#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vph s HIS -4 N 0.00 3.17 -0.23 4.41 4.02 -1.26 -4.94 115.29 120.46 1vph s HIS -4 Ca 0.00 1.62 0.02 0.00 1.02 0.00 0.00 55.06 57.72 1vph s HIS -4 Cb 0.00 -3.18 0.00 0.00 -1.02 0.00 0.00 32.58 28.39 1vph s HIS -4 CO 0.00 -0.82 0.38 0.72 1.02 0.00 0.00 174.74 176.03 1vph n HIS -3 N -0.21 0.00 -4.43 1.40 8.25 -1.26 -5.04 115.22 113.93 1vph n HIS -3 Ca 0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.29 1vph n HIS -3 Cb 0.49 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.50 1vph n HIS -3 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1vph s HIS -2 N -0.63 2.11 0.38 4.41 0.09 -1.26 -5.11 115.29 115.27 1vph s HIS -2 Ca 0.02 -0.41 -0.27 0.00 -0.00 0.00 0.00 55.06 54.41 1vph s HIS -2 Cb 0.02 -0.94 -0.09 0.00 -0.00 0.00 0.00 32.58 31.57 1vph s HIS -2 CO 0.06 0.59 1.28 -1.01 -0.00 0.00 0.00 174.74 175.66 1vph s HIS -1 N -2.59 2.95 -0.01 1.40 4.02 -1.26 -5.04 115.29 114.76 1vph s HIS -1 Ca 0.27 1.44 -0.14 0.00 1.02 0.00 0.00 55.06 57.65 1vph s HIS -1 Cb -0.04 -3.63 0.02 0.00 -1.02 0.00 0.00 32.58 27.91 1vph s HIS -1 CO 0.12 -1.87 0.28 -1.01 1.02 0.00 0.00 174.74 173.28 1vph s HIS 0 N -1.24 -0.14 0.36 1.40 0.09 -1.26 -5.15 115.29 109.36 1vph s HIS 0 Ca 0.54 0.19 -0.27 0.00 -0.00 0.00 0.00 55.06 55.52 1vph s HIS 0 Cb -0.38 0.07 -0.09 0.00 -0.00 0.00 0.00 32.58 32.19 1vph s HIS 0 CO 0.49 -0.38 1.17 1.41 -0.00 0.00 0.00 174.74 177.43 1vph s MET 1 N -1.37 4.24 0.01 1.40 1.75 -1.26 -4.67 119.30 119.41 1vph s MET 1 Ca -0.14 1.87 0.08 0.00 -1.25 0.00 0.00 55.69 56.25 1vph s MET 1 Cb -0.06 -2.85 -0.03 0.00 2.84 0.00 0.00 34.83 34.74 1vph s MET 1 CO 0.04 -0.16 -0.23 0.15 -0.65 0.00 0.00 175.02 174.17 1vph s LYS 2 N -2.03 2.04 -0.06 4.11 1.02 0.18 -4.96 119.74 120.04 1vph s LYS 2 Ca 0.53 -0.98 0.04 0.00 0.02 0.00 0.00 55.97 55.59 1vph s LYS 2 Cb -0.32 -2.10 -0.00 0.00 -0.52 0.00 0.00 37.83 34.89 1vph s LYS 2 CO 0.41 0.55 -0.20 0.08 -0.92 0.00 0.00 175.35 175.27 1vph s VAL 3 N -0.77 1.67 -0.04 3.17 1.01 -1.26 -1.23 120.40 122.94 1vph s VAL 3 Ca 0.12 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1vph s VAL 3 Cb -0.10 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1vph s VAL 3 CO 0.02 0.47 -0.04 -0.47 0.00 0.00 0.00 175.10 175.08 1vph s TYR 4 N 0.17 0.63 0.09 5.22 5.04 0.70 -4.99 117.35 124.21 1vph s TYR 4 Ca -0.09 -0.15 0.07 0.00 -2.44 0.00 0.00 57.07 54.46 1vph s TYR 4 Cb -0.14 -0.58 -0.04 0.00 0.35 0.00 0.00 41.96 41.55 1vph s TYR 4 CO 0.04 -0.16 -0.13 -0.06 -1.34 0.00 0.00 175.55 173.90 1vph s PHE 5 N 0.84 2.67 0.31 4.97 0.08 -1.26 -0.59 117.98 125.00 1vph s PHE 5 Ca -0.11 -0.19 -0.08 0.00 0.12 0.00 0.00 56.93 56.67 1vph s PHE 5 Cb -0.14 -1.43 0.00 0.00 -0.57 0.00 0.00 43.02 40.89 1vph s PHE 5 CO -0.00 0.39 0.50 0.34 -0.10 0.00 0.00 175.22 176.35 1vph s ASP 6 N -2.02 0.38 -0.02 1.36 -1.08 0.04 -5.01 116.67 110.32 1vph s ASP 6 Ca 0.19 -1.22 0.02 0.00 -0.52 0.00 0.00 52.55 51.02 1vph s ASP 6 Cb -0.11 0.65 0.01 0.00 -1.46 0.00 0.00 42.92 42.01 1vph s ASP 6 CO 0.11 -1.27 -0.06 -1.81 0.52 0.00 0.00 175.17 172.66 1vph s ASP 7 N -3.13 0.88 -0.16 -0.34 1.01 -1.26 -1.00 116.67 112.67 1vph s ASP 7 Ca 0.26 -0.13 -0.01 0.00 0.71 0.00 0.00 52.55 53.38 1vph s ASP 7 Cb -0.01 -0.27 -0.01 0.00 1.01 0.00 0.00 42.92 43.64 1vph s ASP 7 CO 0.14 0.02 -0.11 -0.63 0.21 0.00 0.00 175.17 174.81 1vph s ILE 8 N 0.36 3.07 -0.17 0.77 1.01 0.43 -4.98 121.20 121.70 1vph s ILE 8 Ca -0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 1vph s ILE 8 Cb -0.09 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 1vph s ILE 8 CO 0.00 0.49 -0.06 -0.31 0.00 0.00 0.00 174.94 175.07 1vph s TYR 9 N 0.80 2.96 -0.01 3.97 2.02 -1.26 -0.52 117.35 125.32 1vph s TYR 9 Ca -0.04 -0.51 0.05 0.00 -0.37 0.00 0.00 57.07 56.20 1vph s TYR 9 Cb -0.15 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 1vph s TYR 9 CO 0.01 -0.20 -0.17 0.08 -1.57 0.00 0.00 175.55 173.70 1vph s VAL 10 N 0.64 1.35 -0.15 0.71 1.01 0.27 -4.97 120.40 119.27 1vph s VAL 10 Ca -0.03 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 1vph s VAL 10 Cb -0.15 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1vph s VAL 10 CO 0.02 0.37 -0.06 -0.44 0.00 0.00 0.00 175.10 174.99 1vph s SER 11 N -0.44 4.64 -0.00 3.32 0.01 -1.26 0.39 113.70 120.36 1vph s SER 11 Ca 0.06 -0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.18 1vph s SER 11 Cb -0.07 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 1vph s SER 11 CO -0.01 0.18 -0.02 0.42 0.41 0.00 0.00 173.24 174.22 1vph s THR 12 N 0.29 3.99 -0.18 1.44 -4.23 0.93 -4.98 115.64 112.91 1vph s THR 12 Ca -0.05 -0.64 0.17 0.00 -1.18 0.00 0.00 61.69 59.98 1vph s THR 12 Cb -0.14 -2.76 -0.23 0.00 1.34 0.00 0.00 72.50 70.70 1vph s THR 12 CO 0.03 0.39 0.07 0.00 -0.54 0.00 0.00 174.62 174.58 1vph n ALA 13 N 1.48 1.57 -2.52 3.99 0.00 -1.26 -2.47 120.51 121.29 1vph n ALA 13 Ca -0.15 -1.21 -0.24 