#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vur s LEU 42 N 0.00 3.63 -0.10 1.34 1.43 -1.26 -4.41 118.68 119.31 2vur s LEU 42 Ca 0.00 1.76 -0.27 0.00 -1.03 0.00 0.00 54.13 54.59 2vur s LEU 42 Cb 0.00 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.67 2vur s LEU 42 CO 0.00 -0.88 0.86 -0.69 0.23 0.00 0.00 176.35 175.88 2vur s VAL 43 N -2.40 4.90 1.04 -1.59 1.01 -1.26 -4.64 120.40 117.46 2vur s VAL 43 Ca 0.63 1.75 -0.12 0.00 0.00 0.00 0.00 61.98 64.24 2vur s VAL 43 Cb -0.14 -4.18 0.21 0.00 0.00 0.00 0.00 36.38 32.27 2vur s VAL 43 CO 0.31 0.10 1.08 -2.84 0.00 0.00 0.00 175.10 173.75 2vur s PRO 44 N 1.57 0.11 0.21 2.72 0.02 -1.26 -4.96 135.00 133.42 2vur s PRO 44 Ca 0.43 0.60 -0.32 0.00 0.02 0.00 0.00 61.00 61.73 2vur s PRO 44 Cb -0.18 -1.69 -0.13 0.00 0.02 0.00 0.00 34.50 32.51 2vur s PRO 44 CO 0.18 -2.97 1.48 0.09 -0.33 0.00 0.00 177.00 175.45 2vur n ASN 45 N -4.35 2.92 -4.25 2.53 3.02 -1.26 -4.99 115.26 108.87 2vur n ASN 45 Ca 0.05 1.12 -0.28 0.00 -0.03 0.00 0.00 54.58 55.43 2vur n ASN 45 Cb 0.56 -1.43 -0.16 0.00 -0.61 0.00 0.00 39.78 38.14 2vur n ASN 45 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2vur s LEU 46 N 0.37 2.04 -0.11 3.41 1.43 -1.26 -4.88 118.68 119.67 2vur s LEU 46 Ca 0.72 -0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 53.36 2vur s LEU 46 Cb -0.66 -1.16 0.05 0.00 0.03 0.00 0.00 46.19 44.46 2vur s LEU 46 CO 0.45 0.27 0.25 0.21 0.23 0.00 0.00 176.35 177.76 2vur s ASN 47 N -0.51 -0.01 0.72 2.29 2.47 -1.26 -3.91 114.94 114.73 2vur s ASN 47 Ca 0.08 0.54 -0.14 0.00 0.42 0.00 0.00 52.86 53.76 2vur s ASN 47 Cb -0.09 0.51 0.03 0.00 -1.45 0.00 0.00 41.25 40.25 2vur s ASN 47 CO -0.01 -0.19 1.14 -2.84 -3.72 0.00 0.00 177.10 171.48 2vur s PRO 48 N 1.70 2.38 -0.21 0.43 0.02 -1.26 -4.62 135.00 133.44 2vur s PRO 48 Ca -0.05 1.49 -0.35 0.00 0.02 0.00 0.00 61.00 62.11 2vur s PRO 48 Cb -0.11 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.40 2vur s PRO 48 CO -0.08 -1.59 1.97 2.41 -0.33 0.00 0.00 177.00 179.37 2vur n THR 49 N -2.79 0.40 -1.98 0.99 -1.04 -1.25 -4.94 114.28 103.67 2vur n THR 49 Ca 0.11 -0.16 -0.36 0.00 -2.04 0.00 0.00 64.05 61.60 2vur n THR 49 Cb 0.52 -1.73 0.04 0.00 -1.82 0.00 0.00 70.33 67.33 2vur n THR 49 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2vur s PRO 50 N 4.76 2.92 0.05 -2.82 0.04 -1.26 -4.59 135.00 134.09 2vur s PRO 50 Ca 0.99 1.85 -0.25 0.00 0.04 0.00 0.00 61.00 63.63 2vur s PRO 50 Cb -0.79 -1.92 -0.17 0.00 0.04 0.00 0.00 34.50 31.66 2vur s PRO 50 CO 0.53 -1.25 1.55 1.49 0.04 0.00 0.00 177.00 179.35 2vur h GLU 51 N 0.83 -0.14 -4.73 4.56 4.57 -1.86 -3.42 114.58 114.39 2vur h GLU 51 Ca -0.50 0.01 -0.58 0.00 -1.18 0.00 0.00 59.36 57.10 2vur h GLU 51 Cb 1.30 0.03 -0.34 0.00 -0.16 0.00 0.00 28.75 29.58 2vur h GLU 51 CO 0.55 0.05 -0.83 -0.80 -1.18 0.00 0.00 179.01 176.80 2vur s ASN 52 N -5.22 2.39 -0.06 1.04 0.01 -0.01 -5.03 114.94 108.06 2vur s ASN 52 Ca -0.14 -0.42 -0.02 0.00 -0.71 0.00 0.00 52.86 51.57 2vur s ASN 52 Cb 0.04 -1.07 0.04 0.00 0.41 0.00 0.00 41.25 40.67 2vur s ASN 52 CO 0.64 0.02 0.12 -0.22 -1.51 0.00 0.00 177.10 176.15 2vur s LEU 53 N 0.95 0.41 -0.12 0.60 0.20 -1.26 -2.41 118.68 117.05 2vur s LEU 53 Ca -0.08 0.23 0.02 0.00 0.69 0.00 0.00 54.13 54.99 2vur s LEU 53 Cb -0.15 0.18 0.01 0.00 -0.43 0.00 0.00 46.19 45.80 2vur s LEU 53 CO -0.01 -0.19 -0.17 -0.70 -0.29 0.00 0.00 176.35 174.99 2vur s GLU 54 N 1.70 2.43 -0.36 1.98 2.12 -0.69 -4.98 118.70 120.90 2vur s GLU 54 Ca -0.03 -0.63 -0.26 0.00 0.36 0.00 0.00 54.97 54.41 2vur s GLU 54 Cb -0.12 -2.06 0.02 0.00 0.26 0.00 0.00 34.13 32.23 2vur s GLU 54 CO -0.05 -0.08 0.96 0.08 -0.54 0.00 0.00 175.26 175.62 2vur s VAL 55 N 1.04 4.56 -0.23 3.70 1.01 -1.26 -0.85 120.40 128.36 2vur s VAL 55 Ca -0.05 1.29 0.13 0.00 0.00 0.00 0.00 61.98 63.35 2vur s VAL 55 Cb -0.15 -4.35 0.28 0.00 0.00 0.00 0.00 36.38 32.16 2vur s VAL 55 CO -0.03 -0.54 1.20 1.33 0.00 0.00 0.00 175.10 177.05 2vur n VAL 56 N 5.99 1.64 -3.92 2.92 0.24 0.11 -4.98 118.33 120.33 2vur n VAL 56 Ca 0.08 -1.69 0.01 0.00 -2.04 0.00 0.00 64.34 60.71 2vur n VAL 56 Cb 0.48 0.04 0.01 0.00 -1.47 0.00 0.00 33.84 32.90 2vur n VAL 56 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2vur n GLY 57 N -0.70 0.44 0.22 7.63 0.00 -1.24 -4.98 105.19 106.56 2vur n GLY 57 Ca 0.13 -0.93 0.12 0.00 0.00 0.00 0.00 46.02 45.34 2vur n GLY 57 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vur n ASP 58 N -0.59 1.06 0.00 1.61 8.00 -1.26 -4.43 116.55 120.95 2vur n ASP 58 Ca 0.02 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.66 2vur n ASP 58 Cb 0.27 0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2vur n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vur n GLY 59 N 1.39 -0.22 3.75 0.44 0.00 -1.26 -3.56 105.19 105.73 2vur n GLY 59 Ca 0.10 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.28 2vur n GLY 59 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vur s PHE 60 N -1.99 0.01 -0.11 1.61 -0.12 -1.01 -4.85 117.98 111.52 2vur s PHE 60 Ca 0.00 -0.43 -0.16 0.00 -0.05 0.00 0.00 56.93 56.30 2vur s PHE 60 Cb 0.00 0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 42.85 2vur s PHE 60 CO 0.00 -1.14 0.39 0.21 -0.05 0.00 0.00 175.22 174.63 2vur s LYS 61 N -3.95 4.20 -0.01 1.99 2.20 -1.26 -2.23 119.74 120.68 2vur s LYS 61 Ca 0.15 0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.75 2vur s LYS 61 Cb -0.04 -3.38 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 2vur s LYS 61 CO 0.07 0.31 1.03 0.42 -0.36 0.00 0.00 175.35 176.83 2vur s ILE 62 N 0.18 4.68 0.57 5.43 1.01 0.18 -4.91 121.20 128.34 2vur s ILE 62 Ca 0.22 1.93 -0.19 0.00 0.00 0.00 0.00 60.65 62.61 2vur s ILE 62 Cb -0.15 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 2vur s ILE 62 CO 0.08 0.12 1.16 0.42 0.00 0.00 0.00 174.94 176.72 2vur s THR 63 N 1.23 2.97 -0.59 2.92 -4.23 -1.26 -4.90 115.64 111.79 2vur s THR 63 Ca 0.53 0.60 0.23 0.00 -1.18 0.00 0.00 61.69 61.86 2vur s THR 63 Cb -0.22 -3.23 0.24 0.00 1.34 0.00 0.00 72.50 70.62 2vur s THR 63 CO 0.26 -0.14 1.69 -1.54 -0.54 0.00 0.00 174.62 174.36 2vur n SER 64 N -1.46 0.58 -4.06 3.99 3.41 -1.26 -4.29 113.62 110.53 2vur n SER 64 Ca 0.12 0.63 -0.27 0.00 -0.26 0.00 0.00 58.87 59.10 2vur n SER 64 Cb 0.50 -0.76 -0.17 0.00 -0.26 0.00 0.00 64.21 63.53 2vur n SER 64 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2vur s SER 65 N -4.09 2.14 0.33 4.04 0.15 -1.26 -0.25 113.70 114.76 2vur s SER 65 Ca 0.05 -0.37 0.08 0.00 0.70 0.00 0.00 55.95 56.41 2vur s SER 65 Cb 0.10 -0.98 -0.06 0.00 -1.71 0.00 0.00 66.02 63.37 2vur s SER 65 CO 0.40 0.05 -0.05 0.27 1.20 0.00 0.00 173.24 175.11 2vur s ILE 66 N 0.69 1.90 -0.24 6.45 -0.00 -0.45 -4.26 121.20 125.29 2vur s ILE 66 Ca -0.13 -2.13 -0.21 0.00 -0.00 0.00 0.00 60.65 58.17 2vur s ILE 66 Cb -0.16 -2.64 -0.02 0.00 -0.00 0.00 0.00 42.46 39.64 2vur s ILE 66 CO 0.03 -0.19 0.68 0.20 -0.00 0.00 0.00 174.94 175.66 2vur s ASN 67 N -3.55 6.67 -0.27 4.36 0.01 1.00 -0.35 114.94 122.80 2vur s ASN 67 Ca 0.32 0.82 -0.09 0.00 -0.71 0.00 0.00 52.86 53.20 2vur s ASN 67 Cb 0.05 -2.36 -0.03 0.00 0.41 0.00 0.00 41.25 39.31 2vur s ASN 67 CO 0.15 -0.38 0.13 -0.22 -1.51 0.00 0.00 177.10 175.28 2vur s LEU 68 N 2.42 3.79 -0.08 0.60 2.96 -1.26 0.27 118.68 127.38 2vur s LEU 68 Ca 0.29 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 2vur s LEU 68 Cb -0.16 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.53 2vur s LEU 68 CO 0.09 -0.07 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.24 2vur s VAL 69 N 1.68 1.20 0.00 1.68 1.01 -0.00 -4.70 120.40 121.27 2vur s VAL 69 Ca 0.06 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2vur s VAL 69 Cb -0.16 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2vur s VAL 69 CO 0.07 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2vur n GLY 70 N 3.95 0.64 0.30 4.51 0.00 -1.26 -1.16 105.19 112.16 2vur n GLY 70 Ca -0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.88 2vur n GLY 70 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2vur h GLU 71 N 2.30 0.00 0.00 1.61 4.11 -1.84 -0.57 114.58 120.19 2vur h GLU 71 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 2vur h GLU 71 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2vur h GLU 71 CO 0.00 0.00 -2.00 0.39 0.07 0.00 0.00 179.01 177.47 2vur n GLU 72 N -2.54 0.81 -0.04 1.06 1.02 -1.26 -4.57 120.64 115.11 2vur n GLU 72 Ca -0.01 -0.11 -0.06 0.00 -0.02 0.00 0.00 57.16 56.96 2vur n GLU 72 Cb 0.62 -1.45 -0.14 0.00 -0.02 0.00 0.00 31.44 30.45 2vur n GLU 72 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2vur n GLU 73 N -2.36 0.65 -2.09 3.49 -0.58 -0.31 -4.99 120.64 114.46 2vur n GLU 73 Ca -0.14 0.13 -0.32 0.00 -0.42 0.00 0.00 57.16 56.41 2vur n GLU 73 Cb 0.73 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 2vur n GLU 73 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2vur s ALA 74 N -2.67 2.87 -0.13 0.62 0.00 -0.66 -4.80 121.76 116.99 2vur s ALA 74 Ca -0.07 0.24 -0.40 0.00 0.00 0.00 0.00 51.96 51.74 2vur s ALA 74 Cb 0.08 -3.17 -0.17 0.00 0.00 0.00 0.00 23.12 19.85 2vur s ALA 74 CO 0.83 -0.66 1.49 -3.47 0.00 0.00 0.00 175.76 173.94 2vur n ASP 75 N -2.08 1.64 -0.30 0.00 -0.08 -1.26 -4.85 116.55 109.61 2vur n ASP 75 Ca 0.08 1.12 -0.02 0.00 -1.51 0.00 0.00 54.79 54.45 2vur n ASP 75 Cb 0.53 -1.10 0.10 0.00 2.34 0.00 0.00 41.12 43.00 2vur n ASP 75 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2vur h GLU 76 N 5.38 1.01 -0.24 -0.67 4.81 -1.94 -1.40 114.58 121.54 2vur h GLU 76 Ca -0.47 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 58.60 2vur h GLU 76 Cb 1.35 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2vur h GLU 76 CO 0.85 0.67 -0.28 -0.91 -0.73 0.00 0.00 179.01 178.61 2vur h ASN 77 N 1.04 0.47 -0.24 1.04 -0.26 -1.90 0.11 115.58 115.85 2vur h ASN 77 Ca 0.33 -0.17 -0.04 0.00 -0.56 0.00 0.00 56.30 55.86 2vur h ASN 77 Cb -0.01 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.12 2vur h ASN 77 CO -0.11 0.74 -0.01 0.00 -1.06 0.00 0.00 177.43 176.99 2vur h ALA 78 N 1.30 0.33 -0.61 -0.83 0.00 -1.78 -2.10 119.26 115.56 2vur h ALA 78 Ca 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2vur h ALA 78 Cb 0.70 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2vur h ALA 78 CO 0.05 0.07 0.34 0.28 0.00 0.00 0.00 179.25 179.99 2vur h VAL 79 N 0.20 1.19 -0.75 0.00 2.07 -0.97 -0.12 116.25 117.87 2vur h VAL 79 Ca 0.07 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 2vur h VAL 79 Cb 0.43 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2vur h VAL 79 CO 0.01 0.21 0.24 0.78 0.02 0.00 0.00 177.57 178.84 2vur h ASN 80 N 0.83 1.09 -0.26 0.57 2.35 -0.77 0.31 115.58 119.69 2vur h ASN 80 Ca 0.21 -0.20 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 2vur h ASN 80 Cb 0.03 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 2vur h ASN 80 CO -0.04 1.01 -0.10 0.00 -1.65 0.00 0.00 177.43 176.65 2vur h ALA 81 N 1.13 1.12 0.36 -0.83 0.00 -1.09 -1.02 119.26 118.92 2vur h ALA 81 Ca 0.24 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2vur h ALA 81 Cb 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2vur h ALA 81 CO -0.01 0.55 -0.17 1.25 0.00 0.00 0.00 179.25 180.87 2vur h LEU 82 N 0.60 -0.41 -1.73 0.00 5.85 -0.31 -2.28 115.31 117.04 2vur h LEU 82 Ca 0.11 -0.13 0.22 0.00 0.84 0.00 0.00 57.88 58.91 2vur h LEU 82 Cb 0.53 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 2vur h LEU 82 CO 0.03 -0.07 0.59 0.03 -0.34 0.00 0.00 178.44 178.69 2vur h ARG 83 N -0.77 0.22 -0.10 1.25 3.08 -0.33 -0.88 114.38 116.85 2vur h ARG 83 Ca -0.05 -0.01 -0.23 0.00 0.07 0.00 0.00 59.98 59.76 2vur h ARG 83 Cb 0.52 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.53 2vur h ARG 83 CO 0.08 0.14 -0.82 1.49 -1.07 0.00 0.00 179.97 179.79 2vur h GLU 84 N 0.23 0.74 -0.14 0.04 4.81 -1.03 -2.11 114.58 117.10 2vur h GLU 84 Ca 0.43 -0.66 -0.15 0.00 -0.13 0.00 0.00 59.36 58.86 2vur h GLU 84 Cb 1.35 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.88 2vur h GLU 84 CO -0.10 1.26 -0.48 0.35 -0.73 0.00 0.00 179.01 179.30 2vur h PHE 85 N 0.44 0.77 0.30 0.92 3.57 -0.80 -2.52 116.94 119.63 2vur h PHE 85 Ca -0.07 -0.31 -0.00 0.00 3.53 0.00 0.00 57.97 61.11 2vur h PHE 85 Cb 1.46 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 2vur h PHE 85 CO 0.10 1.09 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.95 2vur h LEU 86 N 0.22 -0.65 -0.49 0.59 4.07 -1.23 -0.01 115.31 117.80 2vur h LEU 86 Ca -0.02 0.05 0.10 0.00 0.08 0.00 0.00 57.88 58.09 2vur h LEU 86 Cb 1.11 0.21 -0.10 0.00 1.08 0.00 0.00 40.66 42.96 2vur h LEU 86 CO 0.10 -0.37 -0.27 0.74 -1.08 0.00 0.00 178.44 177.56 2vur h THR 87 N -0.56 0.27 0.00 0.22 2.02 -1.46 -0.89 112.91 112.51 2vur h THR 87 Ca -0.02 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 2vur h THR 87 Cb 0.50 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2vur h THR 87 CO -0.02 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.68 2vur h ALA 88 N 1.06 1.51 -0.51 6.16 0.00 -1.02 -2.64 119.26 123.82 2vur h ALA 88 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2vur h ALA 88 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2vur h ALA 88 CO -0.59 0.24 0.00 0.09 0.00 0.00 0.00 179.25 179.00 2vur n ASN 89 N -4.05 5.35 -2.63 0.00 3.02 -0.06 -4.94 115.26 111.94 2vur n ASN 89 Ca -0.02 -2.96 -0.19 0.00 -0.03 0.00 0.00 54.58 51.38 2vur n ASN 89 Cb 0.27 -0.66 0.04 0.00 -0.61 0.00 0.00 39.78 38.82 2vur n ASN 89 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2vur n ASN 90 N 0.37 -5.40 -4.35 6.41 3.02 -0.99 -5.00 115.26 109.32 2vur n ASN 90 Ca 0.26 -0.28 -0.34 0.00 -0.03 0.00 0.00 54.58 54.19 2vur n ASN 90 Cb 1.14 -4.19 -0.14 0.00 -0.61 0.00 0.00 39.78 35.98 2vur n ASN 90 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2vur s ILE 91 N -3.11 3.29 0.27 2.41 1.01 -0.39 -4.88 121.20 119.80 2vur s ILE 91 Ca 0.30 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.41 2vur s ILE 91 Cb -0.13 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 2vur s ILE 91 CO 0.37 0.47 0.46 -0.70 0.00 0.00 0.00 174.94 175.54 2vur s GLU 92 N 0.94 3.50 -0.27 2.79 2.56 0.66 -4.02 118.70 124.86 2vur s GLU 92 Ca -0.01 -0.39 -0.10 0.00 0.00 0.00 0.00 54.97 54.47 2vur s GLU 92 Cb -0.15 -2.77 -0.04 0.00 2.00 0.00 0.00 34.13 33.17 2vur s GLU 92 CO 0.00 0.30 0.14 0.42 -0.56 0.00 0.00 175.26 175.56 2vur s ILE 93 N -2.08 4.93 0.07 -3.70 1.01 -1.26 -1.34 121.20 118.83 2vur s ILE 93 Ca 0.39 0.04 -0.32 0.00 0.00 0.00 0.00 60.65 60.76 2vur s ILE 93 Cb -0.10 -3.33 -0.11 0.00 0.01 0.00 0.00 42.46 38.93 2vur s ILE 93 CO 0.32 0.29 1.84 0.59 0.00 0.00 0.00 174.94 177.97 2vur n ASN 94 N 4.98 3.83 0.23 3.58 3.02 0.53 -4.87 115.26 126.56 2vur n ASN 94 Ca -0.15 0.98 0.15 0.00 -0.03 0.00 0.00 54.58 55.53 2vur n ASN 94 Cb 0.52 -1.49 0.51 0.00 -0.61 0.00 0.00 39.78 38.71 2vur n ASN 94 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2vur h SER 95 N 8.65 0.00 -4.70 6.41 4.64 -1.97 -3.44 113.55 123.14 2vur h SER 95 Ca -0.47 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.69 2vur h SER 95 Cb 1.24 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.11 2vur h SER 95 CO 0.94 0.00 -0.54 -1.83 -0.87 0.00 0.00 176.83 174.53 2vur s GLU 96 N -3.47 0.38 0.09 4.77 -1.05 -1.26 -5.14 118.70 113.03 2vur s GLU 96 Ca 0.04 -0.30 -0.33 0.00 -0.15 0.00 0.00 54.97 54.24 2vur s GLU 96 Cb 0.08 0.16 -0.12 0.00 -0.44 0.00 0.00 34.13 33.81 2vur s GLU 96 CO 0.56 -0.08 1.77 -1.71 0.95 0.00 0.00 175.26 176.75 2vur n ASN 97 N 1.83 3.66 -2.80 0.83 2.85 -1.26 -4.76 115.26 115.61 2vur n ASN 97 Ca -0.21 1.01 -0.04 0.00 -0.11 0.00 0.00 54.58 55.23 2vur n ASN 97 Cb 0.56 -1.48 0.01 0.00 1.24 0.00 0.00 39.78 40.11 2vur n ASN 97 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2vur n ASP 98 N 5.20 -7.95 -2.28 1.20 2.03 -1.26 -4.90 116.55 108.59 2vur n ASP 98 Ca 0.19 0.98 -0.19 0.00 0.52 0.00 0.00 54.79 56.28 2vur n ASP 98 Cb 0.33 -5.26 -0.12 0.00 -0.72 0.00 0.00 41.12 35.35 2vur n ASP 98 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2vur n PRO 99 N 0.23 2.32 -4.06 -0.67 -0.02 -1.26 -4.73 135.00 126.80 2vur n PRO 99 Ca 0.06 -1.53 -0.32 0.00 -2.02 0.00 0.00 63.50 59.69 2vur n PRO 99 Cb 0.24 -2.12 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 2vur n PRO 99 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2vur n ASN 100 N 2.13 -0.81 -4.76 2.55 5.03 -1.26 -5.01 115.26 113.12 2vur n ASN 100 Ca 0.48 -1.12 -0.30 0.00 0.87 0.00 0.00 54.58 54.51 2vur n ASN 100 Cb 0.75 -1.37 0.12 0.00 -1.02 0.00 0.00 39.78 38.26 2vur n ASN 100 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2vur s SER 101 N -4.02 3.80 0.50 6.41 0.01 -1.26 -5.03 113.70 114.11 2vur s SER 101 Ca 0.16 1.31 -0.23 0.00 1.31 0.00 0.00 55.95 58.50 2vur s SER 101 Cb -0.09 -2.00 -0.06 0.00 0.21 0.00 0.00 66.02 64.08 2vur s SER 101 CO 0.86 -2.41 1.34 -0.89 0.41 0.00 0.00 173.24 172.55 2vur s THR 102 N -3.07 2.28 -0.17 1.44 2.01 -1.26 -4.76 115.64 112.11 2vur s THR 102 Ca 0.63 0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.82 2vur s THR 102 Cb -0.16 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 2vur s THR 102 CO 0.55 0.01 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.53 2vur s THR 103 N -1.31 3.46 -0.23 -0.82 2.01 -0.11 -0.00 115.64 118.65 2vur s THR 103 Ca 0.67 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 62.13 2vur s THR 103 Cb -0.39 -2.52 -0.00 0.00 0.01 0.00 0.00 72.50 69.60 2vur s THR 103 CO 0.48 0.48 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.62 2vur s LEU 104 N 0.71 2.97 -0.12 4.42 2.96 0.14 -0.98 118.68 128.78 2vur s LEU 104 Ca -0.03 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 2vur s LEU 104 Cb -0.15 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 2vur s LEU 104 CO 0.02 -0.05 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.29 2vur s ILE 105 N 1.45 3.50 0.01 6.68 1.01 -0.21 -0.82 121.20 132.82 2vur s ILE 105 Ca 0.05 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.19 2vur s ILE 105 Cb -0.15 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 2vur s ILE 105 CO -0.04 0.54 -0.04 -0.51 0.00 0.00 0.00 174.94 174.89 2vur s ILE 106 N -0.02 0.31 -3.23 2.92 2.07 -0.31 -0.77 121.20 122.16 2vur s ILE 106 Ca -0.01 -0.36 0.00 0.00 -1.41 0.00 0.00 60.65 58.87 2vur s ILE 106 Cb -0.14 -0.30 0.00 0.00 0.13 0.00 0.00 42.46 42.15 2vur s ILE 106 CO 0.03 -0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 2vur n GLY 107 N 2.63 -1.61 3.75 1.50 0.00 -0.70 -4.25 105.19 106.51 2vur n GLY 107 Ca -0.15 -1.12 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 2vur n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vur s GLU 108 N -1.50 2.27 0.56 1.61 8.01 -1.26 -1.71 118.70 126.68 2vur s GLU 108 Ca 0.00 -1.78 -0.20 0.00 0.01 0.00 0.00 54.97 52.99 2vur s GLU 108 Cb 0.00 -2.04 -0.04 0.00 -4.31 0.00 0.00 34.13 27.74 2vur s GLU 108 CO 0.00 -0.10 1.26 0.14 0.01 0.00 0.00 175.26 176.57 2vur s VAL 109 N -2.57 2.45 0.00 2.63 -7.23 -0.54 -2.27 120.40 112.87 2vur s VAL 109 Ca 0.41 0.31 0.00 0.00 -1.81 0.00 0.00 61.98 60.89 2vur s VAL 109 Cb 0.02 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.82 2vur s VAL 109 CO 0.23 -0.03 0.00 -0.67 -0.31 0.00 0.00 175.10 174.32 2vur n ASP 110 N -1.26 0.00 -4.69 4.85 4.64 -1.26 -4.95 116.55 113.88 2vur n ASP 110 Ca 0.12 0.00 -0.43 0.00 -1.38 0.00 0.00 54.79 53.09 2vur n ASP 110 Cb 0.48 -1.37 -0.02 0.00 -1.04 0.00 0.00 41.12 39.17 2vur n ASP 110 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2vur n ASP 111 N 0.00 2.93 -4.33 1.67 10.43 -0.96 -4.87 116.55 121.42 2vur n ASP 111 Ca 0.00 1.17 -0.42 0.00 2.57 0.00 0.00 54.79 58.10 2vur n ASP 111 Cb 0.00 -1.47 -0.00 0.00 1.84 0.00 0.00 41.12 41.48 2vur n ASP 111 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2vur n ASP 112 N 1.68 4.54 -3.59 -2.24 2.03 -1.26 -4.83 116.55 112.87 2vur n ASP 112 Ca 0.09 -2.89 -0.28 0.00 0.52 0.00 0.00 54.79 52.23 2vur n ASP 112 Cb 0.34 -1.71 -0.16 0.00 -0.72 0.00 0.00 41.12 38.87 2vur n ASP 112 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2vur s ILE 113 N 4.21 0.08 0.28 5.18 1.01 -1.26 -5.01 121.20 125.69 2vur s ILE 113 Ca 0.53 -0.69 0.10 0.00 0.00 0.00 0.00 60.65 60.59 2vur s ILE 113 Cb 0.07 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.56 2vur s ILE 113 CO 0.04 -0.59 1.64 -0.65 0.00 0.00 0.00 174.94 175.38 2vur h PRO 114 N 8.36 0.03 -1.00 2.79 0.11 -2.00 -3.17 132.00 137.12 2vur h PRO 114 Ca -0.18 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.93 2vur h PRO 114 Cb 1.05 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 2vur h PRO 114 CO 0.40 0.60 0.66 0.93 -0.21 0.00 0.00 178.00 180.38 2vur h GLU 115 N 0.02 1.29 -0.16 1.05 3.07 -2.00 -1.80 114.58 116.06 