#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 5.18 -0.24 1.12 1.09 -1.26 -4.83 121.20 122.26 1tvi s ILE 2 Ca 0.00 -0.48 -0.12 0.00 -1.10 0.00 0.00 60.65 58.94 1tvi s ILE 2 Cb 0.00 -3.79 -0.05 0.00 -1.06 0.00 0.00 42.46 37.56 1tvi s ILE 2 CO 0.00 -0.32 0.23 -0.13 -0.10 0.00 0.00 174.94 174.62 1tvi s ARG 3 N -3.74 4.08 -0.39 2.79 0.52 -0.36 -5.00 118.95 116.86 1tvi s ARG 3 Ca 0.38 -0.14 -0.09 0.00 -0.52 0.00 0.00 55.73 55.36 1tvi s ARG 3 Cb -0.10 -3.56 0.06 0.00 0.52 0.00 0.00 34.95 31.86 1tvi s ARG 3 CO 0.31 -0.02 0.20 0.42 0.02 0.00 0.00 175.30 176.24 1tvi s ILE 4 N 1.28 4.14 0.17 1.52 1.01 -1.26 -1.32 121.20 126.74 1tvi s ILE 4 Ca 0.11 -1.23 -0.14 0.00 0.00 0.00 0.00 60.65 59.39 1tvi s ILE 4 Cb -0.14 -3.45 -0.07 0.00 0.01 0.00 0.00 42.46 38.81 1tvi s ILE 4 CO 0.06 -0.36 0.56 -0.76 0.00 0.00 0.00 174.94 174.44 1tvi s LEU 5 N 1.44 4.30 0.00 2.97 2.01 0.54 -4.88 118.68 125.06 1tvi s LEU 5 Ca 0.02 1.07 0.00 0.00 0.01 0.00 0.00 54.13 55.22 1tvi s LEU 5 Cb -0.21 -3.38 0.00 0.00 0.01 0.00 0.00 46.19 42.61 1tvi s LEU 5 CO 0.03 0.06 0.00 0.61 1.01 0.00 0.00 176.35 178.06 1tvi n GLY 6 N 0.60 1.26 3.77 -3.19 0.00 -1.26 -1.44 105.19 104.92 1tvi n GLY 6 Ca -0.04 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 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 1.50 0.00 1.61 1.03 -1.16 -4.75 118.70 116.94 1tvi s GLU 7 Ca 0.00 -0.80 0.00 0.00 0.03 0.00 0.00 54.97 54.20 1tvi s GLU 7 Cb 0.00 0.53 0.00 0.00 -0.80 0.00 0.00 34.13 33.86 1tvi s GLU 7 CO 0.00 -0.69 0.00 0.41 -1.33 0.00 0.00 175.26 173.65 1tvi n GLY 8 N -0.45 4.25 3.31 -3.83 0.00 -1.26 -4.24 105.19 102.96 1tvi n GLY 8 Ca -0.06 -1.56 -0.49 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.98 118.16 119.50 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 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 33.58 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 6.80 2.45 0.27 3.14 0.00 -1.26 -4.65 105.19 111.96 1tvi n GLY 10 Ca 0.60 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 1tvi n GLY 10 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tvi h SER 11 N 0.70 -0.70 -0.65 1.61 4.64 -1.80 0.17 113.55 117.51 1tvi h SER 11 Ca 0.00 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 1tvi h SER 11 Cb 0.00 0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1tvi h SER 11 CO 0.00 -0.32 0.36 0.07 -0.87 0.00 0.00 176.83 176.07 1tvi h LYS 12 N -0.41 0.91 -0.61 4.77 2.10 -1.95 0.20 116.57 121.58 1tvi h LYS 12 Ca 0.05 -0.11 0.13 0.00 -2.00 0.00 0.00 60.65 58.72 1tvi h LYS 12 Cb 0.46 -0.18 -0.04 0.00 -0.90 0.00 0.00 32.23 31.58 1tvi h LYS 12 CO -0.18 0.69 0.41 1.25 -2.00 0.00 0.00 179.45 179.62 1tvi h LEU 13 N 0.89 0.26 0.08 7.07 5.85 -1.75 0.01 115.31 127.73 