0.00 0.00 0.00 0.00 53.44 51.84 1vph n ALA 13 Cb 0.53 -0.16 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 1vph n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1vph s ARG 14 N -2.47 1.87 0.10 0.00 3.00 -1.26 -4.42 118.95 115.76 1vph s ARG 14 Ca -0.09 -1.73 -0.23 0.00 0.00 0.00 0.00 55.73 53.67 1vph s ARG 14 Cb 0.06 -1.85 -0.11 0.00 0.00 0.00 0.00 34.95 33.04 1vph s ARG 14 CO 0.76 0.28 1.71 0.37 0.00 0.00 0.00 175.30 178.42 1vph h GLN 15 N 2.10 -0.13 -5.20 3.54 4.15 -1.93 -3.27 115.11 114.37 1vph h GLN 15 Ca -0.41 0.01 -0.64 0.00 0.77 0.00 0.00 58.65 58.37 1vph h GLN 15 Cb 1.26 0.03 -0.23 0.00 0.21 0.00 0.00 27.48 28.74 1vph h GLN 15 CO 0.63 -0.09 -0.68 -0.06 -1.93 0.00 0.00 178.83 176.70 1vph s PHE 16 N -6.17 3.00 -0.02 3.99 0.08 -1.26 -0.75 117.98 116.85 1vph s PHE 16 Ca -0.14 -0.46 -0.19 0.00 0.12 0.00 0.00 56.93 56.26 1vph s PHE 16 Cb 0.07 -2.01 0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1vph s PHE 16 CO 0.66 -0.19 0.40 -1.21 -0.10 0.00 0.00 175.22 174.79 1vph s GLU 17 N 0.73 0.77 -0.21 0.44 2.02 -0.06 -4.99 118.70 117.40 1vph s GLU 17 Ca -0.01 -0.08 -0.04 0.00 0.02 0.00 0.00 54.97 54.86 1vph s GLU 17 Cb -0.14 0.35 -0.01 0.00 0.10 0.00 0.00 34.13 34.42 1vph s GLU 17 CO 0.02 -0.22 -0.05 -0.51 0.02 0.00 0.00 175.26 174.52 1vph s LEU 18 N -1.29 2.89 -0.26 1.80 1.43 -1.26 -0.18 118.68 121.81 1vph s LEU 18 Ca -0.13 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1vph s LEU 18 Cb -0.04 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1vph s LEU 18 CO 0.06 0.01 -0.03 -0.69 0.23 0.00 0.00 176.35 175.93 1vph s VAL 19 N 1.33 3.11 -0.21 -1.59 1.01 0.08 -4.96 120.40 119.17 1vph s VAL 19 Ca 0.04 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 1vph s VAL 19 Cb -0.14 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1vph s VAL 19 CO -0.02 0.15 1.31 -0.62 0.00 0.00 0.00 175.10 175.91 1vph s ASP 20 N 1.35 6.81 -0.10 3.32 -1.08 -1.26 -0.65 116.67 125.06 1vph s ASP 20 Ca 0.00 1.55 0.14 0.00 -0.52 0.00 0.00 52.55 53.71 1vph s ASP 20 Cb -0.17 -2.54 0.33 0.00 -1.46 0.00 0.00 42.92 39.08 1vph s ASP 20 CO -0.03 -0.90 1.24 2.30 0.52 0.00 0.00 175.17 178.30 1vph n ILE 21 N 5.71 1.73 -0.15 4.11 -5.35 0.28 -4.77 119.36 120.92 1vph n ILE 21 Ca 0.15 -1.70 -0.04 0.00 -0.27 0.00 0.00 62.75 60.88 1vph n ILE 21 Cb 0.45 0.01 0.05 0.00 -1.74 0.00 0.00 39.64 38.41 1vph n ILE 21 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1vph h THR 22 N 1.01 0.91 -0.32 7.28 2.02 -1.90 -0.63 112.91 121.29 1vph h THR 22 Ca 0.00 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1vph h THR 22 Cb 1.03 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1vph h THR 22 CO 0.08 0.08 0.15 0.44 0.37 0.00 0.00 175.52 176.64 1vph h ASP 23 N 0.42 0.42 -0.56 4.18 3.32 -1.93 0.58 116.42 122.86 1vph h ASP 23 Ca 0.22 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1vph h ASP 23 Cb 0.17 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1vph h ASP 23 CO -0.18 0.44 0.37 1.56 -1.72 0.00 0.00 179.24 179.70 1vph h GLN 24 N 0.38 0.73 -0.59 3.56 7.50 -1.83 -0.56 115.11 124.30 1vph h GLN 24 Ca 0.11 -0.04 -0.05 0.00 0.50 0.00 0.00 58.65 59.17 1vph h GLN 24 Cb 0.13 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 27.47 1vph h GLN 24 CO -0.01 0.48 0.19 0.28 -1.50 0.00 0.00 178.83 178.27 1vph h VAL 25 N 0.75 1.24 -0.90 -0.54 2.07 -0.73 -1.85 116.25 116.29 1vph h VAL 25 Ca 0.21 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1vph h VAL 25 Cb -0.07 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1vph h VAL 25 CO -0.05 0.31 0.48 -0.33 0.02 0.00 0.00 177.57 177.99 1vph h GLU 26 N 0.83 1.26 -0.65 1.57 5.08 -0.57 -1.09 114.58 121.02 1vph h GLU 26 Ca 0.19 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1vph h GLU 26 Cb 0.27 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1vph h GLU 26 CO -0.01 0.93 0.42 1.96 -1.00 0.00 0.00 179.01 181.32 1vph h GLN 27 N 1.26 0.84 -0.15 2.33 4.20 -0.77 -0.18 115.11 122.63 1vph h GLN 27 Ca 0.31 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1vph h GLN 27 Cb 0.05 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1vph h GLN 27 CO -0.05 0.55 0.06 0.82 -0.67 0.00 0.00 178.83 179.54 1vph h ILE 28 N 0.86 1.17 -0.42 2.54 2.04 -0.92 0.17 117.51 122.94 1vph h ILE 28 Ca 0.24 -0.51 0.08 0.00 1.00 0.00 0.00 64.86 65.67 1vph h ILE 28 Cb -0.08 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 1vph h ILE 28 CO -0.06 0.16 -0.11 0.58 0.00 0.00 0.00 178.15 178.72 1vph h VAL 29 N 0.08 0.57 -0.35 1.67 2.07 -1.00 0.38 116.25 119.67 1vph h VAL 29 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1vph h VAL 29 Cb 0.20 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1vph h VAL 29 CO -0.00 0.00 0.19 -0.33 0.02 0.00 0.00 177.57 177.45 1vph h GLU 30 N -0.01 0.39 -0.03 1.57 3.07 -0.56 -2.88 114.58 116.13 1vph h GLU 30 Ca 0.20 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.99 1vph