#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 0.33 -0.35 1.12 1.09 -1.26 -4.74 121.20 117.39 1tvi s ILE 2 Ca 0.00 -1.66 -0.16 0.00 -1.10 0.00 0.00 60.65 57.73 1tvi s ILE 2 Cb 0.00 -1.31 -0.01 0.00 -1.06 0.00 0.00 42.46 40.08 1tvi s ILE 2 CO 0.00 -0.86 0.39 -0.13 -0.10 0.00 0.00 174.94 174.24 1tvi s ARG 3 N -3.39 3.51 -0.44 2.79 0.52 -0.64 -5.01 118.95 116.30 1tvi s ARG 3 Ca 0.04 -0.43 -0.13 0.00 -0.52 0.00 0.00 55.73 54.68 1tvi s ARG 3 Cb 0.04 -3.82 0.06 0.00 0.52 0.00 0.00 34.95 31.74 1tvi s ARG 3 CO -0.07 -0.58 0.33 0.42 0.02 0.00 0.00 175.30 175.42 1tvi s ILE 4 N 2.08 4.93 0.29 1.52 1.01 -1.26 -1.36 121.20 128.40 1tvi s ILE 4 Ca 0.13 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.76 1tvi s ILE 4 Cb -0.16 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.33 1tvi s ILE 4 CO 0.12 -0.49 -0.02 -1.48 0.00 0.00 0.00 174.94 173.07 1tvi s LEU 5 N 1.59 2.39 0.00 2.97 2.34 0.20 -4.97 118.68 123.19 1tvi s LEU 5 Ca 0.04 -1.25 0.00 0.00 0.06 0.00 0.00 54.13 52.98 1tvi s LEU 5 Cb -0.23 -0.54 0.00 0.00 -0.56 0.00 0.00 46.19 44.87 1tvi s LEU 5 CO 0.06 -0.44 0.00 0.61 -1.06 0.00 0.00 176.35 175.52 1tvi n GLY 6 N -0.61 -1.86 2.94 -3.48 0.00 -1.26 -1.40 105.19 99.53 1tvi n GLY 6 Ca -0.05 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 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 0.10 0.00 1.61 2.02 0.16 -4.64 118.70 117.95 1tvi s GLU 7 Ca 0.00 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.31 1tvi s GLU 7 Cb 0.00 -0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.12 1tvi s GLU 7 CO 0.00 -0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1tvi n GLY 8 N 3.89 4.79 3.36 -1.39 0.00 -1.26 -3.34 105.19 111.24 1tvi n GLY 8 Ca -0.23 -0.88 -0.61 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.84 0.00 0.00 1.61 4.81 -1.26 -3.45 118.16 118.03 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 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 33.63 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 5.15 1.85 0.26 3.14 0.00 -1.26 -4.66 105.19 109.67 1tvi n GLY 10 Ca 0.39 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 0.13 -0.58 -0.16 1.61 0.87 -1.95 0.79 113.55 114.26 1tvi h SER 11 Ca 0.00 0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.47 1tvi h SER 11 Cb 0.00 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1tvi h SER 11 CO 0.00 -0.34 -0.44 0.07 -0.53 0.00 0.00 176.83 175.59 1tvi h LYS 12 N -0.50 0.58 -0.99 2.24 2.10 -1.94 -2.57 116.57 115.49 1tvi h LYS 12 Ca -0.01 -0.41 0.27 0.00 -2.00 0.00 0.00 60.65 58.49 1tvi h LYS 12 Cb 0.45 0.07 -0.06 0.00 -0.90 0.00 0.00 32.23 31.79 1tvi h LYS 12 CO -0.02 1.03 0.68 1.25 -2.00 0.00 0.00 179.45 180.39 1tvi h LEU 13 N 0.23 0.18 -0.00 7.07 5.85 -1.90 0.36 115.31 127.10 1tvi h LEU 13 Ca -0.01 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 1tvi h LEU 13 Cb 1.06 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.10 1tvi h LEU 13 CO 0.10 0.05 -0.50 0.25 -0.34 0.00 0.00 178.44 178.00 1tvi h LEU 14 N 0.17 0.44 -1.74 2.25 7.12 -0.64 -3.07 115.31 119.83 1tvi h LEU 14 Ca 0.50 -0.77 0.00 0.00 0.13 0.00 0.00 57.88 57.75 1tvi h LEU 14 Cb 1.67 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 41.67 1tvi h LEU 14 CO -0.10 1.15 0.42 -0.33 -0.13 0.00 0.00 178.44 179.45 1tvi h GLU 15 N -0.22 0.00 -0.02 1.25 5.08 0.10 1.96 114.58 122.72 1tvi h GLU 15 Ca -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1tvi h GLU 15 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1tvi h GLU 15 CO 0.10 0.00 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.11 1tvi h ASN 16 N 0.00 0.11 -1.14 1.42 2.35 -1.26 -3.35 115.58 113.71 1tvi h ASN 16 Ca 0.01 -0.64 -0.49 0.00 -0.55 0.00 0.00 56.30 54.62 1tvi h ASN 16 Cb 0.85 -0.03 -0.42 0.00 0.05 0.00 0.00 38.32 38.77 1tvi h ASN 16 CO -0.00 0.73 -0.90 0.00 -1.65 0.00 0.00 177.43 175.61 1tvi n LEU 17 N -4.68 3.65 0.07 1.61 -0.00 0.11 -4.84 117.00 112.91 1tvi n LEU 17 Ca -0.09 -4.55 -0.07 0.00 -0.00 0.00 0.00 56.01 51.31 1tvi n LEU 17 Cb 0.37 -0.13 -0.04 0.00 -0.00 0.00 0.00 43.42 43.62 1tvi n LEU 17 CO 0.36 1.93 0.20 0.11 -0.00 0.00 0.00 177.39 179.99 1tvi h LYS 18 N 2.61 -0.26 -0.77 1.47 1.79 0.27 -3.21 116.57 118.47 1tvi h LYS 18 Ca 0.17 0.02 0.22 0.00 -2.18 0.00 0.00 60.65 58.89 1tvi h LYS 18 Cb 1.13 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.81 1tvi h LYS 18 CO 0.68 -0.03 0.67 0.93 -1.08 0.00 0.00 179.45 180.63 1tvi h GLU 19 N -1.03 0.00 -0.74 3.15 5.08 -1.87 0.42 114.58 119.59 1tvi h GLU 19 Ca -0.03 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1tvi h GLU 19 Cb 0.35 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 1tvi h GLU 19 CO 0.04 0.00 0.38 -0.22 -1.00 0.00 0.00 179.01 178.22 1tvi h LYS 20 N 0.00 0.62 0.00 2.33 3.11 -1.92 0.67 116.57 121.39 1tvi h LYS 20 Ca 0.37 -0.04 -0.18 0.00 -2.81 0.00 0.00 60.65 57.99 1tvi h LYS 20 Cb 1.71 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 32.78 1tvi h LYS 20 CO -0.00 0.41 -0.85 -0.07 -2.81 0.00 0.00 179.45 176.13 1tvi h LEU 21 N 0.64 0.00 -1.91 