0.00 1.28 -0.42 1.64 4.81 -1.95 0.10 114.58 120.03 3ju5 h GLU 238 Ca 0.00 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 3ju5 h GLU 238 Cb 0.00 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.08 3ju5 h GLU 238 CO 0.00 0.84 0.08 0.28 -0.73 0.00 0.00 179.01 179.49 3ju5 h VAL 239 N 1.31 1.24 -0.48 0.32 2.07 -1.89 -2.09 116.25 116.73 3ju5 h VAL 239 Ca 0.38 -0.85 -0.12 0.00 0.82 0.00 0.00 66.70 66.93 3ju5 h VAL 239 Cb -0.09 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3ju5 h VAL 239 CO -0.10 0.30 -0.17 0.15 0.02 0.00 0.00 177.57 177.76 3ju5 h PHE 240 N 0.55 1.08 -0.45 1.57 3.57 -1.77 -1.46 116.94 120.03 3ju5 h PHE 240 Ca 0.13 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 3ju5 h PHE 240 Cb 0.35 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3ju5 h PHE 240 CO 0.02 1.04 0.26 1.49 -2.23 0.00 0.00 178.31 178.89 3ju5 h GLU 241 N 0.84 0.62 -0.46 1.11 4.22 -0.81 -0.42 114.58 119.67 3ju5 h GLU 241 Ca 0.12 -0.06 -0.09 0.00 0.08 0.00 0.00 59.36 59.40 3ju5 h GLU 241 Cb 0.73 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3ju5 h GLU 241 CO 0.06 0.47 -0.06 -0.09 -2.18 0.00 0.00 179.01 177.21 3ju5 h ARG 242 N 0.59 0.86 -0.14 1.92 2.43 -1.25 -1.75 114.38 117.05 3ju5 h ARG 242 Ca 0.16 -0.31 0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3ju5 h ARG 242 Cb 0.03 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.45 3ju5 h ARG 242 CO -0.03 0.94 -0.40 0.35 -1.51 0.00 0.00 179.97 179.32 3ju5 h PHE 243 N 0.71 -1.14 -0.80 2.20 3.57 -1.01 -0.27 116.94 120.19 3ju5 h PHE 243 Ca 0.12 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3ju5 h PHE 243 Cb 0.59 0.52 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 3ju5 h PHE 243 CO 0.04 -0.46 0.37 1.79 -2.23 0.00 0.00 178.31 177.82 3ju5 h THR 244 N -0.47 1.25 -0.22 4.41 1.35 -0.89 -0.30 112.91 118.05 3ju5 h THR 244 Ca 0.08 -0.73 -0.02 0.00 -0.55 0.00 0.00 66.41 65.19 3ju5 h THR 244 Cb 0.61 0.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 3ju5 h THR 244 CO -0.39 0.31 0.05 0.03 -0.25 0.00 0.00 175.52 175.27 3ju5 h ARG 245 N 1.14 0.35 -0.08 4.72 3.08 -1.02 -0.70 114.38 121.87 3ju5 h ARG 245 Ca 0.27 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.28 3ju5 h ARG 245 Cb 0.14 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 3ju5 h ARG 245 CO -0.03 0.47 -0.24 0.78 -1.07 0.00 0.00 179.97 179.88 3ju5 h GLY 246 N 0.17 -0.29 0.09 0.04 0.00 -0.79 -0.38 103.07 101.91 3ju5 h GLY 246 Ca 0.07 0.29 0.10 0.00 0.00 0.00 0.00 47.33 47.79 3ju5 h GLY 246 CO 0.00 -0.20 -0.03 1.41 0.00 0.00 0.00 176.54 177.73 3ju5 h LEU 247 N -0.33 -0.28 -0.07 3.11 3.38 -1.00 0.75 115.31 120.88 3ju5 h LEU 247 Ca 0.08 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3ju5 h LEU 247 Cb 0.45 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3ju5 h LEU 247 CO -0.27 -0.10 0.03 0.74 0.09 0.00 0.00 178.44 178.94 3ju5 h THR 248 N 0.09 1.08 -0.19 0.22 2.02 -0.82 -1.51 112.91 113.81 3ju5 h THR 248 Ca 0.26 -0.24 -0.14 0.00 0.77 0.00 0.00 66.41 67.06 3ju5 h THR 248 Cb 0.40 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3ju5 h THR 248 CO -0.46 0.07 -0.48 -0.33 0.37 0.00 0.00 175.52 174.69 3ju5 h GLU 249 N 0.01 0.49 -0.53 6.66 4.39 -0.75 -0.99 114.58 123.86 3ju5 h GLU 249 Ca 0.02 -0.28 -0.06 0.00 0.34 0.00 0.00 59.36 59.38 3ju5 h GLU 249 Cb 0.09 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3ju5 h GLU 249 CO -0.00 0.87 0.10 0.28 -1.16 0.00 0.00 179.01 179.10 3ju5 h VAL 250 N 0.39 1.25 -0.22 3.13 2.07 -0.72 -1.62 116.25 120.54 3ju5 h VAL 250 Ca 0.02 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3ju5 h VAL 250 Cb 0.99 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3ju5 h VAL 250 CO 0.09 0.33 0.14 -0.08 0.02 0.00 0.00 177.57 178.07 3ju5 h GLU 251 N 0.75 0.28 -0.04 1.57 4.81 -1.13 -1.25 114.58 119.56 3ju5 h GLU 251 Ca 0.16 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3ju5 h GLU 251 Cb 0.38 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 3ju5 h GLU 251 CO 0.01 0.19 -0.13 -0.22 -0.73 0.00 0.00 179.01 178.13 3ju5 h LYS 252 N 0.29 -0.18 -0.24 1.92 3.64 -1.10 -0.64 116.57 120.27 3ju5 h LYS 252 Ca 0.08 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3ju5 