#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vyn s MET 5 N 0.00 3.23 -0.18 0.00 -2.45 0.17 -4.86 119.30 115.22 1vyn s MET 5 Ca 0.00 -0.73 -0.42 0.00 -1.25 0.00 0.00 55.69 53.29 1vyn s MET 5 Cb 0.00 -3.10 -0.19 0.00 1.25 0.00 0.00 34.83 32.80 1vyn s MET 5 CO 0.00 -0.29 1.37 -2.30 1.05 0.00 0.00 175.02 174.85 1vyn n PRO 6 N 4.79 0.34 0.16 4.11 -0.02 -1.26 0.36 135.00 143.48 1vyn n PRO 6 Ca -0.17 0.12 0.03 0.00 -2.02 0.00 0.00 63.50 61.46 1vyn n PRO 6 Cb 0.50 -1.67 0.39 0.00 -0.02 0.00 0.00 33.50 32.69 1vyn n PRO 6 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1vyn h MET 7 N 4.43 0.10 -0.46 -0.52 2.86 -1.37 -0.99 114.93 118.98 1vyn h MET 7 Ca -0.48 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.03 1vyn h MET 7 Cb 1.38 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.01 1vyn h MET 7 CO 0.81 0.36 -0.13 0.82 1.06 0.00 0.00 176.91 179.83 1vyn h ILE 8 N 0.10 1.26 -0.87 -1.22 1.08 -1.77 0.16 117.51 116.25 1vyn h ILE 8 Ca 0.02 -1.23 -0.01 0.00 -0.39 0.00 0.00 64.86 63.24 1vyn h ILE 8 Cb 0.51 1.04 -0.04 0.00 -3.07 0.00 0.00 36.82 35.26 1vyn h ILE 8 CO 0.04 0.42 0.49 -0.08 -0.69 0.00 0.00 178.15 178.33 1vyn h GLU 9 N 0.77 1.19 -0.15 2.37 4.57 -1.63 0.21 114.58 121.91 1vyn h GLU 9 Ca 0.12 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1vyn h GLU 9 Cb 0.64 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1vyn h GLU 9 CO 0.04 0.86 0.05 -0.92 -1.18 0.00 0.00 179.01 177.87 1vyn h TYR 10 N 1.20 0.23 -0.76 0.92 3.20 -0.73 -0.59 116.97 120.44 1vyn h TYR 10 Ca 0.31 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1vyn h TYR 10 Cb -0.00 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 1vyn h TYR 10 CO 0.00 0.33 0.42 -0.07 -1.64 0.00 0.00 178.16 177.21 1vyn h LEU 11 N 0.06 0.94 0.28 2.82 3.38 -0.36 0.24 115.31 122.67 1vyn h LEU 11 Ca 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1vyn h LEU 11 Cb 0.20 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1vyn h LEU 11 CO -0.00 0.75 -0.13 -0.08 0.09 0.00 0.00 178.44 179.07 1vyn h GLU 12 N 1.04 -0.36 -0.04 1.13 4.81 -0.46 0.22 114.58 120.92 1vyn h GLU 12 Ca 0.27 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 1vyn h GLU 12 Cb 0.02 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1vyn h GLU 12 CO -0.04 -0.15 -0.21 0.00 -0.73 0.00 0.00 179.01 177.88 1vyn h ARG 13 N -0.50 0.21 0.01 1.92 3.08 -0.97 -2.04 114.38 116.07 1vyn h ARG 13 Ca -0.04 -0.17 -0.40 0.00 0.07 0.00 0.00 59.98 59.44 1vyn h ARG 13 Cb 0.38 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 1vyn h ARG 13 CO 0.06 0.83 -2.46 1.19 -1.07 0.00 0.00 179.97 178.52 1vyn n PHE 14 N -4.55 0.06 0.08 3.04 3.01 0.81 -3.25 117.46 116.67 1vyn n PHE 14 Ca -0.09 0.01 -0.23 0.00 1.01 0.00 0.00 57.45 58.16 1vyn n PHE 14 Cb 0.45 -1.01 -0.15 0.00 -0.01 0.00 0.00 39.48 38.76 1vyn n PHE 14 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1vyn h SER 15 N -0.14 0.62 0.46 4.37 0.02 -1.26 -3.36 113.55 114.27 1vyn h SER 15 Ca -0.59 -0.92 -0.23 0.00 -0.84 0.00 0.00 61.79 59.21 1vyn h SER 15 Cb 1.86 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 64.16 1vyn h SER 15 CO -0.13 1.68 -1.72 0.18 -1.14 0.00 0.00 176.83 175.70 1vyn n LEU 16 N -3.77 0.64 -1.85 5.07 4.77 0.68 -4.96 117.00 117.58 1vyn n LEU 16 Ca -0.21 0.29 -0.19 0.00 -0.03 0.00 0.00 56.01 55.87 1vyn n LEU 16 Cb 1.02 0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 42.25 1vyn n LEU 16 CO 0.52 0.27 -0.21 0.29 -1.33 0.00 0.00 177.39 176.92 1vyn n LYS 17 N -2.86 -1.41 0.00 3.23 4.76 -0.99 -4.89 118.16 116.00 1vyn n LYS 17 Ca -0.16 1.