#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 3.94 -0.30 1.12 1.09 -1.26 -4.58 121.20 121.21 1tvi s ILE 2 Ca 0.00 -0.45 -0.25 0.00 -1.10 0.00 0.00 60.65 58.85 1tvi s ILE 2 Cb 0.00 -2.65 0.00 0.00 -1.06 0.00 0.00 42.46 38.75 1tvi s ILE 2 CO 0.00 0.56 0.85 -0.13 -0.10 0.00 0.00 174.94 176.11 1tvi s ARG 3 N -0.98 4.02 -0.28 2.79 3.00 0.06 -4.95 118.95 122.62 1tvi s ARG 3 Ca 0.14 0.75 -0.06 0.00 0.00 0.00 0.00 55.73 56.55 1tvi s ARG 3 Cb -0.11 -3.71 0.00 0.00 0.00 0.00 0.00 34.95 31.13 1tvi s ARG 3 CO 0.03 -0.69 0.06 0.42 0.00 0.00 0.00 175.30 175.12 1tvi s ILE 4 N 3.06 3.90 0.18 1.52 1.01 -1.26 -1.52 121.20 128.09 1tvi s ILE 4 Ca 0.35 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.41 1tvi s ILE 4 Cb -0.14 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 1tvi s ILE 4 CO 0.12 0.16 -0.02 -1.48 0.00 0.00 0.00 174.94 173.72 1tvi s LEU 5 N 1.50 2.22 0.00 2.97 2.34 0.22 -4.96 118.68 122.97 1tvi s LEU 5 Ca 0.03 -1.15 0.00 0.00 0.06 0.00 0.00 54.13 53.07 1tvi s LEU 5 Cb -0.17 -0.17 0.00 0.00 -0.56 0.00 0.00 46.19 45.29 1tvi s LEU 5 CO 0.02 -0.51 0.00 0.61 -1.06 0.00 0.00 176.35 175.41 1tvi n GLY 6 N -0.28 -1.85 2.85 -3.48 0.00 -1.26 -1.35 105.19 99.81 1tvi n GLY 6 Ca -0.07 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 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 0.05 0.00 1.61 2.02 -0.39 -4.70 118.70 117.29 1tvi s GLU 7 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.03 1tvi s GLU 7 Cb 0.00 -0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.10 1tvi s GLU 7 CO 0.00 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1tvi n GLY 8 N 3.43 4.99 3.10 -1.39 0.00 -1.26 -3.66 105.19 110.40 1tvi n GLY 8 Ca -0.17 -0.94 -0.57 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.95 0.00 0.00 1.61 4.81 -1.26 -3.38 118.16 117.99 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 -1.38 0.00 0.00 0.02 0.00 0.00 35.03 33.67 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 6.15 0.31 0.22 3.14 0.00 -1.26 -4.84 105.19 108.91 1tvi n GLY 10 Ca 0.45 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 1tvi n GLY 10 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1tvi h SER 11 N 0.03 -0.39 1.04 1.61 0.87 -1.95 0.51 113.55 115.27 1tvi h SER 11 Ca 0.00 -0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.28 1tvi h SER 11 Cb 0.00 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1tvi h SER 11 CO 0.00 0.01 -0.57 0.11 -0.53 0.00 0.00 176.83 175.85 1tvi h LYS 12 N -0.86 0.00 -0.23 2.24 6.56 -1.95 -2.57 116.57 119.77 1tvi h LYS 12 Ca -0.05 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.44 1tvi h LYS 12 Cb 0.53 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.18 1tvi h LYS 12 CO 0.08 0.57 -0.29 1.25 -2.06 0.00 0.00 179.45 178.99 1tvi h LEU 13 N 0.00 0.46 -0.10 2.94 5.85 -1.93 -2.80 115.31 119.73 1tvi h LEU 13 Ca -0.01 -0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.43 1tvi h LEU 13 Cb 1.24 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1tvi h LEU 13 CO 0.07 0.73 -0.42 0.25 -0.34 0.00 0.00 178.44 178.74 1tvi h LEU 14 N 0.39 0.54 -1.96 2.25 7.12 -0.75 -3.00 115.31 119.90 1tvi h LEU 14 Ca 0.05 -0.63 0.20 0.00 0.13 0.00 0.00 57.88 57.63 1tvi h LEU 14 Cb 0.72 -0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 40.66 1tvi h LEU 14 CO 0.05 1.08 0.57 -0.33 -0.13 0.00 0.00 178.44 179.68 1tvi h GLU 15 N 0.03 0.00 0.01 1.25 5.08 -1.27 0.35 114.58 120.03 1tvi h GLU 15 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1tvi h GLU 15 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1tvi h GLU 15 CO 0.09 0.00 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.18 1tvi h ASN 16 N 0.00 -0.02 -1.35 1.42 2.35 -1.35 -3.08 115.58 113.56 1tvi h ASN 16 Ca 0.33 -0.04 -0.61 0.00 -0.55 0.00 0.00 56.30 55.43 1tvi h ASN 16 Cb 1.47 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 39.45 1tvi h ASN 16 CO -0.00 0.03 -0.36 0.00 -1.65 0.00 0.00 177.43 175.45 1tvi n LEU 17 N -5.08 5.43 0.19 1.61 -0.00 0.52 -4.77 117.00 114.90 1tvi n LEU 17 Ca -0.07 -4.97 -0.10 0.00 -0.00 0.00 0.00 56.01 50.87 1tvi n LEU 17 Cb 0.06 -0.56 -0.05 0.00 -0.00 0.00 0.00 43.42 42.86 1tvi n LEU 17 CO 0.33 2.07 0.29 0.50 -0.00 0.00 0.00 177.39 180.59 1tvi h LYS 18 N 2.49 -0.53 -0.54 1.47 3.11 -0.38 -3.11 116.57 119.08 1tvi h LYS 18 Ca 0.38 0.04 0.16 0.00 -2.81 0.00 0.00 60.65 58.42 1tvi h LYS 18 Cb 0.94 0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 32.27 1tvi h LYS 18 CO 0.97 -0.29 0.42 0.93 -2.81 0.00 0.00 179.45 178.68 1tvi h GLU 19 N -1.09 0.00 -0.96 1.90 4.39 -1.86 0.20 114.58 117.17 1tvi h GLU 19 Ca -0.06 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.76 1tvi h GLU 19 Cb 0.49 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.06 1tvi h GLU 19 CO 0.09 0.00 0.59 -0.22 -1.16 0.00 0.00 179.01 178.31 1tvi h LYS 20 N 0.00 0.90 0.17 2.33 1.63 -1.89 -0.64 116.57 119.08 1tvi h LYS 20 Ca 0.26 -0.05 -0.30 0.00 -0.85 0.00 0.00 60.65 59.70 1tvi h LYS 20 Cb 1.10 -0.20 0.01 0.00 -0.60 0.00 0.00 32.23 32.54 1tvi h LYS 20 CO -0.00 0.60 -1.36 -0.07 -3.45 0.00 0.00 179.45 175.17 1tvi h LEU 21 N 0.93 0.56 -2.05 5.20 3.38 -0.66 -3.19 115.31 119.49 1tvi h LEU 21 Ca 0.47 -0.62 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1tvi h LEU 21 Cb 0.47 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1tvi h LEU 21 CO -0.27 1.49 0.33 -0.33 0.09 0.00 0.00 178.44 179.75 1tvi h GLU 22 N 0.10 0.00 -0.02 1.13 5.08 -0.26 0.88 114.58 121.49 1tvi h GLU 22 Ca -0.19 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1tvi h GLU 22 Cb 2.