#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 5.00 -0.05 2.02 1.09 -1.26 -2.78 121.20 125.22 1tvi s ILE 2 Ca 0.00 -0.88 -0.02 0.00 -1.10 0.00 0.00 60.65 58.65 1tvi s ILE 2 Cb 0.00 -3.59 0.04 0.00 -1.06 0.00 0.00 42.46 37.85 1tvi s ILE 2 CO 0.00 -0.13 0.09 -0.13 -0.10 0.00 0.00 174.94 174.67 1tvi s ARG 3 N -3.29 0.01 -0.63 2.79 0.52 0.26 -4.80 118.95 113.82 1tvi s ARG 3 Ca 0.33 0.32 -0.22 0.00 -0.52 0.00 0.00 55.73 55.65 1tvi s ARG 3 Cb -0.10 -0.26 0.08 0.00 0.52 0.00 0.00 34.95 35.19 1tvi s ARG 3 CO 0.27 -0.20 0.88 0.42 0.02 0.00 0.00 175.30 176.69 1tvi s ILE 4 N 1.37 4.48 0.10 1.52 1.01 -1.26 -1.32 121.20 127.09 1tvi s ILE 4 Ca -0.06 -0.48 -0.21 0.00 0.00 0.00 0.00 60.65 59.90 1tvi s ILE 4 Cb -0.12 -4.61 -0.07 0.00 0.01 0.00 0.00 42.46 37.67 1tvi s ILE 4 CO -0.04 -1.32 0.64 -0.22 0.00 0.00 0.00 174.94 174.00 1tvi s LEU 5 N 3.64 4.55 0.00 2.97 1.98 0.32 -4.89 118.68 127.25 1tvi s LEU 5 Ca 0.20 1.39 0.00 0.00 -2.89 0.00 0.00 54.13 52.83 1tvi s LEU 5 Cb -0.18 -3.04 0.00 0.00 0.66 0.00 0.00 46.19 43.63 1tvi s LEU 5 CO 0.10 0.24 0.00 0.61 -1.89 0.00 0.00 176.35 175.41 1tvi n GLY 6 N 1.72 1.80 3.40 7.98 0.00 -1.26 -1.40 105.19 117.43 1tvi n GLY 6 Ca -0.08 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1tvi n GLY 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tvi s GLU 7 N 0.00 1.13 0.00 1.61 4.04 -1.22 -4.83 118.70 119.43 1tvi s GLU 7 Ca 0.00 -0.35 0.00 0.00 0.04 0.00 0.00 54.97 54.66 1tvi s GLU 7 Cb 0.00 0.52 0.00 0.00 0.02 0.00 0.00 34.13 34.67 1tvi s GLU 7 CO 0.00 -0.45 0.00 0.41 -1.84 0.00 0.00 175.26 173.38 1tvi n GLY 8 N 0.06 4.37 3.39 -3.83 0.00 -1.26 -4.21 105.19 103.70 1tvi n GLY 8 Ca -0.17 -1.37 -0.49 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.91 0.01 0.00 1.61 4.81 -1.26 -1.59 118.16 119.83 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 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 33.54 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 6.94 1.21 0.30 3.14 0.00 -1.26 -4.74 105.19 110.79 1tvi n GLY 10 Ca 0.61 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 46.46 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 1.11 -0.73 -0.28 1.61 0.87 -1.69 0.17 113.55 114.60 1tvi h SER 11 Ca 0.00 0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.53 1tvi h SER 11 Cb 0.00 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1tvi h SER 11 CO 0.00 -0.37 -0.23 0.07 -0.53 0.00 0.00 176.83 175.76 1tvi h LYS 12 N -0.53 0.66 -0.88 2.24 2.10 -1.95 -2.26 116.57 115.94 1tvi h LYS 12 Ca 0.01 -0.33 0.24 0.00 -2.00 0.00 0.00 60.65 58.56 1tvi h LYS 12 Cb 0.52 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.80 1tvi h LYS 12 CO -0.09 0.93 0.62 1.25 -2.00 0.00 0.00 179.45 180.15 1tvi h LEU 13 N 0.39 0.14 0.08 7.07 5.85 -1.87 0.40 115.31 127.37 1tvi h LEU 13 Ca 0.05 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1tvi h LEU 13 Cb 0.79 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1tvi h LEU 13 CO 0.06 0.05 -0.04 0.25 -0.34 0.00 0.00 178.44 178.42 1tvi h LEU 14 N 0.14 -0.09 -1.84 2.25 7.12 -0.30 -3.01 115.31 119.58 1tvi h LEU 14 Ca 0.44 -0.51 0.01 0.00 0.13 0.00 0.00 57.88 57.95 1tvi h LEU 14 Cb 1.50 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 41.65 1tvi h LEU 14 CO -0.07 0.57 0.40 -0.33 -0.13 0.00 0.00 178.44 178.88 1tvi h GLU 15 N -0.86 0.00 0.03 1.25 5.08 -0.44 1.32 114.58 120.96 1tvi h GLU 15 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1tvi h GLU 15 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1tvi h GLU 15 CO 0.02 0.00 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.11 1tvi h ASN 16 N 0.00 -0.03 -0.79 1.42 2.35 -0.94 -3.31 115.58 114.28 1tvi h ASN 16 Ca 0.02 -0.69 -0.50 0.00 -0.55 0.00 0.00 56.30 54.58 1tvi h ASN 16 Cb 0.82 0.01 -0.28 0.00 0.05 0.00 0.00 38.32 38.92 1tvi h ASN 16 CO -0.00 0.72 0.25 0.00 -1.65 0.00 0.00 177.43 176.74 1tvi n LEU 17 N -4.74 6.07 -0.00 1.61 -0.00 0.55 -4.61 117.00 115.88 1tvi n LEU 17 Ca -0.09 -4.14 -0.13 0.00 -0.00 0.00 0.00 56.01 51.66 1tvi n LEU 17 Cb 0.35 -0.74 -0.10 0.00 -0.00 0.00 0.00 43.42 42.94 1tvi n LEU 17 CO 0.31 1.48 0.59 0.50 -0.00 0.00 0.00 177.39 180.26 1tvi h LYS 18 N 1.60 -0.04 -0.13 1.47 3.64 0.15 -2.99 116.57 120.27 1tvi h LYS 18 Ca 0.47 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.84 1tvi h LYS 18 Cb 1.56 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.38 1tvi h LYS 18 CO 1.04 0.47 0.02 1.05 -2.27 0.00 0.00 179.45 179.76 1tvi h GLU 19 N -0.58 0.18 -0.79 1.90 4.11 -1.83 -0.72 114.58 116.84 1tvi h GLU 19 Ca -0.00 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.42 1tvi h GLU 19 Cb 0.54 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 1tvi h GLU 19 CO 0.01 0.18 0.52 -0.22 0.07 0.00 0.00 179.01 179.56 1tvi h LYS 20 N 0.18 1.01 0.00 1.06 1.63 -1.85 -0.51 116.57 118.08 1tvi h LYS 20 Ca 0.04 -0.06 -0.17 0.00 -0.85 0.00 0.00 60.65 59.61 1tvi h LYS 20 Cb 0.09 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 1tvi h LYS 20 CO -0.00 0.67 -0.83 -0.07 -3.45 0.00 0.00 179.45 175.77 