#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vph s MET 1 N 0.00 3.96 -0.01 1.57 1.75 -1.26 -4.38 119.30 120.93 1vph s MET 1 Ca 0.00 1.93 -0.05 0.00 -1.25 0.00 0.00 55.69 56.31 1vph s MET 1 Cb 0.00 -2.65 0.00 0.00 2.84 0.00 0.00 34.83 35.02 1vph s MET 1 CO 0.00 -0.42 0.11 0.15 -0.65 0.00 0.00 175.02 174.21 1vph s LYS 2 N -2.35 0.37 -0.08 4.11 1.02 0.18 -4.97 119.74 118.01 1vph s LYS 2 Ca 0.58 -0.27 0.03 0.00 0.02 0.00 0.00 55.97 56.33 1vph s LYS 2 Cb -0.33 0.15 0.01 0.00 -0.52 0.00 0.00 37.83 37.15 1vph s LYS 2 CO 0.41 -0.08 -0.16 0.08 -0.92 0.00 0.00 175.35 174.68 1vph s VAL 3 N -1.00 1.49 -0.04 3.17 1.01 -1.26 -1.14 120.40 122.63 1vph s VAL 3 Ca -0.11 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1vph s VAL 3 Cb -0.06 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 35.00 1vph s VAL 3 CO 0.01 0.43 -0.10 -0.47 0.00 0.00 0.00 175.10 174.98 1vph s TYR 4 N 0.64 1.09 0.09 5.22 5.04 0.10 -4.99 117.35 124.54 1vph s TYR 4 Ca -0.14 -0.32 0.09 0.00 -2.44 0.00 0.00 57.07 54.26 1vph s TYR 4 Cb -0.16 -0.81 -0.04 0.00 0.35 0.00 0.00 41.96 41.30 1vph s TYR 4 CO 0.04 -0.17 -0.22 -0.06 -1.34 0.00 0.00 175.55 173.80 1vph s PHE 5 N 0.44 2.43 0.31 4.97 0.08 -1.26 -0.39 117.98 124.56 1vph s PHE 5 Ca -0.08 -0.32 -0.06 0.00 0.12 0.00 0.00 56.93 56.59 1vph s PHE 5 Cb -0.12 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 40.98 1vph s PHE 5 CO 0.01 0.30 0.47 0.34 -0.10 0.00 0.00 175.22 176.24 1vph s ASP 6 N -1.80 0.55 -0.01 1.36 -1.08 0.05 -5.02 116.67 110.72 1vph s ASP 6 Ca 0.15 -1.32 0.03 0.00 -0.52 0.00 0.00 52.55 50.89 1vph s ASP 6 Cb -0.10 0.63 -0.01 0.00 -1.46 0.00 0.00 42.92 41.98 1vph s ASP 6 CO 0.06 -1.24 -0.09 -1.81 0.52 0.00 0.00 175.17 172.61 1vph s ASP 7 N -3.17 1.03 -0.11 -0.34 1.01 -1.26 -1.20 116.67 112.63 1vph s ASP 7 Ca 0.28 -0.16 0.02 0.00 0.71 0.00 0.00 52.55 53.41 1vph s ASP 7 Cb -0.00 -0.13 -0.01 0.00 1.01 0.00 0.00 42.92 43.79 1vph s ASP 7 CO 0.16 0.10 -0.19 -0.63 0.21 0.00 0.00 175.17 174.82 1vph s ILE 8 N -0.17 2.47 -0.11 0.77 1.01 0.32 -5.00 121.20 120.49 1vph s ILE 8 Ca 0.03 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.83 1vph s ILE 8 Cb -0.04 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 1vph s ILE 8 CO -0.00 0.54 -0.19 -0.31 0.00 0.00 0.00 174.94 174.98 1vph s TYR 9 N 0.36 2.67 -0.07 3.97 2.02 -1.26 -0.31 117.35 124.72 1vph s TYR 9 Ca -0.15 -0.83 0.02 0.00 -0.37 0.00 0.00 57.07 55.74 1vph s TYR 9 Cb -0.17 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.64 1vph s TYR 9 CO 0.07 -0.30 -0.13 0.08 -1.57 0.00 0.00 175.55 173.71 1vph s VAL 10 N 0.29 1.19 -0.12 0.71 1.01 0.08 -4.94 120.40 118.61 1vph s VAL 10 Ca -0.14 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1vph s VAL 10 Cb -0.17 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1vph s VAL 10 CO 0.07 0.37 0.26 -0.44 0.00 0.00 0.00 175.10 175.36 1vph s SER 11 N 0.73 6.48 0.00 3.32 0.01 -1.25 0.31 113.70 123.31 1vph s SER 11 Ca -0.13 0.57 0.04 0.00 1.31 0.00 0.00 55.95 57.74 1vph s SER 11 Cb -0.16 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.88 1vph s SER 11 CO 0.03 0.23 -0.09 0.42 0.41 0.00 0.00 173.24 174.24 1vph s THR 12 N -0.24 3.46 -0.14 1.44 -4.23 0.37 -4.97 115.64 111.32 1vph s THR 12 Ca 0.17 -0.84 0.16 0.00 -1.18 0.00 0.00 61.69 60.00 1vph s THR 12 Cb -0.13 -2.48 -0.23 0.00 1.34 0.00 0.00 72.50 70.99 1vph s THR 12 CO 0.05 0.40 0.13 0.00 -0.54 0.00 0.00 174.62 174.66 1vph n ALA 13 N 1.62 1.79 -2.54 3.99 0.00 -1.26 -2.34 120.51 121.77 1vph n ALA 13 Ca -0.16 -1.01 -0.24 0.00 0.00 0.00 0.00 53.44 52.04 1vph n ALA 13 Cb 0.52 -0.22 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.58 1.95 0.11 0.00 0.52 -1.26 -4.44 118.95 113.25 1vph s ARG 14 Ca -0.08 -1.67 -0.20 0.00 -0.52 0.00 0.00 55.73 53.26 1vph s ARG 14 Cb 0.06 -1.92 -0.09 0.00 0.52 0.00 0.00 34.95 33.53 1vph s ARG 14 CO 0.72 0.30 1.74 0.37 0.02 0.00 0.00 175.30 178.44 1vph h GLN 15 N 2.06 0.22 -5.18 3.54 4.15 -1.93 -3.24 115.11 114.73 1vph h GLN 15 Ca -0.42 -0.02 -0.66 0.00 0.77 0.00 0.00 58.65 58.32 1vph h GLN 15 Cb 1.25 -0.05 -0.29 0.00 0.21 0.00 0.00 27.48 28.61 1vph h GLN 15 CO 0.62 0.18 -0.78 -0.06 -1.93 0.00 0.00 178.83 176.86 1vph s PHE 16 N -6.04 2.83 -0.10 3.99 0.08 -1.26 -1.04 117.98 116.43 1vph s PHE 16 Ca -0.13 -0.94 -0.20 0.00 0.12 0.00 0.00 56.93 55.78 1vph s PHE 16 Cb 0.08 -1.92 0.05 0.00 -0.57 0.00 0.00 43.02 40.65 1vph s PHE 16 CO 0.69 -0.43 0.48 -2.00 -0.10 0.00 0.00 175.22 173.86 1vph s GLU 17 N 0.84 0.72 -0.16 0.44 2.12 -0.00 -4.99 118.70 117.67 1vph s GLU 17 Ca -0.04 0.32 -0.04 0.00 0.36 0.00 0.00 54.97 55.57 1vph s GLU 17 Cb -0.15 0.34 -0.03 