#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 4.26 -0.16 0.00 -2.45 -0.49 -4.70 119.30 115.76 1vyn s MET 5 Ca 0.00 1.79 -0.38 0.00 -1.25 0.00 0.00 55.69 55.86 1vyn s MET 5 Cb 0.00 -3.72 -0.15 0.00 1.25 0.00 0.00 34.83 32.21 1vyn s MET 5 CO 0.00 -0.65 1.73 -2.30 1.05 0.00 0.00 175.02 174.85 1vyn n PRO 6 N 6.19 1.49 0.03 4.11 -0.02 -1.26 0.43 135.00 145.97 1vyn n PRO 6 Ca 0.14 0.54 0.02 0.00 -2.02 0.00 0.00 63.50 62.18 1vyn n PRO 6 Cb 0.45 -2.27 0.36 0.00 -0.02 0.00 0.00 33.50 32.01 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 7.41 0.47 -1.00 -0.52 2.86 -1.70 0.31 114.93 122.75 1vyn h MET 7 Ca -0.47 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.13 1vyn h MET 7 Cb 1.30 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.83 1vyn h MET 7 CO 0.93 0.45 0.66 0.82 1.06 0.00 0.00 176.91 180.83 1vyn h ILE 8 N 0.46 1.18 -0.40 -1.22 1.08 -1.79 0.21 117.51 117.03 1vyn h ILE 8 Ca 0.11 -0.44 -0.09 0.00 -0.39 0.00 0.00 64.86 64.05 1vyn h ILE 8 Cb 0.21 -0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 33.75 1vyn h ILE 8 CO -0.00 0.23 -0.12 -0.08 -0.69 0.00 0.00 178.15 177.49 1vyn h GLU 9 N 1.27 0.78 -0.70 2.37 4.81 -1.34 0.19 114.58 121.97 1vyn h GLU 9 Ca 0.39 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1vyn h GLU 9 Cb -0.01 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1vyn h GLU 9 CO -0.12 0.93 0.33 -0.92 -0.73 0.00 0.00 179.01 178.50 1vyn h TYR 10 N 0.59 0.99 -0.07 0.92 3.20 -0.88 -1.34 116.97 120.39 1vyn h TYR 10 Ca 0.10 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1vyn h TYR 10 Cb 0.65 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 1vyn h TYR 10 CO 0.05 0.72 -0.12 -0.07 -1.64 0.00 0.00 178.16 177.11 1vyn h LEU 11 N 0.99 0.22 0.35 2.82 3.38 -0.66 -2.35 115.31 120.05 1vyn h LEU 11 Ca 0.24 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1vyn h LEU 11 Cb 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1vyn h LEU 11 CO -0.03 0.73 -0.22 -0.08 0.09 0.00 0.00 178.44 178.92 1vyn h GLU 12 N -0.28 -0.53 0.15 1.13 4.81 -0.43 0.52 114.58 119.95 1vyn h GLU 12 Ca 0.00 0.04 -0.29 0.00 -0.13 0.00 0.00 59.36 58.98 1vyn h GLU 12 Cb 0.68 0.12 0.02 0.00 0.63 0.00 0.00 28.75 30.20 1vyn h GLU 12 CO 0.03 -0.36 -1.27 0.00 -0.73 0.00 0.00 179.01 176.68 1vyn h ARG 13 N -0.55 0.40 0.00 1.92 3.08 -1.37 -2.41 114.38 115.45 1vyn h ARG 13 Ca -0.03 -0.63 -0.36 0.00 0.07 0.00 0.00 59.98 59.03 1vyn h ARG 13 Cb 0.46 0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 1vyn h ARG 13 CO 0.03 1.28 -2.21 1.19 -1.07 0.00 0.00 179.97 179.19 1vyn n PHE 14 N -3.64 0.00 0.12 3.04 3.72 -0.90 -4.19 117.46 115.62 1vyn n PHE 14 Ca -0.11 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.07 1vyn n PHE 14 Cb 1.02 -0.78 -0.15 0.00 -0.94 0.00 0.00 39.48 38.63 1vyn n PHE 14 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1vyn h SER 15 N -0.70 0.70 0.09 4.37 0.02 -1.09 -3.37 113.55 113.56 1vyn h SER 15 Ca -0.54 -0.82 -0.31 0.00 -0.84 0.00 0.00 61.79 59.28 1vyn h SER 15 Cb 1.50 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 1vyn h SER 15 CO -0.31 1.65 -1.65 -0.07 -1.14 0.00 0.00 176.83 175.31 1vyn h LEU 16 N 0.12 0.29 1.35 5.07 3.38 -0.12 -3.48 115.31 121.91 1vyn h LEU 16 Ca -0.26 -0.80 -0.36 0.00 0.09 0.00 0.00 57.88 56.55 1vyn h LEU 16 Cb 2.12 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 42.81 1vyn h LEU 16 CO 0.24 1.70 -0.52 0.29 0.09 0.00 0.00 178.44 180.24 1vyn n LYS 17 N -3.86 -3.51 -3.89 1.13 4.76 -0.92 -4.98 118.16 106.89 1vyn n LYS 17 Ca -0.30 0.83 -0.08 0.00 -2.87 0.00 0.00 58.31 55.89 1vyn n LYS 17 Cb 0.91 -5.44 -0.03 0.00 -1.84 0.00 0.00 35.03 28.63 1vyn n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vyn s ALA 18 N -3.05 -0.89 0.12 7.82 0.00 -1.15 -5.07 121.76 119.53 1vyn s ALA 18 Ca 0.19 -0.47 -0.18 0.00 0.00 0.00 0.00 51.96 51.49 1vyn s ALA 18 Cb -0.08 0.92 -0.07 0.00 0.00 0.00 0.00 