h LYS 252 Cb -0.03 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3ju5 h LYS 252 CO -0.02 -0.12 0.02 1.25 -2.27 0.00 0.00 179.45 178.30 3ju5 h HIS 253 N -0.19 0.02 -0.63 1.91 2.76 -1.03 0.14 115.15 118.12 3ju5 h HIS 253 Ca 0.06 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.27 3ju5 h HIS 253 Cb 0.27 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.22 3ju5 h HIS 253 CO -0.20 -0.02 0.39 0.82 -1.30 0.00 0.00 177.93 177.62 3ju5 h ILE 254 N 0.09 1.08 -0.11 6.26 2.04 -1.00 0.21 117.51 126.08 3ju5 h ILE 254 Ca 0.11 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3ju5 h ILE 254 Cb 0.13 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3ju5 h ILE 254 CO -0.17 0.14 -0.06 0.50 0.00 0.00 0.00 178.15 178.56 3ju5 h LYS 255 N 0.77 0.24 -0.93 2.37 3.64 -0.82 0.12 116.57 121.95 3ju5 h LYS 255 Ca 0.26 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3ju5 h LYS 255 Cb 0.03 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 3ju5 h LYS 255 CO -0.11 0.60 0.61 -0.44 -2.27 0.00 0.00 179.45 177.84 3ju5 h ASP 256 N -0.12 1.02 0.76 4.20 3.32 -0.50 0.72 116.42 125.81 3ju5 h ASP 256 Ca 0.02 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 56.86 3ju5 h ASP 256 Cb 0.53 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3ju5 h ASP 256 CO 0.02 0.70 -1.35 0.11 -1.72 0.00 0.00 179.24 177.00 3ju5 h LYS 257 N 1.19 0.00 0.00 3.56 6.56 -0.47 -3.41 116.57 123.99 3ju5 h LYS 257 Ca 0.37 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.96 3ju5 h LYS 257 Cb -0.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.64 3ju5 h LYS 257 CO -0.11 0.45 0.00 0.25 -2.06 0.00 0.00 179.45 177.98 3ju5 n THR 258 N -3.02 0.00 -0.54 -0.16 -2.24 0.41 -5.00 114.28 103.72 3ju5 n THR 258 Ca -0.09 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 3ju5 n THR 258 Cb 0.90 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.15 3ju5 n THR 258 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ju5 n GLY 259 N 0.66 1.73 3.91 3.38 0.00 0.24 -5.00 105.19 110.10 3ju5 n GLY 259 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3ju5 n GLY 259 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ju5 s LYS 260 N -0.07 3.48 0.21 1.61 1.02 -1.25 -4.90 119.74 119.85 3ju5 s LYS 260 Ca 0.00 0.17 -0.01 0.00 0.02 0.00 0.00 55.97 56.16 3ju5 s LYS 260 Cb 0.00 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 3ju5 s LYS 260 CO 0.00 -0.25 0.14 -1.83 -0.92 0.00 0.00 175.35 172.49 3ju5 s GLU 261 N -4.76 1.23 0.00 1.68 -1.05 -1.26 -3.40 118.70 111.15 3ju5 s GLU 261 Ca 0.48 -1.65 0.00 0.00 -0.15 0.00 0.00 54.97 53.65 3ju5 s GLU 261 Cb -0.10 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 3ju5 s GLU 261 CO 0.45 -0.41 0.00 1.19 0.95 0.00 0.00 175.26 177.44 3ju5 n PHE 262 N -0.29 0.00 0.00 4.83 3.72 -1.26 -0.94 117.46 123.52 3ju5 n PHE 262 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3ju5 n PHE 262 Cb 0.66 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 3ju5 n PHE 262 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3ju5 n LYS 264 N 0.00 0.00 -4.08 -1.08 4.81 -1.26 -4.59 118.16 111.96 3ju5 n LYS 264 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 3ju5 n LYS 264 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 3ju5 n LYS 264 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3ju5 s ASN 265 N 0.00 0.12 0.46 3.14 2.20 -0.26 -4.95 114.94 115.64 3ju5 s ASN 265 Ca 0.00 -1.11 0.16 0.00 -0.94 0.00 0.00 52.86 50.97 3ju5 s ASN 265 Cb 0.00 0.41 1.05 0.00 -2.00 0.00 0.00 41.25 40.71 3ju5 s ASN 265 CO 0.00 -0.88 2.00 0.44 -2.94 0.00 0.00 177.10 175.73 3ju5 h ASP 266 N 2.60 0.00 0.00 3.54 3.32 -1.90 -0.24 116.42 123.74 3ju5 h ASP 266 Ca -0.33 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 3ju5 h ASP 266 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3ju5 h ASP 266 CO 0.50 0.17 -0.00 -0.74 -1.72 0.00 0.00 179.24 177.46 3ju5 h HIS 267 N 0.00 -0.00 -0.02 4.55 2.76 -1.87 -2.26 115.15 118.30 3ju5 h HIS 267 Ca -0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3ju5 h HIS 267 Cb 0.32 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.28 3ju5 h HIS 267 CO 0.00 0.71 -0.13 1.28 -1.30 