#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhp s VAL 2 N 0.00 0.00 -0.30 2.62 0.11 -1.19 -4.32 120.40 117.32 1vhp s VAL 2 Ca 0.00 -0.02 -0.17 0.00 -2.93 0.00 0.00 61.98 58.86 1vhp s VAL 2 Cb 0.00 -1.03 0.17 0.00 -1.53 0.00 0.00 36.38 33.99 1vhp s VAL 2 CO 0.00 0.00 1.19 -1.58 -3.33 0.00 0.00 175.10 171.38 1vhp s GLN 3 N -3.10 0.07 0.30 1.54 0.74 -1.20 -4.97 119.66 113.03 1vhp s GLN 3 Ca 0.05 0.13 -0.05 0.00 0.05 0.00 0.00 55.36 55.54 1vhp s GLN 3 Cb -0.01 0.07 -0.01 0.00 1.10 0.00 0.00 33.01 34.17 1vhp s GLN 3 CO -0.09 -0.07 0.43 -0.48 -0.55 0.00 0.00 175.29 174.53 1vhp s LEU 4 N 2.95 0.83 -0.30 3.68 -0.00 -1.26 -1.22 118.68 123.36 1vhp s LEU 4 Ca -0.08 -1.31 -0.13 0.00 -0.00 0.00 0.00 54.13 52.61 1vhp s LEU 4 Cb -0.09 1.40 0.18 0.00 -0.00 0.00 0.00 46.19 47.68 1vhp s LEU 4 CO -0.08 -1.19 1.03 -0.69 -0.00 0.00 0.00 176.35 175.42 1vhp s VAL 5 N -3.49 -0.37 0.99 1.48 1.01 -1.08 -4.59 120.40 114.34 1vhp s VAL 5 Ca 0.29 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 62.02 1vhp s VAL 5 Cb 0.01 -1.00 -0.19 0.00 0.00 0.00 0.00 36.38 35.20 1vhp s VAL 5 CO 0.16 0.00 -1.38 -1.84 0.00 0.00 0.00 175.10 172.04 1vhp n GLU 6 N 5.31 0.00 0.00 2.72 0.00 -1.26 -1.09 120.64 126.32 1vhp n GLU 6 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.09 1vhp n GLU 6 Cb 0.53 -0.99 0.00 0.00 0.00 0.00 0.00 31.44 30.99 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 3.45 0.00 0.00 -1.84 2.88 0.54 -4.54 113.62 114.11 1vhp n SER 7 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1vhp n SER 7 Cb 0.71 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 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 -0.07 -0.79 0.00 0.46 0.00 -1.26 0.43 105.19 103.97 1vhp n GLY 8 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 1.35 3.72 -0.02 0.00 -1.24 -4.98 105.19 104.02 1vhp n GLY 9 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 2.12 0.82 -0.02 0.00 -1.26 -4.48 107.32 102.50 1vhp s GLY 10 Ca 0.00 0.74 -0.12 0.00 0.00 0.00 0.00 44.72 45.34 1vhp s GLY 10 CO 0.00 1.14 1.18 1.08 0.00 0.00 0.00 173.10 176.51 1vhp s LEU 11 N -5.55 2.49 -0.46 0.66 1.43 -1.26 -1.88 118.68 114.11 1vhp s LEU 11 Ca 0.71 0.77 0.06 0.00 -1.03 0.00 0.00 54.13 54.64 1vhp s LEU 11 Cb -0.26 -3.23 0.31 0.00 0.03 0.00 0.00 46.19 43.04 1vhp s LEU 11 CO 0.49 -1.96 1.08 1.33 0.23 0.00 0.00 176.35 177.52 1vhp n VAL 12 N -3.35 -0.01 -0.16 -1.59 0.24 -0.80 -4.17 118.33 108.49 1vhp n VAL 12 Ca 0.08 -1.62 -0.08 0.00 -2.04 0.00 0.00 64.34 60.68 1vhp n VAL 12 Cb 0.61 1.42 0.07 0.00 -1.47 0.00 0.00 33.84 34.47 1vhp n VAL 12 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1vhp n GLN 13 N 0.49 -1.34 0.00 7.34 7.27 -1.12 -2.68 117.38 127.34 1vhp n GLN 13 Ca 0.07 -0.37 0.00 0.00 0.07 0.00 0.00 57.00 56.77 1vhp n GLN 13 Cb 0.69 -0.62 0.00 0.00 2.41 0.00 0.00 30.24 32.73 1vhp n GLN 13 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1vhp n PRO 14 N -1.87 0.44 -0.02 3.69 -0.04 -1.20 -1.64 135.00 134.36 1vhp n PRO 14 Ca 0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1vhp n PRO 14 Cb 0.15 -1.20 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 1vhp n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vhp n GLY 15 N 0.25 -0.23 1.15 0.55 0.00 -1.15 -4.76 105.19 101.00 1vhp n GLY 15 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 2.65 -3.78 0.00 -0.02 0.00 -0.65 -1.56 105.19 101.83 1vhp n GLY 16 Ca -0.07 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1vhp n GLY 16 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vhp n SER 17 N -2.17 0.00 -4.74 1.61 7.64 -0.91 -4.03 113.62 111.02 1vhp n SER 17 