2vur h GLU 115 Ca -0.01 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 2vur h GLU 115 Cb 1.03 -0.29 -0.01 0.00 -0.84 0.00 0.00 28.75 28.64 2vur h GLU 115 CO 0.08 0.85 0.06 1.25 -1.40 0.00 0.00 179.01 179.85 2vur h LEU 116 N 1.33 0.22 -0.59 1.33 5.85 -1.95 -2.04 115.31 119.46 2vur h LEU 116 Ca 0.38 -0.19 0.12 0.00 0.84 0.00 0.00 57.88 59.03 2vur h LEU 116 Cb -0.11 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 40.77 2vur h LEU 116 CO -0.09 0.35 0.06 0.44 -0.34 0.00 0.00 178.44 178.86 2vur h ASP 117 N 0.09 -0.14 -0.33 1.25 3.32 -1.45 -2.39 116.42 116.78 2vur h ASP 117 Ca 0.05 0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 2vur h ASP 117 Cb 0.20 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2vur h ASP 117 CO -0.00 -0.05 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.06 2vur h GLU 118 N 0.18 0.63 -0.14 3.56 4.39 -1.18 -2.96 114.58 119.06 2vur h GLU 118 Ca 0.31 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 2vur h GLU 118 Cb 0.48 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2vur h GLU 118 CO -0.45 0.80 -0.37 0.00 -1.16 0.00 0.00 179.01 177.83 2vur h ALA 119 N 0.81 1.12 0.00 3.43 0.00 -1.20 -2.92 119.26 120.50 2vur h ALA 119 Ca 0.08 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 2vur h ALA 119 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2vur h ALA 119 CO 0.03 0.57 -0.51 -0.07 0.00 0.00 0.00 179.25 179.27 2vur h LEU 120 N 0.25 0.00 0.00 0.00 3.38 -1.43 -3.46 115.31 114.04 2vur h LEU 120 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2vur h LEU 120 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2vur h LEU 120 CO 0.06 0.51 0.00 0.59 0.09 0.00 0.00 178.44 179.69 2vur n ASN 121 N -3.86 0.00 0.00 -0.43 5.03 -1.10 -2.64 115.26 112.26 2vur n ASN 121 Ca -0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.44 2vur n ASN 121 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 2vur n ASN 121 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2vur n GLY 122 N 0.19 2.05 3.54 7.41 0.00 -1.26 -5.06 105.19 112.05 2vur n GLY 122 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2vur n GLY 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vur s THR 123 N -2.25 3.22 0.03 2.61 -4.23 -1.08 -5.13 115.64 108.82 2vur s THR 123 Ca 0.00 -1.11 -0.27 0.00 -1.18 0.00 0.00 61.69 59.13 2vur s THR 123 Cb 0.00 -2.43 0.07 0.00 1.34 0.00 0.00 72.50 71.48 2vur s THR 123 CO 0.00 0.27 0.63 0.28 -0.54 0.00 0.00 174.62 175.26 2vur s THR 124 N -1.05 0.00 -2.62 3.99 -1.32 -1.26 -4.82 115.64 108.56 2vur s THR 124 Ca 0.18 -0.03 0.22 0.00 -1.21 0.00 0.00 61.69 60.84 2vur s THR 124 Cb -0.11 -0.99 0.21 0.00 -1.51 0.00 0.00 72.50 70.10 2vur s THR 124 CO 0.09 -0.02 1.21 0.00 -2.21 0.00 0.00 174.62 173.69 2vur n ALA 125 N 0.41 2.45 -0.35 11.08 0.00 -1.26 -4.61 120.51 128.23 2vur n ALA 125 Ca -0.18 -0.73 0.02 0.00 0.00 0.00 0.00 53.44 52.55 2vur n ALA 125 Cb 0.60 -0.74 0.17 0.00 0.00 0.00 0.00 19.45 19.48 2vur n ALA 125 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2vur h GLU 126 N 4.21 1.07 -0.70 0.00 4.11 -1.95 -2.29 114.58 119.03 2vur h GLU 126 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.37 2vur h GLU 126 Cb 0.91 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2vur h GLU 126 CO 0.00 0.71 0.00 0.27 0.07 0.00 0.00 179.01 180.06 2vur n ASN 127 N -4.55 4.26 -4.90 3.06 6.94 -1.26 -4.97 115.26 113.84 2vur n ASN 127 Ca 0.15 -2.63 -0.27 0.00 -0.02 0.00 0.00 54.58 51.81 2vur n ASN 127 Cb 0.20 -0.62 -0.04 0.00 -2.36 0.00 0.00 39.78 36.96 2vur n ASN 127 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2vur s LEU 128 N -1.89 4.21 0.93 -4.53 1.43 -0.86 -5.10 118.68 112.87 2vur s LEU 128 Ca 0.38 0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.47 2vur s LEU 128 Cb 0.29 -2.80 0.15 0.00 0.03 0.00 0.00 46.19 43.86 2vur s LEU 128 CO 0.11 0.07 1.09 -1.59 0.23 0.00 0.00 176.35 176.27 2vur s LYS 129 N -3.08 0.94 0.31 1.70 -2.85 -1.26 -4.85 119.74 110.65 2vur s LYS 129 Ca 0.34 0.70 -0.17 0.00 -1.00 0.00 0.00 55.97 55.83 2vur s LYS 129 Cb -0.11 -1.78 -0.13 0.00 -2.06 0.00 0.00 37.83 33.75 2vur s LYS 129 CO 0.27 -2.43 0.09 0.39 0.10 0.00 0.00 175.35 173.77 2vur n GLU 130 N -3.99 0.00 -0.74 1.78 -0.58 -1.26 -1.42 120.64 114.43 2vur n GLU 130 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2vur n GLU 130 Cb 0.56 -0.80 0.00 0.00 -0.57 0.00 0.00 31.44 30.63 2vur n GLU 130 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2vur n GLU 131 N 1.05 -0.04 -1.92 3.49 1.02 -1.26 -4.63 120.64 118.36 2vur n GLU 131 Ca 0.09 0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.94 2vur n GLU 131 Cb 0.31 -3.61 0.03 0.00 -0.02 0.00 0.00 31.44 28.15 2vur n GLU 131 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2vur s GLY 132 N -2.00 1.63 0.25 0.62 0.00 -0.51 -3.93 107.32 103.38 2vur s GLY 132 Ca 0.00 -0.28 -0.21 0.00 0.00 0.00 0.00 44.72 44.23 2vur s GLY 132 CO 0.00 0.05 0.66 -2.52 0.00 0.00 0.00 173.10 171.29 2vur s TYR 133 N -3.27 -0.22 -0.04 1.90 -0.85 -0.21 -0.46 117.35 114.20 2vur s TYR 133 Ca 0.57 -0.17 0.05 0.00 -0.52 0.00 0.00 57.07 57.00 2vur s TYR 133 Cb -0.11 0.62 -0.01 0.00 0.38 0.00 0.00 41.96 42.84 2vur s TYR 133 CO 0.52 -1.12 -0.20 0.00 -1.52 0.00 0.00 175.55 173.23 2vur s ALA 134 N -3.89 1.77 -0.08 9.51 0.00 0.25 -1.42 121.76 127.91 2vur s ALA 134 Ca 0.10 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.22 2vur s ALA 134 Cb -0.04 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.56 2vur s ALA 134 CO 0.02 0.36 -0.09 -1.17 0.00 0.00 0.00 175.76 174.88 2vur s LEU 135 N -0.16 1.44 -0.14 0.00 0.20 -0.22 -0.95 118.68 118.86 2vur s LEU 135 Ca -0.01 -0.27 -0.00 0.00 0.69 0.00 0.00 54.13 54.54 2vur s LEU 135 Cb -0.11 -0.77 0.03 0.00 -0.43 0.00 0.00 46.19 44.91 2vur s LEU 135 CO 0.02 -0.03 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.27 2vur s VAL 136 N 1.04 1.18 -0.18 1.68 1.01 -0.40 0.13 120.40 124.87 2vur s VAL 136 Ca -0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 2vur s VAL 136 Cb -0.15 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 2vur s VAL 136 CO -0.01 0.31 -0.02 -0.94 0.00 0.00 0.00 175.10 174.45 2vur s SER 137 N 1.63 4.80 -0.29 3.32 1.04 -0.63 0.16 113.70 123.73 2vur s SER 137 Ca 0.04 -0.17 -0.14 0.00 0.48 0.00 0.00 55.95 56.15 2vur s SER 137 Cb -0.13 -1.80 0.14 0.00 0.10 0.00 0.00 66.02 64.32 2vur s SER 137 CO -0.09 0.12 0.88 0.21 0.98 0.00 0.00 173.24 175.34 2vur s ASN 138 N 0.68 -0.72 -1.16 7.02 2.47 -0.13 -2.50 114.94 120.61 2vur s ASN 138 Ca -0.01 1.05 -0.24 0.00 0.42 0.00 0.00 52.86 54.08 2vur s ASN 138 Cb -0.14 1.62 0.00 0.00 -1.45 0.00 0.00 41.25 41.28 2vur s ASN 138 CO 0.02 -0.16 0.77 -0.67 -3.72 0.00 0.00 177.10 173.34 2vur n ASP 139 N 4.60 -5.02 -0.05 -4.21 2.03 -1.26 -1.95 116.55 110.70 2vur n ASP 139 Ca -0.14 -1.08 -0.01 0.00 0.52 0.00 0.00 54.79 54.08 2vur n ASP 139 Cb 0.54 -3.00 -0.00 0.00 -0.72 0.00 0.00 41.12 37.94 2vur n ASP 139 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vur n GLY 140 N -1.78 0.47 2.88 0.27 0.00 -1.26 -5.03 105.19 100.75 2vur n GLY 140 Ca -0.10 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 2vur n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vur s LYS 141 N -1.08 0.05 -0.13 1.61 1.02 -0.82 -0.93 119.74 119.45 2vur s LYS 141 Ca 0.00 -0.07 0.01 0.00 0.02 0.00 0.00 55.97 55.93 2vur s LYS 141 Cb 0.00 -0.00 0.02 0.00 -0.52 0.00 0.00 37.83 37.32 2vur s LYS 141 CO 0.00 -0.00 -0.15 0.42 -0.92 0.00 0.00 175.35 174.70 2vur s ILE 142 N -0.16 1.58 -0.17 2.17 1.01 -0.15 -0.96 121.20 124.53 2vur s ILE 142 Ca -0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 2vur s ILE 142 Cb -0.01 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 2vur s ILE 142 CO -0.00 0.46 -0.03 0.00 0.00 0.00 0.00 174.94 175.37 2vur s ALA 143 N 1.24 2.98 -0.26 9.38 0.00 0.12 -1.04 121.76 134.18 2vur s ALA 143 Ca -0.00 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2vur s ALA 143 Cb -0.14 -1.62 0.07 0.00 0.00 0.00 0.00 23.12 21.43 2vur s ALA 143 CO -0.06 0.06 -0.05 0.42 0.00 0.00 0.00 175.76 176.12 2vur s ILE 144 N 0.64 1.78 -0.19 0.00 1.01 0.05 -1.27 121.20 123.22 2vur s ILE 144 Ca -0.02 -1.48 0.01 0.00 0.00 0.00 0.00 60.65 59.16 2vur s ILE 144 Cb -0.14 -2.04 0.04 0.00 0.01 0.00 0.00 42.46 40.33 2vur s ILE 144 CO 0.02 -0.16 -0.12 -0.70 0.00 0.00 0.00 174.94 173.98 2vur s GLU 145 N 1.26 2.21 0.21 2.79 2.12 -0.12 -1.71 118.70 125.46 2vur s GLU 145 Ca -0.04 -0.80 -0.01 0.00 0.36 0.00 0.00 54.97 54.47 2vur s GLU 145 Cb -0.19 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 2vur s GLU 145 CO -0.07 -0.37 0.41 0.20 -0.54 0.00 0.00 175.26 174.90 2vur s GLY 146 N 1.39 1.80 0.31 -1.50 0.00 -0.69 0.86 107.32 109.49 2vur s GLY 146 Ca 0.00 -0.79 0.11 0.00 0.00 0.00 0.00 44.72 44.05 2vur s GLY 146 CO -0.09 -0.74 1.70 1.70 0.00 0.00 0.00 173.10 175.67 2vur h LYS 147 N 1.95 0.00 -4.08 2.90 1.63 -1.00 -1.44 116.57 116.52 2vur h LYS 147 Ca -0.48 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.10 2vur h LYS 147 Cb 1.19 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.73 2vur h LYS 147 CO 0.68 0.51 -0.24 0.16 -3.45 0.00 0.00 179.45 177.11 2vur s ASP 148 N -6.88 0.55 0.39 4.20 1.47 -1.26 -4.50 116.67 110.64 2vur s ASP 148 Ca -0.02 -1.33 0.17 0.00 1.18 0.00 0.00 52.55 52.55 2vur s ASP 148 Cb 0.13 0.60 1.05 0.00 -0.34 0.00 0.00 42.92 44.36 2vur s ASP 148 CO 0.75 -1.18 1.78 1.23 0.68 0.00 0.00 175.17 178.42 2vur h GLY 149 N 2.22 1.27 0.98 2.12 0.00 -1.96 0.72 103.07 108.42 2vur h GLY 149 Ca -0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 2vur h GLY 149 CO 0.40 -0.12 0.24 -0.55 0.00 0.00 0.00 176.54 176.51 2vur h ASP 150 N 0.44 0.53 -0.56 0.19 3.32 -1.95 -2.21 116.42 116.19 2vur h ASP 150 Ca 0.58 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.50 2vur h ASP 150 Cb 1.39 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 2vur h ASP 150 CO -0.30 0.46 0.16 1.23 -1.72 0.00 0.00 179.24 179.07 2vur h GLY 151 N 0.56 0.95 0.57 2.75 0.00 -1.04 -1.14 103.07 105.71 2vur h GLY 151 Ca 0.15 -0.57 0.06 0.00 0.00 0.00 0.00 47.33 46.97 2vur h GLY 151 CO -0.03 0.54 0.11 -0.84 0.00 0.00 0.00 176.54 176.32 2vur h THR 152 N 0.79 0.83 -0.90 4.70 2.02 -1.18 -0.41 112.91 118.75 2vur h THR 152 Ca 0.18 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.27 2vur h THR 152 Cb 0.31 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 2vur h THR 152 CO -0.00 0.05 0.58 0.15 0.37 0.00 0.00 175.52 176.66 2vur h PHE 153 N 0.26 1.16 -0.08 3.16 3.57 -1.05 -2.15 116.94 121.81 2vur h PHE 153 Ca 0.19 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.55 2vur h PHE 153 Cb 0.21 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2vur h PHE 153 CO -0.17 0.74 -0.66 1.88 -2.23 0.00 0.00 178.31 177.87 2vur h TYR 154 N 1.23 0.45 -0.97 0.41 0.05 -0.78 -2.44 116.97 114.93 2vur h TYR 154 Ca 0.33 -0.19 0.02 0.00 0.05 0.00 0.00 58.73 58.95 2vur h TYR 154 Cb -0.11 -0.07 -0.05 0.00 1.01 0.00 0.00 36.73 37.50 2vur h TYR 154 CO 0.00 0.90 0.64 0.78 -1.05 0.00 0.00 178.16 179.43 2vur h GLY 155 N 1.37 1.38 1.51 3.88 0.00 -0.69 -1.52 103.07 109.01 2vur h GLY 155 Ca -0.02 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 2vur h GLY 155 CO 0.11 0.45 0.04 -2.08 0.00 0.00 0.00 176.54 175.07 2vur h VAL 156 N 1.27 1.20 -0.45 4.60 2.07 -1.19 -0.68 116.25 123.07 2vur h VAL 156 Ca 0.37 -0.78 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 2vur h VAL 156 Cb -0.08 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2vur h VAL 156 CO -0.10 0.27 -0.06 1.56 0.02 0.00 0.00 177.57 179.26 2vur h GLN 157 N 0.59 0.83 -0.39 1.57 1.08 -0.87 -1.33 115.11 116.60 2vur h GLN 157 Ca 0.13 -0.30 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 2vur h GLN 157 Cb 0.31 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 2vur h GLN 157 CO 0.01 0.92 0.12 1.15 -0.95 0.00 0.00 178.83 180.07 2vur h THR 158 N 0.67 1.22 -0.51 -0.54 2.02 -1.12 -2.46 112.91 112.19 2vur h THR 158 Ca 0.12 -0.73 0.10 0.00 0.77 0.00 0.00 66.41 66.67 2vur h THR 158 Cb 0.58 0.95 -0.09 0.00 -1.74 0.00 0.00 68.15 67.85 2vur h THR 158 CO 0.03 0.25 -0.06 0.15 0.37 0.00 0.00 175.52 176.27 2vur h PHE 159 N 0.49 -0.14 -0.14 3.16 3.57 -1.01 0.51 116.94 123.37 2vur h PHE 159 Ca 0.13 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 2vur h PHE 159 Cb 0.27 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2vur h PHE 159 CO 0.01 -0.17 -0.01 0.87 -2.23 0.00 0.00 178.31 176.78 2vur h LYS 160 N 0.06 0.20 0.00 1.11 1.57 -1.08 -1.66 116.57 116.77 2vur h LYS 160 Ca 0.25 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.86 2vur h LYS 160 Cb 0.39 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2vur h LYS 160 CO -0.47 0.24 -0.72 1.96 -0.57 0.00 0.00 179.45 179.88 2vur h GLN 161 N 0.20 0.00 -0.00 3.15 4.20 -0.75 -3.33 115.11 118.59 2vur h GLN 161 Ca 0.05 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 2vur h GLN 161 Cb 0.16 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2vur h GLN 161 CO 0.00 0.69 -0.67 -0.07 -0.67 0.00 0.00 178.83 178.12 2vur h LEU 162 N 0.00 0.02 -9.33 1.46 3.38 0.01 -3.43 115.31 107.41 2vur h LEU 162 Ca -0.01 -0.01 -0.55 0.00 0.09 0.00 0.00 57.88 57.39 2vur h LEU 162 Cb 1.54 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.25 2vur h LEU 162 CO 0.09 0.68 0.40 -0.69 0.09 0.00 0.00 178.44 179.01 2vur s VAL 163 N -3.50 4.86 -0.12 1.22 1.01 -1.05 -4.41 120.40 118.41 2vur s VAL 163 Ca -0.01 1.94 -0.03 0.00 0.00 0.00 0.00 61.98 63.88 2vur s VAL 163 Cb 0.12 -4.27 0.05 0.00 0.00 0.00 0.00 36.38 32.28 2vur s VAL 163 CO 0.77 0.11 0.06 -0.75 0.00 0.00 0.00 175.10 175.29 2vur s LYS 164 N 1.41 0.20 -1.46 2.72 2.36 -0.23 -4.83 119.74 119.92 2vur s LYS 164 Ca 0.48 0.04 -0.04 0.00 -2.55 0.00 0.00 55.97 53.90 2vur s LYS 164 Cb -0.19 -1.31 0.03 0.00 -1.05 0.00 0.00 37.83 35.31 2vur s LYS 164 CO 0.22 -0.50 0.55 0.39 1.55 0.00 0.00 175.35 177.56 2vur n GLU 165 N 5.23 -3.60 -1.43 4.03 1.02 -1.26 -1.55 120.64 123.08 2vur n GLU 165 Ca -0.06 0.43 -0.15 0.00 -0.02 0.00 0.00 57.16 57.36 2vur n GLU 165 Cb 0.49 -4.76 -0.06 0.00 -0.02 0.00 0.00 31.44 27.09 2vur n GLU 165 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2vur n SER 166 N -2.93 -4.99 -4.62 1.62 7.64 -1.26 -4.97 113.62 104.12 2vur n SER 166 Ca -0.22 0.37 -0.33 0.00 1.01 0.00 0.00 58.87 59.70 2vur n SER 166 Cb 0.64 -3.80 -0.10 0.00 -1.01 0.00 0.00 64.21 59.94 2vur n SER 166 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2vur s ASN 167 N -2.76 4.79 -0.01 6.43 0.01 -0.60 0.50 114.94 123.31 2vur s ASN 167 Ca 0.00 -0.05 0.02 0.00 -0.71 0.00 0.00 52.86 52.13 2vur s ASN 167 Cb 0.00 -1.20 -0.00 0.00 0.41 0.00 0.00 41.25 40.46 2vur s ASN 167 CO 0.00 0.32 -0.07 -0.51 -1.51 0.00 0.00 177.10 175.33 2vur s ILE 168 N -0.94 0.59 0.80 0.60 2.07 -0.95 -1.07 121.20 122.30 2vur s ILE 168 Ca 0.16 -0.31 -0.11 0.00 -1.41 0.00 0.00 60.65 58.98 2vur s ILE 168 Cb -0.11 -0.50 0.07 0.00 0.13 0.00 0.00 42.46 42.05 2vur s ILE 168 CO 0.05 0.17 1.10 -2.16 -1.91 0.00 0.00 174.94 172.20 2vur s PRO 169 N -0.12 2.03 -0.37 3.50 0.04 -1.26 -2.40 135.00 136.41 2vur s PRO 169 Ca 0.02 1.25 -0.20 0.00 0.04 0.00 0.00 61.00 62.11 2vur s PRO 169 Cb -0.04 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.65 2vur s PRO 169 CO -0.00 -1.82 0.60 -1.21 0.04 0.00 0.00 177.00 174.60 2vur s GLU 170 N -4.83 3.55 0.05 4.56 2.02 -1.26 -4.73 118.70 118.06 2vur s GLU 170 Ca 0.62 -0.13 0.01 0.00 0.02 0.00 0.00 54.97 55.49 2vur s GLU 170 Cb -0.18 -3.85 -0.03 0.00 0.10 0.00 0.00 34.13 30.17 2vur s GLU 170 CO 0.56 -0.78 -0.05 0.14 0.02 0.00 0.00 175.26 175.16 2vur s VAL 171 N 2.63 0.38 -0.18 2.63 -7.23 -1.04 -0.71 120.40 116.88 2vur s VAL 171 Ca 0.22 -1.51 -0.02 0.00 -1.81 0.00 0.00 61.98 58.86 2vur s VAL 171 Cb -0.15 -1.12 -0.00 0.00 0.56 0.00 0.00 36.38 35.67 2vur s VAL 171 CO 0.15 -0.74 -0.10 0.20 -0.31 0.00 0.00 175.10 174.30 2vur s ASN 172 N -2.39 3.96 -0.04 4.85 0.01 -0.03 -1.60 114.94 119.70 2vur s ASN 172 Ca 0.00 -0.43 0.07 0.00 -0.71 0.00 0.00 52.86 51.79 2vur s ASN 172 Cb 0.00 -1.64 -0.01 0.00 0.41 0.00 0.00 41.25 40.00 2vur s ASN 172 CO -0.05 0.04 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.71 2vur s ILE 173 N 1.08 1.95 -0.07 0.60 1.01 0.35 -1.70 121.20 124.43 2vur s ILE 173 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.63 2vur s ILE 173 Cb -0.15 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.71 2vur s ILE 173 CO -0.02 0.55 -0.08 0.42 0.00 0.00 0.00 174.94 175.81 2vur s THR 174 N -0.36 0.86 0.04 2.92 -4.23 -1.01 -1.05 115.64 112.80 2vur s THR 174 Ca 0.03 -0.28 -0.09 0.00 -1.18 0.00 0.00 61.69 60.17 2vur s THR 174 Cb -0.11 -0.84 0.00 0.00 1.34 0.00 0.00 72.50 72.89 2vur s THR 174 CO 0.01 0.31 0.18 -0.62 -0.54 0.00 0.00 174.62 173.96 2vur s ASP 175 N 1.01 0.05 0.00 3.99 2.15 -0.50 -0.83 116.67 122.53 2vur s ASP 175 Ca -0.09 -0.38 0.00 0.00 0.43 0.00 0.00 52.55 52.51 2vur s ASP 175 Cb -0.15 0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.76 2vur s ASP 175 CO -0.00 -0.55 0.00 0.00 -0.17 0.00 0.00 175.17 174.45 2vur n TYR 176 N 0.70 0.00 -2.79 -5.34 0.18 -1.26 -1.05 117.16 107.61 2vur n TYR 176 Ca -0.19 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.25 2vur n TYR 176 Cb 0.59 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.48 2vur n TYR 176 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 2vur s PRO 177 N -2.00 4.35 0.13 -3.48 0.04 -1.26 -4.76 135.00 128.02 2vur s PRO 177 Ca 0.00 1.22 -0.17 0.00 0.04 0.00 0.00 61.00 62.09 2vur s PRO 177 Cb 0.00 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 2vur s PRO 177 CO 0.00 0.07 1.70 1.15 0.04 0.00 0.00 177.00 179.96 2vur h THR 178 N 2.17 1.17 -3.83 1.26 2.02 -0.73 -3.45 112.91 111.52 2vur h THR 178 Ca -0.48 -0.51 -0.68 0.00 0.77 0.00 0.00 66.41 65.51 2vur h THR 178 Cb 1.19 0.83 -0.27 0.00 -1.74 0.00 0.00 68.15 68.16 2vur h THR 178 CO 0.62 0.19 -0.81 -0.69 0.37 0.00 0.00 175.52 175.20 2vur s VAL 179 N -5.66 2.73 0.10 3.16 1.01 -0.89 -5.04 120.40 115.80 2vur s VAL 179 Ca -0.13 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 2vur s VAL 179 Cb 0.10 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 34.33 2vur s VAL 179 CO 0.74 0.57 1.46 0.28 0.00 0.00 0.00 175.10 178.14 2vur h SER 180 N 5.96 0.69 -3.31 3.32 0.02 -1.87 -3.42 113.55 114.94 2vur h SER 180 Ca -0.36 -0.42 -0.66 0.00 -0.84 0.00 0.00 61.79 59.51 2vur h SER 180 Cb 1.18 -0.19 -0.29 0.00 0.14 0.00 0.00 62.40 63.24 2vur h SER 180 CO 0.51 0.96 -0.77 0.00 -1.14 0.00 0.00 176.83 176.39 2vur s ALA 181 N -4.55 2.63 -0.03 3.77 0.00 -1.12 -4.98 121.76 117.48 2vur s ALA 181 Ca -0.13 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.80 2vur s ALA 181 Cb 0.09 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.84 2vur s ALA 181 CO 0.81 -0.10 -0.05 1.03 0.00 0.00 0.00 175.76 177.45 2vur s ARG 182 N 0.92 0.67 0.00 0.00 0.52 -1.26 -0.82 118.95 118.99 2vur s ARG 182 Ca -0.02 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 2vur s ARG 182 Cb -0.15 -0.69 0.00 0.00 0.52 0.00 0.00 34.95 34.64 2vur s ARG 182 CO -0.01 -0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.71 2vur n GLY 183 N 3.70 -0.59 3.28 -3.53 0.00 -0.57 -0.94 105.19 106.55 2vur n GLY 183 Ca -0.22 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 2vur n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vur s ILE 184 N -3.88 1.93 -0.24 -0.61 1.09 -0.11 -1.50 121.20 117.88 2vur s ILE 184 Ca 0.00 -1.04 -0.06 0.00 -1.10 0.00 0.00 60.65 58.45 2vur s ILE 184 Cb 0.00 -1.60 -0.02 0.00 -1.06 0.00 0.00 42.46 39.78 2vur s ILE 184 CO 0.00 0.54 0.04 0.54 -0.10 0.00 0.00 174.94 175.96 2vur s VAL 185 N -0.56 4.06 -1.33 2.92 0.11 -0.02 -0.46 120.40 125.12 2vur s VAL 185 Ca 0.09 -0.26 -0.14 0.00 -2.93 0.00 0.00 61.98 58.74 2vur s VAL 185 Cb -0.09 -2.89 -0.02 0.00 -1.53 0.00 0.00 36.38 31.84 2vur s VAL 185 CO -0.01 0.36 2.30 1.21 -3.33 0.00 0.00 175.10 175.64 2vur n GLU 186 N 4.86 2.72 -0.10 1.54 2.13 -0.67 -4.13 120.64 126.99 2vur n GLU 186 Ca -0.17 -2.32 0.08 0.00 0.66 0.00 0.00 57.16 55.41 2vur n GLU 186 Cb 0.51 -3.08 0.13 0.00 0.27 0.00 0.00 31.44 29.27 2vur n GLU 186 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2vur n GLY 187 N 4.06 1.18 3.83 8.31 0.00 -1.26 -3.88 105.19 117.42 2vur n GLY 187 Ca 0.56 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2vur n GLY 187 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vur s PHE 188 N -1.21 3.36 0.65 1.61 -0.12 -1.26 -4.99 117.98 116.02 2vur s PHE 188 Ca 0.25 1.47 -0.07 0.00 -0.05 0.00 0.00 56.93 58.53 2vur s PHE 188 Cb 0.15 -2.74 0.03 0.00 -0.63 0.00 0.00 43.02 39.84 2vur s PHE 188 CO 0.21 -0.01 0.97 0.71 -0.05 0.00 0.00 175.22 177.05 2vur s TYR 189 N -2.07 3.09 0.00 3.49 1.51 -1.26 -4.68 117.35 117.44 2vur s TYR 189 Ca 0.58 0.