0.00 0.26 0.00 0.00 34.13 34.55 1vph s GLU 17 CO 0.00 -0.17 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.03 1vph s LEU 18 N -0.57 3.36 -0.17 2.70 1.43 -1.26 -0.03 118.68 124.14 1vph s LEU 18 Ca -0.07 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1vph s LEU 18 Cb -0.03 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1vph s LEU 18 CO 0.04 0.17 -0.17 -0.69 0.23 0.00 0.00 176.35 175.93 1vph s VAL 19 N 0.38 1.87 -0.23 -1.59 1.01 -0.19 -4.98 120.40 116.67 1vph s VAL 19 Ca -0.03 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 60.82 1vph s VAL 19 Cb -0.14 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1vph s VAL 19 CO 0.02 0.47 0.97 -0.62 0.00 0.00 0.00 175.10 175.94 1vph s ASP 20 N 1.36 7.02 -0.02 3.32 -1.08 -1.26 -0.82 116.67 125.18 1vph s ASP 20 Ca 0.04 1.27 0.06 0.00 -0.52 0.00 0.00 52.55 53.40 1vph s ASP 20 Cb -0.13 -2.51 0.15 0.00 -1.46 0.00 0.00 42.92 38.98 1vph s ASP 20 CO -0.12 -0.60 1.12 2.30 0.52 0.00 0.00 175.17 178.39 1vph n ILE 21 N 5.25 1.14 -0.09 4.11 -5.35 0.34 -4.79 119.36 119.96 1vph n ILE 21 Ca 0.10 -1.15 -0.06 0.00 -0.27 0.00 0.00 62.75 61.36 1vph n ILE 21 Cb 0.47 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 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 0.77 0.49 -0.68 7.28 2.02 -1.90 -1.20 112.91 119.70 1vph h THR 22 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1vph h THR 22 Cb 0.67 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 1vph h THR 22 CO 0.01 0.00 0.41 0.44 0.37 0.00 0.00 175.52 176.75 1vph h ASP 23 N -0.11 0.65 -0.58 4.18 3.32 -1.93 0.25 116.42 122.20 1vph h ASP 23 Ca 0.17 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1vph h ASP 23 Cb 0.38 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1vph h ASP 23 CO -0.41 0.44 0.26 1.56 -1.72 0.00 0.00 179.24 179.36 1vph h GLN 24 N 0.78 0.85 -0.30 3.56 7.50 -1.76 0.04 115.11 125.78 1vph h GLN 24 Ca 0.28 -0.14 -0.02 0.00 0.50 0.00 0.00 58.65 59.28 1vph h GLN 24 Cb 0.08 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.45 1vph h GLN 24 CO -0.13 0.71 0.11 0.28 -1.50 0.00 0.00 178.83 178.29 1vph h VAL 25 N 0.79 1.19 -0.78 -0.54 2.07 -0.74 -2.14 116.25 116.11 1vph h VAL 25 Ca 0.20 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1vph h VAL 25 Cb 0.15 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1vph h VAL 25 CO -0.02 0.20 0.44 -0.33 0.02 0.00 0.00 177.57 177.88 1vph h GLU 26 N 0.33 1.07 -0.76 1.57 5.08 -0.69 -0.45 114.58 120.72 1vph h GLU 26 Ca 0.10 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1vph h GLU 26 Cb 0.21 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1vph h GLU 26 CO -0.01 0.77 0.49 0.37 -1.00 0.00 0.00 179.01 179.64 1vph h GLN 27 N 1.08 1.00 -0.41 2.33 4.15 -0.83 -1.00 115.11 121.43 1vph h GLN 27 Ca 0.28 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.57 1vph h GLN 27 Cb 0.00 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 1vph h GLN 27 CO -0.05 0.67 0.03 0.82 -1.93 0.00 0.00 178.83 178.38 1vph h ILE 28 N 1.03 1.25 -0.43 2.39 2.04 -0.69 0.38 117.51 123.48 1vph h ILE 28 Ca 0.28 -0.95 0.06 0.00 1.00 0.00 0.00 64.86 65.25 1vph h ILE 28 Cb -0.10 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 1vph h ILE 28 CO -0.06 0.32 0.11 0.58 0.00 0.00 0.00 178.15 179.10 1vph h VAL 29 N 0.54 0.80 -0.22 1.67 2.07 -0.85 -1.23 116.25 119.03 1vph h VAL 29 Ca 0.12 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1vph h VAL 29 Cb 0.43 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1vph h VAL 29 CO 0.01 0.05 0.13 -0.08 0.02 0.00 0.00 177.57 177.70 1vph h GLU 30 N 0.25 0.31 -0.20 1.57 4.81 -0.83 -2.89 114.58 117.59 1vph h GLU 30 Ca 0.21 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1vph h GLU 30 Cb 0.24 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1vph h GLU 30 CO -0.25 0.26 0.06 0.87 -0.73 0.00 0.00 179.01 179.22 1vph h LYS 31 N 0.26 0.28 0.00 1.92 6.56 -0.57 -2.61 116.57 122.41 1vph h LYS 31 Ca 0.08 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.62 1vph h LYS 31 Cb 0.04 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 31.64 1vph h LYS 31 CO -0.01 0.26 -0.11 0.66 -2.06 0.00 0.00 179.45 178.18 1vph h SER 32 N 0.28 0.00 0.00 0.86 4.64 -1.01 -3.46 113.55 114.87 1vph h SER 32 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1vph h SER 32 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1vph h SER 32 CO -0.01 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 1vph n GLY 33 N -1.13 0.43 3.74 -0.77 0.00 -0.99 -4.99 105.19 101.49 1vph n GLY 33 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.08 4.38 -0.24 -0.61 1.01 -1.26 -4.98 121.20 