#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tvi s ILE 2 N 0.00 2.27 -0.38 3.17 1.09 -1.26 -4.65 121.20 121.44 1tvi s ILE 2 Ca 0.00 -2.16 -0.17 0.00 -1.10 0.00 0.00 60.65 57.22 1tvi s ILE 2 Cb 0.00 -2.14 0.00 0.00 -1.06 0.00 0.00 42.46 39.27 1tvi s ILE 2 CO 0.00 -0.28 0.44 -0.13 -0.10 0.00 0.00 174.94 174.87 1tvi s ARG 3 N -3.06 3.38 -0.38 2.79 3.00 -0.09 -4.99 118.95 119.60 1tvi s ARG 3 Ca 0.23 -0.49 -0.05 0.00 0.00 0.00 0.00 55.73 55.42 1tvi s ARG 3 Cb -0.06 -3.88 0.07 0.00 0.00 0.00 0.00 34.95 31.09 1tvi s ARG 3 CO 0.11 -0.71 0.16 0.42 0.00 0.00 0.00 175.30 175.29 1tvi s ILE 4 N 2.20 3.63 0.35 1.52 1.01 -1.26 -0.65 121.20 128.00 1tvi s ILE 4 Ca 0.14 -1.54 0.09 0.00 0.00 0.00 0.00 60.65 59.35 1tvi s ILE 4 Cb -0.16 -3.24 -0.06 0.00 0.01 0.00 0.00 42.46 39.00 1tvi s ILE 4 CO 0.13 -0.42 -0.07 -1.48 0.00 0.00 0.00 174.94 173.10 1tvi s LEU 5 N 1.31 2.79 0.00 2.97 2.34 0.17 -4.95 118.68 123.30 1tvi s LEU 5 Ca 0.02 -1.17 0.00 0.00 0.06 0.00 0.00 54.13 53.04 1tvi s LEU 5 Cb -0.22 -1.06 0.00 0.00 -0.56 0.00 0.00 46.19 44.35 1tvi s LEU 5 CO -0.00 -0.22 0.00 0.61 -1.06 0.00 0.00 176.35 175.67 1tvi n GLY 6 N -0.83 -1.81 3.18 -3.48 0.00 -1.26 -1.27 105.19 99.72 1tvi n GLY 6 Ca -0.05 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 1tvi n GLY 6 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tvi s GLU 7 N 0.00 0.34 0.00 1.61 2.02 0.20 -4.68 118.70 118.18 1tvi s GLU 7 Ca 0.00 0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.45 1tvi s GLU 7 Cb 0.00 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.35 1tvi s GLU 7 CO 0.00 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.62 1tvi n GLY 8 N 3.19 4.54 3.22 -1.39 0.00 -1.26 -3.58 105.19 109.91 1tvi n GLY 8 Ca -0.15 -0.92 -0.47 0.00 0.00 0.00 0.00 46.02 44.48 1tvi n GLY 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1tvi n LYS 9 N -1.73 0.00 0.00 1.61 4.81 -1.26 -2.85 118.16 118.73 1tvi n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1tvi n LYS 9 Cb 0.00 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 33.62 1tvi n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tvi n GLY 10 N 6.59 0.66 0.25 3.14 0.00 -1.26 -4.70 105.19 109.87 1tvi n GLY 10 Ca 0.58 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.46 1tvi n GLY 10 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tvi h SER 11 N 0.00 -0.61 -0.04 1.61 4.64 -1.93 0.77 113.55 117.99 1tvi h SER 11 Ca 0.00 0.08 -0.22 0.00 -0.47 0.00 0.00 61.79 61.18 1tvi h SER 11 Cb 0.00 0.24 0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1tvi h SER 11 CO 0.00 -0.29 -0.83 0.07 -0.87 0.00 0.00 176.83 174.91 1tvi h LYS 12 N -0.38 0.63 -1.08 4.77 2.10 -1.95 -2.76 116.57 117.90 1tvi h LYS 12 Ca 0.04 -0.63 0.29 0.00 -2.00 0.00 0.00 60.65 58.35 1tvi h LYS 12 Cb 0.42 0.17 -0.08 0.00 -0.90 0.00 0.00 32.23 31.84 1tvi h LYS 12 CO -0.15 1.23 0.72 1.25 -2.00 0.00 0.00 179.45 180.51 1tvi h LEU 13 N 0.26 0.29 0.00 7.07 5.85 -1.87 0.30 115.31 127.21 1tvi h LEU 13 Ca -0.09 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1tvi h LEU 13 Cb 1.49 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.54 1tvi h LEU 13 CO 0.17 0.05 -0.19 0.25 -0.34 0.00 0.00 178.44 178.37 1tvi h LEU 14 N 0.25 0.16 -1.81 2.25 7.12 -0.77 -3.10 115.31 119.42 1tvi h LEU 14 Ca 0.58 -0.79 0.01 0.00 0.13 0.00 0.00 57.88 57.81 1tvi h LEU 14 Cb 1.75 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 41.83 1tvi h LEU 14 CO -0.20 0.94 0.41 -0.33 -0.13 0.00 0.00 178.44 179.12 1tvi h GLU 15 N -0.59 0.00 0.04 1.25 5.08 -0.19 1.62 114.58 121.79 1tvi h GLU 15 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1tvi h GLU 15 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1tvi h GLU 15 CO 0.04 0.00 -0.02 -0.91 -1.00 0.00 0.00 179.01 177.12 1tvi h ASN 16 N 0.00 -0.05 -0.77 1.42 2.35 -1.02 -3.32 115.58 114.19 1tvi h ASN 16 Ca 0.02 -0.60 -0.53 0.00 -0.55 0.00 0.00 56.30 54.63 1tvi h ASN 16 Cb 0.83 0.01 -0.34 0.00 0.05 0.00 0.00 38.32 38.87 1tvi h ASN 16 CO -0.00 0.62 -0.20 0.00 -1.65 0.00 0.00 177.43 176.20 1tvi n LEU 17 N -4.79 5.65 0.18 1.61 -0.00 0.59 -4.72 117.00 115.52 1tvi n LEU 17 Ca -0.09 -4.47 -0.09 0.00 -0.00 0.00 0.00 56.01 51.37 1tvi n LEU 17 Cb 0.32 -0.58 -0.05 0.00 -0.00 0.00 0.00 43.42 43.12 1tvi n LEU 17 CO 0.31 1.79 0.25 0.50 -0.00 0.00 0.00 177.39 180.24 1tvi h LYS 18 N 1.95 -0.51 -0.96 1.47 3.64 0.21 -2.62 116.57 119.75 1tvi h LYS 18 Ca 0.42 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.85 1tvi h LYS 18 Cb 1.34 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.23 1tvi h LYS 18 CO 0.96 -0.30 0.64 0.93 -2.27 0.00 0.00 179.45 179.40 1tvi h GLU 19 N -1.11 1.24 -0.33 1.90 5.08 -1.84 0.58 114.58 120.10 1tvi h GLU 19 Ca -0.05 -0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1tvi h GLU 19 Cb 0.44 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1tvi h GLU 19 CO 0.09 0.82 0.24 -0.22 -1.00 0.00 0.00 179.01 178.94 1tvi h LYS 20 N 1.28 0.01 0.18 2.33 1.63 -1.87 -0.53 116.57 119.59 1tvi h LYS 20 Ca 0.36 -0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.90 1tvi h LYS 20 Cb -0.11 -0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.54 1tvi h LYS 20 CO -0.09 0.00 -1.21 -0.07 -3.45 0.00 0.00 179.45 174.64 1tvi h LEU 21 N 0.01 0.58 -1.99 5.20 3.38 -0.62 -3.23 115.31 118.64 1tvi h LEU 21 Ca 0.16 -0.92 0.01 0.00 0.09 0.00 0.00 57.88 57.22 1tvi h LEU 21 Cb 0.63 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1tvi h LEU 21 CO -0.00 1.57 0.35 -0.33 0.09 0.00 0.00 178.44 180.11 1tvi h GLU 22 N -0.16 0.00 0.14 1.13 5.08 0.62 0.23 114.58 121.61 1tvi h GLU 22 Ca -0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1tvi h GLU 22 Cb 1.