0.00 0.00 177.93 178.48 3ju5 n LEU 268 N -4.66 2.53 0.00 0.26 4.77 -1.23 -2.67 117.00 116.00 3ju5 n LEU 268 Ca -0.07 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 3ju5 n LEU 268 Cb 0.34 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3ju5 n LEU 268 CO 0.24 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3ju5 n GLY 269 N 1.35 3.36 3.73 -0.72 0.00 -0.10 -0.97 105.19 111.83 3ju5 n GLY 269 Ca 0.13 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3ju5 n GLY 269 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ju5 s PHE 270 N 0.00 3.38 -0.23 1.61 0.08 -0.11 -1.10 117.98 121.61 3ju5 s PHE 270 Ca 0.00 1.31 -0.19 0.00 0.12 0.00 0.00 56.93 58.17 3ju5 s PHE 270 Cb 0.00 -3.48 -0.03 0.00 -0.57 0.00 0.00 43.02 38.94 3ju5 s PHE 270 CO 0.00 -1.45 0.57 0.08 -0.10 0.00 0.00 175.22 174.31 3ju5 s VAL 271 N 0.35 5.05 0.32 -0.44 1.01 -1.26 -2.72 120.40 122.71 3ju5 s VAL 271 Ca 0.56 1.02 0.10 0.00 0.00 0.00 0.00 61.98 63.66 3ju5 s VAL 271 Cb -0.33 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 3ju5 s VAL 271 CO 0.34 0.10 -0.12 -0.76 0.00 0.00 0.00 175.10 174.66 3ju5 s LEU 272 N 2.10 2.68 0.10 3.92 1.02 -1.26 -4.32 118.68 122.92 3ju5 s LEU 272 Ca 0.25 -1.15 -0.17 0.00 0.02 0.00 0.00 54.13 53.07 3ju5 s LEU 272 Cb -0.16 -1.00 -0.06 0.00 0.02 0.00 0.00 46.19 45.00 3ju5 s LEU 272 CO 0.09 -0.15 1.56 0.74 0.02 0.00 0.00 176.35 178.62 3ju5 h THR 273 N 2.11 1.24 -3.21 5.49 2.02 -1.87 -3.41 112.91 115.27 3ju5 h THR 273 Ca -0.41 -0.85 -0.59 0.00 0.77 0.00 0.00 66.41 65.33 3ju5 h THR 273 Cb 1.25 1.21 -0.08 0.00 -1.74 0.00 0.00 68.15 68.79 3ju5 h THR 273 CO 0.67 0.28 -0.22 0.00 0.37 0.00 0.00 175.52 176.62 3ju5 h PRO 275 N 6.10 0.00 0.00 0.00 0.11 -1.80 -1.59 132.00 134.82 3ju5 h PRO 275 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 3ju5 h PRO 275 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ju5 h PRO 275 CO 0.71 0.00 -0.07 0.66 -0.21 0.00 0.00 178.00 179.09 3ju5 h SER 276 N 0.00 0.00 -0.46 -2.05 4.64 -1.93 -3.09 113.55 110.66 3ju5 h SER 276 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ju5 h SER 276 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3ju5 h SER 276 CO 0.00 0.07 0.00 0.59 -0.87 0.00 0.00 176.83 176.62 3ju5 n ASN 277 N -3.46 3.50 -4.67 4.97 5.03 -0.60 -4.86 115.26 115.17 3ju5 n ASN 277 Ca -0.02 -1.98 -0.29 0.00 0.87 0.00 0.00 54.58 53.16 3ju5 n ASN 277 Cb 0.21 -0.30 0.17 0.00 -1.02 0.00 0.00 39.78 38.84 3ju5 n ASN 277 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3ju5 s LEU 278 N -1.32 1.94 0.00 3.41 1.43 -1.17 -1.87 118.68 121.11 3ju5 s LEU 278 Ca 0.39 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 3ju5 s LEU 278 Cb 0.22 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.66 3ju5 s LEU 278 CO 0.30 -3.05 0.00 0.61 0.23 0.00 0.00 176.35 174.45 3ju5 n GLY 279 N -0.67 1.02 0.09 -3.19 0.00 -0.15 -3.64 105.19 98.66 3ju5 n GLY 279 Ca 0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 3ju5 n GLY 279 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ju5 n THR 280 N 0.00 1.21 -1.05 2.61 -2.24 -0.58 -0.94 114.28 113.29 3ju5 n THR 280 Ca 0.00 -0.70 -0.02 0.00 -2.27 0.00 0.00 64.05 61.06 3ju5 n THR 280 Cb 0.00 -0.76 -0.01 0.00 -2.10 0.00 0.00 70.33 67.47 3ju5 n THR 280 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ju5 n GLY 281 N 1.41 0.28 3.73 3.38 0.00 -0.78 -4.68 105.19 108.52 3ju5 n GLY 281 Ca -0.10 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 3ju5 n GLY 281 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ju5 s VAL 282 N -1.37 5.15 -0.38 1.61 1.01 -1.26 -3.86 120.40 121.30 3ju5 s VAL 282 Ca 0.00 0.97 -0.05 0.00 0.00 0.00 0.00 61.98 62.90 3ju5 s VAL 282 Cb 0.00 -3.82 0.08 0.00 0.00 0.00 0.00 36.38 32.64 3ju5 s VAL 282 CO 0.00 0.35 0.17 -0.60 0.00 0.00 0.00 175.10 175.02 3ju5 s ARG 283 N 0.43 2.40 -0.32 2.72 3.52 -0.49 -4.86 118.95 122.34 3ju5 s ARG 283 Ca 0.26 -1.48 -0.13 0.00 -0.13 0.00 0.00 55.73 54.25 3ju5 s ARG 283 Cb -0.15 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 3ju5 s ARG 283 CO 0.11 -0.88 0.26 0.00 -0.81 0.00 0.00 175.30 173.99 3ju5 s SER 285 N 1.73 1.71 0.25 0.00 1.04 -0.24 -2.60 113.70 115.59 3ju5 s SER 285 Ca 