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.28 1vyn n LYS 17 Cb 0.94 -5.44 0.00 0.00 -1.84 0.00 0.00 35.03 28.69 1vyn n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vyn n ALA 18 N -0.64 0.00 -2.56 7.82 0.00 -0.80 -5.01 120.51 119.32 1vyn n ALA 18 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.90 1vyn n ALA 18 Cb 0.65 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.97 1vyn n ALA 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1vyn s LYS 19 N 3.36 2.66 0.06 0.00 2.20 -1.26 -4.26 119.74 122.49 1vyn s LYS 19 Ca 0.00 -0.64 -0.25 0.00 -0.36 0.00 0.00 55.97 54.72 1vyn s LYS 19 Cb 0.00 -2.48 -0.06 0.00 -1.51 0.00 0.00 37.83 33.79 1vyn s LYS 19 CO 0.00 0.61 0.76 0.42 -0.36 0.00 0.00 175.35 176.78 1vyn s ILE 20 N -0.68 4.67 0.05 5.43 -1.09 -1.26 -4.89 121.20 123.44 1vyn s ILE 20 Ca 0.10 1.63 -0.28 0.00 -2.23 0.00 0.00 60.65 59.87 1vyn s ILE 20 Cb -0.11 -4.11 0.09 0.00 -1.58 0.00 0.00 42.46 36.75 1vyn s ILE 20 CO 0.01 0.39 1.03 0.21 -1.23 0.00 0.00 174.94 175.36 1vyn s ASN 21 N -0.25 -0.19 0.35 3.58 3.84 -1.26 -5.01 114.94 115.99 1vyn s ASN 21 Ca 0.38 -0.22 0.26 0.00 0.21 0.00 0.00 52.86 53.49 1vyn s ASN 21 Cb -0.21 0.37 1.22 0.00 -0.55 0.00 0.00 41.25 42.08 1vyn s ASN 21 CO 0.23 -0.65 1.78 -0.55 -2.79 0.00 0.00 177.10 175.12 1vyn h ASN 22 N 2.00 0.00 0.85 -4.21 -1.07 -1.96 -0.29 115.58 110.90 1vyn h ASN 22 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.13 1vyn h ASN 22 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 1vyn h ASN 22 CO 0.27 0.00 -0.08 0.35 0.07 0.00 0.00 177.43 178.04 1vyn n THR 23 N -2.41 0.00 1.26 6.14 -2.24 -1.26 -2.84 114.28 112.93 1vyn n THR 23 Ca 0.00 -0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1vyn n THR 23 Cb 0.15 -0.37 0.33 0.00 -2.10 0.00 0.00 70.33 68.34 1vyn n THR 23 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1vyn n THR 24 N -1.45 0.00 -2.68 4.28 -2.24 -0.12 -4.99 114.28 107.08 1vyn n THR 24 Ca 0.08 -0.24 -0.01 0.00 -2.27 0.00 0.00 64.05 61.61 1vyn n THR 24 Cb 0.33 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1vyn n THR 24 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1vyn n ASN 25 N 0.00 -6.54 0.31 3.42 4.05 -1.13 -4.83 115.26 110.55 1vyn n ASN 25 Ca 0.14 0.04 0.19 0.00 0.45 0.00 0.00 54.58 55.41 1vyn n ASN 25 Cb 0.40 -4.37 1.01 0.00 1.23 0.00 0.00 39.78 38.05 1vyn n ASN 25 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1vyn h LEU 26 N 0.60 0.00 -0.35 1.20 4.07 -1.80 -1.17 115.31 117.86 1vyn h LEU 26 Ca 0.00 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.02 1vyn h LEU 26 Cb 0.95 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.64 1vyn h LEU 26 CO 0.22 0.02 0.04 0.44 -1.08 0.00 0.00 178.44 178.08 1vyn h ASP 27 N 0.00 -0.05 -0.34 -0.43 5.19 -1.90 0.36 116.42 119.25 1vyn h ASP 27 Ca -0.00 0.07 -0.15 0.00 -0.62 0.00 0.00 57.03 56.32 1vyn h ASP 27 Cb 0.15 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1vyn h ASP 27 CO 0.00 0.01 -0.38 0.22 -3.12 0.00 0.00 179.24 175.97 1vyn h TYR 28 N 0.15 1.06 -0.33 4.55 3.20 -1.56 -2.75 116.97 121.29 1vyn h TYR 28 Ca 0.17 -0.31 -0.08 0.00 3.14 0.00 0.00 58.73 61.64 1vyn h TYR 28 Cb 0.21 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1vyn h TYR 28 CO -0.21 1.12 -0.14 0.77 -1.64 0.00 0.00 178.16 178.07 1vyn h SER 29 N 0.73 0.58 -0.59 -2.11 0.02 -1.20 -1.89 113.55 109.08 1vyn h SER 29 Ca 0.06 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 1vyn h SER 29 Cb 0.96 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 1vyn h SER 29 CO 0.09 0.74 0.13 0.03 -1.14 0.00 0.00 176.83 176.68 1vyn h ARG 30 N 0.54 0.99 -0.66 3.45 -0.00 -0.13 0.66 114.38 119.24 1vyn h ARG 30 Ca 0.09 -0.23 -0.07 0.00 -0.50 0.00 0.00 59.98 59.27 1vyn h ARG 30 Cb 0.55 -0.13 -0.03 0.00 0.00 0.00 0.00 29.97 30.36 1vyn h ARG 30 CO 0.03 0.89 0.14 0.00 0.00 0.00 0.00 179.97 181.04 1vyn h ARG 31 N 0.94 1.05 0.00 0.04 2.47 -1.17 -2.31 114.38 115.40 1vyn h ARG 31 Ca 0.20 -0.25 -0.17 0.00 -1.26 0.00 0.00 59.98 58.49 1vyn h ARG 31 Cb 0.37 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 1vyn h ARG 31 CO 0.00 0.94 -0.83 0.35 0.56 0.00 0.00 179.97 181.00 1vyn h PHE 32 N 0.99 0.00 0.00 3.04 3.57 -0.88 -3.20 116.94 120.46 1vyn h PHE 32 Ca 0.21 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1vyn h PHE 32 Cb 0.38 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1vyn