#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhp n VAL 2 N 0.00 -1.29 -3.15 2.62 0.31 -1.26 -4.94 118.33 110.62 1vhp n VAL 2 Ca 0.00 1.00 0.06 0.00 -0.01 0.00 0.00 64.34 65.39 1vhp n VAL 2 Cb 0.00 -1.55 -0.02 0.00 -0.91 0.00 0.00 33.84 31.36 1vhp n VAL 2 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1vhp s GLN 3 N -4.47 0.04 0.35 5.55 0.74 -1.26 -4.59 119.66 116.01 1vhp s GLN 3 Ca 0.00 0.07 -0.02 0.00 0.05 0.00 0.00 55.36 55.46 1vhp s GLN 3 Cb 0.00 0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.15 1vhp s GLN 3 CO 0.00 -0.04 0.48 -0.48 -0.55 0.00 0.00 175.29 174.70 1vhp s LEU 4 N 2.97 1.07 0.00 3.68 -0.00 -1.26 -1.01 118.68 124.12 1vhp s LEU 4 Ca -0.10 -1.53 0.00 0.00 -0.00 0.00 0.00 54.13 52.51 1vhp s LEU 4 Cb -0.08 1.46 0.00 0.00 -0.00 0.00 0.00 46.19 47.57 1vhp s LEU 4 CO -0.07 -1.31 0.00 1.33 -0.00 0.00 0.00 176.35 176.29 1vhp n VAL 5 N -0.59 0.00 -0.12 1.48 0.24 -1.10 -4.48 118.33 113.77 1vhp n VAL 5 Ca 0.01 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.32 1vhp n VAL 5 Cb 0.61 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1vhp n VAL 5 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1vhp n GLU 6 N 0.00 -0.15 0.00 7.34 -0.00 -1.26 -4.38 120.64 122.19 1vhp n GLU 6 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.16 57.26 1vhp n GLU 6 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 31.44 31.21 1vhp n GLU 6 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1vhp n SER 7 N -4.45 0.00 0.00 -1.84 2.88 -1.04 -2.98 113.62 106.19 1vhp n SER 7 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1vhp n SER 7 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1vhp n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vhp n GLY 8 N -1.11 0.97 0.00 0.46 0.00 -1.26 0.81 105.19 105.06 1vhp n GLY 8 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1vhp n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vhp n GLY 9 N 0.00 1.28 3.61 -0.02 0.00 -1.23 -4.97 105.19 103.86 1vhp n GLY 9 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 1vhp n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vhp s GLY 10 N 0.00 0.73 0.06 -0.02 0.00 -1.26 -4.72 107.32 102.10 1vhp s GLY 10 Ca 0.00 -0.99 0.10 0.00 0.00 0.00 0.00 44.72 43.82 1vhp s GLY 10 CO 0.00 -0.64 -0.26 1.08 0.00 0.00 0.00 173.10 173.27 1vhp s LEU 11 N -3.08 2.20 -0.45 0.66 1.43 -1.26 -2.34 118.68 115.84 1vhp s LEU 11 Ca 0.23 -0.62 0.09 0.00 -1.03 0.00 0.00 54.13 52.80 1vhp s LEU 11 Cb -0.02 -1.27 0.34 0.00 0.03 0.00 0.00 46.19 45.28 1vhp s LEU 11 CO 0.12 0.24 0.81 1.33 0.23 0.00 0.00 176.35 179.08 1vhp n VAL 12 N 1.59 1.08 -0.51 -1.59 0.24 0.56 -3.58 118.33 116.13 1vhp n VAL 12 Ca -0.17 -4.96 -0.15 0.00 -2.04 0.00 0.00 64.34 57.02 1vhp n VAL 12 Cb 0.52 -0.76 0.14 0.00 -1.47 0.00 0.00 33.84 32.27 1vhp n VAL 12 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vhp n GLN 13 N 0.12 -2.28 -1.96 7.34 10.64 -1.23 -4.06 117.38 125.95 1vhp n GLN 13 Ca 0.27 -0.68 -0.41 0.00 -1.83 0.00 0.00 57.00 54.36 1vhp n GLN 13 Cb 0.55 -1.44 -0.03 0.00 -0.86 0.00 0.00 30.24 28.47 1vhp n GLN 13 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1vhp s PRO 14 N -3.43 2.97 0.00 2.61 0.04 -1.26 -0.62 135.00 135.30 1vhp s PRO 14 Ca 0.32 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1vhp s PRO 14 Cb -0.06 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.18 1vhp s PRO 14 CO 0.28 -2.30 0.00 0.41 0.04 0.00 0.00 177.00 175.42 1vhp n GLY 15 N 5.58 1.16 0.00 0.56 0.00 -1.26 -4.97 105.19 106.26 1vhp n GLY 15 Ca 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1vhp n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vhp n GLY 16 N -1.54 0.63 0.00 -0.02 0.00 0.21 -4.95 105.19 99.51 1vhp n GLY 16 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1vhp n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vhp