5.20 3.38 -0.29 -3.07 115.31 119.26 1tvi h LEU 21 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1tvi h LEU 21 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1tvi h LEU 21 CO -0.27 0.85 0.00 -0.33 0.09 0.00 0.00 178.44 178.78 1tvi h GLU 22 N 0.00 0.00 0.00 1.13 5.08 -0.18 -2.42 114.58 118.19 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 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1tvi h GLU 22 CO 0.11 0.00 -0.00 0.93 -1.00 0.00 0.00 179.01 179.05 1tvi h GLU 23 N 0.00 -0.00 -0.48 2.33 5.08 -1.03 -2.57 114.58 117.90 1tvi h GLU 23 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1tvi h GLU 23 Cb 0.17 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.33 1tvi h GLU 23 CO 0.00 0.63 -0.08 -0.84 -1.00 0.00 0.00 179.01 177.72 1tvi h ILE 24 N -1.00 0.56 0.07 3.13 3.07 -1.55 1.04 117.51 122.82 1tvi h ILE 24 Ca -0.00 -0.01 0.01 0.00 1.55 0.00 0.00 64.86 66.41 1tvi h ILE 24 Cb 0.64 0.51 -0.02 0.00 -0.27 0.00 0.00 36.82 37.68 1tvi h ILE 24 CO 0.00 0.01 -0.15 -0.37 -1.05 0.00 0.00 178.15 176.59 1tvi h VAL 25 N 0.04 0.65 0.03 0.16 -1.51 -1.57 0.39 116.25 114.44 1tvi h VAL 25 Ca 0.24 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.73 1tvi h VAL 25 Cb 0.36 0.65 -0.03 0.00 -2.13 0.00 0.00 31.29 30.13 1tvi h VAL 25 CO -0.46 0.00 -0.20 0.50 -1.23 0.00 0.00 177.57 176.18 1tvi h LYS 26 N -0.28 -0.33 0.04 5.19 3.64 -0.75 1.83 116.57 125.91 1tvi h LYS 26 Ca 0.03 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1tvi h LYS 26 Cb 0.31 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1tvi h LYS 26 CO -0.10 -0.22 -0.10 -0.22 -2.27 0.00 0.00 179.45 176.54 1tvi h LYS 27 N -0.34 -0.15 -0.73 1.90 3.64 0.14 -2.93 116.57 118.09 1tvi h LYS 27 Ca 0.05 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1tvi h LYS 27 Cb 0.40 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.16 1tvi h LYS 27 CO -0.16 -0.10 -0.49 1.49 -2.27 0.00 0.00 179.45 177.91 1tvi h GLU 28 N -0.16 -0.07 0.00 1.90 4.57 -0.12 -3.43 114.58 117.26 1tvi h GLU 28 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1tvi h GLU 28 Cb 0.15 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1tvi h GLU 28 CO -0.04 -0.05 0.00 1.51 -1.18 0.00 0.00 179.01 179.25 1tvi n ILE 29 N -4.90 0.00 0.00 2.32 3.06 0.65 -5.09 119.36 115.40 1tvi n ILE 29 Ca 0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 1tvi n ILE 29 Cb 0.23 -0.21 0.00 0.00 0.54 0.00 0.00 39.64 40.20 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 -0.25 2.28 2.64 4.50 0.00 0.59 -4.69 105.19 110.26 1tvi n GLY 30 Ca 0.00 -1.94 -0.05 0.00 0.00 0.00 0.00 46.02 44.03 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 0.00 -7.19 -3.79 1.61 2.03 -1.26 -4.91 116.55 103.04 1tvi n ASP 31 Ca 0.00 0.68 -0.24 0.00 0.52 0.00 0.00 54.79 55.75 1tvi n ASP 31 Cb 0.00 -4.81 -0.06 0.00 -0.72 0.00 0.00 41.12 35.53 1tvi n ASP 31 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1tvi n VAL 32 N -0.07 0.00 -3.42 5.18 3.14 -1.26 -5.13 118.33 116.77 1tvi n VAL 32 Ca 0.08 -2.12 -0.19 0.00 -2.96 0.00 0.00 64.34 59.15 1tvi n VAL 32 Cb 0.29 0.68 -0.10 0.00 -1.06 0.00 0.00 33.84 33.65 1tvi n VAL 32 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1tvi s HIS 33 N -2.85 -0.33 -0.23 1.45 3.76 -1.26 -4.92 115.29 110.91 1tvi s HIS 33 Ca 0.14 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 1tvi s HIS 33 Cb 0.01 -0.53 0.06 0.00 1.11 0.00 0.00 32.58 33.23 1tvi s HIS 33 CO 0.10 -0.91 -0.05 0.08 -0.85 0.00 0.00 174.74 173.11 1tvi s VAL 34 N 2.26 1.49 -0.32 -0.90 1.01 -1.26 -2.53 120.40 120.15 1tvi s VAL 34 Ca 0.10 -1.16 -0.13 0.00 0.00 0.00 0.00 61.98 60.78 1tvi s VAL 34 Cb -0.14 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1tvi s VAL 34 CO -0.32 -0.08 0.26 0.20 0.00 0.00 0.00 175.10 175.17 1tvi s ASN 35 N 1.42 6.09 -0.21 3.32 0.01 -0.60 -1.62 114.94 123.36 1tvi s ASN 35 Ca -0.05 -0.22 -0.08 0.00 -0.71 0.00 0.00 52.86 51.81 1tvi s ASN 35 Cb -0.19 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 1tvi s ASN 35 CO -0.06 -0.20 0.07 0.68 -1.51 0.00 0.00 177.10 176.07 1tvi s VAL 36 N 1.82 4.68 -0.38 1.60 -7.23 -0.47 0.14 120.40 120.57 1tvi s VAL 36 Ca 0.08 -0.06 -0.10 0.00 -1.81 0.00 0.00 61.98 60.09 1tvi s VAL 36 Cb -0.17 -3.14 0.04 0.00 0.56 0.00 0.00 36.38 33.67 1tvi s VAL 36 CO 0.11 0.41 0.21 -0.63 -0.31 0.00 0.00 175.10 174.89 1tvi s ILE 37 N 0.79 4.44 -0.11 -0.62 1.09 0.19 -0.63 121.20 126.35 1tvi s ILE 37 Ca 0.04 -0.98 -0.30 0.00 -1.10 0.00 0.00 60.65 58.31 1tvi s ILE 37 Cb -0.13 -3.52 -0.02 0.00 -1.06 0.00 0.00 42.46 37.73 1tvi s ILE 37 CO 0.02 -0.28 1.13 -0.76 -0.10 0.00 0.00 174.94 174.95 1tvi s LEU 38 N 1.52 4.23 -0.07 2.97 1.43 -0.49 -1.12 118.68 127.14 1tvi s LEU 38 Ca 0.02 1.65 -0.09 0.00 -1.03 0.00 0.00 54.13 54.67 1tvi s LEU 38 Cb -0.20 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.49 1tvi s LEU 38 CO 0.06 -0.58 0.24 0.68 0.23 0.00 0.00 176.35 176.98 1tvi s VAL 39 N 2.49 0.02 0.00 -1.59 -7.23 -0.52 0.38 120.40 113.95 1tvi s VAL 39 Ca 0.52 -0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.53 1tvi s VAL 39 Cb -0.21 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.33 1tvi s VAL 39 CO 0.17 -0.09 0.00 -1.54 -0.31 0.00 0.00 175.10 173.34 1tvi n SER 40 N 2.52 -0.23 -0.03 4.85 3.41 -1.26 -3.85 113.62 119.03 1tvi n SER 40 Ca -0.15 -0.47 -0.14 0.00 -0.26 0.00 0.00 58.87 57.85 1tvi n SER 40 Cb 0.58 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.06 0.00 4.33 4.81 -1.94 0.22 114.58 122.05 1tvi h GLU 41 Ca 0.00 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1tvi h GLU 41 Cb 0.