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1vhp n SER 17 Cb 0.32 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.44 1vhp n SER 17 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1vhp s LEU 18 N 0.00 2.39 -0.25 -3.43 0.05 -0.64 -4.80 118.68 111.99 1vhp s LEU 18 Ca 0.00 -1.61 -0.02 0.00 0.05 0.00 0.00 54.13 52.55 1vhp s LEU 18 Cb 0.00 -0.76 0.11 0.00 -2.05 0.00 0.00 46.19 43.49 1vhp s LEU 18 CO 0.00 -0.79 0.25 -0.60 -0.55 0.00 0.00 176.35 174.66 1vhp s ARG 19 N -3.86 0.25 0.00 1.48 3.52 -1.24 -2.44 118.95 116.66 1vhp s ARG 19 Ca 0.10 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.70 1vhp s ARG 19 Cb 0.03 -0.94 0.00 0.00 -1.56 0.00 0.00 34.95 32.48 1vhp s ARG 19 CO 0.05 -0.85 0.00 1.28 -0.81 0.00 0.00 175.30 174.97 1vhp n LEU 20 N 5.31 0.00 0.00 -0.88 4.32 -1.02 -4.42 117.00 120.31 1vhp n LEU 20 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 1vhp n LEU 20 Cb 0.47 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 1vhp n LEU 20 CO 0.04 0.00 0.00 -1.54 -1.22 0.00 0.00 177.39 174.67 1vhp n SER 21 N 0.00 0.00 -4.03 -1.43 3.41 0.17 -2.30 113.62 109.44 1vhp n SER 21 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 1vhp n SER 21 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 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 4.43 -2.84 0.00 0.00 0.00 -0.25 -2.69 120.51 119.17 1vhp n ALA 23 Ca -0.09 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1vhp n ALA 23 Cb 0.42 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -3.88 0.00 -3.40 0.00 0.00 0.24 -2.64 120.51 110.84 1vhp n ALA 24 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.39 1vhp n ALA 24 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 1vhp n ALA 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vhp s SER 25 N 0.00 0.24 -1.38 0.00 0.15 -0.35 -3.28 113.70 109.08 1vhp s SER 25 Ca 0.00 -1.14 -0.09 0.00 0.70 0.00 0.00 55.95 55.42 1vhp s SER 25 Cb 0.00 0.72 0.06 0.00 -1.71 0.00 0.00 66.02 65.10 1vhp s SER 25 CO 0.00 -1.41 0.57 0.61 1.20 0.00 0.00 173.24 174.21 1vhp n GLY 26 N -0.50 -0.49 0.00 9.45 0.00 -1.26 -3.28 105.19 109.11 1vhp n GLY 26 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.15 0.00 -1.77 1.61 1.16 -1.26 -3.15 117.46 109.90 1vhp n PHE 27 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.55 1vhp n PHE 27 Cb 0.56 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.43 1vhp n PHE 27 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1vhp n THR 28 N 0.00 0.00 0.00 1.97 -2.24 -1.26 -4.25 114.28 108.50 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 12.18 -1.01 -0.01 4.78 3.01 -1.26 -4.47 117.46 130.69 1vhp n PHE 29 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.39 1vhp n PHE 29 Cb 0.00 0.23 -0.13 0.00 -0.01 0.00 0.00 39.48 39.58 1vhp n PHE 29 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1vhp h SER 30 N 0.00 0.00 -0.57 4.37 0.87 -1.86 -1.23 113.55 115.13 1vhp h SER 30 Ca 0.00 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 1vhp h SER 30 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 1vhp h SER 30 CO 0.00 0.93 0.24 -1.28 -0.53 0.00 0.00 176.83 176.18 1vhp h SER 31 N 0.00 0.27 -0.29 6.23 0.87 -1.91 -1.68 113.55 117.05 1vhp h SER 31 Ca -0.24 0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.26 1vhp h SER 31 Cb 1.92 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 63.84 1vhp h SER 31 CO 0.08 0.18 -0.06 -1.22 -0.53 0.00 0.00 176.83 175.27 1vhp n TYR 32 N -4.96 0.94 -0.65 2.24 4.02 -1.25 -5.02 117.16 112.48 1vhp n TYR 32 Ca 0.07 -1.35 0.08 0.00 -0.01 0.00 0.00 57.90 56.69 1vhp n TYR 32 Cb 0.22 -0.41 -0.02 0.00 -0.02 0.00 0.00 39.34 39.11 