23.12 23.89 1vyn s ALA 18 CO 0.23 -0.96 0.60 0.21 0.00 0.00 0.00 175.76 175.85 1vyn s LYS 19 N -3.95 4.18 0.19 0.00 2.20 -1.26 -4.50 119.74 116.61 1vyn s LYS 19 Ca 0.14 0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 56.18 1vyn s LYS 19 Cb -0.04 -3.11 -0.08 0.00 -1.51 0.00 0.00 37.83 33.09 1vyn s LYS 19 CO 0.07 0.56 1.07 0.42 -0.36 0.00 0.00 175.35 177.10 1vyn s ILE 20 N -1.26 3.90 0.27 5.43 -1.09 -1.26 -4.86 121.20 122.33 1vyn s ILE 20 Ca 0.34 1.70 -0.18 0.00 -2.23 0.00 0.00 60.65 60.28 1vyn s ILE 20 Cb -0.18 -4.09 0.07 0.00 -1.58 0.00 0.00 42.46 36.68 1vyn s ILE 20 CO 0.20 0.32 0.88 -3.20 -1.23 0.00 0.00 174.94 171.91 1vyn n ASN 21 N 2.12 -1.93 0.24 3.58 2.85 -1.26 -5.01 115.26 115.86 1vyn n ASN 21 Ca 0.01 -2.18 0.15 0.00 -0.11 0.00 0.00 54.58 52.45 1vyn n ASN 21 Cb 0.46 3.17 0.48 0.00 1.24 0.00 0.00 39.78 45.13 1vyn n ASN 21 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 1vyn h ASN 22 N 1.90 0.00 1.33 1.20 -0.00 -1.96 -3.21 115.58 114.83 1vyn h ASN 22 Ca -0.29 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 55.90 1vyn h ASN 22 Cb 1.17 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.47 1vyn h ASN 22 CO 0.38 0.00 -0.69 0.00 -0.00 0.00 0.00 177.43 177.12 1vyn h THR 23 N 0.00 0.75 -4.16 -3.57 1.03 -1.94 -3.47 112.91 101.55 1vyn h THR 23 Ca 0.00 -2.12 -0.50 0.00 -0.01 0.00 0.00 66.41 63.78 1vyn h THR 23 Cb 0.68 2.31 0.07 0.00 -1.07 0.00 0.00 68.15 70.15 1vyn h THR 23 CO 0.00 0.43 0.39 0.28 -0.01 0.00 0.00 175.52 176.61 1vyn s THR 24 N -2.97 3.53 -1.13 0.00 -1.32 -1.22 -4.86 115.64 107.67 1vyn s THR 24 Ca 0.03 0.78 -0.07 0.00 -1.21 0.00 0.00 61.69 61.22 1vyn s THR 24 Cb 0.08 -3.29 -0.08 0.00 -1.51 0.00 0.00 72.50 67.69 1vyn s THR 24 CO 0.76 -0.37 2.56 -0.46 -2.21 0.00 0.00 174.62 174.89 1vyn n ASN 25 N -1.89 6.49 0.00 8.08 0.23 -1.26 -4.56 115.26 122.35 1vyn n ASN 25 Ca 0.10 -2.42 0.11 0.00 -0.53 0.00 0.00 54.58 51.84 1vyn n ASN 25 Cb 0.52 -1.29 0.49 0.00 -2.08 0.00 0.00 39.78 37.42 1vyn n ASN 25 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1vyn n LEU 26 N 3.78 0.00 0.23 -4.53 4.77 -1.26 -2.05 117.00 117.94 1vyn n LEU 26 Ca 0.58 0.48 -0.15 0.00 -0.03 0.00 0.00 56.01 56.89 1vyn n LEU 26 Cb 0.23 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.75 1vyn n LEU 26 CO 0.71 -0.11 0.67 0.44 -1.33 0.00 0.00 177.39 177.78 1vyn h ASP 27 N 0.00 -0.47 1.04 -1.43 5.19 -1.93 0.93 116.42 119.74 1vyn h ASP 27 Ca 0.00 -0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.26 1vyn h ASP 27 Cb 0.38 0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 1vyn h ASP 27 CO 0.00 -0.26 -0.54 1.88 -3.12 0.00 0.00 179.24 177.20 1vyn h TYR 28 N -0.65 0.00 -0.19 4.55 0.05 -1.92 -2.55 116.97 116.25 1vyn h TYR 28 Ca -0.06 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.65 1vyn h TYR 28 Cb 0.48 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.22 1vyn h TYR 28 CO -0.03 0.54 -0.18 0.77 -1.05 0.00 0.00 178.16 178.22 1vyn h SER 29 N 0.00 0.49 0.10 3.88 0.02 -1.37 -2.35 113.55 114.32 1vyn h SER 29 Ca -0.01 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 1vyn h SER 29 Cb 1.21 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 1vyn h SER 29 CO 0.07 0.86 -0.07 0.03 -1.14 0.00 0.00 176.83 176.58 1vyn h ARG 30 N 0.13 0.00 -0.22 3.45 -0.00 -0.71 0.85 114.38 117.88 1vyn h ARG 30 Ca 0.03 0.00 -0.16 0.00 -0.50 0.00 0.00 59.98 59.36 1vyn h ARG 30 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.69 1vyn h ARG 30 CO 0.04 0.07 -0.47 -0.09 0.00 0.00 0.00 179.97 179.52 1vyn h ARG 31 N 0.00 0.71 0.00 0.04 2.43 -1.17 -3.03 114.38 113.37 1vyn h ARG 31 Ca -0.00 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1vyn h ARG 31 Cb 0.14 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1vyn h ARG 31 CO 0.01 1.09 -0.38 1.97 -1.51 0.00 0.00 179.97 181.15 1vyn n PHE 32 N -4.15 0.59 1.06 2.20 1.16 -0.91 -3.36 117.46 114.04 1vyn n PHE 