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1tvi h GLU 41 CO 0.00 0.73 -0.49 0.22 -0.73 0.00 0.00 179.01 178.74 1tvi h ASP 42 N -0.60 0.00 0.56 1.04 1.82 -1.98 0.62 116.42 117.88 1tvi h ASP 42 Ca -0.00 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.41 1tvi h ASP 42 Cb 0.74 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.75 1tvi h ASP 42 CO 0.01 0.49 -1.01 -0.33 -1.61 0.00 0.00 179.24 176.79 1tvi h GLU 43 N 0.00 0.26 0.00 0.28 4.39 -1.90 -3.20 114.58 114.41 1tvi h GLU 43 Ca -0.00 -0.34 -0.13 0.00 0.34 0.00 0.00 59.36 59.22 1tvi h GLU 43 Cb 0.97 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 1tvi h GLU 43 CO 0.06 1.08 -0.99 0.97 -1.16 0.00 0.00 179.01 178.97 1tvi h ILE 44 N 0.13 0.65 -0.48 3.13 2.10 -0.34 -2.74 117.51 119.96 1tvi h ILE 44 Ca -0.08 -2.06 0.06 0.00 1.08 0.00 0.00 64.86 63.86 1tvi h ILE 44 Cb 1.68 2.19 -0.05 0.00 -1.09 0.00 0.00 36.82 39.54 1tvi h ILE 44 CO 0.16 0.37 0.18 0.50 -1.08 0.00 0.00 178.15 178.28 1tvi h LYS 45 N 0.00 0.36 0.03 2.19 3.11 0.26 0.21 116.57 122.72 1tvi h LYS 45 Ca -0.08 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.69 1tvi h LYS 45 Cb 1.47 -0.08 0.01 0.00 -1.00 0.00 0.00 32.23 32.63 1tvi h LYS 45 CO 0.05 0.24 -0.20 0.93 -2.81 0.00 0.00 179.45 177.66 1tvi h GLU 46 N 0.37 0.09 -1.40 1.90 5.08 -1.65 -3.23 114.58 115.73 1tvi h GLU 46 Ca 0.22 -0.13 0.41 0.00 -1.00 0.00 0.00 59.36 58.86 1tvi h GLU 46 Cb 0.22 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 1tvi h GLU 46 CO -0.22 1.01 1.00 1.25 -1.00 0.00 0.00 179.01 181.06 1tvi h LEU 47 N -0.77 0.01 0.40 1.33 7.12 -1.30 1.00 115.31 123.11 1tvi h LEU 47 Ca -0.03 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.96 1tvi h LEU 47 Cb 1.10 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 1tvi h LEU 47 CO 0.04 -0.00 -0.19 -1.13 -0.13 0.00 0.00 178.44 177.02 1tvi h ASN 48 N 0.01 -0.46 0.69 1.25 -0.73 -0.97 -2.88 115.58 112.49 1tvi h ASN 48 Ca 0.67 -0.04 -0.12 0.00 1.87 0.00 0.00 56.30 58.67 1tvi h ASN 48 Cb 2.66 0.12 -0.02 0.00 0.27 0.00 0.00 38.32 41.35 1tvi h ASN 48 CO -0.02 -0.24 -0.59 0.06 -0.37 0.00 0.00 177.43 176.27 1tvi h GLN 49 N -0.65 0.00 -1.43 6.67 3.07 0.11 0.95 115.11 123.83 1tvi h GLN 49 Ca -0.06 0.00 0.42 0.00 0.09 0.00 0.00 58.65 59.10 1tvi h GLN 49 Cb 0.47 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.98 1tvi h GLN 49 CO 0.09 0.59 1.04 1.96 0.09 0.00 0.00 178.83 182.60 1tvi h GLN 50 N 0.00 0.00 0.00 0.06 4.20 0.93 0.39 115.11 120.69 1tvi h GLN 50 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1tvi h GLN 50 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1tvi h GLN 50 CO 0.08 0.00 -0.51 1.19 -0.67 0.00 0.00 178.83 178.91 1tvi n PHE 51 N -4.07 0.00 0.25 2.96 3.01 -1.15 -4.77 117.46 113.69 1tvi n PHE 51 Ca 0.31 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.90 1tvi n PHE 51 Cb 1.50 0.13 0.57 0.00 -0.01 0.00 0.00 39.48 41.67 1tvi n PHE 51 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1tvi h ARG 52 N 0.00 0.00 0.00 -1.08 9.65 0.94 -3.46 114.38 120.43 1tvi h ARG 52 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1tvi h ARG 52 Cb 0.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1tvi h ARG 52 CO 0.00 0.13 0.00 0.41 2.80 0.00 0.00 179.97 183.31 1tvi n GLY 53 N 0.01 0.50 3.63 2.80 0.00 0.14 -4.88 105.19 107.40 1tvi n GLY 53 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.53 3.21 -0.72 1.61 -0.21 -1.26 -4.84 119.66 116.93 1tvi s GLN 54 Ca 0.00 -0.43 -0.18 0.00 0.02 0.00 0.00 55.36 54.77 1tvi s GLN 54 Cb 0.00 -2.85 0.13 0.00 1.00 0.00 0.00 33.01 31.29 1tvi s GLN 54 CO 0.00 0.56 0.83 0.34 -2.12 0.00 0.00 175.29 174.91 1tvi s ASP 55 N -0.49 6.40 -0.29 5.90 2.15 -1.26 -1.59 116.67 127.49 1tvi s ASP 55 Ca 0.09 -1.80 -0.17 0.00 0.43 0.00 0.00 52.55 51.10 1tvi s ASP 55 Cb -0.12 -2.31 0.18 0.00 -0.30 0.00 0.00 42.92 40.36 1tvi s ASP 55 CO 0.02 -1.02 1.13 0.00 -0.17 0.00 0.00 175.17 175.13 1tvi s ARG 56 N 2.28 0.21 1.05 4.34 1.70 -1.26 -5.07 118.95 122.21 1tvi s ARG 56 Ca 0.18 0.36 -0.16 0.00 -0.47 0.00 0.00 55.73 55.64 1tvi s ARG 56 Cb -0.16 0.05 0.22 0.00 -0.57 0.00 0.00 34.95 34.48 1tvi s ARG 56 CO -0.00 -0.04 1.20 -1.25 -1.08 0.00 0.00 175.30 174.13 1tvi s PRO 57 N 1.12 0.02 0.27 3.89 0.04 -1.26 -4.80 135.00 134.26 1tvi s PRO 57 Ca -0.08 -0.13 -0.20 0.00 0.04 0.00 0.00 61.00 60.63 1tvi s PRO 57 Cb -0.03 -1.75 0.07 0.00 0.04 0.00 0.00 34.50 32.83 1tvi s PRO 57 CO -0.12 -2.88 0.93 -0.08 0.04 0.00 0.00 177.00 174.89 1tvi s THR 58 N -3.42 0.00 -0.00 1.26 -1.32 -1.26 -5.05 