h PHE 32 CO 0.03 0.80 -0.01 1.28 -2.23 0.00 0.00 178.31 178.18 1vyn n LEU 33 N -3.29 0.07 0.23 0.59 7.99 0.23 -4.21 117.00 118.61 1vyn n LEU 33 Ca 0.00 0.49 -0.15 0.00 -0.01 0.00 0.00 56.01 56.34 1vyn n LEU 33 Cb 0.86 -0.48 -0.08 0.00 -0.11 0.00 0.00 43.42 43.62 1vyn n LEU 33 CO 0.44 -0.01 0.66 -0.08 -1.51 0.00 0.00 177.39 176.89 1vyn h GLU 34 N 0.00 -0.67 0.00 3.23 4.81 -1.42 -0.39 114.58 120.14 1vyn h GLU 34 Ca 0.00 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1vyn h GLU 34 Cb 0.52 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1vyn h GLU 34 CO 0.00 -0.45 -0.18 -1.00 -0.73 0.00 0.00 179.01 176.66 1vyn h PRO 35 N -0.70 0.00 -0.10 0.92 0.13 -1.81 -2.20 132.00 128.24 1vyn h PRO 35 Ca -0.03 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.90 1vyn h PRO 35 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1vyn h PRO 35 CO -0.02 0.18 -0.77 0.35 -0.23 0.00 0.00 178.00 177.50 1vyn h PHE 36 N 0.00 0.76 0.00 1.56 3.57 -1.65 -3.17 116.94 118.01 1vyn h PHE 36 Ca -0.00 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.15 1vyn h PHE 36 Cb 0.49 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1vyn h PHE 36 CO 0.00 1.13 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.95 1vyn h LEU 37 N 0.37 0.00 -8.52 0.59 4.07 -0.73 -3.45 115.31 107.64 1vyn h LEU 37 Ca -0.04 -0.03 -0.62 0.00 0.08 0.00 0.00 57.88 57.27 1vyn h LEU 37 Cb 1.37 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.09 1vyn h LEU 37 CO 0.14 0.01 1.49 -1.14 -1.08 0.00 0.00 178.44 177.87 1vyn n ARG 38 N -2.64 1.02 -1.27 1.13 0.63 -0.86 -2.00 116.66 112.66 1vyn n ARG 38 Ca 0.04 0.23 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 1vyn n ARG 38 Cb 0.49 -2.56 0.00 0.00 0.45 0.00 0.00 32.46 30.84 1vyn n ARG 38 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1vyn n GLY 39 N 6.42 1.01 3.82 5.14 0.00 0.12 -5.01 105.19 116.69 1vyn n GLY 39 Ca 0.42 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 1vyn n GLY 39 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vyn s ILE 40 N -2.16 1.99 -0.05 -0.61 -4.36 -0.85 -4.92 121.20 110.24 1vyn s ILE 40 Ca 0.00 -1.60 0.03 0.00 -0.26 0.00 0.00 60.65 58.83 1vyn s ILE 40 Cb 0.00 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 41.12 1vyn s ILE 40 CO 0.00 0.00 -0.15 0.20 0.24 0.00 0.00 174.94 175.23 1vyn s ASN 41 N -4.08 1.92 0.05 4.36 0.01 -1.26 0.01 114.94 115.96 1vyn s ASN 41 Ca 0.36 -0.32 0.04 0.00 -0.71 0.00 0.00 52.86 52.23 1vyn s ASN 41 Cb 0.00 -0.66 -0.02 0.00 0.41 0.00 0.00 41.25 40.98 1vyn s ASN 41 CO 0.21 0.10 -0.11 0.68 -1.51 0.00 0.00 177.10 176.47 1vyn s VAL 42 N 0.28 0.86 -0.52 1.60 -7.23 0.14 -4.52 120.40 111.02 1vyn s VAL 42 Ca -0.08 -1.07 -0.22 0.00 -1.81 0.00 0.00 61.98 58.80 1vyn s VAL 42 Cb -0.13 -0.84 0.04 0.00 0.56 0.00 0.00 36.38 36.02 1vyn s VAL 42 CO 0.03 -0.19 0.81 -0.69 -0.31 0.00 0.00 175.10 174.74 1vyn s VAL 43 N -1.11 4.59 -0.32 1.32 1.01 0.12 -0.28 120.40 125.73 1vyn s VAL 43 Ca -0.04 0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.77 1vyn s VAL 43 Cb -0.09 -4.42 -0.00 0.00 0.00 0.00 0.00 36.38 31.87 1vyn s VAL 43 CO 0.01 -0.95 0.71 -0.47 0.00 0.00 0.00 175.10 174.40 1vyn s TYR 44 N 3.40 3.19 -0.46 5.22 5.04 0.14 -0.48 117.35 133.40 1vyn s TYR 44 Ca 0.25 0.64 -0.15 0.00 -2.44 0.00 0.00 57.07 55.38 1vyn s TYR 44 Cb -0.15 -3.14 0.07 0.00 0.35 0.00 0.00 41.96 39.09 1vyn s TYR 44 CO 0.17 -0.56 0.37 0.99 -1.34 0.00 0.00 175.55 175.18 1vyn s THR 45 N 2.81 5.09 0.15 4.34 2.01 0.02 -1.57 115.64 128.49 1vyn s THR 45 Ca 0.29 -1.08 -0.31 0.00 0.31 0.00 0.00 61.69 60.90 1vyn s THR 45 Cb -0.14 -4.03 -0.08 0.00 0.01 0.00 0.00 72.50 68.25 1vyn s THR 45 CO 0.13 -0.55 1.37 -2.84 -0.69 0.00 0.00 174.62 172.04 1vyn s PRO 46 N 1.61 4.34 0.42 4.92 0.02 -1.26 -4.81 135.00 140.24 1vyn s PRO 46 Ca 0.04 2.08 -0.22 0.00 0.02 0.00 0.00 61.00 62.92 1vyn s PRO 46 Cb -0.24 -3.22 -0.12 0.00 0.02 0.00 0.00 34.50 30.94 1vyn s PRO 46 CO 0.06 -0.38 0.57 -2.30 -0.33 0.00 0.00 177.00 174.62 1vyn n PRO 47 N 3.45 0.60 0.29 5.54 -0.02 -1.26 -4.74 135.00 138.86 1vyn n PRO 47 Ca 0.10 0.22 0.19 0.00 -2.02 0.00 0.00 63.50 61.98 1vyn n PRO 47 Cb 0.42 -1.53 0.97 0.00 -0.02 0.00 0.00 33.50 33.34 1vyn n PRO 47 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1vyn h GLN 48 N 0.83 0.00 0.00 -0.52 4.20 -1.93 0.47 115.11 118.16 1vyn h GLN 48 Ca -0.40 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.31 1vyn h GLN 48 Cb 1.