0.08 -1.08 0.08 0.00 0.48 0.00 0.00 55.95 55.51 3ju5 s SER 285 Cb -0.17 0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.91 3ju5 s SER 285 CO 0.11 -0.41 -0.12 0.68 0.98 0.00 0.00 173.24 174.48 3ju5 s VAL 286 N -3.40 1.81 -0.30 5.02 -7.23 -0.22 -1.41 120.40 114.67 3ju5 s VAL 286 Ca 0.20 -2.20 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 3ju5 s VAL 286 Cb 0.04 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.75 3ju5 s VAL 286 CO 0.03 -0.45 0.09 -1.00 -0.31 0.00 0.00 175.10 173.45 3ju5 s HIS 287 N -2.92 3.16 0.04 2.82 3.76 -0.98 -0.50 115.29 120.68 3ju5 s HIS 287 Ca 0.26 -1.04 0.07 0.00 -0.15 0.00 0.00 55.06 54.21 3ju5 s HIS 287 Cb 0.00 -2.26 -0.02 0.00 1.11 0.00 0.00 32.58 31.41 3ju5 s HIS 287 CO 0.10 -0.60 -0.21 0.00 -0.85 0.00 0.00 174.74 173.19 3ju5 s ALA 288 N 1.49 1.74 -0.59 -1.40 0.00 -0.14 -0.17 121.76 122.69 3ju5 s ALA 288 Ca 0.02 -1.05 -0.19 0.00 0.00 0.00 0.00 51.96 50.75 3ju5 s ALA 288 Cb -0.18 -0.34 0.10 0.00 0.00 0.00 0.00 23.12 22.71 3ju5 s ALA 288 CO 0.03 0.39 0.70 0.15 0.00 0.00 0.00 175.76 177.03 3ju5 s LYS 289 N -1.15 3.04 -0.44 0.00 1.02 0.58 -1.14 119.74 121.65 3ju5 s LYS 289 Ca 0.07 -1.33 0.10 0.00 0.02 0.00 0.00 55.97 54.83 3ju5 s LYS 289 Cb -0.09 -4.27 0.36 0.00 -0.52 0.00 0.00 37.83 33.32 3ju5 s LYS 289 CO 0.02 -1.54 0.86 1.28 -0.92 0.00 0.00 175.35 175.05 3ju5 n LEU 290 N 6.31 2.51 0.17 3.17 4.77 -0.12 -4.89 117.00 128.91 3ju5 n LEU 290 Ca -0.10 -5.12 0.03 0.00 -0.03 0.00 0.00 56.01 50.79 3ju5 n LEU 290 Cb 0.42 0.14 0.27 0.00 -2.33 0.00 0.00 43.42 41.93 3ju5 n LEU 290 CO 0.58 2.23 0.61 1.55 -1.33 0.00 0.00 177.39 181.03 3ju5 h PRO 291 N 2.96 0.00 -1.62 3.23 0.13 -1.76 -1.30 132.00 133.63 3ju5 h PRO 291 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3ju5 h PRO 291 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3ju5 h PRO 291 CO 0.64 0.47 0.00 0.72 -0.23 0.00 0.00 178.00 179.60 3ju5 n HIS 292 N -3.66 0.00 0.00 1.56 8.25 -1.26 -3.00 115.22 117.11 3ju5 n HIS 292 Ca -0.01 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 3ju5 n HIS 292 Cb 0.55 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.47 3ju5 n HIS 292 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ju5 n ALA 294 N 0.91 0.00 0.92 -1.41 0.00 -0.49 -2.71 120.51 117.73 3ju5 n ALA 294 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3ju5 n ALA 294 Cb 0.22 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.15 3ju5 n ALA 294 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ju5 n LYS 295 N 0.00 0.05 -3.18 0.00 5.02 -1.16 -4.84 118.16 114.06 3ju5 n LYS 295 Ca 0.00 0.03 -0.39 0.00 -2.02 0.00 0.00 58.31 55.93 3ju5 n LYS 295 Cb 0.00 -1.55 -0.06 0.00 -0.02 0.00 0.00 35.03 33.40 3ju5 n LYS 295 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ju5 s ASP 296 N -3.28 6.68 0.06 4.39 -1.08 -1.10 -4.95 116.67 117.39 3ju5 s ASP 296 Ca 0.12 0.83 0.15 0.00 -0.52 0.00 0.00 52.55 53.13 3ju5 s ASP 296 Cb 0.17 -2.33 0.63 0.00 -1.46 0.00 0.00 42.92 39.94 3ju5 s ASP 296 CO 0.59 -0.19 1.46 0.29 0.52 0.00 0.00 175.17 177.84 3ju5 n LYS 297 N 4.62 0.04 0.00 4.34 4.76 -1.26 -1.81 118.16 128.86 3ju5 n LYS 297 Ca -0.03 0.33 0.13 0.00 -2.87 0.00 0.00 58.31 55.87 3ju5 n LYS 297 Cb 0.50 -1.59 0.47 0.00 -1.84 0.00 0.00 35.03 32.58 3ju5 n LYS 297 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3ju5 n ARG 298 N -1.67 1.01 0.01 1.97 1.74 -1.26 -4.60 116.66 113.86 3ju5 n ARG 298 Ca 0.03 -0.54 -0.10 0.00 -0.77 0.00 0.00 57.85 56.47 3ju5 n ARG 298 Cb 0.16 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.07 3ju5 n ARG 298 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3ju5 h PHE 299 N 1.32 -0.24 -0.51 -1.55 3.57 -1.76 0.49 116.94 118.26 3ju5 h PHE 299 Ca 0.00 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.55 3ju5 h PHE 299 Cb 0.46 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 3ju5 h PHE 299 CO 0.00 -0.15 0.28 1.49 -2.23 0.00 0.00 178.31 177.70 3ju5 h GLU 300 N -0.12 0.54 -0.46 1.11 4.81 -1.84 -1.24 114.58 117.38 3ju5 h GLU 300 Ca 0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3ju5 h GLU 300 Cb 0.22 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3ju5 h GLU 300 CO -0.16 0.36 