#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhx s LEU 1 N 0.00 4.53 0.07 1.04 1.43 -1.26 -3.54 118.68 120.96 1vhx s LEU 1 Ca 0.00 1.80 0.02 0.00 -1.03 0.00 0.00 54.13 54.93 1vhx s LEU 1 Cb 0.00 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 1vhx s LEU 1 CO 0.00 0.10 -0.08 -0.13 0.23 0.00 0.00 176.35 176.47 1vhx s ARG 2 N -1.46 0.71 -0.21 1.70 0.52 0.12 -4.95 118.95 115.38 1vhx s ARG 2 Ca 0.42 -1.04 -0.10 0.00 -0.52 0.00 0.00 55.73 54.49 1vhx s ARG 2 Cb -0.23 -0.34 -0.05 0.00 0.52 0.00 0.00 34.95 34.85 1vhx s ARG 2 CO 0.28 0.04 0.13 0.42 0.02 0.00 0.00 175.30 176.19 1vhx s ILE 3 N -2.33 5.33 0.03 1.52 1.01 -1.26 -2.31 121.20 123.19 1vhx s ILE 3 Ca 0.01 0.16 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 1vhx s ILE 3 Cb -0.04 -3.45 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 1vhx s ILE 3 CO -0.01 0.42 0.57 -0.22 0.00 0.00 0.00 174.94 175.69 1vhx s LEU 4 N 0.54 4.46 -0.05 2.97 2.96 -0.46 -1.44 118.68 127.66 1vhx s LEU 4 Ca 0.07 1.18 0.04 0.00 -0.22 0.00 0.00 54.13 55.20 1vhx s LEU 4 Cb -0.12 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.67 1vhx s LEU 4 CO -0.00 0.19 -0.15 -0.83 -1.32 0.00 0.00 176.35 174.24 1vhx s GLY 5 N -0.61 1.52 0.03 7.98 0.00 0.42 -0.50 107.32 116.17 1vhx s GLY 5 Ca 0.29 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1vhx s GLY 5 CO 0.17 -0.76 -0.09 1.08 0.00 0.00 0.00 173.10 173.50 1vhx s LEU 6 N -0.70 2.18 -0.21 0.66 1.43 0.41 -1.17 118.68 121.28 1vhx s LEU 6 Ca 0.11 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1vhx s LEU 6 Cb -0.11 -0.33 0.05 0.00 0.03 0.00 0.00 46.19 45.84 1vhx s LEU 6 CO 0.01 -0.07 -0.06 -0.62 0.23 0.00 0.00 176.35 175.83 1vhx s ASP 7 N -1.17 3.50 -0.21 2.29 -1.08 -0.44 -1.96 116.67 117.60 1vhx s ASP 7 Ca -0.04 -0.99 -0.18 0.00 -0.52 0.00 0.00 52.55 50.82 1vhx s ASP 7 Cb -0.08 -1.11 -0.03 0.00 -1.46 0.00 0.00 42.92 40.24 1vhx s ASP 7 CO 0.01 -0.21 0.51 -0.22 0.52 0.00 0.00 175.17 175.77 1vhx s LEU 8 N 1.47 4.14 0.00 -1.34 2.96 -1.26 -0.98 118.68 123.66 1vhx s LEU 8 Ca -0.03 0.65 0.01 0.00 -0.22 0.00 0.00 54.13 54.53 1vhx s LEU 8 Cb -0.17 -2.68 -0.00 0.00 0.50 0.00 0.00 46.19 43.83 1vhx s LEU 8 CO -0.07 -0.18 0.03 0.61 -1.32 0.00 0.00 176.35 175.42 1vhx n GLY 9 N 3.94 3.51 0.21 7.98 0.00 0.22 -5.03 105.19 116.02 1vhx n GLY 9 Ca -0.05 -2.33 -0.14 0.00 0.00 0.00 0.00 46.02 43.50 1vhx n GLY 9 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1vhx h THR 10 N 1.33 1.31 -0.00 2.61 1.35 -1.97 -3.36 112.91 114.17 1vhx h THR 10 Ca -0.40 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 1vhx h THR 10 Cb 1.25 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 1vhx h THR 10 CO 0.66 0.62 -0.17 0.29 -0.25 0.00 0.00 175.52 176.66 1vhx n LYS 11 N -3.92 4.72 -3.93 4.72 4.01 -1.26 -3.43 118.16 119.06 1vhx n LYS 11 Ca -0.06 -0.12 -0.10 0.00 -0.51 0.00 0.00 58.31 57.52 1vhx n LYS 11 Cb 0.71 -0.76 -0.12 0.00 -0.51 0.00 0.00 35.03 34.35 1vhx n LYS 11 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1vhx s THR 12 N -1.26 0.07 -0.28 -0.18 -4.23 -1.26 -1.78 115.64 106.73 1vhx s THR 12 Ca 0.02 -0.56 -0.01 0.00 -1.18 0.00 0.00 61.69 59.96 1vhx s THR 12 Cb 0.03 -0.18 0.05 0.00 1.34 0.00 0.00 72.50 73.74 1vhx s THR 12 CO 0.16 -0.31 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.68 1vhx s LEU 13 N -0.91 3.67 0.08 4.79 2.96 0.15 -0.61 118.68 128.81 1vhx s LEU 13 Ca -0.10 -1.19 -0.30 0.00 -0.22 0.00 0.00 54.13 52.32 1vhx s LEU 13 Cb -0.06 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.90 1vhx s LEU 13 CO -0.01 -0.22 0.95 -0.83 -1.32 0.00 0.00 176.35 174.93 1vhx s GLY 14 N 1.25 2.97 -0.11 7.98 0.00 -0.15 -0.29 107.32 118.97 1vhx s GLY 14 Ca -0.04 0.55 0.02 0.00 0.00 0.00 0.00 44.72 45.25 1vhx s GLY 14 CO -0.02 1.48 -0.17 0.14 0.00 0.00 0.00 173.10 174.53 1vhx s VAL 15 N 0.21 1.66 0.15 1.40 1.01 0.01 -1.33 120.40 123.51 1vhx s VAL 15 Ca 0.47 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.78 1vhx s VAL 15 Cb -0.23 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1vhx s VAL 15 CO 0.29 0.47 -0.14 0.00 0.00 0.00 0.00 175.10 175.72 1vhx s ALA 16 N 0.87 1.71 -0.00 5.51 0.00 -0.32 -1.12 121.76 128.41 1vhx s ALA 16 Ca -0.08 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 1vhx s ALA 16 Cb -0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1vhx s ALA 16 CO -0.00 0.09 0.02 -1.17 0.00 0.00 0.00 175.76 174.69 1vhx s LEU 17 N -2.80 1.96 0.55 0.00 0.20 -0.11 -0.44 118.68 118.04 1vhx s LEU 17 Ca 0.15 -0.05 -0.18 0.00 0.69 0.00 0.00 54.13 54.73 1vhx s LEU 17 Cb -0.03 0.09 -0.06 0.00 -0.43 0.00 0.00 46.19 45.76 1vhx s LEU 17 CO 0.04 -0.06 1.07 -0.94 -0.29 0.00 0.00 176.35 176.17 1vhx s SER 18 N -0.25 5.92 1.04 3.68 1.04 -0.52 0.55 113.70 125.16 1vhx s SER 18 Ca -0.03 1.96 -0.16 0.00 0.48 0.00 0.00 55.95 58.20 1vhx s SER 18 Cb -0.02 -2.56 0.22 0.00 0.10 0.00 0.00 66.02 63.76 1vhx s SER 18 CO -0.00 -1.07 1.21 1.51 0.98 0.00 0.00 173.24 175.87 1vhx s ASP 19 N -2.21 2.41 0.00 7.02 1.47 -0.38 -4.72 116.67 120.27 1vhx s ASP 19 Ca 0.68 0.54 0.00 0.00 1.18 0.00 0.00 52.55 54.94 1vhx s ASP 19 Cb -0.18 -0.76 0.00 0.00 -0.34 0.00 0.00 42.92 41.63 1vhx s ASP 19 CO 0.28 -3.19 0.13 -1.84 0.68 0.00 0.00 175.17 171.23 1vhx n GLU 20 N -4.12 0.08 -1.30 2.11 -0.00 -1.26 -4.61 120.64 111.54 1vhx n GLU 20 Ca 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 57.16 57.28 1vhx n GLU 20 Cb 0.59 -1.46 0.01 0.00 -0.00 0.00 0.00 31.44 30.59 1vhx n GLU 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1vhx n GLY 22 N 1.59 -0.24 0.35 -1.84 0.00 -1.26 -5.00 105.19 98.78 1vhx n GLY 22 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 1vhx n GLY 22 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1vhx n TRP 23 N -0.22 0.00 -4.38 1.61 -0.00 -1.26 -4.91 117.44 108.27 1vhx n TRP 23 Ca -0.06 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.22 1vhx n TRP 23 Cb 0.50 -0.58 -0.11 0.00 -0.00 0.00 0.00 31.31 31.12 1vhx n TRP 23 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1vhx s THR 24 N -2.30 2.04 -0.14 5.87 -4.23 -1.26 -4.77 115.64 110.85 1vhx s THR 24 Ca -0.22 -2.06 -0.12 0.00 -1.18 0.00 0.00 61.69 58.11 1vhx s THR 24 Cb 0.07 -2.01 -0.05 0.00 1.34 0.00 0.00 72.50 71.86 1vhx s THR 24 CO 0.31 -0.32 0.24 0.00 -0.54 0.00 0.00 174.62 174.31 1vhx s ALA 25 N -2.15 3.68 0.03 3.99 0.00 -1.26 -1.24 121.76 124.80 1vhx s ALA 25 Ca 0.20 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.69 1vhx s ALA 25 Cb -0.05 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 1vhx s ALA 25 CO 0.09 0.25 -0.07 -0.65 0.00 0.00 0.00 175.76 175.37 1vhx s GLN 26 N -0.00 2.45 0.28 0.00 -0.21 0.19 -4.92 119.66 117.45 1vhx s GLN 26 Ca 0.15 -0.80 -0.24 0.00 0.02 0.00 0.00 55.36 54.49 1vhx s GLN 26 Cb -0.13 -2.45 -0.09 0.00 1.00 0.00 0.00 33.01 31.34 1vhx s GLN 26 CO 0.04 0.57 0.86 0.20 -2.12 0.00 0.00 175.29 174.84 1vhx s GLY 27 N -1.65 2.73 -0.03 3.09 0.00 -1.26 -0.94 107.32 109.27 1vhx s GLY 27 Ca 0.19 0.38 -0.07 0.00 0.00 0.00 0.00 44.72 45.22 1vhx s GLY 27 CO 0.10 0.79 -0.14 1.39 0.00 0.00 0.00 173.10 175.24 1vhx n ILE 28 N 0.65 1.22 -3.59 0.90 2.08 -0.28 -4.89 119.36 115.46 1vhx n ILE 28 Ca 0.00 0.23 -0.06 0.00 0.56 0.00 0.00 62.75 63.48 1vhx n ILE 28 Cb 0.50 -1.85 -0.02 0.00 -0.75 0.00 0.00 39.64 37.53 1vhx n ILE 28 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1vhx s GLU 29 N -2.33 0.84 -0.35 0.38 2.12 -1.13 -5.05 118.70 113.18 1vhx s GLU 29 Ca -0.12 -0.37 -0.02 0.00 0.36 0.00 0.00 54.97 54.81 1vhx s GLU 29 Cb 0.02 0.35 0.08 0.00 0.26 0.00 0.00 34.13 34.84 1vhx s GLU 29 CO 0.17 -0.38 0.10 0.99 -0.54 0.00 0.00 175.26 175.60 1vhx s THR 30 N -3.05 3.12 -0.01 -1.70 2.01 -1.26 -0.81 115.64 113.95 1vhx s THR 30 Ca 0.08 -1.71 -0.30 0.00 0.31 0.00 0.00 61.69 60.07 1vhx s THR 30 Cb -0.01 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 1vhx s THR 30 CO -0.05 -0.39 1.00 -0.63 -0.69 0.00 0.00 174.62 173.86 1vhx s ILE 31 N 1.19 4.78 -0.04 1.82 1.01 0.60 -4.88 121.20 125.69 1vhx s ILE 31 Ca 0.02 2.00 -0.29 0.00 0.00 0.00 0.00 60.65 62.38 1vhx s ILE 31 Cb -0.21 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 37.95 1vhx s ILE 31 CO -0.03 0.14 0.94 -1.59 0.00 0.00 0.00 174.94 174.40 1vhx s LYS 32 N 1.15 4.49 0.17 2.79 0.00 -1.26 0.33 119.74 127.41 1vhx s LYS 32 Ca 0.52 1.31 0.03 0.00 0.00 0.00 0.00 55.97 57.83 1vhx s LYS 32 Cb -0.21 -3.49 -0.01 0.00 0.00 0.00 0.00 37.83 34.12 1vhx s LYS 32 CO 0.27 -0.12 0.18 0.44 0.00 0.00 0.00 175.35 176.12 1vhx n ILE 33 N 4.09 0.00 -3.17 3.79 -5.35 -0.73 -4.79 119.36 113.19 1vhx n ILE 33 Ca 0.06 -1.15 0.04 0.00 -0.27 0.00 0.00 62.75 61.43 1vhx n ILE 33 Cb 0.50 0.61 -0.03 0.00 -1.74 0.00 0.00 39.64 38.98 1vhx n ILE 33 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1vhx s ASN 34 N -2.17 -0.09 0.21 7.28 4.22 0.80 -4.38 114.94 120.81 1vhx s ASN 34 Ca 0.19 0.10 -0.09 0.00 -2.14 0.00 0.00 52.86 50.92 1vhx s ASN 34 Cb 0.01 1.10 0.30 0.00 1.28 0.00 0.00 41.25 43.93 1vhx s ASN 34 CO 0.13 -0.02 1.72 1.05 -2.04 0.00 0.00 177.10 177.95 1vhx h GLU 35 N 7.40 0.33 -1.45 3.55 9.09 -1.58 1.43 114.58 133.35 1vhx h GLU 35 Ca -0.12 -0.02 0.42 0.00 0.05 0.00 0.00 59.36 59.69 1vhx h GLU 35 Cb 1.15 -0.07 -0.06 0.00 -1.65 0.00 0.00 28.75 28.11 1vhx h GLU 35 CO -0.04 