#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vnl n ALA 6 N 0.00 2.54 -1.59 6.98 0.00 -1.26 -4.96 120.51 122.22 2vnl n ALA 6 Ca 0.00 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 2vnl n ALA 6 Cb 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.35 2vnl n ALA 6 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2vnl n ASN 7 N 0.37 1.11 -4.16 0.00 5.03 -1.26 -5.02 115.26 111.33 2vnl n ASN 7 Ca 0.18 1.06 -0.10 0.00 0.87 0.00 0.00 54.58 56.58 2vnl n ASN 7 Cb 0.38 -1.32 -0.10 0.00 -1.02 0.00 0.00 39.78 37.72 2vnl n ASN 7 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 2vnl s VAL 8 N -1.24 0.66 0.31 2.41 -7.23 -1.26 -5.14 120.40 108.92 2vnl s VAL 8 Ca 0.62 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.60 2vnl s VAL 8 Cb -0.59 -1.63 -0.12 0.00 0.56 0.00 0.00 36.38 34.59 2vnl s VAL 8 CO 0.58 -0.86 1.37 1.33 -0.31 0.00 0.00 175.10 177.20 2vnl n VAL 9 N 0.02 1.64 -2.05 1.32 0.24 -1.26 -4.98 118.33 113.26 2vnl n VAL 9 Ca -0.13 -0.41 -0.42 0.00 -2.04 0.00 0.00 64.34 61.34 2vnl n VAL 9 Cb 0.61 -1.63 -0.03 0.00 -1.47 0.00 0.00 33.84 31.32 2vnl n VAL 9 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2vnl s VAL 10 N -0.73 3.13 0.30 3.34 1.01 -1.26 -5.02 120.40 121.17 2vnl s VAL 10 Ca 0.59 0.71 0.05 0.00 0.00 0.00 0.00 61.98 63.33 2vnl s VAL 10 Cb -0.57 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 2vnl s VAL 10 CO 0.58 0.03 0.17 -0.24 0.00 0.00 0.00 175.10 175.64 2vnl n SER 11 N 4.69 0.27 -3.87 3.32 2.88 -1.26 -5.12 113.62 114.52 2vnl n SER 11 Ca 0.14 -2.75 -0.30 0.00 -1.33 0.00 0.00 58.87 54.62 2vnl n SER 11 Cb 0.41 1.10 -0.14 0.00 -0.75 0.00 0.00 64.21 64.83 2vnl n SER 11 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2vnl s ASN 12 N -2.94 4.14 0.42 -3.46 2.47 -1.26 -5.00 114.94 109.31 2vnl s ASN 12 Ca 0.25 -2.77 0.22 0.00 0.42 0.00 0.00 52.86 50.98 2vnl s ASN 12 Cb 0.01 -1.42 0.84 0.00 -1.45 0.00 0.00 41.25 39.23 2vnl s ASN 12 CO 0.17 -0.26 1.80 1.55 -3.72 0.00 0.00 177.10 176.64 2vnl h PRO 13 N 6.72 0.00 -6.26 0.43 0.13 -2.03 -3.44 132.00 127.56 2vnl h PRO 13 Ca -0.06 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.52 2vnl h PRO 13 Cb 0.92 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 2vnl h PRO 13 CO 0.60 0.27 0.81 0.50 -0.23 0.00 0.00 178.00 179.95 2vnl s ARG 14 N -3.65 4.29 0.57 0.86 3.52 -1.26 -4.98 118.95 118.30 2vnl s ARG 14 Ca 0.00 1.74 -0.18 0.00 -0.13 0.00 0.00 55.73 57.17 2vnl s ARG 14 Cb 0.11 -3.65 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 2vnl s ARG 14 CO 0.65 -0.57 1.08 -1.25 -0.81 0.00 0.00 175.30 174.40 2vnl s PRO 15 N 2.76 3.35 0.14 5.12 0.04 -1.26 -5.07 135.00 140.08 2vnl s PRO 15 Ca 0.58 1.38 0.10 0.00 0.04 0.00 0.00 61.00 63.10 2vnl s PRO 15 Cb -0.25 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 2vnl s PRO 15 CO 0.21 -0.81 -0.25 0.96 0.04 0.00 0.00 177.00 177.15 2vnl s ILE 16 N -2.14 2.16 -0.21 0.56 -4.36 -1.26 -4.62 121.20 111.33 2vnl s ILE 16 Ca 0.67 -1.79 0.01 0.00 -0.26 0.00 0.00 60.65 59.29 2vnl s ILE 16 Cb -0.19 -1.94 0.04 0.00 1.25 0.00 0.00 42.46 41.62 2vnl s ILE 16 CO 0.31 0.00 -0.13 -0.36 0.24 0.00 0.00 174.94 175.00 2vnl s PHE 17 N -1.25 2.74 0.28 1.37 0.08 0.53 -5.02 117.98 116.71 2vnl s PHE 17 Ca 0.14 -1.79 0.11 0.00 0.12 0.00 0.00 56.93 55.51 2vnl s PHE 17 Cb -0.09 -1.79 -0.05 0.00 -0.57 0.00 0.00 43.02 40.51 2vnl s PHE 17 CO 0.06 -0.80 -0.18 0.95 -0.10 0.00 0.00 175.22 175.16 2vnl s THR 18 N 1.29 2.34 0.89 0.64 -4.23 -1.26 -1.63 115.64 113.68 2vnl s THR 18 Ca -0.01 -2.36 -0.12 0.00 -1.18 0.00 0.00 61.69 58.02 2vnl s THR 18 Cb -0.16 -2.31 0.13 0.00 1.34 0.00 0.00 72.50 71.50 2vnl s THR 18 CO -0.09 -0.40 1.11 -1.61 -0.54 0.00 0.00 174.62 173.09 2vnl s GLU 19 N -3.54 1.31 -0.01 3.99 0.41 0.06 -4.73 118.70 116.19 2vnl s GLU 19 Ca 0.29 0.52 0.17 0.00 -0.41 0.00 0.00 54.97 55.55 2vnl s GLU 19 Cb -0.04 -1.84 -0.23 0.00 -1.78 0.00 0.00 34.13 30.24 2vnl s GLU 19 CO 0.14 -2.13 0.53 0.43 -0.49 0.00 0.00 175.26 173.74 2vnl n SER 20 N -3.76 0.91 -0.00 -0.19 7.64 -1.26 -4.49 113.62 112.47 2vnl n SER 20 Ca 0.06 -0.39 0.05 0.00 1.01 0.00 0.00 58.87 59.60 2vnl n SER 20 Cb 0.57 1.45 -0.07 0.00 -1.01 0.00 0.00 64.21 65.16 2vnl n SER 20 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2vnl n ARG 21 N -1.80 2.12 -3.98 1.43 1.74 -1.26 -5.03 116.66 109.87 2vnl n ARG 21 Ca -0.00 -0.04 -0.09 0.00 -0.77 0.00 0.00 57.85 56.94 2vnl n ARG 21 Cb 0.37 -1.09 -0.08 0.00 -1.02 0.00 0.00 32.46 30.64 2vnl n ARG 21 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2vnl s SER 22 N -2.51 0.15 -0.95 0.55 1.04 -1.26 -5.10 113.70 105.62 2vnl s SER 22 Ca 0.00 -0.90 -0.18 0.00 0.48 0.00 0.00 55.95 55.35 2vnl s SER 22 Cb 0.07 0.37 0.14 0.00 0.10 0.00 0.00 66.02 66.69 2vnl s SER 22 CO 0.41 -0.80 1.14 0.12 0.98 0.00 0.00 173.24 175.09 2vnl s PHE 23 N -3.95 3.16 0.04 5.02 5.36 -1.26 -4.14 117.98 122.21 2vnl s PHE 23 Ca 0.15 -1.46 -0.17 0.00 -0.96 0.00 0.00 56.93 54.49 2vnl s PHE 23 Cb 0.05 -4.27 0.03 0.00 -0.34 0.00 0.00 43.02 38.49 2vnl s PHE 23 CO -0.03 -1.47 0.38 0.15 -1.46 0.00 0.00 175.22 172.79 2vnl s LYS 24 N 2.54 0.88 0.68 10.12 