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1tvi h GLU 22 CO 0.22 0.00 -0.22 0.93 -1.00 0.00 0.00 179.01 178.95 1tvi h GLU 23 N 0.00 0.17 0.00 2.33 5.08 -1.27 -1.60 114.58 119.29 1tvi h GLU 23 Ca 0.03 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.10 1tvi h GLU 23 Cb 0.69 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1tvi h GLU 23 CO -0.00 0.87 -0.60 -0.84 -1.00 0.00 0.00 179.01 177.45 1tvi h ILE 24 N -0.47 1.10 -0.11 3.13 3.07 -0.93 -2.16 117.51 121.14 1tvi h ILE 24 Ca -0.02 -2.33 -0.03 0.00 1.55 0.00 0.00 64.86 64.03 1tvi h ILE 24 Cb 0.94 2.39 -0.00 0.00 -0.27 0.00 0.00 36.82 39.88 1tvi h ILE 24 CO 0.04 0.58 -0.03 1.62 -1.05 0.00 0.00 178.15 179.31 1tvi h VAL 25 N 0.00 1.30 -0.29 0.16 3.04 0.60 0.38 116.25 121.43 1tvi h VAL 25 Ca -0.01 -0.99 -0.03 0.00 -1.01 0.00 0.00 66.70 64.66 1tvi h VAL 25 Cb 1.35 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 32.33 1tvi h VAL 25 CO 0.08 0.28 0.06 0.50 -1.01 0.00 0.00 177.57 177.48 1tvi h LYS 26 N -0.10 0.48 -0.65 4.17 3.64 -1.31 -2.78 116.57 120.02 1tvi h LYS 26 Ca 0.03 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1tvi h LYS 26 Cb 0.46 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1tvi h LYS 26 CO 0.01 0.58 0.42 -0.22 -2.27 0.00 0.00 179.45 177.96 1tvi h LYS 27 N 0.31 0.87 -0.54 1.90 3.64 -1.34 -0.21 116.57 121.20 1tvi h LYS 27 Ca 0.09 -0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1tvi h LYS 27 Cb 0.32 -0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 31.84 1tvi h LYS 27 CO 0.00 0.60 -0.38 1.49 -2.27 0.00 0.00 179.45 178.89 1tvi h GLU 28 N 0.89 -0.21 0.00 1.90 4.81 0.03 -3.42 114.58 118.58 1tvi h GLU 28 Ca 0.24 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1tvi h GLU 28 Cb -0.07 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1tvi h GLU 28 CO -0.05 -0.14 0.00 1.51 -0.73 0.00 0.00 179.01 179.60 1tvi n ILE 29 N -5.42 0.00 0.00 2.32 3.06 -1.04 -4.92 119.36 113.37 1tvi n ILE 29 Ca 0.02 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.27 1tvi n ILE 29 Cb 0.35 -0.31 0.00 0.00 0.54 0.00 0.00 39.64 40.22 1tvi n ILE 29 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1tvi n GLY 30 N 0.36 4.18 2.96 4.50 0.00 -0.12 -4.97 105.19 112.10 1tvi n GLY 30 Ca 0.00 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 1tvi n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tvi s ASP 31 N 0.00 4.31 -0.05 1.61 2.15 -1.26 -4.68 116.67 118.76 1tvi s ASP 31 Ca 0.00 -1.65 -0.31 0.00 0.43 0.00 0.00 52.55 51.03 1tvi s ASP 31 Cb 0.00 -1.35 0.11 0.00 -0.30 0.00 0.00 42.92 41.38 1tvi s ASP 31 CO 0.00 -0.31 1.06 0.54 -0.17 0.00 0.00 175.17 176.29 1tvi s VAL 32 N 1.20 0.00 -0.18 1.11 0.11 -1.26 -5.10 120.40 116.28 1tvi s VAL 32 Ca 0.02 -0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 58.81 1tvi s VAL 32 Cb -0.19 -1.30 0.05 0.00 -1.53 0.00 0.00 36.38 33.42 1tvi s VAL 32 CO -0.10 0.00 0.46 -1.00 -3.33 0.00 0.00 175.10 171.13 1tvi s HIS 33 N -2.81 -0.59 -0.14 1.54 3.76 -1.26 -4.90 115.29 110.89 1tvi s HIS 33 Ca 0.09 1.33 -0.04 0.00 -0.15 0.00 0.00 55.06 56.29 1tvi s HIS 33 Cb -0.00 0.25 -0.03 0.00 1.11 0.00 0.00 32.58 33.90 1tvi s HIS 33 CO -0.05 -0.31 0.01 0.08 -0.85 0.00 0.00 174.74 173.63 1tvi s VAL 34 N 0.84 4.39 -0.45 -0.90 1.01 -1.26 -4.23 120.40 119.79 1tvi s VAL 34 Ca -0.05 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1tvi s VAL 34 Cb -0.06 -2.91 0.05 0.00 0.00 0.00 0.00 36.38 33.46 1tvi s VAL 34 CO -0.07 0.53 0.36 0.20 0.00 0.00 0.00 175.10 176.12 1tvi s ASN 35 N -0.14 6.13 -0.20 3.32 -0.87 -0.50 -0.76 114.94 121.93 1tvi s ASN 35 Ca 0.05 -1.13 -0.09 0.00 -1.57 0.00 0.00 52.86 50.11 1tvi s ASN 35 Cb -0.12 -2.18 -0.05 0.00 -0.02 0.00 0.00 41.25 38.88 1tvi s ASN 35 CO 0.02 -0.56 0.12 0.68 -2.57 0.00 0.00 177.10 174.78 1tvi s VAL 36 N 1.67 5.27 -0.33 1.60 -7.23 -0.57 0.17 120.40 120.97 1tvi s VAL 36 Ca 0.05 0.14 -0.08 0.00 -1.81 0.00 0.00 61.98 60.28 1tvi s VAL 36 Cb -0.22 -3.41 0.02 0.00 0.56 0.00 0.00 36.38 33.34 1tvi s VAL 36 CO 0.08 0.43 0.13 -0.63 -0.31 0.00 0.00 175.10 174.80 1tvi s ILE 37 N 0.45 4.11 -0.22 -0.62 1.09 0.18 -0.61 121.20 125.57 1tvi s ILE 37 Ca 0.07 -0.87 -0.29 0.00 -1.10 0.00 0.00 60.65 58.46 1tvi s ILE 37 Cb -0.12 -3.23 0.01 0.00 -1.06 0.00 0.00 42.46 38.06 1tvi s ILE 37 CO -0.01 -0.09 1.09 -0.76 -0.10 0.00 0.00 174.94 175.07 1tvi s LEU 38 N 1.49 4.10 -0.16 2.97 1.43 -0.46 -0.93 118.68 127.13 1tvi s LEU 38 Ca 0.01 1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 54.41 1tvi s LEU 38 Cb -0.18 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.54 1tvi s LEU 38 CO 0.04 -0.71 0.40 0.68 0.23 0.00 0.00 176.35 176.99 1tvi s VAL 39 N 3.31 -0.01 0.00 -1.59 -7.23 -0.59 -1.27 120.40 