32 Ca -0.06 0.17 0.13 0.00 -1.87 0.00 0.00 57.45 55.83 1vyn n PHE 32 Cb 0.58 -0.70 0.48 0.00 -1.61 0.00 0.00 39.48 38.23 1vyn n PHE 32 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 1vyn n LEU 33 N -2.07 0.26 0.20 5.98 7.94 0.25 -4.14 117.00 125.41 1vyn n LEU 33 Ca 0.04 0.24 -0.15 0.00 -1.11 0.00 0.00 56.01 55.04 1vyn n LEU 33 Cb 0.42 -0.36 -0.07 0.00 0.53 0.00 0.00 43.42 43.94 1vyn n LEU 33 CO 0.34 0.06 0.74 -0.08 -1.11 0.00 0.00 177.39 177.34 1vyn h GLU 34 N 0.08 -0.47 -0.19 1.96 4.81 -1.54 -0.97 114.58 118.27 1vyn h GLU 34 Ca 0.00 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1vyn h GLU 34 Cb 0.48 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1vyn h GLU 34 CO 0.00 -0.31 -0.07 -1.35 -0.73 0.00 0.00 179.01 176.55 1vyn h PRO 35 N -0.49 0.29 -0.17 0.92 0.11 -1.83 -1.38 132.00 129.44 1vyn h PRO 35 Ca -0.03 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.89 1vyn h PRO 35 Cb 0.40 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1vyn h PRO 35 CO 0.03 0.37 -0.45 0.35 -0.21 0.00 0.00 178.00 178.09 1vyn h PHE 36 N 0.28 0.52 0.00 0.65 3.57 -1.68 -3.08 116.94 117.18 1vyn h PHE 36 Ca 0.06 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1vyn h PHE 36 Cb 0.31 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1vyn h PHE 36 CO 0.01 0.81 -0.76 -0.07 -2.23 0.00 0.00 178.31 176.07 1vyn h LEU 37 N 0.35 0.00 -8.79 0.59 4.07 -0.75 -3.45 115.31 107.33 1vyn h LEU 37 Ca 0.02 -0.22 -0.56 0.00 0.08 0.00 0.00 57.88 57.21 1vyn h LEU 37 Cb 0.93 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.65 1vyn h LEU 37 CO 0.08 0.11 1.31 -0.60 -1.08 0.00 0.00 178.44 178.26 1vyn s ARG 38 N -3.20 3.15 0.00 1.13 3.52 -0.56 -2.57 118.95 120.42 1vyn s ARG 38 Ca 0.05 1.30 0.00 0.00 -0.13 0.00 0.00 55.73 56.95 1vyn s ARG 38 Cb 0.13 -4.25 0.00 0.00 -1.56 0.00 0.00 34.95 29.27 1vyn s ARG 38 CO 0.75 -2.08 0.00 0.41 -0.81 0.00 0.00 175.30 173.56 1vyn n GLY 39 N 5.51 1.50 3.64 8.12 0.00 0.10 -4.94 105.19 119.11 1vyn n GLY 39 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 1.30 -0.05 -0.61 -4.36 -1.06 -4.95 121.20 109.47 1vyn s ILE 40 Ca 0.00 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.43 1vyn s ILE 40 Cb 0.00 -2.51 -0.00 0.00 1.25 0.00 0.00 42.46 41.20 1vyn s ILE 40 CO 0.00 0.00 -0.17 0.20 0.24 0.00 0.00 174.94 175.21 1vyn s ASN 41 N -3.73 2.20 0.04 4.36 0.01 -1.26 0.22 114.94 116.78 1vyn s ASN 41 Ca 0.21 -0.36 0.05 0.00 -0.71 0.00 0.00 52.86 52.05 1vyn s ASN 41 Cb 0.05 -0.68 -0.02 0.00 0.41 0.00 0.00 41.25 41.01 1vyn s ASN 41 CO 0.11 0.14 -0.15 0.68 -1.51 0.00 0.00 177.10 176.37 1vyn s VAL 42 N 0.12 1.17 -0.53 1.60 -7.23 -0.40 -3.50 120.40 111.62 1vyn s VAL 42 Ca -0.06 -0.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.90 1vyn s VAL 42 Cb -0.12 -1.05 0.05 0.00 0.56 0.00 0.00 36.38 35.81 1vyn s VAL 42 CO 0.03 0.05 0.83 -0.69 -0.31 0.00 0.00 175.10 175.01 1vyn s VAL 43 N -0.80 4.56 -0.34 1.32 1.01 0.14 -0.80 120.40 125.48 1vyn s VAL 43 Ca 0.03 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 1vyn s VAL 43 Cb -0.08 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.85 1vyn s VAL 43 CO 0.01 -1.00 0.69 -0.47 0.00 0.00 0.00 175.10 174.33 1vyn s TYR 44 N 3.47 3.16 -0.48 5.22 5.04 0.48 -0.92 117.35 133.32 1vyn s TYR 44 Ca 0.25 0.50 -0.18 0.00 -2.44 0.00 0.00 57.07 55.20 1vyn s TYR 44 Cb -0.15 -3.20 0.05 0.00 0.35 0.00 0.00 41.96 39.02 1vyn s TYR 44 CO 0.17 -0.62 0.53 0.95 -1.34 0.00 0.00 175.55 175.23 1vyn s THR 45 N 2.83 5.00 0.21 4.34 -4.23 0.05 -1.29 115.64 122.55 1vyn s THR 45 Ca 0.27 -0.58 -0.30 0.00 -1.18 0.00 0.00 61.69 59.90 1vyn s THR 45 Cb -0.14 -4.20 -0.09 0.00 1.34 0.00 0.00 72.50 69.41 1vyn s THR 45 CO 0.15 -0.66 1.31 -2.84 -0.54 0.00 0.00 174.62 172.03 1vyn s PRO 46 N 2.29 4.39 0.57 3.99 0.02 -1.26 -4.85 135.00 140.15 1vyn s PRO 46 Ca 0.12 2.06 -0.19 0.00 0.02 0.00 0.00 61.00 63.02 1vyn s PRO 46 Cb -0.20 -3.19 -0.07 0.00 0.02 0.00 0.00 34.50 31.07 1vyn s PRO 46 CO 0.11 -0.25 0.77 -2.30 -0.33 0.00 0.00 177.00 175.01 1vyn n PRO 47 N 2.52 0.75 0.32 5.54 -0.02 -1.26 -4.80 135.00 138.06 1vyn n PRO 47 Ca 0.06 0.29 0.21 0.00 -2.02 0.00 0.00 63.50 62.03 1vyn n PRO 47 Cb 0.43 -1.94 1.11 0.00 -0.02 0.00 0.00 33.50 33.08 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 0.46 0.00 0.00 -0.52 4.20 -1.93 0.40 115.11 117.71 1vyn h GLN 48 Ca -0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1vyn h GLN 48 Cb 1.