115.64 105.84 1tvi s THR 58 Ca 0.71 -0.76 -0.01 0.00 -1.21 0.00 0.00 61.69 60.41 1tvi s THR 58 Cb -0.08 -2.84 -0.01 0.00 -1.51 0.00 0.00 72.50 68.06 1tvi s THR 58 CO 0.54 0.00 0.43 0.44 -2.21 0.00 0.00 174.62 173.82 1tvi h ASP 59 N 2.00 -0.04 -3.79 8.08 3.32 -1.95 -3.45 116.42 120.58 1tvi h ASP 59 Ca -0.29 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.40 1tvi h ASP 59 Cb 1.23 0.01 -0.30 0.00 0.22 0.00 0.00 39.33 40.49 1tvi h ASP 59 CO 0.37 -0.00 -0.76 0.54 -1.72 0.00 0.00 179.24 177.67 1tvi s VAL 60 N -1.94 0.50 -0.15 -1.35 0.11 -1.26 -3.61 120.40 112.69 1tvi s VAL 60 Ca -0.01 -0.21 -0.13 0.00 -2.93 0.00 0.00 61.98 58.70 1tvi s VAL 60 Cb 0.00 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.35 1tvi s VAL 60 CO 0.02 0.17 0.28 -0.76 -3.33 0.00 0.00 175.10 171.48 1tvi s LEU 61 N 0.19 4.26 0.03 2.54 1.02 0.27 -5.00 118.68 122.00 1tvi s LEU 61 Ca -0.02 0.51 0.08 0.00 0.02 0.00 0.00 54.13 54.72 1tvi s LEU 61 Cb -0.06 -2.35 -0.02 0.00 0.02 0.00 0.00 46.19 43.77 1tvi s LEU 61 CO -0.00 0.13 -0.24 0.28 0.02 0.00 0.00 176.35 176.54 1tvi s THR 62 N 0.31 1.90 0.80 5.49 -1.32 -1.26 -0.11 115.64 121.44 1tvi s THR 62 Ca 0.16 -1.22 -0.12 0.00 -1.21 0.00 0.00 61.69 59.31 1tvi s THR 62 Cb -0.13 -1.62 0.07 0.00 -1.51 0.00 0.00 72.50 69.31 1tvi s THR 62 CO 0.04 0.35 1.15 -0.36 -2.21 0.00 0.00 174.62 173.60 1tvi s PHE 63 N -0.73 2.99 -0.38 9.09 0.40 -1.25 -4.96 117.98 123.14 1tvi s PHE 63 Ca 0.10 0.84 -0.29 0.00 -0.60 0.00 0.00 56.93 56.98 1tvi s PHE 63 Cb -0.09 -3.38 0.01 0.00 0.51 0.00 0.00 43.02 40.06 1tvi s PHE 63 CO 0.01 -1.70 1.40 -1.25 0.70 0.00 0.00 175.22 174.38 1tvi s PRO 64 N -5.49 3.65 0.00 0.24 0.04 -1.26 -4.71 135.00 127.47 1tvi s PRO 64 Ca 0.61 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1tvi s PRO 64 Cb -0.11 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1tvi s PRO 64 CO 0.50 -1.47 0.00 1.28 0.04 0.00 0.00 177.00 177.36 1tvi n LEU 65 N 8.57 0.00 -2.01 -3.56 4.77 -1.26 -5.00 117.00 118.50 1tvi n LEU 65 Ca 0.16 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.04 1tvi n LEU 65 Cb 0.48 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1tvi n LEU 65 CO 0.69 -0.38 -0.12 0.80 -1.33 0.00 0.00 177.39 177.05 1tvi n MET 66 N -2.14 -1.93 -3.39 3.23 1.56 -1.26 -4.90 117.12 108.29 1tvi n MET 66 Ca 0.00 0.53 -0.18 0.00 -0.27 0.00 0.00 57.70 57.79 1tvi n MET 66 Cb 0.00 -4.97 -0.03 0.00 2.15 0.00 0.00 33.22 30.37 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 -2.34 1.26 -1.64 2.12 1.02 -1.26 -5.03 120.64 114.76 1tvi n GLU 67 Ca -0.11 -2.07 -0.35 0.00 -0.02 0.00 0.00 57.16 54.60 1tvi n GLU 67 Cb 0.49 0.50 0.04 0.00 -0.02 0.00 0.00 31.44 32.45 1tvi n GLU 67 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1tvi n GLU 68 N -0.81 2.63 0.00 3.49 2.13 -1.26 -4.64 120.64 122.18 1tvi n GLU 68 Ca -0.10 -3.18 0.00 0.00 0.66 0.00 0.00 57.16 54.54 1tvi n GLU 68 Cb 0.36 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 29.85 1tvi n GLU 68 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1tvi n ASP 69 N -0.40 0.00 0.18 4.31 5.68 -1.26 -4.77 116.55 120.29 1tvi n ASP 69 Ca 0.54 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.71 1tvi n ASP 69 Cb 0.41 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.33 1tvi n ASP 69 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1tvi h VAL 70 N 0.00 0.00 -6.25 2.12 2.07 -1.83 -3.44 116.25 108.92 1tvi h VAL 70 Ca 0.00 0.00 -0.47 0.00 0.82 0.00 0.00 66.70 67.05 1tvi h VAL 70 Cb 0.00 0.00 -0.29 0.00 -1.52 0.00 0.00 31.29 29.48 1tvi h VAL 70 CO 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 177.57 176.90 1tvi n TYR 71 N -4.41 -0.97 -2.02 1.57 9.36 -1.22 -4.79 117.16 114.69 1tvi n TYR 71 Ca -0.08 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.66 1tvi n TYR 71 Cb 0.30 -1.45 0.00 0.00 -0.63 0.00 0.00 39.34 37.56 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 -0.92 5.38 3.22 2.98 0.00 -1.05 -4.93 105.19 109.87 1tvi n GLY 72 Ca 0.09 -1.29 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 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 1.98 1.11 0.04 1.61 -1.05 -1.26 -1.56 118.70 119.57 1tvi s GLU 73 Ca 0.00 -0.95 0.01 0.00 -0.15 0.00 0.00 54.97 53.88 1tvi s GLU 73 Cb 0.00 -1.22 -0.02 0.00 -0.44 0.00 0.00 34.13 32.45 1tvi s GLU 73 CO 0.00 0.30 -0.05 0.96 0.95 0.00 0.00 175.26 177.42 1tvi s ILE 74 N -0.97 0.30 -0.13 1.83 -4.36 0.38 -3.74 121.20 114.50 1tvi s ILE 74 Ca 0.04 -1.12 -0.02 0.00 -0.26 0.00 0.00 60.65 59.29 1tvi s ILE 74 Cb -0.09 -0.59 -0.02 0.00 1.25 0.00 0.00 42.46 43.00 1tvi s ILE 74 CO 0.02 -0.54 -0.07 -0.31 0.24 0.00 0.00 174.94 174.29 1tvi s TYR 75 N -1.83 2.96 0.13 1.37 1.51 0.85 0.58 117.35 122.92 1tvi s TYR 75 Ca -0.10 -0.32 0.08 0.00 -1.01 0.00 0.00 57.07 55.72 1tvi s TYR 75 Cb -0.07 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1tvi s TYR 75 CO -0.02 -0.01 -0.19 0.08 -1.11 0.00 0.00 175.55 174.30 1tvi s VAL 76 N 0.13 1.75 -0.25 0.71 1.01 -0.28 0.98 120.40 124.46 1tvi s VAL 76 Ca -0.03 -1.72 -0.04 0.00 0.00 0.00 0.00 61.98 60.20 1tvi