n SER 17 N 0.00 0.00 -4.66 1.61 3.41 -1.23 -4.55 113.62 108.20 1vhp n SER 17 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 1vhp n SER 17 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1vhp n SER 17 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1vhp s LEU 18 N 0.00 3.23 -0.38 1.04 1.02 -0.34 -4.34 118.68 118.91 1vhp s LEU 18 Ca 0.00 -0.63 0.01 0.00 0.02 0.00 0.00 54.13 53.52 1vhp s LEU 18 Cb 0.00 -1.75 0.12 0.00 0.02 0.00 0.00 46.19 44.59 1vhp s LEU 18 CO 0.00 -0.02 0.18 -0.60 0.02 0.00 0.00 176.35 175.93 1vhp s ARG 19 N -3.69 0.97 0.00 1.70 3.52 -1.25 -2.47 118.95 117.73 1vhp s ARG 19 Ca 0.32 -1.56 0.00 0.00 -0.13 0.00 0.00 55.73 54.36 1vhp s ARG 19 Cb -0.06 -2.06 0.00 0.00 -1.56 0.00 0.00 34.95 31.26 1vhp s ARG 19 CO 0.20 -1.10 0.00 1.28 -0.81 0.00 0.00 175.30 174.87 1vhp n LEU 20 N 4.10 0.00 0.00 -0.88 7.99 -1.08 -3.53 117.00 123.60 1vhp n LEU 20 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.05 1vhp n LEU 20 Cb 0.38 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.69 1vhp n LEU 20 CO 0.18 0.00 0.00 -1.54 -1.51 0.00 0.00 177.39 174.52 1vhp n SER 21 N 0.00 0.00 -3.64 -1.43 3.41 0.24 -1.61 113.62 110.60 1vhp n SER 21 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 1vhp n SER 21 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1vhp n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vhp n ALA 23 N 5.16 -2.21 0.00 0.00 0.00 -1.16 -2.71 120.51 119.59 1vhp n ALA 23 Ca -0.07 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1vhp n ALA 23 Cb 0.46 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1vhp n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vhp n ALA 24 N -3.16 0.00 0.12 0.00 0.00 0.20 -2.71 120.51 114.96 1vhp n ALA 24 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1vhp n ALA 24 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1vhp n ALA 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vhp n SER 25 N 0.00 -0.47 -0.54 0.00 2.88 -0.18 -3.40 113.62 111.91 1vhp n SER 25 Ca 0.00 0.43 0.42 0.00 -1.33 0.00 0.00 58.87 58.39 1vhp n SER 25 Cb 0.00 0.62 0.68 0.00 -0.75 0.00 0.00 64.21 64.76 1vhp n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vhp n GLY 26 N 1.21 -0.83 0.00 0.46 0.00 -1.26 -4.41 105.19 100.36 1vhp n GLY 26 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1vhp n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1vhp n PHE 27 N -4.07 0.00 0.00 1.61 -1.74 -1.26 -4.19 117.46 107.81 1vhp n PHE 27 Ca 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.27 1vhp n PHE 27 Cb 1.62 0.00 0.00 0.00 1.52 0.00 0.00 39.48 42.62 1vhp n PHE 27 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1vhp n THR 28 N 0.00 0.00 0.00 1.97 -2.24 -1.26 -4.93 114.28 107.82 1vhp n THR 28 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1vhp n THR 28 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1vhp n THR 28 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1vhp n PHE 29 N 0.00 -1.30 -0.05 4.78 3.01 -1.26 -4.70 117.46 117.94 1vhp n PHE 29 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.40 1vhp n PHE 29 Cb 0.00 0.26 -0.14 0.00 -0.01 0.00 0.00 39.48 39.59 1vhp n PHE 29 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1vhp n SER 30 N -2.01 0.37 -0.06 4.37 7.64 -1.26 -2.21 113.62 120.46 1vhp n SER 30 Ca 0.00 0.17 -0.08 0.00 1.01 0.00 0.00 58.87 59.98 1vhp n SER 30 Cb 0.00 0.67 -0.01 0.00 -1.01 0.00 0.00 64.21 63.86 1vhp n SER 30 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1vhp h SER 31 N 0.00 -0.07 -0.55 6.43 0.87 -1.96 -1.67 113.55 116.60 1vhp h SER 31 Ca -0.36 0.05 -0.23 0.00 -1.23 0.00 0.00 61.79 60.02 1vhp h SER 31 Cb 1.96 0.09 -0.14 0.00 -0.44 0.00 0.00 62.40 63.87 1vhp h SER 31 CO 0.04 -0.00 0.16 -1.22 -0.53 0.00 0.00 176.83 175.28 1vhp n TYR 32 N -5.13 1.74 -0.60 2.24 4.02 -1.26 -5.04 117.16 113.13 1vhp n TYR 32 Ca -0.01 -1.47 0.08 0.00 -0.01 0.00 0.00 57.90 56.49 1vhp n TYR 32 Cb 0.13 -0.60 -0.02 0.00 -0.02 0.00 0.00 39.34 38.83 1vhp n TYR 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1vhp n ALA 33 N -0.86 -2.71 0.00 -0.72 0.00 -0.63 -4.78 120.51 110.80 1vhp n ALA 33 Ca 0.38 0.19 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1vhp n ALA 33 Cb 1.22 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1vhp n ALA 33 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1vhp n MET 34 N -2.05 0.00 -4.61 0.00 0.00 -0.94 -4.60 117.12 104.92 1vhp n MET 34 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.43 1vhp n MET 34 Cb 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.68 1vhp n MET 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1vhp s SER 35 N 0.00 3.82 -0.17 6.12 0.15 0.13 -1.53 113.70 122.23 1vhp s SER 35 Ca 0.00 -1.36 -0.32 0.00 0.70 0.00 0.00 55.95 54.97 1vhp s SER 35 Cb 0.00 -0.39 0.14 0.00 -1.71 0.00 0.00 66.02 64.06 1vhp s SER 35 CO 0.00 -0.44 1.13 -1.66 1.20 0.00 0.00 173.24 173.47 1vhp s TRP 36 N -2.72 -0.21 0.00 3.44 1.48 -0.81 -0.84 118.94 119.28 1vhp s TRP 36 Ca 0.35 0.23 0.00 0.00 -1.06 0.00 0.00 56.10 55.62 1vhp s TRP 36 Cb 0.09 0.50 0.00 0.00 -1.16 0.00 0.00 33.47 32.90 1vhp s TRP 36 CO 0.18 -0.27 0.00 0.28 -4.06 0.00 0.00 176.95 173.08 1vhp n VAL 37 N 0.17 0.00 -0.39 -0.66 0.31 -0.17 -3.16 118.33 114.42 1vhp n VAL 37 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1vhp n VAL 37 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 1vhp n VAL 37 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1vhp n ARG 38 N 0.00 0.00 0.00 5.55 3.00 -1.06 -2.68 116.66 121.47 1vhp n ARG 38 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 57.85 57.97 1vhp n ARG 38 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 32.46 32.11 1vhp n ARG 38 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1vhp n GLN 39 N -0.09 0.00 -3.59 5.56 0.00 0.18 -4.12 117.38 115.31 1vhp n GLN 39 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 56.78 1vhp n GLN 39 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 1vhp n GLN 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1vhp s ALA 40 N 0.00 4.26 0.93 1.69 0.00 -1.01 0.85 121.76 128.48 1vhp s ALA 40 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.23 1vhp s ALA 40 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1vhp s ALA 40 CO 0.00 -0.38 0.00 -0.35 0.00 0.00 0.00 175.76 175.03 1vhp n PRO 41 N -1.70 2.42 0.25 0.00 -0.04 -1.26 -4.28 135.00 130.40 1vhp n PRO 41 Ca 0.04 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.55 1vhp n PRO 41 Cb 0.62 0.00 0.32 0.00 -0.04 0.00 0.00 33.50 34.40 1vhp n PRO 41 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1vhp h GLY 42 N 0.00 0.00 -1.56 0.55 0.00 -2.00 0.11 103.07 100.17 1vhp h GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vhp h GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 1vhp n LYS 43 N -2.33 0.67 -0.16 4.80 4.81 -1.26 -4.96 118.16 119.73 1vhp n LYS 43 Ca -0.01 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.45 1vhp n LYS 43 Cb 0.60 -1.24 -0.01 0.00 0.02 0.00 0.00 35.03 34.41 1vhp n LYS 43 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1vhp n GLU 44 N 0.44 -0.33 -0.06 1.64 0.28 0.38 -4.64 120.64 118.34 1vhp n GLU 44 Ca 0.00 0.22 -0.03 0.00 -0.16 0.00 0.00 57.16 57.19 1vhp n GLU 44 Cb 0.26 -0.40 0.03 0.00 1.43 0.00 0.00 31.44 32.75 1vhp n GLU 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1vhp n ARG 45 N -1.03 -0.61 0.00 3.44 3.00 -1.26 -2.41 116.66 117.79 1vhp n ARG 45 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 57.85 57.72 1vhp n ARG 45 Cb 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 32.46 32.31 1vhp n ARG 45 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1vhp n