1.02 -1.26 -5.03 119.74 128.68 2vnl s LYS 24 Ca 0.33 -0.39 -0.15 0.00 0.02 0.00 0.00 55.97 55.78 2vnl s LYS 24 Cb -0.05 0.39 0.01 0.00 -0.52 0.00 0.00 37.83 37.66 2vnl s LYS 24 CO -0.09 -0.29 1.13 0.00 -0.92 0.00 0.00 175.35 175.18 2vnl s ALA 25 N -2.42 2.39 -1.49 5.17 0.00 -1.26 -0.76 121.76 123.38 2vnl s ALA 25 Ca -0.06 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 2vnl s ALA 25 Cb -0.01 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.77 2vnl s ALA 25 CO -0.02 -1.41 2.43 0.28 0.00 0.00 0.00 175.76 177.04 2vnl n VAL 26 N -2.49 3.86 -2.01 0.00 0.31 -0.65 -4.55 118.33 112.81 2vnl n VAL 26 Ca 0.11 -3.05 -0.42 0.00 -0.01 0.00 0.00 64.34 60.97 2vnl n VAL 26 Cb 0.52 -2.57 -0.03 0.00 -0.91 0.00 0.00 33.84 30.85 2vnl n VAL 26 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2vnl s ALA 27 N 2.48 3.70 -1.46 3.52 0.00 -1.26 -1.17 121.76 127.58 2vnl s ALA 27 Ca 0.54 1.24 -0.02 0.00 0.00 0.00 0.00 51.96 53.72 2vnl s ALA 27 Cb 0.15 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.66 2vnl s ALA 27 CO -0.07 -0.82 0.14 -1.71 0.00 0.00 0.00 175.76 173.30 2vnl n ASN 28 N 4.41 -5.08 -4.24 0.00 5.15 0.03 -4.20 115.26 111.32 2vnl n ASN 28 Ca 0.14 -0.02 -0.30 0.00 -0.60 0.00 0.00 54.58 53.80 2vnl n ASN 28 Cb 0.40 -4.22 0.18 0.00 -0.53 0.00 0.00 39.78 35.60 2vnl n ASN 28 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2vnl s GLY 29 N -2.21 1.71 -0.01 8.20 0.00 -0.31 -4.15 107.32 110.54 2vnl s GLY 29 Ca 0.09 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 43.79 2vnl s GLY 29 CO 0.11 -0.31 -0.09 0.54 0.00 0.00 0.00 173.10 173.35 2vnl s LYS 30 N -5.74 0.78 -0.11 2.90 1.02 -0.06 -1.85 119.74 116.69 2vnl s LYS 30 Ca 0.71 -0.31 0.04 0.00 0.02 0.00 0.00 55.97 56.43 2vnl s LYS 30 Cb -0.06 -0.75 0.00 0.00 -0.52 0.00 0.00 37.83 36.50 2vnl s LYS 30 CO 0.53 0.16 -0.23 0.42 -0.92 0.00 0.00 175.35 175.31 2vnl s ILE 31 N -0.07 2.04 0.00 2.17 1.01 -0.35 -0.82 121.20 125.18 2vnl s ILE 31 Ca 0.01 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.69 2vnl s ILE 31 Cb -0.05 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 2vnl s ILE 31 CO -0.00 0.55 -0.05 -0.31 0.00 0.00 0.00 174.94 175.13 2vnl s TYR 32 N 0.48 2.95 -0.09 3.97 1.51 -0.09 -0.82 117.35 125.27 2vnl s TYR 32 Ca -0.15 -0.00 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 2vnl s TYR 32 Cb -0.17 -1.63 0.02 0.00 -0.11 0.00 0.00 41.96 40.07 2vnl s TYR 32 CO 0.06 0.40 -0.06 0.42 -1.11 0.00 0.00 175.55 175.25 2vnl s ILE 33 N -1.02 0.85 0.25 2.71 -1.09 -1.26 -1.49 121.20 120.15 2vnl s ILE 33 Ca 0.18 -0.22 0.05 0.00 -2.23 0.00 0.00 60.65 58.43 2vnl s ILE 33 Cb -0.11 -0.88 -0.02 0.00 -1.58 0.00 0.00 42.46 39.87 2vnl s ILE 33 CO 0.08 0.33 0.18 0.61 -1.23 0.00 0.00 174.94 174.91 2vnl n GLY 34 N 4.67 3.28 3.74 6.18 0.00 -0.69 -2.43 105.19 119.94 2vnl n GLY 34 Ca -0.15 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 2vnl n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vnl s GLN 35 N -3.02 2.62 0.21 1.61 -1.52 -0.46 -0.99 119.66 118.11 2vnl s GLN 35 Ca 0.26 1.80 -0.32 0.00 -1.95 0.00 0.00 55.36 55.15 2vnl s GLN 35 Cb 0.01 -1.89 -0.14 0.00 -0.22 0.00 0.00 33.01 30.78 2vnl s GLN 35 CO 0.18 -1.47 1.46 -0.89 -0.25 0.00 0.00 175.29 174.32 2vnl n ILE 36 N -2.07 0.61 -1.71 1.08 5.41 -1.26 -2.27 119.36 119.16 2vnl n ILE 36 Ca 0.14 -0.15 -0.13 0.00 1.00 0.00 0.00 62.75 63.60 2vnl n ILE 36 Cb 0.50 -1.48 -0.04 0.00 -0.71 0.00 0.00 39.64 37.91 2vnl n ILE 36 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2vnl n ASP 37 N 2.57 -4.41 -4.61 4.38 8.00 0.23 -4.90 116.55 117.82 2vnl n ASP 37 Ca 0.13 0.20 -0.27 0.00 0.71 0.00 0.00 54.79 55.57 2vnl n ASP 37 Cb 0.30 -3.27 -0.10 0.00 -0.02 0.00 0.00 41.12 38.03 2vnl n ASP 37 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2vnl s THR 38 N -2.55 2.13 -0.67 -3.53 -4.23 -0.96 -5.10 115.64 100.72 2vnl s THR 38 Ca 0.00 -2.04 -0.25 0.00 -1.18 0.00 0.00 61.69 58.22 2vnl s THR 38 Cb 0.00 -2.89 0.05 0.00 1.34 0.00 0.00 72.50 71.00 2vnl s THR 38 CO 0.00 -0.07 1.11 -0.62 -0.54 0.00 0.00 174.62 174.50 2vnl s ASP 39 N -3.70 6.21 0.00 3.99 -1.08 -1.26 -4.84 116.67 115.99 2vnl s ASP 39 Ca 0.35 -0.60 0.18 0.00 -0.52 0.00 0.00 52.55 51.95 2vnl s ASP 39 Cb 0.07 -2.49 0.93 0.00 -1.46 0.00 0.00 42.92 39.97 2vnl s ASP 39 CO 0.18 -1.58 1.53 -0.81 0.52 0.00 0.00 175.17 175.01 2vnl n PRO 40 N 8.42 0.30 0.10 4.34 -0.04 -1.26 -2.49 135.00 144.37 2vnl n PRO 40 Ca 0.01 0.10 -0.03 0.00 -0.04 0.00 0.00 63.50 63.53 2vnl n PRO 40 Cb 0.47 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.60 2vnl n PRO 40 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2vnl h VAL 41 N 0.00 1.37 -2.68 0.52 2.07 -1.92 -3.41 116.25 112.19 2vnl h VAL 41 Ca 0.00 -1.84 -0.56 0.00 0.82 0.00 0.00 66.70 65.12 2vnl h VAL 41 Cb 0.15 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2vnl h VAL 41 CO 0.00 0.54 1.14 0.21 0.02 0.00 0.00 177.57 179.48 2vnl s ASN 42 N -6.89 6.41 0.53 0.57 3.84 -1.04 -4.90 114.94 113.46 2vnl s ASN 42 Ca -0.04 1.80 0.26 0.00 0.21 0.00 0.00 52.86 55.09 2vnl s ASN 42 Cb 0.13 -2.53 1.39 0.00 -0.55 0.00 0.00 41.25 39.69 2vnl s ASN 42 