1tvi h LEU 13 Ca 0.23 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1tvi h LEU 13 Cb 0.04 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1tvi h LEU 13 CO -0.04 0.15 -0.04 0.25 -0.34 0.00 0.00 178.44 178.42 1tvi h LEU 14 N 0.29 -0.09 -1.83 2.25 7.12 0.64 -3.13 115.31 120.55 1tvi h LEU 14 Ca 0.29 -0.50 0.00 0.00 0.13 0.00 0.00 57.88 57.80 1tvi h LEU 14 Cb 0.75 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.90 1tvi h LEU 14 CO -0.07 0.57 0.39 -0.33 -0.13 0.00 0.00 178.44 178.88 1tvi h GLU 15 N -0.88 0.00 -0.21 1.25 5.08 -0.13 1.02 114.58 120.71 1tvi h GLU 15 Ca -0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1tvi h GLU 15 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1tvi h GLU 15 CO 0.02 0.00 -0.57 -0.91 -1.00 0.00 0.00 179.01 176.54 1tvi h ASN 16 N 0.00 0.74 -0.55 1.42 4.21 -0.97 -3.28 115.58 117.15 1tvi h ASN 16 Ca 0.00 -0.41 -0.39 0.00 1.21 0.00 0.00 56.30 56.72 1tvi h ASN 16 Cb 0.78 -0.21 -0.39 0.00 -1.12 0.00 0.00 38.32 37.38 1tvi h ASN 16 CO -0.00 1.15 -0.91 0.00 -1.29 0.00 0.00 177.43 176.38 1tvi n LEU 17 N -3.96 3.43 0.16 1.61 -0.00 0.27 -4.84 117.00 113.67 1tvi n LEU 17 Ca -0.04 -3.96 -0.13 0.00 -0.00 0.00 0.00 56.01 51.87 1tvi n LEU 17 Cb 0.63 -0.05 -0.08 0.00 -0.00 0.00 0.00 43.42 43.92 1tvi n LEU 17 CO 0.48 1.61 0.58 0.50 -0.00 0.00 0.00 177.39 180.56 1tvi h LYS 18 N 2.20 -0.39 -0.00 1.47 3.64 0.59 -2.52 116.57 121.55 1tvi h LYS 18 Ca 0.14 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1tvi h LYS 18 Cb 1.42 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.33 1tvi h LYS 18 CO 0.48 -0.09 0.04 1.05 -2.27 0.00 0.00 179.45 178.65 1tvi h GLU 19 N -0.71 0.00 -0.61 1.90 4.11 -1.85 0.30 114.58 117.72 1tvi h GLU 19 Ca -0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.35 1tvi h GLU 19 Cb 0.49 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1tvi h GLU 19 CO 0.07 0.00 0.23 0.87 0.07 0.00 0.00 179.01 180.25 1tvi h LYS 20 N 0.00 0.89 0.12 1.06 6.56 -1.80 -2.29 116.57 121.11 1tvi h LYS 20 Ca 0.00 -0.15 -0.27 0.00 -1.06 0.00 0.00 60.65 59.17 1tvi h LYS 20 Cb 0.08 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.59 1tvi h LYS 20 CO -0.00 0.74 -1.26 -0.07 -2.06 0.00 0.00 179.45 176.80 1tvi h LEU 21 N 0.88 0.39 -2.18 2.94 3.38 -0.93 -3.18 115.31 116.62 1tvi h LEU 21 Ca 0.21 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1tvi h LEU 21 Cb 0.19 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1tvi h LEU 21 CO -0.02 1.34 0.28 -0.33 0.09 0.00 0.00 178.44 179.80 1tvi h GLU 22 N 0.07 0.00 0.07 1.13 5.08 -0.93 0.50 114.58 120.50 1tvi h GLU 22 Ca -0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1tvi h GLU 22 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.22 1tvi h GLU 22 