1tvi h LEU 21 N 1.04 0.00 -2.32 5.20 3.38 -1.04 -3.07 115.31 118.50 1tvi h LEU 21 Ca 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1tvi h LEU 21 Cb -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1tvi h LEU 21 CO -0.07 0.83 -0.02 -0.33 0.09 0.00 0.00 178.44 178.94 1tvi h GLU 22 N 0.00 0.00 0.06 1.13 5.08 0.13 -1.10 114.58 119.87 1tvi h GLU 22 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1tvi h GLU 22 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 1tvi h GLU 22 CO 0.11 0.02 -0.03 0.93 -1.00 0.00 0.00 179.01 179.04 1tvi h GLU 23 N 0.00 -0.07 -0.38 2.33 5.08 -1.27 0.14 114.58 120.41 1tvi h GLU 23 Ca -0.00 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1tvi h GLU 23 Cb 0.22 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1tvi h GLU 23 CO 0.00 0.53 0.24 -0.84 -1.00 0.00 0.00 179.01 177.95 1tvi h ILE 24 N -0.84 1.09 -0.53 3.13 3.07 -1.56 0.97 117.51 122.84 1tvi h ILE 24 Ca -0.01 -0.17 -0.06 0.00 1.55 0.00 0.00 64.86 66.17 1tvi h ILE 24 Cb 0.64 0.54 -0.02 0.00 -0.27 0.00 0.00 36.82 37.71 1tvi h ILE 24 CO 0.01 0.09 0.11 1.62 -1.05 0.00 0.00 178.15 178.93 1tvi h VAL 25 N 0.50 1.25 -0.41 0.16 3.04 -1.31 -0.59 116.25 118.89 1tvi h VAL 25 Ca 0.14 -0.90 -0.07 0.00 -1.01 0.00 0.00 66.70 64.86 1tvi h VAL 25 Cb -0.05 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 30.04 1tvi h VAL 25 CO -0.04 0.33 -0.02 0.50 -1.01 0.00 0.00 177.57 177.33 1tvi h LYS 26 N 0.74 0.67 -0.54 4.17 3.64 -0.12 0.74 116.57 125.87 1tvi h LYS 26 Ca 0.16 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1tvi h LYS 26 Cb 0.37 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1tvi h LYS 26 CO 0.01 0.70 0.14 -0.22 -2.27 0.00 0.00 179.45 177.81 1tvi h LYS 27 N 0.63 0.86 0.37 1.90 3.64 0.15 -3.27 116.57 120.85 1tvi h LYS 27 Ca 0.13 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1tvi h LYS 27 Cb 0.42 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1tvi h LYS 27 CO 0.02 0.81 -0.18 1.49 -2.27 0.00 0.00 179.45 179.32 1tvi h GLU 28 N 0.76 -0.48 0.00 1.90 4.22 -0.62 -3.47 114.58 116.90 1tvi h GLU 28 Ca 0.17 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.64 1tvi h GLU 28 Cb 0.33 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1tvi h GLU 28 CO 0.00 -0.32 0.00 1.51 -2.18 0.00 0.00 179.01 178.02 1tvi n ILE 29 N -4.86 0.00 0.00 2.32 3.06 0.17 -5.07 119.36 114.97 1tvi n ILE 29 Ca -0.06 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.19 1tvi n ILE 29 Cb 0.20 -0.37 0.00 0.00 0.54 0.00 0.00 39.64 40.00 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 1.46 1.78 2.99 4.50 0.00 0.21 -4.70 105.19 111.42 1tvi n GLY 30 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.00 -0.82 0.00 1.61 -1.08 -1.26 -4.83 116.67 108.29 1tvi s ASP 31 Ca 0.00 -0.28 0.00 0.00 -0.52 0.00 0.00 52.55 51.75 1tvi s ASP 31 Cb 0.00 1.16 0.00 0.00 -1.46 0.00 0.00 42.92 42.62 1tvi s ASP 31 CO 0.00 -0.11 0.00 1.33 0.52 0.00 0.00 175.17 176.91 1tvi n VAL 32 N 4.29 0.00 -3.33 1.11 0.24 -1.26 -4.75 118.33 114.63 1tvi n VAL 32 Ca 0.08 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.29 1tvi n VAL 32 Cb 0.60 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.89 1tvi n VAL 32 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1tvi s HIS 33 N -2.29 -0.89 -0.29 6.34 -3.43 -1.24 0.89 115.29 114.37 1tvi s HIS 33 Ca 0.00 0.81 -0.00 0.00 -0.80 0.00 0.00 55.06 55.07 1tvi s HIS 33 Cb 0.00 0.02 0.09 0.00 -1.43 0.00 0.00 32.58 31.26 1tvi s HIS 33 CO 0.00 -0.76 0.07 0.08 -2.00 0.00 0.00 174.74 172.12 1tvi s VAL 34 N 2.56 1.13 -0.48 -5.38 1.01 -1.12 -3.59 120.40 114.53 1tvi s VAL 34 Ca 0.13 -1.44 -0.14 0.00 0.00 0.00 0.00 61.98 60.53 1tvi s VAL 34 Cb -0.15 -1.78 0.10 0.00 0.00 0.00 0.00 36.38 34.55 1tvi s VAL 34 CO -0.18 -0.56 0.39 0.20 0.00 0.00 0.00 175.10 174.96 1tvi s ASN 35 N 1.51 6.01 -0.02 3.32 -0.87 -0.61 0.92 114.94 125.19 1tvi s ASN 35 Ca 0.07 -1.56 -0.21 0.00 -1.57 0.00 0.00 52.86 49.59 1tvi s ASN 35 Cb -0.18 -2.13 -0.05 0.00 -0.02 0.00 0.00 41.25 38.87 1tvi s ASN 35 CO -0.19 -0.69 0.61 0.68 -2.57 0.00 0.00 177.10 174.94 1tvi s VAL 36 N 1.56 4.95 -0.48 1.60 -7.23 -0.44 -2.30 120.40 118.05 1tvi s VAL 36 Ca 0.04 1.27 -0.20 0.00 -1.81 0.00 0.00 61.98 61.27 1tvi s VAL 36 Cb -0.26 -3.95 0.04 0.00 0.56 0.00 0.00 36.38 32.78 1tvi s VAL 36 CO 0.04 0.38 0.66 -0.63 -0.31 0.00 0.00 175.10 175.25 1tvi s ILE 37 N 0.03 4.80 -0.39 -0.62 1.09 0.14 0.12 121.20 126.38 1tvi s ILE 37 Ca 0.32 -0.14 -0.28 0.00 -1.10 0.00 0.00 60.65 59.45 1tvi s ILE 37 Cb -0.18 -4.28 0.02 0.00 -1.06 0.00 0.00 42.46 36.96 1tvi s ILE 37 CO 0.17 -0.74 1.03 -0.76 -0.10 0.00 0.00 174.94 174.53 1tvi s LEU 38 N 2.85 3.88 -0.06 2.97 1.43 -0.49 -0.54 118.68 128.72 1tvi s LEU 38 Ca 0.20 0.66 -0.05 0.00 -1.03 0.00 0.00 54.13 53.92 1tvi s LEU 38 Cb -0.16 -3.42 0.02 0.00 0.03 0.00 0.00 46.19 42.66 1tvi s LEU 38 CO 0.16 -0.98 0.16 0.68 0.23 0.00 0.00 176.35 176.60 1tvi s VAL 39 N 3.80 -0.02 0.00 -1.59 -7.23 -0.53 -3.44 120.40 111.40 1tvi s VAL 39 Ca 0.43 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.65 