0.22 1.04 0.00 0.05 0.00 0.00 179.01 180.28 1vhx h ALA 36 N 1.46 3.32 -0.01 1.06 0.00 -1.91 2.06 119.26 125.23 1vhx h ALA 36 Ca 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1vhx h ALA 36 Cb 0.44 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1vhx h ALA 36 CO -0.36 -1.75 -0.13 -0.85 0.00 0.00 0.00 179.25 176.16 1vhx n GLU 37 N -4.15 1.38 -1.89 0.00 0.28 -1.13 -4.96 120.64 110.17 1vhx n GLU 37 Ca 0.33 -0.97 0.00 0.00 -0.16 0.00 0.00 57.16 56.36 1vhx n GLU 37 Cb 1.50 -1.20 0.00 0.00 1.43 0.00 0.00 31.44 33.17 1vhx n GLU 37 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vhx n GLY 38 N 0.86 0.74 3.47 -1.84 0.00 0.70 -5.02 105.19 104.09 1vhx n GLY 38 Ca 0.06 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 1vhx n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vhx s ASP 39 N -2.86 6.19 0.00 1.61 3.68 0.49 -4.88 116.67 120.90 1vhx s ASP 39 Ca 0.00 -0.75 0.15 0.00 2.13 0.00 0.00 52.55 54.08 1vhx s ASP 39 Cb 0.00 -2.23 0.08 0.00 -1.45 0.00 0.00 42.92 39.32 1vhx s ASP 39 CO 0.00 -0.61 0.91 -1.22 0.13 0.00 0.00 175.17 174.38 1vhx n TYR 40 N 5.61 0.00 -0.95 -5.34 4.02 -1.26 -0.14 117.16 119.09 1vhx n TYR 40 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1vhx n TYR 40 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 1vhx n TYR 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vhx n GLY 41 N 0.94 0.43 0.31 2.72 0.00 -1.26 -4.90 105.19 103.42 1vhx n GLY 41 Ca 0.08 -0.88 -0.04 0.00 0.00 0.00 0.00 46.02 45.18 1vhx n GLY 41 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1vhx h LEU 42 N 0.00 0.91 -0.58 0.99 4.07 -1.97 -1.55 115.31 117.18 1vhx h LEU 42 Ca 0.00 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 1vhx h LEU 42 Cb 0.00 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.49 1vhx h LEU 42 CO 0.00 0.66 0.21 0.28 -1.08 0.00 0.00 178.44 178.51 1vhx h SER 43 N 1.08 0.82 -0.16 -0.43 0.02 -1.99 -1.31 113.55 111.58 1vhx h SER 43 Ca 0.30 -0.19 -0.19 0.00 -0.84 0.00 0.00 61.79 60.87 1vhx h SER 43 Cb -0.11 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.22 1vhx h SER 43 CO -0.07 0.79 -0.63 -0.09 -1.14 0.00 0.00 176.83 175.69 1vhx h ARG 44 N 0.81 0.78 -0.23 3.45 9.65 -1.95 -2.22 114.38 124.66 1vhx h ARG 44 Ca 0.19 -0.54 0.03 0.00 -1.10 0.00 0.00 59.98 58.56 1vhx h ARG 44 Cb 0.24 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.88 1vhx h ARG 44 CO -0.01 1.16 0.05 1.25 2.80 0.00 0.00 179.97 185.22 1vhx h LEU 45 N 0.57 0.02 -0.10 3.80 5.85 -1.10 0.59 115.31 124.94 1vhx h LEU 45 Ca -0.01 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1vhx h LEU 45 Cb 1.23 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 1vhx h LEU 45 CO 0.13 0.04 -0.09 0.28 -0.34 0.00 0.00 178.44 178.47 1vhx h SER 46 N 0.14 -0.28 0.04 1.25 0.02 -1.24 -0.88 113.55 112.61 1vhx h SER 46 Ca 0.11 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1vhx h SER 46 Cb 0.10 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1vhx h SER 46 CO -0.14 -0.12 -0.04 1.05 -1.14 0.00 0.00 176.83 176.44 1vhx h GLU 47 N -0.11 -0.09 -1.07 3.45 4.11 -0.60 -2.27 114.58 118.00 1vhx h GLU 47 Ca 0.07 0.01 0.30 0.00 0.07 0.00 0.00 59.36 59.81 1vhx h GLU 47 Cb 0.21 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.36 1vhx h GLU 47 CO -0.16 -0.06 0.67 -0.07 0.07 0.00 0.00 179.01 179.45 1vhx h LEU 48 N -0.10 0.47 -2.31 3.06 3.38 0.84 -1.92 115.31 118.75 1vhx h LEU 48 Ca 0.01 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1vhx h LEU 48 Cb 0.10 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1vhx h LEU 48 CO -0.02 0.00 0.00 2.30 0.09 0.00 0.00 178.44 180.82 1vhx n ILE 49 N -4.77 0.49 0.26 1.22 -5.35 -0.40 -4.50 119.36 106.31 1vhx n ILE 49 Ca 0.29 -0.75 0.11 0.00 -0.27 0.00 0.00 62.75 62.14 1vhx n ILE 49 Cb 0.96 0.98 0.70 0.00 -1.74 0.00 0.00 39.64 40.55 1vhx n ILE 49 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1vhx h LYS 50 N 4.15 0.00 0.00 6.28 2.10 -0.80 -0.65 116.57 127.66 1vhx h LYS 50 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1vhx h LYS 50 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1vhx h LYS 50 CO 0.00 0.12 0.00 -0.25 -2.00 0.00 0.00 179.45 177.32 1vhx n ASP 51 N -3.79 0.80 -4.89 7.07 8.00 -1.26 -4.83 116.55 117.63 1vhx n ASP 51 Ca -0.02 0.59 -0.22 0.00 0.71 0.00 0.00 54.79 55.85 1vhx n ASP 51 Cb 0.22 -0.80 -0.02 0.00 -0.02 0.00 0.00 41.12 40.51 1vhx n ASP 51 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1vhx s TYR 52 N -3.12 2.42 -0.29 1.24 2.02 -0.25 -4.98 117.35 114.38 1vhx s TYR 52 Ca 0.10 -0.57 0.03 0.00 -0.37 0.00 0.00 57.07 56.26 1vhx s TYR 52 Cb 0.12 -2.13 0.08 0.00 -0.40 0.00 0.00 41.96 39.63 1vhx s TYR 52 CO 0.57 -0.26 -0.03 0.95 -1.57 0.00 0.00 175.55 175.21 1vhx s THR 53 N -2.54 2.01 -0.24 -0.71 -4.23 -1.23 -5.01 115.64 103.69 1vhx s THR 53 Ca 0.47 -1.80 -0.15 0.00 -1.18 0.00 0.00 61.69 59.02 1vhx s THR 53 Cb -0.03 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 1vhx s THR 53 CO 0.28 -0.29 0.39 -0.63 -0.54 0.00 0.00 174.62 173.83 1vhx s ILE 54 N 1.11 5.18 -1.94 2.99 -1.09 -1.26 0.14 121.20 126.34 1vhx s ILE 54 Ca -0.00 0.65 0.16 0.00 -2.23 0.00 0.00 60.65 59.22 1vhx s ILE 54 Cb -0.19 -3.72 0.12 0.00 -1.58 0.00 0.00 42.46 37.09 1vhx s ILE 54 CO -0.08 0.20 0.99 -0.90 -1.23 0.00 0.00 174.94 173.93 1vhx n ASP 55 N 4.92 2.30 -3.58 3.58 5.75 -0.98 -4.92 116.55 123.62 1vhx n ASP 55 Ca -0.08 -1.65 -0.12 0.00 -0.01 0.00 0.00 54.79 52.93 1vhx n ASP 55 Cb 0.51 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.54 1vhx n ASP 55 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1vhx s LYS 56 N -1.30 0.68 -0.09 0.11 2.20 -1.26 -4.25 119.74 115.84 1vhx s LYS 56 Ca 0.18 0.28 0.03 0.00 -0.36 0.00 0.00 55.97 56.10 1vhx s LYS 56 Cb 0.13 0.32 0.01 0.00 -1.51 0.00 0.00 37.83 36.78 1vhx s LYS 56 CO 0.19 -0.19 -0.18 0.42 -0.36 0.00 0.00 175.35 175.23 1vhx s ILE 57 N -0.84 1.63 -0.18 5.43 1.01 -1.02 -1.35 121.20 125.88 1vhx s ILE 57 Ca -0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 1vhx s ILE 57 Cb -0.01 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 1vhx s ILE 57 CO 0.02 0.46 -0.03 -0.69 0.00 0.00 0.00 174.94 174.71 1vhx s VAL 58 N 0.59 3.87 -0.12 2.92 1.01 0.35 -0.56 120.40 128.45 1vhx s VAL 58 Ca -0.15 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1vhx s VAL 58 Cb -0.17 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1vhx s VAL 58 CO 0.05 0.46 -0.14 -0.22 0.00 0.00 0.00 175.10 175.25 1vhx s LEU 59 N 0.67 1.68 0.22 3.92 2.96 -0.02 -0.44 118.68 127.66 1vhx s LEU 59 Ca -0.02 -0.44 -0.32 0.00 -0.22 0.00 0.00 54.13 53.14 1vhx s LEU 59 Cb -0.14 -1.10 -0.12 0.00 0.50 0.00 0.00 46.19 45.32 1vhx s LEU 59 CO 0.02 -0.02 1.70 0.61 -1.32 0.00 0.00 176.35 177.35 1vhx n GLY 60 N 4.44 1.49 2.87 7.98 0.00 -0.83 -0.95 105.19 120.19 1vhx n GLY 60 Ca -0.18 0.60 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 1vhx n GLY 60 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vhx s PHE 61 N 1.02 1.03 0.47 1.61 5.36 -0.25 -4.75 117.98 122.47 1vhx s PHE 61 Ca 0.74 -0.40 -0.25 0.00 -0.96 0.00 0.00 56.93 56.07 1vhx s PHE 61 Cb -0.51 -0.94 -0.08 0.00 -0.34 0.00 0.00 43.02 41.15 1vhx s PHE 61 CO 0.34 -0.35 1.42 -0.35 -1.46 0.00 0.00 175.22 174.82 1vhx n PRO 62 N 4.70 2.14 -1.36 10.12 -0.04 -1.26 -4.48 135.00 144.81 1vhx n PRO 62 Ca -0.14 0.77 -0.34 0.00 -0.04 0.00 0.00 63.50 63.74 1vhx n PRO 62 Cb 0.50 -2.62 0.10 0.00 -0.04 0.00 0.00 33.50 31.44 1vhx n PRO 62 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1vhx s LYS 63 N -2.54 2.01 0.00 0.54 1.02 -1.26 -4.91 119.74 114.60 1vhx s LYS 63 Ca 0.63 1.82 0.00 0.00 0.02 0.00 0.00 55.97 58.44 1vhx s LYS 63 Cb -0.44 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1vhx s LYS 63 CO 0.56 -1.95 0.00 0.09 -0.92 0.00 0.00 175.35 173.13 1vhx n ASN 64 N -2.80 0.00 -3.91 2.83 3.02 -1.26 -4.82 115.26 108.31 1vhx n ASN 64 Ca 0.14 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.33 1vhx n ASN 64 Cb 0.50 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.57 1vhx n ASN 64 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1vhx n ASN 66 N 0.00 1.78 0.00 6.41 4.05 -1.26 -4.89 115.26 121.35 1vhx n ASN 66 Ca 0.00 -2.58 0.00 0.00 0.45 0.00 0.00 54.58 52.45 1vhx n ASN 66 Cb 0.00 -1.10 0.00 0.00 1.23 0.00 0.00 39.78 39.91 1vhx n ASN 66 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1vhx n GLY 67 N 5.23 2.73 3.70 8.20 0.00 -1.26 -5.02 105.19 118.77 1vhx n GLY 67 Ca 0.46 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 1vhx n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vhx s THR 68 N -2.10 5.39 0.00 2.61 2.01 -1.26 -5.09 115.64 117.20 1vhx s THR 68 Ca 0.00 0.19 -0.26 0.00 0.31 0.00 0.00 61.69 61.93 1vhx s THR 68 Cb 0.00 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 1vhx s THR 68 CO 0.00 0.40 0.81 0.54 -0.69 0.00 0.00 174.62 175.68 1vhx s VAL 69 N 0.65 4.86 0.82 3.82 0.11 -1.26 -4.64 120.40 124.76 1vhx s VAL 69 Ca 0.08 1.71 -0.06 0.00 -2.93 0.00 0.00 61.98 60.77 1vhx s VAL 69 Cb -0.12 -4.16 0.16 0.00 -1.53 0.00 0.00 36.38 30.74 1vhx s VAL 69 CO 0.01 0.27 1.13 -0.83 -3.33 0.00 0.00 175.10 172.35 1vhx s GLY 70 N 0.51 1.77 0.24 6.54 0.00 -1.26 -4.85 107.32 110.27 1vhx s GLY 70 Ca 0.42 -1.59 -0.07 0.00 0.00 0.00 0.00 44.72 