113.02 1tvi s VAL 39 Ca 0.46 0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.67 1tvi s VAL 39 Cb -0.16 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.20 1tvi s VAL 39 CO 0.09 0.01 0.00 -0.24 -0.31 0.00 0.00 175.10 174.65 1tvi n SER 40 N 3.39 -0.31 -0.03 4.85 2.88 -1.26 -3.41 113.62 119.73 1tvi n SER 40 Ca -0.17 -0.38 -0.17 0.00 -1.33 0.00 0.00 58.87 56.82 1tvi n SER 40 Cb 0.56 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.95 1tvi n SER 40 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1tvi h GLU 41 N 0.00 0.68 -0.00 -1.46 4.81 -1.94 0.32 114.58 116.99 1tvi h GLU 41 Ca 0.00 -0.56 -0.15 0.00 -0.13 0.00 0.00 59.36 58.52 1tvi h GLU 41 Cb 0.00 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1tvi h GLU 41 CO 0.00 1.17 -0.71 -0.44 -0.73 0.00 0.00 179.01 178.30 1tvi h ASP 42 N 0.36 0.02 0.09 1.04 5.19 -1.98 0.49 116.42 121.62 1tvi h ASP 42 Ca -0.05 -0.01 -0.29 0.00 -0.62 0.00 0.00 57.03 56.06 1tvi h ASP 42 Cb 1.30 -0.01 0.03 0.00 0.18 0.00 0.00 39.33 40.83 1tvi h ASP 42 CO 0.14 0.72 -1.19 -0.33 -3.12 0.00 0.00 179.24 175.46 1tvi h GLU 43 N 0.01 0.65 0.03 3.56 4.39 -1.88 -3.20 114.58 118.14 1tvi h GLU 43 Ca -0.01 -0.82 -0.23 0.00 0.34 0.00 0.00 59.36 58.65 1tvi h GLU 43 Cb 1.26 0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 30.17 1tvi h GLU 43 CO 0.09 1.37 -1.00 0.97 -1.16 0.00 0.00 179.01 179.28 1tvi h ILE 44 N 0.30 1.47 -0.65 3.13 2.10 -0.32 -1.45 117.51 122.09 1tvi h ILE 44 Ca -0.17 -2.70 0.13 0.00 1.08 0.00 0.00 64.86 63.20 1tvi h ILE 44 Cb 1.86 2.59 -0.10 0.00 -1.09 0.00 0.00 36.82 40.07 1tvi h ILE 44 CO 0.23 0.79 0.10 0.50 -1.08 0.00 0.00 178.15 178.70 1tvi h LYS 45 N 0.14 0.21 0.02 2.19 3.11 -0.07 0.54 116.57 122.71 1tvi h LYS 45 Ca -0.08 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.71 1tvi h LYS 45 Cb 1.66 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.85 1tvi h LYS 45 CO 0.16 0.14 -0.17 0.93 -2.81 0.00 0.00 179.45 177.70 1tvi h GLU 46 N 0.22 0.08 -1.15 1.90 5.08 -1.57 -3.16 114.58 115.97 1tvi h GLU 46 Ca 0.35 -0.11 0.32 0.00 -1.00 0.00 0.00 59.36 58.93 1tvi h GLU 46 Cb 0.57 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.77 1tvi h GLU 46 CO -0.48 0.99 0.77 1.25 -1.00 0.00 0.00 179.01 180.54 1tvi h LEU 47 N -0.78 0.26 0.11 1.33 7.12 -0.68 1.52 115.31 124.19 1tvi h LEU 47 Ca -0.03 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.04 1tvi h LEU 47 Cb 1.06 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 1tvi h LEU 47 CO 0.03 0.02 -0.05 -1.13 -0.13 0.00 0.00 178.44 177.18 1tvi h ASN 48 N 0.21 -0.12 0.76 1.25 -0.73 0.03 -2.83 115.58 114.14 1tvi h ASN 48 Ca 0.63 -0.25 -0.05 0.00 1.87 0.00 0.00 56.30 58.49 1tvi h ASN 48 Cb 1.96 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 40.57 1tvi h ASN 48 CO -0.22 0.19 -0.23 -0.61 -0.37 0.00 0.00 177.43 176.20 1tvi h GLN 49 N -0.45 0.00 -0.07 6.67 4.15 0.18 1.24 115.11 126.84 1tvi h GLN 49 Ca -0.01 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.43 1tvi h GLN 49 Cb 0.37 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.05 1tvi h GLN 49 CO 0.02 0.23 0.16 1.96 -1.93 0.00 0.00 178.83 179.27 1tvi h GLN 50 N 0.00 0.00 0.00 1.69 4.20 0.21 0.65 115.11 121.86 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 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1tvi h GLN 50 CO 0.03 0.00 -0.47 1.19 -0.67 0.00 0.00 178.83 178.91 1tvi n PHE 51 N -3.36 -0.15 0.22 2.96 3.72 -0.95 -4.79 117.46 115.12 1tvi n PHE 51 Ca -0.01 0.03 0.10 0.00 -0.05 0.00 0.00 57.45 57.51 1tvi n PHE 51 Cb 0.24 0.24 0.49 0.00 -0.94 0.00 0.00 39.48 39.51 1tvi n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1tvi h ARG 52 N 0.00 0.00 0.00 -1.08 2.47 0.15 -3.46 114.38 112.46 1tvi h ARG 52 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1tvi h ARG 52 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1tvi h ARG 52 CO 0.00 0.23 0.00 0.41 0.56 0.00 0.00 179.97 181.17 1tvi n GLY 53 N 0.01 1.45 3.73 0.04 0.00 0.22 -4.90 105.19 105.74 1tvi n GLY 53 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1tvi n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tvi s GLN 54 N -0.00 2.93 -0.67 1.61 -0.21 -1.26 -4.80 119.66 117.25 1tvi s GLN 54 Ca 0.00 -0.55 -0.12 0.00 0.02 0.00 0.00 55.36 54.71 1tvi s GLN 54 Cb 0.00 -2.77 0.17 0.00 1.00 0.00 0.00 33.01 31.41 1tvi s GLN 54 CO 0.00 0.64 0.59 0.34 -2.12 0.00 0.00 175.29 174.73 1tvi s ASP 55 N -1.65 6.24 -0.29 5.90 2.15 -1.26 -0.89 116.67 126.87 1tvi s ASP 55 Ca 0.21 -2.36 -0.22 0.00 0.43 0.00 0.00 52.55 50.61 1tvi s ASP 55 Cb -0.12 -2.13 0.18 0.00 -0.30 0.00 0.00 42.92 40.55 1tvi s ASP 55 CO 0.12 -0.64 1.28 0.00 -0.17 0.00 0.00 175.17 175.76 1tvi s ARG 56 N 0.69 0.18 0.84 4.34 1.70 -1.25 -5.06 118.95 120.39 1tvi s ARG 56 Ca 0.12 0.24 -0.12 0.00 -0.47 0.00 0.00 55.73 55.51 1tvi s ARG 56 Cb -0.19 0.08 0.09 0.00 -0.57 0.00 0.00 34.95 34.36 1tvi s ARG 56 CO -0.04 -0.03 1.11 -1.25 -1.08 0.00 0.00 175.30 174.02 1tvi s PRO 57 N 0.39 1.75 0.00 3.89 0.04 -1.26 -4.80 135.00 135.01 1tvi s PRO 57 Ca 0.02 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1tvi s PRO 57 Cb -0.04 