h GLU 30 Cb 0.31 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1vph h GLU 30 CO -0.44 0.26 -0.21 -0.22 -1.40 0.00 0.00 179.01 177.00 1vph h LYS 31 N 0.40 0.05 -0.39 2.33 3.64 0.12 -2.87 116.57 119.86 1vph h LYS 31 Ca 0.14 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1vph h LYS 31 Cb 0.02 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1vph h LYS 31 CO -0.07 0.26 0.26 0.66 -2.27 0.00 0.00 179.45 178.28 1vph h SER 32 N 0.05 0.42 0.00 4.20 4.64 -0.72 -3.46 113.55 118.68 1vph h SER 32 Ca 0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vph h SER 32 Cb 0.40 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1vph h SER 32 CO 0.03 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 1vph n GLY 33 N -1.48 1.20 3.73 -0.77 0.00 -1.08 -4.99 105.19 101.78 1vph n GLY 33 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1vph n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vph s ILE 34 N -3.63 4.32 -0.24 -0.61 1.01 -1.26 -4.96 121.20 115.83 1vph s ILE 34 Ca 0.00 1.90 0.05 0.00 0.00 0.00 0.00 60.65 62.60 1vph s ILE 34 Cb 0.00 -4.21 -0.19 0.00 0.01 0.00 0.00 42.46 38.07 1vph s ILE 34 CO 0.00 0.28 -0.14 0.29 0.00 0.00 0.00 174.94 175.36 1vph n LYS 35 N 2.86 0.66 -3.91 2.79 4.76 0.81 -4.57 118.16 121.56 1vph n LYS 35 Ca 0.03 0.12 -0.20 0.00 -2.87 0.00 0.00 58.31 55.40 1vph n LYS 35 Cb 0.48 -1.53 -0.17 0.00 -1.84 0.00 0.00 35.03 31.98 1vph n LYS 35 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1vph s ASN 36 N -6.33 0.95 0.00 4.39 0.01 -0.59 -0.27 114.94 113.10 1vph s ASN 36 Ca -0.29 -0.06 0.00 0.00 -0.71 0.00 0.00 52.86 51.80 1vph s ASN 36 Cb 0.08 -0.33 0.00 0.00 0.41 0.00 0.00 41.25 41.41 1vph s ASN 36 CO 0.65 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.72 1vph n GLY 37 N 4.52 -0.70 3.14 0.66 0.00 -0.00 -0.87 105.19 111.93 1vph n GLY 37 Ca -0.18 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 1vph n GLY 37 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vph s ILE 38 N -4.00 0.69 -0.22 -0.61 -4.36 -0.06 -1.40 121.20 111.25 1vph s ILE 38 Ca 0.00 -1.66 0.01 0.00 -0.26 0.00 0.00 60.65 58.74 1vph s ILE 38 Cb 0.00 -1.34 0.05 0.00 1.25 0.00 0.00 42.46 42.42 1vph s ILE 38 CO 0.00 -0.69 -0.09 0.00 0.24 0.00 0.00 174.94 174.40 1vph s LEU 40 N 1.35 4.19 -0.19 0.00 2.96 0.40 -0.65 118.68 126.73 1vph s LEU 40 Ca -0.04 0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 54.41 1vph s LEU 40 Cb -0.18 -2.50 0.01 0.00 0.50 0.00 0.00 46.19 44.02 1vph s LEU 40 CO -0.07 -0.03 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.15 1vph s ILE 41 N 1.06 2.48 -0.05 6.68 1.09 -0.34 -0.99 121.20 131.13 1vph s ILE 41 Ca 0.19 -0.81 -0.03 0.00 -1.10 0.00 0.00 60.65 58.91 1vph s ILE 41 Cb -0.14 -2.08 0.03 0.00 -1.06 0.00 0.00 42.46 39.20 1vph s ILE 41 CO 0.07 0.50 0.12 0.12 -0.10 0.00 0.00 174.94 175.65 1vph s PHE 42 N 1.35 -0.12 -0.12 3.97 2.19 -0.17 -1.43 117.98 123.64 1vph s PHE 42 Ca 0.05 0.37 -0.02 0.00 0.33 0.00 0.00 56.93 57.67 1vph s PHE 42 Cb -0.13 -0.06 -0.03 0.00 -1.31 0.00 0.00 43.02 41.49 1vph s PHE 42 CO -0.10 -0.12 -0.06 0.14 1.83 0.00 0.00 175.22 176.91 1vph s VAL 43 N 0.77 3.71 -1.90 3.12 -7.23 0.09 -0.31 120.40 118.65 1vph s VAL 43 Ca -0.06 -0.44 0.26 0.00 -1.81 0.00 0.00 61.98 59.92 1vph s VAL 43 Cb -0.08 -2.58 0.68 0.00 0.56 0.00 0.00 36.38 34.97 1vph s VAL 43 CO -0.03 0.54 1.89 0.00 -0.31 0.00 0.00 175.10 177.18 1vph n ALA 44 N 3.07 2.43 -2.39 1.32 0.00 -1.26 -4.84 120.51 118.84 1vph n ALA 44 Ca -0.18 -0.15 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 1vph n ALA 44 Cb 0.53 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 1vph n ALA 44 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1vph s HIS 45 N -2.10 3.47 -2.88 0.00 3.76 -1.26 -4.99 115.29 111.28 1vph s HIS 45 Ca 0.36 0.93 0.24 0.00 -0.15 0.00 0.00 55.06 56.45 1vph s HIS 45 Cb 0.18 -2.30 0.28 0.00 1.11 0.00 0.00 32.58 31.85 1vph s HIS 45 CO 0.31 0.31 1.31 -1.13 -0.85 0.00 0.00 174.74 174.69 1vph n SER 46 N 0.11 2.98 -0.09 1.40 3.41 -1.26 -4.19 113.62 115.98 1vph n SER 46 Ca -0.01 -1.97 0.04 0.00 -0.26 0.00 0.00 58.87 56.67 1vph n SER 46 Cb 0.52 -0.04 0.05 0.00 -0.26 0.00 0.00 64.21 64.49 1vph n SER 46 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1vph n THR 47 N 1.30 1.11 -4.32 6.66 -2.24 -1.26 -4.16 114.28 111.36 1vph n THR 47 Ca 0.15 -1.26 -0.17 0.00 -2.27 0.00 0.00 64.05 60.51 1vph n THR 47 Cb 0.59 0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.98 1vph n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vph s ALA 48 N -1.50 1.74 0.27 6.98 0.00 -1.26 -2.81 121.76 125.19 1vph s ALA 48 Ca 0.13 -1.85 -0.06 0.00 0.00 0.00 0.00 51.96 50.18 1vph s ALA 48 Cb 0.11 0.93 -0.01 0.00 0.00 0.00 0.00 23.12 24.15 1vph s ALA 48 CO 0.01 -0.42 0.38 0.00 0.00 0.00 0.00 175.76 175.73 1vph s ALA 49 N -3.69 0.52 -0.11 0.00 0.00 -0.44 -4.73 121.76 113.32 1vph s ALA 49 Ca 0.36 