s VAL 76 Cb -0.14 -1.69 0.10 0.00 0.00 0.00 0.00 36.38 34.65 1tvi s VAL 76 CO 0.03 -0.19 0.17 0.00 0.00 0.00 0.00 175.10 175.11 1tvi n PRO 78 N 5.28 0.74 0.09 0.00 -0.04 -1.26 -2.92 135.00 136.88 1tvi n PRO 78 Ca -0.05 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.30 1tvi n PRO 78 Cb 0.45 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.25 -0.29 1.53 5.85 -1.92 -1.07 115.31 119.15 1tvi h LEU 79 Ca 0.00 -0.27 -0.19 0.00 0.84 0.00 0.00 57.88 58.26 1tvi h LEU 79 Cb 0.01 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1tvi h LEU 79 CO 0.00 0.25 -0.63 0.40 -0.34 0.00 0.00 178.44 178.13 1tvi h ILE 80 N -0.89 1.29 -0.53 4.05 5.03 -1.86 -2.62 117.51 121.98 1tvi h ILE 80 Ca -0.03 -1.83 0.06 0.00 -0.12 0.00 0.00 64.86 62.93 1tvi h ILE 80 Cb 0.51 1.78 -0.05 0.00 -3.03 0.00 0.00 36.82 36.02 1tvi h ILE 80 CO 0.05 0.59 0.24 0.58 -0.68 0.00 0.00 178.15 178.93 1tvi h VAL 81 N 0.58 0.90 -0.01 1.67 2.07 -1.62 1.43 116.25 121.28 1tvi h VAL 81 Ca -0.01 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1tvi h VAL 81 Cb 1.23 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1tvi h VAL 81 CO 0.13 0.08 -0.01 -0.33 0.02 0.00 0.00 177.57 177.46 1tvi h GLU 82 N 0.46 -0.02 -0.61 1.57 5.08 -1.12 0.60 114.58 120.54 1tvi h GLU 82 Ca 0.24 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.52 1tvi h GLU 82 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1tvi h GLU 82 CO -0.20 -0.01 0.06 1.49 -1.00 0.00 0.00 179.01 179.35 1tvi h GLU 83 N -0.02 1.03 -0.07 2.33 4.57 -1.00 0.13 114.58 121.55 1tvi h GLU 83 Ca 0.01 -0.28 -0.07 0.00 -1.18 0.00 0.00 59.36 57.83 1tvi h GLU 83 Cb 0.03 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 1tvi h GLU 83 CO -0.02 0.97 -0.30 -0.91 -1.18 0.00 0.00 179.01 177.57 1tvi h ASN 84 N 0.96 0.13 1.05 1.04 -0.26 0.24 -1.90 115.58 116.82 1tvi h ASN 84 Ca 0.18 -0.04 -0.16 0.00 -0.56 0.00 0.00 56.30 55.72 1tvi h ASN 84 Cb 0.47 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.67 1tvi h ASN 84 CO 0.02 0.43 -0.78 0.00 -1.06 0.00 0.00 177.43 176.04 1tvi h ALA 85 N 1.58 0.56 0.00 -0.83 0.00 0.87 -2.95 119.26 118.49 1tvi h ALA 85 Ca 0.02 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 1tvi h ALA 85 Cb 0.60 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1tvi h ALA 85 CO 0.04 0.98 -0.30 0.00 0.00 0.00 0.00 179.25 179.97 1tvi h ARG 86 N 0.00 0.00 0.00 0.00 3.08 0.03 1.83 114.38 119.32 1tvi h ARG 86 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1tvi h ARG 86 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.57 1tvi h ARG 86 CO 0.10 0.30 -0.44 1.05 -1.07 0.00 0.00 179.97 179.91 1tvi h GLU 87 N 0.00 0.00 -0.11 0.04 4.11 -1.38 -3.27 114.58 113.97 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 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1tvi h GLU 87 CO 0.04 0.00 0.00 0.34 0.07 0.00 0.00 179.01 179.46 1tvi n PHE 88 N -2.60 0.14 -1.68 2.06 7.35 -0.68 -4.95 117.46 117.10 1tvi n PHE 88 Ca 0.03 -0.48 -0.09 0.00 -0.76 0.00 0.00 57.45 56.14 1tvi n PHE 88 Cb 0.50 -0.04 -0.03 0.00 0.35 0.00 0.00 39.48 40.26 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 -0.16 -2.74 -4.84 -2.13 5.15 0.58 -4.88 115.26 106.24 1tvi n ASN 89 Ca 0.04 0.24 -0.32 0.00 -0.60 0.00 0.00 54.58 53.95 1tvi n ASN 89 Cb 0.30 -2.57 0.00 0.00 -0.53 0.00 0.00 39.78 36.98 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 -1.88 6.17 -0.79 1.20 2.47 0.11 -4.97 114.94 117.26 1tvi s ASN 90 Ca 0.00 1.57 -0.25 0.00 0.42 0.00 0.00 52.86 54.60 1tvi s ASN 90 Cb 0.00 -2.50 0.05 0.00 -1.45 0.00 0.00 41.25 37.35 1tvi s ASN 90 CO 0.00 -0.90 1.24 0.42 -3.72 0.00 0.00 177.10 174.14 1tvi s THR 91 N -2.84 3.94 0.51 -5.21 -4.23 -1.26 -4.59 115.64 101.95 1tvi s THR 91 Ca 0.58 -0.08 0.38 0.00 -1.18 0.00 0.00 61.69 61.39 1tvi s THR 91 Cb -0.12 -4.89 0.58 0.00 1.34 0.00 0.00 72.50 69.42 1tvi s THR 91 CO 0.43 -1.77 1.68 0.15 -0.54 0.00 0.00 174.62 174.57 1tvi h PHE 92 N 9.82 0.21 0.24 3.99 3.57 -1.88 0.53 116.94 133.42 1tvi h PHE 92 Ca -0.17 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1tvi h PHE 92 Cb 1.05 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1tvi h PHE 92 CO 1.13 -0.05 -0.12 1.05 -2.23 0.00 0.00 178.31 178.09 1tvi h GLU 93 N 0.06 -0.32 -0.10 1.11 4.11 -1.92 0.36 114.58 117.88 1tvi h GLU 93 Ca 0.76 0.02 -0.04 0.00 0.07 0.00 0.00 59.36 60.17 1tvi h GLU 93 Cb 2.78 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 32.10 1tvi h GLU 93 CO -0.15 -0.09 -0.14 1.57 0.07 0.00 0.00 179.01 180.28 1tvi h LYS 94 N -0.50 0.16 0.00 1.06 5.09 -0.48 -0.49 116.57 121.41 1tvi h LYS 94 Ca -0.03 -0.03 -0.05 0.00 0.09 0.00 0.00 60.65 60.62 1tvi h LYS 94 Cb 0.37 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 32.67 1tvi h LYS 94 CO 0.06 0.30 -0.25 0.93 -2.09 0.00 0.00 179.45 178.40 1tvi h GLU 95 N 0.15 0.00 0.13 0.07 4.39 -0.52 -2.01 114.58 116.79 1tvi h GLU 95 Ca 0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1tvi h GLU 95 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1tvi h GLU 95 CO 0.02 0.25 -0.06 1.25 -1.16 0.00 