GLU 46 N -1.33 0.00 -1.21 5.56 2.13 -1.26 -4.28 120.64 120.24 1vhp n GLU 46 Ca 0.01 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.54 1vhp n GLU 46 Cb 0.05 0.00 0.21 0.00 0.27 0.00 0.00 31.44 31.97 1vhp n GLU 46 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1vhp s ILE 47 N 0.00 1.78 0.00 6.31 -1.16 -1.26 -2.55 121.20 124.32 1vhp s ILE 47 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 1vhp s ILE 47 Cb 0.00 -2.55 0.00 0.00 0.61 0.00 0.00 42.46 40.52 1vhp s ILE 47 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 174.94 172.65 1vhp n VAL 48 N -4.44 0.00 -3.62 4.00 0.31 -1.23 -3.45 118.33 109.90 1vhp n VAL 48 Ca 0.10 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.42 1vhp n VAL 48 Cb 0.59 -0.08 -0.02 0.00 -0.91 0.00 0.00 33.84 33.42 1vhp n VAL 48 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1vhp s SER 49 N -2.15 -0.02 0.29 4.52 0.01 -1.19 -1.49 113.70 113.67 1vhp s SER 49 Ca 0.00 -0.01 -0.20 0.00 1.31 0.00 0.00 55.95 57.06 1vhp s SER 49 Cb 0.00 0.03 0.05 0.00 0.21 0.00 0.00 66.02 66.31 1vhp s SER 49 CO 0.00 -0.05 0.82 0.00 0.41 0.00 0.00 173.24 174.42 1vhp s ALA 50 N -2.09 -1.14 -0.34 1.44 0.00 -1.10 -1.92 121.76 116.61 1vhp s ALA 50 Ca 0.12 -0.43 0.05 0.00 0.00 0.00 0.00 51.96 51.70 1vhp s ALA 50 Cb 0.01 0.74 0.17 0.00 0.00 0.00 0.00 23.12 24.04 1vhp s ALA 50 CO -0.04 -1.02 0.49 0.54 0.00 0.00 0.00 175.76 175.73 1vhp s VAL 51 N -2.95 -0.71 0.37 0.00 0.11 -0.58 -1.61 120.40 115.03 1vhp s VAL 51 Ca 0.14 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.86 1vhp s VAL 51 Cb -0.05 -0.63 -0.00 0.00 -1.53 0.00 0.00 36.38 34.17 1vhp s VAL 51 CO 0.08 -0.24 0.04 -0.24 -3.33 0.00 0.00 175.10 171.41 1vhp n SER 52 N 4.81 2.35 -2.96 3.54 2.88 -0.72 -2.21 113.62 121.32 1vhp n SER 52 Ca 0.07 -2.73 -0.12 0.00 -1.33 0.00 0.00 58.87 54.75 1vhp n SER 52 Cb 0.51 0.49 0.01 0.00 -0.75 0.00 0.00 64.21 64.47 1vhp n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vhp n GLY 53 N 0.10 -1.41 1.92 0.46 0.00 -1.26 0.79 105.19 105.79 1vhp n GLY 53 Ca -0.12 1.10 -0.07 0.00 0.00 0.00 0.00 46.02 46.93 1vhp n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vhp n SER 54 N -0.09 -2.14 0.00 1.61 3.41 -1.26 0.87 113.62 116.02 1vhp n SER 54 Ca 0.06 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1vhp n SER 54 Cb 0.44 -2.08 0.00 0.00 -0.26 0.00 0.00 64.21 62.31 1vhp n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vhp n GLY 55 N -0.36 2.39 0.42 5.00 0.00 -0.72 -4.84 105.19 107.08 1vhp n GLY 55 Ca -0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1vhp n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vhp h GLY 56 N 0.00 -0.66 -3.02 -0.02 0.00 0.76 -3.36 103.07 96.77 1vhp h GLY 56 Ca 0.00 0.71 -0.58 0.00 0.00 0.00 0.00 47.33 47.46 1vhp h GLY 56 CO 0.00 -0.04 -0.21 -1.26 0.00 0.00 0.00 176.54 175.03 1vhp n SER 57 N -5.32 -0.39 -3.59 0.19 2.88 0.24 -4.80 113.62 102.82 1vhp n SER 57 Ca 0.03 0.77 -0.11 0.00 -1.33 0.00 0.00 58.87 58.23 1vhp n SER 57 Cb 0.31 -1.25 -0.06 0.00 -0.75 0.00 0.00 64.21 62.46 1vhp n SER 57 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1vhp s THR 58 N -1.63 0.00 0.22 2.46 -4.23 -1.26 -1.75 115.64 109.45 1vhp s THR 58 Ca 0.71 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 61.33 1vhp s THR 58 Cb -0.44 -1.00 -0.05 0.00 1.34 0.00 0.00 72.50 72.35 1vhp s THR 58 CO 0.52 0.00 -0.21 -0.31 -0.54 0.00 0.00 174.62 174.08 1vhp s TYR 59 N -0.68 2.34 -0.43 3.99 1.51 -0.63 -4.77 117.35 118.67 1vhp s TYR 59 Ca -0.01 -0.33 0.08 0.00 -1.01 0.00 0.00 57.07 55.79 1vhp s TYR 59 Cb -0.02 -1.11 0.28 0.00 -0.11 0.00 0.00 41.96 41.01 1vhp s TYR 59 CO 0.00 0.58 0.80 0.66 -1.11 0.00 0.00 175.55 176.48 1vhp n TYR 60 N -0.08 -1.63 0.00 2.71 4.02 -1.23 -2.71 117.16 118.24 1vhp n TYR 60 Ca -0.10 -2.80 0.00 0.00 -0.01 0.00 0.00 57.90 54.99 1vhp n TYR 60 Cb 0.57 