#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 3.97 0.01 0.00 -1.94 0.82 -4.88 119.30 117.28 1vyn s MET 5 Ca 0.00 -0.33 -0.35 0.00 -1.71 0.00 0.00 55.69 53.30 1vyn s MET 5 Cb 0.00 -3.46 -0.14 0.00 2.01 0.00 0.00 34.83 33.24 1vyn s MET 5 CO 0.00 0.02 1.68 -2.30 -0.01 0.00 0.00 175.02 174.41 1vyn n PRO 6 N 4.37 1.92 0.27 2.03 -0.02 -1.26 0.40 135.00 142.71 1vyn n PRO 6 Ca -0.15 0.70 0.15 0.00 -2.02 0.00 0.00 63.50 62.17 1vyn n PRO 6 Cb 0.52 -2.47 0.75 0.00 -0.02 0.00 0.00 33.50 32.28 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 7.11 0.00 -0.25 -0.52 2.86 -1.45 0.16 114.93 122.84 1vyn h MET 7 Ca -0.47 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.11 1vyn h MET 7 Cb 1.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 1vyn h MET 7 CO 0.90 0.09 -0.09 0.82 1.06 0.00 0.00 176.91 179.69 1vyn h ILE 8 N 0.00 1.29 -0.60 -1.22 1.08 -1.78 0.17 117.51 116.46 1vyn h ILE 8 Ca -0.00 -1.14 0.02 0.00 -0.39 0.00 0.00 64.86 63.34 1vyn h ILE 8 Cb 0.40 1.52 -0.03 0.00 -3.07 0.00 0.00 36.82 35.64 1vyn h ILE 8 CO 0.01 0.36 0.40 -0.08 -0.69 0.00 0.00 178.15 178.15 1vyn h GLU 9 N 0.23 0.75 -0.63 2.37 4.57 -1.53 -0.34 114.58 120.00 1vyn h GLU 9 Ca 0.06 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 1vyn h GLU 9 Cb 0.58 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1vyn h GLU 9 CO 0.03 0.50 0.05 -0.92 -1.18 0.00 0.00 179.01 177.49 1vyn h TYR 10 N 0.78 1.17 -0.17 0.92 3.20 -0.40 -1.44 116.97 121.02 1vyn h TYR 10 Ca 0.23 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1vyn h TYR 10 Cb -0.03 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 1vyn h TYR 10 CO -0.00 1.01 0.10 -0.07 -1.64 0.00 0.00 178.16 177.55 1vyn h LEU 11 N 0.99 0.21 0.21 2.82 3.38 0.42 0.18 115.31 123.53 1vyn h LEU 11 Ca 0.19 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1vyn h LEU 11 Cb 0.50 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1vyn h LEU 11 CO 0.02 0.22 -0.10 -0.08 0.09 0.00 0.00 178.44 178.59 1vyn h GLU 12 N 0.19 -0.27 0.01 1.13 4.81 -0.96 0.29 114.58 119.78 1vyn h GLU 12 Ca 0.06 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1vyn h GLU 12 Cb 0.05 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1vyn h GLU 12 CO -0.01 -0.11 -0.00 0.00 -0.73 0.00 0.00 179.01 178.16 1vyn h ARG 13 N -0.37 -0.01 0.05 1.92 3.08 -1.27 -1.39 114.38 116.40 1vyn h ARG 13 Ca -0.03 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.68 1vyn h ARG 13 Cb 0.28 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1vyn h ARG 13 CO 0.05 0.79 -2.03 1.19 -1.07 0.00 0.00 179.97 178.90 1vyn n PHE 14 N -4.67 0.81 -0.04 3.04 3.01 0.60 -3.06 117.46 117.16 1vyn n PHE 14 Ca -0.08 0.22 -0.21 0.00 1.01 0.00 0.00 57.45 58.38 1vyn n PHE 14 Cb 0.39 -1.12 -0.13 0.00 -0.01 0.00 0.00 39.48 38.61 1vyn n PHE 14 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1vyn n SER 15 N -3.21 2.06 -0.04 4.37 7.64 -0.86 -4.54 113.62 119.03 1vyn n SER 15 Ca -0.29 0.18 -0.18 0.00 1.01 0.00 0.00 58.87 59.58 1vyn n SER 15 Cb 1.06 -0.79 -0.14 0.00 -1.01 0.00 0.00 64.21 63.33 1vyn n SER 15 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1vyn n LEU 16 N -3.60 2.41 -3.04 -3.43 4.77 0.96 -4.97 117.00 110.10 1vyn n LEU 16 Ca -0.36 0.12 -0.23 0.00 -0.03 0.00 0.00 56.01 55.51 1vyn n LEU 16 Cb 0.98 -0.83 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1vyn n LEU 16 CO 0.35 0.81 -0.00 0.29 -1.33 0.00 0.00 177.39 177.51 1vyn n LYS 17 N -3.33 -4.85 0.00 3.23 4.01 -0.57 -4.95 118.16 111.70 1vyn n LYS 17 Ca -0.35 0.89 0.00 0.00 -0.51 0.00 0.00 58.31 58.34 1vyn n LYS 17 Cb 1.04 -5.75 0.00 0.00 -0.51 0.00 0.00 35.03 29.81 1vyn n LYS 17 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1vyn n ALA 18 N -3.57 0.00 -2.71 7.82 0.00 -0.89 -5.02 120.51 116.14 1vyn n ALA 18 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 1vyn n ALA 18 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 