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1tvi h GLU 22 CO 0.17 0.00 -0.07 0.93 -1.00 0.00 0.00 179.01 179.05 1tvi h GLU 23 N 0.00 -0.18 -0.81 2.33 5.08 -1.38 1.20 114.58 120.82 1tvi h GLU 23 Ca 0.02 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1tvi h GLU 23 Cb 0.72 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1tvi h GLU 23 CO -0.00 0.20 0.38 -0.84 -1.00 0.00 0.00 179.01 177.75 1tvi h ILE 24 N -0.61 1.25 -0.17 3.13 3.07 -1.12 1.89 117.51 124.95 1tvi h ILE 24 Ca -0.02 -0.72 -0.09 0.00 1.55 0.00 0.00 64.86 65.58 1tvi h ILE 24 Cb 0.46 0.23 -0.00 0.00 -0.27 0.00 0.00 36.82 37.24 1tvi h ILE 24 CO 0.03 0.31 -0.23 1.62 -1.05 0.00 0.00 178.15 178.83 1tvi h VAL 25 N 1.15 1.35 -0.35 0.16 3.04 -1.30 -1.53 116.25 118.77 1tvi h VAL 25 Ca 0.28 -1.43 -0.12 0.00 -1.01 0.00 0.00 66.70 64.42 1tvi h VAL 25 Cb 0.13 1.88 -0.01 0.00 -2.01 0.00 0.00 31.29 31.28 1tvi h VAL 25 CO -0.03 0.43 -0.25 0.50 -1.01 0.00 0.00 177.57 177.20 1tvi h LYS 26 N 0.09 0.70 0.21 4.17 3.64 0.19 1.37 116.57 126.95 1tvi h LYS 26 Ca 0.02 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 1tvi h LYS 26 Cb 0.79 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1tvi h LYS 26 CO 0.05 0.89 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.77 1tvi h LYS 27 N 0.61 -0.32 0.17 1.90 3.64 0.30 -3.26 116.57 119.61 1tvi h LYS 27 Ca 0.08 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1tvi h LYS 27 Cb 0.75 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1tvi h LYS 27 CO 0.06 -0.22 -0.08 1.49 -2.27 0.00 0.00 179.45 178.43 1tvi h GLU 28 N -0.34 -0.22 -0.30 1.90 4.57 -1.16 -3.47 114.58 115.56 1tvi h GLU 28 Ca -0.02 0.01 0.22 0.00 -1.18 0.00 0.00 59.36 58.40 1tvi h GLU 28 Cb 0.28 0.05 -0.20 0.00 -0.16 0.00 0.00 28.75 28.72 1tvi h GLU 28 CO 0.02 0.15 0.04 -1.50 -1.18 0.00 0.00 179.01 176.54 1tvi s ILE 29 N -3.00 -0.30 0.00 2.32 1.10 0.46 -5.03 121.20 116.74 1tvi s ILE 29 Ca -0.10 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.04 1tvi s ILE 29 Cb 0.00 -0.60 0.00 0.00 0.15 0.00 0.00 42.46 42.01 1tvi s ILE 29 CO 0.37 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.81 1tvi n GLY 30 N 5.28 -2.71 3.95 1.50 0.00 -0.56 -4.42 105.19 108.24 1tvi n GLY 30 Ca 0.02 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 1tvi n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tvi n ASP 31 N -0.01 -4.17 -0.88 1.61 2.03 -1.26 -4.92 116.55 108.95 1tvi n ASP 31 Ca 0.00 -1.14 0.00 0.00 0.52 0.00 0.00 54.79 54.17 1tvi n ASP 31 Cb 0.00 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 38.88 1tvi n ASP 31 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1tvi n VAL 32 N -4.00 0.00 -3.32 5.18 0.24 -1.26 -5.13 118.33 110.04 1tvi n VAL 32 Ca -0.19 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.01 1tvi n VAL 32 Cb 0.59 -0.65 -0.06 0.00 -1.47 0.00 0.00 33.84 32.24 1tvi n VAL 32 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1tvi s HIS 33 N 1.06 -0.91 -0.30 6.34 3.76 -1.26 -4.98 115.29 119.00 1tvi s HIS 33 Ca 0.00 0.19 0.02 0.00 -0.15 0.00 0.00 55.06 55.12 1tvi s HIS 33 Cb 0.00 -0.21 0.09 0.00 1.11 0.00 0.00 32.58 33.57 1tvi s HIS 33 CO 0.00 -0.98 0.03 0.08 -0.85 0.00 0.00 174.74 173.02 1tvi s VAL 34 N 2.46 1.66 -0.51 -0.90 1.01 -1.26 -3.31 120.40 119.54 1tvi s VAL 34 Ca 0.10 -1.73 -0.18 0.00 0.00 0.00 0.00 61.98 60.17 1tvi s VAL 34 Cb -0.13 -2.13 0.08 0.00 0.00 0.00 0.00 36.38 34.20 1tvi s VAL 34 CO -0.29 -0.46 0.57 0.20 0.00 0.00 0.00 175.10 175.12 1tvi s ASN 35 N 1.25 6.19 -0.19 3.32 -0.87 -0.58 -0.91 114.94 123.15 1tvi s ASN 35 Ca 0.05 -1.18 -0.13 0.00 -1.57 0.00 0.00 52.86 50.02 1tvi s ASN 35 Cb -0.18 -2.26 -0.05 0.00 -0.02 0.00 0.00 41.25 38.74 1tvi s ASN 35 CO -0.12 -0.86 0.28 -0.69 -2.57 0.00 0.00 177.10 173.14 1tvi s VAL 36 N 2.30 5.30 -0.34 1.60 1.01 0.18 0.18 120.40 130.63 1tvi s VAL 36 Ca 0.11 0.49 -0.07 0.00 0.00 0.00 0.00 61.98 62.51 1tvi s VAL 36 Cb -0.22 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.57 1tvi s VAL 36 CO 0.09 0.35 0.12 -0.63 0.00 0.00 0.00 175.10 175.02 1tvi s ILE 37 N 0.79 3.91 -0.44 2.22 1.09 0.14 0.41 121.20 129.33 1tvi s ILE 37 Ca 0.15 -1.06 -0.26 0.00 -1.10 0.00 0.00 60.65 58.38 1tvi s ILE 37 Cb -0.13 -3.19 0.02 0.00 -1.06 0.00 0.00 42.46 38.10 1tvi s ILE 37 CO 0.04 -0.17 0.93 -0.76 -0.10 0.00 0.00 174.94 174.89 1tvi s LEU 38 N 1.43 3.99 -0.02 2.97 1.43 -0.39 -0.43 118.68 127.66 1tvi s LEU 38 Ca -0.01 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1tvi s LEU 38 Cb -0.19 -3.22 0.01 0.00 0.03 0.00 0.00 46.19 42.81 1tvi s LEU 38 CO 0.03 -1.02 -0.06 0.68 0.23 0.00 0.00 176.35 176.22 1tvi s VAL 39 N 3.72 0.50 0.00 -1.59 -7.23 -0.62 0.59 120.40 115.77 1tvi s VAL 39 Ca 0.38 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 1tvi s VAL 39 Cb -0.10 -0.47 0.00 0.00 0.56 0.00 0.00 36.38 36.37 1tvi s VAL 39 CO 0.25 0.17 0.00 -1.20 -0.31 0.00 0.00 175.10 174.01 1tvi n SER 40 N 3.33 -0.57 -0.01 4.85 7.64 -1.26 -3.90 113.62 123.70 1tvi n SER 40 Ca -0.18 -0.21 -0.13 0.00 1.01 0.00 0.00 58.87 59.37 1tvi n SER 40 Cb 0.55 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.65 1tvi n SER 40 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1tvi h GLU 41 N 0.00 -0.03 -0.47 1.43 4.81 -1.94 -0.89 114.58 117.49 1tvi h GLU 41 Ca 0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 1tvi h GLU 41 Cb 0.