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.18 1vyn h GLN 48 CO 0.52 0.00 0.00 1.03 -0.67 0.00 0.00 178.83 179.71 1vyn h SER 49 N 0.00 0.00 0.20 1.46 0.87 -1.87 -3.00 113.55 111.20 1vyn h SER 49 Ca 0.03 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.41 1vyn h SER 49 Cb 0.34 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1vyn h SER 49 CO -0.00 0.00 -0.70 -0.26 -0.53 0.00 0.00 176.83 175.34 1vyn h PHE 50 N 0.00 0.60 -5.84 2.24 0.04 -0.29 -3.48 116.94 110.21 1vyn h PHE 50 Ca 0.00 -0.26 -0.39 0.00 2.80 0.00 0.00 57.97 60.13 1vyn h PHE 50 Cb 0.74 -0.10 0.13 0.00 2.20 0.00 0.00 35.95 38.93 1vyn h PHE 50 CO 0.00 1.01 -0.72 1.04 -0.60 0.00 0.00 178.31 179.04 1vyn n GLN 51 N -3.86 -7.31 -4.60 1.51 1.13 -1.14 -5.01 117.38 98.10 1vyn n GLN 51 Ca -0.04 0.81 -0.28 0.00 -1.94 0.00 0.00 57.00 55.54 1vyn n GLN 51 Cb 0.69 -5.82 -0.14 0.00 0.11 0.00 0.00 30.24 25.08 1vyn n GLN 51 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1vyn s SER 52 N -3.64 3.02 0.18 1.08 0.15 -1.26 -5.12 113.70 108.10 1vyn s SER 52 Ca 0.41 -0.65 -0.30 0.00 0.70 0.00 0.00 55.95 56.11 1vyn s SER 52 Cb -0.18 -0.23 -0.07 0.00 -1.71 0.00 0.00 66.02 63.82 1vyn s SER 52 CO 0.74 0.19 1.05 0.00 1.20 0.00 0.00 173.24 176.42 1vyn s ALA 53 N -0.94 3.34 -0.13 5.45 0.00 -1.26 -4.48 121.76 123.74 1vyn s ALA 53 Ca 0.11 0.74 -0.31 0.00 0.00 0.00 0.00 51.96 52.50 1vyn s ALA 53 Cb -0.10 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 1vyn s ALA 53 CO 0.04 -0.11 2.07 -0.35 0.00 0.00 0.00 175.76 177.41 1vyn n PRO 54 N 2.29 2.19 -4.82 0.00 -0.04 -1.26 -4.76 135.00 128.61 1vyn n PRO 54 Ca 0.02 0.72 -0.32 0.00 -0.04 0.00 0.00 63.50 63.88 1vyn n PRO 54 Cb 0.47 -2.96 -0.13 0.00 -0.04 0.00 0.00 33.50 30.84 1vyn n PRO 54 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1vyn s ARG 55 N 5.28 2.34 -0.24 0.54 6.06 -0.61 -4.87 118.95 127.44 1vyn s ARG 55 Ca 0.96 -0.81 -0.27 0.00 -2.50 0.00 0.00 55.73 53.11 1vyn s ARG 55 Cb -0.50 -2.30 0.01 0.00 0.06 0.00 0.00 34.95 32.22 1vyn s ARG 55 CO 0.42 0.59 0.97 0.08 -2.50 0.00 0.00 175.30 174.87 1vyn s VAL 56 N -0.81 4.72 0.08 7.11 1.01 -1.26 -0.68 120.40 130.56 1vyn s VAL 56 Ca 0.13 1.84 0.07 0.00 0.00 0.00 0.00 61.98 64.02 1vyn s VAL 56 Cb -0.11 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1vyn s VAL 56 CO 0.02 -0.18 -0.15 -0.31 0.00 0.00 0.00 175.10 174.49 1vyn s TYR 57 N 3.12 2.62 -0.25 5.22 2.02 0.62 -4.92 117.35 125.78 1vyn s TYR 57 Ca 0.41 -0.22 -0.15 0.00 -0.37 0.00 0.00 57.07 56.74 1vyn s TYR 57 Cb -0.15 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 1vyn s TYR 57 CO 0.07 0.34 0.36 0.50 -1.57 0.00 0.00 175.55 175.26 1vyn s ARG 58 N -1.83 4.06 -0.30 -0.62 3.52 -1.26 -0.68 118.95 121.84 1vyn s ARG 58 Ca 0.17 0.06 -0.29 0.00 -0.13 0.00 0.00 55.73 55.54 1vyn s ARG 58 Cb -0.11 -3.62 0.01 0.00 -1.56 0.00 0.00 34.95 29.68 1vyn s ARG 58 CO 0.09 -0.19 1.14 0.08 -0.81 0.00 0.00 175.30 175.61 1vyn s VAL 59 N 1.81 4.41 0.05 7.11 1.01 0.10 -2.80 120.40 132.09 1vyn s VAL 59 Ca 0.15 1.63 0.04 0.00 0.00 0.00 0.00 61.98 63.80 1vyn s VAL 59 Cb -0.15 -4.32 -0.24 0.00 0.00 0.00 0.00 36.38 31.66 1vyn s VAL 59 CO 0.09 -0.44 1.01 -1.13 0.00 0.00 0.00 175.10 174.63 1vyn h ASN 60 N 8.36 0.16 0.00 3.32 -1.24 -1.71 0.35 115.58 124.82 1vyn h ASN 60 Ca -0.22 -0.21 0.00 0.00 0.71 0.00 0.00 56.30 56.57 1vyn h ASN 60 Cb 1.07 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.07 1vyn h ASN 60 CO 1.03 1.18 0.00 0.61 -1.29 0.00 0.00 177.43 178.95 1vyn n GLY 