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 -0.98 -2.74 0.00 -0.72 0.00 -0.47 -4.82 120.51 110.78 1vhp n ALA 33 Ca 0.28 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1vhp n ALA 33 Cb 0.96 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.21 0.00 -4.39 0.00 0.00 -0.60 -4.62 117.12 105.29 1vhp n MET 34 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.44 1vhp n MET 34 Cb 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.70 1vhp n MET 34 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1vhp s SER 35 N 0.00 4.11 -0.18 6.12 0.01 0.16 -1.27 113.70 122.64 1vhp s SER 35 Ca 0.00 -1.19 -0.31 0.00 1.31 0.00 0.00 55.95 55.76 1vhp s SER 35 Cb 0.00 -0.45 0.14 0.00 0.21 0.00 0.00 66.02 65.93 1vhp s SER 35 CO 0.00 -0.43 1.12 -1.66 0.41 0.00 0.00 173.24 172.69 1vhp s TRP 36 N -2.63 -0.24 0.00 2.43 1.48 -0.83 -1.00 118.94 118.16 1vhp s TRP 36 Ca 0.37 0.34 0.00 0.00 -1.06 0.00 0.00 56.10 55.75 1vhp s TRP 36 Cb 0.06 0.48 0.00 0.00 -1.16 0.00 0.00 33.47 32.85 1vhp s TRP 36 CO 0.20 -0.25 0.00 0.28 -4.06 0.00 0.00 176.95 173.11 1vhp n VAL 37 N 0.43 0.00 0.00 -0.66 0.31 -0.30 -3.15 118.33 114.97 1vhp n VAL 37 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 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 -0.05 0.00 0.00 5.55 3.00 -0.83 -2.89 116.66 121.44 1vhp n ARG 38 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1vhp n ARG 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1vhp n ARG 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1vhp n GLN 39 N 0.00 -0.44 0.00 5.56 6.02 0.15 -4.00 117.38 124.67 1vhp n GLN 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1vhp n GLN 39 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1vhp n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1vhp n ALA 40 N -0.67 0.00 -2.56 -1.58 0.00 -1.21 -1.14 120.51 113.35 1vhp n ALA 40 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1vhp n ALA 40 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1vhp n ALA 40 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1vhp s PRO 41 N -2.00 3.87 -1.02 0.00 0.04 -1.26 -4.16 135.00 130.48 1vhp s PRO 41 Ca 0.00 -1.83 0.00 0.00 0.04 0.00 0.00 61.00 59.21 1vhp s PRO 41 Cb 0.00 -5.50 0.00 0.00 0.04 0.00 0.00 34.50 29.04 1vhp s PRO 41 CO 0.00 -2.31 0.00 0.41 0.04 0.00 0.00 177.00 175.14 1vhp n GLY 42 N 5.66 0.59 1.60 0.56 0.00 -1.26 -4.68 105.19 107.66 1vhp n GLY 42 Ca 0.46 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.56 1vhp n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vhp n LYS 43 N -1.94 4.34 -0.92 1.61 3.00 -1.26 -5.05 118.16 117.94 1vhp n LYS 43 Ca -0.11 -3.08 0.11 0.00 -0.00 0.00 0.00 58.31 55.24 1vhp n LYS 43 Cb 0.40 -2.15 -0.06 0.00 0.00 0.00 0.00 35.03 33.22 1vhp n LYS 43 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1vhp n GLU 44 N 0.29 -2.09 -0.13 1.64 0.28 -1.26 -4.86 120.64 114.52 1vhp n GLU 44 Ca 0.26 1.66 -0.05 0.00 -0.16 0.00 0.00 57.16 58.87 1vhp n GLU 44 Cb 1.11 -2.45 0.05 0.00 1.43 0.00 0.00 31.44 31.58 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 -3.55 -0.82 0.00 3.44 1.74 -1.26 -3.78 116.66 112.43 1vhp n ARG 45 Ca -0.05 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.78 1vhp n ARG 45 Cb 0.43 -0.45 0.00 0.00 -1.02 0.00 0.00 32.46 31.43 1vhp n ARG 45 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1vhp n GLU 46 N -1.45 0.00 -1.68 5.56 2.13 -1.23 -4.49 120.64 119.48 1vhp n GLU 46 Ca 0.02 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.55 1vhp n GLU 46 Cb 0.10 0.00 0.18 0.00 0.27 0.00 0.00 31.44 31.99 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 1.91 0.00 6.31 -1.16 -1.26 -1.97 121.20 125.03 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 -2.85 0.00 0.00 0.61 0.00 0.00 42.46 40.22 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 -3.95 0.00 -3.62 4.00 0.31 -1.24 -3.56 118.33 110.27 1vhp n VAL 48 Ca 0.13 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.44 1vhp n VAL 48 Cb 0.60 -0.05 -0.02 0.00 -0.91 0.00 0.00 33.84 33.46 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 -2.22 -0.04 0.33 4.52 0.01 -1.19 -1.30 113.70 113.81 1vhp s SER 49 Ca 0.00 -0.01 -0.18 0.00 1.31 0.00 0.00 55.95 57.07 1vhp s SER 49 Cb 0.00 0.05 0.04 0.00 0.21 0.00 0.00 66.02 66.32 1vhp s SER 49 CO 0.00 -0.08 0.78 0.00 0.41 0.00 0.00 173.24 174.35 1vhp s ALA 50 N -2.15 -0.99 -0.33 1.44 0.00 -1.11 -1.96 121.76 116.67 1vhp s ALA 50 Ca 0.12 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.58 1vhp s ALA 50 Cb -0.00 0.74 0.17 0.00 0.00 0.00 0.00 23.12 24.03 1vhp s ALA 50 CO -0.03 -1.01 0.49 0.54 0.00 0.00 0.00 175.76 175.74 1vhp s VAL 51 N -2.93 -0.73 0.31 0.00 0.11 -0.39 -1.83 120.40 114.93 1vhp s VAL 51 Ca 0.14 -0.30 0.01 0.00 -2.93 0.00 0.00 61.98 58.90 1vhp s VAL 51 Cb -0.05 -0.72 -0.00 0.00 -1.53 0.00 0.00 36.38 34.07 1vhp s VAL 51 CO 0.09 -0.22 0.05 -1.54 -3.33 0.00 0.00 175.10 170.15 1vhp n SER 52 N 4.97 2.07 -3.21 3.54 3.41 -0.88 -1.56 113.62 121.96 1vhp n SER 52 Ca 0.06 -2.46 -0.06 0.00 -0.26 0.00 0.00 58.87 56.14 1vhp n SER 52 Cb 0.51 0.45 0.01 0.00 -0.26 0.00 0.00 64.21 64.92 1vhp n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vhp n GLY 53 N 0.63 -1.24 2.42 5.00 0.00 -1.26 0.15 105.19 110.90 1vhp n GLY 53 Ca -0.09 0.50 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.05 -4.70 0.00 1.61 3.41 -1.26 -0.16 113.62 110.47 1vhp n SER 54 Ca -0.06 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1vhp n SER 54 Cb 0.54 -4.00 0.00 0.00 -0.26 0.00 0.00 64.21 60.50 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 -0.15 2.90 0.39 5.00 0.00 -0.26 -4.88 105.19 108.19 1vhp n GLY 55 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.38 -2.32 -0.02 0.00 -0.09 -3.38 103.07 96.88 1vhp h GLY 56 Ca 0.00 0.58 -0.56 0.00 0.00 0.00 0.00 47.33 47.35 1vhp h GLY 56 CO 0.00 -0.14 0.26 1.44 0.00 0.00 0.00 176.54 178.10 1vhp n SER 57 N -5.40 1.17 -3.60 0.19 7.64 0.12 -4.84 113.62 108.90 1vhp n SER 57 Ca 0.04 0.78 -0.13 0.00 1.01 0.00 0.00 58.87 60.56 1vhp n SER 57 Cb 0.35 -1.46 -0.07 0.00 -1.01 0.00 0.00 64.21 62.03 1vhp n SER 57 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1vhp s THR 58 N -1.54 0.00 0.21 0.44 -4.23 -1.26 -2.07 115.64 107.19 1vhp s THR 58 Ca 0.78 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 61.40 1vhp s THR 58 Cb -0.39 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.41 1vhp s THR 58 CO 0.45 0.00 -0.16 -0.47 -0.54 0.00 0.00 174.62 173.89 1vhp s TYR 59 N -0.14 2.45 -0.42 3.99 5.04 -0.76 -4.79 117.35 122.72 1vhp s TYR 59 Ca -0.02 -0.30 0.08 0.00 -2.44 0.00 0.00 57.07 54.40 1vhp s TYR 59 Cb -0.03 -1.17 0.29 0.00 0.35 0.00 0.00 41.96 41.40 1vhp s TYR 59 CO 0.01 0.55 0.79 0.66 -1.34 0.00 0.00 175.55 176.22 1vhp n TYR 60 N -0.05 -1.35 0.00 4.97 4.02 -1.23 -2.73 117.16 120.79 1vhp n TYR 60 Ca -0.10 -2.97 0.00 0.00 -0.01 0.00 0.00 57.90 54.82 1vhp n TYR 60 Cb 0.57 0.44 0.00 0.00 -0.02 0.00 0.00 39.34 40.33 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 0.89 0.00 0.09 -0.72 0.00 -0.42 -3.60 120.51 116.75 1vhp n ALA 61 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1vhp n ALA 61 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1vhp n ALA 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1vhp n ASP 62 N 3.35 -1.56 -0.65 0.00 8.00 -1.26 -4.60 116.55 119.82 1vhp n ASP 62 Ca 0.00 0.53 0.03 0.00 0.71 0.00 0.00 54.79 56.05 1vhp n ASP 62 Cb 0.00 1.70 0.10 0.00 -0.02 0.00 0.00 41.12 42.90 1vhp n ASP 62 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1vhp n SER 63 N -2.90 1.76 -1.85 -2.24 7.64 -1.26 -3.68 113.62 111.08 1vhp n SER 63 Ca 0.00 -2.14 -0.08 0.00 1.01 0.00 0.00 58.87 57.66 1vhp n SER 63 Cb 0.00 -0.35 0.07 0.00 -1.01 0.00 0.00 64.21 62.91 1vhp n SER 63 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1vhp n VAL 64 N 0.15 1.86 0.05 0.44 0.24 -1.24 -4.80 118.33 115.03 1vhp n VAL 64 Ca 0.07 -3.32 0.21 0.00 -2.04 0.00 0.00 64.34 59.27 1vhp n VAL 64 Cb 0.35 -0.11 0.62 0.00 -1.47 0.00 0.00 33.84 33.24 1vhp n VAL 64 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1vhp h LYS 65 N 1.89 0.00 0.00 7.34 2.10 -1.70 -0.08 116.57 126.13 1vhp h LYS 65 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1vhp h LYS 65 Cb 1.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.73 1vhp h LYS 65 CO 0.38 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.24 1vhp n GLY 66 N -1.52 -0.20 0.57 0.07 0.00 -1.26 -4.71 105.19 98.13 1vhp n GLY 66 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.08 2.87 -4.44 1.61 0.63 -0.12 -4.99 116.66 112.15 1vhp n ARG 67 Ca 0.00 -2.06 -0.22 0.00 -0.92 0.00 0.00 57.85 54.65 1vhp n ARG 67 Cb 0.24 -1.29 -0.10 0.00 0.45 0.00 0.00 32.46 31.75 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 -1.21 2.08 -0.08 -0.14 0.40 -0.73 -4.30 117.98 114.00 1vhp s PHE 68 Ca 0.22 -0.48 -0.04 0.00 -0.60 0.00 0.00 56.93 56.03 1vhp s PHE 68 Cb 0.13 -1.01 0.04 0.00 0.51 0.00 0.00 43.02 42.69 1vhp s PHE 68 CO 0.13 0.53 0.18 -0.08 0.70 0.00 0.00 175.22 176.67 1vhp s THR 69 N -2.74 -0.08 -1.37 0.64 -1.32 -1.04 -5.00 115.64 104.74 1vhp s THR 69 Ca 0.28 0.19 -0.14 0.00 -1.21 0.00 0.00 61.69 60.81 1vhp s THR 69 Cb -0.01 -0.29 0.08 0.00 -1.51 0.00 0.00 72.50 70.77 1vhp s THR 69 CO 0.12 0.08 1.98 0.00 -2.21 0.00 0.00 174.62 174.59 1vhp n ILE 70 N 4.37 3.80 -1.48 5.08 0.13 -1.26 -2.41 119.36 127.58 1vhp n ILE 70 Ca -0.23 -3.67 -0.37 0.00 -1.10 0.00 0.00 62.75 57.38 1vhp n ILE 70 Cb 0.52 -2.49 0.07 0.00 -0.84 0.00 0.00 39.64 36.90 1vhp n ILE 70 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 1vhp n SER 71 N 6.18 0.55 -3.61 9.51 7.64 0.48 -4.78 113.62 129.58 1vhp n SER 71 Ca 0.48 0.72 -0.16 0.00 1.01 0.00 0.00 58.87 60.92 1vhp n SER 71 Cb 0.40 -1.39 -0.07 0.00 -1.01 0.00 0.00 64.21 62.14 1vhp n SER 71 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1vhp s ARG 72 N -3.06 0.91 -0.34 1.43 3.52 -1.26 0.45 118.95 120.61 1vhp s ARG 72 Ca 0.75 0.03 -0.00 0.00 -0.13 0.00 0.00 55.73 56.38 1vhp s ARG 72 Cb -0.38 0.42 0.11 0.00 -1.56 0.00 0.00 34.95 33.55 1vhp s ARG 72 CO 0.49 -0.28 0.13 -0.51 -0.81 0.00 0.00 175.30 174.31 1vhp s ASP 73 N -1.34 3.92 0.00 -2.12 1.11 0.10 -4.75 116.67 113.60 1vhp s ASP 73 Ca -0.11 -1.88 0.00 0.00 0.18 0.00 0.00 52.55 50.74 1vhp s ASP 73 Cb -0.02 -0.89 0.00 0.00 1.07 0.00 0.00 42.92 43.08 1vhp s ASP 73 CO 0.07 -0.38 0.90 0.59 1.18 0.00 0.00 175.17 177.53 1vhp n ASN 74 N 4.53 0.00 -1.65 0.27 4.13 -1.26 -2.85 115.26 118.44 1vhp n ASN 74 Ca 0.01 0.90 -0.05 0.00 1.68 0.00 0.00 54.58 57.13 1vhp n ASN 74 Cb 0.40 -0.40 -0.01 0.00 -1.54 0.00 0.00 39.78 38.22 1vhp n ASN 74 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1vhp n SER 75 N -1.89 5.56 0.00 6.41 2.88 -1.26 -3.34 113.62 121.99 1vhp n SER 75 Ca 0.00 -2.55 0.00 0.00 -1.33 0.00 0.00 58.87 54.99 1vhp n SER 75 Cb 0.00 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 1vhp n SER 75 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1vhp