CO 0.78 -1.20 1.98 -0.65 -2.79 0.00 0.00 177.10 175.22 2vnl h PRO 43 N 10.63 0.02 0.00 0.43 0.11 -1.89 0.09 132.00 141.39 2vnl h PRO 43 Ca -0.36 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 2vnl h PRO 43 Cb 1.16 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2vnl h PRO 43 CO 0.99 0.01 -0.02 0.00 -0.21 0.00 0.00 178.00 178.77 2vnl h ALA 44 N 1.70 1.15 -0.00 -0.75 0.00 -1.93 -1.99 119.26 117.44 2vnl h ALA 44 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2vnl h ALA 44 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2vnl h ALA 44 CO -0.01 0.02 -0.73 0.09 0.00 0.00 0.00 179.25 178.62 2vnl n ASN 45 N -3.33 0.86 -4.78 0.00 3.02 0.01 -4.98 115.26 106.07 2vnl n ASN 45 Ca -0.02 -0.72 -0.36 0.00 -0.03 0.00 0.00 54.58 53.44 2vnl n ASN 45 Cb 0.13 0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 39.90 2vnl n ASN 45 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2vnl s GLN 46 N -2.94 3.79 0.27 3.52 -0.21 -0.75 -1.35 119.66 121.98 2vnl s GLN 46 Ca 0.11 1.61 0.11 0.00 0.02 0.00 0.00 55.36 57.20 2vnl s GLN 46 Cb 0.17 -2.31 -0.05 0.00 1.00 0.00 0.00 33.01 31.82 2vnl s GLN 46 CO 0.77 -0.49 -0.12 0.96 -2.12 0.00 0.00 175.29 174.29 2vnl s ILE 47 N -1.69 2.88 0.19 1.08 -4.36 -1.02 -4.82 121.20 113.47 2vnl s ILE 47 Ca 0.65 -2.18 -0.33 0.00 -0.26 0.00 0.00 60.65 58.52 2vnl s ILE 47 Cb -0.24 -2.52 -0.14 0.00 1.25 0.00 0.00 42.46 40.81 2vnl s ILE 47 CO 0.29 -0.38 1.49 -2.65 0.24 0.00 0.00 174.94 173.93 2vnl n PRO 48 N -0.69 2.05 -4.78 0.37 -0.02 -1.26 -4.88 135.00 125.78 2vnl n PRO 48 Ca -0.06 0.73 -0.30 0.00 -2.02 0.00 0.00 63.50 61.86 2vnl n PRO 48 Cb 0.59 -2.45 -0.14 0.00 -0.02 0.00 0.00 33.50 31.49 2vnl n PRO 48 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2vnl s VAL 49 N 0.43 2.17 -0.00 -1.45 -7.23 -1.26 -4.68 120.40 108.38 2vnl s VAL 49 Ca 0.74 -1.48 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 2vnl s VAL 49 Cb -0.68 -1.87 -0.00 0.00 0.56 0.00 0.00 36.38 34.39 2vnl s VAL 49 CO 0.44 0.30 -0.04 -0.31 -0.31 0.00 0.00 175.10 175.18 2vnl s TYR 50 N -0.87 0.38 0.04 2.82 2.02 -0.72 -1.84 117.35 119.18 2vnl s TYR 50 Ca 0.12 -0.07 -0.30 0.00 -0.37 0.00 0.00 57.07 56.45 2vnl s TYR 50 Cb -0.10 -0.25 -0.05 0.00 -0.40 0.00 0.00 41.96 41.16 2vnl s TYR 50 CO 0.03 -0.01 1.17 0.42 -1.57 0.00 0.00 175.55 175.59 2vnl s ILE 51 N -0.04 4.17 -0.40 2.71 1.01 0.15 -0.59 121.20 128.22 2vnl s ILE 51 Ca 0.01 1.55 -0.16 0.00 0.00 0.00 0.00 60.65 62.05 2vnl s ILE 51 Cb -0.02 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.46 2vnl s ILE 51 CO -0.00 0.10 0.36 -0.70 0.00 0.00 0.00 174.94 174.70 2vnl s GLU 52 N 1.22 3.17 0.84 2.79 2.12 -0.51 -0.99 118.70 127.35 2vnl s GLU 52 Ca 0.57 -0.79 -0.12 0.00 0.36 0.00 0.00 54.97 55.00 2vnl s GLU 52 Cb -0.28 -3.93 0.10 0.00 0.26 0.00 0.00 34.13 30.28 2vnl s GLU 52 CO 0.28 -0.72 1.12 -0.80 -0.54 0.00 0.00 175.26 174.60 2vnl s ASN 53 N 1.74 4.13 0.23 -1.70 0.02 0.11 -4.56 114.94 114.91 2vnl s ASN 53 Ca 0.09 1.11 -0.07 0.00 -1.02 0.00 0.00 52.86 52.97 2vnl s ASN 53 Cb -0.18 -1.76 0.31 0.00 0.02 0.00 0.00 41.25 39.64 2vnl s ASN 53 CO 0.12 -2.17 1.82 -0.33 0.02 0.00 0.00 177.10 176.55 2vnl h GLU 54 N -1.23 0.77 0.00 -0.60 5.08 -1.98 -1.17 114.58 115.44 2vnl h GLU 54 Ca -0.48 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2vnl h GLU 54 Cb 1.30 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2vnl h GLU 54 CO 0.61 0.51 0.00 -0.40 -1.00 0.00 0.00 179.01 178.73 2vnl n ASP 55 N -4.73 0.00 0.00 1.42 5.68 -1.26 -4.87 116.55 112.79 2vnl n ASP 55 Ca 0.11 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.47 2vnl n ASP 55 Cb 0.20 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 2vnl n ASP 55 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2vnl n GLY 56 N 0.47 0.32 3.81 6.12 0.00 -0.44 -5.08 105.19 110.38 2vnl n GLY 56 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2vnl n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vnl s SER 57 N -2.31 4.94 -0.05 1.61 1.04 -1.26 -4.72 113.70 112.95 2vnl s SER 57 Ca 0.00 1.53 0.05 0.00 0.48 0.00 0.00 55.95 58.01 2vnl s SER 57 Cb 0.00 -2.34 -0.01 0.00 0.10 0.00 0.00 66.02 63.78 2vnl s SER 57 CO 0.00 -1.72 -0.19 -1.00 0.98 0.00 0.00 173.24 171.31 2vnl s HIS 58 N -3.06 1.87 -0.15 5.02 3.76 -1.26 0.06 115.29 121.53 2vnl s HIS 58 Ca 0.59 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 2vnl s HIS 58 Cb -0.15 -1.25 0.03 0.00 1.11 0.00 0.00 32.58 32.32 2vnl s HIS 58 CO 0.55 -0.17 -0.12 0.08 -0.85 0.00 0.00 174.74 174.22 2vnl s VAL 59 N -0.02 1.49 0.22 -0.90 1.01 -0.16 -4.96 120.40 117.08 2vnl s VAL 59 Ca -0.04 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 2vnl s VAL 59 Cb -0.12 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.73 2vnl s VAL 59 CO 0.02 0.40 1.28 -1.58 0.00 0.00 0.00 175.10 175.23 2vnl s GLN 60 N 1.51 4.41 0.30 2.72 0.74 -1.26 -0.67 119.66 127.41 2vnl s GLN 60 Ca 0.04 2.03 0.07 0.00 0.05 0.00 0.00 55.36 57.55 2vnl s GLN 60 Cb -0.13 -3.19 -0.06 0.00 1.10 0.00 0.00 33.01 30.73 2vnl s GLN 60 CO -0.10 -0.19 -0.04 0.96 -0.55 0.00 0.00 175.29 175.36 2vnl s ILE 61 N -0.14 1.67 0.63 -2.34 -4.36 -0.76 -4.92 121.20 110.98 2vnl s ILE 61 Ca 0.54 -2.11 -0.11 0.00 -0.26 0.00 0.00 60.65 58.71 2vnl s ILE 61 Cb -0.36 -2.55 -0.03 0.00 1.25 0.00 0.00 42.46 40.77 2vnl s ILE 61 CO 0.40 -0.23 1.03 0.42 0.24 0.00 0.00 174.94 176.80 2vnl s THR 62 N -2.99 4.56 0.17 8.37 -4.23 -1.26 -4.49 115.64 115.77 2vnl s THR 62 Ca 0.31 0.86 0.03 0.00 -1.18 0.00 0.00 61.69 61.71 2vnl s THR 62 Cb 0.05 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 2vnl s THR 62 CO 0.13 -1.06 0.29 -1.10 -0.54 0.00 0.00 174.62 172.34 2vnl s GLN 63 N -5.08 3.41 0.69 3.99 -0.21 -1.26 -4.46 119.66 116.75 2vnl s GLN 63 Ca 0.56 -0.65 -0.11 0.00 0.02 0.00 0.00 55.36 55.18 2vnl s GLN 63 Cb -0.12 -2.93 0.01 0.00 1.00 0.00 0.00 33.01 30.97 2vnl s GLN 63 CO 0.53 0.50 1.06 -1.25 -2.12 0.00 0.00 175.29 174.01 2vnl s PRO 64 N -3.37 2.98 0.47 2.91 0.04 -1.26 -5.15 135.00 131.61 2vnl s PRO 64 Ca 0.34 0.86 -0.22 0.00 0.04 0.00 0.00 61.00 62.02 2vnl s PRO 64 Cb -0.11 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 2vnl s PRO 64 CO 0.28 -1.04 1.09 -0.51 0.04 0.00 0.00 177.00 176.86 2vnl s LEU 65 N -5.49 3.93 -0.12 -3.56 1.43 0.00 -4.84 118.68 110.03 2vnl s LEU 65 Ca 0.58 2.09 -0.01 0.00 -1.03 0.00 0.00 54.13 55.76 2vnl s LEU 65 Cb -0.13 -4.41 -0.02 0.00 0.03 0.00 0.00 46.19 41.66 2vnl s LEU 65 CO 0.55 -0.84 -0.09 -0.63 0.23 0.00 0.00 176.35 175.57 2vnl s ILE 66 N -1.76 3.48 -0.20 -0.59 -1.09 -1.26 -1.21 121.20 118.57 2vnl s ILE 66 Ca 0.65 -0.52 -0.08 0.00 -2.23 0.00 0.00 60.65 58.47 2vnl s ILE 66 Cb -0.22 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 2vnl s ILE 66 CO 0.26 0.53 0.08 -0.63 -1.23 0.00 0.00 174.94 173.96 2vnl s ILE 67 N 0.04 4.81 0.52 2.92 1.01 -0.77 -1.31 121.20 128.41 2vnl s ILE 67 Ca -0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.53 2vnl s ILE 67 Cb -0.14 -3.19 0.12 0.00 0.01 0.00 0.00 42.46 39.26 2vnl s ILE 67 CO 0.03 0.42 0.70 -0.46 0.00 0.00 0.00 174.94 175.64 2vnl n ASN 68 N 3.85 0.17 0.30 3.58 6.94 0.13 -0.79 115.26 129.44 2vnl n ASN 68 Ca -0.16 -1.33 0.17 0.00 -0.02 0.00 0.00 54.58 53.24 2vnl n ASN 68 Cb 0.52 -0.53 0.93 0.00 -2.36 0.00 0.00 39.78 38.34 2vnl n ASN 68 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2vnl h ALA 69 N -1.66 1.23 -0.00 -2.53 0.00 -1.90 -1.18 119.26 113.21 2vnl h ALA 69 Ca -0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2vnl h ALA 69 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2vnl h ALA 69 CO 0.17 0.05 -0.19 0.00 0.00 0.00 0.00 179.25 179.28 2vnl n ALA 70 N -2.21 2.90 -0.88 0.00 0.00 -1.26 -4.75 120.51 114.30 2vnl n ALA 70 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2vnl n ALA 70 Cb 0.15 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2vnl n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vnl n GLY 71 N 1.35 0.46 3.63 0.00 0.00 -0.45 -4.78 105.19 105.40 2vnl n GLY 71 Ca 0.12 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 2vnl n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vnl s LYS 72 N -1.60 2.32 0.08 1.61 1.02 -1.26 -0.34 119.74 121.57 2vnl s LYS 72 Ca 0.00 -0.98 -0.30 0.00 0.02 0.00 0.00 55.97 54.71 2vnl s LYS 72 Cb 0.00 -2.40 -0.06 0.00 -0.52 0.00 0.00 37.83 34.86 2vnl s LYS 72 CO 0.00 0.51 1.15 0.42 -0.92 0.00 0.00 175.35 176.51 2vnl s ILE 73 N -1.35 4.10 0.15 2.17 1.01 -1.26 -0.69 121.20 125.32 2vnl s ILE 73 Ca 0.24 1.56 0.07 0.00 0.00 0.00 0.00 60.65 62.53 2vnl s ILE 73 Cb -0.11 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 2vnl s ILE 73 CO 0.16 0.15 -0.17 0.68 0.00 0.00 0.00 174.94 175.77 2vnl s VAL 74 N 0.78 1.63 -0.08 2.92 -7.23 -0.43 -2.34 120.40 115.65 2vnl s VAL 74 Ca 0.56 -1.83 -0.04 0.00 -1.81 0.00 0.00 61.98 58.86 2vnl s VAL 74 Cb -0.28 -1.72 0.04 0.00 0.56 0.00 0.00 36.38 34.98 2vnl s VAL 74 CO 0.30 -0.35 0.18 -0.47 -0.31 0.00 0.00 175.10 174.45 2vnl s TYR 75 N -2.07 -0.22 -1.63 2.82 5.04 -0.39 -4.26 117.35 116.65 2vnl s TYR 75 Ca 0.13 0.59 -0.15 0.00 -2.44 0.00 0.00 57.07 55.20 2vnl s TYR 75 Cb -0.05 -0.05 0.12 0.00 0.35 0.00 0.00 41.96 42.33 2vnl s TYR 75 CO 0.05 -0.19 0.76 0.09 -1.34 0.00 0.00 175.55 174.91 2vnl n ASN 76 N 4.27 -3.04 0.00 4.32 3.02 -1.26 -1.81 115.26 120.76 2vnl n ASN 76 Ca -0.25 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 2vnl n ASN 76 Cb 0.52 -3.00 0.00 0.00 -0.61 0.00 0.00 39.78 36.69 2vnl n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vnl n GLY 77 N -1.55 0.66 3.23 7.41 0.00 -1.26 -5.02 105.19 108.66 2vnl n GLY 77 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2vnl n GLY 77 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vnl s GLN 78 N -0.04 1.06 0.34 1.61 -1.52 -0.75 -5.11 119.66 115.25 2vnl s GLN 78 Ca 0.00 -1.00 -0.29 0.00 -1.95 0.00 0.00 55.36 52.12 2vnl s GLN 78 Cb 0.00 -1.19 -0.11 0.00 -0.22 0.00 0.00 33.01 31.49 2vnl s GLN 78 CO 0.00 0.28 1.53 1.28 -0.25 0.00 0.00 175.29 178.13 2vnl n LEU 79 N 1.40 4.55 -4.08 2.90 4.77 -1.26 -1.26 117.00 124.02 2vnl n LEU 79 Ca -0.19 1.