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.16 1vyn h GLN 48 CO 0.50 0.01 0.00 0.45 -0.67 0.00 0.00 178.83 179.11 1vyn n SER 49 N -3.25 0.00 0.05 1.46 2.88 -1.26 -2.83 113.62 110.67 1vyn n SER 49 Ca -0.03 0.50 -0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1vyn n SER 49 Cb 0.09 -0.50 -0.07 0.00 -0.75 0.00 0.00 64.21 62.99 1vyn n SER 49 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1vyn h PHE 50 N 0.00 0.00 0.00 0.66 -1.00 -0.46 -3.48 116.94 112.66 1vyn h PHE 50 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1vyn h PHE 50 Cb 0.44 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.00 1vyn h PHE 50 CO 0.00 0.61 0.00 0.00 -1.61 0.00 0.00 178.31 177.31 1vyn n GLN 51 N -3.00 -1.95 -3.10 1.51 10.64 -1.13 -4.94 117.38 115.41 1vyn n GLN 51 Ca -0.07 0.48 -0.35 0.00 -1.83 0.00 0.00 57.00 55.23 1vyn n GLN 51 Cb 0.84 -4.94 -0.06 0.00 -0.86 0.00 0.00 30.24 25.22 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 -1.96 6.96 0.30 2.61 0.15 -1.26 -5.06 113.70 115.43 1vyn s SER 52 Ca 0.00 1.39 -0.25 0.00 0.70 0.00 0.00 55.95 57.79 1vyn s SER 52 Cb 0.00 -2.41 -0.09 0.00 -1.71 0.00 0.00 66.02 61.81 1vyn s SER 52 CO 0.00 -0.06 0.90 0.00 1.20 0.00 0.00 173.24 175.27 1vyn s ALA 53 N -1.70 3.26 -0.31 5.45 0.00 -1.26 -4.49 121.76 122.71 1vyn s ALA 53 Ca 0.48 0.45 -0.37 0.00 0.00 0.00 0.00 51.96 52.52 1vyn s ALA 53 Cb -0.14 -3.11 -0.13 0.00 0.00 0.00 0.00 23.12 19.74 1vyn s ALA 53 CO 0.20 0.21 2.05 -2.30 0.00 0.00 0.00 175.76 175.91 1vyn n PRO 54 N 0.66 1.18 -4.32 0.00 -0.02 -1.26 -4.75 135.00 126.49 1vyn n PRO 54 Ca 0.01 0.37 -0.35 0.00 -2.02 0.00 0.00 63.50 61.51 1vyn n PRO 54 Cb 0.50 -2.36 -0.09 0.00 -0.02 0.00 0.00 33.50 31.53 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 5.34 3.00 -0.17 -0.52 1.81 -0.41 -4.84 118.95 123.16 1vyn s ARG 55 Ca 1.05 -0.41 -0.18 0.00 -1.72 0.00 0.00 55.73 54.48 1vyn s ARG 55 Cb -0.92 -2.81 -0.04 0.00 -0.45 0.00 0.00 34.95 30.74 1vyn s ARG 55 CO 0.54 0.70 0.49 0.14 -0.68 0.00 0.00 175.30 176.49 1vyn s VAL 56 N -0.92 5.15 0.11 3.52 -7.23 -1.26 -0.39 120.40 119.38 1vyn s VAL 56 Ca 0.14 0.92 0.11 0.00 -1.81 0.00 0.00 61.98 61.34 1vyn s VAL 56 Cb -0.11 -3.82 -0.04 0.00 0.56 0.00 0.00 36.38 32.97 1vyn s VAL 56 CO 0.03 0.24 -0.27 -0.31 -0.31 0.00 0.00 175.10 174.49 1vyn s TYR 57 N 1.24 2.29 -0.48 2.82 2.02 0.02 -4.94 117.35 120.31 1vyn s TYR 57 Ca 0.24 -0.39 -0.22 0.00 -0.37 0.00 0.00 57.07 56.34 1vyn s TYR 57 Cb -0.15 -1.27 0.03 0.00 -0.40 0.00 0.00 41.96 40.17 1vyn s TYR 57 CO 0.10 0.29 0.73 0.50 -1.57 0.00 0.00 175.55 175.59 1vyn s ARG 58 N -1.87 3.29 -0.05 -0.62 6.06 -1.26 -1.28 118.95 123.22 1vyn s ARG 58 Ca 0.13 -0.39 -0.30 0.00 -2.50 0.00 0.00 55.73 52.67 1vyn s ARG 58 Cb -0.10 -4.00 -0.03 0.00 0.06 0.00 0.00 34.95 30.88 1vyn s ARG 58 CO 0.05 -1.17 1.13 0.08 -2.50 0.00 0.00 175.30 172.90 1vyn s VAL 59 N 3.10 4.41 -0.92 7.11 1.01 0.13 -3.27 120.40 131.98 1vyn s VAL 59 Ca 0.24 1.72 0.26 0.00 0.00 0.00 0.00 61.98 64.21 1vyn s VAL 59 Cb -0.14 -4.11 0.09 0.00 0.00 0.00 0.00 36.38 32.22 1vyn s VAL 59 CO 0.18 0.03 1.56 -3.20 0.00 0.00 0.00 175.10 173.67 1vyn n ASN 60 N 4.86 0.42 0.00 3.32 5.15 -0.80 0.01 115.26 128.22 1vyn n ASN 60 Ca 0.10 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 1vyn n ASN 60 Cb 0.47 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 1vyn