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 1.07 4.29 0.06 0.00 2.47 -1.26 -4.55 119.74 121.82 1vyn s LYS 19 Ca 0.00 0.33 -0.17 0.00 -1.56 0.00 0.00 55.97 54.57 1vyn s LYS 19 Cb 0.00 -3.45 -0.06 0.00 -1.46 0.00 0.00 37.83 32.85 1vyn s LYS 19 CO 0.00 0.13 0.52 -1.50 0.16 0.00 0.00 175.35 174.66 1vyn s ILE 20 N 0.74 4.84 0.12 5.43 -1.16 -1.26 -4.92 121.20 124.99 1vyn s ILE 20 Ca 0.23 1.06 -0.25 0.00 -0.51 0.00 0.00 60.65 61.18 1vyn s ILE 20 Cb -0.15 -3.82 0.08 0.00 0.61 0.00 0.00 42.46 39.18 1vyn s ILE 20 CO 0.08 0.53 1.10 0.21 -2.81 0.00 0.00 174.94 174.05 1vyn s ASN 21 N -1.17 -0.03 0.45 4.50 3.84 -1.26 -5.01 114.94 116.27 1vyn s ASN 21 Ca 0.28 -0.49 0.29 0.00 0.21 0.00 0.00 52.86 53.16 1vyn s ASN 21 Cb -0.18 0.39 1.05 0.00 -0.55 0.00 0.00 41.25 41.97 1vyn s ASN 21 CO 0.17 -0.77 1.85 -1.13 -2.79 0.00 0.00 177.10 174.43 1vyn h ASN 22 N 2.00 0.00 -0.12 -4.21 -1.24 -1.98 -3.04 115.58 106.99 1vyn h ASN 22 Ca -0.26 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.75 1vyn h ASN 22 Cb 1.21 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.26 1vyn h ASN 22 CO 0.33 0.00 0.00 0.35 -1.29 0.00 0.00 177.43 176.82 1vyn n THR 23 N -2.88 0.15 -2.36 -3.57 -2.24 -1.26 -4.84 114.28 97.27 1vyn n THR 23 Ca 0.02 -0.31 -0.24 0.00 -2.27 0.00 0.00 64.05 61.25 1vyn n THR 23 Cb 0.35 0.38 0.07 0.00 -2.10 0.00 0.00 70.33 69.02 1vyn n THR 23 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1vyn s THR 24 N -1.85 2.36 -0.33 4.28 -1.32 -1.15 -4.94 115.64 112.69 1vyn s THR 24 Ca 0.34 -0.41 -0.07 0.00 -1.21 0.00 0.00 61.69 60.34 1vyn s THR 24 Cb 0.18 -2.95 -0.22 0.00 -1.51 0.00 0.00 72.50 68.01 1vyn s THR 24 CO 0.28 0.00 3.35 0.59 -2.21 0.00 0.00 174.62 176.64 1vyn n ASN 25 N -2.78 5.71 0.30 8.08 3.02 -1.26 -4.56 115.26 123.77 1vyn n ASN 25 Ca 0.09 -2.46 0.16 0.00 -0.03 0.00 0.00 54.58 52.35 1vyn n ASN 25 Cb 0.60 -1.39 0.92 0.00 -0.61 0.00 0.00 39.78 39.31 1vyn n ASN 25 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 1vyn h LEU 26 N 5.49 0.00 0.22 3.41 8.10 -1.88 -0.28 115.31 130.37 1vyn h LEU 26 Ca 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.30 1vyn h LEU 26 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.42 1vyn h LEU 26 CO 0.56 0.03 -0.11 -0.78 -4.11 0.00 0.00 178.44 174.03 1vyn h ASP 27 N 0.00 -0.28 0.57 0.17 1.82 -1.84 -0.68 116.42 116.19 1vyn h ASP 27 Ca -0.00 0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.50 1vyn h ASP 27 Cb 0.11 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 1vyn h ASP 27 CO 0.00 -0.19 -0.70 1.88 -1.61 0.00 0.00 179.24 178.62 1vyn h TYR 28 N -0.31 0.15 -0.54 0.28 0.05 -1.69 -2.22 116.97 112.69 1vyn h TYR 28 Ca -0.03 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.66 1vyn h TYR 28 Cb 0.24 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 1vyn h TYR 28 CO -0.07 0.77 0.22 0.77 -1.05 0.00 0.00 178.16 178.80 1vyn h SER 29 N 0.07 0.71 0.00 3.88 0.02 -0.85 -0.51 113.55 116.88 1vyn h SER 29 Ca -0.01 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1vyn h SER 29 Cb 1.24 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1vyn h SER 29 CO 0.10 0.64 -0.00 0.03 -1.14 0.00 0.00 176.83 176.46 1vyn h ARG 30 N 0.77 -0.01 -0.98 3.45 2.47 -1.01 -2.93 114.38 116.15 1vyn h ARG 30 Ca 0.19 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.98 1vyn h ARG 30 Cb 0.15 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.40 1vyn h ARG 30 CO -0.02 0.82 0.64 0.00 0.56 0.00 0.00 179.97 181.97 1vyn h ARG 31 N -0.85 1.10 0.00 0.04 3.08 -1.22 0.80 114.38 117.34 1vyn h ARG 31 Ca -0.00 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 1vyn h ARG 31 Cb 0.83 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1vyn h ARG 31 CO 0.00 0.73 -0.37 0.35 -1.07 0.00 0.00 179.97 179.61 1vyn h PHE 32 N 1.13 0.00 -0.00 3.04 3.04 -1.23 -3.18 116.94 119.73 1vyn h PHE 32 Ca 0.43 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.38 1vyn h PHE 32 Cb 0.