0.29 1.49 -0.73 0.00 0.00 179.01 180.26 3ju5 h GLU 301 N 0.56 0.61 -0.42 1.92 4.81 -1.75 0.23 114.58 120.53 3ju5 h GLU 301 Ca 0.22 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3ju5 h GLU 301 Cb 0.08 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3ju5 h GLU 301 CO -0.13 0.42 0.27 0.82 -0.73 0.00 0.00 179.01 179.66 3ju5 h ILE 302 N 0.62 1.08 0.07 2.32 2.04 -0.61 -0.43 117.51 122.60 3ju5 h ILE 302 Ca 0.17 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 3ju5 h ILE 302 Cb -0.05 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3ju5 h ILE 302 CO -0.03 0.10 -0.04 0.00 0.00 0.00 0.00 178.15 178.17 3ju5 h THR 304 N -0.11 1.14 0.00 0.00 2.02 -0.37 0.53 112.91 116.12 3ju5 h THR 304 Ca -0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3ju5 h THR 304 Cb 0.10 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 3ju5 h THR 304 CO 0.00 0.17 0.00 0.29 0.37 0.00 0.00 175.52 176.35 3ju5 n LYS 305 N -4.61 0.12 -1.79 6.66 5.02 -0.19 -4.36 118.16 119.02 3ju5 n LYS 305 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3ju5 n LYS 305 Cb 0.06 -1.44 0.02 0.00 -0.02 0.00 0.00 35.03 33.65 3ju5 n LYS 305 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ju5 n ARG 307 N 1.42 0.50 -4.33 1.97 5.12 -0.79 -5.04 116.66 115.52 3ju5 n ARG 307 Ca 0.00 -2.01 -0.30 0.00 -1.93 0.00 0.00 57.85 53.61 3ju5 n ARG 307 Cb 0.06 -0.18 -0.10 0.00 -1.16 0.00 0.00 32.46 31.08 3ju5 n ARG 307 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3ju5 s LEU 308 N -1.22 3.01 -0.10 0.55 1.43 0.11 -0.18 118.68 122.27 3ju5 s LEU 308 Ca 0.22 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3ju5 s LEU 308 Cb 0.29 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 3ju5 s LEU 308 CO -0.10 0.21 -0.03 -1.58 0.23 0.00 0.00 176.35 175.08 3ju5 s GLN 309 N -1.95 3.11 -0.11 1.70 0.74 -0.14 -3.50 119.66 119.51 3ju5 s GLN 309 Ca 0.20 -0.48 -0.01 0.00 0.05 0.00 0.00 55.36 55.12 3ju5 s GLN 309 Cb -0.11 -2.77 -0.03 0.00 1.10 0.00 0.00 33.01 31.20 3ju5 s GLN 309 CO 0.11 0.56 -0.06 -1.59 -0.55 0.00 0.00 175.29 173.76 3ju5 s LYS 310 N -0.50 3.18 -0.05 1.67 -2.85 -1.26 -1.19 119.74 118.73 3ju5 s LYS 310 Ca 0.08 -0.55 0.00 0.00 -1.00 0.00 0.00 55.97 54.50 3ju5 s LYS 310 Cb -0.12 -2.72 0.02 0.00 -2.06 0.00 0.00 37.83 32.95 3ju5 s LYS 310 CO 0.02 0.45 -0.02 0.50 0.10 0.00 0.00 175.35 176.40 3ju5 s ARG 311 N -0.23 0.67 0.47 1.78 3.52 -0.70 -5.00 118.95 119.45 3ju5 s ARG 311 Ca 0.03 0.00 0.06 0.00 -0.13 0.00 0.00 55.73 55.69 3ju5 s ARG 311 Cb -0.13 -0.85 0.06 0.00 -1.56 0.00 0.00 34.95 32.47 3ju5 s ARG 311 CO 0.03 -0.18 0.48 0.41 -0.81 0.00 0.00 175.30 175.23 3ju5 n GLY 312 N 4.50 2.44 0.26 8.12 0.00 -1.26 -0.42 105.19 118.83 3ju5 n GLY 312 Ca -0.18 -2.25 0.16 0.00 0.00 0.00 0.00 46.02 43.75 3ju5 n GLY 312 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ju5 h THR 313 N 0.40 0.00 0.00 2.61 1.35 -2.01 -3.47 112.91 111.79 3ju5 h THR 313 Ca -0.27 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3ju5 h THR 313 Cb 1.06 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3ju5 h THR 313 CO 0.40 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.47 3ju5 n SER 314 N -3.03 0.50 0.00 5.36 7.64 -1.26 -5.25 113.62 117.58 3ju5 n SER 314 Ca 0.01 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3ju5 n SER 314 Cb 0.34 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 3ju5 n SER 314 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3ju5 n VAL 321 N -3.01 0.00 -0.20 0.44 3.14 -1.26 -5.24 118.33 112.20 3ju5 n VAL 321 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3ju5 n VAL 321 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3ju5 n VAL 321 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ju5 n GLY 322 N 0.00 1.51 2.31 7.55 0.00 -1.26 -2.72 105.19 112.59 3ju5 n GLY 322 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3ju5 n GLY 322 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ju5 n GLY 323 N -2.00 0.60 3.70 -0.02 0.00 -1.26 -4.36 105.19 101.85 3ju5 n GLY 323 Ca 0.00 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 3ju5 n GLY 323 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ju5 s VAL 324 N -2.57 5.16 0.02 