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1tvi h GLU 41 CO 0.00 0.55 -0.23 0.22 -0.73 0.00 0.00 179.01 178.82 1tvi h ASP 42 N -0.64 1.02 -0.75 1.04 3.58 -1.98 0.43 116.42 119.11 1tvi h ASP 42 Ca -0.00 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.05 1tvi h ASP 42 Cb 0.60 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 1tvi h ASP 42 CO 0.01 1.19 0.47 -0.33 -2.88 0.00 0.00 179.24 177.70 1tvi h GLU 43 N 0.85 1.01 0.01 0.28 5.08 -1.90 -2.06 114.58 117.84 1tvi h GLU 43 Ca 0.11 -0.08 -0.20 0.00 -1.00 0.00 0.00 59.36 58.19 1tvi h GLU 43 Cb 0.81 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1tvi h GLU 43 CO 0.07 0.70 -0.90 0.97 -1.00 0.00 0.00 179.01 178.85 1tvi h ILE 44 N 1.03 1.51 -0.77 3.13 2.10 -0.97 -2.19 117.51 121.34 1tvi h ILE 44 Ca 0.27 -2.68 0.17 0.00 1.08 0.00 0.00 64.86 63.70 1tvi h ILE 44 Cb -0.07 2.51 -0.11 0.00 -1.09 0.00 0.00 36.82 38.05 1tvi h ILE 44 CO -0.05 0.78 0.21 0.50 -1.08 0.00 0.00 178.15 178.51 1tvi h LYS 45 N 0.10 0.28 0.03 2.19 3.11 0.55 0.49 116.57 123.33 1tvi h LYS 45 Ca -0.05 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.73 1tvi h LYS 45 Cb 1.54 -0.06 0.01 0.00 -1.00 0.00 0.00 32.23 32.71 1tvi h LYS 45 CO 0.14 0.19 -0.21 0.93 -2.81 0.00 0.00 179.45 177.68 1tvi h GLU 46 N 0.29 0.08 -0.88 1.90 5.08 -1.47 -3.20 114.58 116.38 1tvi h GLU 46 Ca 0.45 -0.13 0.24 0.00 -1.00 0.00 0.00 59.36 58.91 1tvi h GLU 46 Cb 0.78 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.94 1tvi h GLU 46 CO -0.52 1.04 0.24 1.25 -1.00 0.00 0.00 179.01 180.01 1tvi h LEU 47 N -0.80 -0.00 -1.13 1.33 7.12 -0.67 1.73 115.31 122.88 1tvi h LEU 47 Ca -0.04 0.20 0.01 0.00 0.13 0.00 0.00 57.88 58.19 1tvi h LEU 47 Cb 1.13 0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 41.49 1tvi h LEU 47 CO 0.04 -0.16 0.59 -1.13 -0.13 0.00 0.00 178.44 177.64 1tvi h ASN 48 N 0.20 1.01 1.56 1.25 -0.73 -0.13 -0.33 115.58 118.42 1tvi h ASN 48 Ca 0.56 -0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.65 1tvi h ASN 48 Cb 1.13 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 39.46 1tvi h ASN 48 CO -0.66 0.73 -0.24 1.56 -0.37 0.00 0.00 177.43 178.45 1tvi h GLN 49 N 1.19 0.00 0.00 6.67 4.20 0.22 1.85 115.11 129.25 1tvi h GLN 49 Ca 0.33 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.00 1tvi h GLN 49 Cb -0.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1tvi h GLN 49 CO -0.07 0.24 -0.20 1.96 -0.67 0.00 0.00 178.83 180.08 1tvi h GLN 50 N 0.00 0.00 0.00 1.46 4.20 0.31 -2.60 115.11 118.48 1tvi h GLN 50 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1tvi h GLN 50 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1tvi h GLN 50 CO 0.03 0.20 -0.24 1.19 -0.67 0.00 0.00 178.83 179.34 1tvi n PHE 51 N -4.01 -0.63 0.41 2.96 3.72 -1.03 -4.76 117.46 114.13 1tvi n PHE 51 Ca -0.02 0.11 0.11 0.00 -0.05 0.00 0.00 57.45 57.60 1tvi n PHE 51 Cb 0.28 0.22 0.45 0.00 -0.94 0.00 0.00 39.48 39.50 1tvi n PHE 51 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1tvi n ARG 52 N -3.22 0.15 -2.25 -1.08 3.00 0.60 -4.85 116.66 109.01 1tvi n ARG 52 Ca 0.00 0.39 -0.14 0.00 -0.01 0.00 0.00 57.85 58.09 1tvi n ARG 52 Cb 0.12 -1.79 -0.02 0.00 0.00 0.00 0.00 32.46 30.78 1tvi n ARG 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1tvi n GLY 53 N -0.03 -0.17 3.18 -0.13 0.00 0.67 -4.83 105.19 103.88 1tvi n GLY 53 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1tvi n GLY 53 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1tvi s GLN 54 N -4.71 2.20 -0.70 1.61 -2.07 -1.20 -4.83 119.66 109.95 1tvi s GLN 54 Ca 0.00 -0.73 -0.17 0.00 -1.82 0.00 0.00 55.36 52.64 1tvi s GLN 54 Cb 0.00 -1.84 0.15 0.00 -1.09 0.00 0.00 33.01 30.23 1tvi s GLN 54 CO 0.00 0.26 0.75 0.34 -1.32 0.00 0.00 175.29 175.32 1tvi s ASP 55 N 0.06 6.42 -0.29 12.60 2.15 -1.26 -2.65 116.67 133.69 1tvi s ASP 55 Ca -0.07 -1.96 -0.24 0.00 0.43 0.00 0.00 52.55 50.72 1tvi s ASP 55 Cb -0.13 -2.27 0.17 0.00 -0.30 0.00 0.00 42.92 40.39 1tvi s ASP 55 CO 0.04 -0.90 1.30 0.00 -0.17 0.00 0.00 175.17 175.44 1tvi s ARG 56 N 1.75 0.19 0.83 4.34 1.70 -1.26 -5.11 118.95 121.39 1tvi s ARG 56 Ca 0.15 0.23 -0.12 0.00 -0.47 0.00 0.00 55.73 55.53 1tvi s ARG 56 Cb -0.18 0.08 0.09 0.00 -0.57 0.00 0.00 34.95 34.37 1tvi s ARG 56 CO -0.01 -0.02 1.11 -1.25 -1.08 0.00 0.00 175.30 174.04 1tvi s PRO 57 N 0.23 1.82 0.32 3.89 0.04 -1.26 -4.72 135.00 135.32 1tvi s PRO 57 Ca 0.04 0.54 -0.15 0.00 0.04 0.00 0.00 61.00 61.47 1tvi s PRO 57 Cb -0.05 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.62 1tvi s PRO 57 CO -0.13 -1.78 