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.71 1vyn h PHE 32 CO -0.00 0.37 -0.30 -0.11 -2.02 0.00 0.00 178.31 176.24 1vyn n LEU 33 N -3.24 0.45 0.08 0.59 7.94 0.11 -4.34 117.00 118.60 1vyn n LEU 33 Ca 0.02 0.07 -0.13 0.00 -1.11 0.00 0.00 56.01 54.86 1vyn n LEU 33 Cb 0.64 -0.28 -0.06 0.00 0.53 0.00 0.00 43.42 44.25 1vyn n LEU 33 CO 0.38 0.10 0.62 -0.08 -1.11 0.00 0.00 177.39 177.30 1vyn h GLU 34 N 0.24 -0.53 0.00 1.96 4.81 -1.10 0.03 114.58 119.98 1vyn h GLU 34 Ca 0.00 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1vyn h GLU 34 Cb 0.48 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 1vyn h GLU 34 CO 0.00 -0.35 -0.06 -1.00 -0.73 0.00 0.00 179.01 176.87 1vyn h PRO 35 N -0.55 0.00 -0.04 0.92 0.13 -1.83 -1.48 132.00 129.15 1vyn h PRO 35 Ca 0.04 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.97 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 -0.26 0.06 -0.84 0.35 -0.23 0.00 0.00 178.00 177.08 1vyn h PHE 36 N 0.00 0.57 0.00 1.56 3.57 -1.42 -3.22 116.94 118.00 1vyn h PHE 36 Ca -0.00 -0.28 -0.01 0.00 3.53 0.00 0.00 57.97 61.21 1vyn h PHE 36 Cb 0.43 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1vyn h PHE 36 CO 0.00 1.07 -0.88 -0.07 -2.23 0.00 0.00 178.31 176.20 1vyn h LEU 37 N 0.25 0.00 -8.54 0.59 3.38 -0.73 -3.45 115.31 106.81 1vyn h LEU 37 Ca -0.05 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.52 1vyn h LEU 37 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1vyn h LEU 37 CO 0.14 0.03 1.42 -1.14 0.09 0.00 0.00 178.44 178.99 1vyn n ARG 38 N -2.75 0.92 0.00 1.13 0.63 -0.59 -1.89 116.66 114.11 1vyn n ARG 38 Ca 0.00 -0.13 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 1vyn n ARG 38 Cb 0.56 -3.39 0.00 0.00 0.45 0.00 0.00 32.46 30.08 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 6.14 1.82 3.80 5.14 0.00 0.66 -4.95 105.19 117.79 1vyn n GLY 39 Ca 0.40 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 1.54 -0.02 -0.61 -4.36 -0.79 -4.95 121.20 110.01 1vyn s ILE 40 Ca 0.00 -1.79 0.02 0.00 -0.26 0.00 0.00 60.65 58.62 1vyn s ILE 40 Cb 0.00 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.38 1vyn s ILE 40 CO 0.00 0.00 -0.06 0.54 0.24 0.00 0.00 174.94 175.66 1vyn s ASN 41 N -4.00 0.83 0.03 4.36 4.22 -1.26 0.38 114.94 119.50 1vyn s ASN 41 Ca 0.22 -0.12 0.03 0.00 -2.14 0.00 0.00 52.86 50.84 1vyn s ASN 41 Cb 0.01 -0.21 -0.02 0.00 1.28 0.00 0.00 41.25 42.31 1vyn s ASN 41 CO 0.13 0.04 -0.09 0.68 -2.04 0.00 0.00 177.10 175.82 1vyn s VAL 42 N 0.21 0.63 -0.35 3.54 -7.23 -0.35 -4.55 120.40 112.31 1vyn s VAL 42 Ca -0.02 -0.83 -0.19 0.00 -1.81 0.00 0.00 61.98 59.12 1vyn s VAL 42 Cb -0.07 -0.63 -0.00 0.00 0.56 0.00 0.00 36.38 36.24 1vyn s VAL 42 CO -0.00 -0.16 0.55 0.68 -0.31 0.00 0.00 175.10 175.86 1vyn s VAL 43 N -0.92 4.98 -0.36 1.32 -7.23 0.10 -0.21 120.40 118.08 1vyn s VAL 43 Ca -0.04 0.45 -0.22 0.00 -1.81 0.00 0.00 61.98 60.36 1vyn s VAL 43 Cb -0.07 -3.99 0.01 0.00 0.56 0.00 0.00 36.38 32.88 1vyn s VAL 43 CO 0.00 -0.23 0.71 -0.47 -0.31 0.00 0.00 175.10 174.81 1vyn s TYR 44 N 2.48 3.13 -0.46 2.82 5.04 0.95 -0.06 117.35 131.26 1vyn s TYR 44 Ca 0.21 0.45 -0.17 0.00 -2.44 0.00 0.00 57.07 55.12 1vyn s TYR 44 Cb -0.15 -3.28 0.05 0.00 0.35 0.00 0.00 41.96 38.93 1vyn s TYR 44 CO 0.13 -0.68 0.45 0.95 -1.34 0.00 0.00 175.55 175.06 1vyn s THR 45 N 2.91 5.11 0.10 4.34 -4.23 -0.11 -1.83 115.64 121.94 1vyn s THR 45 Ca 0.28 -0.66 -0.31 0.00 -1.18 0.00 0.00 61.69 59.82 1vyn s THR 45 Cb -0.14 -4.11 -0.07 0.00 1.34 0.00 0.00 72.50 69.52 1vyn s THR 45 CO 0.16 -0.55 1.28 -2.84 -0.54 0.00 0.00 174.62 172.13 1vyn s PRO 46 N 2.03 4.39 0.95 3.99 0.02 -1.26 -4.84 135.00 140.27 1vyn s PRO 46 Ca 0.09 1.91 -0.12 0.00 0.02 0.00 0.00 61.00 62.91 1vyn s PRO 46 Cb -0.20 -3.29 0.09 0.00 0.02 0.00 0.00 34.50 31.12 1vyn s PRO 46 CO 0.10 -0.31 0.74 -0.35 -0.33 0.00 0.00 177.00 176.85 1vyn n PRO 47 N 3.75 -0.45 