1.61 1.01 -1.10 -0.95 120.40 123.57 3ju5 s VAL 324 Ca 0.00 0.97 0.06 0.00 0.00 0.00 0.00 61.98 63.02 3ju5 s VAL 324 Cb 0.00 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3ju5 s VAL 324 CO 0.00 0.27 -0.19 -0.31 0.00 0.00 0.00 175.10 174.88 3ju5 s TYR 325 N 0.97 1.64 -0.14 5.22 2.02 -0.29 -4.27 117.35 122.50 3ju5 s TYR 325 Ca 0.26 -0.34 -0.29 0.00 -0.37 0.00 0.00 57.07 56.32 3ju5 s TYR 325 Cb -0.15 -1.00 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 3ju5 s TYR 325 CO 0.10 0.04 1.04 0.34 -1.57 0.00 0.00 175.55 175.50 3ju5 s ASP 326 N -0.87 7.17 -0.17 2.29 2.15 0.44 -0.96 116.67 126.71 3ju5 s ASP 326 Ca 0.06 1.52 -0.00 0.00 0.43 0.00 0.00 52.55 54.56 3ju5 s ASP 326 Cb -0.08 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3ju5 s ASP 326 CO 0.01 -0.54 -0.14 -0.63 -0.17 0.00 0.00 175.17 173.69 3ju5 s ILE 327 N 2.45 2.66 0.26 4.11 -1.09 0.35 -1.73 121.20 128.21 3ju5 s ILE 327 Ca 0.48 -0.76 0.02 0.00 -2.23 0.00 0.00 60.65 58.16 3ju5 s ILE 327 Cb -0.18 -2.14 -0.04 0.00 -1.58 0.00 0.00 42.46 38.52 3ju5 s ILE 327 CO 0.14 0.50 0.15 -0.94 -1.23 0.00 0.00 174.94 173.57 3ju5 s SER 328 N 1.04 0.92 0.21 3.58 1.04 -0.33 -1.06 113.70 119.10 3ju5 s SER 328 Ca -0.01 -1.48 -0.30 0.00 0.48 0.00 0.00 55.95 54.64 3ju5 s SER 328 Cb -0.15 0.36 -0.08 0.00 0.10 0.00 0.00 66.02 66.25 3ju5 s SER 328 CO -0.04 -0.86 1.11 0.54 0.98 0.00 0.00 173.24 174.98 3ju5 s ASN 329 N -3.27 7.24 0.20 7.02 4.22 -1.07 -0.97 114.94 128.30 3ju5 s ASN 329 Ca 0.38 2.16 0.08 0.00 -2.14 0.00 0.00 52.86 53.35 3ju5 s ASN 329 Cb 0.06 -2.61 0.08 0.00 1.28 0.00 0.00 41.25 40.06 3ju5 s ASN 329 CO 0.16 -0.22 1.45 0.25 -2.04 0.00 0.00 177.10 176.70 3ju5 h LEU 330 N 4.75 0.02 -9.59 3.54 5.85 -0.86 -3.44 115.31 115.58 3ju5 h LEU 330 Ca -0.45 -0.02 -0.65 0.00 0.84 0.00 0.00 57.88 57.60 3ju5 h LEU 330 Cb 1.21 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.16 3ju5 h LEU 330 CO 0.71 0.81 -0.45 -1.81 -0.34 0.00 0.00 178.44 177.36 3ju5 s ASP 331 N -6.80 6.41 0.00 1.25 1.01 -1.26 -4.99 116.67 112.29 3ju5 s ASP 331 Ca -0.00 0.49 0.00 0.00 0.71 0.00 0.00 52.55 53.74 3ju5 s ASP 331 Cb 0.11 -2.09 0.00 0.00 1.01 0.00 0.00 42.92 41.95 3ju5 s ASP 331 CO 0.79 0.37 0.00 0.54 0.21 0.00 0.00 175.17 177.08 3ju5 n ARG 332 N 2.19 1.68 -4.63 8.23 1.74 -1.26 -4.94 116.66 119.67 3ju5 n ARG 332 Ca -0.19 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.56 3ju5 n ARG 332 Cb 0.54 -0.87 -0.15 0.00 -1.02 0.00 0.00 32.46 30.96 3ju5 n ARG 332 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3ju5 s LEU 333 N -3.74 2.42 0.00 0.55 2.96 -1.24 -1.53 118.68 118.10 3ju5 s LEU 333 Ca 0.00 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.43 3ju5 s LEU 333 Cb 0.00 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 45.15 3ju5 s LEU 333 CO 0.00 0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 3ju5 n GLY 334 N 3.96 0.80 3.12 7.98 0.00 -1.26 -5.01 105.19 114.78 3ju5 n GLY 334 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 3ju5 n GLY 334 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ju5 s SER 335 N -2.29 0.39 0.57 1.61 1.04 -1.26 -4.91 113.70 108.85 3ju5 s SER 335 Ca 0.00 -0.98 -0.04 0.00 0.48 0.00 0.00 55.95 55.41 3ju5 s SER 335 Cb 0.00 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.38 3ju5 s SER 335 CO 0.00 -0.65 0.85 -0.94 0.98 0.00 0.00 173.24 173.48 3ju5 s SER 336 N -2.93 5.52 0.23 7.02 1.04 -1.26 -4.72 113.70 118.59 3ju5 s SER 336 Ca 0.10 0.51 -0.08 0.00 0.48 0.00 0.00 55.95 56.97 3ju5 s SER 336 Cb 0.07 -1.51 0.38 0.00 0.10 0.00 0.00 66.02 65.06 3ju5 s SER 336 CO -0.08 -1.06 1.69 -0.33 0.98 0.00 0.00 173.24 174.44 3ju5 h GLU 337 N -0.07 0.24 -0.16 4.02 3.07 -1.85 -0.33 114.58 119.49 3ju5 h GLU 337 Ca -0.45 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 3ju5 h GLU 337 Cb 1.27 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 3ju5 h GLU 337 CO 0.59 0.16 0.10 0.28 -1.40 0.00 0.00 179.01 178.74 3ju5 h VAL 338 N 0.25 1.06 -0.53 3.13 2.07 -1.88 0.10 116.25 120.45 3ju5 h VAL 338 Ca 0.37 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.77 3ju5 h VAL 338 Cb 0.59 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3ju5 h VAL 338 