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1tvi s PRO 57 CO -0.12 -1.83 0.54 -2.37 0.04 0.00 0.00 177.00 173.26 1tvi n THR 58 N -3.55 0.00 0.00 1.26 5.66 -1.26 -5.01 114.28 111.38 1tvi n THR 58 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1tvi n THR 58 Cb 0.57 0.66 0.00 0.00 -1.55 0.00 0.00 70.33 70.01 1tvi n THR 58 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1tvi n ASP 59 N 0.00 0.00 -3.67 1.09 2.03 -1.26 -4.74 116.55 110.00 1tvi n ASP 59 Ca 0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 1tvi n ASP 59 Cb 0.55 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.86 1tvi n ASP 59 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1tvi s VAL 60 N 0.00 -0.01 -0.13 5.18 0.11 -1.26 -3.05 120.40 121.24 1tvi s VAL 60 Ca 0.00 0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 58.96 1tvi s VAL 60 Cb 0.00 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 34.00 1tvi s VAL 60 CO 0.00 0.02 0.31 -0.76 -3.33 0.00 0.00 175.10 171.34 1tvi s LEU 61 N 1.51 4.29 0.13 2.54 1.02 0.12 -4.99 118.68 123.30 1tvi s LEU 61 Ca -0.10 0.59 0.08 0.00 0.02 0.00 0.00 54.13 54.73 1tvi s LEU 61 Cb -0.07 -2.40 -0.04 0.00 0.02 0.00 0.00 46.19 43.70 1tvi s LEU 61 CO -0.16 0.15 -0.13 -0.89 0.02 0.00 0.00 176.35 175.34 1tvi s THR 62 N 0.11 3.12 0.08 5.49 2.01 -1.26 -0.32 115.64 124.86 1tvi s THR 62 Ca 0.18 -1.45 -0.22 0.00 0.31 0.00 0.00 61.69 60.51 1tvi s THR 62 Cb -0.14 -2.47 -0.07 0.00 0.01 0.00 0.00 72.50 69.84 1tvi s THR 62 CO 0.06 0.06 0.67 -0.36 -0.69 0.00 0.00 174.62 174.36 1tvi s PHE 63 N -1.29 3.80 -0.47 4.92 0.40 -1.24 -4.96 117.98 119.13 1tvi s PHE 63 Ca 0.21 1.40 -0.28 0.00 -0.60 0.00 0.00 56.93 57.65 1tvi s PHE 63 Cb -0.10 -2.66 0.01 0.00 0.51 0.00 0.00 43.02 40.78 1tvi s PHE 63 CO 0.13 0.46 1.45 -1.25 0.70 0.00 0.00 175.22 176.70 1tvi s PRO 64 N -0.73 3.42 -0.29 0.24 0.04 -1.26 -4.92 135.00 131.50 1tvi s PRO 64 Ca 0.33 0.76 -0.23 0.00 0.04 0.00 0.00 61.00 61.91 1tvi s PRO 64 Cb -0.20 -4.09 0.17 0.00 0.04 0.00 0.00 34.50 30.42 1tvi s PRO 64 CO 0.21 -1.77 1.26 -0.48 0.04 0.00 0.00 177.00 176.27 1tvi s LEU 65 N 5.89 -0.20 -0.45 -3.56 2.34 -1.26 -5.12 118.68 116.31 1tvi s LEU 65 Ca 0.59 0.38 0.03 0.00 0.06 0.00 0.00 54.13 55.18 1tvi s LEU 65 Cb -0.13 1.37 0.15 0.00 -0.56 0.00 0.00 46.19 47.03 1tvi s LEU 65 CO 0.29 -0.06 0.31 -0.32 -1.06 0.00 0.00 176.35 175.51 1tvi s MET 66 N 0.37 1.19 0.24 1.48 1.75 -1.26 -5.00 119.30 118.06 1tvi s MET 66 Ca 0.02 -2.13 0.03 0.00 -1.25 0.00 0.00 55.69 52.37 1tvi s MET 66 Cb -0.04 -1.96 -0.01 0.00 2.84 0.00 0.00 34.83 35.65 1tvi s MET 66 CO -0.12 -1.28 0.12 0.39 -0.65 0.00 0.00 175.02 173.48 1tvi n GLU 67 N 3.13 0.58 -2.44 4.11 1.02 -1.26 -5.06 120.64 120.71 1tvi n GLU 67 Ca 0.19 -2.14 -0.40 0.00 -0.02 0.00 0.00 57.16 54.79 1tvi n GLU 67 Cb 0.40 1.33 0.02 0.00 -0.02 0.00 0.00 31.44 33.17 1tvi n GLU 67 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1tvi n GLU 68 N -0.52 4.67 0.00 3.49 1.02 -1.26 -4.19 120.64 123.84 1tvi n GLU 68 Ca -0.01 -4.35 0.00 0.00 -0.02 0.00 0.00 57.16 52.77 1tvi n GLU 68 Cb 0.38 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.39 1tvi n GLU 68 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1tvi n ASP 69 N -0.20 0.00 0.00 1.62 -0.08 -1.26 -5.04 116.55 111.59 1tvi n ASP 69 Ca 0.49 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.77 1tvi n ASP 69 Cb 0.26 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.72 1tvi n ASP 69 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1tvi n VAL 70 N 0.00 0.00 -3.07 5.18 0.31 -1.26 -4.68 118.33 114.81 1tvi n VAL 70 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1tvi n VAL 70 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1tvi n VAL 70 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1tvi n TYR 71 N 0.00 -0.86 -2.21 3.52 4.11 -1.26 -4.83 117.16 115.63 1tvi n TYR 71 Ca 0.00 0.34 0.00 0.00 -0.00 0.00 0.00 57.90 58.24 1tvi n TYR 71 Cb 0.00 -1.06 0.00 0.00 -0.00 0.00 0.00 39.34 38.28 1tvi n TYR 71 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1tvi n GLY 72 N -0.74 2.16 3.12 -7.48 0.00 -1.26 -4.87 105.19 96.12 1tvi n GLY 72 Ca 0.06 -2.06 -0.27 0.00 0.00 0.00 0.00 46.02 43.76 1tvi n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tvi s GLU 73 N 2.10 2.03 0.03 1.61 2.02 -1.26 -1.40 118.70 123.82 1tvi s GLU 73 Ca 0.00 -0.60 0.06 0.00 0.02 0.00 0.00 54.97 54.45 1tvi s GLU 73 Cb 0.00 -1.67 -0.02 0.00 0.10 0.00 0.00 34.13 32.54 1tvi s GLU 73 CO 0.00 0.16 -0.18 0.96 0.02 0.00 0.00 175.26 176.21 1tvi s ILE 74 N 0.32 1.45 -0.10 -1.63 -0.00 0.44 -3.72 121.20 117.97 1tvi s ILE 74 Ca -0.11 -1.02 -0.04 0.00 -0.00 0.00 0.00 60.65 59.48 1tvi s ILE 74 Cb -0.14 -1.26 -0.04 0.00 -0.00 0.00 0.00 42.46 41.02 1tvi s ILE 74 CO 0.04 0.21 0.07 -0.31 -0.00 0.00 0.00 174.94 174.96 1tvi s TYR 75 N -0.70 3.38 0.05 1.37 1.51 0.56 0.51 117.35 124.03 1tvi s TYR 75 Ca 0.06 0.36 0.05 0.00 -1.01 0.00 0.00 57.07 56.52 1tvi s TYR 75 Cb -0.08 -1.87 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 1tvi s TYR 75 CO 0.01 0.60 -0.13 0.08 -1.11 0.00 0.00 175.55 174.99 1tvi s VAL 76 N -0.94 1.04 -0.26 0.71 1.01 -0.11 0.11 120.40 121.96 