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 51.01 1vph s ALA 49 Cb 0.08 1.20 0.00 0.00 0.00 0.00 0.00 23.12 24.40 1vph s ALA 49 CO 0.13 -0.76 -0.22 0.42 0.00 0.00 0.00 175.76 175.32 1vph s ILE 50 N -3.73 1.97 0.26 0.00 -1.09 -0.98 -0.25 121.20 117.38 1vph s ILE 50 Ca 0.30 -0.96 0.01 0.00 -2.23 0.00 0.00 60.65 57.78 1vph s ILE 50 Cb 0.02 -1.72 -0.05 0.00 -1.58 0.00 0.00 42.46 39.12 1vph s ILE 50 CO 0.14 0.54 0.09 0.68 -1.23 0.00 0.00 174.94 175.16 1vph s VAL 51 N 0.49 0.60 -0.04 2.92 -7.23 -0.58 -4.54 120.40 112.02 1vph s VAL 51 Ca -0.16 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 1vph s VAL 51 Cb -0.17 -2.63 0.03 0.00 0.56 0.00 0.00 36.38 34.17 1vph s VAL 51 CO 0.06 -0.02 -0.01 0.00 -0.31 0.00 0.00 175.10 174.82 1vph s ALA 52 N -3.73 0.45 0.00 1.32 0.00 -1.26 -1.00 121.76 117.55 1vph s ALA 52 Ca 0.37 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1vph s ALA 52 Cb 0.08 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1vph s ALA 52 CO 0.13 -0.12 0.00 -1.71 0.00 0.00 0.00 175.76 174.07 1vph n ASN 53 N 4.27 0.00 -4.74 0.00 2.85 0.24 -4.86 115.26 113.02 1vph n ASN 53 Ca -0.23 -0.52 -0.40 0.00 -0.11 0.00 0.00 54.58 53.32 1vph n ASN 53 Cb 0.50 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.47 1vph n ASN 53 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1vph s GLU 54 N -0.56 4.56 -1.05 1.20 2.12 -0.98 0.43 118.70 124.42 1vph s GLU 54 Ca 0.00 1.18 -0.21 0.00 0.36 0.00 0.00 54.97 56.30 1vph s GLU 54 Cb 0.00 -3.36 0.07 0.00 0.26 0.00 0.00 34.13 31.11 1vph s GLU 54 CO 0.00 0.28 1.42 -1.58 -0.54 0.00 0.00 175.26 174.85 1vph s HIS 55 N -0.12 2.73 -0.03 5.30 5.65 -1.26 -4.70 115.29 122.86 1vph s HIS 55 Ca 0.41 -1.12 -0.00 0.00 0.25 0.00 0.00 55.06 54.59 1vph s HIS 55 Cb -0.21 -4.61 0.03 0.00 -1.18 0.00 0.00 32.58 26.61 1vph s HIS 55 CO 0.25 -1.81 0.02 -2.00 -0.65 0.00 0.00 174.74 170.55 1vph s GLU 56 N 4.25 0.16 0.21 2.88 -6.30 -1.26 -5.07 118.70 113.58 1vph s GLU 56 Ca 0.44 0.15 -0.09 0.00 -2.50 0.00 0.00 54.97 52.97 1vph s GLU 56 Cb -0.01 -0.44 0.27 0.00 0.00 0.00 0.00 34.13 33.95 1vph s GLU 56 CO -0.07 -0.18 1.76 0.00 0.02 0.00 0.00 175.26 176.79 1vph h ARG 57 N 7.47 0.45 -0.01 4.30 -0.00 -1.99 -0.55 114.38 124.05 1vph h ARG 57 Ca -0.39 -0.03 0.02 0.00 -0.50 0.00 0.00 59.98 59.08 1vph h ARG 57 Cb 1.13 -0.10 -0.02 0.00 0.00 0.00 0.00 29.97 30.98 1vph h ARG 57 CO 0.43 0.30 -0.07 0.78 0.00 0.00 0.00 179.97 181.40 1vph h GLY 58 N 0.47 -0.07 1.12 0.04 0.00 -1.98 -2.26 103.07 100.38 1vph h GLY 58 Ca 0.30 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.73 1vph h GLY 58 CO -0.27 -0.08 0.58 -2.00 0.00 0.00 0.00 176.54 174.77 1vph h LEU 59 N -0.12 1.03 -0.97 3.11 5.85 -1.68 -0.40 115.31 122.14 1vph h LEU 59 Ca 0.03 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1vph h LEU 59 Cb 0.17 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1vph h LEU 59 CO -0.09 0.76 0.64 0.24 -0.34 0.00 0.00 178.44 179.66 1vph h MET 60 N 1.22 1.27 -0.53 1.25 2.86 -0.93 0.44 114.93 120.51 1vph h MET 60 Ca 0.33 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.77 1vph h MET 60 Cb -0.12 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 31.24 1vph h MET 60 CO -0.07 0.84 -0.15 0.93 1.06 0.00 0.00 176.91 179.52 1vph h GLU 61 N 1.31 1.03 -0.34 1.72 3.07 -0.77 -2.75 114.58 117.84 1vph h GLU 61 Ca 0.36 -0.40 0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1vph h GLU 61 Cb -0.14 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.69 1vph h GLU 61 CO -0.08 1.09 0.17 -0.44 -1.40 0.00 0.00 179.01 178.35 1vph h ASP 62 N 0.90 0.25 -0.23 1.42 3.32 -0.53 -0.58 116.42 120.97 1vph h ASP 62 Ca 0.13 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.23 1vph h ASP 62 Cb 0.72 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 1vph h ASP 62 CO 0.06 0.18 0.02 0.40 -1.72 0.00 0.00 179.24 178.18 1vph h ILE 63 N 0.35 0.87 -0.15 0.35 2.04 -0.83 0.92 117.51 121.06 1vph h ILE 63 Ca 0.14 -0.04 -0.12 0.00 1.00 0.00 0.00 64.86 65.84 1vph h ILE 63 Cb 0.05 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1vph h ILE 63 CO -0.10 0.02 -0.45 -0.07 0.00 0.00 0.00 178.15 177.55 1vph h LEU 64 N 0.11 0.39 -0.23 1.44 3.38 -1.35 -0.15 115.31 118.89 1vph h LEU 64 Ca 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1vph h LEU 64 Cb 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1vph h LEU 64 CO -0.16 0.79 0.01 0.74 0.09 0.00 0.00 178.44 179.91 1vph h THR 65 N 0.30 1.25 -0.16 0.22 2.02 -0.55 -0.83 112.91 115.16 1vph h THR 65 Ca 0.02 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.37 1vph h THR 65 Cb 0.91 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 1vph h THR 65 CO 0.08 0.27 0.01 0.50 0.37 0.00 0.00 175.52 176.74 1vph h LYS 66 N 0.18 0.06 -0.39 6.66 1.63 -0.64 -0.68 116.57 123.39 1vph h LYS 66 Ca 0.07 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.93 1vph h LYS 66 Cb 0.38 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.94 