n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1vyn n GLY 61 N 1.46 0.38 3.26 8.20 0.00 -0.55 -4.08 105.19 113.85 1vyn n GLY 61 Ca 0.05 -1.32 -0.19 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.49 118.68 121.65 1vyn s LEU 62 Ca 0.00 -0.82 -0.15 0.00 -1.03 0.00 0.00 54.13 52.13 1vyn s LEU 62 Cb 0.00 -0.60 -0.05 0.00 0.03 0.00 0.00 46.19 45.58 1vyn s LEU 62 CO 0.00 -0.13 0.36 -0.94 0.23 0.00 0.00 176.35 175.87 1vyn s SER 63 N -2.49 6.59 0.06 2.29 1.04 0.28 -4.71 113.70 116.75 1vyn s SER 63 Ca 0.10 0.70 0.04 0.00 0.48 0.00 0.00 55.95 57.26 1vyn s SER 63 Cb -0.05 -2.22 0.20 0.00 0.10 0.00 0.00 66.02 64.05 1vyn s SER 63 CO 0.04 0.15 1.08 -2.11 0.98 0.00 0.00 173.24 173.37 1vyn n ARG 64 N 3.08 0.02 -4.26 4.02 1.85 -1.26 -3.96 116.66 116.15 1vyn n ARG 64 Ca -0.12 0.49 -0.34 0.00 -1.00 0.00 0.00 57.85 56.88 1vyn n ARG 64 Cb 0.52 -1.62 -0.13 0.00 -1.05 0.00 0.00 32.46 30.18 1vyn n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1vyn s ALA 65 N -3.03 2.89 0.64 2.89 0.00 -1.26 -5.03 121.76 118.85 1vyn s ALA 65 Ca -0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 1vyn s ALA 65 Cb 0.01 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 1vyn s ALA 65 CO 0.03 -0.04 1.29 -2.14 0.00 0.00 0.00 175.76 174.91 1vyn s PRO 66 N 0.82 2.63 0.59 0.00 0.02 -1.26 -3.45 135.00 134.34 1vyn s PRO 66 Ca -0.01 2.06 0.34 0.00 0.02 0.00 0.00 61.00 63.40 1vyn s PRO 66 Cb -0.15 -1.88 1.86 0.00 0.02 0.00 0.00 34.50 34.36 1vyn s PRO 66 CO 0.02 -1.54 2.22 0.00 -0.33 0.00 0.00 177.00 177.37 1vyn h ALA 67 N 0.64 1.26 -0.00 -1.55 0.00 -1.03 0.26 119.26 118.85 1vyn h ALA 67 Ca -0.51 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1vyn h ALA 67 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1vyn h ALA 67 CO 0.54 0.04 -0.22 0.45 0.00 0.00 0.00 179.25 180.06 1vyn n SER 68 N -3.51 0.33 0.00 0.00 2.88 -0.91 -1.22 113.62 111.20 1vyn n SER 68 Ca -0.02 -0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1vyn n SER 68 Cb 0.14 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1vyn n SER 68 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1vyn n SER 69 N -1.34 4.06 -4.75 -3.46 3.41 0.13 -4.92 113.62 106.75 1vyn n SER 69 Ca 0.08 -0.05 -0.39 0.00 -0.26 0.00 0.00 58.87 58.25 1vyn n SER 69 Cb 0.32 0.91 -0.05 0.00 -0.26 0.00 0.00 64.21 65.13 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 -1.72 4.41 0.16 4.33 2.56 0.68 -4.96 118.70 124.16 1vyn s GLU 70 Ca 0.00 0.91 0.07 0.00 0.00 0.00 0.00 54.97 55.95 1vyn s GLU 70 Cb 0.00 -3.36 -0.04 0.00 2.00 0.00 0.00 34.13 32.73 1vyn s GLU 70 CO 0.00 0.31 -0.01 0.95 -0.56 0.00 0.00 175.26 175.95 1vyn s THR 71 N -0.08 3.73 0.08 -1.70 -4.23 -1.26 -3.23 115.64 108.95 1vyn s THR 71 Ca 0.35 -1.35 -0.14 0.00 -1.18 0.00 0.00 61.69 59.37 1vyn s THR 71 Cb -0.19 -2.85 0.02 0.00 1.34 0.00 0.00 72.50 70.82 1vyn s THR 71 CO 0.20 -0.06 0.33 0.72 -0.54 0.00 0.00 174.62 175.27 1vyn s PHE 72 N -1.62 -0.11 -0.28 3.99 -0.71 -0.65 -4.93 117.98 113.67 1vyn s PHE 72 Ca 0.27 -0.14 -0.16 0.00 -1.04 0.00 0.00 56.93 55.86 1vyn s PHE 72 Cb -0.10 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.82 1vyn s PHE 72 CO 0.18 -0.59 0.41 -2.00 -1.34 0.00 0.00 175.22 171.88 1vyn s GLU 73 N -3.25 3.98 -0.18 1.99 2.12 -1.26 -1.49 118.70 120.62 1vyn s GLU 73 Ca -0.00 0.06 -0.01 0.00 0.36 0.00 0.00 54.97 55.37 1vyn s GLU 73 Cb 0.01 -3.67 0.05 0.00 0.26 0.00 0.00 34.13 30.78 1vyn s GLU 73 CO -0.08 -0.33 -0.01 -1.58 -0.54 0.00 0.00 175.26 172.72 1vyn s HIS 74 N 2.13 1.45 -1.40 5.30 2.46 0.17 -4.73 115.29 120.68 1vyn s HIS 74 Ca 0.16 -1.02 -0.03 0.00 0.47 0.00 0.00 55.06 54.64 1vyn s HIS 74 Cb -0.16 -1.20 0.00 0.00 -0.13 0.00 0.00 32.58 31.10 1vyn s HIS 74 CO 0.10 -0.61 0.40 -0.25 -2.47 0.00 0.00 174.74 171.91 1vyn n ASP 75 N 4.94 -5.47 -0.03 9.88 8.00 -1.26 -1.97 116.55 130.64 1vyn n ASP 75 Ca -0.10 -0.19 -0.00 0.00 0.71 0.00 0.00 54.79 55.20 1vyn n ASP 75 Cb 