43.49 1vhx s GLY 70 CO 0.23 -0.92 1.88 -2.55 0.00 0.00 0.00 173.10 171.74 1vhx h PRO 71 N -0.98 1.28 -0.11 2.90 0.11 -1.98 -0.12 132.00 133.10 1vhx h PRO 71 Ca -0.39 -0.12 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 1vhx h PRO 71 Cb 1.25 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1vhx h PRO 71 CO 0.38 0.90 -0.46 0.00 -0.21 0.00 0.00 178.00 178.61 1vhx h ARG 72 N 1.30 0.26 -0.17 1.05 -0.00 -1.99 -1.42 114.38 113.41 1vhx h ARG 72 Ca 0.33 -0.14 -0.13 0.00 -0.50 0.00 0.00 59.98 59.55 1vhx h ARG 72 Cb -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.92 1vhx h ARG 72 CO -0.06 0.67 -0.45 0.78 0.00 0.00 0.00 179.97 180.91 1vhx h GLY 73 N 1.27 0.47 0.97 0.04 0.00 -1.82 0.16 103.07 104.15 1vhx h GLY 73 Ca 0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 1vhx h GLY 73 CO 0.07 0.44 -0.10 1.05 0.00 0.00 0.00 176.54 178.00 1vhx h GLU 74 N 0.35 0.74 -0.26 4.80 9.09 -0.71 0.25 114.58 128.84 1vhx h GLU 74 Ca 0.02 -0.29 -0.11 0.00 0.05 0.00 0.00 59.36 59.03 1vhx h GLU 74 Cb 0.94 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.98 1vhx h GLU 74 CO 0.08 0.89 -0.31 0.00 0.05 0.00 0.00 179.01 179.72 1vhx h ALA 75 N 0.83 0.98 -0.31 1.06 0.00 -1.08 -2.16 119.26 118.58 1vhx h ALA 75 Ca 0.10 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1vhx h ALA 75 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1vhx h ALA 75 CO 0.04 0.60 -0.35 0.77 0.00 0.00 0.00 179.25 180.31 1vhx h SER 76 N 0.46 0.72 -0.20 0.00 0.02 -0.54 0.36 113.55 114.37 1vhx h SER 76 Ca 0.06 -0.31 -0.10 0.00 -0.84 0.00 0.00 61.79 60.60 1vhx h SER 76 Cb 0.76 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1vhx h SER 76 CO 0.06 1.01 -0.21 1.56 -1.14 0.00 0.00 176.83 178.11 1vhx h GLN 77 N 0.58 0.65 -0.45 3.45 4.20 -0.36 0.39 115.11 123.56 1vhx h GLN 77 Ca 0.06 -0.24 -0.11 0.00 0.06 0.00 0.00 58.65 58.41 1vhx h GLN 77 Cb 0.88 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1vhx h GLN 77 CO 0.08 0.81 -0.15 1.15 -0.67 0.00 0.00 178.83 180.05 1vhx h THR 78 N 0.57 1.27 -0.36 -0.54 2.02 -1.23 -2.38 112.91 112.27 1vhx h THR 78 Ca 0.09 -1.28 -0.06 0.00 0.77 0.00 0.00 66.41 65.92 1vhx h THR 78 Cb 0.67 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 1vhx h THR 78 CO 0.05 0.44 -0.02 0.15 0.37 0.00 0.00 175.52 176.51 1vhx h PHE 79 N 0.74 0.61 -0.45 3.16 3.57 -0.69 -1.02 116.94 122.87 1vhx h PHE 79 Ca 0.11 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1vhx h PHE 79 Cb 0.70 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1vhx h PHE 79 CO 0.05 0.60 0.06 0.00 -2.23 0.00 0.00 178.31 176.79 1vhx h ALA 80 N 1.43 1.26 -0.11 2.41 0.00 -0.55 -0.21 119.26 123.49 1vhx h ALA 80 Ca 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1vhx h ALA 80 Cb 0.38 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1vhx h ALA 80 CO 0.02 0.50 -0.05 0.87 0.00 0.00 0.00 179.25 180.58 1vhx h LYS 81 N 0.66 0.23 -0.29 0.00 1.57 -0.90 0.10 116.57 117.94 1vhx h LYS 81 Ca 0.14 -0.10 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 1vhx h LYS 81 Cb 0.33 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 1vhx h LYS 81 CO 0.01 0.58 -0.17 0.28 -0.57 0.00 0.00 179.45 179.57 1vhx h VAL 82 N -0.13 0.50 0.43 0.50 2.07 -0.85 -0.37 116.25 118.40 1vhx h VAL 82 Ca 0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1vhx h VAL 82 Cb 0.51 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1vhx h VAL 82 CO 0.02 0.00 -0.40 -0.07 0.02 0.00 0.00 177.57 177.14 1vhx h LEU 83 N -0.14 -1.07 -0.60 2.57 3.38 -0.80 0.97 115.31 119.63 1vhx h LEU 83 Ca 0.16 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.32 1vhx h LEU 83 Cb 0.38 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 1vhx h LEU 83 CO -0.38 -0.56 0.16 -0.08 0.09 0.00 0.00 178.44 177.68 1vhx h GLU 84 N -0.84 0.30 0.00 1.13 4.81 -0.76 0.24 114.58 119.46 1vhx h GLU 84 Ca -0.04 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1vhx h GLU 84 Cb 0.73 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1vhx h GLU 84 CO -0.04 0.20 -0.48 1.79 -0.73 0.00 0.00 179.01 179.75 1vhx h THR 85 N 0.31 0.88 0.03 0.32 1.35 -0.92 0.14 112.91 115.02 1vhx h THR 85 Ca 0.31 -2.07 -0.08 0.00 -0.55 0.00 0.00 66.41 64.02 1vhx h THR 85 Cb 0.43 2.31 0.01 0.00 -1.73 0.00 0.00 68.15 69.17 1vhx h THR 85 CO -0.36 0.47 -0.33 0.74 -0.25 0.00 0.00 175.52 175.79 1vhx h THR 86 N 0.00 1.59 -0.02 6.82 2.02 -0.41 -3.38 112.91 119.54 1vhx h THR 86 Ca -0.00 -2.17 0.00 0.00 0.77 0.00 0.00 66.41 65.00 1vhx h THR 86 Cb 1.27 3.00 0.00 0.00 -1.74 0.00 0.00 68.15 70.68 1vhx h THR 86 CO 0.06 0.59 -0.37 -1.22 0.37 0.00 0.00 175.52 174.96 1vhx n TYR 