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.21 2vur s TYR 189 Cb -0.10 -2.98 0.00 0.00 -0.11 0.00 0.00 41.96 38.77 2vur s TYR 189 CO 0.15 -1.13 0.00 0.41 -1.11 0.00 0.00 175.55 173.87 2vur n GLY 190 N -2.78 -2.18 3.71 0.71 0.00 -1.26 -4.69 105.19 98.70 2vur n GLY 190 Ca 0.06 -2.17 -0.58 0.00 0.00 0.00 0.00 46.02 43.33 2vur n GLY 190 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2vur n THR 191 N -0.22 0.27 -1.39 2.61 -1.04 -1.26 -4.91 114.28 108.34 2vur n THR 191 Ca 0.00 -0.05 -0.33 0.00 -2.04 0.00 0.00 64.05 61.63 2vur n THR 191 Cb 0.00 -1.15 0.09 0.00 -1.82 0.00 0.00 70.33 67.45 2vur n THR 191 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2vur s PRO 192 N 3.34 2.14 0.53 -2.82 0.02 -1.26 -4.73 135.00 132.21 2vur s PRO 192 Ca 0.98 1.60 -0.22 0.00 0.02 0.00 0.00 61.00 63.38 2vur s PRO 192 Cb -1.10 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 31.52 2vur s PRO 192 CO 0.66 -1.80 1.28 -1.58 -0.33 0.00 0.00 177.00 175.23 2vur s TRP 193 N -2.24 2.48 0.78 6.54 0.51 -1.26 -5.04 118.94 120.72 2vur s TRP 193 Ca 0.70 1.45 -0.10 0.00 -2.12 0.00 0.00 56.10 56.03 2vur s TRP 193 Cb -0.25 -3.62 0.09 0.00 -0.81 0.00 0.00 33.47 28.87 2vur s TRP 193 CO 0.47 -2.36 1.11 0.95 -0.51 0.00 0.00 176.95 176.61 2vur s THR 194 N -1.42 2.13 0.14 2.01 -4.23 -1.26 -4.90 115.64 108.12 2vur s THR 194 Ca 0.70 -0.15 -0.18 0.00 -1.18 0.00 0.00 61.69 60.88 2vur s THR 194 Cb -0.35 -2.98 -0.01 0.00 1.34 0.00 0.00 72.50 70.50 2vur s THR 194 CO 0.42 0.00 1.74 -0.74 -0.54 0.00 0.00 174.62 175.50 2vur h HIS 195 N -0.90 0.13 -0.84 3.99 2.76 -1.99 -1.42 115.15 116.88 2vur h HIS 195 Ca -0.45 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 57.72 2vur h HIS 195 Cb 1.31 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 30.21 2vur h HIS 195 CO 0.12 0.05 0.46 1.96 -1.30 0.00 0.00 177.93 179.22 2vur h GLN 196 N 0.19 1.17 -0.41 5.26 1.08 -1.99 -0.79 115.11 119.62 2vur h GLN 196 Ca 0.13 -0.14 0.06 0.00 -1.45 0.00 0.00 58.65 57.25 2vur h GLN 196 Cb 0.12 -0.23 -0.05 0.00 -0.05 0.00 0.00 27.48 27.27 2vur h GLN 196 CO -0.15 0.86 0.11 -0.44 -0.95 0.00 0.00 178.83 178.26 2vur h ASP 197 N 1.18 0.08 -0.39 1.46 3.32 -1.85 -1.03 116.42 119.19 2vur h ASP 197 Ca 0.30 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.33 2vur h ASP 197 Cb 0.03 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2vur h ASP 197 CO -0.05 0.08 -0.05 0.03 -1.72 0.00 0.00 179.24 177.53 2vur h ARG 198 N 0.26 0.72 -0.41 3.56 3.08 -0.72 0.12 114.38 120.97 2vur h ARG 198 Ca 0.20 -0.25 0.05 0.00 0.07 0.00 0.00 59.98 60.04 2vur h ARG 198 Cb 0.22 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 2vur h ARG 198 CO -0.23 0.84 0.16 -0.07 -1.07 0.00 0.00 179.97 179.60 2vur h LEU 199 N 0.53 0.19 -0.57 3.04 3.38 -1.05 -0.16 115.31 120.66 2vur h LEU 199 Ca 0.10 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2vur h LEU 199 Cb 0.55 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2vur h LEU 199 CO 0.03 0.14 0.32 -0.78 0.09 0.00 0.00 178.44 178.24 2vur h ASP 200 N 0.33 0.71 -0.26 -0.43 3.58 -0.99 -2.58 116.42 116.78 2vur h ASP 200 Ca 0.19 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2vur h ASP 200 Cb 0.16 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2vur h ASP 200 CO -0.18 0.59 0.17 1.56 -2.88 0.00 0.00 179.24 178.50 2vur h GLN 201 N 0.77 0.34 -0.39 0.28 1.08 -0.37 -1.88 115.11 114.94 2vur h GLN 201 Ca 0.20 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.44 2vur h GLN 201 Cb 0.03 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.33 2vur h GLN 201 CO -0.03 0.23 0.07 0.82 -0.95 0.00 0.00 178.83 178.97 2vur h ILE 202 N 0.35 0.79 -0.64 2.54 2.04 -0.86 0.10 117.51 121.83 2vur h ILE 202 Ca 0.09 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 65.95 2vur h ILE 202 Cb -0.04 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 2vur h ILE 202 CO -0.02 0.04 0.34 0.11 0.00 0.00 0.00 178.15 178.61 2vur h LYS 203 N 0.20 0.59 -0.96 2.37 1.57 -1.32 -1.91 116.57 117.12 2vur h LYS 203 Ca 0.19 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2vur h LYS 203 Cb 0.23 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 2vur h LYS 203 CO -0.25 0.39 0.58 0.35 -0.57 0.00 0.00 179.45 179.95 2vur h PHE 204 N 0.61 1.26 0.07 -1.35 3.57 -0.47 -2.22 116.94 118.41 2vur h PHE 204 Ca 0.30 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 2vur h PHE 204 Cb 0.23 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.56 2vur h PHE 204 CO -0.10 0.83 -0.04 1.88 -2.23 0.00 0.00 178.31 178.66 2vur h TYR 205 N 1.32 -0.09 -0.56 0.41 0.05 -0.21 -2.57 116.97 115.33 2vur h TYR 205 Ca 0.34 -0.00 0.10 0.00 0.05 0.00 0.00 58.73 59.23 2vur h TYR 205 Cb -0.07 0.03 -0.08 0.00 1.01 0.00 0.00 36.73 37.62 2vur h TYR 205 CO 0.01 -0.01 0.10 0.78 -1.05 0.00 0.00 178.16 177.98 2vur h GLY 206 N -0.15 0.68 2.00 3.88 0.00 -1.17 -0.27 103.07 108.04 2vur h GLY 206 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 2vur h GLY 206 CO 0.02 -0.11 -0.15 0.83 0.00 0.00 0.00 176.54 177.13 2vur h GLU 207 N 0.22 0.00 -0.43 4.80 5.08 -1.29 -2.59 114.58 120.38 2vur h GLU 207 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2vur h GLU 207 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2vur h GLU 207 CO -0.39 0.15 0.00 0.09 -1.00 0.00 0.00 179.01 177.86 2vur n ASN 208 N -4.01 3.82 -0.78 1.42 3.02 -0.78 -4.83 115.26 113.12 2vur n ASN 208 Ca -0.02 -2.44 -0.09 0.00 -0.03 0.00 0.00 54.58 52.00 2vur n ASN 208 Cb 0.23 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 2vur n ASN 208 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2vur n LYS 209 N 0.43 -0.64 -3.12 3.52 5.02 -0.48 -4.24 118.16 118.65 2vur n LYS 209 Ca 0.19 0.68 -0.40 0.00 -2.02 0.00 0.00 58.31 56.77 2vur n LYS 209 Cb 0.72 -4.59 -0.06 0.00 -0.02 0.00 0.00 35.03 31.08 2vur n LYS 209 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vur s LEU 210 N -2.17 4.19 0.00 -0.35 1.43 -0.23 -4.91 118.68 116.63 2vur s LEU 210 Ca 0.00 0.91 0.06 0.00 -1.03 0.00 0.00 54.13 54.07 2vur s LEU 210 Cb 0.00 -2.91 0.17 0.00 0.03 0.00 0.00 46.19 43.48 2vur s LEU 210 CO 0.00 -0.21 1.11 -0.46 0.23 0.00 0.00 176.35 177.02 2vur n ASN 211 N 4.64 2.45 -3.89 2.29 6.94 -0.11 -3.97 115.26 123.62 2vur n ASN 211 Ca -0.02 -1.94 -0.24 0.00 -0.02 0.00 0.00 54.58 52.36 2vur n ASN 211 Cb 0.50 -0.12 -0.17 0.00 -2.36 0.00 0.00 39.78 37.63 2vur n ASN 211 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2vur s THR 212 N -0.96 0.75 -0.21 5.53 2.01 -0.34 0.11 115.64 122.53 2vur s THR 212 Ca 0.13 -0.17 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 2vur s THR 212 Cb 0.07 -0.79 0.06 0.00 0.01 0.00 0.00 72.50 71.85 2vur s THR 212 CO 0.09 0.30 0.02 -0.47 -0.69 0.00 0.00 174.62 173.87 2vur s TYR 213 N 1.42 1.44 -0.69 4.92 5.04 -0.21 -0.93 117.35 128.35 2vur s TYR 213 Ca -0.02 -1.16 -0.21 0.00 -2.44 0.00 0.00 57.07 53.24 2vur s TYR 213 Cb -0.13 -1.22 0.09 0.00 0.35 0.00 0.00 41.96 41.04 2vur s TYR 213 CO -0.04 -0.67 0.92 0.42 -1.34 0.00 0.00 175.55 174.84 2vur s ILE 214 N 1.72 4.53 -0.49 3.14 1.01 0.40 -0.44 121.20 131.06 2vur s ILE 214 Ca -0.02 -0.75 -0.28 0.00 0.00 0.00 0.00 60.65 59.60 2vur s ILE 214 Cb -0.18 -4.65 0.00 0.00 0.01 0.00 0.00 42.46 37.65 2vur s ILE 214 CO -0.09 -1.38 1.53 -0.47 0.00 0.00 0.00 174.94 174.54 2vur s TYR 215 N 3.44 2.16 -0.45 3.97 5.04 0.09 -1.67 117.35 129.91 2vur s TYR 215 Ca 0.21 0.59 0.06 0.00 -2.44 0.00 0.00 57.07 55.49 2vur s TYR 215 Cb -0.17 -4.29 0.33 0.00 0.35 0.00 0.00 41.96 38.18 2vur s TYR 215 CO 0.06 -2.18 1.12 0.00 -1.34 0.00 0.00 175.55 173.21 2vur n ALA 216 N 9.91 -0.54 -2.03 3.97 0.00 -1.26 -0.20 120.51 130.37 2vur n ALA 216 Ca 0.16 -1.52 -0.32 0.00 0.00 0.00 0.00 53.44 51.76 2vur n ALA 216 Cb 0.49 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 2vur n ALA 216 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2vur s PRO 217 N 0.16 4.06 0.63 0.00 0.04 -1.25 -4.63 135.00 134.02 2vur s PRO 217 Ca 0.23 0.81 0.36 0.00 0.04 0.00 0.00 61.00 62.44 2vur s PRO 217 Cb 0.30 -2.34 2.04 0.00 0.04 0.00 0.00 34.50 34.55 2vur s PRO 217 CO -0.05 0.07 2.24 0.87 0.04 0.00 0.00 177.00 180.17 2vur h LYS 218 N 2.03 0.00 -0.02 4.56 1.79 -1.83 -2.94 116.57 120.16 2vur h LYS 218 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2vur h LYS 218 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2vur h LYS 218 CO 0.64 0.00 -0.12 -0.40 -1.08 0.00 0.00 179.45 178.48 2vur n ASP 219 N -3.39 1.98 -4.29 0.86 5.75 -1.26 -4.73 116.55 111.47 2vur n ASP 219 Ca -0.02 -1.55 -0.42 0.00 -0.01 0.00 0.00 54.79 52.78 2vur n ASP 219 Cb 0.16 0.10 -0.08 0.00 -1.03 0.00 0.00 41.12 40.27 2vur n ASP 219 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2vur s ASP 220 N -2.17 5.85 0.48 -1.12 -1.08 -1.11 -4.95 116.67 112.56 2vur s ASP 220 Ca 0.29 -1.59 0.13 0.00 -0.52 0.00 0.00 52.55 50.86 2vur s ASP 220 Cb 0.20 -2.07 1.12 0.00 -1.46 0.00 0.00 42.92 40.71 2vur s ASP 220 CO 0.40 -0.64 2.10 -0.65 0.52 0.00 0.00 175.17 176.89 2vur h PRO 221 N 8.57 0.14 0.00 4.34 0.11 -1.87 -1.66 132.00 141.62 2vur h PRO 221 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2vur h PRO 221 Cb 1.09 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2vur h PRO 221 CO 0.85 0.13 0.00 0.66 -0.21 0.00 0.00 178.00 179.42 2vur n TYR 222 N -4.49 0.00 0.72 0.65 4.02 -1.26 0.34 117.16 117.14 2vur n TYR 222 Ca -0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.97 2vur n TYR 222 Cb 0.11 -0.35 -0.12 0.00 -0.02 0.00 0.00 39.34 38.96 2vur n TYR 222 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 2vur n HIS 223 N -1.35 0.00 0.00 -0.72 1.44 -0.62 -4.17 115.22 109.80 2vur n HIS 223 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 2vur n HIS 223 Cb 0.06 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.06 2vur n HIS 223 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2vur n ARG 224 N -1.64 0.00 0.26 -1.40 0.63 -0.12 -1.06 116.66 113.32 2vur n ARG 224 Ca 0.02 0.00 0.17 0.00 -0.92 0.00 0.00 57.85 57.12 2vur n ARG 224 Cb 0.36 0.00 0.91 0.00 0.45 0.00 0.00 32.46 34.19 2vur n ARG 224 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 2vur h GLU 225 N 0.00 0.00 -0.11 -0.14 9.09 -1.74 -0.53 114.58 121.16 2vur h GLU 225 Ca 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.30 2vur h GLU 225 Cb 0.00 0.00 -0.15 0.00 -1.65 0.00 0.00 28.75 26.95 2vur h GLU 225 CO 0.00 0.00 -0.67 1.63 0.05 0.00 0.00 179.01 180.02 2vur n LYS 226 N -2.71 1.52 -0.15 1.06 5.02 0.15 -4.90 118.16 118.16 2vur n LYS 226 Ca -0.02 -3.16 0.18 0.00 -2.02 0.00 0.00 58.31 53.29 2vur n LYS 226 Cb 0.07 -1.37 0.56 0.00 -0.02 0.00 0.00 35.03 34.27 2vur n LYS 226 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 2vur h TRP 227 N 1.20 0.36 -0.25 2.13 5.08 -1.14 -1.51 115.95 121.83 2vur h TRP 227 Ca -0.01 0.01 -0.09 0.00 1.08 0.00 0.00 58.89 59.89 2vur h TRP 227 Cb 1.26 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 27.29 2vur h TRP 227 CO 0.64 0.13 -0.22 0.00 -1.28 0.00 0.00 178.44 177.71 2vur h ARG 228 N 0.30 0.45 -6.21 0.12 3.08 -1.88 -3.45 114.38 106.79 2vur h ARG 228 Ca 0.37 -0.16 -0.56 0.00 0.07 0.00 0.00 59.98 59.70 2vur h ARG 228 Cb 1.00 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.97 2vur h ARG 228 CO -0.10 0.65 0.56 -1.21 -1.07 0.00 0.00 179.97 178.80 2vur s GLU 229 N -4.55 4.40 0.74 0.04 2.02 -0.57 -4.46 118.70 116.31 2vur s GLU 229 Ca -0.07 1.35 -0.15 0.00 0.02 0.00 0.00 54.97 56.12 2vur s GLU 229 Cb 0.14 -3.55 0.04 0.00 0.10 0.00 0.00 34.13 30.86 2vur s GLU 229 CO 0.78 -0.34 1.16 -2.30 0.02 0.00 0.00 175.26 174.59 2vur n PRO 230 N 5.11 0.53 -1.82 0.39 -0.02 -1.26 -4.94 135.00 132.99 2vur n PRO 230 Ca 0.08 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 2vur n PRO 230 Cb 0.49 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 2vur n PRO 230 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2vur s TYR 231 N -1.83 2.89 0.75 6.00 2.02 -1.26 -5.00 117.35 120.92 2vur s TYR 231 Ca 0.76 0.66 -0.11 0.00 -0.37 0.00 0.00 57.07 58.01 2vur s TYR 231 Cb -0.33 -4.03 0.04 0.00 -0.40 0.00 0.00 41.96 37.24 2vur s TYR 231 CO 0.48 -3.65 1.08 -1.25 -1.57 0.00 0.00 175.55 170.64 2vur s PRO 232 N 0.28 2.49 0.53 -1.71 0.04 -1.26 -4.87 135.00 130.50 2vur s PRO 232 Ca 0.67 0.78 0.21 0.00 0.04 0.00 0.00 61.00 62.71 2vur s PRO 232 Cb -0.47 -1.95 1.37 0.00 0.04 0.00 0.00 34.50 33.49 2vur s PRO 232 CO 0.40 -1.37 2.08 0.93 0.04 0.00 0.00 177.00 179.08 2vur h GLU 233 N -0.91 0.00 0.00 4.56 4.39 -2.00 -0.94 114.58 119.68 2vur h GLU 233 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2vur h GLU 233 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2vur h GLU 233 CO 0.58 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 177.30 2vur n SER 234 N -4.38 0.00 0.00 1.42 3.41 -1.26 -2.44 113.62 110.37 2vur n SER 234 Ca 0.03 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2vur n SER 234 Cb 0.33 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2vur n SER 234 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2vur n GLU 235 N -1.40 4.52 0.07 4.33 -0.58 -0.37 -4.79 120.64 122.42 2vur n GLU 235 Ca 0.02 -0.09 -0.02 0.00 -0.42 0.00 0.00 57.16 56.65 2vur n GLU 235 Cb 0.07 -0.53 0.24 0.00 -0.57 0.00 0.00 31.44 30.64 2vur n GLU 235 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 2vur h MET 236 N 0.00 0.31 0.12 3.49 2.86 -1.28 -2.58 114.93 117.85 2vur h MET 236 Ca 0.00 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2vur h MET 236 Cb 0.02 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2vur h MET 236 CO 0.00 0.61 -0.06 0.37 1.06 0.00 0.00 176.91 178.89 2vur h GLN 237 N 0.27 -0.16 0.02 1.72 4.15 -1.87 -1.09 115.11 118.15 2vur h GLN 237 Ca 0.04 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.48 2vur h GLN 237 Cb 0.71 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 2vur h GLN 237 CO 0.05 0.12 -0.12 -0.09 -1.93 0.00 0.00 178.83 176.86 2vur h ARG 238 N -0.44 -0.21 -0.98 1.69 2.43 -1.88 -1.04 114.38 113.94 2vur h ARG 238 Ca -0.02 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 2vur h ARG 238 Cb 0.35 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.89 2vur h ARG 238 CO 0.03 -0.14 0.64 0.52 -1.51 0.00 0.00 179.97 179.50 2vur h MET 239 N -0.22 1.16 -0.28 0.20 2.86 -1.52 -2.96 114.93 114.17 2vur h MET 239 Ca 0.04 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 2vur h MET 239 Cb 0.26 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2vur h MET 239 CO -0.11 0.77 -0.05 0.37 1.06 0.00 0.00 176.91 178.94 2vur h GLN 240 N 1.19 0.53 -0.88 1.72 5.75 -0.73 -1.76 115.11 120.93 2vur h GLN 240 Ca 0.41 -0.20 0.18 0.00 -0.15 0.00 0.00 58.65 58.90 2vur h GLN 240 Cb 0.09 -0.03 -0.11 0.00 1.07 0.00 0.00 27.48 28.50 2vur h GLN 240 CO -0.15 0.73 0.43 0.93 -2.65 0.00 0.00 178.83 178.11 2vur h GLU 241 N 0.29 0.51 -0.29 1.69 5.08 -1.12 0.69 114.58 121.44 2vur h GLU 241 Ca 0.07 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2vur h GLU 241 Cb 0.52 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2vur h GLU 241 CO 0.03 0.34 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.23 2vur h LEU 242 N 0.53 0.57 -0.26 1.33 3.38 -1.33 -0.23 115.31 119.29 2vur h LEU 242 Ca 0.51 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2vur h LEU 242 Cb 0.86 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2vur h LEU 242 CO -0.44 0.81 0.09 0.40 0.09 0.00 0.00 178.44 179.39 2vur h ILE 243 N 0.32 1.19 0.29 1.22 2.04 -0.65 -1.41 117.51 120.51 2vur h ILE 243 Ca 0.07 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2vur h ILE 243 Cb 0.56 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2vur h ILE 243 CO 0.03 0.20 -0.14 0.78 0.00 0.00 0.00 178.15 179.02 2vur h ASN 244 N 0.26 -0.33 -0.56 1.72 2.35 0.44 -1.50 115.58 117.96 2vur h ASN 244 Ca 0.09 -0.06 0.11 0.00 -0.55 0.00 0.00 56.30 55.89 2vur h ASN 244 Cb 0.22 0.08 -0.09 0.00 0.05 0.00 0.00 38.32 38.58 2vur h ASN 244 CO -0.00 -0.15 -0.01 0.00 -1.65 0.00 0.00 177.43 175.62 2vur h ALA 245 N 0.19 0.53 0.39 -0.83 0.00 -1.06 -1.11 119.26 117.37 2vur h ALA 245 Ca -0.04 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2vur h ALA 245 Cb 0.37 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2vur h ALA 245 CO 0.06 -0.39 -0.45 0.77 0.00 0.00 0.00 179.25 179.25 2vur h SER 246 N 0.11 -1.24 -0.72 0.00 0.02 -1.01 -2.04 113.55 108.65 2vur h SER 246 Ca 0.29 0.11 0.16 0.00 -0.84 0.00 0.00 61.79 61.50 2vur h SER 246 Cb 0.45 0.42 -0.13 0.00 0.14 0.00 0.00 62.40 63.27 2vur h SER 246 CO -0.48 -0.57 -0.08 0.00 -1.14 0.00 0.00 176.83 174.56 2vur h ALA 247 N -0.96 0.63 0.00 3.77 0.00 -1.02 0.03 119.26 121.71 2vur h ALA 247 Ca -0.05 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2vur h ALA 247 Cb 0.75 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2vur h ALA 247 CO -0.09 -0.42 -0.03 0.93 0.00 0.00 0.00 179.25 179.64 2vur h GLU 248 N 0.05 0.00 -0.51 0.00 5.08 -0.92 -1.48 114.58 116.81 2vur h GLU 248 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2vur h GLU 248 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2vur h GLU 248 CO -0.69 0.03 0.00 0.09 -1.00 0.00 0.00 179.01 177.44 2vur n ASN 249 N -3.20 3.88 -1.48 1.42 3.02 -0.39 -4.83 115.26 113.67 2vur n ASN 249 Ca -0.01 -2.30 -0.18 0.00 -0.03 0.00 0.00 54.58 52.07 2vur n ASN 249 Cb 0.22 -0.44 -0.06 0.00 -0.61 0.00 0.00 39.78 38.89 2vur n ASN 249 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2vur n LYS 250 N 0.78 -1.27 -3.34 3.52 4.76 -0.56 -4.38 118.16 117.68 2vur n LYS 250 Ca 0.20 1.08 -0.39 0.00 -2.87 0.00 0.00 58.31 56.33 2vur n LYS 250 Cb 0.69 -5.38 -0.08 0.00 -1.84 0.00 0.00 35.03 28.42 2vur n LYS 250 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2vur s VAL 251 N -2.70 5.16 -0.31 -0.18 1.01 -0.14 -4.59 120.40 118.65 2vur s VAL 251 Ca 0.00 0.76 -0.29 0.00 0.00 0.00 0.00 61.98 62.46 2vur s VAL 251 Cb 0.00 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2vur s VAL 251 CO 0.00 0.20 1.65 -1.81 0.00 0.00 0.00 175.10 175.14 2vur s ASP 252 N 1.21 6.16 -0.56 3.32 1.01 0.30 -3.54 116.67 124.57 2vur s ASP 252 Ca 0.20 1.30 -0.26 0.00 0.71 0.00 0.00 52.55 54.51 2vur s ASP 252 Cb -0.15 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.28 2vur s ASP 252 CO 0.09 -1.49 1.03 0.12 0.21 0.00 0.00 175.17 175.12 2vur s PHE 253 N 5.99 2.73 -0.27 4.23 5.36 -1.26 -1.04 117.98 133.71 2vur s PHE 253 Ca 0.73 0.14 -0.16 0.00 -0.96 0.00 0.00 56.93 56.68 2vur s PHE 253 Cb -0.21 -4.23 -0.03 0.00 -0.34 0.00 0.00 43.02 38.21 2vur s PHE 253 CO 0.32 -1.43 0.43 0.08 -1.46 0.00 0.00 175.22 173.16 2vur s VAL 254 N 4.31 5.12 -0.36 3.12 1.01 0.41 -3.83 120.40 130.18 2vur s VAL 254 Ca 0.35 0.65 -0.26 0.00 0.00 0.00 0.00 61.98 62.72 2vur s VAL 254 Cb -0.11 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.52 2vur s VAL 254 CO 0.21 0.10 0.93 0.12 0.00 0.00 0.00 175.10 176.46 2vur s PHE 255 N 2.18 3.09 -0.20 5.22 5.36 0.72 -0.73 117.98 133.62 2vur s PHE 255 Ca 0.17 0.81 -0.24 0.00 -0.96 0.00 0.00 56.93 56.71 2vur s PHE 255 Cb -0.16 -3.63 -0.01 0.00 -0.34 0.00 0.00 43.02 38.88 2vur s PHE 255 CO 0.10 -0.81 0.78 0.20 -1.46 0.00 0.00 175.22 174.03 2vur s GLY 256 N 1.85 1.99 -0.13 13.12 0.00 0.72 -1.38 107.32 123.49 2vur s GLY 256 Ca 0.38 -0.09 0.01 0.00 0.00 0.00 0.00 44.72 45.03 2vur s GLY 256 CO 0.18 1.63 -0.18 -1.50 0.00 0.00 0.00 173.10 173.23 2vur s ILE 257 N 2.31 2.57 -0.67 0.90 -1.16 0.10 -4.70 121.20 120.54 2vur s ILE 257 Ca 0.35 -0.83 0.02 0.00 -0.51 0.00 0.00 60.65 59.68 2vur s ILE 257 Cb -0.16 -2.05 0.17 0.00 0.61 0.00 0.00 42.46 41.03 2vur s ILE 257 CO 0.10 0.54 0.47 -0.44 -2.81 0.00 0.00 174.94 172.80 2vur s SER 258 N 0.49 4.98 0.00 4.50 0.01 -0.22 -0.22 113.70 123.24 2vur s SER 258 Ca -0.12 -3.42 0.29 0.00 1.31 0.00 0.00 55.95 54.02 2vur s SER 258 Cb -0.16 -1.73 1.35 0.00 0.21 0.00 0.00 66.02 65.69 2vur s SER 258 CO 0.05 -0.20 1.95 -0.81 0.41 0.00 0.00 173.24 174.65 2vur n PRO 259 N 2.63 0.45 -0.31 12.44 -0.04 -1.26 -4.29 135.00 144.63 2vur n PRO 259 Ca 0.14 -0.08 0.14 0.00 -0.04 0.00 0.00 63.50 63.66 2vur n PRO 259 Cb 0.35 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.63 2vur n PRO 259 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2vur h GLY 260 N 4.99 1.55 -0.98 0.55 0.00 -1.91 -1.10 103.07 106.16 2vur h GLY 260 Ca 0.00 -0.15 0.25 0.00 0.00 0.00 0.00 47.33 47.43 2vur h GLY 260 CO 0.00 -0.30 -0.05 4.51 0.00 0.00 0.00 176.54 180.71 2vur n ILE 261 N -5.07 -0.41 -1.34 2.60 3.06 -1.26 -3.95 119.36 112.98 2vur n ILE 261 Ca 0.23 2.17 0.00 0.00 -2.50 0.00 0.00 62.75 62.65 2vur n ILE 261 Cb 0.68 -3.13 0.00 0.00 0.54 0.00 0.00 39.64 37.73 2vur n ILE 261 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 2vur n ASP 