1tvi s VAL 76 Ca 0.14 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 1tvi s VAL 76 Cb -0.12 -0.97 0.09 0.00 0.00 0.00 0.00 36.38 35.38 1tvi s VAL 76 CO 0.03 -0.08 0.10 0.00 0.00 0.00 0.00 175.10 175.15 1tvi n PRO 78 N 5.11 0.75 0.31 0.00 -0.04 -1.26 -3.44 135.00 136.44 1tvi n PRO 78 Ca -0.06 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.27 1tvi n PRO 78 Cb 0.44 -1.42 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.71 -0.44 1.53 7.12 -1.92 -0.35 115.31 120.55 1tvi h LEU 79 Ca 0.00 -0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.89 1tvi h LEU 79 Cb 0.00 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.30 1tvi h LEU 79 CO 0.00 -0.32 -0.18 0.40 -0.13 0.00 0.00 178.44 178.20 1tvi h ILE 80 N -1.17 1.27 -0.75 4.05 5.03 -1.91 -2.85 117.51 121.18 1tvi h ILE 80 Ca -0.09 -1.33 0.12 0.00 -0.12 0.00 0.00 64.86 63.45 1tvi h ILE 80 Cb 0.66 1.19 -0.09 0.00 -3.03 0.00 0.00 36.82 35.56 1tvi h ILE 80 CO 0.14 0.45 0.33 0.58 -0.68 0.00 0.00 178.15 178.97 1tvi h VAL 81 N 0.74 0.73 0.03 1.67 2.07 -1.60 0.21 116.25 120.09 1tvi h VAL 81 Ca 0.10 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1tvi h VAL 81 Cb 0.75 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1tvi h VAL 81 CO 0.06 0.09 -0.17 -0.33 0.02 0.00 0.00 177.57 177.24 1tvi h GLU 82 N 0.52 -0.29 -0.70 1.57 4.39 -0.82 1.19 114.58 120.43 1tvi h GLU 82 Ca 0.40 0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.14 1tvi h GLU 82 Cb 0.54 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 1tvi h GLU 82 CO -0.35 -0.19 0.46 1.49 -1.16 0.00 0.00 179.01 179.26 1tvi h GLU 83 N -0.30 0.86 -0.10 2.33 4.57 -1.07 1.48 114.58 122.34 1tvi h GLU 83 Ca 0.05 -0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.01 1tvi h GLU 83 Cb 0.36 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1tvi h GLU 83 CO -0.15 0.57 -0.65 -0.91 -1.18 0.00 0.00 179.01 176.69 1tvi h ASN 84 N 0.89 0.46 1.08 1.04 2.35 0.38 -2.18 115.58 119.61 1tvi h ASN 84 Ca 0.27 -0.28 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 1tvi h ASN 84 Cb 0.00 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1tvi h ASN 84 CO -0.07 0.99 -0.75 0.00 -1.65 0.00 0.00 177.43 175.95 1tvi h ALA 85 N 1.01 0.58 -0.28 -0.83 0.00 0.29 -2.87 119.26 117.15 1tvi h ALA 85 Ca -0.02 -0.68 -0.12 0.00 0.00 0.00 0.00 54.91 54.09 1tvi h ALA 85 Cb 1.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1tvi h ALA 85 CO 0.11 0.93 -0.34 0.00 0.00 0.00 0.00 179.25 179.96 1tvi h ARG 86 N 0.00 0.62 0.00 0.00 3.08 0.22 2.28 114.38 120.57 1tvi h ARG 86 Ca -0.01 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1tvi h ARG 86 Cb 1.49 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.53 1tvi h ARG 86 CO 0.10 0.87 0.00 1.05 -1.07 0.00 0.00 179.97 180.92 1tvi h GLU 87 N 0.52 0.00 -0.11 0.04 4.11 -1.37 -3.08 114.58 114.69 1tvi h GLU 87 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1tvi h GLU 87 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1tvi h GLU 87 CO 0.07 0.00 0.00 0.34 0.07 0.00 0.00 179.01 179.49 1tvi n PHE 88 N -2.95 0.14 -1.48 2.06 7.35 -0.94 -4.95 117.46 116.69 1tvi n PHE 88 Ca 0.03 -0.40 -0.13 0.00 -0.76 0.00 0.00 57.45 56.19 1tvi n PHE 88 Cb 0.44 -0.03 -0.05 0.00 0.35 0.00 0.00 39.48 40.19 1tvi n PHE 88 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1tvi n ASN 89 N -0.05 -3.53 -4.75 -2.13 5.15 0.67 -4.89 115.26 105.74 1tvi n ASN 89 Ca 0.04 0.31 -0.40 0.00 -0.60 0.00 0.00 54.58 53.93 1tvi n ASN 89 Cb 0.28 -3.27 -0.06 0.00 -0.53 0.00 0.00 39.78 36.20 1tvi n ASN 89 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1tvi s ASN 90 N -2.11 7.58 -0.49 1.20 2.47 0.40 -4.95 114.94 119.04 1tvi s ASN 90 Ca 0.00 1.87 -0.27 0.00 0.42 0.00 0.00 52.86 54.87 1tvi s ASN 90 Cb 0.00 -2.59 -0.02 0.00 -1.45 0.00 0.00 41.25 37.19 1tvi s ASN 90 CO 0.00 0.11 1.80 0.28 -3.72 0.00 0.00 177.10 175.57 1tvi s THR 91 N -0.89 3.45 0.53 -5.21 -1.32 -1.26 -4.40 115.64 106.53 1tvi s THR 91 Ca 0.42 0.38 0.44 0.00 -1.21 0.00 0.00 61.69 61.72 1tvi s THR 91 Cb -0.25 -3.85 0.65 0.00 -1.51 0.00 0.00 72.50 67.54 1tvi s THR 91 CO 0.31 -0.70 1.43 0.33 -2.21 0.00 0.00 174.62 173.77 1tvi n PHE 92 N 11.48 0.00 0.41 9.09 7.35 -1.26 0.84 117.46 145.37 1tvi n PHE 92 Ca 0.21 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.71 1tvi n PHE 92 Cb 0.50 -0.44 -0.09 0.00 0.35 0.00 0.00 39.48 39.80 1tvi n PHE 92 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1tvi h GLU 93 N 0.00 -0.98 -0.77 -4.13 3.07 -1.94 1.34 114.58 111.17 1tvi h GLU 93 Ca 0.83 0.07 0.11 0.00 -0.50 0.00 0.00 59.36 59.87 1tvi h GLU 93 Cb 3.45 0.22 -0.08 0.00 -0.84 0.00 0.00 28.75 31.50 1tvi h GLU 93 CO -0.01 -0.65 0.39 -0.22 -1.40 0.00 0.00 179.01 177.12 1tvi h LYS 94 N -1.02 0.60 0.00 2.33 1.63 0.05 0.54 116.57 120.70 1tvi h LYS 94 Ca -0.10 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.63 1tvi h LYS 94 Cb 0.78 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1tvi h LYS 94 CO 0.17 0.39 -0.15 1.49 -3.45 0.00 0.00 179.45 177.90 1tvi h GLU 95 N 0.61 0.00 0.25 1.90 4.81 -1.15 -1.48 114.58 119.52 1tvi h GLU 95 Ca 0.40 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.61 