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.86 2vnl n LEU 79 Cb 0.54 -1.60 -0.11 0.00 -2.33 0.00 0.00 43.42 39.92 2vnl n LEU 79 CO 0.22 0.13 -0.39 0.68 -1.33 0.00 0.00 177.39 176.70 2vnl s VAL 80 N -0.62 0.51 -0.37 4.08 -7.23 -0.99 -4.86 120.40 110.92 2vnl s VAL 80 Ca 0.58 -1.29 -0.18 0.00 -1.81 0.00 0.00 61.98 59.28 2vnl s VAL 80 Cb -0.49 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 35.60 2vnl s VAL 80 CO 0.57 -0.54 0.49 -0.75 -0.31 0.00 0.00 175.10 174.56 2vnl s LYS 81 N -2.19 3.46 -0.16 4.82 2.20 -1.26 -4.77 119.74 121.84 2vnl s LYS 81 Ca -0.05 -0.36 -0.08 0.00 -0.36 0.00 0.00 55.97 55.13 2vnl s LYS 81 Cb -0.06 -3.86 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 2vnl s LYS 81 CO -0.01 -0.71 0.10 0.42 -0.36 0.00 0.00 175.35 174.78 2vnl s ILE 82 N 2.33 5.15 0.17 5.43 -1.09 -1.26 -1.42 121.20 130.50 2vnl s ILE 82 Ca 0.17 0.09 0.08 0.00 -2.23 0.00 0.00 60.65 58.75 2vnl s ILE 82 Cb -0.16 -3.29 -0.04 0.00 -1.58 0.00 0.00 42.46 37.39 2vnl s ILE 82 CO 0.14 0.52 -0.17 0.68 -1.23 0.00 0.00 174.94 174.87 2vnl s VAL 83 N -0.18 1.74 0.01 2.92 -7.23 0.24 -4.96 120.40 112.95 2vnl s VAL 83 Ca 0.09 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.31 2vnl s VAL 83 Cb -0.12 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 34.98 2vnl s VAL 83 CO 0.01 -0.38 0.03 1.07 -0.31 0.00 0.00 175.10 175.51 2vnl n THR 84 N 0.19 0.00 -2.60 5.32 5.66 -1.26 -1.75 114.28 119.85 2vnl n THR 84 Ca -0.12 -0.03 -0.40 0.00 -3.05 0.00 0.00 64.05 60.44 2vnl n THR 84 Cb 0.58 0.03 -0.05 0.00 -1.55 0.00 0.00 70.33 69.34 2vnl n THR 84 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2vnl s VAL 85 N -2.88 3.88 0.24 1.08 1.01 -1.26 -4.94 120.40 117.53 2vnl s VAL 85 Ca 0.01 1.77 -0.07 0.00 0.00 0.00 0.00 61.98 63.68 2vnl s VAL 85 Cb -0.00 -4.13 0.27 0.00 0.00 0.00 0.00 36.38 32.52 2vnl s VAL 85 CO 0.00 0.37 1.64 -0.61 0.00 0.00 0.00 175.10 176.51 2vnl h GLN 86 N 4.47 0.11 -6.09 2.72 4.15 -2.02 -3.34 115.11 115.11 2vnl h GLN 86 Ca -0.45 -0.01 -0.60 0.00 0.77 0.00 0.00 58.65 58.37 2vnl h GLN 86 Cb 1.21 -0.02 -0.11 0.00 0.21 0.00 0.00 27.48 28.77 2vnl h GLN 86 CO 0.69 0.07 0.65 0.20 -1.93 0.00 0.00 178.83 178.51 2vnl s GLY 87 N -3.67 1.38 0.00 2.39 0.00 -1.26 -4.11 107.32 102.05 2vnl s GLY 87 Ca -0.13 -1.01 -0.26 0.00 0.00 0.00 0.00 44.72 43.32 2vnl s GLY 87 CO 0.75 2.13 0.58 -2.38 0.00 0.00 0.00 173.10 174.18 2vnl s HIS 88 N 4.07 -0.52 0.49 1.90 -3.43 -1.26 -4.48 115.29 112.06 2vnl s HIS 88 Ca 0.35 0.76 -0.08 0.00 -0.80 0.00 0.00 55.06 55.29 2vnl s HIS 88 Cb -0.11 0.36 -0.05 0.00 -1.43 0.00 0.00 32.58 31.36 2vnl s HIS 88 CO 0.23 -0.61 0.85 -1.54 -2.00 0.00 0.00 174.74 171.66 2vnl s SER 89 N -1.57 6.34 -0.09 7.38 1.04 -0.17 -1.39 113.70 125.25 2vnl s SER 89 Ca -0.09 1.12 -0.07 0.00 0.48 0.00 0.00 55.95 57.39 2vnl s SER 89 Cb -0.01 -2.33 0.03 0.00 0.10 0.00 0.00 66.02 63.81 2vnl s SER 89 CO 0.04 -0.60 0.23 -0.32 0.98 0.00 0.00 173.24 173.57 2vnl s MET 90 N -4.57 0.25 -0.03 4.02 0.00 0.02 -1.70 119.30 117.29 2vnl s MET 90 Ca 0.51 0.35 0.04 0.00 0.00 0.00 0.00 55.69 56.58 2vnl s MET 90 Cb -0.10 0.08 -0.00 0.00 0.00 0.00 0.00 34.83 34.81 2vnl s MET 90 CO 0.43 -0.06 -0.13 0.00 0.00 0.00 0.00 175.02 175.26 2vnl s ALA 91 N 0.32 1.19 -0.08 4.11 0.00 -0.56 -0.30 121.76 126.45 2vnl s ALA 91 Ca -0.02 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.45 2vnl s ALA 91 Cb -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.70 2vnl s ALA 91 CO -0.01 0.23 -0.21 0.42 0.00 0.00 0.00 175.76 176.19 2vnl s ILE 92 N 0.03 1.77 0.03 0.00 1.01 -0.50 -0.91 121.20 122.63 2vnl s ILE 92 Ca -0.02 -0.87 0.07 0.00 0.00 0.00 0.00 60.65 59.83 2vnl s ILE 92 Cb -0.09 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 2vnl s ILE 92 CO 0.01 0.50 -0.19 -0.31 0.00 0.00 0.00 174.94 174.94 2vnl s TYR 93 N 0.32 1.69 0.89 3.97 1.51 -0.00 -0.13 117.35 125.59 2vnl s TYR 93 Ca -0.14 -0.36 -0.10 0.00 -1.01 0.00 0.00 57.07 55.46 2vnl s TYR 93 Cb -0.16 -1.02 0.19 0.00 -0.11 0.00 0.00 41.96 40.86 2vnl s TYR 93 CO 0.06 0.06 1.21 0.16 -1.11 0.00 0.00 175.55 175.94 2vnl s ASP 94 N -1.03 3.41 0.50 2.29 1.47 -0.35 -0.88 116.67 122.09 2vnl s ASP 94 Ca 0.06 -0.13 0.28 0.00 1.18 0.00 0.00 52.55 53.95 2vnl s ASP 94 Cb -0.08 0.04 1.29 0.00 -0.34 0.00 0.00 42.92 43.83 2vnl s ASP 94 CO 0.01 -2.51 1.98 0.00 0.68 0.00 0.00 175.17 175.33 2vnl h ALA 95 N -1.27 1.12 0.00 2.11 0.00 -1.73 -0.90 119.26 118.60 2vnl h ALA 95 Ca -0.40 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2vnl h ALA 95 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2vnl h ALA 95 CO 0.34 0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.85 2vnl n ASN 96 N -3.43 0.00 0.00 0.00 3.02 -1.26 -4.92 115.26 108.67 2vnl n ASN 96 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 2vnl n ASN 96 Cb 0.31 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 2vnl n ASN 96 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vnl n GLY 97 N 0.94 0.66 3.75 7.41 0.00 -0.34 -5.05 105.19 112.56 2vnl n GLY 97 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 2vnl n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vnl s SER 98 N -2.23 7.59 -0.00 1.61 0.01 -1.26 -4.79 113.70 114.63 2vnl s SER 98 Ca 0.00 1.96 -0.30 0.00 1.31 0.00 0.00 55.95 58.92 2vnl s SER 98 Cb 0.00 