262 N -5.50 0.00 -4.68 9.51 5.68 -1.02 -4.97 116.55 115.58 2vur n ASP 262 Ca 0.21 -1.00 -0.43 0.00 -0.50 0.00 0.00 54.79 53.07 2vur n ASP 262 Cb 0.68 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.66 2vur n ASP 262 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2vur n ILE 263 N 0.00 1.98 -4.49 2.12 3.06 -0.45 -5.00 119.36 116.57 2vur n ILE 263 Ca 0.00 -0.49 -0.33 0.00 -2.50 0.00 0.00 62.75 59.43 2vur n ILE 263 Cb 0.41 -1.45 -0.10 0.00 0.54 0.00 0.00 39.64 39.04 2vur n ILE 263 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 2vur s ARG 264 N -1.79 2.68 -0.15 9.51 0.52 -1.26 -5.01 118.95 123.46 2vur s ARG 264 Ca 0.56 -0.62 0.06 0.00 -0.52 0.00 0.00 55.73 55.21 2vur s ARG 264 Cb -0.60 -2.57 -0.13 0.00 0.52 0.00 0.00 34.95 32.17 2vur s ARG 264 CO 0.62 0.63 -0.05 1.19 0.02 0.00 0.00 175.30 177.71 2vur n PHE 265 N 1.82 0.00 -3.76 -0.53 3.72 -1.26 -4.08 117.46 113.37 2vur n PHE 265 Ca -0.16 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.94 2vur n PHE 265 Cb 0.53 -0.64 -0.04 0.00 -0.94 0.00 0.00 39.48 38.39 2vur n PHE 265 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2vur s ASP 266 N -5.09 6.41 0.98 4.37 1.01 -1.26 -4.32 116.67 118.77 2vur s ASP 266 Ca -0.14 0.41 0.00 0.00 0.71 0.00 0.00 52.55 53.52 2vur s ASP 266 Cb 0.05 -2.01 0.00 0.00 1.01 0.00 0.00 42.92 41.96 2vur s ASP 266 CO 0.46 0.04 0.00 0.61 0.21 0.00 0.00 175.17 176.48 2vur n GLY 267 N -0.24 1.03 0.33 0.21 0.00 -1.26 -1.92 105.19 103.33 2vur n GLY 267 Ca -0.04 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.35 2vur n GLY 267 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vur h ASP 268 N 7.93 0.82 -0.65 1.61 3.32 -1.99 -1.92 116.42 125.55 2vur h ASP 268 Ca 0.00 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 2vur h ASP 268 Cb 0.00 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 2vur h ASP 268 CO 0.00 0.67 0.26 0.00 -1.72 0.00 0.00 179.24 178.46 2vur h ALA 269 N 1.46 0.84 -0.11 3.45 0.00 -1.95 -1.06 119.26 121.89 2vur h ALA 269 Ca 0.23 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2vur h ALA 269 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2vur h ALA 269 CO -0.04 0.45 -0.52 0.78 0.00 0.00 0.00 179.25 179.92 2vur h GLY 270 N 0.91 0.33 0.65 0.00 0.00 -1.09 -1.18 103.07 102.68 2vur h GLY 270 Ca 0.22 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 2vur h GLY 270 CO -0.02 0.33 -0.03 -2.09 0.00 0.00 0.00 176.54 174.72 2vur h GLU 271 N 0.24 0.13 -0.38 4.80 4.57 -1.21 -0.34 114.58 122.38 2vur h GLU 271 Ca 0.01 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.19 2vur h GLU 271 Cb 0.99 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.52 2vur h GLU 271 CO 0.08 0.52 0.04 1.49 -1.18 0.00 0.00 179.01 179.96 2vur h GLU 272 N -0.26 0.15 -0.51 1.92 4.81 -1.13 0.13 114.58 119.69 2vur h GLU 272 Ca 0.01 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2vur h GLU 272 Cb 0.48 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2vur h GLU 272 CO 0.01 0.10 0.07 -0.44 -0.73 0.00 0.00 179.01 178.01 2vur h ASP 273 N 0.15 0.77 -0.25 1.04 3.32 -1.20 -1.17 116.42 119.08 2vur h ASP 273 Ca 0.19 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 2vur h ASP 273 Cb 0.24 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2vur h ASP 273 CO -0.28 0.79 -0.09 0.15 -1.72 0.00 0.00 179.24 178.09 2vur h PHE 274 N 0.77 0.69 -0.24 4.55 3.57 -0.39 -2.58 116.94 123.31 2vur h PHE 274 Ca 0.16 -0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 2vur h PHE 274 Cb 0.37 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2vur h PHE 274 CO 0.02 0.71 -0.19 -0.91 -2.23 0.00 0.00 178.31 175.71 2vur h ASN 275 N 0.59 0.42 0.16 0.41 2.35 -0.37 -2.57 115.58 116.58 2vur h ASN 275 Ca 0.11 -0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 2vur h ASN 275 Cb 0.51 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2vur h ASN 275 CO 0.03 0.63 -0.23 0.45 -1.65 0.00 0.00 177.43 176.66 2vur h HIS 276 N 0.39 0.14 -0.31 1.19 3.86 -0.99 -1.45 115.15 117.98 2vur h HIS 276 Ca 0.07 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 2vur h HIS 276 Cb 0.56 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 2vur h HIS 276 CO 0.02 0.36 -0.11 1.25 0.86 0.00 0.00 177.93 180.31 2vur h LEU 277 N 0.12 0.63 0.98 2.43 6.46 -1.07 -0.61 115.31 124.25 2vur h LEU 277 Ca 0.02 -0.38 -0.05 0.00 -0.12 0.00 0.00 57.88 57.35 2vur h LEU 277 Cb 0.49 -0.17 0.01 0.00 -0.73 0.00 0.00 40.66 40.25 2vur h LEU 277 CO 0.03 0.87 -0.47 0.40 -0.62 0.00 0.00 178.44 178.66 2vur h ILE 278 N 0.39 0.00 -0.81 4.05 1.08 -1.24 -0.82 117.51 120.16 2vur h ILE 278 Ca 0.08 -0.02 0.11 0.00 -0.39 0.00 0.00 64.86 64.63 2vur h ILE 278 Cb 0.61 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.29 2vur h ILE 278 CO 0.04 0.00 0.45 0.71 -0.69 0.00 0.00 178.15 178.65 2vur h THR 279 N -1.34 0.86 -0.06 -0.27 1.35 -1.29 0.30 112.91 112.45 2vur h THR 279 Ca -0.13 -0.25 0.02 0.00 -0.55 0.00 0.00 66.41 65.50 2vur h THR 279 Cb 1.01 0.07 -0.03 0.00 -1.73 0.00 0.00 68.15 67.47 2vur h THR 279 CO 0.22 0.13 -0.08 0.50 -0.25 0.00 0.00 175.52 176.04 2vur h LYS 280 N 0.73 -0.11 -0.71 4.72 1.63 -1.09 -0.93 116.57 120.81 2vur h LYS 280 Ca 0.40 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.15 2vur h LYS 280 Cb 0.43 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.05 2vur h LYS 280 CO -0.27 -0.07 0.20 0.00 -3.45 0.00 0.00 179.45 175.85 2vur h ALA 281 N 0.93 0.93 -0.07 5.00 0.00 0.52 -2.18 119.26 124.39 2vur h ALA 281 Ca 0.06 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2vur h ALA 281 Cb 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2vur h ALA 281 CO -0.13 0.63 -0.01 0.93 0.00 0.00 0.00 179.25 180.66 2vur h GLU 282 N 1.06 0.00 0.00 0.00 5.08 -0.46 -0.05 114.58 120.21 2vur h GLU 282 Ca 0.23 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2vur h GLU 282 Cb 0.34 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2vur h GLU 282 CO -0.00 0.00 -0.10 0.66 -1.00 0.00 0.00 179.01 178.57 2vur h SER 283 N 0.00 0.00 0.50 1.42 4.64 -0.69 0.18 113.55 119.60 2vur h SER 283 Ca 0.03 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.11 2vur h SER 283 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2vur h SER 283 CO -0.07 0.10 -1.06 -0.07 -0.87 0.00 0.00 176.83 174.86 2vur h LEU 284 N 0.00 0.45 -0.90 5.97 3.38 -1.23 -3.22 115.31 119.77 2vur h LEU 284 Ca -0.00 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 2vur h LEU 284 Cb 0.19 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2vur h LEU 284 CO 0.01 1.25 0.37 0.22 0.09 0.00 0.00 178.44 180.39 2vur h TYR 285 N 0.15 1.17 0.00 1.13 3.20 0.99 -1.43 116.97 122.18 2vur h TYR 285 Ca -0.10 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.71 2vur h TYR 285 Cb 1.74 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 39.64 2vur h TYR 285 CO 0.06 0.86 -0.00 -0.44 -1.64 0.00 0.00 178.16 176.99 2vur h ASP 286 N 1.16 0.00 0.23 -2.11 3.32 -0.77 0.14 116.42 118.38 2vur h ASP 286 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2vur h ASP 286 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2vur h ASP 286 CO -0.03 0.00 -0.40 0.23 -1.72 0.00 0.00 179.24 177.32 2vur n MET 287 N -3.09 0.66 -0.02 3.56 2.81 -0.73 -4.95 117.12 115.36 2vur n MET 287 Ca -0.02 -0.44 0.00 0.00 -1.81 0.00 0.00 57.70 55.43 2vur n MET 287 Cb 0.12 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.14 2vur n MET 287 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2vur n GLY 288 N 1.40 0.99 3.70 3.03 0.00 0.49 -4.98 105.19 109.82 2vur n GLY 288 Ca 0.10 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2vur n GLY 288 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vur s VAL 289 N -2.00 4.24 0.00 1.61 1.01 -0.62 -4.91 120.40 119.73 2vur s VAL 289 Ca 0.00 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.57 2vur s VAL 289 Cb 0.00 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2vur s VAL 289 CO 0.00 0.07 0.65 0.54 0.00 0.00 0.00 175.10 176.37 2vur n ARG 290 N 4.43 0.82 -4.23 2.72 5.12 -1.26 -4.15 116.66 120.11 2vur n ARG 290 Ca 0.09 -0.86 -0.19 0.00 -1.93 0.00 0.00 57.85 54.97 2vur n ARG 290 Cb 0.47 -0.90 -0.15 0.00 -1.16 0.00 0.00 32.46 30.71 2vur n ARG 290 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2vur s SER 291 N -0.41 0.89 0.04 0.55 0.01 -1.25 -0.80 113.70 112.73 2vur s SER 291 Ca 0.00 -0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.16 2vur s SER 291 Cb 0.00 -0.27 -0.02 0.00 0.21 0.00 0.00 66.02 65.94 2vur s SER 291 CO 0.00 0.02 -0.11 -0.36 0.41 0.00 0.00 173.24 173.21 2vur s PHE 292 N 0.35 0.91 -0.01 2.43 0.40 -1.26 -0.20 117.98 120.61 2vur s PHE 292 Ca -0.04 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 2vur s PHE 292 Cb -0.09 -0.54 -0.01 0.00 0.51 0.00 0.00 43.02 42.90 2vur s PHE 292 CO 0.00 -0.01 -0.08 0.00 0.70 0.00 0.00 175.22 175.83 2vur s ALA 293 N -1.01 0.69 -0.22 5.36 0.00 -0.48 -2.32 121.76 123.77 2vur s ALA 293 Ca -0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.56 2vur s ALA 293 Cb -0.08 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.89 2vur s ALA 293 CO 0.01 0.17 -0.11 0.42 0.00 0.00 0.00 175.76 176.24 2vur s ILE 294 N -0.22 2.55 -0.00 0.00 1.01 -0.33 0.02 121.20 124.22 2vur s ILE 294 Ca 0.03 -1.03 -0.20 0.00 0.00 0.00 0.00 60.65 59.45 2vur s ILE 294 Cb -0.03 -2.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 2vur s ILE 294 CO -0.00 0.30 0.58 -0.31 0.00 0.00 0.00 174.94 175.51 2vur s TYR 295 N 1.30 3.68 -0.21 3.97 4.12 0.70 -2.59 117.35 128.32 2vur s TYR 295 Ca 0.01 1.18 0.08 0.00 0.02 0.00 0.00 57.07 58.36 2vur s TYR 295 Cb -0.16 -2.58 0.17 0.00 -1.52 0.00 0.00 41.96 37.87 2vur s TYR 295 CO -0.07 0.37 1.12 0.91 0.02 0.00 0.00 175.55 177.90 2vur n TRP 296 N 2.67 0.17 0.00 2.71 7.02 0.14 -4.25 117.44 125.89 2vur n TRP 296 Ca -0.07 -0.66 -0.05 0.00 -1.02 0.00 0.00 57.50 55.70 2vur n TRP 296 Cb 0.51 -0.09 0.17 0.00 -2.42 0.00 0.00 31.31 29.47 2vur n TRP 296 CO 0.00 0.00 0.00 0.38 -2.02 0.00 0.00 177.69 176.05 2vur h ASP 297 N 0.51 0.53 -0.36 -0.99 2.03 -1.77 -3.24 116.42 113.13 2vur h ASP 297 Ca 0.00 -0.20 -0.04 0.00 -0.73 0.00 0.00 57.03 56.07 2vur h ASP 297 Cb 0.75 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 39.08 2vur h ASP 297 CO 0.02 0.80 0.02 -0.90 -1.03 0.00 0.00 179.24 178.15 2vur n ASP 298 N -4.09 4.16 -4.80 4.15 3.85 -1.26 -4.85 116.55 113.70 2vur n ASP 298 Ca -0.01 -3.09 -0.38 0.00 -0.71 0.00 0.00 54.79 50.60 2vur n ASP 298 Cb 0.44 -0.60 -0.06 0.00 -1.35 0.00 0.00 41.12 39.55 2vur n ASP 298 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.20 175.68 2vur s ILE 299 N -2.88 4.61 -0.07 2.12 2.07 -1.22 -4.53 121.20 121.30 2vur s ILE 299 Ca 0.46 1.33 -0.25 0.00 -1.41 0.00 0.00 60.65 60.78 2vur s ILE 299 Cb 0.37 -3.94 -0.25 0.00 0.13 0.00 0.00 42.46 38.76 2vur s ILE 299 CO 0.10 0.46 0.95 1.56 -1.91 0.00 0.00 174.94 176.10 2vur h GLN 300 N 4.19 0.16 -5.12 3.50 1.08 -1.94 -3.40 115.11 113.58 2vur h GLN 300 Ca -0.49 -0.21 -0.07 0.00 -1.45 0.00 0.00 58.65 56.44 2vur h GLN 300 Cb 1.21 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2vur h GLN 300 CO 0.65 1.00 0.21 -3.47 -0.95 0.00 0.00 178.83 176.26 2vur n ASP 301 N -4.45 1.55 -2.44 1.46 4.64 -1.26 -4.83 116.55 111.21 2vur n ASP 301 Ca -0.11 -2.52 -0.10 0.00 -1.38 0.00 0.00 54.79 50.68 2vur n ASP 301 Cb 0.56 -1.69 -0.08 0.00 -1.04 0.00 0.00 41.12 38.87 2vur n ASP 301 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 2vur n LYS 302 N 8.15 1.33 -3.41 -0.67 4.81 -1.26 -4.83 118.16 122.27 2vur n LYS 302 Ca 0.42 -0.76 -0.45 0.00 -0.87 0.00 0.00 58.31 56.65 2vur n LYS 302 Cb 0.47 -1.93 -0.04 0.00 0.02 0.00 0.00 35.03 33.55 2vur n LYS 302 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2vur s SER 303 N 2.66 6.37 0.26 3.14 0.01 -1.26 -4.95 113.70 119.93 2vur s SER 303 Ca 0.38 -2.60 -0.03 0.00 1.31 0.00 0.00 55.95 55.01 2vur s SER 303 Cb 0.16 -2.13 0.54 0.00 0.21 0.00 0.00 66.02 64.79 2vur s SER 303 CO -0.01 -0.57 1.68 0.00 0.41 0.00 0.00 173.24 174.76 2vur h ALA 304 N 7.78 1.07 -0.55 1.44 0.00 -1.88 -0.65 119.26 126.48 2vur h ALA 304 Ca 0.03 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2vur h ALA 304 Cb 1.03 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2vur h ALA 304 CO 0.78 -0.35 0.05 0.00 0.00 0.00 0.00 179.25 179.72 2vur h ALA 305 N 1.65 1.05 -0.35 0.00 0.00 -1.91 -0.96 119.26 118.75 2vur h ALA 305 Ca 0.46 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2vur h ALA 305 Cb 0.81 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2vur h ALA 305 CO -0.53 0.60 -0.12 0.87 0.00 0.00 0.00 179.25 180.06 2vur h LYS 306 N 0.84 0.69 0.10 0.00 1.79 -1.58 -1.39 116.57 117.03 2vur h LYS 306 Ca 0.17 -0.28 0.01 0.00 -2.18 0.00 0.00 60.65 58.36 2vur h LYS 306 Cb 0.44 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 2vur h LYS 306 CO 0.02 0.88 -0.17 0.45 -1.08 0.00 0.00 179.45 179.55 2vur h HIS 307 N 0.48 -0.43 0.00 -1.35 3.86 -1.06 -2.58 115.15 114.06 2vur h HIS 307 Ca 0.08 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.21 2vur h HIS 307 Cb 0.64 0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 2vur h HIS 307 CO 0.05 -0.25 -0.42 0.00 0.86 0.00 0.00 177.93 178.17 2vur h ALA 308 N 0.52 0.93 -0.14 2.45 0.00 -1.13 -2.06 119.26 119.83 2vur h ALA 308 Ca 0.02 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 2vur h ALA 308 Cb 0.34 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2vur h ALA 308 CO -0.09 0.53 -0.68 0.37 0.00 0.00 0.00 179.25 179.38 2vur h GLN 309 N 0.00 0.56 0.05 0.00 5.75 -1.21 -0.83 115.11 119.43 2vur h GLN 309 Ca -0.00 -0.42 -0.00 0.00 -0.15 0.00 0.00 58.65 58.08 2vur h GLN 309 Cb 1.00 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.62 2vur h GLN 309 CO 0.06 1.04 -0.02 0.28 -2.65 0.00 0.00 178.83 177.53 2vur h VAL 310 N 0.40 1.03 -0.50 2.39 2.07 -1.04 -0.77 116.25 119.84 2vur h VAL 310 Ca -0.02 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.34 2vur h VAL 310 Cb 1.26 1.21 -0.09 0.00 -1.52 0.00 0.00 31.29 32.14 2vur h VAL 310 CO 0.13 0.07 -0.07 -0.07 0.02 0.00 0.00 177.57 177.64 2vur h LEU 311 N -0.18 -0.35 -0.65 2.57 3.38 -1.34 0.04 115.31 118.78 2vur h LEU 311 Ca -0.01 0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 2vur h LEU 311 Cb 0.16 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2vur h LEU 311 CO 0.01 -0.13 -0.23 0.78 0.09 0.00 0.00 178.44 178.96 2vur h ASN 312 N 0.05 0.83 1.18 -0.43 2.35 -1.01 0.19 115.58 118.74 2vur h ASN 312 Ca 0.25 -0.31 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 2vur h ASN 312 Cb 0.38 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2vur h ASN 312 CO -0.47 1.03 -0.40 -0.09 -1.65 0.00 0.00 177.43 175.84 2vur h ARG 313 N 0.70 0.00 0.02 0.81 1.12 -0.95 -1.62 114.38 114.47 2vur h ARG 313 Ca 0.09 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.96 2vur h ARG 313 Cb 0.76 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.72 2vur h ARG 313 CO 0.06 0.40 -0.01 0.35 -3.11 0.00 0.00 179.97 177.66 2vur h PHE 314 N 0.00 -0.03 -0.79 2.20 3.57 -0.74 -1.86 116.94 119.28 2vur h PHE 314 Ca -0.00 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 2vur h PHE 314 Cb 1.10 0.01 -0.15 0.00 2.79 0.00 0.00 35.95 39.70 2vur h PHE 314 CO 0.00 0.65 -0.19 -0.97 -2.23 0.00 0.00 178.31 175.57 2vur h ASN 315 N -0.77 -0.72 0.29 0.41 -0.00 -0.59 0.34 115.58 114.54 2vur h ASN 315 Ca -0.00 0.24 -0.01 0.00 -0.00 0.00 0.00 56.30 56.52 2vur h ASN 315 Cb 0.69 0.49 0.00 0.00 -0.00 0.00 0.00 38.32 39.50 2vur h ASN 315 CO 0.01 -0.26 -0.14 -0.33 -0.00 0.00 0.00 177.43 176.70 2vur h GLU 316 N 0.00 -0.38 0.00 6.67 4.39 -1.37 0.76 114.58 124.65 2vur h GLU 316 Ca 0.38 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.08 2vur h GLU 316 Cb 0.59 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2vur h GLU 316 CO -0.81 -0.10 -0.13 0.93 -1.16 0.00 0.00 179.01 177.74 2vur h GLU 317 N -1.01 0.00 0.00 2.33 5.08 -1.25 -3.16 114.58 116.57 2vur h GLU 317 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2vur h GLU 317 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2vur h GLU 317 CO 0.07 0.13 -0.07 0.34 -1.00 0.00 0.00 179.01 178.47 2vur n PHE 318 N -3.21 0.00 -0.10 4.33 7.35 0.12 -4.57 117.46 121.38 2vur n PHE 318 Ca 0.01 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.63 2vur n PHE 318 Cb 0.44 -0.04 0.01 0.00 0.35 0.00 0.00 39.48 40.24 2vur n PHE 318 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2vur h VAL 319 N -0.07 0.96 -0.19 -2.13 2.07 -1.11 -0.94 116.25 114.84 2vur h VAL 319 Ca 0.00 -0.11 -0.15 0.00 0.82 0.00 0.00 66.70 67.26 2vur h VAL 319 Cb 0.07 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2vur h VAL 319 CO 0.00 0.06 -0.49 0.11 0.02 0.00 0.00 177.57 177.27 2vur h LYS 320 N 0.33 0.50 0.00 1.57 1.57 0.42 -3.07 116.57 117.90 2vur h LYS 320 Ca 0.15 -0.29 -0.12 0.00 -1.87 0.00 0.00 60.65 58.52 2vur h LYS 320 Cb 0.07 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2vur h LYS 320 CO -0.11 0.88 -0.55 0.00 -0.57 0.00 0.00 179.45 179.10 2vur h ALA 321 N 1.06 0.78 0.24 3.86 0.00 -1.40 -3.18 119.26 120.63 2vur h ALA 321 Ca 0.02 -0.50 -0.32 0.00 0.00 0.00 0.00 54.91 54.10 2vur h ALA 321 Cb 1.01 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.75 2vur h ALA 321 CO 0.09 0.69 -1.41 0.87 0.00 0.00 0.00 179.25 179.49 2vur h LYS 322 N 0.00 0.53 0.00 0.00 1.79 -1.25 -3.48 116.57 114.16 2vur h LYS 322 Ca -0.01 -0.90 0.00 0.00 -2.18 0.00 0.00 60.65 57.57 2vur h LYS 322 Cb 1.22 0.33 0.00 0.00 -1.58 0.00 0.00 32.23 32.20 2vur h LYS 322 CO 0.07 1.43 0.00 0.41 -1.08 0.00 0.00 179.45 180.28 2vur n GLY 323 N 1.69 3.05 0.27 3.86 0.00 -1.16 -4.71 105.19 108.19 2vur n GLY 323 Ca -0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.93 2vur n GLY 323 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2vur n ASP 324 N 0.15 2.65 -4.69 1.61 5.75 -1.26 -4.98 116.55 115.78 2vur n ASP 324 Ca 0.00 -2.78 -0.38 0.00 -0.01 0.00 0.00 54.79 51.62 2vur n ASP 324 Cb 0.00 -0.35 -0.06 0.00 -1.03 0.00 0.00 41.12 39.67 2vur n ASP 324 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2vur s VAL 325 N -2.35 5.17 0.94 2.12 1.01 -1.26 -4.87 120.40 121.15 2vur s VAL 325 Ca 0.27 0.90 -0.11 0.00 0.00 0.00 0.00 61.98 63.05 2vur s VAL 325 Cb 0.23 -3.81 0.16 0.00 0.00 0.00 0.00 36.38 32.96 2vur s VAL 325 CO 0.05 0.26 1.10 -0.54 0.00 0.00 0.00 175.10 175.97 2vur s LYS 326 N 1.07 0.84 0.47 2.72 1.02 0.02 -4.92 119.74 120.97 2vur s LYS 326 Ca 0.24 1.17 -0.22 0.00 0.02 0.00 0.00 55.97 57.19 2vur s LYS 326 Cb -0.15 -1.73 -0.10 0.00 -0.52 0.00 0.00 37.83 35.33 2vur s LYS 326 CO 0.09 -2.63 0.77 -2.30 -0.92 0.00 0.00 175.35 170.36 2vur n PRO 327 N -4.20 0.88 -2.31 -1.68 -0.02 -1.26 -4.78 135.00 121.64 2vur n PRO 327 Ca 0.08 0.32 -0.38 0.00 -2.02 0.00 0.00 63.50 61.50 2vur n PRO 327 Cb 0.53 -1.82 -0.02 0.00 -0.02 0.00 0.00 33.50 32.17 2vur n PRO 327 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2vur s LEU 328 N 0.23 4.23 -0.02 2.45 0.20 -1.26 -4.70 118.68 119.80 2vur s LEU 328 Ca 0.66 2.35 0.06 0.00 0.69 0.00 0.00 54.13 57.88 2vur s LEU 328 Cb -0.53 -3.98 -0.03 0.00 -0.43 0.00 0.00 46.19 41.22 2vur s LEU 328 CO 0.55 -0.62 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.18 2vur s ILE 329 N -1.39 2.72 0.05 6.68 1.01 -0.98 0.23 121.20 129.51 2vur s ILE 329 Ca 0.56 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 60.29 2vur s ILE 329 Cb -0.31 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 2vur s ILE 329 CO 0.39 0.54 -0.05 0.28 0.00 0.00 0.00 174.94 176.10 2vur s THR 330 N -0.74 0.38 -0.27 2.92 -1.32 0.03 -1.19 115.64 115.46 2vur s THR 330 Ca 0.12 -1.30 -0.02 0.00 -1.21 0.00 0.00 61.69 59.27 2vur s THR 330 Cb -0.10 -0.85 0.03 0.00 -1.51 0.00 0.00 72.50 70.07 2vur s THR 330 CO 0.01 -0.61 -0.03 -0.69 -2.21 0.00 0.00 174.62 171.09 2vur s VAL 331 N -2.23 3.03 0.64 5.08 1.01 -1.07 -1.54 120.40 125.31 2vur s VAL 331 Ca -0.05 -1.09 -0.14 0.00 0.00 0.00 0.00 61.98 60.70 2vur s VAL 331 Cb -0.04 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 2vur s VAL 331 CO -0.03 0.10 1.06 -2.16 0.00 0.00 0.00 175.10 174.07 2vur s PRO 332 N 1.32 3.16 0.28 2.72 0.04 -1.26 0.23 135.00 141.50 2vur s PRO 332 Ca -0.01 1.09 -0.01 0.00 0.04 0.00 0.00 61.00 62.10 2vur s PRO 332 Cb -0.18 -2.02 0.45 0.00 0.04 0.00 0.00 34.50 32.80 2vur s PRO 332 CO -0.03 -0.93 1.91 1.15 0.04 0.00 0.00 177.00 179.14 2vur h THR 333 N -0.06 1.10 -3.57 1.26 2.02 -1.89 -3.32 112.91 108.44 2vur h THR 333 Ca -0.45 -0.39 -0.67 0.00 0.77 0.00 0.00 66.41 65.67 2vur h THR 333 Cb 1.21 -0.13 -0.16 0.00 -1.74 0.00 0.00 68.15 67.33 2vur h THR 333 CO 0.57 0.21 -0.01 -1.61 0.37 0.00 0.00 175.52 175.05 2vur s GLU 334 N -5.98 3.24 0.00 6.66 2.02 -1.26 -4.81 118.70 118.56 