87 N -4.43 0.00 -4.03 3.16 4.01 0.04 -5.01 117.16 110.89 1vhx n TYR 87 Ca -0.11 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.36 1vhx n TYR 87 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.58 1vhx n TYR 87 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1vhx n ASN 88 N 0.13 -0.67 -4.18 7.72 5.15 0.04 -4.98 115.26 118.47 1vhx n ASN 88 Ca 0.09 -1.03 -0.19 0.00 -0.60 0.00 0.00 54.58 52.85 1vhx n ASN 88 Cb 0.44 -2.86 -0.12 0.00 -0.53 0.00 0.00 39.78 36.71 1vhx n ASN 88 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1vhx s VAL 89 N -3.90 1.16 0.43 3.44 -7.23 -1.25 -5.08 120.40 107.97 1vhx s VAL 89 Ca 0.12 -1.30 -0.26 0.00 -1.81 0.00 0.00 61.98 58.74 1vhx s VAL 89 Cb -0.07 -1.10 -0.09 0.00 0.56 0.00 0.00 36.38 35.68 1vhx s VAL 89 CO 0.91 -0.19 1.40 -2.65 -0.31 0.00 0.00 175.10 174.25 1vhx n PRO 90 N 1.31 2.23 -4.24 4.82 -0.02 -1.26 -4.53 135.00 133.32 1vhx n PRO 90 Ca -0.21 0.79 -0.32 0.00 -2.02 0.00 0.00 63.50 61.74 1vhx n PRO 90 Cb 0.54 -2.56 -0.16 0.00 -0.02 0.00 0.00 33.50 31.30 1vhx n PRO 90 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1vhx s VAL 91 N -1.18 1.93 -0.25 -1.45 1.01 -1.26 -2.44 120.40 116.77 1vhx s VAL 91 Ca 0.60 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1vhx s VAL 91 Cb -0.47 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1vhx s VAL 91 CO 0.59 0.52 0.06 -0.69 0.00 0.00 0.00 175.10 175.58 1vhx s VAL 92 N 1.21 4.28 0.06 2.92 1.01 0.28 -5.00 120.40 125.16 1vhx s VAL 92 Ca 0.02 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1vhx s VAL 92 Cb -0.14 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 1vhx s VAL 92 CO -0.09 0.35 1.11 -0.76 0.00 0.00 0.00 175.10 175.70 1vhx s LEU 93 N 1.56 4.39 -0.03 3.92 1.43 -1.26 -0.84 118.68 127.85 1vhx s LEU 93 Ca 0.06 1.90 -0.10 0.00 -1.03 0.00 0.00 54.13 54.96 1vhx s LEU 93 Cb -0.15 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.51 1vhx s LEU 93 CO 0.03 -0.36 0.22 0.86 0.23 0.00 0.00 176.35 177.34 1vhx s TRP 94 N 0.85 -0.12 0.00 0.29 -0.11 -0.12 -4.93 118.94 114.80 1vhx s TRP 94 Ca 0.55 0.23 0.00 0.00 1.22 0.00 0.00 56.10 58.10 1vhx s TRP 94 Cb -0.27 0.04 0.00 0.00 -1.50 0.00 0.00 33.47 31.74 1vhx s TRP 94 CO 0.29 -0.27 0.10 -3.47 -4.62 0.00 0.00 176.95 168.98 1vhx n ASP 95 N 1.87 0.07 -4.60 5.86 2.03 -1.26 -1.09 116.55 119.42 1vhx n ASP 95 Ca -0.19 -1.01 -0.43 0.00 0.52 0.00 0.00 54.79 53.68 1vhx n ASP 95 Cb 0.57 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.93 1vhx n ASP 95 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1vhx s GLU 96 N -0.01 3.83 0.27 -0.67 2.12 -1.26 -4.96 118.70 118.02 1vhx s GLU 96 Ca 0.00 0.59 -0.21 0.00 0.36 0.00 0.00 54.97 55.72 1vhx s GLU 96 Cb 0.00 -3.82 0.03 0.00 0.26 0.00 0.00 34.13 30.61 1vhx s GLU 96 CO 0.00 -1.01 0.78 -0.98 -0.54 0.00 0.00 175.26 173.51 1vhx s ARG 97 N 3.61 1.76 0.06 4.30 1.70 -1.26 -4.11 118.95 125.00 1vhx s ARG 97 Ca 0.40 -1.01 -0.30 0.00 -0.47 0.00 0.00 55.73 54.35 1vhx s ARG 97 Cb -0.11 0.57 -0.09 0.00 -0.57 0.00 0.00 34.95 34.75 1vhx s ARG 97 CO 0.20 -0.81 1.89 -1.17 -1.08 0.00 0.00 175.30 174.33 1vhx s LEU 98 N -2.96 4.41 0.84 -1.89 2.96 -1.26 -4.90 118.68 115.88 1vhx s LEU 98 Ca 0.12 2.67 -0.11 0.00 -0.22 0.00 0.00 54.13 56.59 1vhx s LEU 98 Cb -0.05 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.19 1vhx s LEU 98 CO 0.07 -1.02 1.09 0.42 -1.32 0.00 0.00 176.35 175.59 1vhx s THR 99 N 3.76 2.92 -0.18 3.68 -4.23 -1.26 -4.84 115.64 115.50 1vhx s THR 99 Ca 0.84 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 61.65 1vhx s THR 99 Cb -0.43 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 70.66 1vhx s THR 99 CO 0.39 -0.39 0.13 0.41 -0.54 0.00 0.00 174.62 174.61 1vhx n THR 100 N -3.76 0.12 0.00 3.99 -1.04 -1.26 -1.17 114.28 111.16 1vhx n THR 100 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1vhx n THR 100 Cb 0.54 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 1vhx n THR 100 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vhx n ALA 102 N 0.84 0.00 0.00 2.41 0.00 -1.26 -1.46 120.51 121.04 1vhx n ALA 102 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1vhx n ALA 102 Cb 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 1vhx n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vhx h ALA 103 N 0.00 0.07 -0.11 0.00 0.00 -1.47 -2.63 119.26 115.13 1vhx h ALA 103 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1vhx h ALA 103 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1vhx h ALA 103 CO 0.00 -0.36 -0.14 1.49 0.00 0.00 0.00 179.25 180.24 1vhx h GLU 104 N -0.04 -0.17 0.00 0.00 4.57 -1.51 0.48 114.58 117.91 1vhx