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 2vnl s SER 98 CO 0.00 0.09 1.30 -1.58 0.41 0.00 0.00 173.24 173.46 2vnl s GLN 99 N -1.03 4.33 -0.14 12.44 0.74 -1.26 -1.21 119.66 133.53 2vnl s GLN 99 Ca 0.42 1.84 -0.10 0.00 0.05 0.00 0.00 55.36 57.57 2vnl s GLN 99 Cb -0.26 -3.51 -0.25 0.00 1.10 0.00 0.00 33.01 30.09 2vnl s GLN 99 CO 0.33 -0.47 0.33 0.28 -0.55 0.00 0.00 175.29 175.21 2vnl n VAL 100 N 4.49 1.73 -3.43 1.34 0.31 0.82 -4.94 118.33 118.65 2vnl n VAL 100 Ca 0.12 -0.52 -0.12 0.00 -0.01 0.00 0.00 64.34 63.81 2vnl n VAL 100 Cb 0.45 -1.81 -0.02 0.00 -0.91 0.00 0.00 33.84 31.55 2vnl n VAL 100 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2vnl s ASP 101 N -7.01 -0.56 -0.06 4.52 -1.08 -1.10 -4.66 116.67 106.72 2vnl s ASP 101 Ca -0.24 -0.01 -0.02 0.00 -0.52 0.00 0.00 52.55 51.76 2vnl s ASP 101 Cb 0.06 0.60 0.04 0.00 -1.46 0.00 0.00 42.92 42.16 2vnl s ASP 101 CO 0.73 -0.97 0.12 -0.47 0.52 0.00 0.00 175.17 175.09 2vnl s TYR 102 N -3.75 -0.11 -0.20 -5.34 5.04 -1.26 -1.41 117.35 110.31 2vnl s TYR 102 Ca 0.01 0.42 0.01 0.00 -2.44 0.00 0.00 57.07 55.07 2vnl s TYR 102 Cb -0.01 -0.18 0.04 0.00 0.35 0.00 0.00 41.96 42.16 2vnl s TYR 102 CO -0.13 -0.17 -0.14 0.42 -1.34 0.00 0.00 175.55 174.19 2vnl s ILE 103 N 1.45 1.89 0.19 3.14 -1.09 0.59 -5.00 121.20 122.37 2vnl s ILE 103 Ca -0.06 -1.08 -0.03 0.00 -2.23 0.00 0.00 60.65 57.25 2vnl s ILE 103 Cb -0.12 -1.86 -0.04 0.00 -1.58 0.00 0.00 42.46 38.85 2vnl s ILE 103 CO -0.05 0.28 1.52 0.00 -1.23 0.00 0.00 174.94 175.46 2vnl h ALA 104 N 7.93 0.72 -1.63 9.38 0.00 -1.88 0.09 119.26 133.87 2vnl h ALA 104 Ca -0.33 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 53.93 2vnl h ALA 104 Cb 1.10 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.53 2vnl h ALA 104 CO 0.53 0.68 -0.50 1.21 0.00 0.00 0.00 179.25 181.17 2vnl s ASN 105 N -6.90 0.09 0.52 0.00 3.84 -1.26 -0.60 114.94 110.63 2vnl s ASN 105 Ca -0.08 -0.21 0.25 0.00 0.21 0.00 0.00 52.86 53.04 2vnl s ASN 105 Cb 0.11 1.24 1.36 0.00 -0.55 0.00 0.00 41.25 43.41 2vnl s ASN 105 CO 0.84 -0.34 1.97 -0.37 -2.79 0.00 0.00 177.10 176.41 2vnl h VAL 106 N 6.14 0.72 0.00 -5.21 -1.51 -1.48 -0.07 116.25 114.85 2vnl h VAL 106 Ca -0.10 -0.02 -0.02 0.00 -1.23 0.00 0.00 66.70 65.33 2vnl h VAL 106 Cb 1.13 0.65 -0.00 0.00 -2.13 0.00 0.00 31.29 30.94 2vnl h VAL 106 CO 0.25 0.01 -0.11 -0.07 -1.23 0.00 0.00 177.57 176.42 2vnl h LEU 107 N 0.06 0.00 -0.22 4.19 3.38 -1.82 -1.88 115.31 119.02 2vnl h LEU 107 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2vnl h LEU 107 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2vnl h LEU 107 CO -0.02 0.11 0.00 0.29 0.09 0.00 0.00 178.44 178.91 2vnl n LYS 108 N -3.70 1.15 -0.35 1.13 5.02 -0.04 -3.08 118.16 118.30 2vnl n LYS 108 Ca -0.02 -0.22 0.10 0.00 -2.02 0.00 0.00 58.31 56.15 2vnl n LYS 108 Cb 0.23 -1.36 0.29 0.00 -0.02 0.00 0.00 35.03 34.17 2vnl n LYS 108 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2vnl n TRP 109 N -0.60 0.92 -1.77 2.13 7.02 -0.71 -4.99 117.44 119.44 2vnl n TRP 109 Ca 0.16 -0.51 -0.42 0.00 -1.02 0.00 0.00 57.50 55.71 2vnl n TRP 109 Cb 0.13 -0.02 -0.03 0.00 -2.42 0.00 0.00 31.31 28.97 2vnl n TRP 109 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 2vnl s ASP 110 N -1.00 6.51 0.29 -0.99 -4.77 -1.18 -4.88 116.67 110.65 2vnl s ASP 110 Ca 0.44 2.57 0.18 0.00 -3.30 0.00 0.00 52.55 52.45 2vnl s ASP 110 Cb 0.24 -2.54 0.11 0.00 -1.09 0.00 0.00 42.92 39.64 2vnl s ASP 110 CO 0.29 -1.01 1.36 1.55 0.70 0.00 0.00 175.17 178.06 2vnl h PRO 111 N 10.08 0.00 -5.78 2.11 0.13 -1.94 -3.44 132.00 133.16 2vnl h PRO 111 Ca -0.47 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.08 2vnl h PRO 111 Cb 1.22 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.27 2vnl h PRO 111 CO 0.94 0.27 0.04 -0.51 -0.23 0.00 0.00 178.00 178.51 2vnl s ASP 112 N -6.17 6.76 -0.48 1.44 1.01 -1.26 -5.01 116.67 112.97 2vnl s ASP 112 Ca 0.03 0.92 0.05 0.00 0.71 0.00 0.00 52.55 54.26 2vnl s ASP 112 Cb 0.07 -2.35 0.19 0.00 1.01 0.00 0.00 42.92 41.84 2vnl s ASP 112 CO 0.74 -0.15 0.43 1.67 0.21 0.00 0.00 175.17 178.06 2vnl n GLN 113 N 4.33 0.75 0.00 8.23 7.27 -1.26 -4.81 117.38 131.88 2vnl n GLN 113 Ca -0.03 -3.53 0.02 0.00 0.07 0.00 0.00 57.00 53.53 2vnl n GLN 113 Cb 0.51 -1.74 0.01 0.00 2.41 0.00 0.00 30.24 31.42 2vnl n GLN 113 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2vnl n TYR 114 N 2.28 0.00 0.39 3.69 4.01 -1.26 -4.43 117.16 121.85 2vnl n TYR 114 Ca 0.26 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.84 2vnl n TYR 114 Cb 0.46 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.41 2vnl n TYR 114 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2vnl h SER 115 N 0.48 -0.86 0.06 7.72 4.64 -2.00 -3.22 113.55 120.36 2vnl h SER 115 Ca 0.00 0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.23 2vnl h SER 115 Cb 0.12 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2vnl h SER 115 CO 0.00 -0.51 -0.34 -0.29 -0.87 0.00 0.00 176.83 174.82 2vnl h ILE 116 N -1.22 1.29 -0.96 0.95 2.10 -1.98 -2.05 117.51 115.63 2vnl h ILE 116 Ca -0.10 -1.41 0.06 0.00 1.08 0.00 0.00 64.86 64.49 2vnl h ILE 