0.00 179.01 179.31 1tvi h LEU 96 N 0.00 -0.14 -2.21 1.33 7.12 0.12 -3.22 115.31 118.31 1tvi h LEU 96 Ca -0.00 -0.10 0.05 0.00 0.13 0.00 0.00 57.88 57.96 1tvi h LEU 96 Cb 0.94 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 41.10 1tvi h LEU 96 CO 0.03 0.38 0.19 0.17 -0.13 0.00 0.00 178.44 179.08 1tvi h LEU 97 N -1.03 0.00 -0.35 2.25 8.10 -1.32 -0.60 115.31 122.37 1tvi h LEU 97 Ca -0.02 0.00 0.02 0.00 0.11 0.00 0.00 57.88 58.00 1tvi h LEU 97 Cb 0.24 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.43 1tvi h LEU 97 CO 0.03 0.00 0.18 -0.08 -4.11 0.00 0.00 178.44 174.46 1tvi h GLU 98 N 0.00 0.36 0.00 0.17 4.81 -1.39 0.99 114.58 119.52 1tvi h GLU 98 Ca 0.09 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1tvi h GLU 98 Cb 0.47 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 1tvi h GLU 98 CO -0.00 0.24 -0.12 -0.39 -0.73 0.00 0.00 179.01 178.01 1tvi h VAL 99 N 0.37 0.57 0.21 0.32 -1.51 -1.11 0.88 116.25 115.97 1tvi h VAL 99 Ca 0.15 -0.52 -0.01 0.00 -1.23 0.00 0.00 66.70 65.09 1tvi h VAL 99 Cb 0.05 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1tvi h VAL 99 CO -0.10 0.11 -0.10 0.58 -1.23 0.00 0.00 177.57 176.84 1tvi h VAL 100 N 0.00 0.73 0.00 7.19 2.07 -0.83 -3.04 116.25 122.37 1tvi h VAL 100 Ca -0.00 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1tvi h VAL 100 Cb 0.32 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1tvi h VAL 100 CO 0.02 0.18 0.00 0.16 0.02 0.00 0.00 177.57 177.94 1tvi h ILE 101 N -0.88 0.00 -1.00 4.57 3.07 -0.61 -2.49 117.51 120.18 1tvi h ILE 101 Ca -0.03 -0.20 0.17 0.00 1.55 0.00 0.00 64.86 66.35 1tvi h ILE 101 Cb 0.51 1.00 -0.10 0.00 -0.27 0.00 0.00 36.82 37.96 1tvi h ILE 101 CO 0.05 0.00 0.61 -0.74 -1.05 0.00 0.00 178.15 177.02 1tvi h HIS 102 N 0.00 1.08 0.05 0.16 2.76 -0.70 2.26 115.15 120.75 1tvi h HIS 102 Ca 0.00 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.13 1tvi h HIS 102 Cb 0.24 -0.33 0.01 0.00 1.55 0.00 0.00 27.41 28.89 1tvi h HIS 102 CO 0.00 0.28 -0.32 0.78 -1.30 0.00 0.00 177.93 177.37 1tvi h GLY 103 N 0.81 0.14 0.97 5.26 0.00 -1.56 -2.78 103.07 105.91 1tvi h GLY 103 Ca 0.56 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 1tvi h GLY 103 CO -0.36 0.30 -0.21 -2.22 0.00 0.00 0.00 176.54 174.06 1tvi h ILE 104 N -0.73 0.58 -1.00 2.60 2.04 -1.39 -2.24 117.51 117.37 1tvi h ILE 104 Ca -0.05 -0.07 0.18 0.00 1.00 0.00 0.00 64.86 65.92 1tvi h ILE 104 Cb 1.23 0.62 -0.10 0.00 -0.74 0.00 0.00 36.82 37.82 1tvi h ILE 104 CO 0.06 0.01 0.62 0.17 0.00 0.00 0.00 178.15 179.01 1tvi h LEU 105 N -0.62 0.79 0.09 1.44 8.10 0.36 0.72 115.31 126.19 1tvi h LEU 105 Ca -0.06 0.09 0.01 0.00 0.11 0.00 0.00 57.88 58.03 1tvi h LEU 105 Cb 0.47 -0.05 -0.04 0.00 -0.44 0.00 0.00 40.66 40.59 1tvi h LEU 105 CO 0.10 0.30 -0.46 -0.74 -4.11 0.00 0.00 178.44 173.52 1tvi h HIS 106 N 0.78 -1.34 0.00 0.17 2.76 -1.11 0.17 115.15 116.58 1tvi h HIS 106 Ca 0.57 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.78 1tvi h HIS 106 Cb 0.87 0.57 0.00 0.00 1.55 0.00 0.00 27.41 30.40 1tvi h HIS 106 CO -0.00 -0.52 0.00 1.25 -1.30 0.00 0.00 177.93 177.36 1tvi h LEU 107 N -0.65 0.00 -1.28 0.26 6.46 -0.88 -1.61 115.31 117.62 1tvi h LEU 107 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1tvi h LEU 107 Cb 0.66 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1tvi h LEU 107 CO -0.26 0.00 0.00 0.00 -0.62 0.00 0.00 178.44 177.56 1tvi h ALA 108 N 2.16 1.00 0.00 1.25 0.00 0.33 -3.47 119.26 120.54 1tvi h ALA 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tvi h ALA 108 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1tvi h ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1tvi n GLY 109 N -0.12 4.15 3.72 0.00 0.00 -0.55 -5.03 105.19 107.36 1tvi n GLY 109 Ca 0.01 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 1tvi n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tvi s TYR 110 N 0.00 1.84 -5.00 1.61 1.51 -1.25 -4.68 117.35 111.39 1tvi s TYR 110 Ca 0.00 -1.02 0.00 0.00 -1.01 0.00 0.00 57.07 55.04 1tvi s TYR 110 Cb 0.00 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 1tvi s TYR 110 CO 0.00 0.13 0.00 -0.40 -1.11 0.00 0.00 175.55 174.17 1tvi n ASP 111 N -1.28 0.00 0.00 2.29 5.68 -1.26 -5.06 116.55 116.91 1tvi n ASP 111 Ca -0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 1tvi n ASP 111 Cb 0.67 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 1tvi n ASP 111 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1tvi n HIS 112 N 1.21 0.00 0.00 2.11 -0.00 -1.26 -4.07 115.22 113.21 1tvi n HIS 112 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1tvi n HIS 112 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1tvi n HIS 112 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1tvi n GLU 113 N 0.00 0.00 -2.63 1.57 1.02 -1.26 -4.98 120.64 114.36 1tvi n GLU 113 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 1tvi n GLU 113 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1tvi n GLU 113 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1tvi n PHE 114 N 0.00 -1.50 -3.72 -0.32 7.35 -1.26 -4.93 117.46 113.08 1tvi n PHE 114 Ca 0.00 0.11 -0.36 0.00 -0.76 0.00 0.00 57.45 56.43 1tvi n PHE 114 Cb 0.00 -2.91 -0.06 0.00 0.35 0.00 0.00 39.48 36.86 1tvi n PHE 114 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1tvi s GLU 115 N -5.23 3.63 -0.84 -4.13 2.02 -1.26 -4.96 118.70 107.93 1tvi s GLU 115 Ca 0.08 0.05 -0.22 0.00 0.02 0.00 0.00 54.97 54.90 1tvi s GLU 115 Cb -0.04 -3.14 -0.20 0.00 0.10 0.00 0.00 34.13 30.84 1tvi s GLU 115 CO 0.10 0.70 2.41 -0.40 0.02 0.00 0.00 175.26 178.08 1tvi n ASP 116 N 1.55 0.57 0.03 -0.19 5.75 -1.26 -3.11 116.55 119.88 1tvi n ASP 116 Ca -0.14 -0.62 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 1tvi n ASP 116 Cb 0.53 -1.