1vph h LYS 66 CO 0.01 0.04 0.03 0.82 -3.45 0.00 0.00 179.45 176.91 1vph h ILE 67 N 0.07 0.74 -0.43 2.00 2.04 -0.96 -0.86 117.51 120.11 1vph h ILE 67 Ca 0.07 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1vph h ILE 67 Cb 0.08 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1vph h ILE 67 CO -0.11 0.03 0.23 0.11 0.00 0.00 0.00 178.15 178.40 1vph h LYS 68 N 0.15 0.44 -0.74 2.37 6.56 -0.87 -0.51 116.57 123.96 1vph h LYS 68 Ca 0.19 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.72 1vph h LYS 68 Cb 0.26 -0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 31.78 1vph h LYS 68 CO -0.29 0.29 0.30 0.93 -2.06 0.00 0.00 179.45 178.62 1vph h GLU 69 N 0.46 1.10 -0.44 3.15 5.08 -0.83 0.74 114.58 123.83 1vph h GLU 69 Ca 0.18 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1vph h GLU 69 Cb 0.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1vph h GLU 69 CO -0.11 0.89 -0.10 0.35 -1.00 0.00 0.00 179.01 179.03 1vph h PHE 70 N 1.08 0.96 0.00 4.33 3.57 -0.70 -3.32 116.94 122.85 1vph h PHE 70 Ca 0.25 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1vph h PHE 70 Cb 0.19 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 1vph h PHE 70 CO 0.02 0.95 -1.25 0.25 -2.23 0.00 0.00 178.31 176.05 1vph n THR 71 N -4.28 0.48 -2.99 4.41 -2.24 -0.24 -5.03 114.28 104.39 1vph n THR 71 Ca -0.00 -0.54 -0.04 0.00 -2.27 0.00 0.00 64.05 61.20 1vph n THR 71 Cb 0.37 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1vph n THR 71 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vph n GLU 72 N -2.58 -1.75 0.27 -0.78 1.02 0.24 -4.44 120.64 112.63 1vph n GLU 72 Ca -0.01 1.74 0.11 0.00 -0.02 0.00 0.00 57.16 58.98 1vph n GLU 72 Cb 0.56 -5.67 0.75 0.00 -0.02 0.00 0.00 31.44 27.06 1vph n GLU 72 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1vph h PRO 73 N 1.07 0.00 -0.01 3.49 0.11 -1.94 -1.89 132.00 132.83 1vph h PRO 73 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1vph h PRO 73 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1vph h PRO 73 CO 0.26 0.00 -0.06 -1.13 -0.21 0.00 0.00 178.00 176.86 1vph n SER 74 N -4.24 1.33 -4.79 -2.05 3.41 -1.26 -4.88 113.62 101.14 1vph n SER 74 Ca -0.03 -1.32 -0.35 0.00 -0.26 0.00 0.00 58.87 56.90 1vph n SER 74 Cb 0.09 0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 1vph n SER 74 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1vph s ARG 75 N -2.13 4.17 -1.56 4.33 3.52 -0.71 -4.94 118.95 121.62 1vph s ARG 75 Ca 0.35 1.39 -0.11 0.00 -0.13 0.00 0.00 55.73 57.22 1vph s ARG 75 Cb 0.21 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 31.13 1vph s ARG 75 CO 0.38 -0.11 2.69 0.43 -0.81 0.00 0.00 175.30 177.87 1vph n SER 76 N -0.25 7.00 -4.76 -2.12 7.64 -1.26 -4.95 113.62 114.93 1vph n SER 76 Ca 0.06 -2.68 -0.36 0.00 1.01 0.00 0.00 58.87 56.89 1vph n SER 76 Cb 0.51 -1.59 0.03 0.00 -1.01 0.00 0.00 64.21 62.15 1vph n SER 76 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1vph s TRP 77 N 2.46 2.45 0.33 1.43 0.52 -1.26 -4.94 118.94 119.92 1vph s TRP 77 Ca 0.61 1.50 0.02 0.00 0.02 0.00 0.00 56.10 58.25 1vph s TRP 77 Cb 0.17 -3.51 0.56 0.00 -1.15 0.00 0.00 33.47 29.53 1vph s TRP 77 CO -0.07 -2.21 1.92 0.87 0.02 0.00 0.00 176.95 177.49 1vph h LYS 78 N 1.14 0.76 -0.36 4.98 1.79 -2.01 -1.98 116.57 120.90 1vph h LYS 78 Ca -0.50 -0.10 0.11 0.00 -2.18 0.00 0.00 60.65 57.97 1vph h LYS 78 Cb 1.29 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1vph h LYS 78 CO 0.56 0.61 0.30 1.25 -1.08 0.00 0.00 179.45 181.10 1vph h HIS 79 N 0.76 0.00 0.00 -1.35 2.76 -1.92 -2.36 115.15 113.04 1vph h HIS 79 Ca 0.19 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1vph h HIS 79 Cb 0.12 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1vph h HIS 79 CO 0.01 0.00 0.00 0.09 -1.30 0.00 0.00 177.93 176.73 1vph n ASN 80 N -4.12 0.19 0.14 3.26 3.02 -0.74 -1.36 115.26 115.63 1vph n ASN 80 Ca 0.06 0.54 0.06 0.00 -0.03 0.00 0.00 54.58 55.21 1vph n ASN 80 Cb 0.48 -0.58 0.54 0.00 -0.61 0.00 0.00 39.78 39.60 1vph n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1vph h LEU 81 N 0.00 0.22 0.01 3.41 3.38 -1.57 -3.30 115.31 117.47 1vph h LEU 81 Ca 0.00 -0.01 -0.39 0.00 0.09 0.00 0.00 57.88 57.57 1vph h LEU 81 Cb 0.33 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 1vph h LEU 81 CO 0.00 0.17 -2.44 -0.38 0.09 0.00 0.00 178.44 175.88 1vph n ILE 82 N -4.51 1.52 -3.61 1.22 5.41 -0.47 -5.01 119.36 113.91 1vph n ILE 82 Ca -0.00 -0.56 -0.03 0.00 1.00 0.00 0.00 62.75 63.15 1vph n ILE 82 Cb 0.08 -1.48 -0.06 0.00 -0.71 0.00 0.00 39.64 37.48 1vph n ILE 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1vph s ASP 83 N -6.62 -0.85 0.00 4.38 2.15 -0.66 -5.07 116.67 110.00 1vph s ASP 83 Ca -0.34 1.27 0.00 0.00 0.43 0.00 0.00 52.55 53.91 1vph s ASP 83 Cb 0.09 1.61 0.00 0.00 -0.30 0.00 0.00 42.92 44.33 1vph s ASP 83 CO 0.61 -0.19 1.40 -0.90 -0.17 0.00 0.00 175.17 175.92 1vph n ASP 84 N 4.55 