2vur s GLU 334 Ca -0.12 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.38 2vur s GLU 334 Cb 0.20 -3.95 0.00 0.00 0.10 0.00 0.00 34.13 30.48 2vur s GLU 334 CO 0.81 -0.92 0.42 2.48 0.02 0.00 0.00 175.26 178.06 2vur n TYR 335 N 5.98 0.00 -4.36 1.61 4.11 -1.25 -4.77 117.16 118.49 2vur n TYR 335 Ca -0.04 -0.09 -0.23 0.00 -0.00 0.00 0.00 57.90 57.55 2vur n TYR 335 Cb 0.48 -0.01 -0.11 0.00 -0.00 0.00 0.00 39.34 39.70 2vur n TYR 335 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.86 177.02 2vur s ASP 336 N -0.17 2.85 0.29 9.48 1.47 -1.26 -0.68 116.67 128.65 2vur s ASP 336 Ca 0.00 -0.88 0.03 0.00 1.18 0.00 0.00 52.55 52.89 2vur s ASP 336 Cb 0.00 -0.18 0.64 0.00 -0.34 0.00 0.00 42.92 43.04 2vur s ASP 336 CO 0.00 -0.01 1.81 0.74 0.68 0.00 0.00 175.17 178.39 2vur h THR 337 N 3.16 0.83 -0.88 2.11 2.02 -1.16 -0.85 112.91 118.14 2vur h THR 337 Ca -0.43 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 66.47 2vur h THR 337 Cb 1.21 -0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 2vur h THR 337 CO 0.51 0.16 0.58 1.23 0.37 0.00 0.00 175.52 178.38 2vur h GLY 338 N 0.89 1.25 2.00 2.16 0.00 -1.82 0.12 103.07 107.67 2vur h GLY 338 Ca 0.53 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 47.28 2vur h GLY 338 CO -0.31 0.41 -0.64 0.00 0.00 0.00 0.00 176.54 176.00 2vur h ALA 339 N 1.47 0.75 0.01 3.60 0.00 -1.54 -3.37 119.26 120.19 2vur h ALA 339 Ca 0.34 -0.58 -0.30 0.00 0.00 0.00 0.00 54.91 54.37 2vur h ALA 339 Cb -0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2vur h ALA 339 CO -0.09 0.80 -1.74 -1.33 0.00 0.00 0.00 179.25 176.89 2vur n MET 340 N -3.49 0.64 -4.72 0.00 2.81 -0.57 -4.83 117.12 106.96 2vur n MET 340 Ca 0.00 0.29 -0.24 0.00 -1.81 0.00 0.00 57.70 55.94 2vur n MET 340 Cb 0.70 -1.79 -0.15 0.00 -0.71 0.00 0.00 33.22 31.28 2vur n MET 340 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2vur s VAL 341 N -2.59 1.44 -0.07 2.03 1.01 0.32 -0.96 120.40 121.57 2vur s VAL 341 Ca -0.06 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 2vur s VAL 341 Cb 0.08 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.26 2vur s VAL 341 CO 0.82 0.29 -0.01 -0.55 0.00 0.00 0.00 175.10 175.64 2vur s SER 342 N -0.74 1.58 -1.28 3.32 0.15 -0.21 -4.70 113.70 111.81 2vur s SER 342 Ca 0.06 -0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.56 2vur s SER 342 Cb -0.08 -0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 63.73 2vur s SER 342 CO 0.00 -0.16 0.67 0.59 1.20 0.00 0.00 173.24 175.54 2vur n ASN 343 N 4.97 -1.94 0.00 5.45 3.02 -1.26 -2.16 115.26 123.34 2vur n ASN 343 Ca -0.10 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 2vur n ASN 343 Cb 0.50 -3.81 0.00 0.00 -0.61 0.00 0.00 39.78 35.86 2vur n ASN 343 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vur n GLY 344 N -1.65 1.70 3.41 7.41 0.00 -1.26 -4.99 105.19 109.81 2vur n GLY 344 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2vur n GLY 344 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vur s GLN 345 N -0.09 1.84 0.45 1.61 -1.52 -0.92 -5.11 119.66 115.92 2vur s GLN 345 Ca 0.00 -1.11 -0.25 0.00 -1.95 0.00 0.00 55.36 52.05 2vur s GLN 345 Cb 0.00 -2.06 -0.08 0.00 -0.22 0.00 0.00 33.01 30.65 2vur s GLN 345 CO 0.00 0.51 1.36 -1.25 -0.25 0.00 0.00 175.29 175.66 2vur s PRO 346 N -1.55 3.72 0.97 2.91 0.04 -1.26 -1.05 135.00 138.78 2vur s PRO 346 Ca 0.14 2.28 -0.12 0.00 0.04 0.00 0.00 61.00 63.34 2vur s PRO 346 Cb -0.10 -2.63 0.17 0.00 0.04 0.00 0.00 34.50 31.97 2vur s PRO 346 CO 0.05 -0.73 1.09 1.03 0.04 0.00 0.00 177.00 178.47 2vur s ARG 347 N -2.44 0.69 0.18 4.56 0.52 -0.13 -4.67 118.95 117.66 2vur s ARG 347 Ca 0.61 0.70 -0.16 0.00 -0.52 0.00 0.00 55.73 56.36 2vur s ARG 347 Cb -0.41 -1.75 0.13 0.00 0.52 0.00 0.00 34.95 33.44 2vur s ARG 347 CO 0.52 -2.60 1.66 0.00 0.02 0.00 0.00 175.30 174.90 2vur h ALA 348 N -1.80 0.30 0.23 2.13 0.00 -1.95 0.11 119.26 118.28 2vur h ALA 348 Ca -0.53 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2vur h ALA 348 Cb 1.31 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2vur h ALA 348 CO 0.55 -0.44 -0.16 -0.92 0.00 0.00 0.00 179.25 178.28 2vur h TYR 349 N 0.00 -0.42 -0.56 0.00 3.20 -1.92 -1.30 116.97 115.96 2vur h TYR 349 Ca 0.22 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2vur h TYR 349 Cb 0.33 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 2vur h TYR 349 CO -0.39 -0.25 0.30 1.15 -1.64 0.00 0.00 178.16 177.33 2vur h THR 350 N -0.39 1.19 -0.74 1.81 2.02 -1.73 -0.42 112.91 114.64 2vur h THR 350 Ca -0.02 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2vur h THR 350 Cb 0.34 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 2vur h THR 350 CO 0.00 0.21 0.48 -0.09 0.37 0.00 0.00 175.52 176.49 2vur h ARG 351 N 0.76 0.99 -0.24 6.66 2.43 -0.82 0.16 114.38 124.32 2vur h ARG 351 Ca 0.20 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2vur h ARG 351 Cb 0.06 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2vur h ARG 351 CO -0.03 0.67 -0.11 0.82 -1.51 0.00 0.00 179.97 179.80 2vur h ILE 352 N 1.01 1.30 -0.26 1.20 2.04 -0.94 -2.73 117.51 119.13 2vur h ILE 352 Ca 0.27 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2vur h ILE 352 Cb -0.09 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2vur h ILE 352 CO -0.06 0.37 0.13 0.15 0.00 0.00 0.00 178.15 178.74 2vur h PHE 353 N 0.23 0.37 -0.22 1.37 3.57 -0.82 -1.37 116.94 120.07 2vur h PHE 353 Ca 0.05 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2vur h PHE 353 Cb 0.62 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2vur h PHE 353 CO 0.06 0.34 0.12 0.00 -2.23 0.00 0.00 178.31 176.60 2vur h ALA 354 N 0.99 1.80 0.00 2.41 0.00 -0.75 -0.24 119.26 123.47 2vur h ALA 354 Ca 0.09 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2vur h ALA 354 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2vur h ALA 354 CO -0.01 0.17 -0.61 1.49 0.00 0.00 0.00 179.25 180.29 2vur h GLU 355 N 0.30 0.00 0.00 0.00 4.22 -1.09 -3.38 114.58 114.63 2vur h GLU 355 Ca 0.08 0.00 -0.41 0.00 0.08 0.00 0.00 59.36 59.10 2vur h GLU 355 Cb 0.01 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 2vur h GLU 355 CO -0.01 0.32 -2.48 2.41 -2.18 0.00 0.00 179.01 177.06 2vur n THR 356 N -3.09 1.51 -1.70 0.32 -1.04 -0.57 -4.98 114.28 104.73 2vur n THR 356 Ca 0.00 -0.51 -0.43 0.00 -2.04 0.00 0.00 64.05 61.07 2vur n THR 356 Cb 0.69 -1.59 -0.03 0.00 -1.82 0.00 0.00 70.33 67.59 2vur n THR 356 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2vur n VAL 357 N -3.60 0.16 -1.53 12.58 3.14 -0.14 -4.91 118.33 124.03 2vur n VAL 357 Ca -0.48 -0.03 -0.44 0.00 -2.96 0.00 0.00 64.34 60.43 2vur n VAL 357 Cb 0.95 -1.94 -0.01 0.00 -1.06 0.00 0.00 33.84 31.78 2vur n VAL 357 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2vur n ASP 358 N 4.59 0.44 0.15 6.55 8.00 -1.26 -4.85 116.55 130.17 2vur n ASP 358 Ca 0.17 1.10 0.12 0.00 0.71 0.00 0.00 54.79 56.89 2vur n ASP 358 Cb 0.34 -1.21 0.54 0.00 -0.02 0.00 0.00 41.12 40.78 2vur n ASP 358 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2vur n PRO 359 N 0.67 0.19 0.04 -0.24 -0.02 -1.26 -2.34 135.00 132.03 2vur n PRO 359 Ca 0.11 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.24 2vur n PRO 359 Cb 0.33 -1.93 0.46 0.00 -0.02 0.00 0.00 33.50 32.34 2vur n PRO 359 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2vur n SER 360 N -2.29 0.38 -4.72 2.55 3.41 -1.26 -4.85 113.62 106.84 2vur n SER 360 Ca 0.01 0.37 -0.39 0.00 -0.26 0.00 0.00 58.87 58.60 2vur n SER 360 Cb 0.16 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.66 2vur n SER 360 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2vur s ILE 361 N -3.05 5.04 0.13 -1.33 1.01 -0.99 -4.39 121.20 117.62 2vur s ILE 361 Ca 0.12 1.40 -0.30 0.00 0.00 0.00 0.00 60.65 61.86 2vur s ILE 361 Cb 0.16 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.54 2vur s ILE 361 CO 0.59 0.27 1.23 -1.61 0.00 0.00 0.00 174.94 175.43 2vur s GLU 362 N 0.67 4.44 -0.20 2.79 0.41 0.13 -4.96 118.70 121.99 2vur s GLU 362 Ca 0.36 1.88 0.01 0.00 -0.41 0.00 0.00 54.97 56.82 2vur s GLU 362 Cb -0.18 -3.27 0.03 0.00 -1.78 0.00 0.00 34.13 28.93 2vur s GLU 362 CO 0.18 -0.21 -0.17 0.08 -0.49 0.00 0.00 175.26 174.65 2vur s VAL 363 N 0.50 2.12 0.22 2.63 1.01 -1.26 -0.79 120.40 124.83 2vur s VAL 363 Ca 0.57 -1.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 2vur s VAL 363 Cb -0.32 -1.98 -0.08 0.00 0.00 0.00 0.00 36.38 34.00 2vur s VAL 363 CO 0.33 0.40 0.72 -0.04 0.00 0.00 0.00 175.10 176.51 2vur s MET 364 N 1.25 4.23 0.11 2.72 1.00 -0.59 -1.41 119.30 126.61 2vur s MET 364 Ca 0.02 0.85 -0.11 0.00 0.00 0.00 0.00 55.69 56.44 2vur s MET 364 Cb -0.15 -2.87 0.01 0.00 0.00 0.00 0.00 34.83 31.83 2vur s MET 364 CO -0.11 0.39 0.27 1.67 0.00 0.00 0.00 175.02 177.25 2vur s TRP 365 N -1.54 0.04 -1.96 -0.03 -2.14 -0.25 -4.51 118.94 108.56 2vur s TRP 365 Ca 0.43 -0.42 0.18 0.00 2.66 0.00 0.00 56.10 58.95 2vur s TRP 365 Cb -0.16 0.06 0.33 0.00 -3.10 0.00 0.00 33.47 30.60 2vur s TRP 365 CO 0.21 -0.61 1.26 0.25 -2.66 0.00 0.00 176.95 175.40 2vur n THR 366 N -0.13 0.50 -0.08 0.66 -2.24 0.15 -1.16 114.28 111.98 2vur n THR 366 Ca -0.15 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 2vur n THR 366 Cb 0.63 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 2vur n THR 366 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vur n GLY 367 N 1.14 -1.74 0.41 3.38 0.00 -1.26 -4.64 105.19 102.48 2vur n GLY 367 Ca 0.15 -2.03 0.21 0.00 0.00 0.00 0.00 46.02 44.35 2vur n GLY 367 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2vur h PRO 368 N 0.00 0.21 -4.93 1.61 0.11 -1.95 -0.52 132.00 126.53 2vur h PRO 368 Ca 0.00 -0.01 -0.44 0.00 0.11 0.00 0.00 66.00 65.66 2vur h PRO 368 Cb 0.00 -0.05 -0.14 0.00 0.11 0.00 0.00 31.00 30.93 2vur h PRO 368 CO 0.00 0.14 -0.55 0.20 -0.21 0.00 0.00 178.00 177.58 2vur s GLY 369 N -3.90 2.16 0.08 -0.55 0.00 -1.26 -3.03 107.32 100.81 2vur s GLY 369 Ca -0.07 -1.71 -0.19 0.00 0.00 0.00 0.00 44.72 42.76 2vur s GLY 369 CO 0.77 -1.63 1.52 -2.08 0.00 0.00 0.00 173.10 171.68 2vur h VAL 370 N 2.14 1.25 -3.43 1.40 2.07 -1.87 -3.41 116.25 114.41 2vur h VAL 370 Ca -0.34 -0.87 -0.56 0.00 0.82 0.00 0.00 66.70 65.75 2vur h VAL 370 Cb 1.25 1.37 -0.39 0.00 -1.52 0.00 0.00 31.29 32.00 2vur h VAL 370 CO 0.53 0.27 -0.77 -0.69 0.02 0.00 0.00 177.57 176.93 2vur s VAL 371 N -5.02 0.95 0.15 2.57 1.01 -1.26 -4.42 120.40 114.38 2vur s VAL 371 Ca -0.14 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2vur s VAL 371 Cb 0.07 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2vur s VAL 371 CO 0.74 -0.17 0.01 0.42 0.00 0.00 0.00 175.10 176.10 2vur s THR 372 N 1.66 0.49 0.21 3.92 -4.23 -1.14 -2.99 115.64 113.55 2vur s THR 372 Ca -0.03 -1.94 -0.10 0.00 -1.18 0.00 0.00 61.69 58.44 2vur s THR 372 Cb -0.18 -2.02 0.14 0.00 1.34 0.00 0.00 72.50 71.78 2vur s THR 372 CO -0.07 -0.54 1.84 0.78 -0.54 0.00 0.00 174.62 176.08 2vur h ASN 373 N 2.80 0.68 -5.13 3.99 2.35 -1.85 -3.41 115.58 115.01 2vur h ASN 373 Ca -0.36 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.29 2vur h ASN 373 Cb 1.19 -0.14 -0.16 0.00 0.05 0.00 0.00 38.32 39.26 2vur h ASN 373 CO 0.62 0.47 -0.48 -1.61 -1.65 0.00 0.00 177.43 174.78 2vur s GLU 374 N -6.11 0.69 -0.35 0.81 2.02 -1.26 -4.23 118.70 110.26 2vur s GLU 374 Ca -0.13 -0.88 0.03 0.00 0.02 0.00 0.00 54.97 54.01 2vur s GLU 374 Cb 0.15 0.27 0.10 0.00 0.10 0.00 0.00 34.13 34.75 2vur s GLU 374 CO 0.77 -0.19 0.08 0.42 0.02 0.00 0.00 175.26 176.36 2vur s ILE 375 N -3.21 2.48 0.74 -1.63 1.01 -0.72 -4.37 121.20 115.51 2vur s ILE 375 Ca 0.00 -2.27 -0.11 0.00 0.00 0.00 0.00 60.65 58.27 2vur s ILE 375 Cb 0.02 -2.79 0.04 0.00 0.01 0.00 0.00 42.46 39.74 2vur s ILE 375 CO -0.07 -0.60 1.08 -2.84 0.00 0.00 0.00 174.94 172.50 2vur s PRO 376 N 0.95 2.53 0.29 2.79 0.02 -1.26 -1.45 135.00 138.87 2vur s PRO 376 Ca 0.10 0.87 -0.01 0.00 0.02 0.00 0.00 61.00 61.98 2vur s PRO 376 Cb -0.20 -1.95 0.47 0.00 0.02 0.00 0.00 34.50 32.84 2vur s PRO 376 CO -0.07 -1.37 1.93 1.25 -0.33 0.00 0.00 177.00 178.41 2vur h LEU 377 N -0.91 0.95 -1.52 -5.54 5.85 -1.96 -1.75 115.31 110.42 2vur h LEU 377 Ca -0.45 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2vur h LEU 377 Cb 1.23 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 2vur h LEU 377 CO 0.57 0.64 0.22 0.77 -0.34 0.00 0.00 178.44 180.30 2vur h SER 378 N 1.10 0.48 -0.16 1.25 4.64 -1.98 0.20 113.55 119.07 2vur h SER 378 Ca 0.37 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.61 2vur h SER 378 Cb 0.08 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2vur h SER 378 CO -0.12 0.39 -0.12 -0.78 -0.87 0.00 0.00 176.83 175.33 2vur h ASP 379 N 0.55 0.38 -0.28 4.97 3.58 -1.69 -1.59 116.42 122.34 2vur h ASP 379 Ca 0.14 -0.45 -0.08 0.00 0.42 0.00 0.00 57.03 57.07 2vur h ASP 379 Cb 0.01 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 2vur h ASP 379 CO -0.02 0.75 -0.07 0.00 -2.88 0.00 0.00 179.24 177.01 2vur h ALA 380 N 0.64 1.14 -0.12 -0.78 0.00 -1.40 -1.80 119.26 116.94 2vur h ALA 380 Ca 0.03 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2vur h ALA 380 Cb 0.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2vur h ALA 380 CO 0.03 0.55 0.03 0.37 0.00 0.00 0.00 179.25 180.23 2vur h GLN 381 N 0.62 0.08 0.01 0.00 4.15 -0.56 -0.82 115.11 118.60 2vur h GLN 381 Ca 0.12 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 2vur h GLN 381 Cb 0.49 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.17 2vur h GLN 381 CO 0.03 0.06 -0.01 1.25 -1.93 0.00 0.00 178.83 178.23 2vur h LEU 382 N 0.09 -0.02 -0.41 -2.39 5.85 -0.95 -0.09 115.31 117.39 2vur h LEU 382 Ca 0.05 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 2vur h LEU 382 Cb 0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2vur h LEU 382 CO -0.07 0.04 -0.21 0.40 -0.34 0.00 0.00 178.44 178.27 2vur h ILE 383 N -0.07 1.28 -0.64 4.05 1.08 -1.36 -2.20 117.51 119.65 2vur h ILE 383 Ca -0.00 -1.35 -0.05 0.00 -0.39 0.00 0.00 64.86 63.07 2vur h ILE 383 Cb 0.07 1.27 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 2vur h ILE 383 CO 0.00 0.45 0.21 -1.28 -0.69 0.00 0.00 178.15 176.84 2vur h SER 384 N 0.68 0.89 -0.33 1.72 0.87 -1.06 -1.80 113.55 114.52 2vur h SER 384 Ca 0.09 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 2vur h SER 384 Cb 0.77 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2vur h SER 384 CO 0.06 0.83 0.06 1.23 -0.53 0.00 0.00 176.83 178.49 2vur h GLY 385 N 1.03 0.57 0.47 5.77 0.00 -0.93 0.58 103.07 110.56 2vur h GLY 385 Ca 0.21 -0.37 0.09 0.00 0.00 0.00 0.00 47.33 47.26 2vur h GLY 385 CO -0.01 0.35 0.33 -2.22 0.00 0.00 0.00 176.54 174.98 2vur h ILE 386 N 0.37 0.84 -0.01 2.60 2.04 -1.08 -2.36 117.51 119.90 2vur h ILE 386 Ca 0.10 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2vur h ILE 386 Cb 0.33 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2vur h ILE 386 CO 0.00 0.10 -0.20 -1.22 0.00 0.00 0.00 178.15 176.84 2vur n TYR 387 N -4.89 0.00 -3.99 1.37 4.02 -0.70 -4.86 117.16 108.10 2vur n TYR 387 Ca 0.10 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.71 2vur n TYR 387 Cb 0.27 -0.07 -0.01 0.00 -0.02 0.00 0.00 39.34 39.51 2vur n TYR 387 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2vur n ASN 388 N -0.25 -1.91 -3.54 7.72 5.15 0.20 -4.94 115.26 117.70 2vur n ASN 388 Ca 0.14 -0.95 -0.08 0.00 -0.60 0.00 0.00 54.58 53.09 2vur n ASN 388 Cb 0.38 -3.21 -0.02 0.00 -0.53 0.00 0.00 39.78 36.40 2vur n ASN 388 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vur s ARG 389 N -6.61 0.84 0.27 1.20 1.70 -0.97 -5.04 118.95 110.34 2vur s ARG 389 Ca 0.31 -0.34 -0.30 0.00 -0.47 0.00 0.00 55.73 54.93 2vur s ARG 389 Cb -0.16 0.37 -0.10 0.00 -0.57 0.00 0.00 34.95 34.49 2vur s ARG 389 CO 0.88 -0.37 1.46 -0.80 -1.08 0.00 0.00 175.30 175.39 2vur s ASN 390 N -2.53 6.60 0.25 -2.89 -0.87 -1.26 -4.57 114.94 109.67 2vur s ASN 390 Ca 0.06 2.74 0.02 0.00 -1.57 0.00 0.00 52.86 54.12 2vur s ASN 390 Cb -0.01 -2.63 -0.03 0.00 -0.02 0.00 0.00 41.25 38.56 2vur s ASN 390 CO -0.08 -0.73 0.41 -0.04 -2.57 0.00 0.00 177.10 174.09 2vur s MET 391 N -0.64 3.47 -0.12 -0.60 -1.94 0.86 -4.75 119.30 115.57 2vur s MET 391 Ca 0.59 -0.54 -0.09 0.00 -1.71 0.00 0.00 55.69 53.94 2vur s MET 391 Cb -0.43 -2.83 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 2vur s MET 391 CO 0.46 0.36 0.18 0.00 -0.01 0.00 0.00 175.02 176.01 2vur s ALA 392 N -2.02 3.81 -0.17 3.03 0.00 -0.50 -2.65 121.76 123.26 2vur s ALA 392 Ca 0.37 -0.59 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 2vur s ALA 392 Cb -0.10 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 2vur s ALA 392 CO 0.31 0.49 0.07 0.08 0.00 0.00 0.00 175.76 176.71 2vur s VAL 393 N -0.70 4.88 -0.42 0.00 1.01 0.14 -1.09 120.40 124.21 2vur s VAL 393 Ca 0.15 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 2vur s VAL 393 Cb -0.12 -3.18 0.10 0.00 0.00 0.00 0.00 36.38 33.18 2vur s VAL 393 CO 0.04 0.49 0.24 0.86 0.00 0.00 0.00 175.10 176.73 2vur s TRP 394 N 0.11 3.47 -0.37 5.22 -0.11 -0.31 -1.20 118.94 125.76 2vur s TRP 394 Ca 0.06 -2.03 -0.14 0.00 1.22 0.00 0.00 56.10 55.20 2vur s TRP 394 Cb -0.12 -3.18 -0.00 0.00 -1.50 0.00 0.00 33.47 28.67 2vur s TRP 394 CO 0.00 -0.94 0.28 -0.46 -4.62 0.00 0.00 176.95 171.21 2vur s TRP 395 N 1.27 3.23 -1.49 5.86 -0.00 0.17 -4.12 118.94 123.87 2vur s TRP 395 Ca 0.05 -0.36 -0.09 0.00 -0.00 0.00 0.00 56.10 55.71 2vur s TRP 395 Cb -0.24 -2.55 -0.08 0.00 -0.00 0.00 0.00 33.47 30.61 2vur s TRP 395 CO -0.02 -0.47 2.79 0.09 -0.00 0.00 0.00 176.95 179.34 2vur n ASN 396 N 5.16 7.93 -3.65 5.86 3.02 -1.26 -0.65 115.26 131.67 2vur n ASN 396 Ca -0.12 -2.53 -0.09 0.00 -0.03 0.00 0.00 54.58 51.81 2vur n ASN 396 Cb 0.49 -1.47 -0.08 0.00 -0.61 0.00 0.00 39.78 38.11 2vur n ASN 396 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2vur s TYR 397 N 2.44 -0.92 -1.71 3.10 5.04 -1.23 -4.41 117.35 119.65 2vur s TYR 397 Ca 0.64 1.95 0.07 0.00 -2.44 0.00 0.00 57.07 57.28 2vur s TYR 397 Cb 0.16 0.49 0.23 0.00 0.35 0.00 0.00 41.96 43.19 2vur s TYR 397 CO -0.05 -0.46 1.12 -0.35 -1.34 0.00 0.00 175.55 174.47 2vur n PRO 398 N 3.85 1.75 -1.50 4.97 -0.04 -1.07 -4.26 135.00 138.70 2vur n PRO 398 Ca -0.19 -0.93 -0.50 0.00 -0.04 0.00 0.00 63.50 61.84 2vur n PRO 398 Cb 0.58 -1.32 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 2vur n PRO 398 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2vur n VAL 399 N 0.22 1.28 -0.89 0.52 3.14 0.11 -4.23 118.33 118.49 2vur n VAL 399 Ca 0.09 -0.32 0.03 0.00 -2.96 0.00 0.00 64.34 61.18 2vur n VAL 399 Cb 0.29 -0.37 0.05 0.00 -1.06 0.00 0.00 33.84 32.75 2vur n VAL 399 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2vur n THR 400 N 0.76 0.96 0.32 1.55 -2.24 -1.26 -4.86 114.28 109.51 2vur n THR 400 Ca 0.16 -1.09 0.19 0.00 -2.27 0.00 0.00 64.05 61.04 2vur n THR 400 Cb 0.22 0.33 1.01 0.00 -2.10 0.00 0.00 70.33 69.80 2vur n THR 400 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2vur h ASP 401 N 0.00 0.00 0.10 3.42 3.04 -1.90 -0.64 116.42 120.44 2vur h ASP 401 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2vur h ASP 401 Cb 0.92 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.21 2vur h ASP 401 CO 0.00 0.00 -0.51 0.00 -2.04 0.00 0.00 179.24 176.69 2vur n TYR 402 N -3.09 0.00 -2.79 4.15 0.18 -1.26 -4.56 117.16 109.79 2vur n TYR 402 Ca -0.02 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.66 2vur n TYR 402 Cb 0.23 -0.06 0.06 0.00 -0.38 0.00 0.00 39.34 39.19 2vur n TYR 402 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2vur n PHE 403 N -0.57 -2.85 0.25 -3.48 7.35 -0.30 -4.98 117.46 112.89 2vur n PHE 403 Ca 0.09 -2.09 0.14 0.00 -0.76 0.00 0.00 57.45 54.83 2vur n PHE 403 Cb 0.40 1.40 0.55 0.00 0.35 0.00 0.00 39.48 42.18 2vur n PHE 403 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2vur h LYS 404 N 3.56 0.00 0.00 -4.13 1.57 -1.67 -2.81 116.57 113.09 2vur h LYS 404 Ca -0.11 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2vur h LYS 404 Cb 1.