0.47 -4.36 -0.00 0.00 -0.02 0.00 0.00 41.12 37.21 1vyn n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vyn n GLY 76 N -1.33 0.45 3.36 0.44 0.00 -1.26 -5.02 105.19 101.84 1vyn n GLY 76 Ca -0.13 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.53 2.35 -0.25 1.61 -0.14 -0.83 -5.08 119.74 116.86 1vyn s LYS 77 Ca 0.00 -0.84 -0.16 0.00 -1.36 0.00 0.00 55.97 53.61 1vyn s LYS 77 Cb 0.00 -2.19 -0.03 0.00 -1.68 0.00 0.00 37.83 33.93 1vyn s LYS 77 CO 0.00 0.54 0.43 0.15 -0.76 0.00 0.00 175.35 175.71 1vyn s LYS 78 N -0.55 4.07 0.32 1.68 1.02 -1.26 0.44 119.74 125.47 1vyn s LYS 78 Ca 0.08 0.18 0.05 0.00 0.02 0.00 0.00 55.97 56.29 1vyn s LYS 78 Cb -0.11 -3.63 -0.06 0.00 -0.52 0.00 0.00 37.83 33.51 1vyn s LYS 78 CO 0.00 -0.25 0.03 0.14 -0.92 0.00 0.00 175.35 174.35 1vyn s VAL 79 N 1.99 1.36 -0.05 3.17 -7.23 -0.55 -4.87 120.40 114.23 1vyn s VAL 79 Ca 0.18 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.27 1vyn s VAL 79 Cb -0.16 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 1vyn s VAL 79 CO 0.09 -0.06 0.19 0.42 -0.31 0.00 0.00 175.10 175.42 1vyn s THR 80 N -3.18 5.43 0.47 5.32 -4.23 -1.26 -1.64 115.64 116.55 1vyn s THR 80 Ca 0.35 0.09 0.17 0.00 -1.18 0.00 0.00 61.69 61.12 1vyn s THR 80 Cb 0.08 -3.49 0.22 0.00 1.34 0.00 0.00 72.50 70.65 1vyn s THR 80 CO 0.15 0.47 2.05 0.40 -0.54 0.00 0.00 174.62 177.15 1vyn h ILE 81 N 3.38 1.00 0.01 2.99 2.04 -1.23 0.29 117.51 125.99 1vyn h ILE 81 Ca -0.52 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 1vyn h ILE 81 Cb 1.21 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1vyn h ILE 81 CO 0.64 0.13 -0.01 0.00 0.00 0.00 0.00 178.15 178.91 1vyn h ALA 82 N 1.87 -0.02 0.00 1.87 0.00 -1.43 -1.74 119.26 119.82 1vyn h ALA 82 Ca -0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1vyn h ALA 82 Cb 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1vyn h ALA 82 CO 0.02 -0.46 -0.65 0.77 0.00 0.00 0.00 179.25 178.93 1vyn h SER 83 N -0.12 0.00 -0.18 0.00 0.02 -1.64 -2.44 113.55 109.20 1vyn h SER 83 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vyn h SER 83 Cb 0.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1vyn h SER 83 CO 0.00 0.65 0.11 0.22 -1.14 0.00 0.00 176.83 176.67 1vyn h TYR 84 N 0.00 0.21 -0.03 3.45 3.20 -0.21 -0.66 116.97 122.93 1vyn h TYR 84 Ca -0.01 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.69 1vyn h TYR 84 Cb 1.18 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 1vyn h TYR 84 CO 0.00 0.13 -0.76 0.74 -1.64 0.00 0.00 178.16 176.63 1vyn h PHE 85 N 0.23 0.30 0.39 -3.82 0.04 -1.35 -3.18 116.94 109.56 1vyn h PHE 85 Ca 0.07 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 1vyn h PHE 85 Cb -0.02 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1vyn h PHE 85 CO -0.07 0.89 -0.26 1.25 -0.60 0.00 0.00 178.31 179.52 1vyn h HIS 86 N 0.14 -0.69 0.00 -0.55 2.76 -0.90 -0.18 115.15 115.72 1vyn h HIS 86 Ca -0.03 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1vyn h HIS 86 Cb 1.33 0.25 0.00 0.00 1.55 0.00 0.00 27.41 30.54 1vyn h HIS 86 CO 0.03 -0.40 0.00 0.77 -1.30 0.00 0.00 177.93 177.03 1vyn h SER 87 N -0.64 0.00 -0.21 3.26 0.02 -1.26 -1.27 113.55 113.45 1vyn h SER 87 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1vyn h SER 87 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1vyn h SER 87 CO 0.03 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.26 1vyn n ARG 88 N -2.61 1.89 -2.81 3.45 3.00 -0.82 -4.87 116.66 113.89 1vyn n ARG 88 Ca 0.02 -0.92 -0.10 0.00 -0.01 0.00 0.00 57.85 56.83 1vyn n ARG 88 Cb 0.28 -1.46 0.03 0.00 0.00 0.00 0.00 32.46 31.31 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 0.19 -3.77 -3.43 0.55 3.02 -0.48 -4.64 115.26 106.70 1vyn n ASN 89 Ca 0.08 -0.19 -0.24 0.00 -0.03 0.00 0.00 54.58 54.20 1vyn n ASN 89 Cb 0.37 -2.47 -0.11 0.00 -0.61 0.00 0.00 39.78 36.96 1vyn n ASN 89 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1vyn