n LYS 76 N 1.39 3.18 -1.01 -1.46 4.01 -1.13 -5.02 118.16 118.12 1vhp n LYS 76 Ca 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 1vhp n LYS 76 Cb 0.56 -0.30 0.00 0.00 -0.51 0.00 0.00 35.03 34.78 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 -0.48 -2.23 -3.58 4.39 3.02 -1.21 -4.98 115.26 110.18 1vhp n ASN 77 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 1vhp n ASN 77 Cb 0.00 -0.43 -0.01 0.00 -0.61 0.00 0.00 39.78 38.74 1vhp n ASN 77 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1vhp s THR 78 N -2.00 0.00 0.16 3.41 -1.32 -1.14 0.82 115.64 115.57 1vhp s THR 78 Ca 0.00 -0.01 0.06 0.00 -1.21 0.00 0.00 61.69 60.53 1vhp s THR 78 Cb 0.00 -1.69 -0.04 0.00 -1.51 0.00 0.00 72.50 69.25 1vhp s THR 78 CO 0.00 0.00 -0.13 -1.48 -2.21 0.00 0.00 174.62 170.80 1vhp s LEU 79 N -2.70 2.49 0.42 9.08 2.34 -1.09 0.02 118.68 129.24 1vhp s LEU 79 Ca 0.14 -0.94 0.04 0.00 0.06 0.00 0.00 54.13 53.43 1vhp s LEU 79 Cb 0.05 -0.54 -0.05 0.00 -0.56 0.00 0.00 46.19 45.09 1vhp s LEU 79 CO -0.05 -0.20 0.03 -0.31 -1.06 0.00 0.00 176.35 174.75 1vhp s TYR 80 N -2.77 2.15 -0.05 3.48 1.51 0.17 -0.64 117.35 121.21 1vhp s TYR 80 Ca 0.16 -0.87 0.00 0.00 -1.01 0.00 0.00 57.07 55.35 1vhp s TYR 80 Cb -0.01 -1.57 0.02 0.00 -0.11 0.00 0.00 41.96 40.29 1vhp s TYR 80 CO 0.04 0.23 -0.03 -0.51 -1.11 0.00 0.00 175.55 174.16 1vhp s LEU 81 N -3.70 1.13 -0.46 -1.29 1.43 -0.97 0.18 118.68 114.99 1vhp s LEU 81 Ca 0.26 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 1vhp s LEU 81 Cb 0.07 -0.46 0.08 0.00 0.03 0.00 0.00 46.19 45.91 1vhp s LEU 81 CO 0.13 -0.09 0.36 -1.10 0.23 0.00 0.00 176.35 175.87 1vhp s GLN 82 N 1.23 2.82 -0.16 1.70 -0.21 -1.01 -2.44 119.66 121.58 1vhp s GLN 82 Ca -0.06 -1.45 0.01 0.00 0.02 0.00 0.00 55.36 53.87 1vhp s GLN 82 Cb -0.14 -4.02 0.02 0.00 1.00 0.00 0.00 33.01 29.88 1vhp s GLN 82 CO -0.02 -1.04 -0.16 0.00 -2.12 0.00 0.00 175.29 171.95 1vhp s MET 83 N 1.55 2.54 0.00 2.91 0.23 -1.02 -2.49 119.30 123.02 1vhp s MET 83 Ca 0.04 -0.68 0.00 0.00 -1.03 0.00 0.00 55.69 54.01 1vhp s MET 83 Cb -0.25 -2.31 0.00 0.00 -1.53 0.00 0.00 34.83 30.75 1vhp s MET 83 CO 0.04 -0.24 0.00 0.27 -2.03 0.00 0.00 175.02 173.06 1vhp n ASN 84 N 4.71 1.66 0.00 -1.18 0.23 -1.26 -1.63 115.26 117.78 1vhp n ASN 84 Ca -0.18 -0.02 0.00 0.00 -0.53 0.00 0.00 54.58 53.84 1vhp n ASN 84 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 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 -0.03 -0.49 -4.01 0.53 2.88 -0.60 -4.66 113.62 107.23 1vhp n SER 85 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1vhp n SER 85 Cb 0.00 -1.16 0.21 0.00 -0.75 0.00 0.00 64.21 62.51 1vhp n SER 85 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1vhp s LEU 86 N 0.00 1.89 -0.06 2.46 1.02 -1.26 -4.75 118.68 117.99 1vhp s LEU 86 Ca 0.00 0.42 -0.30 0.00 0.02 0.00 0.00 54.13 54.27 1vhp s LEU 86 Cb 0.00 -2.35 0.08 0.00 0.02 0.00 0.00 46.19 43.95 1vhp s LEU 86 CO 0.00 -3.29 0.75 0.00 0.02 0.00 0.00 176.35 173.84 1vhp s ARG 87 N -5.69 0.96 0.64 1.70 3.03 -1.09 -2.91 118.95 115.59 1vhp s ARG 87 Ca 0.73 0.15 0.25 0.00 2.03 0.00 0.00 55.73 58.89 1vhp s ARG 87 Cb -0.06 0.45 1.32 0.00 -1.03 0.00 0.00 34.95 35.63 1vhp s ARG 87 CO 0.54 -0.32 1.75 0.00 -1.13 0.00 0.00 175.30 176.14 1vhp h ALA 88 N 2.78 1.77 -0.04 7.88 0.00 -1.76 0.37 119.26 130.26 1vhp h ALA 88 Ca -0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1vhp h ALA 88 Cb 1.16 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1vhp h ALA 88 CO 0.37 -0.62 0.00 -1.91 0.00 0.00 0.00 179.25 177.09 1vhp n GLU 89 N -3.09 1.26 -2.66 0.00 2.13 -1.26 -4.21 120.64 112.81 1vhp n GLU 