1tvi h GLU 95 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1tvi h GLU 95 CO -0.31 0.15 -0.12 1.25 -0.73 0.00 0.00 179.01 179.25 1tvi h LEU 96 N 0.00 -0.29 -2.10 1.64 7.12 0.65 -3.21 115.31 119.11 1tvi h LEU 96 Ca -0.00 -0.05 0.04 0.00 0.13 0.00 0.00 57.88 58.00 1tvi h LEU 96 Cb 0.74 0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.94 1tvi h LEU 96 CO 0.02 0.19 0.11 0.17 -0.13 0.00 0.00 178.44 178.80 1tvi h LEU 97 N -1.07 0.00 -1.30 2.25 8.10 -0.45 -0.05 115.31 122.79 1tvi h LEU 97 Ca -0.03 0.00 0.10 0.00 0.11 0.00 0.00 57.88 58.06 1tvi h LEU 97 Cb 0.32 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.48 1tvi h LEU 97 CO 0.06 0.00 0.54 -0.08 -4.11 0.00 0.00 178.44 174.85 1tvi h GLU 98 N 0.00 0.75 0.00 0.17 4.22 -1.28 0.34 114.58 118.77 1tvi h GLU 98 Ca 0.07 -0.04 -0.10 0.00 0.08 0.00 0.00 59.36 59.36 1tvi h GLU 98 Cb 0.29 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1tvi h GLU 98 CO -0.00 0.49 -0.49 -0.39 -2.18 0.00 0.00 179.01 176.44 1tvi h VAL 99 N 0.77 1.00 0.44 0.32 -1.51 -1.01 -2.37 116.25 113.89 1tvi h VAL 99 Ca 0.39 -1.94 -0.02 0.00 -1.23 0.00 0.00 66.70 63.90 1tvi h VAL 99 Cb 0.47 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 1tvi h VAL 99 CO -0.16 0.48 -0.21 0.58 -1.23 0.00 0.00 177.57 177.03 1tvi h VAL 100 N 0.00 0.35 0.00 7.19 2.07 -0.28 -2.78 116.25 122.80 1tvi h VAL 100 Ca -0.00 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1tvi h VAL 100 Cb 1.13 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1tvi h VAL 100 CO 0.06 0.07 0.00 0.16 0.02 0.00 0.00 177.57 177.88 1tvi h ILE 101 N -1.01 0.00 -1.00 4.57 3.07 -1.05 -2.06 117.51 120.03 1tvi h ILE 101 Ca -0.06 -0.06 0.19 0.00 1.55 0.00 0.00 64.86 66.48 1tvi h ILE 101 Cb 0.56 0.74 -0.10 0.00 -0.27 0.00 0.00 36.82 37.74 1tvi h ILE 101 CO 0.10 0.00 0.61 -0.74 -1.05 0.00 0.00 178.15 177.07 1tvi h HIS 102 N 0.00 1.03 0.00 0.16 2.76 -1.12 2.16 115.15 120.14 1tvi h HIS 102 Ca 0.00 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1tvi h HIS 102 Cb 0.08 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 28.73 1tvi h HIS 102 CO 0.00 0.23 -0.04 0.78 -1.30 0.00 0.00 177.93 177.60 1tvi h GLY 103 N 0.73 0.00 0.76 5.26 0.00 -1.49 -2.70 103.07 105.64 1tvi h GLY 103 Ca 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.90 1tvi h GLY 103 CO -0.37 0.00 -0.28 -2.22 0.00 0.00 0.00 176.54 173.67 1tvi h ILE 104 N -1.00 0.42 -0.82 2.60 2.04 -1.47 -0.40 117.51 118.88 1tvi h ILE 104 Ca -0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.00 1tvi h ILE 104 Cb 0.74 0.42 -0.10 0.00 -0.74 0.00 0.00 36.82 37.15 1tvi h ILE 104 CO -0.01 0.00 0.39 0.17 0.00 0.00 0.00 178.15 178.71 1tvi h LEU 105 N -0.62 0.44 0.43 1.44 8.10 0.34 1.00 115.31 126.43 1tvi h LEU 105 Ca -0.02 0.10 -0.01 0.00 0.11 0.00 0.00 57.88 58.05 1tvi h LEU 105 Cb 0.55 0.04 -0.02 0.00 -0.44 0.00 0.00 40.66 40.79 1tvi h LEU 105 CO -0.02 0.17 -0.45 0.45 -4.11 0.00 0.00 178.44 174.48 1tvi h HIS 106 N 0.55 -1.26 0.00 0.17 3.86 -1.00 -0.33 115.15 117.13 1tvi h HIS 106 Ca 0.45 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.67 1tvi h HIS 106 Cb 0.67 0.49 -0.00 0.00 1.06 0.00 0.00 27.41 29.63 1tvi h HIS 106 CO -0.12 -0.60 -0.03 1.25 0.86 0.00 0.00 177.93 179.30 1tvi h LEU 107 N -0.89 0.00 -2.33 2.43 7.12 -0.22 0.16 115.31 121.58 1tvi h LEU 107 Ca -0.05 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.95 1tvi h LEU 107 Cb 0.78 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.91 1tvi h LEU 107 CO -0.07 0.03 -0.01 0.00 -0.13 0.00 0.00 178.44 178.26 1tvi h ALA 108 N 1.97 1.62 0.00 1.25 0.00 0.28 -3.44 119.26 120.94 1tvi h ALA 108 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1tvi h ALA 108 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1tvi h ALA 108 CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1tvi n GLY 109 N -1.34 2.13 3.61 0.00 0.00 0.03 -5.06 105.19 104.57 1tvi n GLY 109 Ca -0.03 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 1tvi n GLY 109 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tvi s TYR 110 N 0.00 -0.04 0.21 1.61 1.13 -1.11 -4.80 117.35 114.35 1tvi s TYR 110 Ca 0.00 0.01 -0.02 0.00 -1.41 0.00 0.00 57.07 55.65 1tvi s TYR 110 Cb 0.00 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.33 1tvi s TYR 110 CO 0.00 -0.10 0.17 0.34 -2.51 0.00 0.00 175.55 173.45 1tvi s ASP 111 N -2.36 0.14 -0.67 -0.18 -1.08 -1.26 -4.98 116.67 106.28 1tvi s ASP 111 Ca 0.12 -1.35 -0.29 0.00 -0.52 0.00 0.00 52.55 50.51 1tvi s ASP 111 Cb 0.01 0.40 -0.13 0.00 -1.46 0.00 0.00 42.92 41.74 1tvi s ASP 111 CO -0.04 -0.87 2.51 1.57 0.52 0.00 0.00 175.17 178.86 1tvi n HIS 112 N -0.28 1.11 0.00 -5.34 -0.00 -1.26 -3.47 115.22 105.98 1tvi n HIS 112 Ca 0.02 0.23 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 1tvi n HIS 112 Cb 0.66 -2.53 0.00 0.00 -0.00 0.00 0.00 29.99 28.12 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 8.74 0.00 -2.35 1.57 2.13 -1.26 -5.03 120.64 124.44 1tvi n GLU 113 Ca 0.49 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.88 1tvi n GLU 113 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.03 1tvi n GLU 113 