h GLU 104 Ca 0.02 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1vhx h GLU 104 Cb 0.13 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1vhx h GLU 104 CO -0.00 -0.11 0.00 1.63 -1.18 0.00 0.00 179.01 179.35 1vhx n LYS 105 N -5.28 0.00 0.00 1.92 5.02 -0.99 -0.83 118.16 118.00 1vhx n LYS 105 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1vhx n LYS 105 Cb 0.20 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 1vhx n LYS 105 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1vhx n LEU 107 N 0.20 0.00 -0.23 -0.35 4.77 0.17 -0.98 117.00 120.58 1vhx n LEU 107 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1vhx n LEU 107 Cb 0.00 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 1vhx n LEU 107 CO 0.00 0.00 1.10 0.40 -1.33 0.00 0.00 177.39 177.56 1vhx h ILE 108 N 0.00 0.99 0.00 -0.08 2.04 -1.22 -1.10 117.51 118.14 1vhx h ILE 108 Ca 0.00 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1vhx h ILE 108 Cb 0.00 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1vhx h ILE 108 CO 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 178.15 178.26 1vhx h ALA 109 N 1.34 1.15 -0.13 1.87 0.00 -1.30 0.36 119.26 122.54 1vhx h ALA 109 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1vhx h ALA 109 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1vhx h ALA 109 CO -0.17 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.11 1vhx n ALA 110 N -2.16 2.51 -1.39 0.00 0.00 -0.51 -4.92 120.51 114.04 1vhx n ALA 110 Ca -0.02 -0.61 -0.06 0.00 0.00 0.00 0.00 53.44 52.75 1vhx n ALA 110 Cb 0.13 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 1vhx n ALA 110 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1vhx n ASP 111 N 0.67 -3.34 -4.75 0.00 10.43 0.13 -4.99 116.55 114.70 1vhx n ASP 111 Ca 0.17 0.10 -0.41 0.00 2.57 0.00 0.00 54.79 57.23 1vhx n ASP 111 Cb 0.44 -1.66 -0.03 0.00 1.84 0.00 0.00 41.12 41.70 1vhx n ASP 111 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1vhx s VAL 112 N -2.22 3.42 0.60 2.53 1.01 -0.64 -4.98 120.40 120.11 1vhx s VAL 112 Ca 0.00 1.26 -0.18 0.00 0.00 0.00 0.00 61.98 63.06 1vhx s VAL 112 Cb 0.00 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1vhx s VAL 112 CO 0.00 0.24 1.19 -0.94 0.00 0.00 0.00 175.10 175.59 1vhx s SER 113 N -0.16 5.17 0.24 3.32 1.04 -1.26 -4.66 113.70 117.39 1vhx s SER 113 Ca 0.51 2.34 -0.07 0.00 0.48 0.00 0.00 55.95 59.21 1vhx s SER 113 Cb -0.34 -2.59 0.42 0.00 0.10 0.00 0.00 66.02 63.61 1vhx s SER 113 CO 0.40 -1.60 1.66 -0.09 0.98 0.00 0.00 173.24 174.59 1vhx h ARG 114 N 0.79 0.17 -0.09 4.02 2.43 -2.00 -0.14 114.38 119.56 1vhx h ARG 114 Ca -0.50 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 58.54 1vhx h ARG 114 Cb 1.29 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1vhx h ARG 114 CO 0.55 0.11 -0.48 1.96 -1.51 0.00 0.00 179.97 180.61 1vhx h GLN 115 N 0.18 0.23 -0.29 0.20 4.20 -2.01 -2.74 115.11 114.88 1vhx h GLN 115 Ca 0.40 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.85 1vhx h GLN 115 Cb 0.68 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1vhx h GLN 115 CO -0.56 0.66 -0.36 -0.22 -0.67 0.00 0.00 178.83 177.67 1vhx h LYS 116 N 0.18 0.65 -0.20 1.46 3.64 -1.44 -2.63 116.57 118.24 1vhx h LYS 116 Ca 0.01 -0.32 0.04 0.00 -1.27 0.00 0.00 60.65 59.11 1vhx h LYS 116 Cb 0.91 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 1vhx h LYS 116 CO 0.07 0.91 -0.06 0.00 -2.27 0.00 0.00 179.45 178.11 1vhx h ARG 117 N 0.54 -0.01 -0.26 1.90 3.08 -1.03 -1.18 114.38 117.43 1vhx h ARG 117 Ca 0.05 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.12 1vhx h ARG 117 Cb 0.88 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 1vhx h ARG 117 CO 0.08 -0.01 0.12 -0.22 -1.07 0.00 0.00 179.97 178.87 1vhx h LYS 118 N -0.02 0.25 -0.29 0.04 1.63 -1.35 -1.12 116.57 115.71 1vhx h LYS 118 Ca 0.10 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.93 1vhx h LYS 118 Cb 0.16 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.69 1vhx h LYS 118 CO -0.21 0.17 0.04 0.87 -3.45 0.00 0.00 179.45 176.87 1vhx h LYS 119 N 0.26 0.13 -0.45 1.90 6.56 -1.07 -1.55 116.57 122.35 1vhx h LYS 119 Ca 0.11 -0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.62 1vhx h LYS 119 Cb 0.04 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.65 1vhx h LYS 119 CO -0.08 0.09 0.01 -0.39 -2.06 0.00 0.00 179.45 177.02 1vhx h VAL 120 N 0.14 1.26 -0.88 0.50 -1.51 -1.08 0.11 116.25 114.78 1vhx h VAL 120 Ca 0.14 -1.03 -0.01 0.00 -1.23 0.00 0.00 66.70 64.57 1vhx h VAL 120 Cb 0.16 1.03 -0.04 0.00 -2.13 0.00 0.00 31.29 30.30 1vhx h VAL 120 CO -0.20 0.36 0.52 0.40 -1.23 0.00 