0.25 5.54 -0.04 -1.26 -4.65 135.00 138.13 1vyn n PRO 47 Ca 0.09 -0.08 0.17 0.00 -0.04 0.00 0.00 63.50 63.64 1vyn n PRO 47 Cb 0.44 -2.09 0.86 0.00 -0.04 0.00 0.00 33.50 32.67 1vyn n PRO 47 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1vyn h GLN 48 N -1.76 0.00 0.00 0.54 1.08 -1.95 0.14 115.11 113.16 1vyn h GLN 48 Ca -0.44 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 56.60 1vyn h GLN 48 Cb 1.28 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.69 1vyn h GLN 48 CO 0.38 0.00 -0.74 0.66 -0.95 0.00 0.00 178.83 178.17 1vyn h SER 49 N 0.00 0.00 0.62 1.46 4.64 -1.89 -3.28 113.55 115.10 1vyn h SER 49 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 1vyn h SER 49 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 1vyn h SER 49 CO 0.00 0.74 -1.45 -0.26 -0.87 0.00 0.00 176.83 175.00 1vyn h PHE 50 N 0.00 0.16 -6.81 4.77 -1.00 -1.00 -3.48 116.94 109.58 1vyn h PHE 50 Ca -0.01 -0.12 -0.56 0.00 2.81 0.00 0.00 57.97 60.09 1vyn h PHE 50 Cb 1.48 -0.01 -0.11 0.00 3.61 0.00 0.00 35.95 40.92 1vyn h PHE 50 CO 0.00 1.15 -0.94 0.00 -1.61 0.00 0.00 178.31 176.91 1vyn n GLN 51 N -3.28 -1.71 -4.43 1.51 10.64 -0.98 -4.96 117.38 114.15 1vyn n GLN 51 Ca -0.12 0.22 -0.23 0.00 -1.83 0.00 0.00 57.00 55.04 1vyn n GLN 51 Cb 1.02 -3.82 -0.10 0.00 -0.86 0.00 0.00 30.24 26.47 1vyn n GLN 51 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1vyn s SER 52 N -4.23 3.31 0.28 2.61 0.15 -1.26 -5.12 113.70 109.45 1vyn s SER 52 Ca 0.09 -1.02 -0.29 0.00 0.70 0.00 0.00 55.95 55.43 1vyn s SER 52 Cb -0.04 -0.25 -0.10 0.00 -1.71 0.00 0.00 66.02 63.91 1vyn s SER 52 CO 0.95 -0.01 1.34 0.00 1.20 0.00 0.00 173.24 176.72 1vyn s ALA 53 N -2.57 3.54 -0.04 5.45 0.00 -1.26 -4.57 121.76 122.30 1vyn s ALA 53 Ca 0.27 1.24 -0.30 0.00 0.00 0.00 0.00 51.96 53.18 1vyn s ALA 53 Cb -0.04 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 1vyn s ALA 53 CO 0.13 -0.64 2.05 -2.30 0.00 0.00 0.00 175.76 175.00 1vyn n PRO 54 N 1.58 2.58 -4.23 0.00 -0.02 -1.26 -4.82 135.00 128.82 1vyn n PRO 54 Ca 0.03 0.89 -0.35 0.00 -2.02 0.00 0.00 63.50 62.05 1vyn n PRO 54 Cb 0.42 -3.07 -0.10 0.00 -0.02 0.00 0.00 33.50 30.72 1vyn n PRO 54 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1vyn s ARG 55 N 5.06 3.52 -0.39 -0.52 1.81 -0.76 -4.85 118.95 122.81 1vyn s ARG 55 Ca 0.93 -0.40 -0.23 0.00 -1.72 0.00 0.00 55.73 54.31 1vyn s ARG 55 Cb -0.41 -2.99 0.01 0.00 -0.45 0.00 0.00 34.95 31.12 1vyn s ARG 55 CO 0.40 0.44 0.77 0.54 -0.68 0.00 0.00 175.30 176.77 1vyn s VAL 56 N -0.15 4.72 -0.11 3.52 0.11 -1.26 -0.03 120.40 127.21 1vyn s VAL 56 Ca 0.05 0.70 -0.03 0.00 -2.93 0.00 0.00 61.98 59.77 1vyn s VAL 56 Cb -0.12 -4.23 -0.03 0.00 -1.53 0.00 0.00 36.38 30.46 1vyn s VAL 56 CO 0.02 -0.51 0.03 -0.31 -3.33 0.00 0.00 175.10 170.99 1vyn s TYR 57 N 3.11 3.22 -0.45 1.54 2.02 0.71 -4.90 117.35 122.61 1vyn s TYR 57 Ca 0.30 0.19 -0.25 0.00 -0.37 0.00 0.00 57.07 56.94 1vyn s TYR 57 Cb -0.13 -1.85 0.03 0.00 -0.40 0.00 0.00 41.96 39.60 1vyn s TYR 57 CO 0.19 0.44 0.90 0.50 -1.57 0.00 0.00 175.55 176.01 1vyn s ARG 58 N -0.67 3.55 -0.24 -0.62 3.00 -1.26 -1.21 118.95 121.50 1vyn s ARG 58 Ca 0.11 0.17 -0.29 0.00 -1.00 0.00 0.00 55.73 54.72 1vyn s ARG 58 Cb -0.12 -3.91 -0.02 0.00 0.00 0.00 0.00 34.95 30.90 1vyn s ARG 58 CO 0.02 -1.17 1.53 0.08 0.00 0.00 0.00 175.30 175.76 1vyn s VAL 59 N 3.66 3.82 -0.22 7.11 1.01 0.16 -0.13 120.40 135.81 1vyn s VAL 59 Ca 0.36 0.92 0.21 0.00 0.00 0.00 0.00 61.98 63.47 1vyn s VAL 59 Cb -0.11 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1vyn s VAL 59 CO 0.25 -0.34 1.03 -1.13 0.00 0.00 0.00 175.10 174.91 1vyn h ASN 60 N 10.33 0.00 0.00 3.32 -1.24 -1.02 0.19 115.58 127.17 1vyn h ASN 60 Ca -0.32 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1vyn h ASN 60 Cb 1.