117.42 1vph s ILE 34 Ca 0.00 2.01 -0.02 0.00 0.00 0.00 0.00 60.65 62.64 1vph s ILE 34 Cb 0.00 -4.29 -0.18 0.00 0.01 0.00 0.00 42.46 38.00 1vph s ILE 34 CO 0.00 0.40 -0.13 1.17 0.00 0.00 0.00 174.94 176.37 1vph n LYS 35 N 2.29 0.66 -3.77 2.79 0.00 0.18 -4.52 118.16 115.79 1vph n LYS 35 Ca -0.00 0.19 -0.21 0.00 0.00 0.00 0.00 58.31 58.29 1vph n LYS 35 Cb 0.49 -1.56 -0.17 0.00 0.00 0.00 0.00 35.03 33.79 1vph n LYS 35 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1vph s ASN 36 N -6.73 1.25 0.00 3.14 0.01 -0.73 0.40 114.94 112.27 1vph s ASN 36 Ca -0.33 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 51.80 1vph s ASN 36 Cb 0.09 -0.30 0.00 0.00 0.41 0.00 0.00 41.25 41.45 1vph s ASN 36 CO 0.62 -0.20 0.00 0.61 -1.51 0.00 0.00 177.10 176.62 1vph n GLY 37 N 5.04 -0.76 3.22 0.66 0.00 0.18 -1.30 105.19 112.23 1vph n GLY 37 Ca -0.09 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 1.04 -0.18 -0.61 -4.36 0.19 -0.79 121.20 112.50 1vph s ILE 38 Ca 0.00 -1.91 -0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1vph s ILE 38 Cb 0.00 -1.67 0.04 0.00 1.25 0.00 0.00 42.46 42.08 1vph s ILE 38 CO 0.00 -0.70 -0.05 0.00 0.24 0.00 0.00 174.94 174.43 1vph s LEU 40 N 1.60 4.20 -0.19 0.00 2.96 0.26 -0.56 118.68 126.94 1vph s LEU 40 Ca -0.00 0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.31 1vph s LEU 40 Cb -0.16 -2.31 0.02 0.00 0.50 0.00 0.00 46.19 44.24 1vph s LEU 40 CO -0.08 0.07 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.22 1vph s ILE 41 N 0.73 2.28 -0.04 6.68 1.09 -0.24 -1.19 121.20 130.50 1vph s ILE 41 Ca 0.14 -0.88 0.00 0.00 -1.10 0.00 0.00 60.65 58.81 1vph s ILE 41 Cb -0.13 -1.98 0.03 0.00 -1.06 0.00 0.00 42.46 39.31 1vph s ILE 41 CO 0.04 0.51 -0.01 0.12 -0.10 0.00 0.00 174.94 175.49 1vph s PHE 42 N 1.32 0.52 -0.22 3.97 5.36 0.05 -1.74 117.98 127.23 1vph s PHE 42 Ca 0.05 -0.09 -0.05 0.00 -0.96 0.00 0.00 56.93 55.87 1vph s PHE 42 Cb -0.13 -0.57 -0.02 0.00 -0.34 0.00 0.00 43.02 41.95 1vph s PHE 42 CO -0.11 -0.19 0.01 0.54 -1.46 0.00 0.00 175.22 174.01 1vph s VAL 43 N 1.20 3.91 -0.83 3.12 0.11 -0.17 -0.40 120.40 127.33 1vph s VAL 43 Ca -0.07 -0.32 -0.03 0.00 -2.93 0.00 0.00 61.98 58.63 1vph s VAL 43 Cb -0.14 -2.79 0.18 0.00 -1.53 0.00 0.00 36.38 32.11 1vph s VAL 43 CO -0.02 0.40 2.36 0.00 -3.33 0.00 0.00 175.10 174.51 1vph n ALA 44 N 4.62 6.50 -2.77 1.54 0.00 -1.19 -4.82 120.51 124.38 1vph n ALA 44 Ca -0.17 -3.78 -0.09 0.00 0.00 0.00 0.00 53.44 49.40 1vph n ALA 44 Cb 0.51 -2.25 -0.11 0.00 0.00 0.00 0.00 19.45 17.60 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 -2.58 0.35 -2.46 0.00 3.76 -1.26 -4.93 115.29 108.16 1vph s HIS 45 Ca 0.53 -0.65 0.21 0.00 -0.15 0.00 0.00 55.06 55.01 1vph s HIS 45 Cb 0.33 -0.25 0.12 0.00 1.11 0.00 0.00 32.58 33.88 1vph s HIS 45 CO -0.23 -0.22 1.14 -1.13 -0.85 0.00 0.00 174.74 173.44 1vph n SER 46 N 1.25 2.54 -0.06 1.40 3.41 -1.26 -4.24 113.62 116.67 1vph n SER 46 Ca -0.22 -1.77 0.07 0.00 -0.26 0.00 0.00 58.87 56.69 1vph n SER 46 Cb 0.56 0.14 0.09 0.00 -0.26 0.00 0.00 64.21 64.75 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 0.84 1.56 -4.26 6.66 -2.24 -1.26 -4.18 114.28 111.39 1vph n THR 47 Ca 0.11 -1.81 -0.14 0.00 -2.27 0.00 0.00 64.05 59.94 1vph n THR 47 Cb 0.51 0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.22 1.46 0.26 6.98 0.00 -1.26 -2.62 121.76 124.37 1vph s ALA 48 Ca 0.21 -1.67 -0.06 0.00 0.00 0.00 0.00 51.96 50.45 1vph s ALA 48 Cb 0.19 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 1vph s ALA 48 CO 0.02 -0.35 0.37 0.00 0.00 0.00 0.00 175.76 175.80 1vph s ALA 49 N -3.67 0.52 -0.11 0.00 0.00 -0.60 -4.72 121.76 113.18 1vph s ALA 49 Ca 0.28 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1vph s ALA 49 Cb 0.06 1.20 0.01 0.00 0.00 0.00 0.00 23.12 24.39 1vph s ALA 49 CO 0.07 -0.76 -0.18 0.42 0.00 0.00 0.00 175.76 175.31 1vph s ILE 50 N -3.76 1.68 0.25 0.00 -1.09 -0.82 -0.42 121.20 117.04 1vph s ILE 50 Ca 0.30 -0.77 0.01 0.00 -2.23 0.00 0.00 60.65 57.96 1vph s ILE 50 Cb 0.02 -1.51 -0.05 0.00 -1.58 0.00 0.00 42.46 39.34 1vph s ILE 50 CO 0.14 0.48 0.10 0.68 -1.23 0.00 0.00 174.94 175.11 1vph s VAL 51 N 0.78 0.48 -0.05 2.92 -7.23 -0.56 -4.61 120.40 112.13 1vph s VAL 51 Ca -0.10 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 1vph s VAL 51 Cb -0.16 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.19 1vph s VAL 51 CO 0.01 0.00 -0.03 0.00 -0.31 0.00 0.00 175.10 174.77 1vph s ALA 52 N -3.80 0.67 0.00 1.32 0.00 -1.26 -0.60 121.76 118.10 1vph s ALA 52 Ca 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1vph s ALA 52 Cb 0.08 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1vph