116 Cb 0.79 1.51 -0.06 0.00 -1.09 0.00 0.00 36.82 37.97 2vnl h ILE 116 CO 0.17 0.44 0.63 1.05 -1.08 0.00 0.00 178.15 179.35 2vnl h GLU 117 N 0.34 1.10 -0.15 2.19 4.11 -1.78 -2.65 114.58 117.75 2vnl h GLU 117 Ca 0.04 -0.07 -0.20 0.00 0.07 0.00 0.00 59.36 59.20 2vnl h GLU 117 Cb 0.76 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2vnl h GLU 117 CO 0.06 0.73 -0.73 0.00 0.07 0.00 0.00 179.01 179.14 2vnl h ALA 118 N 1.47 0.43 -0.46 1.06 0.00 -1.40 -2.97 119.26 117.39 2vnl h ALA 118 Ca 0.41 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2vnl h ALA 118 Cb 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2vnl h ALA 118 CO -0.16 0.71 0.18 -0.44 0.00 0.00 0.00 179.25 179.54 2vnl h ASP 119 N 0.48 0.60 -0.49 0.00 5.19 -1.14 0.69 116.42 121.74 2vnl h ASP 119 Ca -0.04 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.28 2vnl h ASP 119 Cb 1.33 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 2vnl h ASP 119 CO 0.14 0.55 0.22 0.50 -3.12 0.00 0.00 179.24 177.53 2vnl h LYS 120 N 0.65 0.73 -0.38 3.56 3.64 -1.44 -2.28 116.57 121.05 2vnl h LYS 120 Ca 0.16 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 2vnl h LYS 120 Cb 0.14 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2vnl h LYS 120 CO -0.01 0.63 -0.15 0.87 -2.27 0.00 0.00 179.45 178.51 2vnl h LYS 121 N 0.66 0.70 -0.39 1.90 1.57 -1.09 -1.48 116.57 118.44 2vnl h LYS 121 Ca 0.17 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2vnl h LYS 121 Cb 0.16 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2vnl h LYS 121 CO -0.02 0.82 0.08 0.74 -0.57 0.00 0.00 179.45 180.50 2vnl h PHE 122 N 0.63 0.68 -0.55 -1.35 0.04 -0.89 -2.47 116.94 113.02 2vnl h PHE 122 Ca 0.10 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2vnl h PHE 122 Cb 0.62 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 2vnl h PHE 122 CO 0.03 0.66 0.34 -0.22 -0.60 0.00 0.00 178.31 178.53 2vnl h LYS 123 N 0.49 0.73 -0.35 1.51 3.11 -1.10 -2.12 116.57 118.85 2vnl h LYS 123 Ca 0.12 -0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 57.82 2vnl h LYS 123 Cb 0.34 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 2vnl h LYS 123 CO 0.01 0.50 -0.14 0.37 -2.81 0.00 0.00 179.45 177.38 2vnl h GLN 124 N 0.75 0.71 -0.73 1.90 5.75 -1.04 -2.75 115.11 119.70 2vnl h GLN 124 Ca 0.20 -0.30 -0.05 0.00 -0.15 0.00 0.00 58.65 58.36 2vnl h GLN 124 Cb -0.05 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 2vnl h GLN 124 CO -0.04 0.89 0.27 0.82 -2.65 0.00 0.00 178.83 178.12 2vnl h ILE 125 N 0.49 1.25 -0.10 2.39 2.04 -1.22 -2.33 117.51 120.04 2vnl h ILE 125 Ca 0.08 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.13 2vnl h ILE 125 Cb 0.66 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2vnl h ILE 125 CO 0.04 0.33 0.07 -0.33 0.00 0.00 0.00 178.15 178.26 2vnl h GLU 126 N 1.05 0.04 -0.26 2.37 4.39 -1.34 -0.76 114.58 120.08 2vnl h GLU 126 Ca 0.24 -0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.76 2vnl h GLU 126 Cb 0.25 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2vnl h GLU 126 CO -0.02 0.03 -0.52 -0.44 -1.16 0.00 0.00 179.01 176.90 2vnl h ASP 127 N 0.04 0.91 -0.73 1.42 3.32 -1.12 -1.93 116.42 118.34 2vnl h ASP 127 Ca 0.04 -0.54 -0.05 0.00 0.02 0.00 0.00 57.03 56.50 2vnl h ASP 127 Cb 0.12 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2vnl h ASP 127 CO -0.00 1.28 0.26 0.11 -1.72 0.00 0.00 179.24 179.17 2vnl h LYS 128 N 0.58 1.12 -0.52 3.56 1.57 -1.04 -2.46 116.57 119.39 2vnl h LYS 128 Ca 0.01 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 2vnl h LYS 128 Cb 1.13 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 2vnl h LYS 128 CO 0.12 0.94 0.12 0.82 -0.57 0.00 0.00 179.45 180.87 2vnl h ILE 129 N 1.09 1.22 -0.31 1.86 2.04 -1.07 -0.47 117.51 121.86 2vnl h ILE 129 Ca 0.24 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 2vnl h ILE 129 Cb 0.26 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2vnl h ILE 129 CO -0.01 0.30 0.09 -0.33 0.00 0.00 0.00 178.15 178.19 2vnl h GLU 130 N 0.76 0.49 -0.67 2.37 5.08 -1.04 -0.57 114.58 121.00 2vnl h GLU 130 Ca 0.17 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2vnl h GLU 130 Cb 0.30 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2vnl h GLU 130 CO -0.00 0.55 0.20 0.93 -1.00 0.00 0.00 179.01 179.69 2vnl h GLU 131 N 0.34 1.03 -0.39 2.33 5.08 -1.17 -0.68 114.58 121.12 2vnl h GLU 131 Ca 0.10 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2vnl h GLU 131 Cb 0.27 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2vnl h GLU 131 CO -0.00 0.88 0.15 0.82 -1.00 0.00 0.00 179.01 179.87 2vnl h ILE 132 N 0.99 1.19 -0.80 3.13 2.04 -0.96 -1.87 117.51 121.23 2vnl h ILE 132 Ca 0.22 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 2vnl h ILE 132 Cb 0.29 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2vnl h ILE 132 CO -0.01 0.21 0.45 -0.07 0.00 0.00 0.00 178.15 178.74 2vnl h LEU 133 N 0.48 1.00 -0.74 1.44 3.38 -0.76 -1.31 115.31 118.79 2vnl h LEU 133 Ca 0.13 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2vnl h LEU 133 Cb 0.19 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 2vnl h LEU 