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.19 1vyn h ASN 60 CO 1.01 0.16 0.00 0.61 -1.29 0.00 0.00 177.43 177.92 1vyn n GLY 61 N 1.23 -0.39 3.23 1.57 0.00 -0.77 -4.41 105.19 105.65 1vyn n GLY 61 Ca -0.02 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 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 2.41 -0.11 0.99 1.43 -1.26 -0.91 118.68 121.23 1vyn s LEU 62 Ca 0.00 -0.82 -0.19 0.00 -1.03 0.00 0.00 54.13 52.09 1vyn s LEU 62 Cb 0.00 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.67 1vyn s LEU 62 CO 0.00 -0.16 0.51 -0.55 0.23 0.00 0.00 176.35 176.37 1vyn s SER 63 N -2.48 6.73 0.31 2.29 0.15 0.11 -4.80 113.70 116.02 1vyn s SER 63 Ca 0.09 0.87 0.13 0.00 0.70 0.00 0.00 55.95 57.74 1vyn s SER 63 Cb -0.04 -2.30 0.73 0.00 -1.71 0.00 0.00 66.02 62.69 1vyn s SER 63 CO 0.03 -0.02 1.31 0.54 1.20 0.00 0.00 173.24 176.31 1vyn n ARG 64 N 3.69 0.09 -4.81 5.44 1.74 -1.26 -3.98 116.66 117.57 1vyn n ARG 64 Ca -0.06 0.57 -0.33 0.00 -0.77 0.00 0.00 57.85 57.25 1vyn n ARG 64 Cb 0.52 -2.06 -0.14 0.00 -1.02 0.00 0.00 32.46 29.76 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 -3.32 2.66 0.60 7.54 0.00 -1.26 -5.04 121.76 122.94 1vyn s ALA 65 Ca -0.01 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 1vyn s ALA 65 Cb 0.04 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1vyn s ALA 65 CO 0.12 0.37 1.24 -2.14 0.00 0.00 0.00 175.76 175.35 1vyn s PRO 66 N -0.09 2.90 0.50 0.00 0.02 -1.26 -2.93 135.00 134.14 1vyn s PRO 66 Ca -0.02 1.90 0.32 0.00 0.02 0.00 0.00 61.00 63.22 1vyn s PRO 66 Cb -0.14 -1.94 1.72 0.00 0.02 0.00 0.00 34.50 34.16 1vyn s PRO 66 CO 0.04 -1.28 1.96 0.00 -0.33 0.00 0.00 177.00 177.38 1vyn h ALA 67 N 0.87 1.05 0.00 -1.55 0.00 -0.45 0.29 119.26 119.46 1vyn h ALA 67 Ca -0.51 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1vyn h ALA 67 Cb 1.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1vyn h ALA 67 CO 0.55 -0.05 -0.62 1.03 0.00 0.00 0.00 179.25 180.16 1vyn h SER 68 N 0.00 0.00 0.00 0.00 0.87 -1.74 -1.14 113.55 111.54 1vyn h SER 68 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1vyn h SER 68 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1vyn h SER 68 CO 0.00 0.62 0.00 -1.54 -0.53 0.00 0.00 176.83 175.38 1vyn n SER 69 N -3.61 0.13 -4.71 6.23 3.41 -0.08 -4.79 113.62 110.19 1vyn n SER 69 Ca -0.00 -0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 57.66 1vyn n SER 69 Cb 0.66 0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 65.34 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 -0.77 4.56 0.05 4.33 2.56 0.82 -4.97 118.70 125.28 1vyn s GLU 70 Ca 0.00 1.35 0.01 0.00 0.00 0.00 0.00 54.97 56.33 1vyn s GLU 70 Cb 0.00 -3.45 -0.04 0.00 2.00 0.00 0.00 34.13 32.64 1vyn s GLU 70 CO 0.00 0.01 0.13 0.95 -0.56 0.00 0.00 175.26 175.78 1vyn s THR 71 N 0.83 4.90 0.02 -1.70 -4.23 -1.25 -3.46 115.64 110.74 1vyn s THR 71 Ca 0.49 -0.53 -0.13 0.00 -1.18 0.00 0.00 61.69 60.33 1vyn s THR 71 Cb -0.21 -3.34 0.02 0.00 1.34 0.00 0.00 72.50 70.31 1vyn s THR 71 CO 0.27 0.19 0.29 0.72 -0.54 0.00 0.00 174.62 175.55 1vyn s PHE 72 N -1.38 -0.11 -0.31 3.99 -0.71 -0.22 -4.91 117.98 114.35 1vyn s PHE 72 Ca 0.29 0.03 -0.21 0.00 -1.04 0.00 0.00 56.93 56.00 1vyn s PHE 72 Cb -0.12 0.08 -0.01 0.00 -1.21 0.00 0.00 43.02 41.76 1vyn s PHE 72 CO 0.22 -0.46 0.67 -2.00 -1.34 0.00 0.00 175.22 172.31 1vyn s GLU 73 N -2.16 3.90 -0.04 1.99 2.12 -1.26 -1.27 118.70 121.99 1vyn s GLU 73 Ca -0.08 0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.61 1vyn s GLU 73 Cb -0.02 -3.73 0.03 0.00 0.26 0.00 0.00 34.13 30.66 1vyn s GLU 73 CO -0.01 -0.61 -0.01 -1.58 -0.54 0.00 0.00 175.26 172.51 1vyn s HIS 74 N 2.71 0.44 -1.60 5.30 2.46 0.19 -4.80 115.29 120.00 1vyn s HIS 74 Ca 0.27 -0.05 -0.04 0.00 0.47 0.00 0.00 55.06 55.71 1vyn s HIS 74 Cb -0.15 -0.52 0.01 0.00 -0.13 0.00 0.00 32.58 31.79 1vyn s HIS 74 CO 0.12 -0.17 0.52 -3.47 -2.47 0.00 0.00 174.74 169.27 1vyn n ASP 75 N 4.31 -6.12 0.00 9.88 2.03 -1.26 -1.47 116.55 123.92 1vyn n ASP 75 Ca -0.22 -0.25 0.00 0.00 0.52 0.00 0.00 