1tvi s VAL 39 Cb -0.11 -0.24 0.00 0.00 0.56 0.00 0.00 36.38 36.59 1tvi s VAL 39 CO 0.22 0.02 0.00 -1.54 -0.31 0.00 0.00 175.10 173.49 1tvi n SER 40 N 3.39 -0.43 -0.03 4.85 3.41 -1.26 -3.73 113.62 119.81 1tvi n SER 40 Ca -0.17 -0.30 -0.17 0.00 -0.26 0.00 0.00 58.87 57.98 1tvi n SER 40 Cb 0.57 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 1tvi n SER 40 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1tvi h GLU 41 N 0.00 0.68 -0.08 4.33 4.81 -1.93 -0.77 114.58 121.63 1tvi h GLU 41 Ca 0.00 -0.54 -0.14 0.00 -0.13 0.00 0.00 59.36 58.55 1tvi h GLU 41 Cb 0.00 0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.49 1tvi h GLU 41 CO 0.00 1.16 -0.51 0.22 -0.73 0.00 0.00 179.01 179.15 1tvi h ASP 42 N 0.37 0.58 -0.73 1.04 1.82 -1.98 0.38 116.42 117.90 1tvi h ASP 42 Ca -0.04 -0.67 -0.00 0.00 -0.39 0.00 0.00 57.03 55.93 1tvi h ASP 42 Cb 1.26 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 41.06 1tvi h ASP 42 CO 0.13 1.16 0.45 -0.33 -1.61 0.00 0.00 179.24 179.04 1tvi h GLU 43 N 0.05 0.99 0.10 0.28 4.39 -1.90 -1.94 114.58 116.55 1tvi h GLU 43 Ca -0.04 -0.08 -0.26 0.00 0.34 0.00 0.00 59.36 59.31 1tvi h GLU 43 Cb 1.17 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1tvi h GLU 43 CO 0.10 0.69 -1.21 0.97 -1.16 0.00 0.00 179.01 178.40 1tvi h ILE 44 N 1.01 1.52 -0.62 3.13 2.10 -1.11 -2.24 117.51 121.31 1tvi h ILE 44 Ca 0.27 -3.13 0.13 0.00 1.08 0.00 0.00 64.86 63.21 1tvi h ILE 44 Cb -0.05 2.91 -0.10 0.00 -1.09 0.00 0.00 36.82 38.49 1tvi h ILE 44 CO -0.05 0.91 0.02 0.50 -1.08 0.00 0.00 178.15 178.45 1tvi h LYS 45 N 0.06 0.13 0.08 2.19 3.11 0.52 0.67 116.57 123.33 1tvi h LYS 45 Ca -0.11 -0.01 -0.25 0.00 -2.81 0.00 0.00 60.65 57.47 1tvi h LYS 45 Cb 1.93 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 33.13 1tvi h LYS 45 CO 0.18 0.09 -1.13 0.93 -2.81 0.00 0.00 179.45 176.71 1tvi h GLU 46 N 0.14 0.27 0.08 1.90 5.08 -1.52 -3.05 114.58 117.47 1tvi h GLU 46 Ca 0.33 -0.40 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1tvi h GLU 46 Cb 0.53 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1tvi h GLU 46 CO -0.52 1.15 -0.18 1.25 -1.00 0.00 0.00 179.01 179.71 1tvi h LEU 47 N 0.10 -0.52 -0.62 1.33 7.12 -0.37 -1.80 115.31 120.56 1tvi h LEU 47 Ca -0.10 0.06 0.07 0.00 0.13 0.00 0.00 57.88 58.04 1tvi h LEU 47 Cb 1.83 0.20 -0.06 0.00 -0.53 0.00 0.00 40.66 42.11 1tvi h LEU 47 CO 0.18 -0.26 0.31 -1.13 -0.13 0.00 0.00 178.44 177.41 1tvi h ASN 48 N -0.34 0.42 -0.98 1.25 -0.73 0.17 0.89 115.58 116.26 1tvi h ASN 48 Ca 0.03 0.05 0.27 0.00 1.87 0.00 0.00 56.30 58.51 1tvi h ASN 48 Cb 0.37 -0.03 -0.06 0.00 0.27 0.00 0.00 38.32 38.88 1tvi h ASN 48 CO -0.12 0.26 0.68 1.56 -0.37 0.00 0.00 177.43 179.44 1tvi h GLN 49 N 0.56 0.15 -0.51 6.67 1.08 -1.24 1.69 115.11 123.52 1tvi h GLN 49 Ca 0.29 -0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.63 1tvi h GLN 49 Cb 0.25 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1tvi h GLN 49 CO -0.22 0.10 0.43 1.96 -0.95 0.00 0.00 178.83 180.15 1tvi h GLN 50 N 0.16 0.00 0.00 1.46 4.20 -0.14 0.75 115.11 121.54 1tvi h GLN 50 Ca 0.49 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.19 1tvi h GLN 50 Cb 1.67 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.44 1tvi h GLN 50 CO -0.10 0.00 -1.03 1.19 -0.67 0.00 0.00 178.83 178.22 1tvi n PHE 51 N -4.07 0.00 0.16 2.96 3.72 0.23 -4.72 117.46 115.74 1tvi n PHE 51 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1tvi n PHE 51 Cb 0.64 -0.02 0.26 0.00 -0.94 0.00 0.00 39.48 39.43 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 -0.02 0.02 0.00 -1.08 2.47 0.21 -3.46 114.38 112.53 1tvi h ARG 52 Ca -0.01 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1tvi h ARG 52 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1tvi h ARG 52 CO -0.01 0.50 0.00 0.41 0.56 0.00 0.00 179.97 181.43 1tvi n GLY 53 N -0.13 0.48 3.14 0.04 0.00 0.26 -4.92 105.19 104.06 1tvi n GLY 53 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.56 0.77 -0.62 1.61 -2.07 -1.26 -4.93 119.66 112.59 1tvi s GLN 54 Ca 0.00 -1.32 -0.28 0.00 -1.82 0.00 0.00 55.36 51.95 1tvi s GLN 54 Cb 0.00 0.05 0.03 0.00 -1.09 0.00 0.00 33.01 32.00 1tvi s GLN 54 CO 0.00 -0.11 1.26 0.34 -1.32 0.00 0.00 175.29 175.46 1tvi s ASP 55 N -3.00 6.30 -0.24 12.60 3.68 -1.26 -3.76 116.67 130.99 1tvi s ASP 55 Ca 0.13 -0.01 -0.04 0.00 2.13 0.00 0.00 52.55 54.76 1tvi s ASP 55 Cb 0.07 -2.55 0.09 0.00 -1.45 0.00 0.00 42.92 39.08 1tvi s ASP 55 CO -0.05 -1.63 0.16 -0.13 0.13 0.00 0.00 175.17 173.65 1tvi s ARG 56 N 5.29 0.18 0.92 4.34 1.81 -1.26 -5.11 118.95 125.11 1tvi s ARG 56 Ca 0.43 -0.20 -0.12 0.00 -1.72 0.00 0.00 55.73 54.11 1tvi s ARG 56 Cb -0.08 -1.27 0.14 0.00 -0.45 0.00 0.00 34.95 33.29 1tvi s ARG 56 CO 0.22 -0.86 1.14 -1.25 -0.68 0.00 0.00 175.30 173.88 1tvi s PRO 57 N 2.20 1.10 0.15 3.54 0.04 -1.26 -4.85 135.00 135.91 1tvi s PRO 57 Ca 0.07 0.27 -0.25 0.00 0.04 0.00 0.00 61.00 61.13 1tvi s PRO 57 Cb -0.16 -1.84 0.07 0.00 0.04 0.00 0.00 34.50 32.62 1tvi s PRO 57 CO -0.24 -2.22 1.00 -0.08 0.04 0.00 0.00 