3.83 -0.90 -0.34 5.68 -1.26 -3.82 116.55 124.29 1vph n ASP 84 Ca -0.16 -2.01 0.04 0.00 -0.50 0.00 0.00 54.79 52.16 1vph n ASP 84 Cb 0.55 -0.78 0.07 0.00 -1.14 0.00 0.00 41.12 39.82 1vph n ASP 84 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1vph n ASN 85 N 1.29 1.05 -0.28 -1.12 6.94 -1.26 -4.83 115.26 117.04 1vph n ASN 85 Ca 0.00 -2.51 0.09 0.00 -0.02 0.00 0.00 54.58 52.14 1vph n ASN 85 Cb 0.41 -0.34 0.25 0.00 -2.36 0.00 0.00 39.78 37.74 1vph n ASN 85 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vph h ALA 86 N 0.63 1.24 -0.70 -2.53 0.00 -1.88 -0.12 119.26 115.89 1vph h ALA 86 Ca -0.10 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1vph h ALA 86 Cb 1.49 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 1vph h ALA 86 CO 0.04 -0.29 0.46 1.12 0.00 0.00 0.00 179.25 180.59 1vph h HIS 87 N 0.40 0.79 -0.59 0.00 2.07 -1.85 -0.76 115.15 115.20 1vph h HIS 87 Ca 0.49 0.02 -0.10 0.00 -2.85 0.00 0.00 60.37 57.93 1vph h HIS 87 Cb 0.86 -0.26 -0.02 0.00 2.57 0.00 0.00 27.41 30.55 1vph h HIS 87 CO -0.17 0.45 -0.02 0.00 -3.07 0.00 0.00 177.93 175.12 1vph h ALA 88 N 1.60 0.80 -0.47 6.11 0.00 -1.27 -0.86 119.26 125.18 1vph h ALA 88 Ca 0.29 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1vph h ALA 88 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1vph h ALA 88 CO -0.09 0.65 0.20 0.45 0.00 0.00 0.00 179.25 180.47 1vph h HIS 89 N 0.95 0.70 -0.35 0.00 3.86 -1.10 -0.38 115.15 118.83 1vph h HIS 89 Ca 0.17 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1vph h HIS 89 Cb 0.58 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 1vph h HIS 89 CO 0.04 0.58 0.20 -0.07 0.86 0.00 0.00 177.93 179.53 1vph h LEU 90 N 0.62 0.44 -0.39 2.43 3.38 -0.88 -0.15 115.31 120.75 1vph h LEU 90 Ca 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1vph h LEU 90 Cb 0.16 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1vph h LEU 90 CO -0.02 0.39 0.19 1.23 0.09 0.00 0.00 178.44 180.33 1vph h GLY 91 N 0.45 0.61 1.06 0.83 0.00 -1.01 -1.81 103.07 103.19 1vph h GLY 91 Ca 0.12 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1vph h GLY 91 CO -0.02 0.28 0.64 0.00 0.00 0.00 0.00 176.54 177.44 1vph h ALA 92 N 1.04 1.31 -0.33 3.60 0.00 -0.91 0.03 119.26 124.00 1vph h ALA 92 Ca 0.14 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1vph h ALA 92 Cb 0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1vph h ALA 92 CO -0.02 0.64 0.01 1.15 0.00 0.00 0.00 179.25 181.03 1vph h THR 93 N 1.31 1.26 -0.24 0.00 2.02 -0.60 0.35 112.91 117.00 1vph h THR 93 Ca 0.35 -0.94 -0.19 0.00 0.77 0.00 0.00 66.41 66.40 1vph h THR 93 Cb -0.15 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1vph h THR 93 CO -0.08 0.31 -0.59 -0.26 0.37 0.00 0.00 175.52 175.27 1vph h PHE 94 N 0.38 1.00 0.18 3.16 -1.00 -1.09 -3.34 116.94 116.23 1vph h PHE 94 Ca 0.09 -0.37 -0.30 0.00 2.81 0.00 0.00 57.97 60.20 1vph h PHE 94 Cb 0.43 -0.18 0.02 0.00 3.61 0.00 0.00 35.95 39.83 1vph h PHE 94 CO 0.03 1.19 -1.37 -0.07 -1.61 0.00 0.00 178.31 176.48 1vph h LEU 95 N 0.59 0.59 0.00 1.54 3.38 -0.90 -3.50 115.31 117.01 1vph h LEU 95 Ca 0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1vph h LEU 95 Cb 1.19 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1vph h LEU 95 CO 0.13 1.51 0.00 0.61 0.09 0.00 0.00 178.44 180.77 1vph n GLY 96 N 1.62 2.02 0.10 0.83 0.00 0.10 -4.82 105.19 105.03 1vph n GLY 96 Ca -0.13 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.30 1vph n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vph n ALA 97 N 1.88 3.08 -2.76 4.61 0.00 -1.26 -2.33 120.51 123.74 1vph n ALA 97 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.03 1vph n ALA 97 Cb 0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.15 1vph n ALA 97 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1vph s GLU 98 N -2.73 0.70 0.08 0.00 1.03 -1.26 -0.73 118.70 115.79 1vph s GLU 98 Ca 0.19 -0.73 0.04 0.00 0.03 0.00 0.00 54.97 54.50 1vph s GLU 98 Cb 0.19 0.29 -0.03 0.00 -0.80 0.00 0.00 34.13 33.77 1vph s GLU 98 CO 0.57 -0.20 -0.11 1.03 -1.33 0.00 0.00 175.26 175.23 1vph s ARG 99 N -2.86 0.78 -0.08 -4.83 1.81 -0.52 -4.85 118.95 108.40 1vph s ARG 99 Ca -0.03 -1.03 0.03 0.00 -1.72 0.00 0.00 55.73 52.99 1vph s ARG 99 Cb 0.00 -0.56 0.00 0.00 -0.45 0.00 0.00 34.95 33.94 1vph s ARG 99 CO -0.06 0.10 -0.19 0.08 -0.68 0.00 0.00 175.30 174.56 1vph s VAL 100 N -1.94 1.65 0.13 3.52 1.01 -1.26 -1.20 120.40 122.31 1vph s VAL 100 Ca 0.01 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.30 1vph s VAL 100 Cb -0.06 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1vph s VAL 100 CO 0.01 0.47 -0.22 -0.36 0.00 0.00 0.00 175.10 174.99 1vph s PHE 101 N 0.40 2.42 0.60 5.22 0.40 0.18 -4.96 117.98 122.25 1vph s PHE 101 Ca -0.15 -0.32 -0.16 0.00 -0.60 0.00 0.00 56.93 55.69 1vph s PHE 101 Cb -0.16 -1.29 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 1vph s PHE 101 CO 0.06 0.38 