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 2vur h LYS 404 CO 0.27 0.08 -0.01 0.78 -0.57 0.00 0.00 179.45 179.99 2vur h GLY 405 N 2.29 0.00 -5.17 3.86 0.00 -1.87 -3.43 103.07 98.76 2vur h GLY 405 Ca -0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 2vur h GLY 405 CO 0.01 0.00 -0.62 1.25 0.00 0.00 0.00 176.54 177.18 2vur s LYS 406 N -4.36 2.94 -0.11 4.80 2.20 -1.06 -1.08 119.74 123.07 2vur s LYS 406 Ca -0.05 -0.46 -0.15 0.00 -0.36 0.00 0.00 55.97 54.96 2vur s LYS 406 Cb 0.14 -2.77 -0.05 0.00 -1.51 0.00 0.00 37.83 33.64 2vur s LYS 406 CO 0.49 0.68 0.35 -0.51 -0.36 0.00 0.00 175.35 176.00 2vur s LEU 407 N -1.13 4.32 -0.48 5.43 1.43 -1.26 -4.87 118.68 122.11 2vur s LEU 407 Ca 0.16 0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 53.81 2vur s LEU 407 Cb -0.11 -2.48 0.10 0.00 0.03 0.00 0.00 46.19 43.73 2vur s LEU 407 CO 0.05 0.15 0.39 0.00 0.23 0.00 0.00 176.35 177.18 2vur s ALA 408 N 0.04 3.50 -0.15 4.21 0.00 -1.26 -4.47 121.76 123.63 2vur s ALA 408 Ca 0.20 -2.36 0.16 0.00 0.00 0.00 0.00 51.96 49.96 2vur s ALA 408 Cb -0.14 -3.00 0.29 0.00 0.00 0.00 0.00 23.12 20.27 2vur s ALA 408 CO 0.08 -1.85 1.18 1.28 0.00 0.00 0.00 175.76 176.44 2vur n LEU 409 N 5.09 2.59 -5.02 0.00 4.32 -0.10 -4.80 117.00 119.08 2vur n LEU 409 Ca -0.11 -2.90 -0.20 0.00 -0.02 0.00 0.00 56.01 52.78 2vur n LEU 409 Cb 0.42 -0.39 0.06 0.00 -1.62 0.00 0.00 43.42 41.89 2vur n LEU 409 CO 0.47 0.68 0.33 -0.83 -1.22 0.00 0.00 177.39 176.81 2vur s GLY 410 N -2.40 1.78 0.69 -0.72 0.00 -1.26 -4.76 107.32 100.65 2vur s GLY 410 Ca 0.29 -2.08 -0.09 0.00 0.00 0.00 0.00 44.72 42.84 2vur s GLY 410 CO 0.04 -1.72 1.03 2.56 0.00 0.00 0.00 173.10 175.01 2vur s PRO 411 N -4.65 2.54 0.04 2.90 0.04 -1.26 -4.19 135.00 130.43 2vur s PRO 411 Ca 0.59 0.08 -0.37 0.00 0.04 0.00 0.00 61.00 61.35 2vur s PRO 411 Cb -0.05 -2.12 -0.16 0.00 0.04 0.00 0.00 34.50 32.21 2vur s PRO 411 CO 0.37 -1.09 1.47 -1.33 0.04 0.00 0.00 177.00 176.46 2vur n MET 412 N -2.92 1.38 -3.71 4.56 2.81 -1.26 -4.73 117.12 113.26 2vur n MET 412 Ca 0.07 0.50 -0.11 0.00 -1.81 0.00 0.00 57.70 56.35 2vur n MET 412 Cb 0.59 -2.18 -0.11 0.00 -0.71 0.00 0.00 33.22 30.81 2vur n MET 412 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 2vur s HIS 413 N 1.16 -0.53 0.00 2.03 5.04 -1.26 -4.76 115.29 116.97 2vur s HIS 413 Ca 0.86 1.17 0.00 0.00 -1.54 0.00 0.00 55.06 55.55 2vur s HIS 413 Cb -0.91 0.21 0.00 0.00 0.04 0.00 0.00 32.58 31.93 2vur s HIS 413 CO 0.48 -0.30 0.00 0.41 -2.34 0.00 0.00 174.74 172.99 2vur n GLY 414 N 3.97 0.41 3.69 1.59 0.00 -1.26 -4.68 105.19 108.91 2vur n GLY 414 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 2vur n GLY 414 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vur s LEU 415 N 0.00 4.23 0.16 0.99 1.43 -1.26 -1.75 118.68 122.48 2vur s LEU 415 Ca 0.00 1.05 -0.32 0.00 -1.03 0.00 0.00 54.13 53.84 2vur s LEU 415 Cb 0.00 -3.04 -0.10 0.00 0.03 0.00 0.00 46.19 43.08 2vur s LEU 415 CO 0.00 -0.23 1.60 -0.62 0.23 0.00 0.00 176.35 177.34 2vur s ASP 416 N 1.00 6.56 0.00 2.29 -1.08 -0.53 -4.84 116.67 120.07 2vur s ASP 416 Ca 0.34 2.64 0.13 0.00 -0.52 0.00 0.00 52.55 55.14 2vur s ASP 416 Cb -0.17 -2.59 0.66 0.00 -1.46 0.00 0.00 42.92 39.36 2vur s ASP 416 CO 0.14 -0.85 1.29 0.29 0.52 0.00 0.00 175.17 176.56 2vur n LYS 417 N 4.14 0.22 -0.36 4.34 5.02 -1.26 -1.69 118.16 128.57 2vur n LYS 417 Ca 0.14 0.14 0.09 0.00 -2.02 0.00 0.00 58.31 56.66 2vur n LYS 417 Cb 0.38 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.15 2vur n LYS 417 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vur n GLY 418 N -0.22 2.82 0.34 0.72 0.00 -1.26 -4.43 105.19 103.16 2vur n GLY 418 Ca 0.07 -0.67 0.16 0.00 0.00 0.00 0.00 46.02 45.58 2vur n GLY 418 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2vur h LEU 419 N 3.11 0.00 -2.37 0.99 5.85 -1.70 -2.54 115.31 118.65 2vur h LEU 419 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2vur h LEU 419 Cb 1.04 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 2vur h LEU 419 CO 0.07 0.00 0.20 -0.55 -0.34 0.00 0.00 178.44 177.83 2vur h ASN 420 N 0.00 0.00 -0.65 1.25 -1.07 -1.85 -0.34 115.58 112.92 2vur h ASN 420 Ca 0.15 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.51 2vur h ASN 420 Cb 0.63 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.85 2vur h ASN 420 CO -0.00 0.00 0.38 1.56 0.07 0.00 0.00 177.43 179.44 2vur h GLN 421 N 0.00 0.91 -0.00 4.14 4.20 -1.86 -3.28 115.11 119.22 2vur h GLN 421 Ca 0.02 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2vur h GLN 421 Cb 0.43 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2vur h GLN 421 CO -0.00 0.66 -0.15 0.66 -0.67 0.00 0.00 178.83 179.33 2vur n TYR 422 N -4.39 0.00 -4.28 2.96 4.01 -0.36 -4.93 117.16 110.18 2vur n TYR 422 Ca 0.07 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.60 2vur n TYR 422 Cb 0.09 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.95 2vur n TYR 422 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2vur s VAL 423 N -1.10 0.69 -0.07 -0.72 1.01 -0.28 -0.10 120.40 119.82 2vur s VAL 423 Ca 0.05 -0.22 0.11 0.00 0.00 0.00 0.00 61.98 61.92 2vur s VAL 423 Cb 0.05 -0.68 0.18 0.00 0.00 0.00 0.00 36.38 35.93 2vur s VAL 423 CO 0.17 0.26 1.09 -0.67 0.00 0.00 0.00 175.10 175.95 2vur n ASP 424 N 3.96 1.30 -3.48 3.32 4.64 -1.08 -4.18 116.55 121.02 2vur n ASP 424 Ca -0.25 -2.63 -0.08 0.00 -1.38 0.00 0.00 54.79 50.45 2vur n ASP 424 Cb 0.51 -0.33 -0.08 0.00 -1.04 0.00 0.00 41.12 40.18 2vur n ASP 424 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 2vur s PHE 425 N -1.60 -0.87 -0.09 -0.67 5.99 -1.23 -2.81 117.98 116.70 2vur s PHE 425 Ca 0.19 1.22 0.01 0.00 0.00 0.00 0.00 56.93 58.35 2vur s PHE 425 Cb 0.17 0.19 0.02 0.00 0.00 0.00 0.00 43.02 43.40 2vur s PHE 425 CO 0.01 -0.62 -0.10 0.12 -0.00 0.00 0.00 175.22 174.63 2vur s PHE 426 N 2.60 1.46 0.08 10.12 5.36 0.00 0.25 117.98 137.86 2vur s PHE 426 Ca 0.07 -0.64 0.03 0.00 -0.96 0.00 0.00 56.93 55.43 2vur s PHE 426 Cb -0.14 -1.15 -0.03 0.00 -0.34 0.00 0.00 43.02 41.36 2vur s PHE 426 CO -0.15 -0.40 -0.09 0.95 -1.46 0.00 0.00 175.22 174.07 2vur s THR 427 N 1.20 0.81 0.08 0.12 -4.23 -0.34 -1.51 115.64 111.77 2vur s THR 427 Ca -0.05 -1.51 0.07 0.00 -1.18 0.00 0.00 61.69 59.03 2vur s THR 427 Cb -0.14 -1.19 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 2vur s THR 427 CO -0.03 -0.53 -0.14 0.68 -0.54 0.00 0.00 174.62 174.06 2vur s VAL 428 N -2.25 3.07 -0.37 2.29 -7.23 -0.56 -0.65 120.40 114.69 2vur s VAL 428 Ca 0.02 -1.26 -0.18 0.00 -1.81 0.00 0.00 61.98 58.75 2vur s VAL 428 Cb -0.04 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.53 2vur s VAL 428 CO -0.00 0.21 0.52 0.21 -0.31 0.00 0.00 175.10 175.72 2vur s ASN 429 N -1.87 6.29 0.55 4.85 2.47 0.18 -0.84 114.94 126.57 2vur s ASN 429 Ca 0.18 -0.18 -0.01 0.00 0.42 0.00 0.00 52.86 53.27 2vur s ASN 429 Cb -0.11 -2.27 0.05 0.00 -1.45 0.00 0.00 41.25 37.48 2vur s ASN 429 CO 0.09 -0.53 0.37 -0.81 -3.72 0.00 0.00 177.10 172.50 2vur n PRO 430 N 5.79 0.28 -2.32 0.43 -0.04 -1.26 -0.71 135.00 137.17 2vur n PRO 430 Ca -0.05 -0.96 -0.28 0.00 -0.04 0.00 0.00 63.50 62.16 2vur n PRO 430 Cb 0.49 -0.26 0.01 0.00 -0.04 0.00 0.00 33.50 33.69 2vur n PRO 430 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2vur s MET 431 N -3.43 3.41 0.63 0.54 -1.94 -1.26 -3.67 119.30 113.59 2vur s MET 431 Ca 0.24 0.35 0.32 0.00 -1.71 0.00 0.00 55.69 54.89 2vur s MET 431 Cb -0.01 -2.25 1.76 0.00 2.01 0.00 0.00 34.83 36.34 2vur s MET 431 CO 0.16 -0.45 2.06 1.05 -0.01 0.00 0.00 175.02 177.83 2vur h GLU 432 N -0.06 0.00 -5.59 2.03 4.11 -1.85 -3.35 114.58 109.87 2vur h GLU 432 Ca -0.46 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.34 2vur h GLU 432 Cb 1.21 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.33 2vur h GLU 432 CO 0.62 0.00 1.00 -1.01 0.07 0.00 0.00 179.01 179.68 2vur s HIS 433 N -4.36 2.75 0.18 2.06 3.76 -1.26 -4.67 115.29 113.75 2vur s HIS 433 Ca -0.04 -0.90 -0.11 0.00 -0.15 0.00 0.00 55.06 53.86 2vur s HIS 433 Cb 0.13 -4.45 0.10 0.00 1.11 0.00 0.00 32.58 29.47 2vur s HIS 433 CO 0.43 -1.72 1.74 0.00 -0.85 0.00 0.00 174.74 174.34 2vur h ALA 434 N 9.41 0.85 -0.04 -1.40 0.00 -1.98 -2.41 119.26 123.70 2vur h ALA 434 Ca 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2vur h ALA 434 Cb 1.03 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2vur h ALA 434 CO 1.24 0.47 -0.03 1.49 0.00 0.00 0.00 179.25 182.42 2vur h GLU 435 N 0.93 0.08 0.00 0.00 4.57 -1.90 -3.08 114.58 115.18 2vur h GLU 435 Ca 0.22 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2vur h GLU 435 Cb 0.21 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2vur h GLU 435 CO -0.02 0.51 0.00 1.28 -1.18 0.00 0.00 179.01 179.60 2vur n LEU 436 N -4.81 0.69 0.27 1.64 4.77 -1.23 -2.07 117.00 116.27 2vur n LEU 436 Ca -0.08 0.60 0.15 0.00 -0.03 0.00 0.00 56.01 56.65 2vur n LEU 436 Cb 0.25 -0.43 0.74 0.00 -2.33 0.00 0.00 43.42 41.66 2vur n LEU 436 CO 0.35 -0.32 0.98 0.28 -1.33 0.00 0.00 177.39 177.35 2vur h SER 437 N 0.00 0.00 -0.82 -1.43 0.02 -1.34 -3.16 113.55 106.82 2vur h SER 437 Ca 0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2vur h SER 437 Cb 0.57 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.06 2vur h SER 437 CO 0.00 0.10 0.54 0.11 -1.14 0.00 0.00 176.83 176.43 2vur h LYS 438 N 0.00 0.92 -0.15 3.45 1.57 -1.47 -0.68 116.57 120.22 2vur h LYS 438 Ca -0.00 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2vur h LYS 438 Cb 0.39 -0.21 -0.07 0.00 0.08 0.00 0.00 32.23 32.43 2vur h LYS 438 CO 0.01 0.61 -0.37 0.82 -0.57 0.00 0.00 179.45 179.96 2vur h ILE 439 N 0.95 0.21 -0.13 1.86 2.04 -1.76 0.25 117.51 120.94 2vur h ILE 439 Ca 0.34 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.98 2vur h ILE 439 Cb 0.14 0.21 0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2vur h ILE 439 CO -0.11 0.00 -0.78 -1.28 0.00 0.00 0.00 178.15 175.97 2vur h SER 440 N -0.43 0.86 -0.79 1.72 0.87 -1.67 -3.01 113.55 111.09 2vur h SER 440 Ca 0.09 -0.57 -0.02 0.00 -1.23 0.00 0.00 61.79 60.06 2vur h SER 440 Cb 0.59 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 2vur h SER 440 CO -0.39 1.36 0.42 0.40 -0.53 0.00 0.00 176.83 178.09 2vur h ILE 441 N 0.49 1.24 -0.61 2.23 2.04 -0.95 -1.08 117.51 120.87 2vur h ILE 441 Ca -0.05 -0.62 0.08 0.00 1.00 0.00 0.00 64.86 65.27 2vur h ILE 441 Cb 1.40 0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 2vur h ILE 441 CO 0.16 0.27 0.27 -0.74 0.00 0.00 0.00 178.15 178.11 2vur h HIS 442 N 1.12 0.47 -0.02 1.37 2.76 -0.42 -0.55 115.15 119.89 2vur h HIS 442 Ca 0.28 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.35 2vur h HIS 442 Cb 0.06 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 2vur h HIS 442 CO 0.01 0.17 -0.56 1.79 -1.30 0.00 0.00 177.93 178.03 2vur h THR 443 N 0.48 1.40 -0.40 6.26 1.35 -1.24 -2.62 112.91 118.15 2vur h THR 443 Ca 0.30 -1.93 -0.08 0.00 -0.55 0.00 0.00 66.41 64.14 2vur h THR 443 Cb 0.31 2.02 -0.02 0.00 -1.73 0.00 0.00 68.15 68.73 2vur h THR 443 CO -0.26 0.56 -0.10 0.00 -0.25 0.00 0.00 175.52 175.46 2vur h ALA 444 N 1.38 1.08 -0.79 6.62 0.00 -0.51 -1.13 119.26 125.91 2vur h ALA 444 Ca -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2vur h ALA 444 Cb 1.01 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2vur h ALA 444 CO 0.08 0.57 0.52 0.00 0.00 0.00 0.00 179.25 180.42 2vur h ALA 445 N 1.25 1.00 -0.26 0.00 0.00 -0.75 -1.02 119.26 119.48 2vur h ALA 445 Ca 0.11 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2vur h ALA 445 Cb 0.55 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2vur h ALA 445 CO 0.03 0.41 -0.11 0.22 0.00 0.00 0.00 179.25 179.81 2vur h ASP 446 N 1.06 0.54 -0.59 0.00 3.58 -1.28 -2.12 116.42 117.61 2vur h ASP 446 Ca 0.29 -0.40 0.01 0.00 0.42 0.00 0.00 57.03 57.35 2vur h ASP 446 Cb -0.12 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.75 2vur h ASP 446 CO -0.06 0.81 0.39 0.22 -2.88 0.00 0.00 179.24 177.72 2vur h TYR 447 N 0.26 0.74 0.00 0.28 3.20 -1.06 0.12 116.97 120.51 2vur h TYR 447 Ca 0.06 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 2vur h TYR 447 Cb 0.60 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 2vur h TYR 447 CO 0.06 0.46 -0.72 0.66 -1.64 0.00 0.00 178.16 176.98 2vur h SER 448 N 0.79 0.00 0.11 -2.11 4.64 -1.22 -2.92 113.55 112.83 2vur h SER 448 Ca 0.22 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.23 2vur h SER 448 Cb -0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2vur h SER 448 CO -0.05 0.16 -1.61 -0.25 -0.87 0.00 0.00 176.83 174.20 2vur h TRP 449 N 0.00 0.41 -2.60 4.77 2.91 -1.29 -2.38 115.95 117.77 2vur h TRP 449 Ca -0.03 -0.30 -0.60 0.00 1.13 0.00 0.00 58.89 59.09 2vur h TRP 449 Cb 1.15 -0.02 -0.40 0.00 -0.51 0.00 0.00 29.16 29.38 2vur h TRP 449 CO 0.00 1.63 -0.78 -1.71 -1.03 0.00 0.00 178.44 176.55 2vur n ASN 450 N -3.83 1.52 -0.04 2.65 2.85 0.41 -0.34 115.26 118.47 2vur n ASN 450 Ca -0.28 -2.88 -0.14 0.00 -0.11 0.00 0.00 54.58 51.17 2vur n ASN 450 Cb 0.93 -0.66 -0.02 0.00 1.24 0.00 0.00 39.78 41.27 2vur n ASN 450 CO 0.00 0.00 0.00 -0.03 -2.11 0.00 0.00 177.26 175.12 2vur h MET 451 N 5.19 0.77 -0.39 1.20 1.85 -1.67 -3.09 114.93 118.79 2vur h MET 451 Ca 0.19 -0.52 -0.04 0.00 -0.61 0.00 0.00 59.70 58.72 2vur h MET 451 Cb 0.81 0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.90 2vur h MET 451 CO 0.58 1.14 0.06 0.22 -0.40 0.00 0.00 176.91 178.51 2vur h ASP 452 N 0.57 0.54 -0.49 1.39 -0.00 -1.87 -2.79 116.42 113.77 2vur h ASP 452 Ca -0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 57.03 56.94 2vur h ASP 452 Cb 1.20 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 40.39 2vur h ASP 452 CO 0.13 0.57 0.00 0.59 -0.00 0.00 0.00 179.24 180.53 2vur n ASN 453 N -4.30 3.40 -4.73 2.28 3.02 -1.21 -4.98 115.26 108.73 2vur n ASN 453 Ca 0.02 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.18 2vur n ASN 453 Cb 0.22 -0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 2vur n ASN 453 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2vur s TYR 454 N -1.36 3.07 -0.19 3.10 5.04 -1.06 -4.98 117.35 120.97 2vur s TYR 454 Ca 0.41 0.87 -0.04 0.00 -2.44 0.00 0.00 57.07 55.88 2vur s TYR 454 Cb 0.23 -3.84 0.06 0.00 0.35 0.00 0.00 41.96 38.76 2vur s TYR 454 CO 0.31 -2.90 0.06 0.34 -1.34 0.00 0.00 175.55 172.02 2vur s ASP 455 N 0.74 2.77 0.32 4.32 3.68 -1.26 -5.05 116.67 122.18 2vur s ASP 455 Ca 0.64 -0.78 0.02 0.00 2.13 0.00 0.00 52.55 54.55 2vur s ASP 455 Cb -0.42 -0.48 0.52 0.00 -1.45 0.00 0.00 42.92 41.09 2vur s ASP 455 CO 0.37 -0.33 1.87 0.10 0.13 0.00 0.00 175.17 177.32 2vur h TYR 456 N 8.30 0.70 -0.19 -5.34 -0.00 -1.94 0.18 116.97 118.68 2vur h TYR 456 Ca -0.16 -0.06 -0.07 0.00 0.00 0.00 0.00 58.73 58.44 2vur h TYR 456 Cb 1.12 -0.21 -0.00 0.00 0.00 0.00 0.00 36.73 37.64 2vur h TYR 456 CO 0.24 0.60 -0.17 0.22 -0.00 0.00 0.00 178.16 179.06 2vur h ASP 457 N 0.66 0.48 -0.39 0.10 3.58 -1.96 -0.08 116.42 118.81 2vur h ASP 457 Ca 0.15 -0.46 -0.05 0.00 0.42 0.00 0.00 57.03 57.08 2vur h ASP 457 Cb 0.27 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2vur h ASP 457 CO -0.00 0.84 0.04 0.11 -2.88 0.00 0.00 179.24 177.36 2vur h LYS 458 N 0.12 0.65 -0.77 0.28 1.57 -1.86 -1.28 116.57 115.29 2vur h LYS 458 Ca 0.03 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2vur h LYS 458 Cb 0.70 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 2vur h LYS 458 CO 0.04 0.72 0.35 0.00 -0.57 0.00 0.00 179.45 180.00 2vur h ALA 459 N 0.90 1.17 -0.19 3.86 0.00 -0.66 -0.05 119.26 124.29 2vur h ALA 459 Ca 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2vur h ALA 459 Cb 0.40 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2vur h ALA 459 CO 0.01 0.62 0.07 2.35 0.00 0.00 0.00 179.25 182.30 2vur h TRP 460 N 1.09 0.30 -0.32 0.00 7.01 -0.77 -0.40 115.95 122.86 2vur h TRP 460 Ca 0.26 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.26 2vur h TRP 460 Cb 0.14 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.09 2vur h TRP 460 CO 0.01 0.36 0.16 -0.91 -2.79 0.00 0.00 178.44 175.27 2vur h ASN 461 N 0.15 0.23 -0.65 2.65 2.35 -1.08 -2.64 115.58 116.59 2vur h ASN 461 Ca 0.06 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2vur h ASN 461 Cb 0.20 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 2vur h ASN 461 CO -0.00 0.17 0.41 -0.09 -1.65 0.00 0.00 177.43 176.27 2vur h ARG 462 N 0.33 0.87 -0.61 0.81 2.43 -0.87 -0.14 114.38 117.19 2vur h ARG 462 Ca 0.13 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2vur h ARG 462 Cb 0.05 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 2vur h ARG 462 CO -0.10 0.60 0.35 0.00 -1.51 0.00 0.00 179.97 179.32 2vur h ALA 463 N 1.22 0.80 -0.13 2.80 0.00 -0.92 0.13 119.26 123.16 2vur h ALA 463 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.93 2vur h ALA 463 Cb -0.06 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.58 2vur h ALA 463 CO -0.05 0.06 -0.77 0.82 0.00 0.00 0.00 179.25 179.31 2vur h ILE 464 N 0.68 1.31 -0.10 0.00 2.04 -1.24 -1.37 117.51 118.83 2vur h ILE 464 Ca 0.26 -2.03 0.03 0.00 1.00 0.00 0.00 64.86 64.12 2vur h ILE 464 Cb 0.09 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 2vur h ILE 464 CO -0.14 0.63 -0.10 0.44 0.00 0.00 0.00 178.15 178.98 2vur h ASP 465 N 0.46 -0.32 1.17 1.72 3.32 -0.73 -0.65 116.42 121.38 2vur h ASP 465 Ca -0.05 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2vur h ASP 465 Cb 1.38 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 41.08 2vur h ASP 465 CO 0.15 -0.14 -0.14 0.24 -1.72 0.00 0.00 179.24 177.63 2vur h MET 466 N -0.13 0.00 0.01 3.56 2.86 -0.67 -3.11 114.93 117.45 2vur h MET 466 Ca 0.07 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.35 2vur h MET 466 Cb 0.23 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.83 2vur h MET 466 CO -0.18 0.14 -2.26 1.28 1.06 0.00 0.00 176.91 176.95 2vur n LEU 467 N -3.24 0.78 -0.00 1.22 4.77 -0.52 -4.67 117.00 115.34 2vur n LEU 467 Ca 0.01 0.06 0.05 0.00 -0.03 0.00 0.00 56.01 56.10 2vur n LEU 467 Cb 0.43 0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.59 2vur n LEU 467 CO 0.32 0.57 -0.02 -1.22 -1.33 0.00 0.00 177.39 175.71 2vur n TYR 468 N -2.92 0.00 0.00 -1.77 4.02 -0.26 -5.06 117.16 111.17 2vur n TYR 468 Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.57 2vur n TYR 468 Cb 1.11 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.43 2vur n TYR 468 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2vur n GLY 469 N 1.24 3.87 0.21 2.72 0.00 -1.17 -1.34 105.19 110.72 2vur n GLY 469 Ca 0.02 0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.37 2vur n GLY 469 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vur h ASP 470 N 0.00 0.00 -0.17 1.61 3.32 -1.96 -1.80 116.42 117.42 2vur h ASP 470 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2vur h ASP 470 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2vur h ASP 470 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 2vur n LEU 471 N -2.64 2.17 -0.11 1.55 4.77 -0.45 -4.60 117.00 117.69 2vur n LEU 471 Ca 0.01 -0.86 -0.05 0.00 -0.03 0.00 0.00 56.01 55.07 2vur n LEU 471 Cb 0.23 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 2vur n LEU 471 CO 0.22 0.43 0.84 0.00 -1.33 0.00 0.00 177.39 177.55 2vur h ALA 472 N 4.28 0.31 -0.60 -1.18 0.00 -1.35 0.86 119.26 121.59 2vur h ALA 472 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2vur h ALA 472 Cb 0.66 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2vur h ALA 472 CO 0.00 -0.41 -0.03 0.93 0.00 0.00 0.00 179.25 179.74 2vur h GLU 473 N 0.08 1.07 -0.57 0.00 4.39 -1.82 0.75 114.58 118.49 2vur h GLU 473 Ca 0.18 -0.36 -0.09 0.00 0.34 0.00 0.00 59.36 59.43 2vur h GLU 473 Cb 0.25 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2vur h GLU 473 CO -0.32 1.06 -0.01 -0.44 -1.16 0.00 0.00 179.01 178.15 2vur h ASP 474 N 0.97 0.98 -0.31 1.42 3.32 -1.79 -2.71 116.42 118.28 2vur h ASP 474 Ca 0.17 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 2vur h ASP 474 Cb 0.60 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2vur h ASP 474 CO 0.04 1.04 -0.15 -0.03 -1.72 0.00 0.00 179.24 178.41 2vur h MET 475 N 0.91 0.76 -0.84 3.56 4.05 -0.41 -2.24 114.93 120.72 2vur h MET 475 Ca 0.16 -0.27 0.06 0.00 -0.28 0.00 0.00 59.70 59.38 2vur h MET 475 Cb 0.55 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.23 2vur h MET 475 CO 0.03 0.87 0.52 0.87 0.23 0.00 0.00 176.91 179.43 2vur h LYS 476 N 0.68 0.92 -0.44 0.39 1.57 -0.78 0.17 116.57 119.07 2vur h LYS 476 Ca 0.11 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2vur h LYS 476 Cb 0.63 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2vur h LYS 476 CO 0.04 0.61 0.26 0.28 -0.57 0.00 0.00 179.45 180.07 2vur h VAL 477 N 0.95 1.03 0.41 0.50 2.07 -1.08 -0.68 116.25 119.45 2vur h VAL 477 Ca 0.37 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 2vur h VAL 477 Cb 0.17 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2vur h VAL 477 CO -0.17 0.09 -0.19 0.15 0.02 0.00 0.00 177.57 177.46 2vur h PHE 478 N 0.51 -0.50 -0.73 1.57 3.57 -1.29 -3.31 116.94 116.77 2vur h PHE 478 Ca 0.18 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.73 2vur h PHE 478 Cb 0.02 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 2vur h PHE 478 CO -0.07 -0.19 0.48 0.00 -2.23 0.00 0.00 178.31 176.29 2vur h ALA 479 N -0.72 1.69 -0.68 2.41 0.00 -0.65 -1.81 119.26 119.51 2vur h ALA 479 Ca -0.06 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.03 2vur h ALA 479 Cb 0.54 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2vur h ALA 479 CO 0.09 0.20 0.56 -0.97 0.00 0.00 0.00 179.25 179.13 2vur h ASN 480 N 0.77 0.00 -0.24 0.00 -1.24 -1.20 0.66 115.58 114.33 2vur h ASN 480 Ca 0.31 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.32 2vur h ASN 480 Cb 0.