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1tvi n PHE 114 N -0.89 3.50 -0.03 4.31 3.72 -1.23 -4.38 117.46 122.47 1tvi n PHE 114 Ca 0.00 -2.92 -0.05 0.00 -0.05 0.00 0.00 57.45 54.43 1tvi n PHE 114 Cb 0.00 -2.14 -0.02 0.00 -0.94 0.00 0.00 39.48 36.38 1tvi n PHE 114 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1tvi n GLU 115 N 4.85 0.12 -0.64 -1.08 0.28 -1.26 -5.05 120.64 117.86 1tvi n GLU 115 Ca 0.42 0.04 -0.31 0.00 -0.16 0.00 0.00 57.16 57.15 1tvi n GLU 115 Cb 0.38 -0.93 0.19 0.00 1.43 0.00 0.00 31.44 32.51 1tvi n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1tvi n ASP 116 N -2.90 -1.35 -3.90 -1.84 8.00 -1.26 -4.87 116.55 108.42 1tvi n ASP 116 Ca -0.10 0.12 -0.43 0.00 0.71 0.00 0.00 54.79 55.09 1tvi n ASP 116 Cb 0.59 -1.25 0.01 0.00 -0.02 0.00 0.00 41.12 40.44 1tvi n ASP 116 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1tvi n LYS 117 N -3.49 3.98 0.12 -1.24 0.00 -1.26 -4.30 118.16 111.97 1tvi n LYS 117 Ca 0.06 -3.91 0.00 0.00 0.00 0.00 0.00 58.31 54.46 1tvi n LYS 117 Cb 0.55 -2.76 0.00 0.00 0.00 0.00 0.00 35.03 32.82 1tvi n LYS 117 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1tvi n ASN 118 N 2.84 -0.85 -3.34 3.14 2.85 -1.26 -5.10 115.26 113.54 1tvi n ASN 118 Ca 0.35 0.41 -0.26 0.00 -0.11 0.00 0.00 54.58 54.97 1tvi n ASN 118 Cb 0.35 0.95 0.03 0.00 1.24 0.00 0.00 39.78 42.34 1tvi n ASN 118 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1tvi n SER 119 N -3.16 -6.10 -0.07 1.20 7.64 -1.26 -4.87 113.62 107.01 1tvi n SER 119 Ca 0.00 0.10 -0.09 0.00 1.01 0.00 0.00 58.87 59.89 1tvi n SER 119 Cb 0.00 -2.21 -0.07 0.00 -1.01 0.00 0.00 64.21 60.92 1tvi n SER 119 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1tvi h LYS 120 N 2.43 0.00 0.06 1.43 3.11 -1.98 -3.06 116.57 118.56 1tvi h LYS 120 Ca -0.37 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.26 1tvi h LYS 120 Cb 1.23 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.48 1tvi h LYS 120 CO 0.17 0.51 -0.88 1.49 -2.81 0.00 0.00 179.45 177.93 1tvi h GLU 121 N -1.00 0.49 -0.16 1.90 4.57 -2.03 -3.21 114.58 115.14 1tvi h GLU 121 Ca -0.04 -0.61 0.05 0.00 -1.18 0.00 0.00 59.36 57.57 1tvi h GLU 121 Cb 0.61 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 1tvi h GLU 121 CO -0.03 1.24 0.13 1.98 -1.18 0.00 0.00 179.01 181.15 1tvi h MET 122 N 0.01 0.00 -0.67 1.92 4.05 -1.95 -1.95 114.93 116.33 1tvi h MET 122 Ca -0.13 0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.42 1tvi h MET 122 Cb 1.60 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 32.31 1tvi h MET 122 CO 0.17 0.00 0.21 0.35 0.23 0.00 0.00 176.91 177.87 1tvi h PHE 123 N 0.00 0.34 0.36 1.39 3.04 -1.53 0.84 116.94 121.38 1tvi h PHE 123 Ca 0.07 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.06 1tvi h PHE 123 Cb 0.33 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 1tvi h PHE 123 CO 0.00 0.01 -0.33 0.93 -2.02 0.00 0.00 178.31 176.90 1tvi h GLU 124 N 0.34 -0.68 -0.16 1.11 5.08 -1.51 1.24 114.58 120.00 1tvi h GLU 124 Ca 0.36 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 1tvi h GLU 124 Cb 0.54 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1tvi h GLU 124 CO -0.41 -0.45 0.03 0.87 -1.00 0.00 0.00 179.01 178.05 1tvi h LYS 125 N -0.71 0.22 -0.07 2.33 1.57 -1.44 0.12 116.57 118.60 1tvi h LYS 125 Ca -0.02 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1tvi h LYS 125 Cb 0.63 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1tvi h LYS 125 CO -0.05 0.22 -0.67 0.37 -0.57 0.00 0.00 179.45 178.76 1tvi h GLN 126 N 0.22 0.29 0.00 3.15 4.15 0.17 -2.90 115.11 120.20 1tvi h GLN 126 Ca 0.06 -0.22 -0.12 0.00 0.77 0.00 0.00 58.65 59.14 1tvi h GLN 126 Cb 0.11 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1tvi h GLN 126 CO -0.00 0.85 -0.56 1.57 -1.93 0.00 0.00 178.83 178.77 1tvi h LYS 127 N 0.20 0.00 0.36 1.69 2.10 0.29 -1.77 116.57 119.45 1tvi h LYS 127 Ca -0.02 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1tvi h LYS 127 Cb 1.21 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.51 1tvi h LYS 127 CO 0.11 0.56 -0.47 -0.22 -2.00 0.00 0.00 179.45 177.42 1tvi h LYS 128 N 0.00 -0.84 -0.39 0.07 1.63 -0.82 0.74 116.57 116.96 1tvi h LYS 128 Ca -0.01 0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.74 1tvi h LYS 128 Cb 1.11 0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.93 1tvi h LYS 128 CO 0.07 -0.56 -0.18 1.88 -3.45 0.00 0.00 179.45 177.21 1tvi h TYR 129 N -0.87 0.93 -0.83 1.91 0.05 -1.58 -2.72 116.97 113.86 1tvi h TYR 129 Ca -0.03 -0.23 0.10 0.00 0.05 0.00 0.00 58.73 58.62 1tvi h TYR 129 Cb 0.80 -0.21 -0.08 0.00 1.01 0.00 0.00 36.73 38.25 1tvi h TYR 129 CO -0.29 0.98 0.47 0.28 -1.05 0.00 0.00 178.16 178.55 1tvi h VAL 130 N 0.61 0.88 -0.44 -2.88 2.07 -1.05 0.52 116.25 115.95 1tvi h VAL 130 Ca 0.09 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1tvi h VAL 130 Cb 0.74 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1tvi h VAL 130 CO 0.06 0.14 0.12 -0.33 0.02 0.00 0.00 177.57 177.58 1tvi h GLU 131 N 0.77 0.66 -0.05 1.57 5.08 0.66 1.98 114.58 125.24 1tvi h GLU 131 Ca 0.41 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.60 