61 N 1.51 -0.57 3.37 1.57 0.00 -1.11 -4.31 105.19 105.65 1vyn n GLY 61 Ca -0.09 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1vyn n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vyn s LEU 62 N 0.00 2.27 -0.16 0.99 1.43 -1.26 -0.76 118.68 121.18 1vyn s LEU 62 Ca 0.00 -0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 52.15 1vyn s LEU 62 Cb 0.00 -1.27 -0.00 0.00 0.03 0.00 0.00 46.19 44.94 1vyn s LEU 62 CO 0.00 0.22 1.05 -0.44 0.23 0.00 0.00 176.35 177.41 1vyn s SER 63 N -1.65 7.15 0.03 2.29 0.01 0.30 -4.84 113.70 116.98 1vyn s SER 63 Ca 0.13 1.49 0.07 0.00 1.31 0.00 0.00 55.95 58.95 1vyn s SER 63 Cb -0.10 -2.55 0.30 0.00 0.21 0.00 0.00 66.02 63.88 1vyn s SER 63 CO 0.04 -0.58 1.21 0.54 0.41 0.00 0.00 173.24 174.86 1vyn n ARG 64 N 5.72 0.02 -3.76 12.44 1.74 -1.26 -3.69 116.66 127.87 1vyn n ARG 64 Ca 0.11 0.43 -0.36 0.00 -0.77 0.00 0.00 57.85 57.26 1vyn n ARG 64 Cb 0.47 -1.54 -0.09 0.00 -1.02 0.00 0.00 32.46 30.28 1vyn n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vyn s ALA 65 N -3.05 3.57 0.65 7.54 0.00 -1.26 -5.04 121.76 124.18 1vyn s ALA 65 Ca 0.02 -0.81 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 1vyn s ALA 65 Cb 0.04 -2.18 -0.00 0.00 0.00 0.00 0.00 23.12 20.97 1vyn s ALA 65 CO 0.11 -0.03 1.21 -2.14 0.00 0.00 0.00 175.76 174.91 1vyn s PRO 66 N 0.74 2.62 0.59 0.00 0.02 -1.26 -3.33 135.00 134.38 1vyn s PRO 66 Ca 0.07 1.80 0.40 0.00 0.02 0.00 0.00 61.00 63.29 1vyn s PRO 66 Cb -0.13 -1.89 2.16 0.00 0.02 0.00 0.00 34.50 34.67 1vyn s PRO 66 CO 0.02 -1.48 2.22 0.00 -0.33 0.00 0.00 177.00 177.43 1vyn h ALA 67 N 0.37 1.00 0.00 -1.55 0.00 -0.77 0.14 119.26 118.45 1vyn h ALA 67 Ca -0.49 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 1vyn h ALA 67 Cb 1.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1vyn h ALA 67 CO 0.53 0.00 -0.73 0.66 0.00 0.00 0.00 179.25 179.71 1vyn h SER 68 N 0.00 0.00 -0.00 0.00 4.64 -1.77 0.83 113.55 117.25 1vyn h SER 68 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vyn h SER 68 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1vyn h SER 68 CO 0.00 0.73 -0.03 -1.54 -0.87 0.00 0.00 176.83 175.12 1vyn n SER 69 N -3.63 0.07 -4.71 4.97 3.41 -0.03 -4.85 113.62 108.84 1vyn n SER 69 Ca -0.01 -0.53 -0.39 0.00 -0.26 0.00 0.00 58.87 57.68 1vyn n SER 69 Cb 0.72 0.97 -0.06 0.00 -0.26 0.00 0.00 64.21 65.58 1vyn n SER 69 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1vyn s GLU 70 N -1.03 4.36 -0.20 4.33 2.56 0.28 -4.95 118.70 124.04 1vyn s GLU 70 Ca 0.00 0.61 -0.02 0.00 0.00 0.00 0.00 54.97 55.56 1vyn s GLU 70 Cb 0.01 -3.45 -0.01 0.00 2.00 0.00 0.00 34.13 32.68 1vyn s GLU 70 CO 0.03 0.09 -0.08 0.95 -0.56 0.00 0.00 175.26 175.69 1vyn s THR 71 N 0.80 3.12 0.15 -1.70 -4.23 -1.26 -3.28 115.64 109.24 1vyn s THR 71 Ca 0.30 -0.59 0.04 0.00 -1.18 0.00 0.00 61.69 60.26 1vyn s THR 71 Cb -0.16 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1vyn s THR 71 CO 0.13 0.46 0.16 0.72 -0.54 0.00 0.00 174.62 175.55 1vyn s PHE 72 N 1.22 3.23 -0.18 3.99 -0.71 -0.62 -4.82 117.98 120.09 1vyn s PHE 72 Ca 0.02 0.03 -0.14 0.00 -1.04 0.00 0.00 56.93 55.80 1vyn s PHE 72 Cb -0.14 -1.56 -0.04 0.00 -1.21 0.00 0.00 43.02 40.06 1vyn s PHE 72 CO -0.03 0.52 0.32 -2.00 -1.34 0.00 0.00 175.22 172.69 1vyn s GLU 73 N -3.02 4.22 -0.09 1.99 2.12 -1.26 -1.30 118.70 121.36 1vyn s GLU 73 Ca 0.32 0.11 -0.02 0.00 0.36 0.00 0.00 54.97 55.73 1vyn s GLU 73 Cb -0.11 -3.47 0.03 0.00 0.26 0.00 0.00 34.13 30.85 1vyn s GLU 73 CO 0.24 0.13 0.02 -1.58 -0.54 0.00 0.00 175.26 173.54 1vyn s HIS 74 N 0.79 0.58 -1.49 5.30 5.65 0.19 -4.77 115.29 121.54 1vyn s HIS 74 Ca 0.17 -0.19 0.00 0.00 0.25 0.00 0.00 55.06 55.28 1vyn s HIS 74 Cb -0.14 -0.77 0.00 0.00 -1.18 0.00 0.00 32.58 30.50 1vyn s HIS 74 CO 0.05 -0.35 0.00 -3.47 -0.65 0.00 0.00 174.74 170.32 1vyn n ASP 75 N 5.17 -4.92 -0.12 9.88 2.03 -1.26 -1.26 116.55 126.07 1vyn n ASP 75 Ca -0.07 0.08 -0.02 0.00 0.52 0.00 0.00 54.79 55.31 1vyn n ASP 75 Cb 