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 1tvi n ASP 116 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1tvi n LYS 117 N 7.78 0.00 -3.58 0.11 0.00 -1.26 -5.16 118.16 116.05 1tvi n LYS 117 Ca 0.56 0.00 0.02 0.00 0.00 0.00 0.00 58.31 58.89 1tvi n LYS 117 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.30 1tvi n LYS 117 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1tvi s ASN 118 N -1.88 -0.03 -0.30 3.14 -0.87 -1.18 -5.16 114.94 108.67 1tvi s ASN 118 Ca 0.00 -0.05 -0.07 0.00 -1.57 0.00 0.00 52.86 51.17 1tvi s ASN 118 Cb 0.00 0.06 0.18 0.00 -0.02 0.00 0.00 41.25 41.47 1tvi s ASN 118 CO 0.00 -0.12 0.79 -0.44 -2.57 0.00 0.00 177.10 174.76 1tvi s SER 119 N -2.90 -0.99 -0.15 -1.22 0.01 -1.26 -4.52 113.70 102.67 1tvi s SER 119 Ca 0.14 0.71 -0.25 0.00 1.31 0.00 0.00 55.95 57.86 1tvi s SER 119 Cb 0.06 1.86 -0.22 0.00 0.21 0.00 0.00 66.02 67.93 1tvi s SER 119 CO -0.05 -0.19 0.59 0.50 0.41 0.00 0.00 173.24 174.50 1tvi h LYS 120 N 7.96 0.00 0.14 12.44 1.63 -1.98 -2.76 116.57 134.00 1tvi h LYS 120 Ca -0.19 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1tvi h LYS 120 Cb 1.16 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1tvi h LYS 120 CO 0.11 0.90 -0.10 0.93 -3.45 0.00 0.00 179.45 177.85 1tvi h GLU 121 N -1.00 -0.23 -0.43 1.90 4.39 -1.96 -1.46 114.58 115.79 1tvi h GLU 121 Ca -0.06 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.71 1tvi h GLU 121 Cb 0.97 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.62 1tvi h GLU 121 CO -0.04 -0.15 0.13 1.98 -1.16 0.00 0.00 179.01 179.76 1tvi h MET 122 N -0.24 0.27 -0.86 2.33 4.05 -1.85 0.14 114.93 118.77 1tvi h MET 122 Ca -0.01 -0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.50 1tvi h MET 122 Cb 0.21 -0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 30.87 1tvi h MET 122 CO 0.00 0.18 0.50 0.35 0.23 0.00 0.00 176.91 178.17 1tvi h PHE 123 N 0.28 0.90 0.53 1.39 3.04 -1.21 1.49 116.94 123.36 1tvi h PHE 123 Ca 0.20 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.16 1tvi h PHE 123 Cb 0.22 -0.28 0.01 0.00 2.56 0.00 0.00 35.95 38.45 1tvi h PHE 123 CO -0.17 0.36 -0.25 0.93 -2.02 0.00 0.00 178.31 177.15 1tvi h GLU 124 N 0.82 -0.68 -0.78 1.11 4.39 -0.26 0.31 114.58 119.48 1tvi h GLU 124 Ca 0.42 0.05 0.13 0.00 0.34 0.00 0.00 59.36 60.29 1tvi h GLU 124 Cb 0.40 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.15 1tvi h GLU 124 CO -0.26 -0.45 0.51 -0.22 -1.16 0.00 0.00 179.01 177.43 1tvi h LYS 125 N -1.08 0.55 -0.45 2.33 3.64 -0.56 0.21 116.57 121.21 1tvi h LYS 125 Ca -0.07 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.17 1tvi h LYS 125 Cb 0.54 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1tvi h LYS 125 CO 0.12 0.36 -0.15 0.37 -2.27 0.00 0.00 179.45 177.88 1tvi h GLN 126 N 0.56 0.84 0.00 1.90 4.15 0.21 -1.91 115.11 120.87 1tvi h GLN 126 Ca 0.38 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1tvi h GLN 126 Cb 0.68 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1tvi h GLN 126 CO -0.14 0.93 0.00 0.87 -1.93 0.00 0.00 178.83 178.56 1tvi h LYS 127 N 0.75 0.00 0.60 1.69 1.79 0.15 -1.57 116.57 119.97 1tvi h LYS 127 Ca 0.12 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 1tvi h LYS 127 Cb 0.66 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.32 1tvi h LYS 127 CO 0.05 0.00 -0.29 -0.22 -1.08 0.00 0.00 179.45 177.91 1tvi h LYS 128 N 0.00 -0.77 -0.13 3.15 3.11 -0.06 0.15 116.57 122.02 1tvi h LYS 128 Ca 0.00 0.05 -0.20 0.00 -2.81 0.00 0.00 60.65 57.69 1tvi h LYS 128 Cb 0.61 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 1tvi h LYS 128 CO 0.00 -0.46 -0.74 1.88 -2.81 0.00 0.00 179.45 177.32 1tvi h TYR 129 N -0.98 0.85 -0.45 1.91 0.05 -1.53 -2.46 116.97 114.36 1tvi h TYR 129 Ca -0.08 -0.37 0.03 0.00 0.05 0.00 0.00 58.73 58.36 1tvi h TYR 129 Cb 0.67 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.24 1tvi h TYR 129 CO -0.00 1.17 0.24 0.28 -1.05 0.00 0.00 178.16 178.79 1tvi h VAL 130 N 0.44 0.99 -0.51 -2.88 2.07 -1.30 1.61 116.25 116.67 1tvi h VAL 130 Ca -0.04 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1tvi h VAL 130 Cb 1.34 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1tvi h VAL 130 CO 0.14 0.09 0.06 -0.33 0.02 0.00 0.00 177.57 177.55 1tvi h GLU 131 N 0.47 0.81 -0.12 1.57 4.39 -0.68 1.93 114.58 122.96 1tvi h GLU 131 Ca 0.19 -0.19 