177.00 175.49 1tvi s THR 58 N -3.28 0.00 -0.04 1.26 -1.32 -1.26 -5.05 115.64 105.94 1tvi s THR 58 Ca 0.64 -0.62 -0.24 0.00 -1.21 0.00 0.00 61.69 60.26 1tvi s THR 58 Cb -0.15 -2.14 -0.22 0.00 -1.51 0.00 0.00 72.50 68.48 1tvi s THR 58 CO 0.53 0.00 1.08 0.44 -2.21 0.00 0.00 174.62 174.46 1tvi h ASP 59 N 2.00 0.23 -3.26 8.08 3.32 -1.94 -3.43 116.42 121.42 1tvi h ASP 59 Ca -0.25 -0.72 -0.06 0.00 0.02 0.00 0.00 57.03 56.02 1tvi h ASP 59 Cb 1.23 -0.07 -0.24 0.00 0.22 0.00 0.00 39.33 40.47 1tvi h ASP 59 CO 0.27 0.92 -0.13 0.54 -1.72 0.00 0.00 179.24 179.12 1tvi s VAL 60 N -3.34 -0.01 -0.05 -1.35 0.11 -1.26 -3.50 120.40 111.00 1tvi s VAL 60 Ca -0.16 0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 58.81 1tvi s VAL 60 Cb 0.01 -0.79 -0.05 0.00 -1.53 0.00 0.00 36.38 34.02 1tvi s VAL 60 CO 0.74 0.02 0.33 -0.76 -3.33 0.00 0.00 175.10 172.09 1tvi s LEU 61 N 1.30 4.43 -0.09 2.54 1.02 0.26 -4.99 118.68 123.15 1tvi s LEU 61 Ca -0.08 0.78 -0.02 0.00 0.02 0.00 0.00 54.13 54.83 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 -0.13 0.32 0.00 0.28 0.02 0.00 0.00 176.35 176.84 1tvi s THR 62 N -0.87 4.31 0.28 5.49 -1.32 -1.26 0.27 115.64 122.54 1tvi s THR 62 Ca 0.21 -0.25 -0.28 0.00 -1.21 0.00 0.00 61.69 60.16 1tvi s THR 62 Cb -0.15 -2.81 -0.09 0.00 -1.51 0.00 0.00 72.50 67.93 1tvi s THR 62 CO 0.10 0.60 0.94 0.12 -2.21 0.00 0.00 174.62 174.17 1tvi s PHE 63 N -0.86 3.85 -0.44 9.09 5.36 -1.24 -4.88 117.98 128.85 1tvi s PHE 63 Ca 0.13 1.84 -0.29 0.00 -0.96 0.00 0.00 56.93 57.66 1tvi s PHE 63 Cb -0.11 -2.94 0.01 0.00 -0.34 0.00 0.00 43.02 39.63 1tvi s PHE 63 CO 0.02 0.34 1.43 -1.25 -1.46 0.00 0.00 175.22 174.30 1tvi s PRO 64 N -1.60 3.50 -0.08 10.12 0.04 -1.26 -4.63 135.00 141.09 1tvi s PRO 64 Ca 0.45 0.85 0.03 0.00 0.04 0.00 0.00 61.00 62.38 1tvi s PRO 64 Cb -0.22 -4.05 0.10 0.00 0.04 0.00 0.00 34.50 30.36 1tvi s PRO 64 CO 0.28 -1.66 0.70 1.47 0.04 0.00 0.00 177.00 177.83 1tvi n LEU 65 N 9.06 -0.48 -4.50 -3.56 -0.00 -1.26 -5.09 117.00 111.17 1tvi n LEU 65 Ca 0.16 -1.43 -0.34 0.00 -0.00 0.00 0.00 56.01 54.40 1tvi n LEU 65 Cb 0.48 0.43 -0.17 0.00 -0.00 0.00 0.00 43.42 44.16 1tvi n LEU 65 CO 0.71 1.12 2.15 0.80 -0.00 0.00 0.00 177.39 182.17 1tvi n MET 66 N -0.37 0.06 -1.98 1.47 1.56 -1.26 -4.77 117.12 111.82 1tvi n MET 66 Ca -0.08 -0.02 0.00 0.00 -0.27 0.00 0.00 57.70 57.33 1tvi n MET 66 Cb 0.56 -1.46 0.00 0.00 2.15 0.00 0.00 33.22 34.47 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 7.49 0.48 -0.26 2.12 -0.58 -1.26 -5.02 120.64 123.61 1tvi n GLU 67 Ca 0.65 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 57.43 1tvi n GLU 67 Cb 0.10 0.00 0.09 0.00 -0.57 0.00 0.00 31.44 31.06 1tvi n GLU 67 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1tvi n GLU 68 N 0.00 -0.08 0.01 3.49 2.13 -1.26 -4.43 120.64 120.50 1tvi n GLU 68 Ca 0.00 1.13 0.00 0.00 0.66 0.00 0.00 57.16 58.95 1tvi n GLU 68 Cb 0.00 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.03 1tvi n GLU 68 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1tvi n ASP 69 N -5.16 -0.04 0.00 4.31 9.92 -1.26 -3.98 116.55 120.33 1tvi n ASP 69 Ca 0.11 0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1tvi n ASP 69 Cb 0.35 0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 1tvi n ASP 69 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1tvi n VAL 70 N -2.59 0.00 -2.27 2.53 3.14 -1.26 -4.87 118.33 113.00 1tvi n VAL 70 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1tvi n VAL 70 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 0.00 -1.78 0.00 1.45 0.18 -1.26 -4.70 117.16 111.05 1tvi n TYR 71 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1tvi n TYR 71 Cb 0.00 -0.90 0.00 0.00 -0.38 0.00 0.00 39.34 38.06 1tvi n TYR 71 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1tvi n GLY 72 N -0.44 1.48 3.21 -7.48 0.00 -1.24 -4.76 105.19 95.96 1tvi n GLY 72 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 2.13 0.86 -0.09 1.61 -1.05 -1.25 -1.58 118.70 119.33 1tvi s GLU 73 Ca 0.00 -1.01 -0.05 0.00 -0.15 0.00 0.00 54.97 53.76 1tvi s GLU 73 Cb 0.00 0.33 0.04 0.00 -0.44 0.00 0.00 34.13 34.06 1tvi s GLU 73 CO 0.00 -0.27 0.21 0.96 0.95 0.00 0.00 175.26 177.11 1tvi s ILE 74 N -3.88 -0.03 -0.26 1.83 -4.36 -0.97 -3.62 121.20 109.90 1tvi s ILE 74 Ca 0.07 0.13 -0.26 0.00 -0.26 0.00 0.00 60.65 60.32 1tvi s ILE 74 Cb 0.05 -0.33 0.00 0.00 1.25 0.00 0.00 42.46 43.44 1tvi s ILE 74 CO -0.10 0.05 0.92 -0.31 0.24 0.00 0.00 174.94 175.74 1tvi s TYR 75 N 1.00 3.28 0.04 1.37 2.02 0.14 0.28 117.35 125.49 1tvi s TYR 75 Ca -0.07 1.19 0.05 0.00 -0.37 0.00 0.00 57.07 57.87 1tvi s TYR 75 Cb -0.09 -3.23 -0.04 0.00 -0.40 0.00 0.00 41.96 38.20 1tvi s TYR 75 CO -0.06 -0.50 -0.10 0.08 -1.57 0.00 0.00 175.55 173.39 1tvi s VAL 76 N 3.08 3.35 -0.32 0.71 1.01 0.30 0.92 120.40 129.46 1tvi s VAL 76 Ca 0.39 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 1tvi s VAL 76 Cb -0.15 -2.48 0.14 0.00 0.00 0.00 0.00 36.38 33.89 1tvi s VAL 76 CO 0.09 0.29 0.28 0.00 0.00 0.00 0.00 175.10 175.76 1tvi n PRO 78 N 4.88 