1tvi h GLU 131 Cb 0.41 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1tvi h GLU 131 CO -0.26 0.59 -0.18 0.93 -1.00 0.00 0.00 179.01 179.08 1tvi h GLU 132 N 0.64 0.22 0.23 2.33 4.39 -0.45 0.18 114.58 122.13 1tvi h GLU 132 Ca 0.15 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1tvi h GLU 132 Cb 0.22 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1tvi h GLU 132 CO -0.01 0.79 -0.11 0.28 -1.16 0.00 0.00 179.01 178.80 1tvi h VAL 133 N -0.31 0.69 0.00 3.13 2.07 0.15 -2.83 116.25 119.14 1tvi h VAL 133 Ca -0.01 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1tvi h VAL 133 Cb 0.81 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1tvi h VAL 133 CO 0.04 0.16 0.00 1.87 0.02 0.00 0.00 177.57 179.66 1tvi n TRP 134 N -5.01 0.78 -0.15 1.57 -0.00 0.67 -1.90 117.44 113.39 1tvi n TRP 134 Ca -0.08 0.37 0.27 0.00 -0.00 0.00 0.00 57.50 58.07 1tvi n TRP 134 Cb 0.26 -1.10 0.72 0.00 -0.00 0.00 0.00 31.31 31.19 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 0.71 0.00 0.00 5.87 0.00 -0.36 2.14 103.07 111.43 1tvi h GLY 135 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1tvi h GLY 135 CO 0.00 0.00 -0.62 -2.09 0.00 0.00 0.00 176.54 173.83 1tvi h GLU 136 N 0.00 0.00 -0.00 4.80 4.81 -1.53 -3.34 114.58 119.32 1tvi h GLU 136 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1tvi h GLU 136 Cb 1.62 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.00 1tvi h GLU 136 CO -0.00 0.41 0.03 -1.49 -0.73 0.00 0.00 179.01 177.22 1tvi h TRP 137 N -1.00 0.00 -0.58 0.92 6.55 -1.52 -0.22 115.95 120.09 1tvi h TRP 137 Ca -0.11 0.00 0.17 0.00 0.95 0.00 0.00 58.89 59.90 1tvi h TRP 137 Cb 0.73 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.01 1tvi h TRP 137 CO -0.04 0.00 0.47 0.00 -1.05 0.00 0.00 178.44 177.82 1tvi h ARG 138 N 0.00 0.00 0.00 0.49 3.08 0.34 1.56 114.38 119.85 1tvi h ARG 138 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1tvi h ARG 138 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1tvi h ARG 138 CO -0.00 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.33 1tvi n SER 139 N -4.12 0.37 -3.17 7.04 7.64 -0.09 -3.80 113.62 117.48 1tvi n SER 139 Ca 0.11 0.54 -0.21 0.00 1.01 0.00 0.00 58.87 60.32 1tvi n SER 139 Cb 0.70 -0.64 -0.04 0.00 -1.01 0.00 0.00 64.21 63.21 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 -1.85 1.28 -0.03 6.43 0.23 0.53 -4.93 115.26 116.92 1tvi n ASN 140 Ca 0.06 -3.04 -0.14 0.00 -0.53 0.00 0.00 54.58 50.93 1tvi n ASN 140 Cb 0.35 -0.62 -0.11 0.00 -2.08 0.00 0.00 39.78 37.32 1tvi n ASN 140 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 1tvi h PRO 141 N 3.31 0.11 -0.31 -0.53 0.13 -1.56 -3.32 132.00 129.84 1tvi h PRO 141 Ca 0.10 -0.11 -0.07 0.00 -0.87 0.00 0.00 66.00 65.05 1tvi h PRO 141 Cb 0.87 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1tvi h PRO 141 CO 0.55 0.84 -0.10 0.77 -0.23 0.00 0.00 178.00 179.83 1tvi h SER 142 N -0.57 0.62 -4.90 1.44 0.02 -1.91 -3.42 113.55 104.83 1tvi h SER 142 Ca -0.02 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1tvi h SER 142 Cb 0.88 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1tvi h SER 142 CO 0.03 0.86 -0.31 -1.84 -1.14 0.00 0.00 176.83 174.42 1tvi n GLU 143 N -4.44 -0.67 -3.00 3.45 -0.00 -1.25 -3.99 120.64 110.74 1tvi n GLU 143 Ca -0.03 0.80 -0.01 0.00 -0.00 0.00 0.00 57.16 57.93 1tvi n GLU 143 Cb 0.34 -0.68 -0.01 0.00 -0.00 0.00 0.00 31.44 31.10 1tvi n GLU 143 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1tvi n ASP 144 N 1.84 -6.31 -2.69 -1.84 5.75 -1.26 -5.00 116.55 107.04 1tvi n ASP 144 Ca 0.00 0.88 -0.05 0.00 -0.01 0.00 0.00 54.79 55.61 1tvi n ASP 144 Cb 0.16 -2.73 0.07 0.00 -1.03 0.00 0.00 41.12 37.58 1tvi n ASP 144 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1tvi n SER 145 N 1.61 -1.70 -3.88 -1.12 2.88 -1.26 -5.15 113.62 105.01 1tvi n SER 145 Ca -0.06 -2.08 -0.16 0.00 -1.33 0.00 0.00 58.87 55.24 1tvi n SER 145 Cb 0.29 0.98 -0.15 0.00 -0.75 0.00 0.00 64.21 64.57 1tvi n SER 145 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1tvi s ASP 146 N -0.48 0.46 -0.07 -3.46 1.47 -1.26 -5.06 116.67 108.28 1tvi s ASP 146 Ca 0.27 -0.05 -0.17 0.00 1.18 0.00 0.00 52.55 53.78 1tvi s ASP 146 Cb 0.20 -0.16 -0.13 0.00 -0.34 0.00 0.00 42.92 42.50 1tvi s ASP 146 CO -0.12 -0.02 0.65 1.55 0.68 0.00 0.00 175.17 177.90 1tvi h PRO 147 N 6.66 -0.19 0.00 2.11 0.13 -2.06 -3.48 132.00 135.17 1tvi h PRO 147 Ca -0.35 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1tvi h PRO 147 Cb 1.17 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1tvi h PRO 147 CO 0.49 0.19 0.00 0.41 -0.23 0.00 0.00 178.00 178.86 1tvi n GLY 148 N 0.93 -0.19 3.65 1.56 0.00 -1.26 -5.18 105.19 104.70 1tvi n GLY 148 Ca -0.06 0.38 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 1tvi n GLY 148 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1tvi s LYS 149 N 0.00 0.05 0.00 1.61 2.20 -1.26 -5.35 119.74 116.99 1tvi s LYS 149 Ca 0.00 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 1tvi s LYS 149 Cb 0.00 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 1tvi s LYS 149 CO 0.00 -0.01 0.00 2.89 -0.36 0.00 0.00 175.35 177.87