0.66 -0.08 0.04 0.00 0.00 177.00 175.71 1tvi s THR 58 N -3.19 0.00 -0.00 1.26 -1.32 -1.26 -5.08 115.64 106.04 1tvi s THR 58 Ca 0.62 -1.17 -0.16 0.00 -1.21 0.00 0.00 61.69 59.76 1tvi s THR 58 Cb -0.14 -2.42 -0.09 0.00 -1.51 0.00 0.00 72.50 68.34 1tvi s THR 58 CO 0.54 0.00 0.85 -2.24 -2.21 0.00 0.00 174.62 171.56 1tvi h ASP 59 N 2.07 -0.50 -3.54 8.08 2.03 -1.94 -3.43 116.42 119.19 1tvi h ASP 59 Ca -0.26 0.02 -0.13 0.00 -0.73 0.00 0.00 57.03 55.93 1tvi h ASP 59 Cb 1.25 0.13 -0.26 0.00 -0.83 0.00 0.00 39.33 39.62 1tvi h ASP 59 CO 0.34 -0.22 -0.30 0.54 -1.03 0.00 0.00 179.24 178.56 1tvi s VAL 60 N -3.65 -0.02 -0.12 4.15 0.11 -1.26 -3.67 120.40 115.94 1tvi s VAL 60 Ca -0.09 0.06 -0.14 0.00 -2.93 0.00 0.00 61.98 58.88 1tvi s VAL 60 Cb 0.01 -0.55 -0.05 0.00 -1.53 0.00 0.00 36.38 34.26 1tvi s VAL 60 CO 0.26 0.02 0.32 -0.76 -3.33 0.00 0.00 175.10 171.61 1tvi s LEU 61 N 0.83 4.30 0.10 2.54 1.02 0.29 -5.00 118.68 122.77 1tvi s LEU 61 Ca -0.05 0.62 0.09 0.00 0.02 0.00 0.00 54.13 54.81 1tvi s LEU 61 Cb -0.06 -2.43 -0.03 0.00 0.02 0.00 0.00 46.19 43.69 1tvi s LEU 61 CO -0.06 0.15 -0.22 0.28 0.02 0.00 0.00 176.35 176.52 1tvi s THR 62 N 0.10 1.79 0.27 5.49 -1.32 -1.26 0.43 115.64 121.13 1tvi s THR 62 Ca 0.19 -1.55 -0.27 0.00 -1.21 0.00 0.00 61.69 58.85 1tvi s THR 62 Cb -0.14 -1.61 -0.09 0.00 -1.51 0.00 0.00 72.50 69.15 1tvi s THR 62 CO 0.06 -0.02 0.91 -0.36 -2.21 0.00 0.00 174.62 173.00 1tvi s PHE 63 N -1.12 3.81 -0.48 9.09 0.40 -1.22 -4.95 117.98 123.51 1tvi s PHE 63 Ca 0.07 1.78 -0.28 0.00 -0.60 0.00 0.00 56.93 57.90 1tvi s PHE 63 Cb -0.10 -2.90 0.01 0.00 0.51 0.00 0.00 43.02 40.54 1tvi s PHE 63 CO 0.04 0.34 1.45 -1.25 0.70 0.00 0.00 175.22 176.50 1tvi s PRO 64 N -1.65 3.41 -0.05 0.24 0.04 -1.26 -4.59 135.00 131.14 1tvi s PRO 64 Ca 0.45 0.74 0.02 0.00 0.04 0.00 0.00 61.00 62.25 1tvi s PRO 64 Cb -0.21 -4.09 0.06 0.00 0.04 0.00 0.00 34.50 30.29 1tvi s PRO 64 CO 0.27 -1.78 0.54 1.47 0.04 0.00 0.00 177.00 177.53 1tvi n LEU 65 N 9.37 -0.31 -4.52 -3.56 -0.00 -1.26 -5.09 117.00 111.63 1tvi n LEU 65 Ca 0.15 -1.10 -0.35 0.00 -0.00 0.00 0.00 56.01 54.71 1tvi n LEU 65 Cb 0.49 0.44 -0.12 0.00 -0.00 0.00 0.00 43.42 44.23 1tvi n LEU 65 CO 0.71 0.99 2.07 0.80 -0.00 0.00 0.00 177.39 181.96 1tvi n MET 66 N -0.22 0.36 -3.52 1.47 1.56 -1.26 -4.76 117.12 110.74 1tvi n MET 66 Ca -0.06 -0.07 -0.13 0.00 -0.27 0.00 0.00 57.70 57.18 1tvi n MET 66 Cb 0.49 -2.20 -0.04 0.00 2.15 0.00 0.00 33.22 33.62 1tvi n MET 66 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1tvi n GLU 67 N 8.30 0.41 -1.06 2.12 -0.58 -1.26 -5.03 120.64 123.55 1tvi n GLU 67 Ca 0.56 -2.29 -0.17 0.00 -0.42 0.00 0.00 57.16 54.84 1tvi n GLU 67 Cb 0.23 2.02 -0.04 0.00 -0.57 0.00 0.00 31.44 33.09 1tvi n GLU 67 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1tvi n GLU 68 N -0.45 1.93 0.00 3.49 4.71 -1.26 -4.33 120.64 124.73 1tvi n GLU 68 Ca 0.03 -1.50 0.00 0.00 -0.01 0.00 0.00 57.16 55.68 1tvi n GLU 68 Cb 0.44 -1.77 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 1tvi n GLU 68 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1tvi n ASP 69 N 1.07 0.00 -0.34 1.62 5.68 -1.18 -4.87 116.55 118.53 1tvi n ASP 69 Ca 0.34 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.54 1tvi n ASP 69 Cb 0.62 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.52 1tvi n ASP 69 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1tvi n VAL 70 N 0.00 -0.56 -1.67 2.12 3.14 -1.26 -4.67 118.33 115.43 1tvi n VAL 70 Ca 0.00 2.19 -0.07 0.00 -2.96 0.00 0.00 64.34 63.50 1tvi n VAL 70 Cb 0.00 -2.73 -0.02 0.00 -1.06 0.00 0.00 33.84 30.03 1tvi n VAL 70 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tvi n TYR 71 N -4.87 -1.03 -1.12 1.45 9.36 -1.22 -4.82 117.16 114.91 1tvi n TYR 71 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1tvi n TYR 71 Cb 0.21 -1.92 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 1tvi n TYR 71 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1tvi n GLY 72 N -0.33 5.12 3.26 2.98 0.00 -1.21 -4.89 105.19 110.12 1tvi n GLY 72 Ca -0.08 -1.72 -0.21 0.00 0.00 0.00 0.00 46.02 44.02 1tvi n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tvi s GLU 73 N 3.32 1.07 -0.01 1.61 -1.05 -1.26 -1.53 118.70 120.85 1tvi s GLU 73 Ca 0.00 -1.21 0.00 0.00 -0.15 0.00 0.00 54.97 53.61 1tvi s GLU 73 Cb 0.00 -1.12 0.02 0.00 -0.44 0.00 0.00 34.13 32.59 1tvi s GLU 73 CO 0.00 0.24 0.02 0.96 0.95 0.00 0.00 175.26 177.43 1tvi s ILE 74 N -1.70 -0.03 -0.23 1.83 -5.25 0.48 -3.40 121.20 112.90 1tvi s ILE 74 Ca 0.08 0.14 -0.13 0.00 -0.99 0.00 0.00 60.65 59.75 1tvi s ILE 74 Cb -0.07 -0.07 -0.04 0.00 2.95 0.00 0.00 42.46 45.22 1tvi s ILE 74 CO 0.04 0.06 0.27 -0.31 -1.79 0.00 0.00 174.94 173.21 1tvi s TYR 75 N 0.72 3.33 0.12 1.37 1.51 0.17 0.29 117.35 124.86 1tvi s TYR 75 Ca -0.06 0.39 0.10 0.00 -1.01 0.00 0.00 57.07 56.49 1tvi s TYR 75 Cb -0.09 -2.39 -0.04 0.00 -0.11 0.00 0.00 41.96 39.33 1tvi s TYR 75 CO -0.02 0.01 -0.21 0.08 -1.11 0.00 0.00 175.55 174.30 1tvi s VAL 76 N 1.23 2.65 -0.27 0.71 1.01 0.43 0.11 120.40 126.27 1tvi s VAL 76 Ca 0.13 -1.58 -0.03 0.00 0.00 0.00 0.00 61.98 60.49 1tvi s VAL 76 Cb -0.14 -2.20 0.09 0.00 0.00 0.00 0.00 36.38 34.13 1tvi