0.75 0.01 0.00 -0.04 -1.26 -3.25 135.00 136.08 1tvi n PRO 78 Ca 0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.36 1tvi n PRO 78 Cb 0.44 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 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 -0.03 -0.18 1.53 7.12 -1.91 -1.25 115.31 120.60 1tvi h LEU 79 Ca 0.00 -0.36 -0.22 0.00 0.13 0.00 0.00 57.88 57.42 1tvi h LEU 79 Cb 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.14 1tvi h LEU 79 CO 0.00 0.35 -0.94 0.40 -0.13 0.00 0.00 178.44 178.12 1tvi h ILE 80 N -0.41 1.42 -0.11 4.05 5.03 -1.82 -3.17 117.51 122.50 1tvi h ILE 80 Ca -0.00 -2.49 0.04 0.00 -0.12 0.00 0.00 64.86 62.29 1tvi h ILE 80 Cb 0.39 2.44 -0.05 0.00 -3.03 0.00 0.00 36.82 36.57 1tvi h ILE 80 CO 0.01 0.74 -0.19 0.58 -0.68 0.00 0.00 178.15 178.61 1tvi h VAL 81 N 0.21 0.52 -0.45 1.67 2.07 -1.55 0.89 116.25 119.62 1tvi h VAL 81 Ca -0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1tvi h VAL 81 Cb 1.58 0.52 -0.08 0.00 -1.52 0.00 0.00 31.29 31.79 1tvi h VAL 81 CO 0.16 0.00 -0.07 -0.08 0.02 0.00 0.00 177.57 177.60 1tvi h GLU 82 N -0.25 0.04 -0.69 1.57 4.22 -1.26 1.38 114.58 119.58 1tvi h GLU 82 Ca 0.09 -0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.58 1tvi h GLU 82 Cb 0.38 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1tvi h GLU 82 CO -0.25 0.03 0.45 1.49 -2.18 0.00 0.00 179.01 178.55 1tvi h GLU 83 N 0.04 0.72 0.01 1.92 4.57 -1.31 1.57 114.58 122.11 1tvi h GLU 83 Ca 0.22 -0.04 -0.20 0.00 -1.18 0.00 0.00 59.36 58.16 1tvi h GLU 83 Cb 0.34 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1tvi h GLU 83 CO -0.43 0.47 -0.93 -0.91 -1.18 0.00 0.00 179.01 176.04 1tvi h ASN 84 N 0.74 0.07 0.34 1.04 -0.26 0.17 0.11 115.58 117.79 1tvi h ASN 84 Ca 0.29 -0.07 -0.24 0.00 -0.56 0.00 0.00 56.30 55.72 1tvi h ASN 84 Cb 0.21 -0.02 0.01 0.00 -1.06 0.00 0.00 38.32 37.45 1tvi h ASN 84 CO -0.09 0.96 -1.03 0.00 -1.06 0.00 0.00 177.43 176.21 1tvi h ALA 85 N 1.04 0.27 0.00 -0.83 0.00 0.37 -3.18 119.26 116.92 1tvi h ALA 85 Ca -0.02 -0.74 -0.13 0.00 0.00 0.00 0.00 54.91 54.02 1tvi h ALA 85 Cb 1.62 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1tvi h ALA 85 CO 0.13 0.82 -0.61 0.00 0.00 0.00 0.00 179.25 179.59 1tvi h ARG 86 N 0.22 0.00 -0.36 0.00 3.08 0.22 0.56 114.38 118.10 1tvi h ARG 86 Ca -0.10 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.05 1tvi h ARG 86 Cb 1.68 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.72 1tvi h ARG 86 CO 0.18 0.61 0.45 1.05 -1.07 0.00 0.00 179.97 181.19 1tvi h GLU 87 N 0.00 0.00 0.00 0.04 -0.00 -0.94 -3.38 114.58 110.30 1tvi h GLU 87 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1tvi h GLU 87 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.13 1tvi h GLU 87 CO 0.08 0.00 0.00 1.19 -0.00 0.00 0.00 179.01 180.28 1tvi n PHE 88 N -3.58 0.00 0.00 2.06 3.01 -1.19 -5.07 117.46 112.69 1tvi n PHE 88 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1tvi n PHE 88 Cb 0.61 0.18 0.00 0.00 -0.01 0.00 0.00 39.48 40.26 1tvi n PHE 88 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1tvi n ASN 89 N -1.72 0.00 -4.76 4.37 4.05 -0.07 -5.10 115.26 112.03 1tvi n ASN 89 Ca 0.00 0.00 -0.39 0.00 0.45 0.00 0.00 54.58 54.64 1tvi n ASN 89 Cb 0.00 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 40.95 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 0.00 6.96 -0.72 1.20 2.47 0.18 -4.99 114.94 120.03 1tvi s ASN 90 Ca 0.00 1.14 -0.26 0.00 0.42 0.00 0.00 52.86 54.16 1tvi s ASN 90 Cb 0.00 -2.36 -0.00 0.00 -1.45 0.00 0.00 41.25 37.44 1tvi s ASN 90 CO 0.00 0.10 1.66 0.42 -3.72 0.00 0.00 177.10 175.56 1tvi s THR 91 N -0.16 3.52 0.57 -5.21 -4.23 -1.26 -4.46 115.64 104.41 1tvi s THR 91 Ca 0.31 0.12 0.46 0.00 -1.18 0.00 0.00 61.69 61.40 1tvi s THR 91 Cb -0.18 -4.34 0.68 0.00 1.34 0.00 0.00 72.50 70.00 1tvi s THR 91 CO 0.17 -1.29 1.55 0.15 -0.54 0.00 0.00 174.62 174.66 1tvi h PHE 92 N 12.57 0.00 0.30 3.99 3.04 -1.91 0.75 116.94 135.68 1tvi h PHE 92 Ca -0.18 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.76 1tvi h PHE 92 Cb 1.10 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.60 1tvi h PHE 92 CO 1.11 0.00 -0.18 1.05 -2.02 0.00 0.00 178.31 178.27 1tvi h GLU 93 N 0.00 -0.44 0.19 1.11 4.11 -1.98 0.36 114.58 117.93 1tvi h GLU 93 Ca 0.85 0.03 -0.01 0.00 0.07 0.00 0.00 59.36 60.30 1tvi h GLU 93 Cb 3.56 0.10 0.00 0.00 0.50 0.00 0.00 28.75 32.92 1tvi h GLU 93 CO -0.01 -0.29 -0.09 -0.22 0.07 0.00 0.00 179.01 178.47 1tvi h LYS 94 N -0.46 -0.24 -0.71 1.06 3.64 0.10 0.50 116.57 120.46 1tvi h LYS 94 Ca -0.03 0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.57 1tvi h LYS 94 Cb 0.37 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1tvi h LYS 94 CO 0.04 -0.02 0.51 1.49 -2.27 0.00 0.00 179.45 179.20 1tvi h GLU 95 N -0.43 0.04 0.21 1.90 4.22 -1.28 0.15 114.58 119.38 1tvi h GLU 95 Ca -0.03 -0.00 -0.30 0.00 0.08 0.00 0.00 59.36 59.11 1tvi h GLU 95 Cb 0.33 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.60 1tvi h GLU 95 CO 0.04 0.02 -1.37 1.25 -2.18 0.00 0.00 179.01 176.77 1tvi h LEU 96 N 0.04 0.68 -2.01 1.64 6.46 0.33 -3.24 115.31 119.21 1tvi h LEU 96 Ca 0.34 -0.93 0.16 0.00 -0.12 0.00 0.00 57.88 57.34 1tvi h LEU 96 Cb 1.31 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 41.00 1tvi h LEU 96 CO -0.02 1.65 0.43 -0.07 -0.62 0.00 0.00 178.44 179.81 1tvi h LEU 97 N -0.02 0.00 0.21 2.25 4.07 0.28 -0.07 115.31 122.02 1tvi h LEU 97 Ca -0.25 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.70 1tvi h LEU 97 Cb 2.