s TYR 90 N -3.00 0.25 -0.39 3.10 5.04 -0.14 -4.83 117.35 117.37 1vyn s TYR 90 Ca 0.20 -1.17 -0.28 0.00 -2.44 0.00 0.00 57.07 53.38 1vyn s TYR 90 Cb -0.09 -0.71 -0.01 0.00 0.35 0.00 0.00 41.96 41.49 1vyn s TYR 90 CO 0.25 -0.88 1.74 -1.25 -1.34 0.00 0.00 175.55 174.07 1vyn s PRO 91 N 1.40 3.25 0.31 4.97 0.04 -1.26 -2.96 135.00 140.75 1vyn s PRO 91 Ca 0.16 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 1vyn s PRO 91 Cb -0.19 -4.20 -0.13 0.00 0.04 0.00 0.00 34.50 30.02 1vyn s PRO 91 CO -0.07 -1.96 1.24 1.28 0.04 0.00 0.00 177.00 177.53 1vyn n LEU 92 N 10.47 3.01 0.21 -3.56 4.77 -1.26 -4.89 117.00 125.75 1vyn n LEU 92 Ca 0.21 1.19 0.09 0.00 -0.03 0.00 0.00 56.01 57.47 1vyn n LEU 92 Cb 0.48 -1.42 0.35 0.00 -2.33 0.00 0.00 43.42 40.50 1vyn n LEU 92 CO 0.69 -0.72 0.74 0.11 -1.33 0.00 0.00 177.39 176.89 1vyn h LYS 93 N 2.75 0.00 -2.02 3.23 1.57 -2.02 -3.35 116.57 116.73 1vyn h LYS 93 Ca -0.44 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.80 1vyn h LYS 93 Cb 1.30 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.21 1vyn h LYS 93 CO 0.65 0.25 -1.09 1.19 -0.57 0.00 0.00 179.45 179.87 1vyn n PHE 94 N -3.31 0.26 0.12 -1.35 3.72 -1.26 -4.51 117.46 111.13 1vyn n PHE 94 Ca 0.01 -3.71 -0.02 0.00 -0.05 0.00 0.00 57.45 53.67 1vyn n PHE 94 Cb 0.50 -0.39 0.17 0.00 -0.94 0.00 0.00 39.48 38.81 1vyn n PHE 94 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1vyn h PRO 95 N 3.59 0.10 -0.00 -1.08 0.11 -1.97 -3.10 132.00 129.65 1vyn h PRO 95 Ca 0.09 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1vyn h PRO 95 Cb 0.89 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1vyn h PRO 95 CO 0.51 0.65 -0.01 1.04 -0.21 0.00 0.00 178.00 179.98 1vyn n GLN 96 N -3.87 0.59 -3.72 1.05 3.00 -1.26 -2.13 117.38 111.04 1vyn n GLN 96 Ca -0.02 -0.03 -0.21 0.00 -0.01 0.00 0.00 57.00 56.74 1vyn n GLN 96 Cb 0.59 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.30 1vyn n GLN 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1vyn s LEU 97 N -2.44 3.72 0.64 1.08 1.43 -1.17 -4.56 118.68 117.38 1vyn s LEU 97 Ca 0.33 -0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 52.85 1vyn s LEU 97 Cb 0.21 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 1vyn s LEU 97 CO 0.44 -0.37 1.30 1.41 0.23 0.00 0.00 176.35 179.36 1vyn n HIS 98 N -1.45 1.95 -3.40 0.29 8.25 -1.26 -0.68 115.22 118.92 1vyn n HIS 98 Ca -0.02 0.42 -0.30 0.00 -0.26 0.00 0.00 57.72 57.57 1vyn n HIS 98 Cb 0.59 -2.27 -0.04 0.00 1.12 0.00 0.00 29.99 29.39 1vyn n HIS 98 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vyn s LEU 100 N -3.25 4.36 -0.34 0.00 2.96 0.22 -0.56 118.68 122.08 1vyn s LEU 100 Ca 0.44 1.76 -0.03 0.00 -0.22 0.00 0.00 54.13 56.08 1vyn s LEU 100 Cb -0.11 -3.57 0.07 0.00 0.50 0.00 0.00 46.19 43.07 1vyn s LEU 100 CO 0.27 -0.33 0.09 0.21 -1.32 0.00 0.00 176.35 175.26 1vyn s ASN 101 N 1.04 5.10 0.30 3.68 2.47 0.35 -0.63 114.94 127.26 1vyn s ASN 101 Ca 0.54 -1.46 0.11 0.00 0.42 0.00 0.00 52.86 52.46 1vyn s ASN 101 Cb -0.23 -1.79 -0.05 0.00 -1.45 0.00 0.00 41.25 37.73 1vyn s ASN 101 CO 0.28 -0.36 -0.12 0.68 -3.72 0.00 0.00 177.10 173.85 1vyn s VAL 102 N 1.26 2.61 0.00 -5.21 -7.23 -0.37 -1.48 120.40 109.97 1vyn s VAL 102 Ca -0.00 -2.24 0.00 0.00 -1.81 0.00 0.00 61.98 57.93 1vyn s VAL 102 Cb -0.21 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.22 1vyn s VAL 102 CO -0.01 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 1vyn n GLY 103 N -0.74 0.95 3.42 2.32 0.00 -1.20 -0.50 105.19 109.44 1vyn n GLY 103 Ca -0.05 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 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 0.98 0.12 1.61 1.04 0.62 -4.77 113.70 109.30 1vyn s SER 104 Ca 0.00 -1.51 -0.17 0.00 0.48 0.00 0.00 55.95 54.75 1vyn s SER 104 Cb 0.00 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 1vyn s SER 104 CO 0.00 -1.19 1.63 0.28 0.98 0.00 