s VAL 76 CO 0.06 0.10 0.11 0.00 0.00 0.00 0.00 175.10 175.37 1tvi n PRO 78 N 5.14 0.52 0.02 0.00 -0.04 -1.26 -2.63 135.00 136.75 1tvi n PRO 78 Ca -0.05 0.04 -0.12 0.00 -0.04 0.00 0.00 63.50 63.32 1tvi n PRO 78 Cb 0.43 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 1tvi n PRO 78 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1tvi h LEU 79 N 0.00 -0.10 -0.04 1.53 5.85 -1.92 -1.55 115.31 119.08 1tvi h LEU 79 Ca 0.00 -0.45 -0.24 0.00 0.84 0.00 0.00 57.88 58.03 1tvi h LEU 79 Cb 0.12 0.03 0.02 0.00 0.37 0.00 0.00 40.66 41.19 1tvi h LEU 79 CO 0.00 0.44 -0.93 0.40 -0.34 0.00 0.00 178.44 178.01 1tvi h ILE 80 N -0.70 1.29 -0.10 4.05 5.03 -1.83 -2.96 117.51 122.30 1tvi h ILE 80 Ca -0.01 -2.15 0.04 0.00 -0.12 0.00 0.00 64.86 62.62 1tvi h ILE 80 Cb 0.55 2.30 -0.06 0.00 -3.03 0.00 0.00 36.82 36.58 1tvi h ILE 80 CO 0.02 0.67 -0.28 0.58 -0.68 0.00 0.00 178.15 178.46 1tvi h VAL 81 N 0.38 0.36 -0.47 1.67 2.07 -1.59 0.23 116.25 118.92 1tvi h VAL 81 Ca -0.11 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.50 1tvi h VAL 81 Cb 1.58 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 1tvi h VAL 81 CO 0.19 0.00 0.03 -0.08 0.02 0.00 0.00 177.57 177.72 1tvi h GLU 82 N -0.36 0.14 -0.95 1.57 4.22 -1.33 0.39 114.58 118.26 1tvi h GLU 82 Ca 0.09 -0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.59 1tvi h GLU 82 Cb 0.50 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 1tvi h GLU 82 CO -0.30 0.09 0.60 1.49 -2.18 0.00 0.00 179.01 178.71 1tvi h GLU 83 N 0.14 1.05 -0.23 1.92 4.57 -1.11 1.59 114.58 122.51 1tvi h GLU 83 Ca 0.23 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.24 1tvi h GLU 83 Cb 0.34 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1tvi h GLU 83 CO -0.37 0.70 -0.32 -0.91 -1.18 0.00 0.00 179.01 176.93 1tvi h ASN 84 N 1.09 0.49 1.16 1.04 -0.26 0.14 -1.72 115.58 117.52 1tvi h ASN 84 Ca 0.41 -0.19 -0.15 0.00 -0.56 0.00 0.00 56.30 55.82 1tvi h ASN 84 Cb 0.18 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.29 1tvi h ASN 84 CO -0.18 0.79 -0.69 0.00 -1.06 0.00 0.00 177.43 176.29 1tvi h ALA 85 N 1.25 0.60 -0.00 -0.83 0.00 0.16 -2.82 119.26 117.62 1tvi h ALA 85 Ca 0.05 -0.63 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 1tvi h ALA 85 Cb 0.76 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1tvi h ALA 85 CO 0.06 0.87 -0.52 0.00 0.00 0.00 0.00 179.25 179.66 1tvi h ARG 86 N 0.00 0.01 0.00 0.00 3.08 0.27 2.32 114.38 120.05 1tvi h ARG 86 Ca -0.01 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 1tvi h ARG 86 Cb 1.46 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.49 1tvi h ARG 86 CO 0.09 0.52 -0.64 1.05 -1.07 0.00 0.00 179.97 179.92 1tvi h GLU 87 N 0.00 0.00 -0.05 0.04 4.11 -1.26 -3.27 114.58 114.15 1tvi h GLU 87 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1tvi h GLU 87 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1tvi h GLU 87 CO 0.07 0.55 0.00 0.34 0.07 0.00 0.00 179.01 180.04 1tvi n PHE 88 N -3.21 0.15 -2.33 2.06 -0.00 -1.03 -4.95 117.46 108.15 1tvi n PHE 88 Ca 0.01 -0.91 -0.01 0.00 -0.00 0.00 0.00 57.45 56.54 1tvi n PHE 88 Cb 0.77 -0.16 -0.00 0.00 -0.00 0.00 0.00 39.48 40.09 1tvi n PHE 88 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1tvi n ASN 89 N -1.13 -1.12 -4.80 -2.13 4.05 0.72 -4.83 115.26 106.01 1tvi n ASN 89 Ca 0.15 0.43 -0.33 0.00 0.45 0.00 0.00 54.58 55.27 1tvi n ASN 89 Cb 0.62 -1.13 0.01 0.00 1.23 0.00 0.00 39.78 40.52 1tvi n ASN 89 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1tvi s ASN 90 N -1.90 5.75 -0.71 1.20 2.47 0.24 -4.91 114.94 117.07 1tvi s ASN 90 Ca 0.00 1.84 -0.26 0.00 0.42 0.00 0.00 52.86 54.86 1tvi s ASN 90 Cb 0.00 -2.54 -0.03 0.00 -1.45 0.00 0.00 41.25 37.23 1tvi s ASN 90 CO 0.00 -1.19 1.89 0.42 -3.72 0.00 0.00 177.10 174.50 1tvi s THR 91 N -2.42 3.39 0.25 -5.21 -4.23 -1.26 -4.64 115.64 101.52 1tvi s THR 91 Ca 0.64 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 61.08 1tvi s THR 91 Cb -0.16 -3.97 0.31 0.00 1.34 0.00 0.00 72.50 70.01 1tvi s THR 91 CO 0.37 -0.93 1.62 0.15 -0.54 0.00 0.00 174.62 175.28 1tvi h PHE 92 N 13.66 -0.16 -0.28 3.99 3.57 -1.91 0.30 116.94 136.12 1tvi h PHE 92 Ca -0.14 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.47 1tvi h PHE 92 Cb 1.11 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 40.00 1tvi h PHE 92 CO 1.10 -0.29 0.05 1.05 -2.23 0.00 0.00 178.31 177.99 1tvi h GLU 93 N 0.06 0.14 0.07 1.11 4.11 -1.99 -0.77 114.58 117.31 1tvi h GLU 93 Ca 0.42 -0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.87 1tvi h GLU 93 Cb 0.74 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1tvi h GLU 93 CO -0.74 0.09 -0.19 -0.22 0.07 0.00 0.00 179.01 178.02 1tvi h LYS 94 N 0.15 -0.34 -0.58 1.06 3.64 -0.94 0.83 116.57 120.39 1tvi h LYS 94 Ca 0.13 0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.70 1tvi h LYS 94 Cb 0.14 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1tvi h LYS 94 CO -0.18 -0.22 0.48 1.49 -2.27 0.00 0.00 179.45 178.75 1tvi h GLU 95 N -0.35 0.00 0.10 1.90 4.22 -0.30 0.62 114.58 120.78 1tvi h GLU 95 Ca 0.04 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.28 1tvi h GLU 95 Cb 0.39 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.64 