133 CO -0.01 0.80 0.46 -1.28 0.09 0.00 0.00 178.44 178.49 2vnl h SER 134 N 1.11 0.73 -0.67 -0.43 0.87 -0.91 -0.76 113.55 113.49 2vnl h SER 134 Ca 0.28 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.86 2vnl h SER 134 Cb 0.01 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 2vnl h SER 134 CO -0.05 0.49 0.44 0.11 -0.53 0.00 0.00 176.83 177.29 2vnl h LYS 135 N 0.86 0.88 -0.25 2.24 1.57 -0.91 -1.53 116.57 119.43 2vnl h LYS 135 Ca 0.31 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2vnl h LYS 135 Cb 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2vnl h LYS 135 CO -0.14 0.58 0.14 0.82 -0.57 0.00 0.00 179.45 180.28 2vnl h ILE 136 N 0.91 1.11 -0.68 1.86 2.04 -0.80 -0.89 117.51 121.06 2vnl h ILE 136 Ca 0.25 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 2vnl h ILE 136 Cb -0.10 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 2vnl h ILE 136 CO -0.05 0.11 0.24 1.88 0.00 0.00 0.00 178.15 180.33 2vnl h TYR 137 N 0.30 1.04 -0.39 1.37 0.05 -0.99 0.67 116.97 119.03 2vnl h TYR 137 Ca 0.09 -0.08 0.02 0.00 0.05 0.00 0.00 58.73 58.81 2vnl h TYR 137 Cb 0.06 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 37.46 2vnl h TYR 137 CO -0.04 0.81 0.21 0.45 -1.05 0.00 0.00 178.16 178.55 2vnl h HIS 138 N 0.99 0.40 -0.40 4.88 3.86 -1.05 -0.79 115.15 123.04 2vnl h HIS 138 Ca 0.23 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.48 2vnl h HIS 138 Cb 0.24 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 2vnl h HIS 138 CO 0.02 0.23 0.20 0.82 0.86 0.00 0.00 177.93 180.06 2vnl h ILE 139 N 0.44 0.98 -0.72 2.45 2.04 -0.56 -0.95 117.51 121.18 2vnl h ILE 139 Ca 0.16 -0.14 0.12 0.00 1.00 0.00 0.00 64.86 66.00 2vnl h ILE 139 Cb 0.03 0.53 -0.08 0.00 -0.74 0.00 0.00 36.82 36.56 2vnl h ILE 139 CO -0.09 0.08 0.31 -0.33 0.00 0.00 0.00 178.15 178.12 2vnl h GLU 140 N 0.42 0.48 -0.66 2.37 5.08 -0.53 -1.14 114.58 120.59 2vnl h GLU 140 Ca 0.17 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2vnl h GLU 140 Cb 0.07 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2vnl h GLU 140 CO -0.11 0.32 0.18 -0.91 -1.00 0.00 0.00 179.01 177.49 2vnl h ASN 141 N 0.49 0.98 -0.56 1.42 2.35 -0.52 -0.83 115.58 118.92 2vnl h ASN 141 Ca 0.38 -0.22 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 2vnl h ASN 141 Cb 0.52 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 2vnl h ASN 141 CO -0.35 0.95 0.33 -0.33 -1.65 0.00 0.00 177.43 176.38 2vnl h GLU 142 N 0.97 0.63 -0.63 0.81 5.08 -0.58 -2.00 114.58 118.86 2vnl h GLU 142 Ca 0.21 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2vnl h GLU 142 Cb 0.33 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2vnl h GLU 142 CO -0.00 0.42 0.38 0.82 -1.00 0.00 0.00 179.01 179.63 2vnl h ILE 143 N 0.65 1.18 -0.66 3.13 2.04 -0.91 -0.99 117.51 121.95 2vnl h ILE 143 Ca 0.23 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.74 2vnl h ILE 143 Cb 0.05 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.39 2vnl h ILE 143 CO -0.11 0.19 0.37 0.00 0.00 0.00 0.00 178.15 178.60 2vnl h ALA 144 N 1.20 0.88 -0.08 1.87 0.00 -0.89 -0.37 119.26 121.86 2vnl h ALA 144 Ca 0.23 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2vnl h ALA 144 Cb -0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2vnl h ALA 144 CO -0.04 0.06 0.04 -0.09 0.00 0.00 0.00 179.25 179.22 2vnl h ARG 145 N 0.69 0.11 -0.31 0.00 2.43 -1.01 -1.89 114.38 114.39 2vnl h ARG 145 Ca 0.29 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.50 2vnl h ARG 145 Cb 0.16 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 2vnl h ARG 145 CO -0.17 0.17 -0.03 0.82 -1.51 0.00 0.00 179.97 179.25 2vnl h ILE 146 N 0.03 0.74 -0.89 1.20 2.04 -0.90 -1.32 117.51 118.42 2vnl h ILE 146 Ca 0.03 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.95 2vnl h ILE 146 Cb 0.09 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 2vnl h ILE 146 CO -0.00 0.01 0.54 0.11 0.00 0.00 0.00 178.15 178.81 2vnl h LYS 147 N 0.06 0.91 0.04 2.37 1.57 -0.88 -1.35 116.57 119.28 2vnl h LYS 147 Ca 0.15 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2vnl h LYS 147 Cb 0.22 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2vnl h LYS 147 CO -0.28 0.60 -0.02 -0.22 -0.57 0.00 0.00 179.45 178.97 2vnl h LYS 148 N 0.94 -0.05 -0.39 3.15 3.64 -0.97 -1.07 116.57 121.83 2vnl h LYS 148 Ca 0.41 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.88 2vnl h LYS 148 Cb 0.30 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.04 2vnl h LYS 148 CO -0.22 0.16 -0.29 -0.07 -2.27 0.00 0.00 179.45 176.76 2vnl h LEU 149 N -0.25 -0.97 -0.11 5.20 4.07 -0.79 -2.46 115.31 120.00 2vnl h LEU 149 Ca -0.00 0.18 0.00 0.00 0.08 0.00 0.00 57.88 58.14 2vnl h LEU 149 Cb 0.23 0.47 0.00 0.00 1.08 0.00 0.00 40.66 42.43 2vnl h LEU 149 CO 0.01 -0.30 -0.05 2.30 -1.08 0.00 0.00 178.44 179.32 2vnl n ILE 150 N -5.41 0.00 0.02 1.22 -5.35 -0.55 -5.12 119.36 104.17 2vnl n ILE 150 Ca 0.01 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 2vnl n ILE 150 Cb 0.33 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 37.91 2vnl n ILE 150 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40