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.74 1tvi h LEU 97 CO 0.21 0.00 -0.10 -0.33 -1.08 0.00 0.00 178.44 177.14 1tvi h GLU 98 N 0.00 -0.27 0.00 1.13 5.08 -1.23 0.41 114.58 119.70 1tvi h GLU 98 Ca 0.27 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1tvi h GLU 98 Cb 1.13 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1tvi h GLU 98 CO -0.00 -0.03 -0.05 -0.39 -1.00 0.00 0.00 179.01 177.54 1tvi h VAL 99 N -0.48 0.54 0.15 3.13 -1.51 -1.15 1.73 116.25 118.67 1tvi h VAL 99 Ca -0.03 -0.23 -0.01 0.00 -1.23 0.00 0.00 66.70 65.21 1tvi h VAL 99 Cb 0.36 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 1tvi h VAL 99 CO 0.05 0.05 -0.07 0.58 -1.23 0.00 0.00 177.57 176.94 1tvi h VAL 100 N 0.00 0.43 0.00 7.19 2.07 -0.66 -3.25 116.25 122.03 1tvi h VAL 100 Ca -0.00 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1tvi h VAL 100 Cb 0.14 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1tvi h VAL 100 CO 0.01 0.13 0.00 0.16 0.02 0.00 0.00 177.57 177.88 1tvi h ILE 101 N -1.00 0.00 -0.81 4.57 3.07 0.14 -2.83 117.51 120.65 1tvi h ILE 101 Ca -0.02 -0.35 0.23 0.00 1.55 0.00 0.00 64.86 66.27 1tvi h ILE 101 Cb 0.37 1.19 -0.03 0.00 -0.27 0.00 0.00 36.82 38.07 1tvi h ILE 101 CO 0.03 0.00 0.58 -0.74 -1.05 0.00 0.00 178.15 176.98 1tvi h HIS 102 N 0.00 0.02 0.00 0.16 2.76 0.26 1.93 115.15 120.28 1tvi h HIS 102 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1tvi h HIS 102 Cb 0.44 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.40 1tvi h HIS 102 CO 0.00 0.01 -0.03 0.78 -1.30 0.00 0.00 177.93 177.39 1tvi h GLY 103 N 0.01 0.01 0.68 5.26 0.00 -1.64 -2.99 103.07 104.40 1tvi h GLY 103 Ca 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 1tvi h GLY 103 CO -0.01 0.03 -0.09 -2.22 0.00 0.00 0.00 176.54 174.25 1tvi h ILE 104 N -0.96 0.93 -1.07 2.60 2.04 -1.27 -2.60 117.51 117.18 1tvi h ILE 104 Ca -0.00 -0.65 0.29 0.00 1.00 0.00 0.00 64.86 65.50 1tvi h ILE 104 Cb 1.00 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 1tvi h ILE 104 CO 0.01 0.15 0.73 0.17 0.00 0.00 0.00 178.15 179.21 1tvi h LEU 105 N -0.57 0.18 0.71 1.44 8.10 0.28 1.41 115.31 126.86 1tvi h LEU 105 Ca -0.02 0.03 -0.03 0.00 0.11 0.00 0.00 57.88 57.97 1tvi h LEU 105 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.65 1tvi h LEU 105 CO 0.04 0.04 -0.37 -0.74 -4.11 0.00 0.00 178.44 173.30 1tvi h HIS 106 N 0.16 -0.96 0.00 0.17 2.76 -1.31 -2.02 115.15 113.96 1tvi h HIS 106 Ca 0.55 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.70 1tvi h HIS 106 Cb 1.83 0.33 0.00 0.00 1.55 0.00 0.00 27.41 31.12 1tvi h HIS 106 CO -0.00 -0.58 0.00 -0.11 -1.30 0.00 0.00 177.93 175.94 1tvi n LEU 107 N -5.52 0.23 0.28 0.26 0.00 0.28 -2.68 117.00 109.85 1tvi n LEU 107 Ca -0.14 0.53 0.16 0.00 0.00 0.00 0.00 56.01 56.56 1tvi n LEU 107 Cb 0.41 -0.47 0.80 0.00 0.00 0.00 0.00 43.42 44.16 1tvi n LEU 107 CO 0.37 -0.14 1.01 0.00 0.00 0.00 0.00 177.39 178.64 1tvi h ALA 108 N 2.73 1.13 0.00 1.96 0.00 0.25 -3.47 119.26 121.86 1tvi h ALA 108 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tvi h ALA 108 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1tvi h ALA 108 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1tvi n GLY 109 N -0.51 0.89 1.66 0.00 0.00 -1.09 -5.03 105.19 101.11 1tvi n GLY 109 Ca -0.01 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1tvi n GLY 109 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1tvi n TYR 110 N -0.93 -4.60 0.00 1.61 0.18 -1.26 -4.60 117.16 107.56 1tvi n TYR 110 Ca 0.00 2.45 0.00 0.00 1.88 0.00 0.00 57.90 62.23 1tvi n TYR 110 Cb 0.00 -3.64 0.00 0.00 -0.38 0.00 0.00 39.34 35.32 1tvi n TYR 110 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1tvi n ASP 111 N -0.86 0.03 -4.36 9.48 8.00 -1.26 -4.72 116.55 122.87 1tvi n ASP 111 Ca 0.00 0.01 -0.33 0.00 0.71 0.00 0.00 54.79 55.18 1tvi n ASP 111 Cb 0.00 -0.01 0.14 0.00 -0.02 0.00 0.00 41.12 41.23 1tvi n ASP 111 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1tvi n HIS 112 N -2.98 -1.53 -2.96 1.24 8.25 -1.26 -4.78 115.22 111.20 1tvi n HIS 112 Ca 0.00 0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 57.23 1tvi n HIS 112 Cb 0.45 -1.70 -0.05 0.00 1.12 0.00 0.00 29.99 29.80 1tvi n HIS 112 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1tvi s GLU 113 N -3.53 3.67 -0.64 -0.41 2.12 -1.26 -4.96 118.70 113.70 1tvi s GLU 113 Ca 0.56 0.20 0.06 0.00 0.36 0.00 0.00 54.97 56.15 1tvi s GLU 113 Cb -0.18 -3.84 0.27 0.00 0.26 0.00 0.00 34.13 30.64 1tvi s GLU 113 CO 0.67 -0.91 0.80 1.19 -0.54 0.00 0.00 175.26 176.48 1tvi n PHE 114 N 6.48 3.72 0.04 5.30 3.72 -1.26 -4.73 117.46 130.73 1tvi n PHE 114 Ca 0.03 -4.10 0.00 0.00 -0.05 0.00 0.00 57.45 53.33 1tvi n PHE 114 Cb 0.48 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 1tvi n PHE 114 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1tvi n GLU 115 N 0.63 0.00 -0.09 -1.08 2.13 -1.26 -4.28 120.64 116.70 1tvi n GLU 115 Ca 0.30 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 58.10 1tvi n GLU 115 Cb 0.40 -0.10 -0.02 0.00 0.27 0.00 0.00 31.44 31.99 1tvi n GLU 115 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1tvi h ASP 116 N 0.00 -0.49 0.00 4.31 1.82 -2.04 -3.27 116.42 116.76 1tvi h ASP 116 Ca 0.00 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1tvi h ASP 116 Cb 0.15 0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.37 1tvi h ASP 116 CO 0.00 -0.06 0.00 1.17 -1.61 0.00 0.00 179.24 178.74 1tvi n LYS 117 N -3.50 0.00 -3.73 0.28 3.00 -1.26 -5.05 118.16 107.90 1tvi n LYS 117 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.31 1tvi n LYS 117 Cb 0.06 -0.68 -0.00 0.00 0.00 0.00 0.00 35.03 34.41 1tvi n LYS 117 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1tvi s ASN 118 N -1.69 -0.08 -0.43 3.14 3.84 -1.23 -5.13 114.94 113.35 1tvi s ASN 118 Ca 0.00 -0.31 0.08 0.00 0.21 0.00 0.00 52.86 52.84 1tvi s ASN 118 Cb 0.00 0.32 0.18 0.00 -0.55 0.00 0.00 41.25 41.20 1tvi s ASN 118 CO 0.00 -0.60 0.65 -0.94 -2.79 0.00 0.00 177.10 173.41 1tvi s SER 119 N -3.09 -1.52 0.04 -4.21 1.04 -1.26 -4.41 113.70 100.28 1tvi s SER 119 Ca 0.16 -0.91 -0.17 0.00 0.48 0.00 0.00 55.95 55.50 1tvi s SER 119 Cb 0.01 1.95 -0.23 0.00 0.10 0.00 0.00 66.02 67.86 1tvi s SER 119 CO -0.00 -0.15 1.15 0.11 0.98 0.00 0.00 173.24 175.32 1tvi h LYS 120 N 6.71 0.55 -0.68 4.02 1.79 -2.00 -2.88 116.57 124.08 1tvi h LYS 120 Ca 0.05 -0.58 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1tvi h LYS 120 Cb 1.17 0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.95 1tvi h LYS 120 CO 0.09 1.20 0.43 0.93 -1.08 0.00 0.00 179.45 181.01 1tvi h GLU 121 N 0.13 0.91 -0.87 3.15 5.08 -2.01 -2.33 114.58 118.65 1tvi h GLU 121 Ca -0.09 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1tvi h GLU 121 Cb 1.46 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 1tvi h GLU 121 CO 0.15 0.63 0.57 1.98 -1.00 0.00 0.00 179.01 181.35 1tvi h MET 122 N 0.93 1.12 -0.97 2.33 4.05 -1.96 -1.87 114.93 118.55 1tvi h MET 122 Ca 0.25 -0.07 0.18 0.00 -0.28 0.00 0.00 59.70 59.78 1tvi h MET 122 Cb -0.06 -0.25 -0.09 0.00 -0.80 0.00 0.00 31.60 30.40 1tvi h MET 122 CO -0.05 0.74 0.61 0.35 0.23 0.00 0.00 176.91 178.79 1tvi h PHE 123 N 1.15 0.93 0.32 1.39 3.04 -1.19 0.55 116.94 123.14 1tvi h PHE 123 Ca 0.33 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.29 1tvi h PHE 123 Cb -0.09 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.14 1tvi h PHE 123 CO -0.01 0.25 -0.15 0.93 -2.02 0.00 0.00 178.31 177.30 1tvi h GLU 124 N 0.70 -0.41 0.00 1.11 5.08 -1.24 0.45 114.58 120.27 1tvi h GLU 124 Ca 0.53 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.91 1tvi h GLU 124 Cb 0.90 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1tvi h GLU 124 CO -0.30 -0.11 -0.03 0.87 -1.00 0.00 0.00 179.01 178.44 1tvi h LYS 125 N -0.72 0.00 0.12 2.33 6.56 -1.06 0.34 116.57 124.14 1tvi h LYS 125 Ca -0.04 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.27 1tvi h LYS 125 Cb 0.49 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1tvi h LYS 125 CO 0.07 0.03 -1.31 0.37 -2.06 0.00 0.00 179.45 176.55 1tvi h GLN 126 N 0.00 0.25 0.00 3.15 4.15 0.43 -3.14 115.11 119.95 1tvi h GLN 126 Ca -0.00 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 59.00 1tvi h GLN 126 Cb 0.08 0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1tvi h GLN 126 CO 0.00 1.17 0.00 0.87 -1.93 0.00 0.00 178.83 178.94 1tvi h LYS 127 N 0.07 0.00 0.17 1.69 1.79 0.15 -1.43 116.57 119.02 1tvi h LYS 127 Ca -0.16 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.30 1tvi h LYS 127 Cb 1.97 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.63 1tvi h LYS 127 CO 0.19 0.00 -0.08 -0.22 -1.08 0.00 0.00 179.45 178.25 1tvi h LYS 128 N 0.00 -0.22 -0.14 3.15 3.64 -0.41 -1.95 116.57 120.64 1tvi h LYS 128 Ca 0.00 0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.20 1tvi h LYS 128 Cb 0.91 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1tvi h LYS 128 CO 0.00 0.18 -0.70 1.88 -2.27 0.00 0.00 179.45 178.54 1tvi h TYR 129 N -0.73 0.80 0.18 1.91 0.05 -1.60 -2.44 116.97 115.15 1tvi h TYR 129 Ca -0.02 -0.34 0.01 0.00 0.05 0.00 0.00 58.73 58.43 1tvi h TYR 129 Cb 0.51 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 1tvi h TYR 129 CO 0.07 1.12 -0.30 0.28 -1.05 0.00 0.00 178.16 178.28 1tvi h VAL 130 N 0.43 0.36 -0.09 -2.88 2.07 -1.32 1.74 116.25 116.55 1tvi h VAL 130 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1tvi h VAL 130 Cb 1.29 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1tvi h VAL 130 CO 0.13 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.40 1tvi h GLU 131 N -0.56 0.13 0.14 1.57 5.08 -1.39 1.75 114.58 121.30 1tvi h