54.79 54.84 1vyn n ASP 75 Cb 0.50 -4.97 0.00 0.00 -0.72 0.00 0.00 41.12 35.93 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 -1.45 0.67 3.38 0.27 0.00 -1.26 -5.00 105.19 101.79 1vyn n GLY 76 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.22 2.15 -0.41 1.61 -0.14 -0.54 -5.08 119.74 117.10 1vyn s LYS 77 Ca 0.00 -0.91 -0.17 0.00 -1.36 0.00 0.00 55.97 53.53 1vyn s LYS 77 Cb 0.00 -2.13 0.02 0.00 -1.68 0.00 0.00 37.83 34.04 1vyn s LYS 77 CO 0.00 0.56 0.43 0.15 -0.76 0.00 0.00 175.35 175.73 1vyn s LYS 78 N -0.86 3.13 0.37 1.68 1.02 -1.26 0.56 119.74 124.39 1vyn s LYS 78 Ca 0.11 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.38 1vyn s LYS 78 Cb -0.10 -3.95 -0.00 0.00 -0.52 0.00 0.00 37.83 33.25 1vyn s LYS 78 CO 0.01 -0.82 0.05 1.33 -0.92 0.00 0.00 175.35 174.99 1vyn n VAL 79 N 5.41 0.00 -4.53 3.17 0.24 -0.40 -4.78 118.33 117.44 1vyn n VAL 79 Ca -0.07 -1.90 -0.33 0.00 -2.04 0.00 0.00 64.34 60.00 1vyn n VAL 79 Cb 0.47 0.50 -0.11 0.00 -1.47 0.00 0.00 33.84 33.24 1vyn n VAL 79 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1vyn s THR 80 N -2.58 3.70 0.44 3.34 -4.23 -1.26 -1.05 115.64 114.00 1vyn s THR 80 Ca 0.07 -0.63 0.15 0.00 -1.18 0.00 0.00 61.69 60.09 1vyn s THR 80 Cb 0.00 -2.57 0.18 0.00 1.34 0.00 0.00 72.50 71.46 1vyn s THR 80 CO 0.05 0.49 1.99 0.40 -0.54 0.00 0.00 174.62 177.00 1vyn h ILE 81 N 3.96 1.11 0.11 2.99 2.04 -1.41 0.18 117.51 126.49 1vyn h ILE 81 Ca -0.49 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 1vyn h ILE 81 Cb 1.17 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1vyn h ILE 81 CO 0.53 0.19 -0.05 0.00 0.00 0.00 0.00 178.15 178.82 1vyn h ALA 82 N 1.81 -0.14 0.00 1.87 0.00 -1.54 -0.07 119.26 121.18 1vyn h ALA 82 Ca -0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1vyn h ALA 82 Cb 0.34 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1vyn h ALA 82 CO 0.02 -0.50 -0.69 0.77 0.00 0.00 0.00 179.25 178.86 1vyn h SER 83 N -0.31 0.00 -0.12 0.00 0.02 -1.78 -1.87 113.55 109.50 1vyn h SER 83 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1vyn h SER 83 Cb 0.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1vyn h SER 83 CO 0.02 0.69 0.06 0.22 -1.14 0.00 0.00 176.83 176.68 1vyn h TYR 84 N 0.00 0.16 -0.04 3.45 3.20 -0.77 -0.22 116.97 122.75 1vyn h TYR 84 Ca -0.01 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.68 1vyn h TYR 84 Cb 1.24 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 1vyn h TYR 84 CO 0.00 0.20 -0.75 0.74 -1.64 0.00 0.00 178.16 176.70 1vyn h PHE 85 N 0.08 0.36 -0.50 -3.82 0.04 -1.02 -2.12 116.94 109.96 1vyn h PHE 85 Ca 0.04 -0.17 0.02 0.00 2.80 0.00 0.00 57.97 60.66 1vyn h PHE 85 Cb 0.09 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 1vyn h PHE 85 CO -0.04 0.92 0.30 1.25 -0.60 0.00 0.00 178.31 180.14 1vyn h HIS 86 N 0.17 0.56 -0.03 -0.55 2.76 -1.10 0.28 115.15 117.24 1vyn h HIS 86 Ca -0.03 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.02 1vyn h HIS 86 Cb 1.33 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 30.09 1vyn h HIS 86 CO 0.03 0.33 -0.61 0.77 -1.30 0.00 0.00 177.93 177.14 1vyn h SER 87 N 0.60 0.14 -0.05 3.26 0.02 -1.05 -2.83 113.55 113.64 1vyn h SER 87 Ca 0.20 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1vyn h SER 87 Cb 0.01 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1vyn h SER 87 CO -0.08 0.72 0.00 0.54 -1.14 0.00 0.00 176.83 176.86 1vyn n ARG 88 N -3.84 1.20 -1.85 3.45 3.00 -0.61 -4.84 116.66 113.16 1vyn n ARG 88 Ca -0.02 -0.20 -0.05 0.00 -0.01 0.00 0.00 57.85 57.57 1vyn n ARG 88 Cb 0.62 -1.31 -0.01 0.00 0.00 0.00 0.00 32.46 31.76 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 -0.14 -2.57 -3.59 0.55 4.13 -0.63 -4.66 115.26 108.35 1vyn n ASN 89 Ca 0.02 0.03 -0.29 0.00 1.68 0.00 0.00 54.58 56.01 1vyn n ASN 89 Cb 0.19 -1.58 -0.14 0.00 -1.54 0.00 0.00 39.78 36.71 1vyn n ASN 89 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1vyn