0.00 173.24 174.95 1vyn h SER 105 N 2.17 0.51 0.40 7.02 0.02 -2.01 -3.23 113.55 118.42 1vyn h SER 105 Ca -0.28 -0.21 -0.29 0.00 -0.84 0.00 0.00 61.79 60.17 1vyn h SER 105 Cb 1.24 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 63.67 1vyn h SER 105 CO 0.39 0.58 -1.28 0.16 -1.14 0.00 0.00 176.83 175.55 1vyn h ILE 106 N 0.41 1.39 -3.47 3.27 -2.65 -2.00 -3.40 117.51 111.05 1vyn h ILE 106 Ca 0.11 -2.77 -0.71 0.00 1.03 0.00 0.00 64.86 62.52 1vyn h ILE 106 Cb 0.26 2.86 -0.30 0.00 -2.05 0.00 0.00 36.82 37.59 1vyn h ILE 106 CO -0.00 0.82 -0.49 -0.54 0.03 0.00 0.00 178.15 177.97 1vyn s LYS 107 N -2.78 2.46 -0.40 0.16 -0.14 -1.22 -5.05 119.74 112.77 1vyn s LYS 107 Ca -0.07 -1.54 -0.07 0.00 -1.36 0.00 0.00 55.97 52.93 1vyn s LYS 107 Cb 0.06 -3.71 0.08 0.00 -1.68 0.00 0.00 37.83 32.58 1vyn s LYS 107 CO 0.91 -0.97 0.21 -1.54 -0.76 0.00 0.00 175.35 173.20 1vyn s SER 108 N 2.05 5.49 -0.47 2.83 1.04 -1.24 -0.27 113.70 123.13 1vyn s SER 108 Ca 0.04 -1.52 -0.27 0.00 0.48 0.00 0.00 55.95 54.68 1vyn s SER 108 Cb -0.23 -1.93 0.03 0.00 0.10 0.00 0.00 66.02 63.99 1vyn s SER 108 CO 0.00 -0.49 1.01 -0.63 0.98 0.00 0.00 173.24 174.11 1vyn s ILE 109 N 1.37 4.36 -0.31 -1.02 1.01 0.35 -4.92 121.20 122.04 1vyn s ILE 109 Ca 0.03 0.95 -0.10 0.00 0.00 0.00 0.00 60.65 61.53 1vyn s ILE 109 Cb -0.22 -4.51 -0.01 0.00 0.01 0.00 0.00 42.46 37.73 1vyn s ILE 109 CO 0.01 -0.91 0.15 -0.76 0.00 0.00 0.00 174.94 173.43 1vyn s LEU 110 N 4.04 4.07 0.50 2.97 1.43 -1.25 -1.24 118.68 129.21 1vyn s LEU 110 Ca 0.42 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1vyn s LEU 110 Cb -0.09 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 1vyn s LEU 110 CO 0.29 -0.18 0.01 -0.76 0.23 0.00 0.00 176.35 175.94 1vyn s LEU 111 N 1.62 2.26 -0.11 1.79 1.43 0.20 -4.87 118.68 121.00 1vyn s LEU 111 Ca 0.05 -1.66 -0.05 0.00 -1.03 0.00 0.00 54.13 51.44 1vyn s LEU 111 Cb -0.17 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 1vyn s LEU 111 CO 0.06 -0.86 0.07 -2.16 0.23 0.00 0.00 176.35 173.69 1vyn s PRO 112 N -3.86 3.32 0.23 1.29 0.04 -1.26 0.73 135.00 135.48 1vyn s PRO 112 Ca 0.07 -0.27 0.20 0.00 0.04 0.00 0.00 61.00 61.04 1vyn s PRO 112 Cb 0.02 -3.03 0.92 0.00 0.04 0.00 0.00 34.50 32.44 1vyn s PRO 112 CO 0.04 0.69 1.62 1.51 0.04 0.00 0.00 177.00 180.89 1vyn n ILE 113 N 2.24 0.99 0.23 0.56 0.13 -1.26 -1.24 119.36 121.01 1vyn n ILE 113 Ca -0.19 0.39 0.07 0.00 -1.10 0.00 0.00 62.75 61.93 1vyn n ILE 113 Cb 0.54 -1.33 0.56 0.00 -0.84 0.00 0.00 39.64 38.58 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 -0.65 9.51 4.57 -1.97 -2.47 114.58 123.56 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 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1vyn h GLU 114 CO 0.00 0.18 0.00 1.28 -1.18 0.00 0.00 179.01 179.29 1vyn n LEU 115 N -4.06 4.17 -3.99 1.64 4.77 -0.37 -4.85 117.00 114.30 1vyn n LEU 115 Ca -0.02 -2.11 -0.19 0.00 -0.03 0.00 0.00 56.01 53.66 1vyn n LEU 115 Cb 0.26 -0.57 -0.15 0.00 -2.33 0.00 0.00 43.42 40.63 1vyn n LEU 115 CO 0.34 0.59 -0.43 0.00 -1.33 0.00 0.00 177.39 176.57 1vyn s SER 117 N 0.10 4.35 -0.02 0.00 0.01 -0.10 -2.30 113.70 115.75 1vyn s SER 117 Ca -0.01 -0.40 -0.15 0.00 1.31 0.00 0.00 55.95 56.71 1vyn s SER 117 Cb -0.07 -0.82 -0.05 0.00 0.21 0.00 0.00 66.02 65.29 1vyn s SER 117 CO 0.00 0.18 0.40 -0.51 0.41 0.00 0.00 173.24 173.72 1vyn s ILE 118 N -1.20 5.07 0.07 1.44 2.07 0.17 0.23 121.20 129.05 1vyn s ILE 118 Ca 0.21 0.81 -0.30 0.00 -1.41 0.00 0.00 60.65 59.96 1vyn s ILE 118 Cb -0.11 -3.70 -0.05 0.00 0.13 0.00 0.00 42.46 38.73 1vyn s ILE 118 CO 0.13 0.56 0.99 -1.61 -1.91 0.00 0.00 174.94 173.10 1vyn s GLU 119 N -0.93 4.63 0.00 3.50 2.02 -1.23 -1.39 118.70 125.29 1vyn s GLU 119 Ca 0.23 1.47 0.10 0.00 0.02 0.00 0.00 54.97 56.80 1vyn s GLU 119 Cb -0.16 -3.40 0.62 0.00 0.10 0.00 0.00 34.13 31.28 1vyn s GLU 119 CO 0.12 0.09 1.06 -0.85 0.02 0.00 0.00 175.26 175.70