1.09 -2.14 0.70 0.00 0.00 175.22 175.31 1vph s PRO 102 N -2.16 3.15 -0.14 0.24 0.02 -1.26 -0.59 135.00 134.26 1vph s PRO 102 Ca 0.16 1.37 0.02 0.00 0.02 0.00 0.00 61.00 62.57 1vph s PRO 102 Cb -0.10 -2.00 0.02 0.00 0.02 0.00 0.00 34.50 32.44 1vph s PRO 102 CO 0.08 -0.97 -0.18 0.08 -0.33 0.00 0.00 177.00 175.69 1vph s VAL 103 N -2.25 1.78 -0.02 3.83 1.01 -0.49 -1.03 120.40 123.23 1vph s VAL 103 Ca 0.67 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1vph s VAL 103 Cb -0.19 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.60 1vph s VAL 103 CO 0.36 0.50 0.01 -0.60 0.00 0.00 0.00 175.10 175.36 1vph s ARG 104 N 1.09 0.18 -1.67 2.72 3.52 0.37 -0.82 118.95 124.34 1vph s ARG 104 Ca -0.02 0.09 -0.14 0.00 -0.13 0.00 0.00 55.73 55.52 1vph s ARG 104 Cb -0.14 -0.36 0.13 0.00 -1.56 0.00 0.00 34.95 33.01 1vph s ARG 104 CO -0.06 -0.12 0.61 0.39 -0.81 0.00 0.00 175.30 175.32 1vph n GLU 105 N 3.98 -2.55 -0.98 5.12 -0.58 -0.79 -0.66 120.64 124.17 1vph n GLU 105 Ca -0.25 0.31 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1vph n GLU 105 Cb 0.52 -4.77 0.00 0.00 -0.57 0.00 0.00 31.44 26.61 1vph n GLU 105 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vph n GLY 106 N -1.58 0.81 3.37 0.62 0.00 0.63 -5.01 105.19 104.04 1vph n GLY 106 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1vph n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vph s LYS 107 N -0.02 1.79 -0.02 1.61 -2.85 0.16 -4.78 119.74 115.63 1vph s LYS 107 Ca 0.00 -1.13 -0.30 0.00 -1.00 0.00 0.00 55.97 53.54 1vph s LYS 107 Cb 0.00 -2.00 -0.06 0.00 -2.06 0.00 0.00 37.83 33.71 1vph s LYS 107 CO 0.00 0.51 1.52 -1.17 0.10 0.00 0.00 175.35 176.31 1vph s LEU 108 N -1.39 4.31 -0.28 2.77 2.96 -1.26 -0.48 118.68 125.32 1vph s LEU 108 Ca 0.13 2.19 -0.26 0.00 -0.22 0.00 0.00 54.13 55.97 1vph s LEU 108 Cb -0.10 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.04 1vph s LEU 108 CO 0.03 -0.83 0.89 -0.69 -1.32 0.00 0.00 176.35 174.44 1vph s VAL 109 N 3.11 4.73 0.18 1.68 1.01 -0.20 -4.93 120.40 125.97 1vph s VAL 109 Ca 0.68 1.51 -0.20 0.00 0.00 0.00 0.00 61.98 63.97 1vph s VAL 109 Cb -0.33 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 31.88 1vph s VAL 109 CO 0.27 -0.24 0.57 0.00 0.00 0.00 0.00 175.10 175.70 1vph s ARG 110 N 3.11 1.33 0.74 2.72 1.70 -1.26 -4.39 118.95 122.90 1vph s ARG 110 Ca 0.37 -0.66 -0.11 0.00 -0.47 0.00 0.00 55.73 54.86 1vph s ARG 110 Cb -0.14 0.56 0.04 0.00 -0.57 0.00 0.00 34.95 34.83 1vph s ARG 110 CO 0.11 -0.58 1.08 0.20 -1.08 0.00 0.00 175.30 175.03 1vph s GLY 111 N -2.81 1.70 0.37 3.88 0.00 -1.26 -4.93 107.32 104.27 1vph s GLY 111 Ca 0.04 0.22 0.12 0.00 0.00 0.00 0.00 44.72 45.10 1vph s GLY 111 CO -0.08 0.55 1.85 -0.84 0.00 0.00 0.00 173.10 174.58 1vph h THR 112 N -0.93 0.75 -0.36 0.90 2.02 -2.03 -2.42 112.91 110.85 1vph h THR 112 Ca -0.44 -0.21 -0.18 0.00 0.77 0.00 0.00 66.41 66.36 1vph h THR 112 Cb 1.22 0.10 -0.11 0.00 -1.74 0.00 0.00 68.15 67.63 1vph h THR 112 CO 0.53 0.11 -0.06 0.79 0.37 0.00 0.00 175.52 177.26 1vph n TRP 113 N -4.58 1.11 -3.87 3.16 8.01 -1.26 -4.87 117.44 115.14 1vph n TRP 113 Ca 0.19 -1.57 -0.33 0.00 -1.31 0.00 0.00 57.50 54.48 1vph n TRP 113 Cb 0.58 -0.49 -0.13 0.00 -2.01 0.00 0.00 31.31 29.26 1vph n TRP 113 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.69 175.54 1vph s GLN 114 N -3.23 2.00 0.18 -0.99 0.74 -0.91 -2.31 119.66 115.14 1vph s GLN 114 Ca 0.45 -2.21 0.05 0.00 0.05 0.00 0.00 55.36 53.70 1vph s GLN 114 Cb 0.40 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 31.02 1vph s GLN 114 CO 0.00 -1.07 0.16 -0.80 -0.55 0.00 0.00 175.29 173.03 1vph s ASN 115 N 0.79 5.57 -0.21 6.67 -0.87 0.17 -4.57 114.94 122.49 1vph s ASN 115 Ca 0.13 -0.13 -0.09 0.00 -1.57 0.00 0.00 52.86 51.20 1vph s ASN 115 Cb -0.22 -1.46 -0.05 0.00 -0.02 0.00 0.00 41.25 39.50 1vph s ASN 115 CO -0.04 0.05 0.11 -0.63 -2.57 0.00 0.00 177.10 174.02 1vph s ILE 116 N -1.82 5.13 -0.03 0.60 1.01 -1.26 -0.59 121.20 124.24 1vph s ILE 116 Ca 0.31 0.09 0.04 0.00 0.00 0.00 0.00 60.65 61.10 1vph s ILE 116 Cb -0.10 -3.35 -0.00 0.00 0.01 0.00 0.00 42.46 39.02 1vph s ILE 116 CO 0.24 0.42 -0.16 -0.36 0.00 0.00 0.00 174.94 175.08 1vph s PHE 117 N 0.59 1.54 -0.02 3.97 0.08 -0.17 -0.56 117.98 123.41 1vph s PHE 117 Ca 0.06 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.41 1vph s PHE 117 Cb -0.12 -1.03 -0.03 0.00 -0.57 0.00 0.00 43.02 41.27 1vph s PHE 117 CO 0.01 -0.12 1.01 -1.17 -0.10 0.00 0.00 175.22 174.84 1vph s LEU 118 N -0.03 4.34 -0.39 -0.37 2.96 0.17 -1.53 118.68 123.84 1vph s LEU 118 Ca -0.01 1.66 -0.12 0.00 -0.22 0.00 0.00 54.13 55.44 1vph s LEU 118 Cb -0.10 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.05 1vph s LEU 118 CO 0.01 -0.33 0.24 -0.69 -1.32 0.00 0.00 176.35 174.26 1vph s VAL 119 N 1.29 4.75 -0.23 1.68 1.01 0.65 -0.74 120.40 128.81 1vph s VAL 119 Ca 0.52 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 