CO 0.19 0.00 -0.03 0.93 -1.00 0.00 0.00 179.01 179.10 1tvi h GLU 23 N 0.00 -0.08 0.00 2.33 5.08 -1.46 -0.71 114.58 119.73 1tvi h GLU 23 Ca 0.03 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1tvi h GLU 23 Cb 0.58 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1tvi h GLU 23 CO -0.00 0.50 -0.38 -0.84 -1.00 0.00 0.00 179.01 177.28 1tvi h ILE 24 N -0.80 0.94 -0.23 3.13 3.07 -1.23 -0.49 117.51 121.90 1tvi h ILE 24 Ca -0.01 -1.50 -0.14 0.00 1.55 0.00 0.00 64.86 64.76 1tvi h ILE 24 Cb 0.62 1.90 -0.00 0.00 -0.27 0.00 0.00 36.82 39.07 1tvi h ILE 24 CO 0.01 0.37 -0.39 1.62 -1.05 0.00 0.00 178.15 178.71 1tvi h VAL 25 N 0.00 1.32 0.15 0.16 3.04 -0.10 -0.81 116.25 120.01 1tvi h VAL 25 Ca -0.00 -1.61 -0.01 0.00 -1.01 0.00 0.00 66.70 64.07 1tvi h VAL 25 Cb 0.87 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 1tvi h VAL 25 CO 0.05 0.50 -0.07 0.50 -1.01 0.00 0.00 177.57 177.54 1tvi h LYS 26 N 0.37 -0.19 -0.68 4.17 3.64 -0.92 -2.90 116.57 120.06 1tvi h LYS 26 Ca 0.02 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.54 1tvi h LYS 26 Cb 0.99 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.76 1tvi h LYS 26 CO 0.09 0.19 0.21 -0.22 -2.27 0.00 0.00 179.45 177.45 1tvi h LYS 27 N -0.64 0.34 -0.22 1.90 3.64 -1.14 -1.35 116.57 119.10 1tvi h LYS 27 Ca -0.02 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1tvi h LYS 27 Cb 0.48 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 1tvi h LYS 27 CO 0.03 0.22 -0.49 1.49 -2.27 0.00 0.00 179.45 178.43 1tvi h GLU 28 N 0.35 -0.44 0.00 1.90 4.22 -1.08 -3.43 114.58 116.09 1tvi h GLU 28 Ca 0.36 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.84 1tvi h GLU 28 Cb 0.55 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1tvi h GLU 28 CO -0.41 -0.29 0.00 1.51 -2.18 0.00 0.00 179.01 177.64 1tvi n ILE 29 N -5.11 0.00 0.00 2.32 3.06 -0.74 -5.06 119.36 113.83 1tvi n ILE 29 Ca -0.05 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.20 1tvi n ILE 29 Cb 0.33 -0.36 0.00 0.00 0.54 0.00 0.00 39.64 40.15 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 0.65 0.36 3.64 4.50 0.00 -0.59 -4.94 105.19 108.81 1tvi n GLY 30 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.87 0.17 1.61 -1.08 -1.25 -4.46 116.67 110.79 1tvi s ASP 31 Ca 0.00 1.40 0.06 0.00 -0.52 0.00 0.00 52.55 53.48 1tvi s ASP 31 Cb 0.00 1.36 -0.04 0.00 -1.46 0.00 0.00 42.92 42.77 1tvi s ASP 31 CO 0.00 -0.22 -0.12 -0.69 0.52 0.00 0.00 175.17 174.66 1tvi s VAL 32 N 1.56 1.40 -0.28 1.11 1.01 -1.26 -5.03 120.40 118.91 1tvi s VAL 32 Ca -0.10 -2.11 0.00 0.00 0.00 0.00 0.00 61.98 59.78 1tvi s VAL 32 Cb -0.05 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.47 1tvi s VAL 32 CO -0.19 -0.67 -0.04 -1.00 0.00 0.00 0.00 175.10 173.20 