1tvi h GLU 95 CO -0.13 0.00 -0.95 1.25 -2.18 0.00 0.00 179.01 177.00 1tvi h LEU 96 N 0.00 0.34 -1.94 1.64 6.46 0.56 -3.27 115.31 119.10 1tvi h LEU 96 Ca 0.27 -0.89 0.30 0.00 -0.12 0.00 0.00 57.88 57.44 1tvi h LEU 96 Cb 1.23 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 41.01 1tvi h LEU 96 CO -0.00 1.43 0.79 -0.07 -0.62 0.00 0.00 178.44 179.96 1tvi h LEU 97 N -0.48 0.00 0.32 2.25 4.07 0.29 0.20 115.31 121.96 1tvi h LEU 97 Ca -0.20 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.75 1tvi h LEU 97 Cb 1.57 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.32 1tvi h LEU 97 CO 0.07 0.00 -0.15 -0.33 -1.08 0.00 0.00 178.44 176.95 1tvi h GLU 98 N 0.00 -0.41 -0.02 1.13 5.08 -1.38 0.25 114.58 119.22 1tvi h GLU 98 Ca 0.49 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.88 1tvi h GLU 98 Cb 2.06 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 31.40 1tvi h GLU 98 CO -0.01 -0.08 0.04 -0.39 -1.00 0.00 0.00 179.01 177.57 1tvi h VAL 99 N -0.86 0.36 0.08 3.13 -1.51 -0.79 1.39 116.25 118.06 1tvi h VAL 99 Ca -0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1tvi h VAL 99 Cb 0.52 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 1tvi h VAL 99 CO 0.07 0.00 -0.04 0.58 -1.23 0.00 0.00 177.57 176.95 1tvi h VAL 100 N 0.00 0.39 0.00 7.19 2.07 -0.64 -3.27 116.25 121.99 1tvi h VAL 100 Ca 0.01 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1tvi h VAL 100 Cb 0.09 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1tvi h VAL 100 CO -0.00 0.12 0.00 0.16 0.02 0.00 0.00 177.57 177.87 1tvi h ILE 101 N -1.01 0.00 -0.54 4.57 3.07 0.02 -2.83 117.51 120.80 1tvi h ILE 101 Ca -0.01 -0.26 0.10 0.00 1.55 0.00 0.00 64.86 66.24 1tvi h ILE 101 Cb 0.29 1.05 -0.08 0.00 -0.27 0.00 0.00 36.82 37.81 1tvi h ILE 101 CO 0.02 0.00 0.11 -0.74 -1.05 0.00 0.00 178.15 176.49 1tvi h HIS 102 N 0.00 0.17 -0.42 0.16 2.76 0.18 1.70 115.15 119.71 1tvi h HIS 102 Ca 0.00 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.07 1tvi h HIS 102 Cb 0.32 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1tvi h HIS 102 CO 0.00 -0.02 -0.26 0.78 -1.30 0.00 0.00 177.93 177.14 1tvi h GLY 103 N 0.25 1.00 0.79 5.26 0.00 -1.62 -2.14 103.07 106.60 1tvi h GLY 103 Ca 0.28 -0.93 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1tvi h GLY 103 CO -0.36 0.85 0.01 -2.22 0.00 0.00 0.00 176.54 174.82 1tvi h ILE 104 N 0.75 1.22 -0.26 2.60 2.04 -1.28 -2.62 117.51 119.95 1tvi h ILE 104 Ca 0.09 -0.68 0.06 0.00 1.00 0.00 0.00 64.86 65.33 1tvi h ILE 104 Cb 0.83 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 38.33 1tvi h ILE 104 CO 0.07 0.20 -0.23 -0.07 0.00 0.00 0.00 178.15 178.11 1tvi h LEU 105 N -0.07 -0.76 -1.53 1.44 3.38 0.25 1.74 115.31 119.77 1tvi h LEU 105 Ca 0.03 0.14 0.26 0.00 0.09 0.00 0.00 57.88 58.40 1tvi h LEU 105 Cb 0.29 0.36 -0.08 0.00 0.09 0.00 0.00 40.66 41.33 1tvi h LEU 105 CO 0.00 -0.27 0.67 0.45 0.09 0.00 0.00 178.44 179.38 1tvi h HIS 106 N -0.23 0.50 0.00 1.13 3.86 -1.28 1.29 115.15 120.42 1tvi h HIS 106 Ca 0.14 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.25 1tvi h HIS 106 Cb 0.45 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 1tvi h HIS 106 CO -0.40 0.07 -0.97 -0.07 0.86 0.00 0.00 177.93 177.42 1tvi h LEU 107 N 0.32 0.00 -0.78 2.43 3.38 0.03 -3.11 115.31 117.58 1tvi h LEU 107 Ca 0.54 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.39 1tvi h LEU 107 Cb 1.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 1tvi h LEU 107 CO -0.21 0.47 -0.61 0.00 0.09 0.00 0.00 178.44 178.18 1tvi h ALA 108 N 1.53 0.99 0.00 1.53 0.00 1.15 -3.43 119.26 121.03 1tvi h ALA 108 Ca -0.08 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1tvi h ALA 108 Cb 1.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1tvi h ALA 108 CO 0.05 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.47 1tvi n GLY 109 N 0.22 2.43 0.00 0.00 0.00 0.18 -4.93 105.19 103.09 1tvi n GLY 109 Ca -0.01 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1tvi n GLY 109 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tvi n TYR 110 N 0.11 -0.04 -4.50 1.61 4.01 -1.26 -4.70 117.16 112.38 1tvi n TYR 110 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.47 1tvi n TYR 110 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 38.93 1tvi n TYR 110 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1tvi s ASP 111 N -0.77 4.02 -0.93 7.72 2.15 -1.26 -5.00 116.67 122.60 1tvi s ASP 111 Ca 0.00 -1.30 -0.24 0.00 0.43 0.00 0.00 52.55 51.43 1tvi s ASP 111 Cb 0.00 -0.40 -0.23 0.00 -0.30 0.00 0.00 42.92 41.99 1tvi s ASP 111 CO 0.00 -0.48 2.51 1.57 -0.17 0.00 0.00 175.17 178.59 1tvi n HIS 112 N -1.04 0.54 -2.22 -5.34 -0.00 -1.26 -3.56 115.22 102.34 1tvi n HIS 112 Ca -0.04 0.23 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 1tvi n HIS 112 Cb 0.66 -1.92 0.00 0.00 -0.00 0.00 0.00 29.99 28.73 1tvi n HIS 112 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1tvi n GLU 113 N 7.77 -5.15 -1.08 1.57 4.07 -1.26 -4.95 120.64 121.62 1tvi n GLU 113 Ca 0.62 3.67 0.01 0.00 -0.06 0.00 0.00 57.16 61.41 1tvi n GLU 113 Cb 0.14 -4.32 0.14 0.00 -0.06 0.00 0.00 31.44 27.33 1tvi n GLU 113 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04 