s TYR 90 N -2.24 1.03 -0.45 3.10 5.04 0.87 -4.89 117.35 119.81 1vyn s TYR 90 Ca 0.00 -1.56 -0.28 0.00 -2.44 0.00 0.00 57.07 52.79 1vyn s TYR 90 Cb 0.00 -1.25 -0.00 0.00 0.35 0.00 0.00 41.96 41.05 1vyn s TYR 90 CO 0.00 -0.83 1.61 -1.25 -1.34 0.00 0.00 175.55 173.73 1vyn s PRO 91 N 1.39 3.28 0.28 4.97 0.04 -1.26 -3.32 135.00 140.37 1vyn s PRO 91 Ca 0.13 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 61.80 1vyn s PRO 91 Cb -0.20 -4.16 -0.13 0.00 0.04 0.00 0.00 34.50 30.05 1vyn s PRO 91 CO -0.16 -1.94 1.44 1.28 0.04 0.00 0.00 177.00 177.66 1vyn n LEU 92 N 10.10 3.60 0.20 -3.56 4.77 -1.26 -4.88 117.00 125.97 1vyn n LEU 92 Ca 0.18 1.16 0.06 0.00 -0.03 0.00 0.00 56.01 57.38 1vyn n LEU 92 Cb 0.49 -1.49 0.40 0.00 -2.33 0.00 0.00 43.42 40.48 1vyn n LEU 92 CO 0.70 -0.28 0.73 0.11 -1.33 0.00 0.00 177.39 177.32 1vyn h LYS 93 N 4.02 0.00 -2.20 3.23 1.57 -2.02 -3.32 116.57 117.84 1vyn h LYS 93 Ca -0.46 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.73 1vyn h LYS 93 Cb 1.26 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.16 1vyn h LYS 93 CO 0.74 0.34 -0.80 1.19 -0.57 0.00 0.00 179.45 180.35 1vyn n PHE 94 N -3.71 1.86 0.21 -1.35 3.01 -1.26 -4.24 117.46 111.97 1vyn n PHE 94 Ca -0.01 -3.90 0.18 0.00 1.01 0.00 0.00 57.45 54.73 1vyn n PHE 94 Cb 0.44 -0.44 0.76 0.00 -0.01 0.00 0.00 39.48 40.24 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 4.30 0.00 -0.51 -1.08 0.11 -1.97 -0.91 132.00 131.93 1vyn h PRO 95 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1vyn h PRO 95 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1vyn h PRO 95 CO 0.66 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.49 1vyn n GLN 96 N -3.29 4.26 -2.35 1.05 6.02 -1.26 -2.53 117.38 119.27 1vyn n GLN 96 Ca 0.03 -3.04 -0.41 0.00 -0.01 0.00 0.00 57.00 53.57 1vyn n GLN 96 Cb 0.52 -2.10 -0.03 0.00 1.02 0.00 0.00 30.24 29.64 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 -2.62 4.44 0.34 1.08 1.43 -0.35 -4.64 118.68 118.36 1vyn s LEU 97 Ca 0.51 2.24 -0.29 0.00 -1.03 0.00 0.00 54.13 55.56 1vyn s LEU 97 Cb 0.38 -3.60 -0.11 0.00 0.03 0.00 0.00 46.19 42.89 1vyn s LEU 97 CO 0.16 -0.41 1.53 -1.00 0.23 0.00 0.00 176.35 176.86 1vyn s HIS 98 N 0.08 2.66 0.05 0.29 3.76 -1.26 0.15 115.29 121.02 1vyn s HIS 98 Ca 0.54 1.01 -0.31 0.00 -0.15 0.00 0.00 55.06 56.16 1vyn s HIS 98 Cb -0.33 -4.04 -0.07 0.00 1.11 0.00 0.00 32.58 29.25 1vyn s HIS 98 CO 0.36 -3.22 1.53 0.00 -0.85 0.00 0.00 174.74 172.56 1vyn s LEU 100 N 2.41 4.38 -0.45 0.00 2.96 0.60 0.10 118.68 128.68 1vyn s LEU 100 Ca 0.69 2.40 -0.10 0.00 -0.22 0.00 0.00 54.13 56.90 1vyn s LEU 100 Cb -0.36 -3.59 0.10 0.00 0.50 0.00 0.00 46.19 42.83 1vyn s LEU 100 CO 0.30 -0.66 0.31 0.21 -1.32 0.00 0.00 176.35 175.19 1vyn s ASN 101 N 0.96 5.72 0.32 3.68 3.84 -0.09 -1.41 114.94 127.95 1vyn s ASN 101 Ca 0.64 -1.66 0.09 0.00 0.21 0.00 0.00 52.86 52.14 1vyn s ASN 101 Cb -0.38 -2.02 -0.05 0.00 -0.55 0.00 0.00 41.25 38.25 1vyn s ASN 101 CO 0.32 -0.62 -0.02 0.68 -2.79 0.00 0.00 177.10 174.67 1vyn s VAL 102 N 1.42 2.74 0.00 -5.21 -7.23 0.19 -0.46 120.40 111.85 1vyn s VAL 102 Ca 0.04 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1vyn s VAL 102 Cb -0.25 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 33.96 1vyn s VAL 102 CO 0.01 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 1vyn n GLY 103 N -0.90 0.75 3.53 2.32 0.00 0.82 -0.23 105.19 111.47 1vyn n GLY 103 Ca -0.05 -1.13 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 1vyn n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vyn s SER 104 N -4.00 0.67 0.39 1.61 1.04 -0.54 -4.71 113.70 108.16 1vyn s SER 104 Ca 0.00 -1.37 0.06 0.00 0.48 0.00 0.00 55.95 55.12 1vyn s SER 104 Cb 0.00 0.66 0.78 0.00 0.10 0.00 0.00 66.02 67.56 1vyn s SER 104 CO 0.00 -1.30 2.00 0.28 0.98 0.00 0.00 173.24 175.20 1vyn h SER 105 N 2.13 0.47 0.77 7.02 0.02 -2.00 -2.86 113.55 119.09 