s ALA 52 CO 0.14 -0.16 0.00 -1.71 0.00 0.00 0.00 175.76 174.03 1vph n ASN 53 N 4.39 0.00 -4.72 0.00 2.85 -0.22 -4.83 115.26 112.74 1vph n ASN 53 Ca -0.20 -0.32 -0.42 0.00 -0.11 0.00 0.00 54.58 53.54 1vph n ASN 53 Cb 0.51 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.49 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 0.04 4.62 -1.17 1.20 2.12 -0.89 0.49 118.70 125.12 1vph s GLU 54 Ca 0.00 1.46 -0.20 0.00 0.36 0.00 0.00 54.97 56.59 1vph s GLU 54 Cb 0.00 -3.41 0.06 0.00 0.26 0.00 0.00 34.13 31.04 1vph s GLU 54 CO 0.00 0.07 1.60 -1.58 -0.54 0.00 0.00 175.26 174.81 1vph s HIS 55 N 0.49 2.68 -0.06 5.30 5.65 -1.26 -4.66 115.29 123.43 1vph s HIS 55 Ca 0.50 -1.27 0.01 0.00 0.25 0.00 0.00 55.06 54.54 1vph s HIS 55 Cb -0.23 -4.73 0.02 0.00 -1.18 0.00 0.00 32.58 26.47 1vph s HIS 55 CO 0.29 -1.86 -0.05 -2.00 -0.65 0.00 0.00 174.74 170.47 1vph s GLU 56 N 4.54 0.92 0.40 2.88 -6.30 -1.26 -5.05 118.70 114.83 1vph s GLU 56 Ca 0.50 -0.11 0.08 0.00 -2.50 0.00 0.00 54.97 52.95 1vph s GLU 56 Cb 0.02 -0.97 0.84 0.00 0.00 0.00 0.00 34.13 34.02 1vph s GLU 56 CO -0.00 -0.12 2.00 0.07 0.02 0.00 0.00 175.26 177.22 1vph h ARG 57 N 7.43 0.38 0.04 4.30 0.11 -1.99 -0.13 114.38 124.52 1vph h ARG 57 Ca -0.33 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 59.69 1vph h ARG 57 Cb 1.15 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.16 1vph h ARG 57 CO 0.43 0.35 -0.02 0.78 0.10 0.00 0.00 179.97 181.61 1vph h GLY 58 N 0.59 -0.06 1.05 0.08 0.00 -1.97 -1.34 103.07 101.41 1vph h GLY 58 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1vph h GLY 58 CO -0.00 -0.02 0.54 -2.00 0.00 0.00 0.00 176.54 175.06 1vph h LEU 59 N -0.14 1.12 -0.80 3.11 5.85 -1.74 -0.42 115.31 122.29 1vph h LEU 59 Ca -0.01 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1vph h LEU 59 Cb 0.13 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1vph h LEU 59 CO 0.01 0.86 0.51 0.24 -0.34 0.00 0.00 178.44 179.72 1vph h MET 60 N 1.27 0.96 -0.35 1.25 2.86 -0.85 0.39 114.93 120.46 1vph h MET 60 Ca 0.33 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 1vph h MET 60 Cb -0.04 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.39 1vph h MET 60 CO -0.06 0.63 0.14 0.93 1.06 0.00 0.00 176.91 179.61 1vph h GLU 61 N 0.98 0.52 -0.46 1.72 5.08 -0.52 -2.75 114.58 119.16 1vph h GLU 61 Ca 0.32 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1vph h GLU 61 Cb 0.02 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 1vph h GLU 61 CO -0.12 0.51 0.11 -0.44 -1.00 0.00 0.00 179.01 178.08 1vph h ASP 62 N 0.42 0.05 -0.34 1.42 3.32 -0.54 0.05 116.42 120.80 1vph h ASP 62 Ca 0.12 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.29 1vph h ASP 62 Cb 0.19 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 1vph h ASP 62 CO -0.01 0.06 0.07 0.40 -1.72 0.00 0.00 179.24 178.04 1vph h ILE 63 N 0.26 0.84 -0.32 0.35 2.04 -0.81 0.52 117.51 120.38 1vph h ILE 63 Ca 0.22 -0.07 -0.09 0.00 1.00 0.00 0.00 64.86 65.92 1vph h ILE 63 Cb 0.27 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1vph h ILE 63 CO -0.27 0.04 -0.19 -0.07 0.00 0.00 0.00 178.15 177.65 1vph h LEU 64 N 0.19 0.59 -0.30 1.44 3.38 -1.16 -0.63 115.31 118.83 1vph h LEU 64 Ca 0.16 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1vph h LEU 64 Cb 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1vph h LEU 64 CO -0.20 0.79 0.07 0.74 0.09 0.00 0.00 178.44 179.93 1vph h THR 65 N 0.53 1.22 -0.30 0.22 2.02 -0.57 -0.29 112.91 115.75 1vph h THR 65 Ca 0.08 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1vph h THR 65 Cb 0.63 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1vph h THR 65 CO 0.04 0.24 0.11 0.50 0.37 0.00 0.00 175.52 176.78 1vph h LYS 66 N 0.32 0.46 -0.32 6.66 1.63 -0.70 -1.15 116.57 123.47 1vph h LYS 66 Ca 0.09 -0.09 0.06 0.00 -0.85 0.00 0.00 60.65 59.87 1vph h LYS 66 Cb 0.29 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.79 1vph h LYS 66 CO 0.00 0.49 -0.07 0.82 -3.45 0.00 0.00 179.45 177.23 1vph h ILE 67 N 0.33 0.69 -0.40 2.00 2.04 -1.01 -0.10 117.51 121.06 1vph h ILE 67 Ca 0.10 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.98 1vph h ILE 67 Cb 0.21 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1vph h ILE 67 CO -0.01 0.00 0.23 0.11 0.00 0.00 0.00 178.15 178.49 1vph h LYS 68 N 0.01 0.46 -0.48 2.37 1.57 -0.86 0.37 116.57 120.01 1vph h LYS 68 Ca 0.15 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1vph h LYS 68 Cb 0.23 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1vph h LYS 68 CO -0.32 0.31 0.06 0.93 -0.57 0.00 0.00 179.45 179.85 1vph h GLU 69 N 0.48 0.75 -0.25 3.15 5.08 -0.91 -1.18 114.58 121.69 1vph h GLU 69 Ca 0.16 -0.17 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 1vph h GLU 69 Cb 0.01 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1vph h GLU 69 CO -0.08 0.73 -0.55 0.35 -1.00 0.00 0.00 179.01 178.46 1vph h PHE 70 N 0.72 0.96 0.00 4.33 3.57 -0.66 -3.34 116.94 122.52 1vph h PHE 70 Ca 0.15 -0.34 -0.00 0.00 3.53 0.00 0.00 57.97 61.31 1vph h PHE 70 Cb 0.35 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1vph h PHE 70 CO 0.02 1.14 -1.26 0.25 -2.23 0.00 0.00 178.31 176.23 1vph n THR 71 N -3.99 0.47 -3.06 4.41 -2.24 0.09 -5.04 114.28 104.92 1vph n THR 71 Ca -0.04 -0.54 -0.05 0.00 -2.27 0.00 0.00 64.05 61.16 1vph n THR 71 Cb 0.62 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.57 -1.63 0.17 -0.78 1.02 -0.46 -4.41 120.64 111.97 1vph n GLU 72 Ca -0.01 1.62 0.16 0.00 -0.02 0.00 0.00 57.16 58.91 1vph n GLU 72 Cb 0.56 -5.45 0.75 0.00 -0.02 0.00 0.00 31.44 27.28 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 0.87 0.00 -0.01 3.49 0.11 -1.94 -1.18 132.00 133.34 1vph h PRO 73 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1vph h PRO 73 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1vph h PRO 73 CO 0.28 0.00 -0.15 0.43 -0.21 0.00 0.00 178.00 178.34 1vph n SER 74 N -4.15 0.65 -4.79 -2.05 7.64 -1.26 -4.92 113.62 104.74 1vph n SER 74 Ca 0.02 -0.68 -0.35 0.00 1.01 0.00 0.00 58.87 58.87 1vph n SER 74 Cb 0.33 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 1vph n SER 74 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1vph s ARG 75 N -2.48 4.17 -1.53 1.43 3.52 -0.45 -4.95 118.95 118.66 1vph s ARG 75 Ca 0.28 1.35 -0.10 0.00 -0.13 0.00 0.00 55.73 57.13 1vph s ARG 75 Cb 0.20 -2.40 -0.08 0.00 -1.56 0.00 0.00 34.95 31.11 1vph s ARG 75 CO 0.49 -0.11 2.83 0.43 -0.81 0.00 0.00 175.30 178.13 1vph n SER 76 N -0.29 8.12 -4.70 -2.12 7.64 -1.26 -4.97 113.62 116.04 1vph n SER 76 Ca 0.06 -2.55 -0.39 0.00 1.01 0.00 0.00 58.87 57.00 1vph n SER 76 Cb 0.51 -1.50 0.04 0.00 -1.01 0.00 0.00 64.21 62.25 1vph n SER 76 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1vph n TRP 77 N 3.76 1.80 0.01 1.43 7.02 -1.26 -4.91 117.44 125.28 1vph n TRP 77 Ca 0.74 0.45 0.02 0.00 -1.02 0.00 0.00 57.50 57.68 1vph n TRP 77 Cb 0.22 -2.29 0.35 0.00 -2.42 0.00 0.00 31.31 27.18 1vph n TRP 77 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1vph h LYS 78 N 1.16 0.52 0.00 -0.99 6.56 -2.01 -0.81 116.57 120.99 1vph h LYS 78 Ca -0.49 -0.08 -0.01 0.00 -1.06 0.00 0.00 60.65 59.01 1vph h LYS 78 Cb 1.32 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 32.89 1vph h LYS 78 CO 0.55 0.47 -0.05 1.25 -2.06 0.00 0.00 179.45 179.61 1vph h HIS 79 N 0.51 0.00 0.00 -1.35 -0.00 -1.91 -2.71 115.15 109.69 1vph h HIS 79 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 1vph h HIS 79 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 1vph h HIS 79 CO 0.01 0.05 0.00 -0.91 -0.00 0.00 0.00 177.93 177.07 1vph h ASN 80 N 0.00 0.00 -0.69 3.26 2.35 -1.26 -0.21 115.58 119.04 1vph h ASN 80 Ca -0.00 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1vph h ASN 80 Cb 0.25 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 1vph h ASN 80 CO 0.01 0.00 0.45 -0.07 -1.65 0.00 0.00 177.43 176.17 1vph h LEU 81 N 0.00 0.47 0.00 1.61 3.38 -1.62 -3.30 115.31 115.85 1vph h LEU 81 Ca 0.00 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 1vph h LEU 81 Cb 0.36 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1vph h LEU 81 CO 0.00 0.28 -1.10 -0.38 0.09 0.00 0.00 178.44 177.33 1vph n ILE 82 N -4.48 1.49 -3.80 1.22 5.41 -0.12 -4.99 119.36 114.09 1vph n ILE 82 Ca 0.12 0.03 -0.12 0.00 1.00 0.00 0.00 62.75 63.78 1vph n ILE 82 Cb 0.38 -2.16 -0.11 0.00 -0.71 0.00 0.00 39.64 37.04 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 -6.49 -0.19 -0.22 4.38 -1.08 -0.99 -5.06 116.67 107.02 1vph s ASP 83 Ca -0.25 0.27 -0.05 0.00 -0.52 0.00 0.00 52.55 52.01 1vph s ASP 83 Cb 0.05 0.41 -0.09 0.00 -1.46 0.00 0.00 42.92 41.83 1vph s ASP 83 CO 0.45 -0.22 3.12 -0.90 0.52 0.00 0.00 175.17 178.14 1vph n ASP 84 N 2.30 5.84 -0.79 -0.34 5.75 -1.26 -3.91 116.55 124.15 1vph n ASP 84 Ca -0.17 -2.83 0.05 0.00 -0.01 0.00 0.00 54.79 51.83 1vph n ASP 84 Cb 0.57 -1.31 0.08 0.00 -1.03 0.00 0.00 41.12 39.44 1vph n ASP 84 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1vph n ASN 85 N 1.65 1.18 -0.27 -1.12 0.23 -1.26 -4.84 115.26 110.83 1vph n ASN 85 Ca 0.43 -2.67 0.06 0.00 -0.53 0.00 0.00 54.58 51.87 1vph n ASN 85 Cb 0.73 -0.36 0.20 0.00 -2.08 0.00 0.00 39.78 38.27 1vph n ASN 85 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vph h ALA 86 N 0.59 1.11 -0.73 -2.53 0.00 -1.88 -0.85 119.26 114.96 1vph h ALA 86 Ca -0.08 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1vph h ALA 86 Cb 1.40 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 1vph h ALA 86 CO 0.03 -0.19 0.48 1.12 0.00 0.00 0.00 179.25 180.69 1vph h HIS 87 N 0.47 0.76 -0.44 0.00 2.07 -1.86 -0.54 115.15 115.62 1vph h HIS 87 Ca 0.43 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.94 1vph h HIS 87 Cb 0.65 -0.25 -0.02 0.00 2.57 0.00 0.00 27.41 30.36 1vph h HIS 87 CO -0.15 0.40 0.16 0.00 -3.07 0.00 0.00 177.93 175.26 1vph h ALA 88 N 1.61 0.57 -0.51 6.11 0.00 -1.40 -1.43 119.26 124.22 1vph h ALA 88 Ca 0.32 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1vph h ALA 88 Cb 0.28 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1vph h ALA 88 CO -0.11 0.20 0.29 0.45 0.00 0.00 0.00 179.25 180.08 1vph h HIS 89 N 0.57 0.54 -0.50 0.00 3.86 -1.05 -1.31 115.15 117.25 1vph h HIS 89 Ca 0.14 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 1vph h HIS 89 Cb 0.23 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1vph h HIS 89 CO 0.01 0.29 0.17 -0.07 0.86 0.00 0.00 177.93 179.19 1vph h LEU 90 N 0.57 0.71 -0.22 2.43 3.38 -0.93 0.18 115.31 121.43 1vph h LEU 90 Ca 0.21 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1vph h LEU 90 Cb 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1vph h LEU 90 CO -0.11 0.72 0.09 1.23 0.09 0.00 0.00 178.44 180.46 1vph h GLY 91 N 0.67 0.28 1.01 0.83 0.00 -1.12 -1.83 103.07 102.91 1vph h GLY 91 Ca 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 1vph h GLY 91 CO -0.01 0.04 0.27 0.00 0.00 0.00 0.00 176.54 176.84 1vph h ALA 92 N 1.13 0.87 -0.14 3.60 0.00 -1.08 0.14 119.26 123.78 1vph h ALA 92 Ca 0.09 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1vph h ALA 92 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1vph h ALA 92 CO -0.09 0.49 0.03 1.15 0.00 0.00 0.00 179.25 180.83 1vph h THR 93 N 0.95 0.94 -0.31 0.00 2.02 -0.69 0.77 112.91 116.59 1vph h THR 93 Ca 0.22 -0.03 -0.16 0.00 0.77 0.00 0.00 66.41 67.21 1vph h THR 93 Cb 0.21 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1vph h THR 93 CO -0.02 0.02 -0.44 -0.26 0.37 0.00 0.00 175.52 175.18 1vph h PHE 94 N 0.09 0.95 0.21 3.16 -1.00 -1.03 -3.32 116.94 116.01 1vph h PHE 94 Ca 0.06 -0.30 -0.32 0.00 2.81 0.00 0.00 57.97 60.22 1vph h PHE 94 Cb 0.05 -0.19 0.03 0.00 3.61 0.00 0.00 35.95 39.45 1vph h PHE 94 CO -0.12 1.09 -1.42 -0.07 -1.61 0.00 0.00 178.31 176.17 1vph h LEU 95 N 0.63 0.70 0.00 1.54 3.38 -0.63 -3.50 115.31 117.43 1vph h LEU 95 Ca 0.04 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1vph h LEU 95 Cb 1.01 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1vph h LEU 95 CO 0.10 1.60 0.00 0.61 0.09 0.00 0.00 178.44 180.84 1vph n GLY 96 N 1.67 1.61 0.11 0.83 0.00 0.25 -4.82 105.19 104.84 1vph n GLY 96 Ca -0.15 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.32 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 1.59 3.04 -2.58 4.61 0.00 -1.26 -1.95 120.51 123.95 1vph n ALA 97 Ca 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 1vph n ALA 97 Cb 0.00 -1.22 -0.10 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.68 0.48 0.10 0.00 1.03 -1.26 -1.00 118.70 115.36 1vph s GLU 98 Ca 0.21 -0.88 0.05 0.00 0.03 0.00 0.00 54.97 54.38 1vph s GLU 98 Cb 0.19 0.17 -0.03 0.00 -0.80 0.00 0.00 34.13 33.65 1vph s GLU 98 CO 0.56 -0.09 -0.13 1.03 -1.33 0.00 0.00 175.26 175.30 1vph s ARG 99 N -2.63 0.92 -0.09 -4.83 1.81 -0.71 -4.85 118.95 108.56 1vph s ARG 99 Ca -0.05 -1.13 0.03 0.00 -1.72 0.00 0.00 55.73 52.85 1vph s ARG 99 Cb -0.01 -0.79 0.01 0.00 -0.45 0.00 0.00 34.95 33.71 1vph s ARG 99 CO -0.05 0.15 -0.17 0.08 -0.68 0.00 0.00 175.30 174.63 1vph s VAL 100 N -1.94 1.57 0.09 3.52 1.01 -1.26 -1.08 120.40 122.31 1vph s VAL 100 Ca 0.05 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1vph s VAL 100 Cb -0.06 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1vph s VAL 100 CO 0.02 0.45 -0.17 -0.36 0.00 0.00 0.00 175.10 175.04 1vph s PHE 101 N 0.70 2.56 0.54 5.22 0.40 0.28 -4.97 117.98 122.71 1vph s PHE 101 Ca -0.12 -0.25 -0.19 0.00 -0.60 0.00 0.00 56.93 55.77 1vph s PHE 101 Cb -0.16 -1.39 -0.06 0.00 0.51 0.00 0.00 43.02 41.92 1vph s PHE 101 CO 0.03 0.35 1.09 -2.14 0.70 0.00 0.00 175.22 175.25 1vph s PRO 102 N -1.93 3.46 -0.15 0.24 0.02 -1.26 -0.69 135.00 134.68 1vph s PRO 102 Ca 0.17 1.47 0.01 0.00 0.02 0.00 0.00 61.00 62.67 1vph s PRO 102 Cb -0.11 -2.03 0.01 0.00 0.02 0.00 0.00 34.50 32.39 1vph s PRO 102 CO 0.09 -0.73 -0.18 0.08 -0.33 0.00 0.00 177.00 175.92 1vph s VAL 103 N -1.96 2.38 -0.07 3.83 1.01 0.03 -0.64 120.40 