1tvi n PHE 114 N 1.91 0.41 -4.21 4.31 -1.74 -1.23 -5.04 117.46 111.87 1tvi n PHE 114 Ca 0.00 -1.40 -0.19 0.00 -0.56 0.00 0.00 57.45 55.30 1tvi n PHE 114 Cb 0.00 -0.24 -0.12 0.00 1.52 0.00 0.00 39.48 40.65 1tvi n PHE 114 CO 0.00 0.00 0.00 -1.83 -0.56 0.00 0.00 176.76 174.37 1tvi s GLU 115 N -2.60 0.93 -0.43 3.97 -1.05 -1.26 -4.91 118.70 113.35 1tvi s GLU 115 Ca 0.38 -1.10 -0.35 0.00 -0.15 0.00 0.00 54.97 53.75 1tvi s GLU 115 Cb 0.38 -0.90 0.05 0.00 -0.44 0.00 0.00 34.13 33.22 1tvi s GLU 115 CO -0.08 0.19 0.63 -0.25 0.95 0.00 0.00 175.26 176.70 1tvi n ASP 116 N 0.92 -5.81 -3.61 0.83 8.00 -1.26 -4.98 116.55 110.64 1tvi n ASP 116 Ca -0.18 -0.06 -0.01 0.00 0.71 0.00 0.00 54.79 55.25 1tvi n ASP 116 Cb 0.55 -2.04 -0.02 0.00 -0.02 0.00 0.00 41.12 39.59 1tvi n ASP 116 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1tvi s LYS 117 N -2.40 0.15 0.54 -1.24 2.47 -1.26 -4.98 119.74 113.02 1tvi s LYS 117 Ca 0.35 -0.07 0.45 0.00 -1.56 0.00 0.00 55.97 55.15 1tvi s LYS 117 Cb -0.04 0.06 1.67 0.00 -1.46 0.00 0.00 37.83 38.06 1tvi s LYS 117 CO 0.83 -0.07 1.62 -0.91 0.16 0.00 0.00 175.35 176.98 1tvi h ASN 118 N 2.00 0.03 -6.86 1.43 2.35 -2.01 -3.44 115.58 109.08 1tvi h ASN 118 Ca -0.12 0.02 -0.55 0.00 -0.55 0.00 0.00 56.30 55.10 1tvi h ASN 118 Cb 1.16 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 1tvi h ASN 118 CO 0.23 -0.03 -1.07 -1.20 -1.65 0.00 0.00 177.43 173.71 1tvi n SER 119 N -4.09 -4.47 -0.07 5.81 7.64 -1.26 -4.88 113.62 112.30 1tvi n SER 119 Ca 0.40 -1.14 -0.13 0.00 1.01 0.00 0.00 58.87 59.02 1tvi n SER 119 Cb 1.81 -1.62 -0.10 0.00 -1.01 0.00 0.00 64.21 63.29 1tvi n SER 119 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1tvi h LYS 120 N -1.45 0.00 0.05 1.43 1.57 -2.00 -3.15 116.57 113.03 1tvi h LYS 120 Ca -0.68 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 57.87 1tvi h LYS 120 Cb 1.41 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.74 1tvi h LYS 120 CO 0.44 0.81 -0.95 0.93 -0.57 0.00 0.00 179.45 180.11 1tvi h GLU 121 N -1.00 0.55 -0.36 3.15 4.39 -2.00 -3.17 114.58 116.14 1tvi h GLU 121 Ca -0.05 -0.66 0.08 0.00 0.34 0.00 0.00 59.36 59.07 1tvi h GLU 121 Cb 0.87 0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 29.64 1tvi h GLU 121 CO -0.03 1.27 -0.23 1.98 -1.16 0.00 0.00 179.01 180.84 1tvi h MET 122 N 0.12 -0.17 -0.81 2.33 4.05 -1.95 0.10 114.93 118.60 1tvi h MET 122 Ca -0.13 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.37 1tvi h MET 122 Cb 1.65 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 32.43 1tvi h MET 122 CO 0.18 -0.11 0.53 0.35 0.23 0.00 0.00 176.91 178.09 1tvi h PHE 123 N -0.17 0.88 -0.42 1.39 3.57 -1.64 -0.36 116.94 120.19 1tvi h PHE 123 Ca 0.18 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1tvi h PHE 123 Cb 0.45 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1tvi h PHE 123 CO -0.44 0.46 -0.03 0.93 -2.23 0.00 0.00 178.31 176.99 1tvi h GLU 124 N 0.86 0.70 -0.30 1.11 5.08 -0.88 0.41 114.58 121.56 1tvi h GLU 124 Ca 0.35 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1tvi h GLU 124 Cb 0.26 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1tvi h GLU 124 CO -0.13 0.74 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.26 1tvi h LYS 125 N 0.65 0.52 0.02 2.33 3.64 0.73 0.27 116.57 124.73 1tvi h LYS 125 Ca 0.13 -0.16 -0.23 0.00 -1.27 0.00 0.00 60.65 59.13 1tvi h LYS 125 Cb 0.46 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1tvi h LYS 125 CO 0.02 0.65 -1.09 0.37 -2.27 0.00 0.00 179.45 177.13 1tvi h GLN 126 N 0.47 0.04 0.00 1.90 4.15 -0.69 -3.14 115.11 117.84 1tvi h GLN 126 Ca 0.09 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1tvi h GLN 126 Cb 0.52 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1tvi h GLN 126 CO 0.03 0.99 0.00 0.87 -1.93 0.00 0.00 178.83 178.80 1tvi h LYS 127 N 0.01 0.00 0.09 1.69 1.57 0.24 -1.76 116.57 118.41 1tvi h LYS 127 Ca -0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1tvi h LYS 127 Cb 1.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1tvi h LYS 127 CO 0.14 0.00 -0.04 -0.22 -0.57 0.00 0.00 179.45 178.75 1tvi h LYS 128 N 0.00 -0.12 -0.00 3.15 3.64 -0.43 -2.14 116.57 120.67 1tvi h LYS 128 Ca 0.00 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1tvi h LYS 128 Cb 0.81 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1tvi h LYS 128 CO 0.00 0.40 -0.58 1.88 -2.27 0.00 0.00 179.45 178.88 1tvi h TYR 129 N -0.75 0.01 0.68 1.91 0.05 -1.58 -1.62 116.97 115.67 1tvi h TYR 129 Ca -0.01 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 1tvi h TYR 129 Cb 0.57 -0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.32 1tvi h TYR 129 CO 0.11 0.59 -0.33 0.28 -1.05 0.00 0.00 178.16 177.76 1tvi h VAL 130 N 0.01 0.26 -0.41 -2.88 2.07 -1.36 0.21 116.25 114.15 1tvi h VAL 130 Ca -0.01 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1tvi h VAL 130 Cb 1.03 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1tvi h VAL 130 CO 0.08 0.02 0.26 -0.33 0.02 0.00 0.00 177.57 177.62 1tvi h GLU 131 N -1.04 0.52 0.36 1.57 5.08 -1.40 1.78 114.58 121.44 1tvi h GLU 131 Ca -0.09 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1tvi h GLU 131 Cb 0.73 