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.30 2vur h ASN 480 CO -0.10 0.00 0.00 1.41 -1.29 0.00 0.00 177.43 177.45 2vur n HIS 481 N -4.04 0.31 -2.77 0.67 8.25 -0.68 -0.61 115.22 116.36 2vur n HIS 481 Ca 0.14 -0.15 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 2vur n HIS 481 Cb 0.82 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.96 2vur n HIS 481 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2vur n SER 482 N 0.47 0.71 -0.03 0.41 2.88 0.22 -1.71 113.62 116.57 2vur n SER 482 Ca 0.15 -2.77 -0.01 0.00 -1.33 0.00 0.00 58.87 54.91 2vur n SER 482 Cb 0.34 -0.23 -0.07 0.00 -0.75 0.00 0.00 64.21 63.51 2vur n SER 482 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2vur n THR 483 N -0.05 0.34 -3.35 2.46 -2.24 -1.25 -0.93 114.28 109.26 2vur n THR 483 Ca 0.10 -0.29 -0.39 0.00 -2.27 0.00 0.00 64.05 61.21 2vur n THR 483 Cb 0.79 -0.36 -0.08 0.00 -2.10 0.00 0.00 70.33 68.58 2vur n THR 483 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2vur s ARG 484 N -2.35 4.13 -0.12 -0.78 6.06 -1.07 -4.06 118.95 120.75 2vur s ARG 484 Ca -0.04 0.21 -0.03 0.00 -2.50 0.00 0.00 55.73 53.38 2vur s ARG 484 Cb 0.04 -3.58 -0.03 0.00 0.06 0.00 0.00 34.95 31.44 2vur s ARG 484 CO 0.34 -0.14 -0.02 -1.64 -2.50 0.00 0.00 175.30 171.34 2vur s MET 485 N 1.63 3.36 -0.30 5.12 -1.94 0.53 -4.93 119.30 122.77 2vur s MET 485 Ca 0.19 -0.48 -0.08 0.00 -1.71 0.00 0.00 55.69 53.61 2vur s MET 485 Cb -0.15 -2.85 0.18 0.00 2.01 0.00 0.00 34.83 34.02 2vur s MET 485 CO 0.09 0.44 0.86 0.34 -0.01 0.00 0.00 175.02 176.73 2vur s ASP 486 N -0.16 -0.85 0.00 3.03 -1.08 -1.26 -1.11 116.67 115.24 2vur s ASP 486 Ca 0.04 0.60 0.20 0.00 -0.52 0.00 0.00 52.55 52.87 2vur s ASP 486 Cb -0.13 1.74 0.81 0.00 -1.46 0.00 0.00 42.92 43.88 2vur s ASP 486 CO 0.02 -0.16 1.57 -0.46 0.52 0.00 0.00 175.17 176.66 2vur n ASN 487 N 5.42 1.33 0.00 -0.34 6.94 -0.32 -4.94 115.26 123.35 2vur n ASN 487 Ca -0.05 -1.66 0.00 0.00 -0.02 0.00 0.00 54.58 52.85 2vur n ASN 487 Cb 0.52 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 2vur n ASN 487 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2vur n LYS 488 N 0.10 0.00 0.00 -3.83 4.76 -1.26 -4.84 118.16 113.09 2vur n LYS 488 Ca 0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2vur n LYS 488 Cb 0.27 -2.31 0.00 0.00 -1.84 0.00 0.00 35.03 31.15 2vur n LYS 488 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2vur n THR 489 N -2.00 0.00 0.57 -0.18 -2.24 -1.26 -5.00 114.28 104.16 2vur n THR 489 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2vur n THR 489 Cb 0.00 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.36 2vur n THR 489 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2vur n TRP 490 N 0.00 0.48 -4.11 4.78 4.27 -1.26 -4.87 117.44 116.72 2vur n TRP 490 Ca 0.00 0.14 -0.33 0.00 -3.89 0.00 0.00 57.50 53.42 2vur n TRP 490 Cb 0.00 -0.60 -0.16 0.00 -1.36 0.00 0.00 31.31 29.19 2vur n TRP 490 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2vur s ALA 491 N -3.18 2.37 -0.13 -1.67 0.00 -1.26 -4.65 121.76 113.24 2vur s ALA 491 Ca 0.05 -1.28 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 2vur s ALA 491 Cb 0.14 -1.24 0.06 0.00 0.00 0.00 0.00 23.12 22.07 2vur s ALA 491 CO 0.74 -0.44 0.29 0.15 0.00 0.00 0.00 175.76 176.50 2vur s LYS 492 N 1.28 0.23 0.01 0.00 1.02 -1.16 -1.17 119.74 119.95 2vur s LYS 492 Ca 0.04 0.67 -0.28 0.00 0.02 0.00 0.00 55.97 56.42 2vur s LYS 492 Cb -0.14 -0.05 0.09 0.00 -0.52 0.00 0.00 37.83 37.21 2vur s LYS 492 CO -0.12 -0.20 0.80 0.45 -0.92 0.00 0.00 175.35 175.36 2vur s SER 493 N 1.71 -0.45 0.00 2.83 0.15 -0.27 -2.34 113.70 115.33 2vur s SER 493 Ca -0.06 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2vur s SER 493 Cb -0.11 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2vur s SER 493 CO -0.10 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.28 2vur n GLY 494 N -0.04 2.52 3.77 9.45 0.00 -1.26 -0.35 105.19 119.29 2vur n GLY 494 Ca -0.12 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 2vur n GLY 494 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2vur s ARG 495 N -2.65 3.97 0.43 1.61 3.52 -1.26 -4.77 118.95 119.80 2vur s ARG 495 Ca 0.00 2.37 -0.24 0.00 -0.13 0.00 0.00 55.73 57.72 2vur s ARG 495 Cb 0.00 -2.83 -0.10 0.00 -1.56 0.00 0.00 34.95 30.46 2vur s ARG 495 CO 0.00 -0.57 1.10 0.39 -0.81 0.00 0.00 175.30 175.41 2vur n GLU 496 N 0.21 1.52 -1.73 5.12 -0.58 -1.26 -2.60 120.64 121.32 2vur n GLU 496 Ca 0.03 0.55 -0.38 0.00 -0.42 0.00 0.00 57.16 56.93 2vur n GLU 496 Cb 0.41 -2.17 0.05 0.00 -0.57 0.00 0.00 31.44 29.16 2vur n GLU 496 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2vur n ASP 497 N 0.32 2.42 -3.29 1.62 8.00 -1.26 -4.32 116.55 120.04 2vur n ASP 497 Ca 0.09 0.94 -0.05 0.00 0.71 0.00 0.00 54.79 56.48 2vur n ASP 497 Cb 0.40 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 39.94 2vur n ASP 497 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vur n ALA 498 N -1.25 -1.22 -0.28 2.24 0.00 0.22 -4.83 120.51 115.40 2vur n ALA 498 Ca 0.12 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.52 2vur n ALA 498 Cb 0.45 -0.23 0.15 0.00 0.00 0.00 0.00 19.45 19.83 2vur n ALA 498 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2vur h PRO 499 N 1.69 0.73 -0.27 0.00 0.11 -1.88 -0.70 132.00 131.69 2vur h PRO 499 Ca -0.09 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.95 2vur h PRO 499 Cb 0.18 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 2vur h PRO 499 CO 0.06 0.48 0.06 0.93 -0.21 0.00 0.00 178.00 179.32 2vur h GLU 500 N 0.75 0.44 -0.12 1.05 3.07 -1.97 0.07 114.58 117.86 2vur h GLU 500 Ca 0.38 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 59.12 2vur h GLU 500 Cb 0.33 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2vur h GLU 500 CO -0.24 0.54 0.04 1.25 -1.40 0.00 0.00 179.01 179.20 2vur h LEU 501 N 0.27 0.17 -1.02 1.33 5.85 -1.87 -1.28 115.31 118.76 2vur h LEU 501 Ca 0.08 -0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.77 2vur h LEU 501 Cb 0.30 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.20 2vur h LEU 501 CO 0.00 0.31 0.63 -0.09 -0.34 0.00 0.00 178.44 178.95 2vur h ARG 502 N 0.03 0.89 -0.24 1.25 9.65 -1.02 -0.56 114.38 124.38 2vur h ARG 502 Ca 0.04 -0.05 -0.13 0.00 -1.10 0.00 0.00 59.98 58.73 2vur h ARG 502 Cb 0.19 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 2vur h ARG 502 CO -0.00 0.59 -0.40 0.00 2.80 0.00 0.00 179.97 182.95 2vur h ALA 503 N 1.58 0.86 -0.69 2.80 0.00 -0.57 -2.07 119.26 121.16 2vur h ALA 503 Ca 0.52 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2vur h ALA 503 Cb 0.63 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2vur h ALA 503 CO -0.30 0.64 0.15 0.87 0.00 0.00 0.00 179.25 180.61 2vur h LYS 504 N 0.46 1.11 -0.55 0.00 1.57 -0.22 -1.99 116.57 116.95 2vur h LYS 504 Ca 0.04 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 2vur h LYS 504 Cb 0.90 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 2vur h LYS 504 CO 0.08 0.99 0.21 0.52 -0.57 0.00 0.00 179.45 180.68 2vur h MET 505 N 1.05 0.82 -0.63 3.15 2.86 -0.95 -1.69 114.93 119.54 2vur h MET 505 Ca 0.22 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2vur h MET 505 Cb 0.39 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 2vur h MET 505 CO 0.01 0.72 0.38 -0.44 1.06 0.00 0.00 176.91 178.64 2vur h ASP 506 N 0.75 0.61 0.12 1.22 3.32 -1.25 -1.99 116.42 119.20 2vur h ASP 506 Ca 0.18 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 2vur h ASP 506 Cb 0.21 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2vur h ASP 506 CO -0.01 0.41 -0.19 -0.08 -1.72 0.00 0.00 179.24 177.65 2vur h GLU 507 N 0.74 0.14 0.25 3.56 4.57 -1.17 -1.44 114.58 121.23 2vur h GLU 507 Ca 0.26 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 2vur h GLU 507 Cb 0.06 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2vur h GLU 507 CO -0.12 0.34 -0.12 1.25 -1.18 0.00 0.00 179.01 179.17 2vur h LEU 508 N 0.14 -0.29 -0.75 1.64 5.85 -0.56 -0.51 115.31 120.83 2vur h LEU 508 Ca 0.03 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2vur h LEU 508 Cb 0.43 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 2vur h LEU 508 CO 0.03 -0.21 0.43 -0.50 -0.34 0.00 0.00 178.44 177.85 2vur h TRP 509 N -0.34 1.01 -0.46 1.25 -0.00 -1.24 -0.25 115.95 115.92 2vur h TRP 509 Ca -0.03 -0.01 0.03 0.00 -0.00 0.00 0.00 58.89 58.87 2vur h TRP 509 Cb 0.26 -0.33 -0.04 0.00 -0.00 0.00 0.00 29.16 29.06 2vur h TRP 509 CO -0.06 0.70 0.24 -0.91 -0.00 0.00 0.00 178.44 178.41 2vur h ASN 510 N 1.03 0.37 -0.13 -3.49 -0.26 -1.07 -0.48 115.58 111.55 2vur h ASN 510 Ca 0.27 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 56.01 2vur h ASN 510 Cb 0.00 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.20 2vur h ASN 510 CO -0.05 0.26 0.02 0.11 -1.06 0.00 0.00 177.43 176.72 2vur h LYS 511 N 0.49 0.21 -0.40 0.81 1.57 -0.64 -2.20 116.57 116.41 2vur h LYS 511 Ca 0.19 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2vur h LYS 511 Cb 0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2vur h LYS 511 CO -0.12 0.40 0.14 -0.07 -0.57 0.00 0.00 179.45 179.23 2vur h LEU 512 N -0.01 0.57 -1.80 2.94 3.38 -0.89 0.19 115.31 119.68 2vur h LEU 512 Ca 0.04 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2vur h LEU 512 Cb 0.29 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2vur h LEU 512 CO 0.00 0.61 0.00 0.77 0.09 0.00 0.00 178.44 179.91 2vur h SER 513 N 0.50 0.00 -0.12 -0.43 4.64 -1.15 -2.11 113.55 114.88 2vur h SER 513 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2vur h SER 513 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2vur h SER 513 CO -0.01 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.75 2vur n SER 514 N -2.97 2.24 -3.23 4.97 7.64 -0.83 -4.93 113.62 116.52 2vur n SER 514 Ca -0.00 -1.76 -0.23 0.00 1.01 0.00 0.00 58.87 57.89 2vur n SER 514 Cb 0.22 -0.07 0.02 0.00 -1.01 0.00 0.00 64.21 63.37 2vur n SER 514 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2vur n LYS 515 N 0.73 -4.27 -3.26 1.43 5.02 -0.79 -5.00 118.16 112.02 2vur n LYS 515 Ca 0.17 0.69 -0.36 0.00 -2.02 0.00 0.00 58.31 56.79 2vur n LYS 515 Cb 0.45 -5.48 -0.06 0.00 -0.02 0.00 0.00 35.03 29.92 2vur n LYS 515 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2vur s GLU 516 N -5.90 4.09 0.06 1.97 2.02 0.60 -5.02 118.70 116.53 2vur s GLU 516 Ca 0.37 0.64 -0.30 0.00 0.02 0.00 0.00 54.97 55.70 2vur s GLU 516 Cb -0.18 -2.92 -0.10 0.00 0.10 0.00 0.00 34.13 31.03 2vur s GLU 516 CO 0.45 0.45 1.94 -3.47 0.02 0.00 0.00 175.26 174.66 2vur n ASP 517 N 0.81 4.15 -0.70 -0.19 -0.08 -1.26 -4.36 116.55 114.91 2vur n ASP 517 Ca -0.04 0.93 0.06 0.00 -1.51 0.00 0.00 54.79 54.23 2vur n ASP 517 Cb 0.51 -1.53 0.16 0.00 2.34 0.00 0.00 41.12 42.60 2vur n ASP 517 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2vur n ALA 518 N 6.98 2.26 -0.22 -1.67 0.00 -1.26 -4.75 120.51 121.85 2vur n ALA 518 Ca 0.19 -1.06 0.02 0.00 0.00 0.00 0.00 53.44 52.60 2vur n ALA 518 Cb 0.40 -0.49 0.13 0.00 0.00 0.00 0.00 19.45 19.48 2vur n ALA 518 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2vur h SER 519 N 2.39 -0.16 -0.28 0.00 0.02 -1.99 0.09 113.55 113.62 2vur h SER 519 Ca 0.00 0.15 -0.16 0.00 -0.84 0.00 0.00 61.79 60.94 2vur h SER 519 Cb 0.73 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 2vur h SER 519 CO 0.00 -0.08 -0.44 0.00 -1.14 0.00 0.00 176.83 175.17 2vur h ALA 520 N 1.57 0.44 -0.61 3.77 0.00 -2.00 -1.98 119.26 120.46 2vur h ALA 520 Ca 0.35 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2vur h ALA 520 Cb 0.58 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2vur h ALA 520 CO -0.51 0.57 0.11 1.25 0.00 0.00 0.00 179.25 180.67 2vur h LEU 521 N 0.56 0.92 -0.28 0.00 5.85 -1.69 -1.11 115.31 119.56 2vur h LEU 521 Ca 0.03 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2vur h LEU 521 Cb 1.04 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2vur h LEU 521 CO 0.10 0.92 0.17 0.40 -0.34 0.00 0.00 178.44 179.69 2vur h ILE 522 N 0.92 1.10 -0.75 4.05 2.04 -0.93 0.33 117.51 124.26 2vur h ILE 522 Ca 0.19 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.81 2vur h ILE 522 Cb 0.39 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2vur h ILE 522 CO 0.01 0.10 0.50 -0.08 0.00 0.00 0.00 178.15 178.68 2vur h GLU 523 N 0.36 0.98 -0.54 2.37 4.57 -1.10 -0.56 114.58 120.66 2vur h GLU 523 Ca 0.10 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 2vur h GLU 523 Cb 0.02 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.36 2vur h GLU 523 CO -0.02 0.65 0.34 1.49 -1.18 0.00 0.00 179.01 180.29 2vur h GLU 524 N 1.01 0.67 -0.40 1.92 4.81 -0.79 -2.32 114.58 119.47 2vur h GLU 524 Ca 0.28 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.35 2vur h GLU 524 Cb -0.09 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 2vur h GLU 524 CO -0.07 0.44 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.35 2vur h LEU 525 N 0.69 0.83 -1.02 1.64 3.38 -0.46 -1.26 115.31 119.11 2vur h LEU 525 Ca 0.21 -0.31 0.17 0.00 0.09 0.00 0.00 57.88 58.04 2vur h LEU 525 Cb -0.03 -0.23 -0.10 0.00 0.09 0.00 0.00 40.66 40.39 2vur h LEU 525 CO -0.07 1.03 0.62 1.88 0.09 0.00 0.00 178.44 181.99 2vur h TYR 526 N 0.71 1.09 -0.37 1.13 0.99 -0.89 -1.02 116.97 118.60 2vur h TYR 526 Ca 0.09 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.85 2vur h TYR 526 Cb 0.76 -0.33 -0.02 0.00 1.00 0.00 0.00 36.73 38.14 2vur h TYR 526 CO 0.04 0.31 0.19 0.78 -0.00 0.00 0.00 178.16 179.48 2vur h GLY 527 N 0.84 0.57 1.01 3.88 0.00 -0.71 -1.49 103.07 107.17 2vur h GLY 527 Ca 0.55 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2vur h GLY 527 CO -0.34 0.26 0.50 -2.09 0.00 0.00 0.00 176.54 174.87 2vur h GLU 528 N 0.46 1.03 0.03 4.80 4.57 -0.75 -0.85 114.58 123.86 2vur h GLU 528 Ca 0.13 -0.07 -0.24 0.00 -1.18 0.00 0.00 59.36 57.99 2vur h GLU 528 Cb 0.10 -0.23 0.01 0.00 -0.16 0.00 0.00 28.75 28.47 2vur h GLU 528 CO -0.02 0.69 -1.02 0.74 -1.18 0.00 0.00 179.01 178.23 2vur h PHE 529 N 1.05 0.69 -0.61 0.92 0.04 -1.09 -1.79 116.94 116.16 2vur h PHE 529 Ca 0.28 -0.40 -0.07 0.00 2.80 0.00 0.00 57.97 60.58 2vur h PHE 529 Cb -0.10 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 2vur h PHE 529 CO -0.02 1.23 0.09 0.00 -0.60 0.00 0.00 178.31 179.01 2vur h ALA 530 N 0.64 1.01 -0.80 2.45 0.00 -1.21 -2.64 119.26 118.71 2vur h ALA 530 Ca -0.10 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2vur h ALA 530 Cb 1.67 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 2vur h ALA 530 CO 0.18 0.63 0.33 -0.09 0.00 0.00 0.00 179.25 180.30 2vur h ARG 531 N 0.93 1.19 -0.36 0.00 9.65 -0.83 -0.36 114.38 124.60 2vur h ARG 531 Ca 0.19 -0.21 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 2vur h ARG 531 Cb 0.42 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 2vur h ARG 531 CO 0.01 0.95 0.19 0.52 2.80 0.00 0.00 179.97 184.44 2vur h MET 532 N 1.16 0.50 -0.08 0.20 2.86 -1.19 -0.03 114.93 118.35 2vur h MET 532 Ca 0.27 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 2vur h MET 532 Cb 0.20 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 2vur h MET 532 CO -0.02 0.43 0.02 1.49 1.06 0.00 0.00 176.91 179.88 2vur h GLU 533 N 0.45 0.13 -0.15 1.72 4.81 -1.21 -1.41 114.58 118.92 2vur h GLU 533 Ca 0.12 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2vur h GLU 533 Cb 0.08 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2vur h GLU 533 CO -0.02 0.34 0.08 1.49 -0.73 0.00 0.00 179.01 180.17 2vur h GLU 534 N -0.10 0.21 -0.56 1.92 4.22 -0.92 -0.36 114.58 118.99 2vur h GLU 534 Ca 0.02 -0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.53 2vur h GLU 534 Cb 0.27 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 2vur h GLU 534 CO 0.00 0.22 0.15 0.00 -2.18 0.00 0.00 179.01 177.20 2vur h ALA 535 N 0.98 0.67 -0.49 2.92 0.00 -1.01 -0.44 119.26 121.88 2vur h ALA 535 Ca 0.05 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2vur h ALA 535 Cb 0.07 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2vur h ALA 535 CO -0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 179.25 178.87 2vur h ASN 537 N 0.81 0.90 0.16 0.00 2.35 -0.74 -1.39 115.58 117.67 2vur h ASN 537 Ca 0.13 -0.23 -0.09 0.00 -0.55 0.00 0.00 56.30 55.56 2vur h ASN 537 Cb 0.62 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2vur h ASN 537 CO 0.04 0.95 -0.34 -1.13 -1.65 0.00 0.00 177.43 175.30 2vur h ASN 538 N 0.87 0.27 -0.36 5.81 -1.24 -0.75 -1.94 115.58 118.24 2vur h ASN 538 Ca 0.16 -0.10 -0.12 0.00 0.71 0.00 0.00 56.30 56.96 2vur h ASN 538 Cb 0.48 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 2vur h ASN 538 CO 0.02 0.59 -0.24 -0.07 -1.29 0.00 0.00 177.43 176.44 2vur h LEU 539 N 0.23 0.83 -0.99 0.34 3.38 -0.91 -0.24 115.31 117.94 2vur h LEU 539 Ca 0.03 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.62 2vur h LEU 539 Cb 0.71 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 2vur h LEU 539 CO 0.05 1.09 0.64 0.11 0.09 0.00 0.00 178.44 180.42 2vur h LYS 540 N 0.58 1.16 -0.09 1.13 1.57 -1.18 0.13 116.57 119.87 2vur h LYS 540 Ca 0.07 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 2vur h LYS 540 Cb 0.81 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2vur h LYS 540 CO 0.07 0.77 -0.78 0.00 -0.57 0.00 0.00 179.45 178.94 2vur h ALA 541 N 1.43 0.46 0.00 3.86 0.00 -1.22 -3.41 119.26 120.38 2vur h ALA 541 Ca 0.42 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2vur h ALA 541 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2vur h ALA 541 CO -0.15 0.74 -0.51 0.09 0.00 0.00 0.00 179.25 179.41 2vur n ASN 542 N -3.86 2.55 -4.69 0.00 3.02 -0.11 -5.01 115.26 107.16 2vur n ASN 542 Ca -0.06 -0.20 -0.44 0.00 -0.03 0.00 0.00 54.58 53.86 2vur n ASN 542 Cb 0.74 0.91 -0.02 0.00 -0.61 0.00 0.00 39.78 40.80 2vur n ASN 542 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2vur n LEU 543 N -1.17 3.42 -4.72 3.41 4.77 0.43 -4.94 117.00 118.21 2vur n LEU 543 Ca 0.00 1.16 -0.37 0.00 -0.03 0.00 0.00 56.01 56.77 2vur n LEU 543 Cb 0.00 -1.47 0.07 0.00 -2.33 0.00 0.00 43.42 39.69 2vur n LEU 543 CO 0.00 -0.39 0.87 -0.81 -1.33 0.00 0.00 177.39 175.73 2vur n PRO 544 N 1.61 1.09 -0.30 3.23 -0.04 -1.26 -4.67 135.00 134.67 2vur n PRO 544 Ca 0.09 0.43 0.06 0.00 -0.04 0.00 0.00 63.50 64.04 2vur n PRO 544 Cb 0.34 -2.50 0.27 0.00 -0.04 0.00 0.00 33.50 31.56 2vur n PRO 544 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2vur h GLU 545 N 0.51 0.92 -0.77 0.54 4.81 -1.98 -0.80 114.58 117.81 2vur h GLU 545 Ca -0.51 -0.06 0.15 0.00 -0.13 0.00 0.00 59.36 58.82 2vur h GLU 545 Cb 1.34 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 2vur h GLU 545 CO 0.53 0.61 0.51 -0.24 -0.73 0.00 0.00 179.01 179.69 2vur h VAL 546 N 0.94 0.79 0.03 0.32 3.04 -2.01 -1.16 116.25 118.20 2vur h VAL 546 Ca 0.42 -0.15 -0.23 0.00 -1.01 0.00 0.00 66.70 65.73 2vur h VAL 546 Cb 0.36 0.31 -0.03 0.00 -2.01 0.00 0.00 31.29 29.93 2vur h VAL 546 CO -0.18 0.08 -1.24 0.00 -1.01 0.00 0.00 177.57 175.22 2vur h ALA 547 N 1.64 0.25 -1.00 3.17 0.00 -1.65 -3.40 119.26 118.27 2vur h ALA 547 Ca 0.38 -1.15 0.17 0.00 0.00 0.00 0.00 54.91 54.31 2vur h ALA 547 Cb 0.85 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 19.18 2vur h ALA 547 CO -0.13 0.72 0.62 1.25 0.00 0.00 0.00 179.25 181.71 2vur h LEU 548 N -0.80 0.81 -2.26 0.00 5.85 -0.87 -1.02 115.31 117.03 2vur h LEU 548 Ca -0.32 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2vur h LEU 548 Cb 1.41 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 2vur h LEU 548 CO -0.12 0.33 -0.05 1.05 -0.34 0.00 0.00 178.44 179.31 2vur h GLU 549 N 0.81 0.00 0.00 1.25 4.11 -1.42 0.24 114.58 119.57 2vur h GLU 549 Ca 0.55 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.94 2vur h GLU 549 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2vur h GLU 549 CO -0.33 0.05 -0.79 0.93 0.07 0.00 0.00 179.01 178.94 2vur h GLU 550 N 0.00 0.00 0.00 1.06 5.08 -1.39 -3.41 114.58 115.93 2vur h GLU 550 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2vur h GLU 550 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2vur h GLU 550 CO 0.01 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 178.12 2vur h SER 552 N 0.00 0.73 -0.25 0.00 4.64 -1.22 -1.57 113.55 115.88 2vur h SER 552 Ca 0.00 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 2vur h SER 552 Cb 0.66 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 2vur h SER 552 CO 0.00 0.44 -0.30 0.03 -0.87 0.00 0.00 