124.99 1vph s VAL 103 Ca 0.70 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1vph s VAL 103 Cb -0.20 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.23 1vph s VAL 103 CO 0.27 0.53 0.14 -0.60 0.00 0.00 0.00 175.10 175.44 1vph s ARG 104 N 0.90 0.08 -1.59 2.72 3.52 -0.10 -0.65 118.95 123.83 1vph s ARG 104 Ca -0.04 0.38 -0.15 0.00 -0.13 0.00 0.00 55.73 55.79 1vph s ARG 104 Cb -0.15 -0.19 0.11 0.00 -1.56 0.00 0.00 34.95 33.16 1vph s ARG 104 CO -0.03 -0.18 0.89 0.39 -0.81 0.00 0.00 175.30 175.57 1vph n GLU 105 N 4.29 -4.56 -0.98 5.12 4.71 -0.50 -1.58 120.64 127.13 1vph n GLU 105 Ca -0.25 0.51 0.00 0.00 -0.01 0.00 0.00 57.16 57.41 1vph n GLU 105 Cb 0.51 -5.31 0.00 0.00 -1.01 0.00 0.00 31.44 25.63 1vph n GLU 105 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1vph n GLY 106 N -1.58 0.94 3.43 0.62 0.00 0.16 -5.02 105.19 103.75 1vph n GLY 106 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1vph n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vph s LYS 107 N -0.02 2.13 0.04 1.61 1.02 -0.62 -4.79 119.74 119.12 1vph s LYS 107 Ca 0.00 -0.93 -0.30 0.00 0.02 0.00 0.00 55.97 54.75 1vph s LYS 107 Cb 0.00 -2.19 -0.08 0.00 -0.52 0.00 0.00 37.83 35.04 1vph s LYS 107 CO 0.00 0.56 1.68 -1.17 -0.92 0.00 0.00 175.35 175.49 1vph s LEU 108 N -1.20 4.36 -0.35 3.17 2.96 -1.26 -0.92 118.68 125.44 1vph s LEU 108 Ca 0.13 2.45 -0.26 0.00 -0.22 0.00 0.00 54.13 56.23 1vph s LEU 108 Cb -0.10 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.04 1vph s LEU 108 CO 0.03 -0.91 0.95 -0.69 -1.32 0.00 0.00 176.35 174.42 1vph s VAL 109 N 3.04 4.58 0.08 1.68 1.01 0.19 -4.92 120.40 126.07 1vph s VAL 109 Ca 0.75 1.34 -0.25 0.00 0.00 0.00 0.00 61.98 63.83 1vph s VAL 109 Cb -0.39 -4.34 0.07 0.00 0.00 0.00 0.00 36.38 31.72 1vph s VAL 109 CO 0.32 -0.49 0.60 0.00 0.00 0.00 0.00 175.10 175.53 1vph s ARG 110 N 3.47 1.17 0.73 2.72 1.70 -1.26 -4.39 118.95 123.09 1vph s ARG 110 Ca 0.40 -0.25 -0.11 0.00 -0.47 0.00 0.00 55.73 55.29 1vph s ARG 110 Cb -0.12 0.54 0.03 0.00 -0.57 0.00 0.00 34.95 34.83 1vph s ARG 110 CO 0.17 -0.46 1.07 0.20 -1.08 0.00 0.00 175.30 175.20 1vph s GLY 111 N -2.22 1.65 0.30 3.88 0.00 -1.26 -4.92 107.32 104.75 1vph s GLY 111 Ca -0.03 -0.04 0.06 0.00 0.00 0.00 0.00 44.72 44.71 1vph s GLY 111 CO -0.05 0.31 1.73 -0.84 0.00 0.00 0.00 173.10 174.25 1vph h THR 112 N -0.83 0.56 -0.46 0.90 2.02 -2.03 -1.23 112.91 111.84 1vph h THR 112 Ca -0.45 -0.19 -0.20 0.00 0.77 0.00 0.00 66.41 66.34 1vph h THR 112 Cb 1.23 -0.04 -0.12 0.00 -1.74 0.00 0.00 68.15 67.49 1vph h THR 112 CO 0.58 0.10 0.07 0.79 0.37 0.00 0.00 175.52 177.43 1vph n TRP 113 N -4.92 1.44 -3.64 3.16 8.01 -1.26 -4.83 117.44 115.40 1vph n TRP 113 Ca 0.24 -1.48 -0.37 0.00 -1.31 0.00 0.00 57.50 54.57 1vph n TRP 113 Cb 0.65 -0.54 -0.07 0.00 -2.01 0.00 0.00 31.31 29.34 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 -3.16 3.00 0.21 -0.99 0.74 -0.47 -2.09 119.66 116.90 1vph s GLN 114 Ca 0.47 -2.86 0.01 0.00 0.05 0.00 0.00 55.36 53.03 1vph s GLN 114 Cb 0.41 -3.91 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 1vph s GLN 114 CO 0.04 -1.23 0.37 -0.80 -0.55 0.00 0.00 175.29 173.13 1vph s ASN 115 N 0.47 6.35 -0.24 6.67 -0.87 0.18 -4.63 114.94 122.88 1vph s ASN 115 Ca 0.22 0.29 -0.10 0.00 -1.57 0.00 0.00 52.86 51.70 1vph s ASN 115 Cb -0.14 -1.96 -0.05 0.00 -0.02 0.00 0.00 41.25 39.08 1vph s ASN 115 CO -0.08 -0.05 0.15 -0.63 -2.57 0.00 0.00 177.10 173.92 1vph s ILE 116 N -1.89 5.20 -0.05 0.60 1.01 -1.26 -1.05 121.20 123.76 1vph s ILE 116 Ca 0.37 0.12 0.06 0.00 0.00 0.00 0.00 60.65 61.20 1vph s ILE 116 Cb -0.11 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 1vph s ILE 116 CO 0.30 0.34 -0.23 -0.36 0.00 0.00 0.00 174.94 174.99 1vph s PHE 117 N 1.13 2.20 0.02 3.97 0.40 0.23 -0.51 117.98 125.43 1vph s PHE 117 Ca 0.07 -0.60 -0.30 0.00 -0.60 0.00 0.00 56.93 55.50 1vph s PHE 117 Cb -0.14 -1.45 -0.05 0.00 0.51 0.00 0.00 43.02 41.90 1vph s PHE 117 CO 0.05 -0.17 1.20 -1.17 0.70 0.00 0.00 175.22 175.83 1vph s LEU 118 N -0.21 4.34 -0.38 -0.37 2.96 -0.00 -1.50 118.68 123.51 1vph s LEU 118 Ca -0.01 1.94 -0.13 0.00 -0.22 0.00 0.00 54.13 55.71 1vph s LEU 118 Cb -0.12 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.01 1vph s LEU 118 CO 0.02 -0.50 0.25 -0.69 -1.32 0.00 0.00 176.35 174.11 1vph s VAL 119 N 1.47 4.95 -0.24 1.68 1.01 0.44 -1.02 120.40 128.68 1vph s VAL 119 Ca 0.58 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 1vph s VAL 119 Cb -0.28 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1vph s VAL 119 CO 0.27 -0.23 0.38 -0.70 0.00 0.00 0.00 175.10 174.82 1vph s GLU 120 N 1.63 4.09 0.00 2.72 