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1tvi h GLU 131 CO 0.15 0.34 -0.45 0.93 -1.00 0.00 0.00 179.01 178.99 1tvi h GLU 132 N 0.53 -0.82 -0.44 2.33 5.08 -1.23 0.48 114.58 120.52 1tvi h GLU 132 Ca 0.16 0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 1tvi h GLU 132 Cb -0.04 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1tvi h GLU 132 CO -0.05 -0.54 -0.07 0.28 -1.00 0.00 0.00 179.01 177.62 1tvi h VAL 133 N -0.85 1.25 0.00 3.13 2.07 -0.40 -0.18 116.25 121.26 1tvi h VAL 133 Ca -0.03 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1tvi h VAL 133 Cb 0.77 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1tvi h VAL 133 CO -0.11 0.38 0.00 1.87 0.02 0.00 0.00 177.57 179.73 1tvi n TRP 134 N -4.18 0.52 -0.24 1.57 -0.00 0.60 -2.30 117.44 113.41 1tvi n TRP 134 Ca 0.02 0.23 0.31 0.00 -0.00 0.00 0.00 57.50 58.06 1tvi n TRP 134 Cb 0.34 -0.87 0.74 0.00 -0.00 0.00 0.00 31.31 31.51 1tvi n TRP 134 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1tvi h GLY 135 N 1.24 0.00 0.00 5.87 0.00 0.19 1.55 103.07 111.91 1tvi h GLY 135 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1tvi h GLY 135 CO 0.00 0.00 -0.45 -2.09 0.00 0.00 0.00 176.54 174.00 1tvi h GLU 136 N 0.00 0.00 -0.08 4.80 4.81 -1.65 -3.34 114.58 119.12 1tvi h GLU 136 Ca 0.48 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.74 1tvi h GLU 136 Cb 1.96 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.34 1tvi h GLU 136 CO -0.01 0.13 0.29 -1.49 -0.73 0.00 0.00 179.01 177.20 1tvi h TRP 137 N -1.00 0.00 0.00 0.92 4.06 -1.55 0.65 115.95 119.03 1tvi h TRP 137 Ca -0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.92 1tvi h TRP 137 Cb 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.65 1tvi h TRP 137 CO -0.12 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.76 1tvi h ARG 138 N 0.00 0.00 0.00 0.49 2.47 0.21 0.40 114.38 117.95 1tvi h ARG 138 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1tvi h ARG 138 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 1tvi h ARG 138 CO -0.00 0.00 0.00 0.43 0.56 0.00 0.00 179.97 180.96 1tvi n SER 139 N -2.67 0.12 -3.04 7.04 7.64 0.23 -3.93 113.62 118.99 1tvi n SER 139 Ca -0.02 0.51 -0.16 0.00 1.01 0.00 0.00 58.87 60.21 1tvi n SER 139 Cb 0.06 -0.54 -0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1tvi n SER 139 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1tvi n ASN 140 N -1.61 -0.41 -3.13 6.43 0.23 0.14 -5.13 115.26 111.79 1tvi n ASN 140 Ca 0.07 -3.13 0.00 0.00 -0.53 0.00 0.00 54.58 50.99 1tvi n ASN 140 Cb 0.34 0.20 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 1tvi n ASN 140 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1tvi n PRO 141 N 0.69 0.81 -1.45 -0.53 -0.04 -1.12 -4.82 135.00 128.54 1tvi n PRO 141 Ca 0.18 0.00 -0.56 0.00 -0.04 0.00 0.00 63.50 63.08 1tvi n PRO 141 Cb 0.64 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.01 1tvi n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1tvi n SER 142 N -0.37 0.99 -4.09 3.54 2.88 -1.26 -4.66 113.62 110.65 1tvi n SER 142 Ca 0.00 0.98 -0.46 0.00 -1.33 0.00 0.00 58.87 58.07 1tvi n SER 142 Cb 0.00 -0.73 -0.03 0.00 -0.75 0.00 0.00 64.21 62.70 1tvi n SER 142 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1tvi n GLU 143 N 3.29 0.00 -1.84 -1.46 -0.58 -1.26 -4.22 120.64 114.58 1tvi n GLU 143 Ca 0.26 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.99 1tvi n GLU 143 Cb -0.05 -0.99 -0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1tvi n GLU 143 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1tvi n ASP 144 N 1.78 -6.50 -4.96 1.62 -0.08 -1.26 -5.05 116.55 102.10 1tvi n ASP 144 Ca 0.17 1.14 -0.20 0.00 -1.51 0.00 0.00 54.79 54.39 1tvi n ASP 144 Cb 0.21 -3.59 0.05 0.00 2.34 0.00 0.00 41.12 40.14 1tvi n ASP 144 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1tvi s SER 145 N -0.37 5.13 0.27 1.67 0.01 -1.26 -4.97 113.70 114.19 1tvi s SER 145 Ca -0.01 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1tvi s SER 145 Cb 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1tvi s SER 145 CO 0.01 -1.27 0.00 -0.67 0.41 0.00 0.00 173.24 171.73 1tvi n ASP 146 N -2.25 -8.04 0.02 2.44 4.64 -1.26 -4.92 116.55 107.18 1tvi n ASP 146 Ca 0.13 1.12 -0.10 0.00 -1.38 0.00 0.00 54.79 54.56 1tvi n ASP 146 Cb 0.61 -4.09 -0.07 0.00 -1.04 0.00 0.00 41.12 36.52 1tvi n ASP 146 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1tvi h PRO 147 N 2.81 -0.15 -0.31 -0.67 0.13 -1.93 -3.46 132.00 128.41 1tvi h PRO 147 Ca 0.00 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.31 1tvi h PRO 147 Cb 0.00 0.03 -0.19 0.00 0.13 0.00 0.00 31.00 30.98 1tvi h PRO 147 CO 0.00 0.31 -0.08 0.20 -0.23 0.00 0.00 178.00 178.20 1tvi s GLY 148 N -3.46 -1.12 0.00 1.56 0.00 -1.26 -5.14 107.32 97.90 1tvi s GLY 148 Ca -0.12 1.77 0.00 0.00 0.00 0.00 0.00 44.72 46.37 1tvi s GLY 148 CO 0.44 4.12 0.00 1.17 0.00 0.00 0.00 173.10 178.83 1tvi n LYS 149 N 4.75 0.00 0.00 2.90 4.81 -1.26 -5.33 118.16 124.03 1tvi n LYS 149 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1tvi n LYS 149 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 1tvi n LYS 149 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46