CO -0.47 0.06 0.31 -0.33 0.02 0.00 0.00 177.57 177.16 3ju5 h GLU 339 N 0.20 0.61 -0.29 1.57 5.08 -1.81 -0.33 114.58 119.61 3ju5 h GLU 339 Ca 0.06 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3ju5 h GLU 339 Cb 0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3ju5 h GLU 339 CO -0.01 0.40 0.03 1.96 -1.00 0.00 0.00 179.01 180.39 3ju5 h GLN 340 N 0.62 0.49 -0.58 2.33 4.20 -0.70 0.35 115.11 121.83 3ju5 h GLN 340 Ca 0.21 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 3ju5 h GLN 340 Cb 0.03 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3ju5 h GLN 340 CO -0.10 0.61 0.23 0.28 -0.67 0.00 0.00 178.83 179.19 3ju5 h VAL 341 N 0.30 1.22 -0.22 -0.54 2.07 -0.90 -1.93 116.25 116.26 3ju5 h VAL 341 Ca 0.09 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 3ju5 h VAL 341 Cb 0.37 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3ju5 h VAL 341 CO 0.01 0.27 -0.20 0.78 0.02 0.00 0.00 177.57 178.45 3ju5 h ASN 342 N 0.79 0.37 -0.54 0.57 2.35 -0.94 -1.38 115.58 116.81 3ju5 h ASN 342 Ca 0.19 -0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 3ju5 h ASN 342 Cb 0.20 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 3ju5 h ASN 342 CO -0.02 0.59 0.28 0.00 -1.65 0.00 0.00 177.43 176.64 3ju5 h VAL 344 N 0.54 1.14 0.08 0.00 2.07 -0.80 -1.00 116.25 118.29 3ju5 h VAL 344 Ca 0.23 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3ju5 h VAL 344 Cb 0.13 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3ju5 h VAL 344 CO -0.15 0.13 -0.06 0.40 0.02 0.00 0.00 177.57 177.91 3ju5 h ILE 345 N 0.20 0.86 -0.39 4.57 2.04 -1.01 0.75 117.51 124.53 3ju5 h ILE 345 Ca 0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.96 3ju5 h ILE 345 Cb 0.13 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3ju5 h ILE 345 CO -0.01 0.00 0.20 0.11 0.00 0.00 0.00 178.15 178.46 3ju5 h LYS 346 N -0.15 0.40 -0.12 2.37 1.79 -0.94 -1.32 116.57 118.60 3ju5 h LYS 346 Ca -0.00 -0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.27 3ju5 h LYS 346 Cb 0.13 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 3ju5 h LYS 346 CO -0.00 0.27 -0.65 0.78 -1.08 0.00 0.00 179.45 178.76 3ju5 h GLY 347 N 0.42 0.52 1.61 3.86 0.00 -0.99 -2.65 103.07 105.84 3ju5 h GLY 347 Ca 0.16 -0.68 -0.14 0.00 0.00 0.00 0.00 47.33 46.67 3ju5 h GLY 347 CO -0.10 0.60 -0.51 -2.08 0.00 0.00 0.00 176.54 174.45 3ju5 h VAL 348 N 0.34 1.33 -0.61 4.60 2.07 -0.76 -1.01 116.25 122.22 3ju5 h VAL 348 Ca -0.01 -1.76 0.07 0.00 0.82 0.00 0.00 66.70 65.82 3ju5 h VAL 348 Cb 1.21 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 32.70 3ju5 h VAL 348 CO 0.12 0.54 0.29 0.11 0.02 0.00 0.00 177.57 178.64 3ju5 h LYS 349 N 0.32 0.51 -0.32 1.57 1.57 -1.10 0.17 116.57 119.29 3ju5 h LYS 349 Ca 0.01 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3ju5 h LYS 349 Cb 1.01 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 3ju5 h LYS 349 CO 0.09 0.34 0.10 0.28 -0.57 0.00 0.00 179.45 179.68 3ju5 h VAL 350 N 0.53 1.21 -0.72 0.50 2.07 -1.03 -1.79 116.25 117.03 3ju5 h VAL 350 Ca 0.29 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 67.23 3ju5 h VAL 350 Cb 0.26 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3ju5 h VAL 350 CO -0.23 0.23 0.47 -0.07 0.02 0.00 0.00 177.57 178.00 3ju5 h LEU 351 N 0.37 0.53 -0.21 2.57 3.38 -0.58 -2.29 115.31 119.07 3ju5 h LEU 351 Ca 0.10 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 3ju5 h LEU 351 Cb 0.26 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ju5 h LEU 351 CO -0.00 0.31 -0.33 0.40 0.09 0.00 0.00 178.44 178.91 3ju5 h ILE 352 N 0.58 1.33 0.00 1.22 2.04 -0.69 0.16 117.51 122.15 3ju5 h ILE 352 Ca 0.33 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.65 3ju5 h ILE 352 Cb 0.52 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 3ju5 h ILE 352 CO -0.11 0.48 0.00 -0.62 0.00 0.00 0.00 178.15 177.89 3ju5 n GLU 353 N -4.30 0.00 0.00 2.37 1.02 -0.70 -1.06 120.64 117.97 3ju5 n GLU 353 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3ju5 n GLU 353 Cb 0.49 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 3ju5 n GLU 353 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3ju5 n GLU 355 N 0.80 0.00 -0.13 3.49 4.07 0.56 -1.87 120.64 127.56 3ju5 n GLU 355 Ca 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.01 3ju5 n GLU 355 Cb 0.00 0.00 0.06 0.00 -0.06 0.00 0.00 31.44 31.44 3ju5 n GLU 355 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3ju5 h LYS 356 N 0.00 0.90 -0.43 5.31 1.57 -1.35 -1.65 116.57 120.92 3ju5 h LYS 356 Ca 0.00 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 3ju5 h LYS 356 Cb 0.00 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3ju5 h LYS 356 CO 0.00 0.99 0.22 0.87 -0.57 0.00 0.00 179.45 180.97 3ju5 h LYS 357 N 0.79 0.61 -0.47 3.15 1.79 -1.64 -3.18 116.57 117.63 3ju5 h LYS 357 Ca 0.12 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 3ju5 h LYS 357 Cb 0.70 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 3ju5 h LYS 357 CO 0.05 0.51 0.12 -0.07 -1.08 0.00 0.00 179.45 178.98 3ju5 h LEU 358 N 0.56 0.65 -1.79 2.94 3.38 -1.63 0.00 115.31 119.43 3ju5 h LEU 358 Ca 0.15 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3ju5 h LEU 358 Cb 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3ju5 h LEU 358 CO -0.02 0.64 0.24 -0.33 0.09 0.00 0.00 178.44 179.06 3ju5 h GLU 359 N 0.68 0.26 -0.23 1.13 5.08 -1.29 -1.42 114.58 118.80 3ju5 h GLU 359 Ca 0.16 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3ju5 h GLU 359 Cb 0.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3ju5 h GLU 359 CO -0.00 0.17 0.00 1.63 -1.00 0.00 0.00 179.01 179.81 3ju5 n LYS 360 N -4.48 2.05 -2.91 2.33 5.02 -0.55 -4.92 118.16 114.70 3ju5 n LYS 360 Ca 0.04 -1.58 -0.18 0.00 -2.02 0.00 0.00 58.31 54.57 3ju5 n LYS 360 Cb 0.23 -1.45 0.03 0.00 -0.02 0.00 0.00 35.03 33.83 3ju5 n LYS 360 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ju5 n GLY 361 N 1.29 -0.25 3.86 0.72 0.00 -0.54 -5.02 105.19 105.24 3ju5 n GLY 361 Ca 0.17 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 3ju5 n GLY 361 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ju5 s GLU 362 N -5.51 2.70 0.38 1.61 2.02 -0.12 -5.01 118.70 114.77 3ju5 s GLU 362 Ca 0.26 -1.32 -0.26 0.00 0.02 0.00 0.00 54.97 53.68 3ju5 s GLU 362 Cb -0.12 -2.47 -0.09 0.00 0.10 0.00 0.00 34.13 31.56 3ju5 s GLU 362 CO 0.33 0.05 1.14 0.45 0.02 0.00 0.00 175.26 177.25 3ju5 s SER 363 N -4.02 6.67 0.00 -0.19 0.15 -1.26 -4.20 113.70 110.85 3ju5 s SER 363 Ca 0.42 2.28 0.05 0.00 0.70 0.00 0.00 55.95 59.40 3ju5 s SER 363 Cb -0.05 -2.61 0.11 0.00 -1.71 0.00 0.00 66.02 61.76 3ju5 s SER 363 CO 0.27 -0.57 0.97 2.30 1.20 0.00 0.00 173.24 177.41 3ju5 n ILE 364 N 0.20 0.66 0.10 6.45 -5.35 -1.26 -4.80 119.36 115.36 3ju5 n ILE 364 Ca 0.04 -0.83 0.01 0.00 -0.27 0.00 0.00 62.75 61.70 3ju5 n ILE 364 Cb 0.47 0.71 0.35 0.00 -1.74 0.00 0.00 39.64 39.43 3ju5 n ILE 364 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3ju5 h ASP 365 N 1.01 0.27 0.46 7.28 3.32 -1.98 0.20 116.42 126.97 3ju5 h ASP 365 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3ju5 h ASP 365 Cb 0.48 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3ju5 h ASP 365 CO 0.00 0.44 0.00 0.47 -1.72 0.00 0.00 179.24 178.43 3ju5 n ASP 366 N -4.24 0.00 0.02 6.45 9.92 -1.26 -3.11 116.55 124.33 3ju5 n ASP 366 Ca -0.00 -0.31 0.11 0.00 -0.53 0.00 0.00 54.79 54.06 3ju5 n ASP 366 Cb 0.29 -0.23 -0.06 0.00 -0.64 0.00 0.00 41.12 40.48 3ju5 n ASP 366 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3ju5 n LEU 367 N -1.23 0.49 -4.73 0.64 4.77 0.68 -4.95 117.00 112.67 3ju5 n LEU 367 Ca 0.16 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.70 3ju5 n LEU 367 Cb 0.21 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3ju5 n LEU 367 CO 0.22 0.02 1.23 -0.69 -1.33 0.00 0.00 177.39 176.85 3ju5 s VAL 368 N -3.30 2.47 0.54 4.08 1.01 -1.13 -4.96 120.40 119.10 3ju5 s VAL 368 Ca -0.00 0.35 -0.20 0.00 0.00 0.00 0.00 61.98 62.13 3ju5 s VAL 368 Cb 0.14 -3.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 3ju5 s VAL 368 CO 0.85 0.03 1.14 -2.16 0.00 0.00 0.00 175.10 174.96 3ju5 s PRO 369 N 0.73 3.35 0.00 2.72 0.04 -1.26 -5.09 135.00 135.49 3ju5 s PRO 369 Ca 0.68 1.65 0.02 0.00 0.04 0.00 0.00 61.00 63.40 3ju5 s PRO 369 Cb -0.45 -2.03 0.15 0.00 0.04 0.00 0.00 34.50 32.21 3ju5 s PRO 369 CO 0.35 -0.86 0.63 1.63 0.04 0.00 0.00 177.00 178.79