1vyn h SER 105 Ca -0.29 -0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 60.45 1vyn h SER 105 Cb 1.24 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 1vyn h SER 105 CO 0.39 0.41 -0.85 0.16 -1.14 0.00 0.00 176.83 175.80 1vyn h ILE 106 N 0.53 1.57 -3.06 3.27 3.07 -2.00 -3.40 117.51 117.49 1vyn h ILE 106 Ca 0.13 -2.80 -0.51 0.00 1.55 0.00 0.00 64.86 63.24 1vyn h ILE 106 Cb 0.07 2.53 -0.40 0.00 -0.27 0.00 0.00 36.82 38.74 1vyn h ILE 106 CO -0.02 0.80 -0.76 -0.75 -1.05 0.00 0.00 178.15 176.37 1vyn s LYS 107 N -3.13 0.33 -0.48 0.16 2.36 -1.09 -5.10 119.74 112.79 1vyn s LYS 107 Ca -0.01 -0.39 -0.16 0.00 -2.55 0.00 0.00 55.97 52.86 1vyn s LYS 107 Cb 0.11 -1.76 0.08 0.00 -1.05 0.00 0.00 37.83 35.20 1vyn s LYS 107 CO 0.80 -0.78 0.42 -1.12 1.55 0.00 0.00 175.35 176.22 1vyn s SER 108 N 2.00 6.15 -0.01 1.43 0.01 -1.18 -1.46 113.70 120.64 1vyn s SER 108 Ca 0.04 -1.33 -0.27 0.00 1.31 0.00 0.00 55.95 55.70 1vyn s SER 108 Cb -0.16 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 1vyn s SER 108 CO -0.17 -0.67 0.84 -0.63 0.41 0.00 0.00 173.24 173.01 1vyn s ILE 109 N 1.70 4.89 -0.24 1.44 1.01 0.67 -4.90 121.20 125.77 1vyn s ILE 109 Ca 0.05 1.75 -0.02 0.00 0.00 0.00 0.00 60.65 62.43 1vyn s ILE 109 Cb -0.24 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.07 1vyn s ILE 109 CO 0.07 0.24 -0.06 -0.76 0.00 0.00 0.00 174.94 174.43 1vyn s LEU 110 N 0.67 3.10 -0.03 2.97 1.43 -1.25 -0.64 118.68 124.92 1vyn s LEU 110 Ca 0.44 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 1vyn s LEU 110 Cb -0.20 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.37 1vyn s LEU 110 CO 0.24 -0.10 0.34 -1.48 0.23 0.00 0.00 176.35 175.57 1vyn s LEU 111 N 1.37 0.74 0.33 1.79 0.05 -0.50 -4.90 118.68 117.56 1vyn s LEU 111 Ca 0.02 0.21 -0.28 0.00 0.05 0.00 0.00 54.13 54.13 1vyn s LEU 111 Cb -0.16 1.32 -0.10 0.00 -2.05 0.00 0.00 46.19 45.21 1vyn s LEU 111 CO -0.04 -0.41 1.22 -2.16 -0.55 0.00 0.00 176.35 174.41 1vyn s PRO 112 N -1.09 4.39 0.04 1.48 0.04 -1.26 -0.29 135.00 138.31 1vyn s PRO 112 Ca -0.11 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.07 1vyn s PRO 112 Cb -0.05 -3.03 0.54 0.00 0.04 0.00 0.00 34.50 32.00 1vyn s PRO 112 CO 0.04 -0.09 1.39 1.51 0.04 0.00 0.00 177.00 179.89 1vyn n ILE 113 N 0.78 1.22 -0.36 0.56 0.13 -1.26 -2.72 119.36 117.71 1vyn n ILE 113 Ca 0.00 0.33 0.09 0.00 -1.10 0.00 0.00 62.75 62.07 1vyn n ILE 113 Cb 0.44 -1.17 0.27 0.00 -0.84 0.00 0.00 39.64 38.34 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 0.89 -0.64 9.51 4.57 -1.96 -1.84 114.58 125.11 1vyn h GLU 114 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1vyn h GLU 114 Cb 0.19 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1vyn h GLU 114 CO 0.00 0.59 0.00 1.28 -1.18 0.00 0.00 179.01 179.70 1vyn n LEU 115 N -4.67 4.89 -4.45 1.64 4.77 -1.10 -4.69 117.00 113.39 1vyn n LEU 115 Ca 0.21 -2.48 -0.32 0.00 -0.03 0.00 0.00 56.01 53.39 1vyn n LEU 115 Cb 0.43 -0.62 -0.13 0.00 -2.33 0.00 0.00 43.42 40.77 1vyn n LEU 115 CO 0.25 0.66 -0.48 0.00 -1.33 0.00 0.00 177.39 176.49 1vyn s SER 117 N -0.98 3.20 -0.14 0.00 0.01 0.91 -1.30 113.70 115.40 1vyn s SER 117 Ca 0.13 -0.62 -0.09 0.00 1.31 0.00 0.00 55.95 56.68 1vyn s SER 117 Cb -0.10 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 1vyn s SER 117 CO 0.02 0.24 0.17 -0.51 0.41 0.00 0.00 173.24 173.58 1vyn s ILE 118 N -0.85 5.43 -0.17 1.44 2.07 0.16 0.00 121.20 129.28 1vyn s ILE 118 Ca 0.12 0.28 -0.29 0.00 -1.41 0.00 0.00 60.65 59.35 1vyn s ILE 118 Cb -0.10 -3.46 -0.03 0.00 0.13 0.00 0.00 42.46 39.00 1vyn s ILE 118 CO 0.03 0.55 1.54 -1.61 -1.91 0.00 0.00 174.94 173.54 1vyn s GLU 119 N -0.51 3.99 0.00 3.50 0.41 -1.26 -0.13 118.70 124.71 1vyn s GLU 119 Ca 0.14 1.79 0.06 0.00 -0.41 0.00 0.00 54.97 56.54 1vyn s GLU 119 Cb -0.12 -3.96 0.34 0.00 -1.78 0.00 0.00 34.13 28.61 1vyn s GLU 119 CO 0.03 -1.05 0.81 -0.85 -0.49 0.00 0.00 175.26 173.71