0.50 -3.99 -0.01 0.00 -0.72 0.00 0.00 41.12 36.90 1vyn n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vyn n GLY 76 N -1.00 0.52 3.11 0.27 0.00 -1.26 -5.02 105.19 101.81 1vyn n GLY 76 Ca -0.19 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 1vyn n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vyn s LYS 77 N -1.49 2.60 -0.18 1.61 -0.14 -0.39 -5.10 119.74 116.65 1vyn s LYS 77 Ca 0.00 -0.70 -0.16 0.00 -1.36 0.00 0.00 55.97 53.75 1vyn s LYS 77 Cb 0.00 -2.15 -0.04 0.00 -1.68 0.00 0.00 37.83 33.96 1vyn s LYS 77 CO 0.00 -0.04 0.38 0.15 -0.76 0.00 0.00 175.35 175.08 1vyn s LYS 78 N 0.90 4.22 0.22 1.68 1.02 -1.26 0.55 119.74 127.07 1vyn s LYS 78 Ca -0.07 0.21 0.03 0.00 0.02 0.00 0.00 55.97 56.15 1vyn s LYS 78 Cb -0.15 -3.50 -0.05 0.00 -0.52 0.00 0.00 37.83 33.61 1vyn s LYS 78 CO -0.02 0.05 0.01 0.14 -0.92 0.00 0.00 175.35 174.62 1vyn s VAL 79 N 1.02 0.88 -0.02 3.17 -7.23 -0.42 -4.91 120.40 112.90 1vyn s VAL 79 Ca 0.19 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.27 1vyn s VAL 79 Cb -0.14 -2.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 1vyn s VAL 79 CO 0.07 -0.31 0.26 0.42 -0.31 0.00 0.00 175.10 175.23 1vyn s THR 80 N -3.52 5.32 0.49 5.32 -4.23 -1.26 -1.58 115.64 116.17 1vyn s THR 80 Ca 0.29 0.24 0.21 0.00 -1.18 0.00 0.00 61.69 61.25 1vyn s THR 80 Cb 0.06 -3.55 0.26 0.00 1.34 0.00 0.00 72.50 70.61 1vyn s THR 80 CO 0.08 0.43 2.10 0.40 -0.54 0.00 0.00 174.62 177.10 1vyn h ILE 81 N 3.28 0.84 0.07 2.99 5.03 -1.21 0.24 117.51 128.76 1vyn h ILE 81 Ca -0.51 -0.35 -0.00 0.00 -0.12 0.00 0.00 64.86 63.87 1vyn h ILE 81 Cb 1.21 1.20 0.00 0.00 -3.03 0.00 0.00 36.82 36.20 1vyn h ILE 81 CO 0.64 0.09 -0.04 0.00 -0.68 0.00 0.00 178.15 178.17 1vyn h ALA 82 N 1.91 -0.10 0.00 1.87 0.00 -1.19 -1.05 119.26 120.69 1vyn h ALA 82 Ca -0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1vyn h ALA 82 Cb 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1vyn h ALA 82 CO 0.01 -0.42 -0.64 0.77 0.00 0.00 0.00 179.25 178.97 1vyn h SER 83 N -0.37 0.00 -0.25 0.00 0.02 -1.68 -1.55 113.55 109.73 1vyn h SER 83 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1vyn h SER 83 Cb 0.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1vyn h SER 83 CO 0.02 0.64 0.16 0.22 -1.14 0.00 0.00 176.83 176.73 1vyn h TYR 84 N 0.00 0.32 -0.05 3.45 3.20 -0.43 0.44 116.97 123.90 1vyn h TYR 84 Ca -0.01 0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.67 1vyn h TYR 84 Cb 1.16 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.32 1vyn h TYR 84 CO 0.00 0.21 -0.81 0.74 -1.64 0.00 0.00 178.16 176.67 1vyn h PHE 85 N 0.34 0.58 -0.27 -3.82 0.04 -1.15 -2.82 116.94 109.84 1vyn h PHE 85 Ca 0.09 -0.28 -0.00 0.00 2.80 0.00 0.00 57.97 60.58 1vyn h PHE 85 Cb -0.03 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 1vyn h PHE 85 CO -0.06 1.06 0.17 1.25 -0.60 0.00 0.00 178.31 180.13 1vyn h HIS 86 N 0.27 0.36 0.00 -0.55 2.76 -0.94 0.13 115.15 117.17 1vyn h HIS 86 Ca -0.05 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1vyn h HIS 86 Cb 1.41 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.25 1vyn h HIS 86 CO 0.05 0.27 0.00 0.66 -1.30 0.00 0.00 177.93 177.61 1vyn h SER 87 N 0.35 0.00 -0.15 3.26 4.64 -1.00 -1.82 113.55 118.83 1vyn h SER 87 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1vyn h SER 87 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1vyn h SER 87 CO -0.02 0.00 0.00 -1.14 -0.87 0.00 0.00 176.83 174.80 1vyn n ARG 88 N -2.99 1.53 -2.47 4.77 3.00 -0.55 -4.86 116.66 115.09 1vyn n ARG 88 Ca 0.02 -0.61 -0.08 0.00 -0.00 0.00 0.00 57.85 57.18 1vyn n ARG 88 Cb 0.37 -1.31 0.01 0.00 0.00 0.00 0.00 32.46 31.53 1vyn n ARG 88 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1vyn n ASN 89 N 0.02 -3.11 -3.49 6.15 5.03 -0.68 -4.54 115.26 114.64 1vyn n ASN 89 Ca 0.06 -0.09 -0.29 0.00 0.87 0.00 0.00 54.58 55.13 1vyn n ASN 89 Cb 0.24 -2.10 -0.12 0.00 -1.02 0.00 0.00 39.78 36.79 1vyn n ASN 89 