GLU 131 Ca 0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1tvi h GLU 131 Cb 0.56 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1tvi h GLU 131 CO -0.14 0.14 -0.07 0.93 -1.00 0.00 0.00 179.01 178.87 1tvi h GLU 132 N 0.13 -0.18 0.00 2.33 3.07 -0.64 -0.97 114.58 118.32 1tvi h GLU 132 Ca 0.03 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.84 1tvi h GLU 132 Cb 0.09 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1tvi h GLU 132 CO 0.00 0.26 -0.32 0.28 -1.40 0.00 0.00 179.01 177.83 1tvi h VAL 133 N -0.87 0.94 0.00 3.13 2.07 0.28 -0.74 116.25 121.06 1tvi h VAL 133 Ca -0.02 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1tvi h VAL 133 Cb 0.53 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1tvi h VAL 133 CO 0.03 0.31 0.00 1.87 0.02 0.00 0.00 177.57 179.80 1tvi n TRP 134 N -3.75 0.76 -0.01 1.57 -0.00 0.59 -3.33 117.44 113.27 1tvi n TRP 134 Ca -0.01 0.23 0.23 0.00 -0.00 0.00 0.00 57.50 57.95 1tvi n TRP 134 Cb 0.41 -0.87 0.71 0.00 -0.00 0.00 0.00 31.31 31.56 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 4.41 0.00 0.00 5.87 0.00 0.31 1.89 103.07 115.55 1tvi h GLY 135 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1tvi h GLY 135 CO 0.00 0.00 -0.47 -2.09 0.00 0.00 0.00 176.54 173.98 1tvi h GLU 136 N 0.00 0.00 -0.02 4.80 4.81 -1.73 -3.34 114.58 119.10 1tvi h GLU 136 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1tvi h GLU 136 Cb 1.46 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.84 1tvi h GLU 136 CO -0.00 0.15 0.07 -1.49 -0.73 0.00 0.00 179.01 177.01 1tvi h TRP 137 N -1.00 0.00 -0.34 0.92 4.06 -1.55 0.10 115.95 118.14 1tvi h TRP 137 Ca -0.04 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.01 1tvi h TRP 137 Cb 0.51 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.66 1tvi h TRP 137 CO -0.12 0.00 0.25 0.00 -3.56 0.00 0.00 178.44 175.02 1tvi h ARG 138 N 0.00 0.00 0.00 0.49 2.47 0.28 0.88 114.38 118.50 1tvi h ARG 138 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1tvi h ARG 138 Cb 0.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 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 -4.33 0.00 -3.15 7.04 7.64 0.35 -3.61 113.62 117.56 1tvi n SER 139 Ca 0.05 -0.22 -0.19 0.00 1.01 0.00 0.00 58.87 59.52 1tvi n SER 139 Cb 0.43 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.23 0.28 -3.00 6.43 0.23 0.30 -5.12 115.26 113.16 1tvi n ASN 140 Ca 0.13 -2.95 0.00 0.00 -0.53 0.00 0.00 54.58 51.23 1tvi n ASN 140 Cb 0.17 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.48 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 0.73 0.63 -3.37 -0.53 -0.04 -1.15 -4.67 135.00 126.60 1tvi n PRO 141 Ca 0.22 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.31 1tvi n PRO 141 Cb 0.62 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.11 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 -0.74 -5.10 -4.51 3.54 2.88 -1.26 -4.73 113.62 103.70 1tvi n SER 142 Ca 0.00 -0.18 -0.43 0.00 -1.33 0.00 0.00 58.87 56.93 1tvi n SER 142 Cb 0.00 -1.49 -0.00 0.00 -0.75 0.00 0.00 64.21 61.97 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 -0.22 0.82 -3.08 -1.46 -0.58 -1.26 -3.57 120.64 111.29 1tvi n GLU 143 Ca -0.09 0.29 -0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1tvi n GLU 143 Cb 0.65 -1.60 -0.00 0.00 -0.57 0.00 0.00 31.44 29.92 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 1.28 -6.89 -4.40 1.62 -0.08 -1.26 -5.01 116.55 101.81 1tvi n ASP 144 Ca 0.12 0.64 -0.20 0.00 -1.51 0.00 0.00 54.79 53.84 1tvi n ASP 144 Cb 0.35 -2.42 -0.10 0.00 2.34 0.00 0.00 41.12 41.28 1tvi n ASP 144 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1tvi s SER 145 N -1.14 2.08 -0.07 1.67 1.04 -1.23 -5.02 113.70 111.02 1tvi s SER 145 Ca -0.00 -1.32 -0.05 0.00 0.48 0.00 0.00 55.95 55.06 1tvi s SER 145 Cb 0.00 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.11 1tvi s SER 145 CO 0.18 -0.58 0.10 -0.67 0.98 0.00 0.00 173.24 173.25 1tvi n ASP 146 N -0.57 -3.99 -0.02 7.02 2.03 -1.26 -4.96 116.55 114.79 1tvi n ASP 146 Ca -0.03 1.21 -0.12 0.00 0.52 0.00 0.00 54.79 56.38 1tvi n ASP 146 Cb 0.66 -4.24 -0.10 0.00 -0.72 0.00 0.00 41.12 36.71 1tvi n ASP 146 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1tvi h PRO 147 N 3.18 -0.06 -0.40 -0.67 0.13 -1.95 -3.45 132.00 128.79 1tvi h PRO 147 Ca -0.24 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.84 1tvi h PRO 147 Cb 0.53 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 31.52 1tvi h PRO 147 CO 0.00 0.57 -0.25 0.41 -0.23 0.00 0.00 178.00 178.51 1tvi n GLY 148 N 0.94 -1.26 1.48 1.56 0.00 -1.26 -5.15 105.19 101.50 1tvi n GLY 148 Ca -0.08 0.94 0.07 0.00 0.00 0.00 0.00 46.02 46.95 1tvi n GLY 148 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1tvi n LYS 149 N 2.52 -1.02 -0.54 1.61 4.81 -1.26 -5.34 118.16 118.94 1tvi n LYS 149 Ca 0.12 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 1tvi n LYS 149 Cb 0.63 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 34.43 1tvi n LYS 149 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11