1tvi s HIS 33 N -3.14 3.26 -0.26 5.22 0.09 -1.26 -4.85 115.29 114.36 1tvi s HIS 33 Ca 0.19 -2.04 -0.02 0.00 -0.00 0.00 0.00 55.06 53.18 1tvi s HIS 33 Cb 0.01 -2.04 0.08 0.00 -0.00 0.00 0.00 32.58 30.63 1tvi s HIS 33 CO 0.03 -0.83 0.08 0.08 -0.00 0.00 0.00 174.74 174.10 1tvi s VAL 34 N 1.20 0.52 -0.56 -0.90 1.01 -1.26 -3.71 120.40 116.69 1tvi s VAL 34 Ca -0.07 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 1tvi s VAL 34 Cb -0.20 -1.25 0.13 0.00 0.00 0.00 0.00 36.38 35.07 1tvi s VAL 34 CO -0.03 -0.49 0.53 0.20 0.00 0.00 0.00 175.10 175.31 1tvi s ASN 35 N 1.82 6.23 -0.11 3.32 -0.87 -0.64 -1.22 114.94 123.47 1tvi s ASN 35 Ca 0.05 -1.84 -0.25 0.00 -1.57 0.00 0.00 52.86 49.25 1tvi s ASN 35 Cb -0.17 -2.21 -0.02 0.00 -0.02 0.00 0.00 41.25 38.82 1tvi s ASN 35 CO -0.20 -0.85 0.80 0.68 -2.57 0.00 0.00 177.10 174.95 1tvi s VAL 36 N 1.55 4.94 -0.46 1.60 -7.23 -0.43 -0.56 120.40 119.81 1tvi s VAL 36 Ca 0.04 1.61 -0.19 0.00 -1.81 0.00 0.00 61.98 61.64 1tvi s VAL 36 Cb -0.28 -4.12 0.04 0.00 0.56 0.00 0.00 36.38 32.57 1tvi s VAL 36 CO 0.02 0.13 0.57 -0.63 -0.31 0.00 0.00 175.10 174.88 1tvi s ILE 37 N 1.50 4.93 -0.44 -0.62 1.09 0.13 0.20 121.20 127.99 1tvi s ILE 37 Ca 0.40 -0.29 -0.26 0.00 -1.10 0.00 0.00 60.65 59.40 1tvi s ILE 37 Cb -0.18 -4.20 0.02 0.00 -1.06 0.00 0.00 42.46 37.05 1tvi s ILE 37 CO 0.17 -0.63 0.95 -0.76 -0.10 0.00 0.00 174.94 174.56 1tvi s LEU 38 N 2.53 3.96 -0.03 2.97 1.43 -0.52 -0.75 118.68 128.26 1tvi s LEU 38 Ca 0.16 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 1tvi s LEU 38 Cb -0.17 -3.26 0.02 0.00 0.03 0.00 0.00 46.19 42.81 1tvi s LEU 38 CO 0.14 -1.02 -0.02 0.68 0.23 0.00 0.00 176.35 176.37 1tvi s VAL 39 N 3.76 0.26 0.00 -1.59 -7.23 -0.68 -2.97 120.40 111.96 1tvi s VAL 39 Ca 0.39 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.56 1tvi s VAL 39 Cb -0.10 -0.32 0.00 0.00 0.56 0.00 0.00 36.38 36.52 1tvi s VAL 39 CO 0.25 0.15 0.00 -1.54 -0.31 0.00 0.00 175.10 173.65 1tvi n SER 40 N 3.90 -0.54 -0.03 4.85 3.41 -1.26 -3.76 113.62 120.19 1tvi n SER 40 Ca -0.24 -0.23 -0.13 0.00 -0.26 0.00 0.00 58.87 58.01 1tvi n SER 40 Cb 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.14 -0.19 4.33 4.81 -1.93 0.03 114.58 121.78 1tvi h GLU 41 Ca 0.00 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 58.99 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 0.62 -0.55 0.22 -0.73 0.00 0.00 179.01 178.57 1tvi h ASP 42 N -0.33 0.62 -0.73 1.04 1.82 -1.98 0.39 116.42 117.27 1tvi h ASP 42 Ca 0.01 -0.33 -0.06 0.00 -0.39 0.00 0.00 57.03 56.25 1tvi h ASP 42 Cb 0.60 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 40.40 1tvi h ASP 42 CO 0.02 1.05 0.22 -0.33 -1.61 0.00 0.00 179.24 178.59 1tvi h GLU 43 N 0.43 1.14 0.10 0.28 4.39 -1.88 -2.59 114.58 116.44 1tvi h GLU 43 Ca 0.01 -0.25 -0.26 0.00 0.34 0.00 0.00 59.36 59.20 1tvi h GLU 43 Cb 1.10 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1tvi h GLU 43 CO 0.10 0.97 -1.18 0.97 -1.16 0.00 0.00 179.01 178.72 1tvi h ILE 44 N 1.09 1.52 -0.61 3.13 2.10 -0.85 -1.59 117.51 122.30 1tvi h ILE 44 Ca 0.24 -3.06 0.13 0.00 1.08 0.00 0.00 64.86 63.24 1tvi h ILE 44 Cb 0.32 2.89 -0.11 0.00 -1.09 0.00 0.00 36.82 38.83 1tvi h ILE 44 CO -0.01 0.89 -0.03 0.50 -1.08 0.00 0.00 178.15 178.43 1tvi h LYS 45 N 0.07 0.09 0.02 2.19 3.11 0.12 0.57 116.57 122.75 1tvi h LYS 45 Ca -0.11 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.69 1tvi h LYS 45 Cb 1.90 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 33.12 1tvi h LYS 45 CO 0.19 0.06 -0.15 0.93 -2.81 0.00 0.00 179.45 177.67 1tvi h GLU 46 N 0.09 0.06 -0.94 1.90 5.08 -1.53 -3.27 114.58 115.96 1tvi h GLU 46 Ca 0.32 -0.10 0.28 0.00 -1.00 0.00 0.00 59.36 58.86 1tvi h GLU 46 Cb 0.51 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.65 1tvi h GLU 46 CO -0.55 1.02 0.39 1.25 -1.00 0.00 0.00 179.01 180.12 1tvi h LEU 47 N -0.85 0.22 -0.88 1.33 7.12 -0.76 1.81 115.31 123.30 1tvi h LEU 47 Ca -0.03 0.20 0.05 0.00 0.13 0.00 0.00 57.88 58.24 1tvi h LEU 47 Cb 1.09 0.22 -0.06 0.00 -0.53 0.00 0.00 40.66 41.39 1tvi h LEU 47 CO 0.03 -0.17 0.56 -1.13 -0.13 0.00 0.00 178.44 177.60 1tvi h ASN 48 N 0.24 0.91 1.38 1.25 -0.73 0.06 -0.77 115.58 117.92 1tvi h ASN 48 Ca 0.65 0.01 -0.12 0.00 1.87 0.00 0.00 56.30 58.70 1tvi h ASN 48 Cb 1.41 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.79 1tvi h ASN 48 CO -0.65 0.60 -0.59 -0.61 -0.37 0.00 0.00 177.43 175.81 1tvi h GLN 49 N 1.05 0.00 -0.11 6.67 4.15 0.36 1.12 115.11 128.35 1tvi h GLN 49 Ca 0.37 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.82 1tvi h GLN 49 Cb 0.10 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 1tvi h GLN 49 CO -0.15 0.59 0.17 1.96 -1.93 0.00 0.00 178.83 179.47 1tvi h GLN 50 N 0.00 0.00 0.00 1.69 4.20 0.31 0.45 115.11 121.76 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 1.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.22 1tvi h GLN 50 CO 0.08 0.00 -0.50 1.19 -0.67 0.00 0.00 178.83 178.93 1tvi n PHE 51 N -3.57 -0.11 0.30 2.96 3.72 -1.09 -4.77 117.46 114.91 1tvi n PHE 51 Ca 0.00 0.02 0.16 0.00 -0.05 0.00 0.00 57.45 57.58 1tvi n PHE 51 Cb 0.27 0.23 0.65 0.00 -0.94 0.00 0.00 39.48 39.70 1tvi n PHE 51 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1tvi h ARG 52 N 0.00 0.00 0.00 -1.08 9.65 0.12 -3.46 114.38 119.61 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 0.50 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1tvi h ARG 52 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.18 1tvi n