0.60 0.00 0.00 -0.02 0.00 0.00 39.34 40.49 1vhp n TYR 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1vhp n ALA 61 N 1.02 0.00 0.00 -0.72 0.00 -0.56 -2.61 120.51 117.64 1vhp n ALA 61 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1vhp n ALA 61 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1vhp n ALA 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1vhp n ASP 62 N 4.37 0.00 0.04 0.00 2.03 -1.26 -4.78 116.55 116.95 1vhp n ASP 62 Ca 0.00 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.16 1vhp n ASP 62 Cb 0.00 0.07 -0.05 0.00 -0.72 0.00 0.00 41.12 40.42 1vhp n ASP 62 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1vhp h SER 63 N 0.00 0.66 -0.15 1.67 0.87 -1.98 -3.21 113.55 111.42 1vhp h SER 63 Ca 0.00 -0.50 -0.18 0.00 -1.23 0.00 0.00 61.79 59.88 1vhp h SER 63 Cb 0.00 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1vhp h SER 63 CO 0.00 1.28 -0.57 -0.37 -0.53 0.00 0.00 176.83 176.65 1vhp h VAL 64 N 0.32 1.29 -5.89 2.23 -1.51 -1.91 -3.46 116.25 107.33 1vhp h VAL 64 Ca -0.08 -1.78 -0.08 0.00 -1.23 0.00 0.00 66.70 63.54 1vhp h VAL 64 Cb 1.52 1.71 -0.02 0.00 -2.13 0.00 0.00 31.29 32.38 1vhp h VAL 64 CO 0.16 0.57 -0.12 2.29 -1.23 0.00 0.00 177.57 179.24 1vhp n LYS 65 N -3.98 -0.98 0.00 5.19 2.85 -1.07 -0.07 118.16 120.10 1vhp n LYS 65 Ca -0.04 -0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 1vhp n LYS 65 Cb 0.63 -0.15 0.00 0.00 -0.65 0.00 0.00 35.03 34.86 1vhp n LYS 65 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vhp n GLY 66 N -1.16 0.29 0.47 2.58 0.00 -1.26 -4.97 105.19 101.14 1vhp n GLY 66 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 1vhp n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vhp n ARG 67 N 0.00 1.92 -4.58 1.61 0.63 0.90 -5.01 116.66 112.14 1vhp n ARG 67 Ca 0.00 -2.76 -0.26 0.00 -0.92 0.00 0.00 57.85 53.91 1vhp n ARG 67 Cb 0.00 -1.65 -0.11 0.00 0.45 0.00 0.00 32.46 31.15 1vhp n ARG 67 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1vhp s PHE 68 N -2.91 2.38 -0.05 -0.14 0.40 -1.26 -4.59 117.98 111.81 1vhp s PHE 68 Ca 0.37 -0.74 -0.02 0.00 -0.60 0.00 0.00 56.93 55.94 1vhp s PHE 68 Cb 0.32 -1.65 0.03 0.00 0.51 0.00 0.00 43.02 42.23 1vhp s PHE 68 CO 0.04 0.34 0.08 -0.08 0.70 0.00 0.00 175.22 176.31 1vhp s THR 69 N -2.85 -0.11 -1.33 0.64 -1.32 -1.00 -5.01 115.64 104.65 1vhp s THR 69 Ca 0.35 0.31 -0.16 0.00 -1.21 0.00 0.00 61.69 60.99 1vhp s THR 69 Cb 0.10 -0.17 0.08 0.00 -1.51 0.00 0.00 72.50 71.00 1vhp s THR 69 CO 0.17 0.13 1.83 0.00 -2.21 0.00 0.00 174.62 174.54 1vhp n ILE 70 N 4.80 3.89 -1.83 5.08 0.13 -1.26 -2.28 119.36 127.89 1vhp n ILE 70 Ca -0.14 -3.94 -0.38 0.00 -1.10 0.00 0.00 62.75 57.19 1vhp n ILE 70 Cb 0.50 -2.43 0.05 0.00 -0.84 0.00 0.00 39.64 36.92 1vhp n ILE 70 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 1vhp s SER 71 N 3.55 5.10 -0.01 9.51 0.01 0.30 -4.84 113.70 127.32 1vhp s SER 71 Ca 0.50 2.65 -0.09 0.00 1.31 0.00 0.00 55.95 60.32 1vhp s SER 71 Cb 0.06 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.67 1vhp s SER 71 CO 0.02 -1.67 0.18 0.00 0.41 0.00 0.00 173.24 172.18 1vhp s ARG 72 N -3.10 0.48 -0.32 12.44 1.04 -1.26 0.50 118.95 128.73 1vhp s ARG 72 Ca 0.75 -0.24 -0.02 0.00 -1.04 0.00 0.00 55.73 55.19 1vhp s ARG 72 Cb -0.38 0.20 0.11 0.00 -2.04 0.00 0.00 34.95 32.85 1vhp s ARG 72 CO 0.42 -0.11 0.15 -0.51 -0.04 0.00 0.00 175.30 175.21 1vhp s ASP 73 N -1.11 3.49 0.00 -2.89 1.11 0.14 -4.75 116.67 112.67 1vhp s ASP 73 Ca -0.12 -1.63 0.00 0.00 0.18 0.00 0.00 52.55 50.98 1vhp s ASP 73 Cb -0.06 -0.48 0.00 0.00 1.07 0.00 0.00 42.92 43.45 1vhp s ASP 73 CO 0.02 -0.40 0.00 -3.20 1.18 0.00 0.00 175.17 172.77 1vhp n ASN 74 N 4.81 0.00 0.00 0.27 2.85 -1.26 -2.23 115.26 119.70 1vhp n ASN 74 Ca -0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1vhp n ASN 74 Cb 0.40 