89 Ca 0.03 -0.22 -0.03 0.00 0.66 0.00 0.00 57.16 57.60 1vhp n GLU 89 Cb 0.62 -1.53 0.06 0.00 0.27 0.00 0.00 31.44 30.86 1vhp n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1vhp n ASP 90 N 0.06 -1.16 -4.31 4.31 8.00 0.13 -5.14 116.55 118.44 1vhp n ASP 90 Ca 0.02 -1.74 -0.36 0.00 0.71 0.00 0.00 54.79 53.42 1vhp n ASP 90 Cb 0.33 1.08 0.05 0.00 -0.02 0.00 0.00 41.12 42.56 1vhp n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1vhp n THR 91 N 0.09 0.79 -4.32 -3.53 -1.04 -1.25 -4.67 114.28 100.36 1vhp n THR 91 Ca -0.15 -0.42 -0.17 0.00 -2.04 0.00 0.00 64.05 61.28 1vhp n THR 91 Cb 0.71 -0.40 -0.10 0.00 -1.82 0.00 0.00 70.33 68.73 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 -2.00 1.73 -0.01 2.41 0.00 -1.12 -4.17 121.76 118.59 1vhp s ALA 92 Ca 0.57 -1.83 0.01 0.00 0.00 0.00 0.00 51.96 50.71 1vhp s ALA 92 Cb -0.33 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.65 1vhp s ALA 92 CO 0.66 -0.39 -0.02 0.08 0.00 0.00 0.00 175.76 176.09 1vhp s VAL 93 N -3.65 0.21 0.19 0.00 1.01 -0.29 -1.40 120.40 116.46 1vhp s VAL 93 Ca 0.34 -0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.37 1vhp s VAL 93 Cb 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.19 1vhp s VAL 93 CO 0.11 0.09 -0.19 -0.31 0.00 0.00 0.00 175.10 174.81 1vhp s TYR 94 N 0.34 1.93 -0.11 5.22 2.02 -0.93 0.30 117.35 126.13 1vhp s TYR 94 Ca -0.03 -0.45 -0.03 0.00 -0.37 0.00 0.00 57.07 56.19 1vhp s TYR 94 Cb -0.06 -0.94 0.05 0.00 -0.40 0.00 0.00 41.96 40.61 1vhp s TYR 94 CO -0.01 0.40 0.06 0.71 -1.57 0.00 0.00 175.55 175.15 1vhp s TYR 95 N -2.14 0.29 1.13 2.71 1.51 -1.14 0.34 117.35 120.05 1vhp s TYR 95 Ca 0.19 -0.14 -0.18 0.00 -1.01 0.00 0.00 57.07 55.93 1vhp s TYR 95 Cb -0.05 -0.66 0.16 0.00 -0.11 0.00 0.00 41.96 41.30 1vhp s TYR 95 CO 0.08 -0.38 0.23 0.00 -1.11 0.00 0.00 175.55 174.37 1vhp s ALA 97 N -2.17 -2.13 0.41 0.00 0.00 -0.17 -4.50 121.76 113.20 1vhp s ALA 97 Ca 0.51 1.82 0.08 0.00 0.00 0.00 0.00 51.96 54.37 1vhp s ALA 97 Cb -0.10 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.28 1vhp s ALA 97 CO 0.55 -0.44 0.56 -0.98 0.00 0.00 0.00 175.76 175.45 1vhp s ARG 98 N -1.72 2.86 0.00 0.00 1.04 -1.26 -0.67 118.95 119.19 1vhp s ARG 98 Ca 0.10 -1.21 0.00 0.00 -1.04 0.00 0.00 55.73 53.58 1vhp s ARG 98 Cb -0.01 -2.76 0.00 0.00 -2.04 0.00 0.00 34.95 30.14 1vhp s ARG 98 CO -0.05 -0.24 0.00 1.47 -0.04 0.00 0.00 175.30 176.44 1vhp n LEU 99 N -1.84 0.00 0.00 -1.89 -0.00 -1.16 -4.58 117.00 107.54 1vhp n LEU 99 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1vhp n LEU 99 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1vhp n LEU 99 CO 0.39 0.00 0.00 2.29 -0.00 0.00 0.00 177.39 180.07 1vhp n LYS 100 N 0.00 0.00 -0.01 1.47 -0.00 -1.26 -4.50 118.16 113.86 1vhp n LYS 100 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1vhp n LYS 100 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1vhp n LYS 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1vhp n LYS 101 N 0.00 0.00 0.00 -1.58 3.00 -1.26 -4.85 118.16 113.47 1vhp n LYS 101 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1vhp n LYS 101 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1vhp n LYS 101 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1vhp n TYR 102 N 2.12 0.00 -3.48 5.64 4.19 -1.26 -4.88 117.16 119.49 1vhp n TYR 102 Ca 0.00 0.00 -0.29 0.00 3.31 0.00 0.00 57.90 60.92 1vhp n TYR 102 Cb 0.00 0.00 -0.13 0.00 0.49 0.00 0.00 39.34 39.70 1vhp n TYR 102 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1vhp s ALA 103 N -1.93 0.81 0.27 2.98 0.00 -1.26 -4.88 121.76 117.76 1vhp s ALA 103 Ca 0.00 -1.65 -0.19 0.00 0.00 0.00 0.00 51.96 