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1vyn s TYR 90 N -2.69 0.86 -0.29 3.10 5.04 0.34 -4.85 117.35 118.85 1vyn s TYR 90 Ca 0.09 -1.72 -0.28 0.00 -2.44 0.00 0.00 57.07 52.71 1vyn s TYR 90 Cb -0.04 -1.02 -0.02 0.00 0.35 0.00 0.00 41.96 41.23 1vyn s TYR 90 CO 0.11 -0.82 1.83 -1.25 -1.34 0.00 0.00 175.55 174.08 1vyn s PRO 91 N 0.97 3.39 0.25 4.97 0.04 -1.26 -2.89 135.00 140.47 1vyn s PRO 91 Ca 0.18 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.48 1vyn s PRO 91 Cb -0.23 -4.20 -0.13 0.00 0.04 0.00 0.00 34.50 29.98 1vyn s PRO 91 CO 0.00 -1.80 1.41 1.28 0.04 0.00 0.00 177.00 177.94 1vyn n LEU 92 N 10.17 3.25 0.23 -3.56 4.77 -1.26 -4.86 117.00 125.73 1vyn n LEU 92 Ca 0.23 1.15 0.08 0.00 -0.03 0.00 0.00 56.01 57.45 1vyn n LEU 92 Cb 0.46 -1.45 0.53 0.00 -2.33 0.00 0.00 43.42 40.64 1vyn n LEU 92 CO 0.68 -0.44 0.84 0.11 -1.33 0.00 0.00 177.39 177.25 1vyn h LYS 93 N 4.07 0.00 -2.12 3.23 1.57 -2.02 -3.32 116.57 117.99 1vyn h LYS 93 Ca -0.45 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.79 1vyn h LYS 93 Cb 1.27 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.23 1vyn h LYS 93 CO 0.75 0.23 -0.95 1.19 -0.57 0.00 0.00 179.45 180.10 1vyn n PHE 94 N -3.74 -1.17 0.24 -1.35 3.01 -1.26 -4.91 117.46 108.28 1vyn n PHE 94 Ca -0.01 -3.13 0.09 0.00 1.01 0.00 0.00 57.45 55.41 1vyn n PHE 94 Cb 0.34 0.30 0.49 0.00 -0.01 0.00 0.00 39.48 40.61 1vyn n PHE 94 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1vyn h PRO 95 N 5.24 0.00 -0.59 -1.08 0.11 -1.96 -0.05 132.00 133.67 1vyn h PRO 95 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1vyn h PRO 95 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1vyn h PRO 95 CO 0.35 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.18 1vyn n GLN 96 N -2.38 2.56 -2.01 1.05 6.02 -1.26 -3.02 117.38 118.33 1vyn n GLN 96 Ca -0.01 -2.11 -0.42 0.00 -0.01 0.00 0.00 57.00 54.45 1vyn n GLN 96 Cb 0.40 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 1vyn n GLN 96 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1vyn s LEU 97 N -1.16 4.37 0.39 1.08 1.43 -0.03 -4.60 118.68 120.16 1vyn s LEU 97 Ca 0.39 2.50 -0.27 0.00 -1.03 0.00 0.00 54.13 55.72 1vyn s LEU 97 Cb 0.22 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.75 1vyn s LEU 97 CO 0.24 -0.78 1.40 -1.00 0.23 0.00 0.00 176.35 176.44 1vyn s HIS 98 N 1.31 2.71 -0.16 0.29 3.76 -1.26 -0.18 115.29 121.76 1vyn s HIS 98 Ca 0.69 1.29 -0.29 0.00 -0.15 0.00 0.00 55.06 56.60 1vyn s HIS 98 Cb -0.41 -3.85 -0.02 0.00 1.11 0.00 0.00 32.58 29.40 1vyn s HIS 98 CO 0.31 -2.55 1.39 0.00 -0.85 0.00 0.00 174.74 173.04 1vyn s LEU 100 N 3.86 4.39 -0.34 0.00 2.96 0.98 0.11 118.68 130.64 1vyn s LEU 100 Ca 0.61 2.65 -0.00 0.00 -0.22 0.00 0.00 54.13 57.16 1vyn s LEU 100 Cb -0.24 -3.62 0.08 0.00 0.50 0.00 0.00 46.19 42.91 1vyn s LEU 100 CO 0.20 -0.69 0.07 0.21 -1.32 0.00 0.00 176.35 174.83 1vyn s ASN 101 N 0.33 4.95 0.34 3.68 2.47 0.06 -1.32 114.94 125.46 1vyn s ASN 101 Ca 0.59 -1.74 0.10 0.00 0.42 0.00 0.00 52.86 52.22 1vyn s ASN 101 Cb -0.41 -1.72 -0.06 0.00 -1.45 0.00 0.00 41.25 37.60 1vyn s ASN 101 CO 0.43 -0.38 -0.10 0.68 -3.72 0.00 0.00 177.10 174.01 1vyn s VAL 102 N 1.12 2.23 0.00 -5.21 -7.23 -0.42 -2.35 120.40 108.54 1vyn s VAL 102 Ca 0.03 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 57.98 1vyn s VAL 102 Cb -0.21 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.11 1vyn s VAL 102 CO -0.04 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 1vyn n GLY 103 N -0.77 1.08 3.50 2.32 0.00 -1.12 -0.64 105.19 109.55 1vyn n GLY 103 Ca -0.05 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 1vyn n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vyn s SER 104 N -4.00 0.59 0.08 1.61 0.01 0.02 -4.90 113.70 107.10 1vyn s SER 104 Ca 0.00 -1.34 -0.17 0.00 1.31 0.00 0.00 55.95 55.76 1vyn s SER 104 Cb 0.00 0.62 -0.10 0.00 0.21 0.00 0.00 66.02 66.75 1vyn s SER 104 CO 0.00 -1.23 1.40 0.28 0.41 0.00 0.00 173.24 174.11 1vyn h SER 105 N 2.19 