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.42 1vhp n ASN 74 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1vhp n SER 75 N 0.00 0.00 -0.02 1.20 7.64 -1.26 -1.25 113.62 119.92 1vhp n SER 75 Ca 0.00 0.34 0.11 0.00 1.01 0.00 0.00 58.87 60.33 1vhp n SER 75 Cb 0.00 -0.34 0.62 0.00 -1.01 0.00 0.00 64.21 63.49 1vhp n SER 75 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1vhp n LYS 76 N -1.32 1.03 -2.49 1.43 4.01 -0.95 -4.86 118.16 115.01 1vhp n LYS 76 Ca 0.00 -0.04 -0.19 0.00 -0.51 0.00 0.00 58.31 57.57 1vhp n LYS 76 Cb 0.05 -1.34 0.00 0.00 -0.51 0.00 0.00 35.03 33.24 1vhp n LYS 76 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1vhp n ASN 77 N -0.79 -5.47 0.00 4.39 3.02 -0.38 -4.92 115.26 111.10 1vhp n ASN 77 Ca 0.16 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1vhp n ASN 77 Cb 0.08 -4.48 0.00 0.00 -0.61 0.00 0.00 39.78 34.78 1vhp n ASN 77 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1vhp n THR 78 N -4.10 0.00 -4.76 3.41 5.66 -1.11 0.59 114.28 113.97 1vhp n THR 78 Ca -0.20 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.52 1vhp n THR 78 Cb 0.66 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.29 1vhp n THR 78 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1vhp s LEU 79 N 0.00 2.18 0.53 1.09 2.34 -1.10 -0.68 118.68 123.03 1vhp s LEU 79 Ca 0.00 -0.57 0.08 0.00 0.06 0.00 0.00 54.13 53.70 1vhp s LEU 79 Cb 0.00 -1.14 0.05 0.00 -0.56 0.00 0.00 46.19 44.54 1vhp s LEU 79 CO 0.00 0.21 0.60 -0.31 -1.06 0.00 0.00 176.35 175.79 1vhp s TYR 80 N -0.82 1.79 -0.05 3.48 2.02 0.18 0.19 117.35 124.15 1vhp s TYR 80 Ca 0.10 -0.69 -0.02 0.00 -0.37 0.00 0.00 57.07 56.09 1vhp s TYR 80 Cb -0.09 -2.13 0.03 0.00 -0.40 0.00 0.00 41.96 39.36 1vhp s TYR 80 CO 0.02 -0.74 0.05 -0.51 -1.57 0.00 0.00 175.55 172.80 1vhp s LEU 81 N -4.45 0.28 -0.52 -1.29 1.43 -0.63 0.11 118.68 113.61 1vhp s LEU 81 Ca 0.51 0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.48 1vhp s LEU 81 Cb -0.05 -0.21 0.09 0.00 0.03 0.00 0.00 46.19 46.06 1vhp s LEU 81 CO 0.32 -0.23 0.53 -1.10 0.23 0.00 0.00 176.35 176.09 1vhp s GLN 82 N 2.08 3.02 -0.17 1.70 -1.52 -0.97 -2.63 119.66 121.17 1vhp s GLN 82 Ca 0.04 -1.35 0.00 0.00 -1.95 0.00 0.00 55.36 52.10 1vhp s GLN 82 Cb -0.12 -4.20 0.04 0.00 -0.22 0.00 0.00 33.01 28.51 1vhp s GLN 82 CO -0.03 -1.25 -0.10 0.00 -0.25 0.00 0.00 175.29 173.66 1vhp s MET 83 N 2.03 1.89 0.00 2.91 0.23 -1.03 -2.39 119.30 122.95 1vhp s MET 83 Ca 0.07 -0.66 0.00 0.00 -1.03 0.00 0.00 55.69 54.07 1vhp s MET 83 Cb -0.25 -2.19 0.00 0.00 -1.53 0.00 0.00 34.83 30.86 1vhp s MET 83 CO 0.07 -0.38 0.00 0.27 -2.03 0.00 0.00 175.02 172.95 1vhp n ASN 84 N 4.77 0.00 0.00 -1.18 0.23 -1.26 -1.20 115.26 116.62 1vhp n ASN 84 Ca -0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.91 1vhp n ASN 84 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 1vhp n ASN 84 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1vhp n SER 85 N 0.00 0.00 -3.76 0.53 2.88 -1.26 -4.92 113.62 107.09 1vhp n SER 85 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1vhp n SER 85 Cb 0.00 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 1vhp n SER 85 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1vhp n LEU 86 N 0.00 0.00 -2.71 2.46 7.99 -1.26 -4.77 117.00 118.71 1vhp n LEU 86 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 55.92 1vhp n LEU 86 Cb 0.00 0.00 0.11 0.00 -0.11 0.00 0.00 43.42 43.42 1vhp n LEU 86 CO 0.00 -0.71 0.45 -2.11 -1.51 0.00 0.00 177.39 173.52 1vhp n ARG 87 N -0.41 1.09 -2.63 3.23 1.85 -1.26 -4.08 116.66 114.46 1vhp n ARG 87 Ca 0.00 -1.82 -0.04 0.00 -1.00 0.00 0.00 57.85 55.00 1vhp n ARG 87 Cb 0.00 -0.40 -0.01 0.00 -1.05 0.00 0.00 32.46 31.00 1vhp n ARG 87 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1vhp n ALA 88 N -0.23 -0.99 -2.32 2.89 0.00 -1.26 -4.58 120.51 114.02 1vhp n ALA 88 