0.00 177.57 177.42 1vhx h ILE 121 N 0.65 1.25 -0.13 7.19 2.04 -1.10 -2.84 117.51 124.57 1vhx h ILE 121 Ca 0.13 -0.56 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 1vhx h ILE 121 Cb 0.48 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1vhx h ILE 121 CO 0.02 0.27 -0.21 0.44 0.00 0.00 0.00 178.15 178.67 1vhx h ASP 122 N 1.22 0.40 0.00 1.72 3.32 -1.09 -3.25 116.42 118.74 1vhx h ASP 122 Ca 0.32 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1vhx h ASP 122 Cb -0.03 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1vhx h ASP 122 CO -0.06 0.86 0.00 1.17 -1.72 0.00 0.00 179.24 179.49 1vhx n LYS 123 N -4.50 0.00 0.00 3.56 4.81 0.35 -4.81 118.16 117.57 1vhx n LYS 123 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1vhx n LYS 123 Cb 0.41 -1.08 0.00 0.00 0.02 0.00 0.00 35.03 34.38 1vhx n LYS 123 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vhx n ALA 125 N 0.58 0.00 -0.03 3.14 0.00 -1.23 -4.80 120.51 118.18 1vhx n ALA 125 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1vhx n ALA 125 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 1vhx n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vhx h ALA 126 N 0.00 0.92 0.00 0.00 0.00 -1.87 -1.11 119.26 117.20 1vhx h ALA 126 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1vhx h ALA 126 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1vhx h ALA 126 CO 0.00 0.62 0.00 0.28 0.00 0.00 0.00 179.25 180.15 1vhx n VAL 127 N -4.08 0.20 0.00 0.00 0.31 -1.26 -1.07 118.33 112.43 1vhx n VAL 127 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1vhx n VAL 127 Cb 0.46 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 1vhx n VAL 127 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1vhx n ILE 129 N 0.72 0.00 -0.06 2.52 2.08 -0.42 -0.51 119.36 123.70 1vhx n ILE 129 Ca 0.00 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 63.16 1vhx n ILE 129 Cb 0.12 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 38.95 1vhx n ILE 129 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 1vhx h LEU 130 N 0.00 0.79 -1.12 1.39 5.85 -1.36 -0.48 115.31 120.38 1vhx h LEU 130 Ca 0.00 -0.57 -0.04 0.00 0.84 0.00 0.00 57.88 58.11 1vhx h LEU 130 Cb 0.00 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1vhx h LEU 130 CO 0.00 1.22 0.14 -0.61 -0.34 0.00 0.00 178.44 178.85 1vhx h GLN 131 N 0.40 0.76 -0.53 1.25 5.75 -1.03 0.98 115.11 122.71 1vhx h GLN 131 Ca -0.00 -0.14 -0.11 0.00 -0.15 0.00 0.00 58.65 58.24 1vhx h GLN 131 Cb 1.11 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 1vhx h GLN 131 CO 0.11 0.67 -0.12 0.78 -2.65 0.00 0.00 178.83 177.63 1vhx h GLY 132 N 0.92 1.08 0.81 2.39 0.00 -1.64 0.42 103.07 107.04 1vhx h GLY 132 Ca 0.17 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 1vhx h GLY 132 CO -0.01 0.79 -0.03 -1.82 0.00 0.00 0.00 176.54 175.48 1vhx h TYR 133 N 0.88 -0.08 -0.79 5.60 3.20 -0.19 -0.91 116.97 124.69 1vhx h TYR 133 Ca 0.14 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1vhx h TYR 133 Cb 0.67 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.93 1vhx h TYR 133 CO 0.04 0.13 0.51 -0.07 -1.64 0.00 0.00 178.16 177.13 1vhx h LEU 134 N -0.27 0.92 -1.53 2.82 3.38 -0.71 -1.06 115.31 118.86 1vhx h LEU 134 Ca -0.01 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1vhx h LEU 134 Cb 0.24 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1vhx h LEU 134 CO 0.01 0.68 -0.05 0.44 0.09 0.00 0.00 178.44 179.61 1vhx h ASP 135 N 1.07 0.22 -0.15 -0.43 3.32 -0.78 -1.16 116.42 118.52 1vhx h ASP 135 Ca 0.29 -0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.10 1vhx h ASP 135 Cb -0.10 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.40 1vhx h ASP 135 CO -0.06 0.31 -0.69 -1.28 -1.72 0.00 0.00 179.24 175.80 1vhx h SER 136 N 0.24 0.86 -0.45 6.45 0.87 0.02 -3.26 113.55 118.29 1vhx h SER 136 Ca 0.05 -0.63 -0.05 0.00 -1.23 0.00 0.00 61.79 59.93 1vhx h SER 136 Cb 0.25 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1vhx h SER 136 CO 0.01 1.35 0.10 0.25 -0.53 0.00 0.00 176.83 178.01 1vhx h LEU 137 N 0.44 0.74 -0.05 2.23 5.85 -1.06 -2.90 115.31 120.56 1vhx h LEU 137 Ca -0.04 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1vhx h LEU 137 Cb 1.32 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1vhx h LEU 137 CO 0.14 0.75 0.00 0.59 -0.34 0.00 0.00 178.44 179.58 1vhx n ASN 138 N -4.27 0.12 0.00 1.25 3.02 -0.45 -5.10 115.26 109.83 1vhx n ASN 138 Ca 0.03 0.52 0.15 0.00 -0.03 0.00 0.00 54.58 55.26 1vhx n ASN 138 Cb 0.24 -0.55 0.91 0.00 -0.61 0.00 0.00 39.78 39.77 1vhx n ASN 138 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85