176.83 176.13 2vur h ARG 553 N 0.85 0.76 -0.06 4.77 3.08 -1.89 -2.38 114.38 119.51 2vur h ARG 553 Ca 0.38 -0.34 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 2vur h ARG 553 Cb 0.27 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2vur h ARG 553 CO -0.21 0.96 -0.62 1.96 -1.07 0.00 0.00 179.97 180.99 2vur h GLN 554 N 0.64 0.23 -0.33 0.04 7.50 -1.76 -0.87 115.11 120.56 2vur h GLN 554 Ca 0.07 -0.16 -0.01 0.00 0.50 0.00 0.00 58.65 59.05 2vur h GLN 554 Cb 0.82 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.37 2vur h GLN 554 CO 0.07 0.77 0.16 -0.07 -1.50 0.00 0.00 178.83 178.26 2vur h LEU 555 N 0.17 0.43 -0.86 1.46 -0.00 -1.20 -1.16 115.31 114.14 2vur h LEU 555 Ca -0.01 -0.12 -0.07 0.00 -0.00 0.00 0.00 57.88 57.68 2vur h LEU 555 Cb 1.13 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.65 2vur h LEU 555 CO 0.10 0.43 0.09 0.44 -0.00 0.00 0.00 178.44 179.50 2vur h ASP 556 N 0.40 0.89 -0.07 -0.43 3.32 -1.17 -2.14 116.42 117.22 2vur h ASP 556 Ca 0.11 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.98 2vur h ASP 556 Cb 0.12 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2vur h ASP 556 CO -0.01 0.90 -0.02 -0.33 -1.72 0.00 0.00 179.24 178.05 2vur h GLU 557 N 0.89 -0.00 -0.62 3.56 4.39 -1.02 -1.52 114.58 120.26 2vur h GLU 557 Ca 0.18 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.84 2vur h GLU 557 Cb 0.39 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2vur h GLU 557 CO 0.01 -0.00 0.22 1.25 -1.16 0.00 0.00 179.01 179.33 2vur h LEU 558 N -0.00 0.84 0.05 1.33 5.85 -1.03 0.29 115.31 122.65 2vur h LEU 558 Ca 0.03 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2vur h LEU 558 Cb 0.05 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2vur h LEU 558 CO -0.07 0.77 -0.02 0.40 -0.34 0.00 0.00 178.44 179.18 2vur h ILE 559 N 0.90 0.97 -0.55 4.05 2.04 -1.32 0.26 117.51 123.85 2vur h ILE 559 Ca 0.21 -0.05 0.08 0.00 1.00 0.00 0.00 64.86 66.10 2vur h ILE 559 Cb 0.21 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 2vur h ILE 559 CO -0.01 0.01 0.18 0.74 0.00 0.00 0.00 178.15 179.07 2vur h THR 560 N -0.09 0.78 -0.64 -0.27 2.02 -0.87 -1.06 112.91 112.78 2vur h THR 560 Ca -0.01 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 2vur h THR 560 Cb 0.07 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 2vur h THR 560 CO 0.01 0.06 0.05 -0.07 0.37 0.00 0.00 175.52 175.95 2vur h LEU 561 N 0.36 1.06 -1.08 2.58 3.38 -0.60 -1.37 115.31 119.65 2vur h LEU 561 Ca 0.27 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2vur h LEU 561 Cb 0.32 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2vur h LEU 561 CO -0.29 1.08 0.24 0.00 0.09 0.00 0.00 178.44 179.57 2vur h ALA 562 N 1.02 1.27 -0.31 1.53 0.00 0.03 0.13 119.26 122.93 2vur h ALA 562 Ca 0.19 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 2vur h ALA 562 Cb 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2vur h ALA 562 CO 0.02 0.54 -0.36 1.96 0.00 0.00 0.00 179.25 181.41 2vur h GLN 563 N 0.89 0.71 -0.30 0.00 4.20 -0.89 -0.41 115.11 119.30 2vur h GLN 563 Ca 0.21 -0.35 -0.10 0.00 0.06 0.00 0.00 58.65 58.47 2vur h GLN 563 Cb 0.18 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2vur h GLN 563 CO -0.02 0.96 -0.24 0.78 -0.67 0.00 0.00 178.83 179.64 2vur h GLY 564 N 0.96 0.63 0.91 3.46 0.00 -0.94 -1.16 103.07 106.94 2vur h GLY 564 Ca 0.06 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 2vur h GLY 564 CO 0.08 0.48 0.08 -0.55 0.00 0.00 0.00 176.54 176.63 2vur h ASP 565 N 0.52 0.53 -0.38 0.19 3.32 -0.57 -0.74 116.42 119.29 2vur h ASP 565 Ca 0.08 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 2vur h ASP 565 Cb 0.69 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2vur h ASP 565 CO 0.05 0.63 0.19 0.50 -1.72 0.00 0.00 179.24 178.89 2vur h LYS 566 N 0.40 0.54 -0.02 3.56 3.11 -0.97 -2.09 116.57 121.10 2vur h LYS 566 Ca 0.11 -0.08 -0.02 0.00 -2.81 0.00 0.00 60.65 57.85 2vur h LYS 566 Cb 0.31 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.44 2vur h LYS 566 CO 0.00 0.48 -0.10 0.00 -2.81 0.00 0.00 179.45 177.02 2vur h ALA 567 N 1.04 1.80 -0.29 5.00 0.00 -1.13 -1.32 119.26 124.36 2vur h ALA 567 Ca 0.13 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2vur h ALA 567 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2vur h ALA 567 CO -0.02 0.15 -0.11 0.77 0.00 0.00 0.00 179.25 180.05 2vur h SER 568 N 0.03 0.59 -0.80 0.00 0.02 -0.65 -1.43 113.55 111.31 2vur h SER 568 Ca 0.01 -0.39 0.05 0.00 -0.84 0.00 0.00 61.79 60.62 2vur h SER 568 Cb 0.20 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.52 2vur h SER 568 CO 0.01 0.85 0.50 -0.07 -1.14 0.00 0.00 176.83 176.98 2vur h LEU 569 N 0.33 0.79 -0.88 5.07 3.38 -0.97 -2.12 115.31 120.91 2vur h LEU 569 Ca 0.07 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2vur h LEU 569 Cb 0.61 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 2vur h LEU 569 CO 0.04 0.52 0.56 0.44 0.09 0.00 0.00 178.44 180.09 2vur h ASP 570 N 0.93 0.92 0.26 -0.43 3.32 -0.88 0.62 116.42 121.16 2vur h ASP 570 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2vur h ASP 570 Cb 0.12 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2vur h ASP 570 CO -0.15 0.61 -0.29 0.24 -1.72 0.00 0.00 179.24 177.93 2vur h MET 571 N 1.07 -0.57 -0.32 3.56 2.86 -0.96 -0.12 114.93 120.45 2vur h MET 571 Ca 0.37 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 58.09 2vur h MET 571 Cb 0.07 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 2vur h MET 571 CO -0.14 -0.38 0.05 0.82 1.06 0.00 0.00 176.91 178.32 2vur h ILE 572 N -0.59 0.82 -0.73 -1.22 2.04 -0.90 -1.43 117.51 115.50 2vur h ILE 572 Ca -0.00 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2vur h ILE 572 Cb 0.56 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 2vur h ILE 572 CO -0.08 0.03 0.40 0.58 0.00 0.00 0.00 178.15 179.08 2vur h VAL 573 N 0.15 1.22 -0.70 1.67 2.07 -0.75 0.60 116.25 120.51 2vur h VAL 573 Ca 0.15 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 2vur h VAL 573 Cb 0.18 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 2vur h VAL 573 CO -0.21 0.24 0.24 0.00 0.02 0.00 0.00 177.57 177.85 2vur h ALA 574 N 1.42 0.91 -0.49 1.67 0.00 -0.60 -1.19 119.26 120.98 2vur h ALA 574 Ca 0.26 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2vur h ALA 574 Cb 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2vur h ALA 574 CO -0.04 0.57 -0.09 1.96 0.00 0.00 0.00 179.25 181.65 2vur h GLN 575 N 1.01 0.93 -0.59 0.00 4.20 -0.25 0.14 115.11 120.56 2vur h GLN 575 Ca 0.23 -0.34 0.05 0.00 0.06 0.00 0.00 58.65 58.64 2vur h GLN 575 Cb 0.27 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 2vur h GLN 575 CO -0.01 1.00 0.39 -0.07 -0.67 0.00 0.00 178.83 179.47 2vur h LEU 576 N 0.78 0.54 -1.19 1.46 3.38 -0.61 -1.61 115.31 118.06 2vur h LEU 576 Ca 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2vur h LEU 576 Cb 0.64 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2vur h LEU 576 CO 0.04 0.36 0.00 0.59 0.09 0.00 0.00 178.44 179.52 2vur n ASN 577 N -4.47 1.85 -3.98 -0.43 3.02 -0.48 -4.95 115.26 105.82 2vur n ASN 577 Ca 0.08 -1.62 -0.29 0.00 -0.03 0.00 0.00 54.58 52.72 2vur n ASN 577 Cb 0.19 -0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.36 2vur n ASN 577 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2vur n GLU 578 N 0.45 -4.17 -3.45 3.52 1.02 0.32 -4.93 120.64 113.39 2vur n GLU 578 Ca 0.18 0.49 -0.43 0.00 -0.02 0.00 0.00 57.16 57.37 2vur n GLU 578 Cb 0.41 -5.06 -0.06 0.00 -0.02 0.00 0.00 31.44 26.71 2vur n GLU 578 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2vur s ASP 579 N -3.77 6.02 0.28 1.62 -1.08 -0.16 -4.93 116.67 114.65 2vur s ASP 579 Ca 0.40 -2.13 0.04 0.00 -0.52 0.00 0.00 52.55 50.33 2vur s ASP 579 Cb -0.21 -2.10 0.41 0.00 -1.46 0.00 0.00 42.92 39.56 2vur s ASP 579 CO 0.87 -0.69 1.70 0.71 0.52 0.00 0.00 175.17 178.28 2vur h THR 580 N 5.70 1.29 -0.25 1.71 1.35 -1.92 -1.08 112.91 119.71 2vur h THR 580 Ca -0.15 -1.40 -0.20 0.00 -0.55 0.00 0.00 66.41 64.11 2vur h THR 580 Cb 1.06 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 2vur h THR 580 CO 0.88 0.43 -0.61 -0.08 -0.25 0.00 0.00 175.52 175.89 2vur h GLU 581 N 0.34 0.86 -0.08 4.72 4.57 -1.97 -1.74 114.58 121.27 2vur h GLU 581 Ca 0.04 -0.58 -0.11 0.00 -1.18 0.00 0.00 59.36 57.52 2vur h GLU 581 Cb 0.76 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 2vur h GLU 581 CO 0.06 1.21 -0.47 0.00 -1.18 0.00 0.00 179.01 178.64 2vur h ALA 582 N 0.64 1.06 -0.43 2.92 0.00 -1.92 -2.57 119.26 118.96 2vur h ALA 582 Ca -0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2vur h ALA 582 Cb 1.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2vur h ALA 582 CO 0.13 0.62 0.06 -0.92 0.00 0.00 0.00 179.25 179.14 2vur h TYR 583 N 0.16 0.78 -0.28 0.00 3.20 -1.03 -1.72 116.97 118.08 2vur h TYR 583 Ca 0.01 -0.11 -0.19 0.00 3.14 0.00 0.00 58.73 61.57 2vur h TYR 583 Cb 0.89 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.95 2vur h TYR 583 CO 0.01 0.75 -0.57 0.93 -1.64 0.00 0.00 178.16 177.64 2vur h GLU 584 N 0.58 0.88 -0.37 1.82 4.39 -1.27 0.61 114.58 121.22 2vur h GLU 584 Ca 0.13 -0.57 -0.11 0.00 0.34 0.00 0.00 59.36 59.15 2vur h GLU 584 Cb 0.40 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2vur h GLU 584 CO 0.01 1.21 -0.20 0.77 -1.16 0.00 0.00 179.01 179.64 2vur h SER 585 N 0.67 0.72 -0.20 1.42 0.02 -1.48 -1.95 113.55 112.74 2vur h SER 585 Ca 0.01 -0.25 -0.20 0.00 -0.84 0.00 0.00 61.79 60.51 2vur h SER 585 Cb 1.18 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.53 2vur h SER 585 CO 0.13 0.92 -0.64 0.00 -1.14 0.00 0.00 176.83 176.09 2vur h ALA 586 N 1.14 0.35 -0.47 3.77 0.00 -1.21 -3.14 119.26 119.69 2vur h ALA 586 Ca 0.09 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2vur h ALA 586 Cb 0.68 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2vur h ALA 586 CO 0.05 0.63 0.25 -0.22 0.00 0.00 0.00 179.25 179.97 2vur h LYS 587 N 0.54 0.66 -0.48 0.00 3.64 -0.83 -1.05 116.57 119.05 2vur h LYS 587 Ca -0.02 -0.08 0.09 0.00 -1.27 0.00 0.00 60.65 59.36 2vur h LYS 587 Cb 1.27 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 2vur h LYS 587 CO 0.14 0.53 0.06 1.49 -2.27 0.00 0.00 179.45 179.40 2vur h GLU 588 N 0.62 0.18 -0.07 1.90 4.81 -1.44 -1.27 114.58 119.32 2vur h GLU 588 Ca 0.17 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2vur h GLU 588 Cb 0.06 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2vur h GLU 588 CO -0.03 0.12 0.01 0.82 -0.73 0.00 0.00 179.01 179.21 2vur h ILE 589 N 0.19 1.21 -0.47 2.32 2.04 -1.45 -1.30 117.51 120.05 2vur h ILE 589 Ca 0.24 -0.65 0.08 0.00 1.00 0.00 0.00 64.86 65.53 2vur h ILE 589 Cb 0.34 1.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 2vur h ILE 589 CO -0.35 0.18 0.11 0.00 0.00 0.00 0.00 178.15 178.09 2vur h ALA 590 N 0.77 0.53 -0.57 1.87 0.00 -1.00 -0.02 119.26 120.84 2vur h ALA 590 Ca 0.02 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2vur h ALA 590 Cb 0.27 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2vur h ALA 590 CO 0.00 -0.30 0.08 0.37 0.00 0.00 0.00 179.25 179.40 2vur h GLN 591 N 0.25 0.96 -0.30 0.00 5.75 -1.16 -0.70 115.11 119.90 2vur h GLN 591 Ca 0.23 -0.26 -0.11 0.00 -0.15 0.00 0.00 58.65 58.36 2vur h GLN 591 Cb 0.29 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 2vur h GLN 591 CO -0.29 0.92 -0.26 -0.91 -2.65 0.00 0.00 178.83 175.64 2vur h ASN 592 N 0.85 0.61 -0.21 -0.69 2.35 -0.67 -1.14 115.58 116.67 2vur h ASN 592 Ca 0.17 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 2vur h ASN 592 Cb 0.44 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2vur h ASN 592 CO 0.01 0.85 -0.10 0.11 -1.65 0.00 0.00 177.43 176.66 2vur h LYS 593 N 0.52 0.44 -0.47 0.81 1.79 -0.86 -0.94 116.57 117.86 2vur h LYS 593 Ca 0.07 -0.19 0.06 0.00 -2.18 0.00 0.00 60.65 58.42 2vur h LYS 593 Cb 0.72 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.30 2vur h LYS 593 CO 0.06 0.72 0.17 1.25 -1.08 0.00 0.00 179.45 180.56 2vur h LEU 594 N 0.15 0.17 -0.74 2.94 5.85 -1.09 -2.36 115.31 120.23 2vur h LEU 594 Ca 0.05 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 2vur h LEU 594 Cb 0.58 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2vur h LEU 594 CO 0.03 0.13 0.09 0.78 -0.34 0.00 0.00 178.44 179.13 2vur h ASN 595 N 0.34 1.01 -0.27 1.25 2.35 -1.01 0.70 115.58 119.95 2vur h ASN 595 Ca 0.23 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2vur h ASN 595 Cb 0.23 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 2vur h ASN 595 CO -0.23 1.01 0.03 0.74 -1.65 0.00 0.00 177.43 177.33 2vur h THR 596 N 0.99 0.85 -0.31 2.81 2.02 -1.08 -1.80 112.91 116.38 2vur h THR 596 Ca 0.19 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 2vur h THR 596 Cb 0.44 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2vur h THR 596 CO 0.01 0.02 0.17 0.00 0.37 0.00 0.00 175.52 176.10 2vur h ALA 597 N 1.21 0.40 -0.69 6.16 0.00 -0.89 -2.05 119.26 123.40 2vur h ALA 597 Ca 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2vur h ALA 597 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2vur h ALA 597 CO -0.18 -0.07 0.34 -0.07 0.00 0.00 0.00 179.25 179.27 2vur h LEU 598 N 0.38 0.88 -0.11 0.00 3.38 -0.83 -2.88 115.31 116.14 2vur h LEU 598 Ca 0.11 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2vur h LEU 598 Cb 0.07 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2vur h LEU 598 CO -0.02 0.74 0.00 0.28 0.09 0.00 0.00 178.44 179.54 2vur h SER 599 N 0.98 0.00 -4.02 -0.43 0.02 -1.11 -3.47 113.55 105.51 2vur h SER 599 Ca 0.24 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.73 2vur h SER 599 Cb 0.09 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2vur h SER 599 CO -0.03 0.00 0.36 -0.44 -1.14 0.00 0.00 176.83 175.58 2vur s SER 600 N -4.65 6.82 0.24 3.07 0.01 -0.79 -4.97 113.70 113.43 2vur s SER 600 Ca 0.09 1.82 -0.05 0.00 1.31 0.00 0.00 55.95 59.13 2vur s SER 600 Cb 0.11 -2.56 0.38 0.00 0.21 0.00 0.00 66.02 64.16 2vur s SER 600 CO 0.58 -0.44 1.80 0.15 0.41 0.00 0.00 173.24 175.74 2vur h PHE 601 N 2.10 0.79 -3.91 2.43 3.04 -1.90 -3.44 116.94 116.05 2vur h PHE 601 Ca -0.49 0.03 -0.51 0.00 3.98 0.00 0.00 57.97 60.98 2vur h PHE 601 Cb 1.20 -0.23 0.06 0.00 2.56 0.00 0.00 35.95 39.53 2vur h PHE 601 CO 0.60 0.31 0.56 0.00 -2.02 0.00 0.00 178.31 177.76 2vur s ALA 602 N -6.04 3.30 -0.03 2.41 0.00 -1.26 -4.39 121.76 115.75 2vur s ALA 602 Ca -0.12 1.09 0.02 0.00 0.00 0.00 0.00 51.96 52.95 2vur s ALA 602 Cb 0.19 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.89 2vur s ALA 602 CO 0.78 -0.58 -0.09 0.08 0.00 0.00 0.00 175.76 175.95 2vur s VAL 603 N -1.28 0.84 -0.17 0.00 1.01 -0.24 -4.96 120.40 115.60 2vur s VAL 603 Ca 0.53 -0.37 -0.28 0.00 0.00 0.00 0.00 61.98 61.86 2vur s VAL 603 Cb -0.35 -0.75 0.09 0.00 0.00 0.00 0.00 36.38 35.37 2vur s VAL 603 CO 0.45 0.26 0.82 -0.51 0.00 0.00 0.00 175.10 176.12 2vur s ILE 604 N 0.29 0.00 -1.53 2.22 2.07 -1.26 -4.09 121.20 118.90 2vur s ILE 604 Ca -0.05 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.05 2vur s ILE 604 Cb -0.10 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.59 2vur s ILE 604 CO 0.01 0.00 0.81 -0.24 -1.91 0.00 0.00 174.94 173.61 2vur n SER 605 N 1.58 -4.27 -0.28 4.50 2.88 -0.69 -4.65 113.62 112.69 2vur n SER 605 Ca -0.15 -0.73 0.07 0.00 -1.33 0.00 0.00 58.87 56.73 2vur n SER 605 Cb 0.56 -3.45 0.22 0.00 -0.75 0.00 0.00 64.21 60.79 2vur n SER 605 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2vur h GLU 606 N -1.66 0.50 -0.13 -1.46 3.07 -1.94 -0.96 114.58 112.00 2vur h GLU 606 Ca -0.55 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.28 2vur h GLU 606 Cb 1.36 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2vur h GLU 606 CO 0.67 0.33 0.00 1.63 -1.40 0.00 0.00 179.01 180.24 2vur n LYS 607 N -4.95 1.76 0.00 2.33 4.76 -1.26 -1.56 118.16 119.24 2vur n LYS 607 Ca 0.16 -1.13 0.00 0.00 -2.87 0.00 0.00 58.31 54.47 2vur n LYS 607 Cb 0.45 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 2vur n LYS 607 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2vur n VAL 608 N 0.36 0.00 -0.25 -0.18 0.31 -0.43 -4.64 118.33 113.49 2vur n VAL 608 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 2vur n VAL 608 Cb 0.35 -0.01 0.22 0.00 -0.91 0.00 0.00 33.84 33.49 2vur n VAL 608 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2vur h ALA 609 N 0.97 1.43 0.08 3.52 0.00 -1.74 -1.45 119.26 122.07 2vur h ALA 609 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2vur h ALA 609 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2vur h ALA 609 CO 0.00 0.52 -0.04 0.37 0.00 0.00 0.00 179.25 180.10 2vur h GLN 610 N 1.09 -0.11 -0.50 0.00 4.15 -1.53 -3.32 115.11 114.89 2vur h GLN 610 Ca 0.30 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.81 2vur h GLN 610 Cb -0.11 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 2vur h GLN 610 CO -0.07 0.41 0.34 1.03 -1.93 0.00 0.00 178.83 178.61 2vur h SER 611 N -0.90 0.31 -0.80 -0.69 0.87 -1.29 -2.81 113.55 108.24 2vur h SER 611 Ca -0.01 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.65 2vur h SER 611 Cb 0.57 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.40 2vur h SER 611 CO 0.02 0.19 0.44 0.15 -0.53 0.00 0.00 176.83 177.10 2vur h PHE 612 N 0.34 0.80 -0.41 2.24 3.57 -1.36 0.14 116.94 122.27 2vur h PHE 612 Ca 0.23 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 2vur h PHE 612 Cb 0.45 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2vur h PHE 612 CO -0.00 0.31 0.19 0.82 -2.23 0.00 0.00 178.31 177.40 2vur h ILE 613 N 0.74 1.18 -0.45 1.41 2.04 -1.62 0.86 117.51 121.66 2vur h ILE 613 Ca 0.39 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2vur h ILE 613 Cb 0.39 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2vur h ILE 613 CO -0.26 0.20 0.25 1.56 0.00 0.00 0.00 178.15 179.89 2vur h GLN 614 N 0.52 0.62 -0.62 2.37 4.20 -1.43 -0.50 115.11 120.28 2vur h GLN 614 Ca 0.14 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.80 2vur h GLN 614 Cb 0.13 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 2vur h GLN 614 CO -0.02 0.49 0.39 0.93 -0.67 0.00 0.00 178.83 179.96 2vur h GLU 615 N 0.59 0.76 -0.43 1.46 5.08 -0.56 -1.45 114.58 120.02 2vur h GLU 615 Ca 0.16 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 2vur h GLU 615 Cb 0.05 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2vur h GLU 615 CO -0.03 0.50 -0.16 0.00 -1.00 0.00 0.00 179.01 178.33 2vur h ALA 616 N 1.25 0.60 0.00 3.43 0.00 -0.56 -2.05 119.26 121.94 2vur h ALA 616 Ca 0.24 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2vur h ALA 616 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2vur h ALA 616 CO -0.08 0.54 -0.25 -0.07 0.00 0.00 0.00 179.25 179.39 2vur h LEU 617 N 0.70 0.00 -0.51 0.00 3.38 -0.94 -2.51 115.31 115.43 2vur h LEU 617 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2vur h LEU 617 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2vur h LEU 617 CO 0.05 0.25 -0.16 -1.20 0.09 0.00 0.00 178.44 177.47 2vur n SER 618 N -4.24 0.95 -4.77 -0.43 7.64 -0.56 -4.89 113.62 107.33 2vur n SER 618 Ca -0.02 -0.94 -0.39 0.00 1.01 0.00 0.00 58.87 58.53 2vur n SER 618 Cb 0.30 0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.50 2vur n SER 618 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2vur s PHE 619 N -2.38 3.74 -0.41 1.43 5.36 -0.80 -5.04 117.98 119.88 2vur s PHE 619 Ca 0.29 1.34 0.03 0.00 -0.96 0.00 0.00 56.93 57.63 2vur s PHE 619 Cb 0.20 -2.67 0.11 0.00 -0.34 0.00 0.00 43.02 40.32 2vur s PHE 619 CO 0.47 0.38 0.15 0.34 -1.46 0.00 0.00 175.22 175.10 2vur s ASP 620 N -0.37 4.39 0.50 6.13 3.68 -1.26 -4.95 116.67 124.78 2vur s ASP 620 Ca 0.33 -2.46 0.29 0.00 2.13 0.00 0.00 52.55 52.84 2vur s ASP 620 Cb -0.20 -1.48 1.14 0.00 -1.45 0.00 0.00 42.92 40.93 2vur s ASP 620 CO 0.20 -0.32 1.90 0.25 0.13 0.00 0.00 175.17 177.34 2vur h LEU 621 N 7.16 0.00 -1.65 -1.34 5.85 -1.96 -3.05 115.31 120.33 2vur h LEU 621 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2vur h LEU 621 Cb 0.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2vur h LEU 621 CO 0.57 0.11 0.00 0.71 -0.34 0.00 0.00 178.44 179.49 2vur h THR 622 N 0.00 0.00 -0.35 1.05 1.35 -1.92 -2.84 112.91 110.20 2vur h THR 622 Ca -0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2vur h THR 622 Cb 0.63 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2vur h THR 622 CO 0.01 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 2vur n LEU 623 N -2.96 3.09 -0.02 3.87 4.77 -1.15 -5.24 117.00 119.36 2vur n LEU 623 Ca 0.00 -1.62 0.16 0.00 -0.03 0.00 0.00 56.01 54.52 2vur n LEU 623 Cb 0.25 -0.23 0.93 0.00 -2.33 0.00 0.00 43.42 42.04 2vur n LEU 623 CO 0.25 0.70 1.10 -0.38 -1.33 0.00 0.00 177.39 177.73