2.56 0.96 -1.56 118.70 129.10 1vph s GLU 120 Ca 0.04 0.11 0.05 0.00 0.00 0.00 0.00 54.97 55.17 1vph s GLU 120 Cb -0.19 -3.59 0.03 0.00 2.00 0.00 0.00 34.13 32.38 1vph s GLU 120 CO 0.08 -0.15 0.60 1.28 -0.56 0.00 0.00 175.26 176.51 1vph n LEU 121 N 4.89 1.26 -2.73 2.70 4.77 -1.08 -0.82 117.00 125.98 1vph n LEU 121 Ca -0.09 -0.95 -0.05 0.00 -0.03 0.00 0.00 56.01 54.90 1vph n LEU 121 Cb 0.51 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.66 1vph n LEU 121 CO 0.38 0.27 0.07 -0.67 -1.33 0.00 0.00 177.39 176.12 1vph n ASP 122 N 0.11 0.79 -4.36 -1.43 2.03 -0.82 -4.54 116.55 108.34 1vph n ASP 122 Ca 0.03 -2.38 -0.29 0.00 0.52 0.00 0.00 54.79 52.66 1vph n ASP 122 Cb 0.11 -0.20 0.15 0.00 -0.72 0.00 0.00 41.12 40.46 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 -2.94 1.75 0.44 0.27 0.00 -0.21 -4.60 107.32 102.03 1vph s GLY 123 Ca 0.25 -1.17 -0.22 0.00 0.00 0.00 0.00 44.72 43.57 1vph s GLY 123 CO -0.02 -0.49 1.06 2.56 0.00 0.00 0.00 173.10 176.21 1vph s PRO 124 N -5.71 3.95 -0.02 2.90 0.04 -1.25 -3.76 135.00 131.15 1vph s PRO 124 Ca 0.70 1.48 0.02 0.00 0.04 0.00 0.00 61.00 63.24 1vph s PRO 124 Cb -0.05 -2.33 -0.00 0.00 0.04 0.00 0.00 34.50 32.16 1vph s PRO 124 CO 0.51 -0.32 -0.09 1.03 0.04 0.00 0.00 177.00 178.17 1vph s ARG 125 N -2.84 0.83 0.18 4.56 1.81 -0.99 -4.97 118.95 117.54 1vph s ARG 125 Ca 0.63 -0.30 0.06 0.00 -1.72 0.00 0.00 55.73 54.40 1vph s ARG 125 Cb -0.20 -0.79 0.05 0.00 -0.45 0.00 0.00 34.95 33.55 1vph s ARG 125 CO 0.25 0.14 1.42 0.66 -0.68 0.00 0.00 175.30 177.09 1vph h SER 126 N 6.22 0.12 -2.51 0.23 4.64 -1.86 0.11 113.55 120.49 1vph h SER 126 Ca -0.32 -0.09 -0.39 0.00 -0.47 0.00 0.00 61.79 60.52 1vph h SER 126 Cb 1.17 -0.04 -0.36 0.00 -0.31 0.00 0.00 62.40 62.86 1vph h SER 126 CO 0.49 0.89 -0.68 -0.70 -0.87 0.00 0.00 176.83 175.96 1vph s GLU 127 N -3.20 0.22 -0.18 4.77 2.12 -1.26 -3.86 118.70 117.32 1vph s GLU 127 Ca -0.01 -0.12 -0.15 0.00 0.36 0.00 0.00 54.97 55.05 1vph s GLU 127 Cb 0.11 -1.07 -0.04 0.00 0.26 0.00 0.00 34.13 33.38 1vph s GLU 127 CO 0.81 -0.87 0.35 1.03 -0.54 0.00 0.00 175.26 176.04 1vph s ARG 128 N 2.26 4.22 -0.34 4.30 1.81 0.15 -4.92 118.95 126.44 1vph s ARG 128 Ca 0.08 0.16 -0.10 0.00 -1.72 0.00 0.00 55.73 54.15 1vph s ARG 128 Cb -0.15 -3.49 0.01 0.00 -0.45 0.00 0.00 34.95 30.87 1vph s ARG 128 CO -0.25 0.09 0.17 -1.58 -0.68 0.00 0.00 175.30 173.05 1vph s HIS 129 N 0.92 3.20 -0.17 -0.53 5.65 -1.26 -0.75 115.29 122.36 1vph s HIS 129 Ca 0.18 -0.75 -0.05 0.00 0.25 0.00 0.00 55.06 54.69 1vph s HIS 129 Cb -0.14 -2.38 -0.03 0.00 -1.18 0.00 0.00 32.58 28.84 1vph s HIS 129 CO 0.06 -0.54 0.01 0.42 -0.65 0.00 0.00 174.74 174.04 1vph s ILE 130 N 1.58 4.30 -0.16 0.89 1.01 0.58 -3.18 121.20 126.21 1vph s ILE 130 Ca 0.03 -0.21 -0.14 0.00 0.00 0.00 0.00 60.65 60.33 1vph s ILE 130 Cb -0.18 -2.91 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 1vph s ILE 130 CO 0.06 0.48 0.29 -0.89 0.00 0.00 0.00 174.94 174.88 1vph s THR 131 N 0.33 5.31 -0.19 2.92 2.01 0.46 -0.52 115.64 125.96 1vph s THR 131 Ca -0.01 0.54 -0.01 0.00 0.31 0.00 0.00 61.69 62.53 1vph s THR 131 Cb -0.13 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.76 1vph s THR 131 CO 0.02 0.39 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.50 1vph s VAL 132 N 0.49 2.54 -0.13 3.82 1.01 -0.34 -0.77 120.40 127.00 1vph s VAL 132 Ca 0.16 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1vph s VAL 132 Cb -0.13 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1vph s VAL 132 CO 0.04 0.50 -0.21 -0.70 0.00 0.00 0.00 175.10 174.72 1vph s GLU 133 N 1.31 2.91 -0.16 2.72 2.12 -0.33 -0.77 118.70 126.49 1vph s GLU 133 Ca 0.04 -0.82 -0.04 0.00 0.36 0.00 0.00 54.97 54.52 1vph s GLU 133 Cb -0.14 -2.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.89 1vph s GLU 133 CO -0.09 0.00 -0.03 0.42 -0.54 0.00 0.00 175.26 175.03 1vph s ILE 134 N 0.78 3.91 -0.04 -3.70 -1.09 0.47 -0.58 121.20 120.95 1vph s ILE 134 Ca -0.08 -0.35 0.02 0.00 -2.23 0.00 0.00 60.65 58.01 1vph s ILE 134 Cb -0.16 -2.72 0.01 0.00 -1.58 0.00 0.00 42.46 38.01 1vph s ILE 134 CO -0.01 0.48 -0.08 -0.22 -1.23 0.00 0.00 174.94 173.89 1vph s LEU 135 N 0.48 1.57 0.00 2.97 0.20 -0.47 0.01 118.68 123.43 1vph s LEU 135 Ca -0.03 -0.19 0.00 0.00 0.69 0.00 0.00 54.13 54.60 1vph s LEU 135 Cb -0.14 -0.58 0.00 0.00 -0.43 0.00 0.00 46.19 45.04 1vph s LEU 135 CO 0.03 0.01 0.00 0.61 -0.29 0.00 0.00 176.35 176.70 1vph n GLY 136 N 3.73 -0.30 0.06 7.98 0.00 -0.29 -0.64 105.19 115.74 1vph n GLY 136 Ca -0.23 -1.03 0.01 0.00 0.00 0.00 0.00 46.02 44.78 1vph n GLY 136 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48