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 1tvi h GLU 131 Cb 0.08 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1tvi h GLU 131 CO -0.12 0.78 -0.67 0.93 -1.16 0.00 0.00 179.01 178.77 1tvi h GLU 132 N 0.77 0.67 0.14 2.33 5.08 -0.78 -0.46 114.58 122.33 1tvi h GLU 132 Ca 0.16 -0.56 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1tvi h GLU 132 Cb 0.38 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1tvi h GLU 132 CO 0.01 1.17 -0.07 0.28 -1.00 0.00 0.00 179.01 179.40 1tvi h VAL 133 N 0.33 0.80 0.00 3.13 2.07 0.26 -3.02 116.25 119.82 1tvi h VAL 133 Ca -0.05 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1tvi h VAL 133 Cb 1.31 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1tvi h VAL 133 CO 0.14 0.22 0.01 -0.25 0.02 0.00 0.00 177.57 177.71 1tvi h TRP 134 N -0.91 0.00 -0.18 1.57 7.01 0.29 -0.91 115.95 122.83 1tvi h TRP 134 Ca -0.02 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.03 1tvi h TRP 134 Cb 0.51 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.56 1tvi h TRP 134 CO 0.09 0.00 0.38 0.78 -2.79 0.00 0.00 178.44 176.90 1tvi h GLY 135 N 0.00 0.00 0.00 2.65 0.00 -0.93 2.24 103.07 107.03 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 -0.22 -2.09 0.00 0.00 0.00 176.54 174.23 1tvi h GLU 136 N 0.00 0.00 0.00 4.80 4.81 -1.33 -3.32 114.58 119.54 1tvi h GLU 136 Ca 0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1tvi h GLU 136 Cb 0.84 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 1tvi h GLU 136 CO -0.00 0.51 -0.03 -1.49 -0.73 0.00 0.00 179.01 177.27 1tvi h TRP 137 N -1.00 0.00 -0.76 0.92 6.55 -1.42 -2.58 115.95 117.66 1tvi h TRP 137 Ca -0.05 0.00 0.21 0.00 0.95 0.00 0.00 58.89 60.00 1tvi h TRP 137 Cb 0.61 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.88 1tvi h TRP 137 CO 0.09 0.03 0.54 -0.09 -1.05 0.00 0.00 178.44 177.96 1tvi h ARG 138 N 0.00 0.09 0.00 0.49 2.43 0.36 1.14 114.38 118.88 1tvi h ARG 138 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1tvi h ARG 138 Cb 0.50 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1tvi h ARG 138 CO 0.00 0.06 0.00 0.45 -1.51 0.00 0.00 179.97 178.97 1tvi n SER 139 N -4.36 0.15 -3.82 -3.80 2.88 -0.97 -4.02 113.62 99.68 1tvi n SER 139 Ca 0.15 0.55 -0.30 0.00 -1.33 0.00 0.00 58.87 57.94 1tvi n SER 139 Cb 0.77 -0.58 -0.15 0.00 -0.75 0.00 0.00 64.21 63.51 1tvi n SER 139 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1tvi s ASN 140 N -3.27 4.23 0.97 -3.46 0.01 0.39 -4.92 114.94 108.90 1tvi s ASN 140 Ca 0.03 -1.86 -0.14 0.00 -0.71 0.00 0.00 52.86 50.18 1tvi s ASN 140 Cb 0.06 -1.11 0.18 0.00 0.41 0.00 0.00 41.25 40.79 1tvi s ASN 140 CO 0.18 -0.40 1.17 -2.16 -1.51 0.00 0.00 177.10 174.38 1tvi s PRO 141 N 1.32 0.63 3.61 -0.60 0.04 -1.19 -4.48 135.00 134.33 1tvi s PRO 141 Ca 0.11 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1tvi s PRO 141 Cb -0.18 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1tvi s PRO 141 CO -0.19 -2.51 0.00 0.45 0.04 0.00 0.00 177.00 174.80 1tvi n SER 142 N -3.94 0.00 -0.60 6.66 2.88 -1.26 -1.76 113.62 115.60 1tvi n SER 142 Ca 0.09 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.63 1tvi n SER 142 Cb 0.59 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.00 0.00 -2.30 -1.46 1.02 -1.26 -4.85 120.64 111.79 1tvi n GLU 143 Ca 0.00 -0.45 0.01 0.00 -0.02 0.00 0.00 57.16 56.70 1tvi n GLU 143 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 31.44 31.35 1tvi n GLU 143 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1tvi n ASP 144 N 0.02 -0.15 0.00 1.62 2.03 -0.72 -5.09 116.55 114.27 1tvi n ASP 144 Ca -0.03 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.28 1tvi n ASP 144 Cb 0.60 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.22 1tvi n ASP 144 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1tvi n SER 145 N -0.15 0.00 -4.87 1.67 2.88 -1.26 -3.18 113.62 108.71 1tvi n SER 145 Ca 0.01 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.21 1tvi n SER 145 Cb 0.09 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.49 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 0.00 6.59 0.18 -3.46 1.47 -1.26 -5.00 116.67 115.20 1tvi s ASP 146 Ca 0.00 0.72 0.03 0.00 1.18 0.00 0.00 52.55 54.48 1tvi s ASP 146 Cb 0.00 -2.15 0.06 0.00 -0.34 0.00 0.00 42.92 40.49 1tvi s ASP 146 CO 0.00 0.17 1.42 1.55 0.68 0.00 0.00 175.17 179.00 1tvi h PRO 147 N 3.66 0.21 0.00 2.11 0.13 -2.04 -3.47 132.00 132.59 1tvi h PRO 147 Ca -0.49 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1tvi h PRO 147 Cb 1.19 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1tvi h PRO 147 CO 0.67 0.91 0.00 0.41 -0.23 0.00 0.00 178.00 179.76 1tvi n GLY 148 N 0.72 1.72 1.40 1.56 0.00 -1.26 -5.14 105.19 104.20 1tvi n GLY 148 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -3.95 0.00 1.61 4.81 -1.26 -5.32 118.16 114.05 1tvi n LYS 149 Ca 0.00 2.88 0.00 0.00 -0.87 0.00 0.00 58.31 60.32 1tvi n LYS 149 Cb 0.00 -3.18 0.00 0.00 0.02 0.00 0.00 35.03 31.87 1tvi n LYS 149 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44