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 1vhp n ALA 88 Cb 0.79 -0.67 0.01 0.00 0.00 0.00 0.00 19.45 19.58 1vhp n ALA 88 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vhp n GLU 89 N -2.57 0.57 -2.71 0.00 1.02 -1.26 -4.94 120.64 110.74 1vhp n GLU 89 Ca 0.01 -1.31 -0.08 0.00 -0.02 0.00 0.00 57.16 55.76 1vhp n GLU 89 Cb 0.48 0.30 0.11 0.00 -0.02 0.00 0.00 31.44 32.31 1vhp n GLU 89 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1vhp n ASP 90 N -0.52 -2.10 -4.15 1.62 5.68 -1.26 -5.10 116.55 110.72 1vhp n ASP 90 Ca -0.19 -3.03 -0.32 0.00 -0.50 0.00 0.00 54.79 50.74 1vhp n ASP 90 Cb 0.81 1.43 0.14 0.00 -1.14 0.00 0.00 41.12 42.36 1vhp n ASP 90 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1vhp n THR 91 N -0.16 0.00 -3.58 2.12 -1.04 -1.26 -4.82 114.28 105.54 1vhp n THR 91 Ca 0.01 -0.21 -0.07 0.00 -2.04 0.00 0.00 64.05 61.75 1vhp n THR 91 Cb 0.78 -0.45 -0.03 0.00 -1.82 0.00 0.00 70.33 68.81 1vhp n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vhp s ALA 92 N -2.16 -1.98 -0.01 2.41 0.00 -0.13 -4.34 121.76 115.56 1vhp s ALA 92 Ca 0.49 1.51 0.06 0.00 0.00 0.00 0.00 51.96 54.03 1vhp s ALA 92 Cb -0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 1vhp s ALA 92 CO 0.63 -0.47 -0.20 0.08 0.00 0.00 0.00 175.76 175.80 1vhp s VAL 93 N -1.93 1.62 0.01 0.00 1.01 0.25 0.21 120.40 121.56 1vhp s VAL 93 Ca 0.05 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1vhp s VAL 93 Cb -0.01 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1vhp s VAL 93 CO -0.04 0.42 -0.22 -0.31 0.00 0.00 0.00 175.10 174.95 1vhp s TYR 94 N -0.52 2.46 -0.17 5.22 2.02 -0.34 -0.65 117.35 125.36 1vhp s TYR 94 Ca 0.08 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.45 1vhp s TYR 94 Cb -0.08 -1.49 0.04 0.00 -0.40 0.00 0.00 41.96 40.03 1vhp s TYR 94 CO -0.00 0.13 -0.08 0.71 -1.57 0.00 0.00 175.55 174.73 1vhp s TYR 95 N -0.77 1.99 1.06 2.71 1.51 -1.09 0.14 117.35 122.88 1vhp s TYR 95 Ca 0.12 -1.24 -0.15 0.00 -1.01 0.00 0.00 57.07 54.78 1vhp s TYR 95 Cb -0.10 -1.45 0.24 0.00 -0.11 0.00 0.00 41.96 40.53 1vhp s TYR 95 CO 0.02 -0.66 0.54 0.00 -1.11 0.00 0.00 175.55 174.35 1vhp s ALA 97 N -2.07 -2.20 0.63 0.00 0.00 -0.02 -4.41 121.76 113.69 1vhp s ALA 97 Ca 0.42 1.94 0.05 0.00 0.00 0.00 0.00 51.96 54.37 1vhp s ALA 97 Cb -0.07 -0.70 0.10 0.00 0.00 0.00 0.00 23.12 22.44 1vhp s ALA 97 CO 0.35 -0.47 0.86 -0.98 0.00 0.00 0.00 175.76 175.53 1vhp s ARG 98 N -1.77 2.08 -0.16 0.00 1.04 -1.26 -0.69 118.95 118.19 1vhp s ARG 98 Ca 0.12 -1.37 0.06 0.00 -1.04 0.00 0.00 55.73 53.49 1vhp s ARG 98 Cb -0.01 -2.52 0.19 0.00 -2.04 0.00 0.00 34.95 30.57 1vhp s ARG 98 CO -0.04 -1.07 0.99 1.47 -0.04 0.00 0.00 175.30 176.62 1vhp n LEU 99 N -2.47 -0.70 0.00 -1.89 -0.00 -1.22 -4.35 117.00 106.37 1vhp n LEU 99 Ca 0.15 -2.04 0.00 0.00 -0.00 0.00 0.00 56.01 54.12 1vhp n LEU 99 Cb 0.61 0.54 0.00 0.00 -0.00 0.00 0.00 43.42 44.57 1vhp n LEU 99 CO 0.41 1.34 0.00 2.29 -0.00 0.00 0.00 177.39 181.43 1vhp n LYS 100 N -0.73 0.00 0.00 1.47 2.85 -1.21 -4.88 118.16 115.67 1vhp n LYS 100 Ca -0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.17 1vhp n LYS 100 Cb 0.68 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.06 1vhp n LYS 100 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1vhp n LYS 101 N -1.22 0.00 -0.21 -1.58 3.00 -1.26 -4.88 118.16 112.01 1vhp n LYS 101 Ca 0.00 0.00 0.31 0.00 -0.00 0.00 0.00 58.31 58.62 1vhp n LYS 101 Cb 0.00 0.00 0.68 0.00 0.00 0.00 0.00 35.03 35.71 1vhp n LYS 101 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1vhp h TYR 102 N 0.00 0.00 -3.59 5.64 5.03 -2.01 -2.52 116.97 119.53 1vhp h TYR 102 Ca 0.00 0.00 -0.75 0.00 2.58 0.00 0.00 58.73 60.56 1vhp h TYR 102 Cb 0.00 0.00 -0.31 0.00 1.55 0.00 0.00 36.73 37.97 1vhp h TYR 102 CO 0.00 0.00 -0.01 0.00 -1.32 0.00 0.00 178.16 176.83 1vhp s ALA 103 N -4.71 4.10 0.17 1.82 0.00 -1.26 -5.00 121.76 116.89 1vhp s ALA 103 Ca -0.04 -3.53 -0.20 0.00 0.00 0.00 0.00 51.96 48.19 1vhp s ALA 103 Cb 0.19 -3.13 0.05 0.00 0.00 0.00 0.00 23.12 20.23 1vhp s ALA 103 CO 0.65 -2.19 0.55 0.12 0.00 0.00 0.00 175.76 174.89 1vhp s PHE 104 N -0.52 -0.34 -0.08 0.00 2.19 -0.95 -3.29 117.98 115.00 1vhp s PHE 104 Ca 0.22 0.05 0.00 0.00 0.33 0.00 0.00 56.93 57.53 1vhp s PHE 104 Cb -0.12 0.47 0.00 0.00 -1.31 0.00 0.00 43.02 42.06 1vhp s PHE 104 CO -0.08 -0.87 0.00 -3.47 1.83 0.00 0.00 175.22 172.63 1vhp n ASP 105 N -0.35 -1.37 -0.55 6.13 -0.08 -1.26 -5.02 116.55 114.06 1vhp n ASP 105 Ca -0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 1vhp n ASP 105 Cb 0.64 -0.70 0.00 0.00 2.34 0.00 0.00 41.12 43.40 1vhp n ASP 105 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1vhp n TYR 106 N -3.92 0.00 -1.85 -0.67 4.01 -1.26 -5.07 117.16 108.39 1vhp n TYR 106 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1vhp n TYR 106 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 1vhp n TYR 106 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1vhp n TRP 107 N 0.00 -4.19 0.00 -0.72 7.02 -1.26 -4.44 117.44 113.85 1vhp n TRP 107 Ca 0.00 2.18 0.00 0.00 -1.02 0.00 0.00 57.50 58.66 1vhp n TRP 107 Cb 0.00 -3.24 0.00 0.00 -2.42 0.00 0.00 31.31 25.65 1vhp n TRP 107 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1vhp n GLY 108 N 0.41 -1.36 0.46 6.99 0.00 -1.26 -4.76 105.19 105.66 1vhp n GLY 108 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1vhp n GLY 108 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1vhp n GLN 109 N 0.00 0.00 0.00 1.61 -0.06 -1.26 -5.09 117.38 112.58 1vhp n GLN 109 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1vhp n GLN 109 Cb 0.00 -0.70 0.00 0.00 -4.06 0.00 0.00 30.24 25.48 1vhp n GLN 109 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1vhp n GLY 110 N 2.92 2.39 3.02 1.69 0.00 -1.26 -5.05 105.19 108.91 1vhp n GLY 110 Ca 0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 46.02 44.28 1vhp n GLY 110 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1vhp s THR 111 N -1.77 -0.86 0.76 2.61 -1.32 0.36 -4.76 115.64 110.67 1vhp s THR 111 Ca 0.00 -0.45 -0.12 0.00 -1.21 0.00 0.00 61.69 59.91 1vhp s THR 111 Cb 0.00 -0.14 -0.05 0.00 -1.51 0.00 0.00 72.50 70.80 1vhp s THR 111 CO 0.00 -0.13 -0.52 0.00 -2.21 0.00 0.00 174.62 171.76 1vhp n LEU 112 N 4.02 -2.30 -3.43 9.08 -0.00 -1.26 -1.20 117.00 121.92 1vhp n LEU 112 Ca 0.13 -0.05 0.01 0.00 -0.00 0.00 0.00 56.01 56.11 1vhp n LEU 112 Cb 0.55 -0.55 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 1vhp n LEU 112 CO 0.02 -2.36 0.42 -0.69 -0.00 0.00 0.00 177.39 174.77 1vhp s VAL 113 N -2.02 -0.73 0.32 1.47 1.01 0.56 -4.59 120.40 116.42 1vhp s VAL 113 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.20 1vhp s VAL 113 Cb 0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1vhp s VAL 113 CO 0.30 0.00 0.49 -0.89 0.00 0.00 0.00 175.10 175.00 1vhp s THR 114 N 2.72 4.88 -0.69 3.92 2.01 -0.99 -0.95 115.64 126.54 1vhp s THR 114 Ca -0.00 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.24 1vhp s THR 114 Cb -0.10 -3.75 0.18 0.00 0.01 0.00 0.00 72.50 68.83 1vhp s THR 114 CO -0.18 -0.40 0.52 -0.69 -0.69 0.00 0.00 174.62 173.18 1vhp s VAL 115 N -2.21 3.95 0.99 3.82 1.01 -1.26 -0.32 120.40 126.37 1vhp s VAL 115 Ca 0.40 -3.10 -0.21 0.00 0.00 0.00 0.00 61.98 59.07 1vhp s VAL 115 Cb -0.09 -3.54 -0.17 0.00 0.00 0.00 0.00 36.38 32.58 1vhp s VAL 115 CO 0.33 -0.93 -1.06 -0.24 0.00 0.00 0.00 175.10 173.21 1vhp n SER 116 N 3.30 -4.95 0.00 3.32 2.88 -1.26 -4.21 113.62 112.70 1vhp n SER 116 Ca 0.11 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1vhp n SER 116 Cb 0.38 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1vhp n SER 116 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57