50.12 1vhp s ALA 103 Cb 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.58 1vhp s ALA 103 CO 0.00 -2.00 0.67 0.12 0.00 0.00 0.00 175.76 174.54 1vhp s PHE 104 N 1.33 -0.06 -0.26 0.00 5.36 -1.26 -2.97 117.98 120.13 1vhp s PHE 104 Ca 0.16 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 1vhp s PHE 104 Cb -0.21 0.59 0.00 0.00 -0.34 0.00 0.00 43.02 43.06 1vhp s PHE 104 CO -0.08 -1.19 0.00 -3.47 -1.46 0.00 0.00 175.22 169.02 1vhp n ASP 105 N -0.46 -1.72 -1.13 6.13 -0.08 -1.26 -5.01 116.55 113.02 1vhp n ASP 105 Ca -0.03 -0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1vhp n ASP 105 Cb 0.60 -1.13 0.00 0.00 2.34 0.00 0.00 41.12 42.93 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 -3.99 0.00 -1.90 -0.67 4.01 -1.26 -5.06 117.16 108.29 1vhp n TYR 106 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1vhp n TYR 106 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 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 -3.08 -2.67 -0.72 7.02 -1.26 -4.43 117.44 112.29 1vhp n TRP 107 Ca 0.00 1.86 -0.05 0.00 -1.02 0.00 0.00 57.50 58.29 1vhp n TRP 107 Cb 0.00 -2.46 0.07 0.00 -2.42 0.00 0.00 31.31 26.50 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 1.80 -1.60 1.90 6.99 0.00 -1.26 -4.71 105.19 108.31 1vhp n GLY 108 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 46.02 47.00 1vhp n GLY 108 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vhp n GLN 109 N 1.70 0.00 0.00 1.61 3.00 -1.26 -5.09 117.38 117.34 1vhp n GLN 109 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1vhp n GLN 109 Cb 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 30.24 30.90 1vhp n GLN 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1vhp n GLY 110 N 1.70 3.44 0.00 1.08 0.00 -1.26 -5.05 105.19 105.10 1vhp n GLY 110 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1vhp n GLY 110 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1vhp n THR 111 N -0.96 0.00 -3.10 2.61 5.66 0.15 -4.79 114.28 113.85 1vhp n THR 111 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1vhp n THR 111 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1vhp n THR 111 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1vhp n LEU 112 N 0.00 0.00 -3.49 1.09 -0.00 -1.26 -2.18 117.00 111.16 1vhp n LEU 112 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 1vhp n LEU 112 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1vhp n LEU 112 CO 0.00 0.00 0.01 0.68 -0.00 0.00 0.00 177.39 178.08 1vhp s VAL 113 N -3.00 -0.66 -0.48 1.47 -7.23 -0.49 -3.61 120.40 106.39 1vhp s VAL 113 Ca 0.00 0.05 -0.18 0.00 -1.81 0.00 0.00 61.98 60.04 1vhp s VAL 113 Cb 0.00 -0.76 0.05 0.00 0.56 0.00 0.00 36.38 36.23 1vhp s VAL 113 CO 0.00 -0.02 0.53 -0.89 -0.31 0.00 0.00 175.10 174.41 1vhp s THR 114 N 2.61 5.01 0.38 5.32 2.01 -0.79 -2.81 115.64 127.37 1vhp s THR 114 Ca 0.06 -0.58 -0.23 0.00 0.31 0.00 0.00 61.69 61.25 1vhp s THR 114 Cb -0.14 -4.19 -0.14 0.00 0.01 0.00 0.00 72.50 68.04 1vhp s THR 114 CO -0.15 -0.65 0.52 1.33 -0.69 0.00 0.00 174.62 174.98 1vhp n VAL 115 N 5.48 1.66 0.00 3.82 0.24 -1.26 -1.90 118.33 126.38 1vhp n VAL 115 Ca -0.08 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1vhp n VAL 115 Cb 0.45 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1vhp n VAL 115 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1vhp n SER 116 N 1.49 0.00 0.00 -1.34 2.88 -1.26 -4.53 113.62 110.86 1vhp n SER 116 Ca 0.12 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.70 1vhp n SER 116 Cb 0.37 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 64.08 1vhp n SER 116 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57