0.62 0.54 2.44 0.02 -2.01 -3.19 113.55 114.16 1vyn h SER 105 Ca -0.28 -0.46 -0.09 0.00 -0.84 0.00 0.00 61.79 60.11 1vyn h SER 105 Cb 1.24 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1vyn h SER 105 CO 0.39 0.96 -0.42 0.16 -1.14 0.00 0.00 176.83 176.78 1vyn h ILE 106 N 0.30 1.18 -3.19 3.27 3.07 -2.01 -3.39 117.51 116.74 1vyn h ILE 106 Ca 0.04 -1.51 -0.53 0.00 1.55 0.00 0.00 64.86 64.41 1vyn h ILE 106 Cb 0.77 1.84 -0.40 0.00 -0.27 0.00 0.00 36.82 38.76 1vyn h ILE 106 CO 0.06 0.41 -0.76 -0.75 -1.05 0.00 0.00 178.15 176.06 1vyn s LYS 107 N -3.91 0.62 -0.28 0.16 2.36 -1.21 -5.11 119.74 112.38 1vyn s LYS 107 Ca -0.02 -0.59 -0.09 0.00 -2.55 0.00 0.00 55.97 52.73 1vyn s LYS 107 Cb 0.13 -1.99 -0.02 0.00 -1.05 0.00 0.00 37.83 34.90 1vyn s LYS 107 CO 0.72 -0.76 0.11 -1.12 1.55 0.00 0.00 175.35 175.85 1vyn s SER 108 N 1.83 5.39 -0.33 1.43 0.01 -1.21 -0.80 113.70 120.01 1vyn s SER 108 Ca 0.03 -0.31 -0.15 0.00 1.31 0.00 0.00 55.95 56.82 1vyn s SER 108 Cb -0.17 -1.97 -0.02 0.00 0.21 0.00 0.00 66.02 64.07 1vyn s SER 108 CO -0.15 -0.10 0.38 -0.63 0.41 0.00 0.00 173.24 173.15 1vyn s ILE 109 N 1.63 5.15 -0.29 1.44 1.01 0.18 -4.95 121.20 125.36 1vyn s ILE 109 Ca 0.06 0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.79 1vyn s ILE 109 Cb -0.16 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1vyn s ILE 109 CO 0.05 -0.07 0.10 -0.76 0.00 0.00 0.00 174.94 174.26 1vyn s LEU 110 N 2.07 3.87 -0.01 2.97 1.43 -1.25 -1.31 118.68 126.46 1vyn s LEU 110 Ca 0.13 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1vyn s LEU 110 Cb -0.16 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 1vyn s LEU 110 CO 0.12 -0.18 0.06 -1.48 0.23 0.00 0.00 176.35 175.10 1vyn s LEU 111 N 1.54 1.82 0.28 1.79 2.34 -0.43 -4.87 118.68 121.15 1vyn s LEU 111 Ca 0.04 -0.08 -0.29 0.00 0.06 0.00 0.00 54.13 53.85 1vyn s LEU 111 Cb -0.17 0.30 -0.10 0.00 -0.56 0.00 0.00 46.19 45.66 1vyn s LEU 111 CO 0.04 -0.16 1.14 -2.84 -1.06 0.00 0.00 176.35 173.47 1vyn s PRO 112 N -0.61 4.58 0.22 1.48 0.02 -1.26 -0.01 135.00 139.41 1vyn s PRO 112 Ca -0.07 1.89 0.19 0.00 0.02 0.00 0.00 61.00 63.03 1vyn s PRO 112 Cb -0.04 -3.17 0.90 0.00 0.02 0.00 0.00 34.50 32.21 1vyn s PRO 112 CO 0.00 0.12 1.58 1.51 -0.33 0.00 0.00 177.00 179.88 1vyn n ILE 113 N 1.19 1.06 0.28 2.83 0.13 -1.26 -1.65 119.36 121.94 1vyn n ILE 113 Ca -0.01 0.45 0.15 0.00 -1.10 0.00 0.00 62.75 62.24 1vyn n ILE 113 Cb 0.44 -1.39 0.81 0.00 -0.84 0.00 0.00 39.64 38.66 1vyn n ILE 113 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 1vyn h GLU 114 N 0.00 0.00 -0.59 9.51 4.57 -1.97 -1.46 114.58 124.64 1vyn h GLU 114 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1vyn h GLU 114 Cb 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1vyn h GLU 114 CO 0.00 0.08 0.00 1.28 -1.18 0.00 0.00 179.01 179.19 1vyn n LEU 115 N -3.52 3.38 -4.39 1.64 4.77 -0.66 -4.85 117.00 113.37 1vyn n LEU 115 Ca -0.02 -1.70 -0.31 0.00 -0.03 0.00 0.00 56.01 53.95 1vyn n LEU 115 Cb 0.21 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 40.71 1vyn n LEU 115 CO 0.28 0.69 -0.52 0.00 -1.33 0.00 0.00 177.39 176.51 1vyn s SER 117 N -0.99 3.14 -0.05 0.00 0.01 0.37 -1.12 113.70 115.05 1vyn s SER 117 Ca 0.12 -0.62 -0.09 0.00 1.31 0.00 0.00 55.95 56.67 1vyn s SER 117 Cb -0.10 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.82 1vyn s SER 117 CO 0.02 0.23 0.26 -0.51 0.41 0.00 0.00 173.24 173.64 1vyn s ILE 118 N -0.86 5.31 -0.40 1.44 2.07 0.16 0.10 121.20 129.01 1vyn s ILE 118 Ca 0.12 0.38 -0.29 0.00 -1.41 0.00 0.00 60.65 59.45 1vyn s ILE 118 Cb -0.10 -3.54 0.02 0.00 0.13 0.00 0.00 42.46 38.97 1vyn s ILE 118 CO 0.03 0.53 1.19 -0.70 -1.91 0.00 0.00 174.94 174.08 1vyn s GLU 119 N -1.26 3.81 0.00 3.50 2.56 -1.26 0.44 118.70 126.49 1vyn s GLU 119 Ca 0.21 0.84 0.30 0.00 0.00 0.00 0.00 54.97 56.33 1vyn s GLU 119 Cb -0.14 -3.88 1.49 0.00 2.00 0.00 0.00 34.13 33.60 1vyn s GLU 119 CO 0.10 -1.26 1.99 -0.85 -0.56 0.00 0.00 175.26 174.69