1vph s VAL 119 Cb -0.21 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1vph s VAL 119 CO 0.26 -0.27 0.32 -0.70 0.00 0.00 0.00 175.10 174.70 1vph s GLU 120 N 1.58 4.09 0.00 2.72 2.56 0.74 -1.33 118.70 129.06 1vph s GLU 120 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 54.97 55.04 1vph s GLU 120 Cb -0.19 -3.58 0.01 0.00 2.00 0.00 0.00 34.13 32.37 1vph s GLU 120 CO 0.07 -0.09 0.47 1.28 -0.56 0.00 0.00 175.26 176.44 1vph n LEU 121 N 4.69 0.95 -2.73 2.70 4.77 -1.12 -0.88 117.00 125.37 1vph n LEU 121 Ca -0.10 -0.83 -0.05 0.00 -0.03 0.00 0.00 56.01 54.99 1vph n LEU 121 Cb 0.51 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.65 1vph n LEU 121 CO 0.37 0.21 -0.02 -0.67 -1.33 0.00 0.00 177.39 175.95 1vph n ASP 122 N -0.21 1.25 -4.63 -1.43 2.03 -0.96 -4.58 116.55 108.03 1vph n ASP 122 Ca 0.02 -2.41 -0.27 0.00 0.52 0.00 0.00 54.79 52.64 1vph n ASP 122 Cb 0.09 -0.40 0.12 0.00 -0.72 0.00 0.00 41.12 40.20 1vph n ASP 122 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1vph s GLY 123 N -3.24 1.71 0.38 0.27 0.00 0.07 -4.58 107.32 101.92 1vph s GLY 123 Ca 0.26 -1.07 -0.25 0.00 0.00 0.00 0.00 44.72 43.66 1vph s GLY 123 CO -0.00 -0.51 1.02 2.56 0.00 0.00 0.00 173.10 176.17 1vph s PRO 124 N -5.51 4.29 -0.04 2.90 0.04 -1.25 -3.69 135.00 131.74 1vph s PRO 124 Ca 0.66 1.46 0.02 0.00 0.04 0.00 0.00 61.00 63.18 1vph s PRO 124 Cb -0.08 -2.61 0.01 0.00 0.04 0.00 0.00 34.50 31.86 1vph s PRO 124 CO 0.48 -0.02 -0.10 1.03 0.04 0.00 0.00 177.00 178.44 1vph s ARG 125 N -2.38 1.15 0.21 4.56 1.81 -1.03 -4.97 118.95 118.30 1vph s ARG 125 Ca 0.56 -0.32 0.09 0.00 -1.72 0.00 0.00 55.73 54.34 1vph s ARG 125 Cb -0.21 -1.04 0.13 0.00 -0.45 0.00 0.00 34.95 33.38 1vph s ARG 125 CO 0.26 0.08 1.48 0.66 -0.68 0.00 0.00 175.30 177.10 1vph h SER 126 N 6.60 0.00 -3.13 0.23 4.64 -1.87 0.27 113.55 120.28 1vph h SER 126 Ca -0.34 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.42 1vph h SER 126 Cb 1.17 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.86 1vph h SER 126 CO 0.48 0.77 -0.76 -1.61 -0.87 0.00 0.00 176.83 174.84 1vph s GLU 127 N -3.24 0.66 -0.13 4.77 2.02 -1.25 -4.00 118.70 117.52 1vph s GLU 127 Ca -0.00 -0.92 -0.07 0.00 0.02 0.00 0.00 54.97 54.00 1vph s GLU 127 Cb 0.12 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 1vph s GLU 127 CO 0.78 -0.94 0.11 1.03 0.02 0.00 0.00 175.26 176.27 1vph s ARG 128 N 1.70 3.53 -0.16 1.61 1.81 0.16 -4.96 118.95 122.64 1vph s ARG 128 Ca 0.08 -0.20 0.02 0.00 -1.72 0.00 0.00 55.73 53.90 1vph s ARG 128 Cb -0.17 -3.17 0.02 0.00 -0.45 0.00 0.00 34.95 31.18 1vph s ARG 128 CO -0.24 0.66 -0.20 -1.58 -0.68 0.00 0.00 175.30 173.25 1vph s HIS 129 N -0.69 2.65 -0.23 -0.53 5.65 -1.26 -0.57 115.29 120.31 1vph s HIS 129 Ca 0.13 -1.46 -0.05 0.00 0.25 0.00 0.00 55.06 53.92 1vph s HIS 129 Cb -0.12 -1.83 -0.02 0.00 -1.18 0.00 0.00 32.58 29.44 1vph s HIS 129 CO 0.03 -0.70 0.01 0.42 -0.65 0.00 0.00 174.74 173.84 1vph s ILE 130 N 1.10 3.86 -0.05 0.89 1.09 0.32 -4.05 121.20 124.36 1vph s ILE 130 Ca -0.00 -0.33 -0.25 0.00 -1.10 0.00 0.00 60.65 58.97 1vph s ILE 130 Cb -0.14 -2.77 -0.03 0.00 -1.06 0.00 0.00 42.46 38.45 1vph s ILE 130 CO -0.08 0.39 0.77 -0.89 -0.10 0.00 0.00 174.94 175.03 1vph s THR 131 N 1.40 5.00 -0.17 2.92 2.01 0.58 -0.43 115.64 126.96 1vph s THR 131 Ca 0.05 1.60 0.00 0.00 0.31 0.00 0.00 61.69 63.65 1vph s THR 131 Cb -0.15 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.26 1vph s THR 131 CO 0.01 0.23 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.32 1vph s VAL 132 N 0.85 2.53 -0.13 3.82 1.01 -0.17 -1.00 120.40 127.31 1vph s VAL 132 Ca 0.41 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1vph s VAL 132 Cb -0.19 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.13 1vph s VAL 132 CO 0.21 0.51 -0.21 -0.70 0.00 0.00 0.00 175.10 174.91 1vph s GLU 133 N 1.00 2.86 -0.13 2.72 2.12 -0.16 -0.78 118.70 126.33 1vph s GLU 133 Ca -0.02 -0.80 -0.03 0.00 0.36 0.00 0.00 54.97 54.48 1vph s GLU 133 Cb -0.15 -2.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.90 1vph s GLU 133 CO -0.04 -0.01 -0.02 0.42 -0.54 0.00 0.00 175.26 175.08 1vph s ILE 134 N 0.80 4.06 -0.04 -3.70 -1.09 0.24 -0.45 121.20 121.02 1vph s ILE 134 Ca -0.08 -0.31 0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1vph s ILE 134 Cb -0.16 -2.75 0.02 0.00 -1.58 0.00 0.00 42.46 37.99 1vph s ILE 134 CO -0.01 0.53 -0.06 -0.22 -1.23 0.00 0.00 174.94 173.95 1vph s LEU 135 N -0.08 1.45 0.00 2.97 0.20 -0.55 -0.22 118.68 122.44 1vph s LEU 135 Ca 0.03 -0.15 0.00 0.00 0.69 0.00 0.00 54.13 54.69 1vph s LEU 135 Cb -0.13 -0.50 0.00 0.00 -0.43 0.00 0.00 46.19 45.14 1vph s LEU 135 CO 0.02 -0.03 0.00 0.61 -0.29 0.00 0.00 176.35 176.67 1vph n GLY 136 N 3.89 -0.48 0.69 7.98 0.00 -0.37 -0.88 105.19 116.02 1vph n GLY 136 Ca -0.24 -1.07 0.09 0.00 0.00 0.00 0.00 46.02 44.80 1vph n GLY 136 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48