GLY 53 N 0.03 0.36 3.59 2.80 0.00 0.15 -4.88 105.19 107.24 1tvi n GLY 53 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.79 2.56 -0.67 1.61 -0.21 -1.25 -4.84 119.66 116.07 1tvi s GLN 54 Ca 0.00 -0.72 -0.15 0.00 0.02 0.00 0.00 55.36 54.51 1tvi s GLN 54 Cb 0.00 -2.50 0.17 0.00 1.00 0.00 0.00 33.01 31.67 1tvi s GLN 54 CO 0.00 0.60 0.64 0.34 -2.12 0.00 0.00 175.29 174.75 1tvi s ASP 55 N -1.40 6.44 -0.29 5.90 -1.08 -1.26 -1.19 116.67 123.79 1tvi s ASP 55 Ca 0.17 -2.15 -0.16 0.00 -0.52 0.00 0.00 52.55 49.89 1tvi s ASP 55 Cb -0.11 -2.22 0.18 0.00 -1.46 0.00 0.00 42.92 39.31 1tvi s ASP 55 CO 0.07 -0.76 1.12 0.00 0.52 0.00 0.00 175.17 176.13 1tvi s ARG 56 N 1.09 0.20 0.90 4.34 1.04 -1.24 -5.07 118.95 120.21 1tvi s ARG 56 Ca 0.10 0.35 -0.12 0.00 -1.04 0.00 0.00 55.73 55.03 1tvi s ARG 56 Cb -0.21 0.04 0.13 0.00 -2.04 0.00 0.00 34.95 32.87 1tvi s ARG 56 CO -0.02 -0.04 1.13 -1.25 -0.04 0.00 0.00 175.30 175.08 1tvi s PRO 57 N 1.18 1.26 0.27 3.89 0.04 -1.26 -4.73 135.00 135.65 1tvi s PRO 57 Ca -0.09 0.33 -0.13 0.00 0.04 0.00 0.00 61.00 61.16 1tvi s PRO 57 Cb -0.03 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1tvi s PRO 57 CO -0.12 -2.12 0.53 -0.08 0.04 0.00 0.00 177.00 175.24 1tvi s THR 58 N -3.27 0.00 0.03 1.26 -1.32 -1.26 -5.04 115.64 106.04 1tvi s THR 58 Ca 0.63 -1.36 -0.24 0.00 -1.21 0.00 0.00 61.69 59.52 1tvi s THR 58 Cb -0.15 -2.27 -0.13 0.00 -1.51 0.00 0.00 72.50 68.44 1tvi s THR 58 CO 0.53 0.00 1.28 0.44 -2.21 0.00 0.00 174.62 174.66 1tvi h ASP 59 N 2.19 -0.74 -3.75 8.08 5.19 -1.94 -3.44 116.42 122.01 1tvi h ASP 59 Ca -0.26 0.03 -0.18 0.00 -0.62 0.00 0.00 57.03 56.00 1tvi h ASP 59 Cb 1.25 0.19 -0.26 0.00 0.18 0.00 0.00 39.33 40.69 1tvi h ASP 59 CO 0.35 -0.50 -0.46 0.54 -3.12 0.00 0.00 179.24 176.05 1tvi s VAL 60 N -4.76 -0.01 -0.19 -1.35 0.11 -1.26 -3.79 120.40 109.15 1tvi s VAL 60 Ca -0.13 0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.85 1tvi s VAL 60 Cb 0.01 -0.32 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 1tvi s VAL 60 CO 0.38 0.01 0.12 -0.76 -3.33 0.00 0.00 175.10 171.52 1tvi s LEU 61 N 0.27 4.15 0.08 2.54 1.02 0.12 -5.01 118.68 121.86 1tvi s LEU 61 Ca -0.01 0.22 0.06 0.00 0.02 0.00 0.00 54.13 54.42 1tvi s LEU 61 Cb -0.03 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 44.08 1tvi s LEU 61 CO -0.01 0.20 -0.10 -0.89 0.02 0.00 0.00 176.35 175.57 1tvi s THR 62 N 0.26 3.38 0.38 5.49 2.01 -1.26 -0.06 115.64 125.83 1tvi s THR 62 Ca 0.08 -1.16 -0.24 0.00 0.31 0.00 0.00 61.69 60.68 1tvi s THR 62 Cb -0.11 -2.54 -0.10 0.00 0.01 0.00 0.00 72.50 69.75 1tvi s THR 62 CO -0.01 0.19 0.97 0.12 -0.69 0.00 0.00 174.62 175.20 1tvi s PHE 63 N -1.15 3.45 -0.54 4.92 5.36 -1.24 -4.95 117.98 123.83 1tvi s PHE 63 Ca 0.20 1.69 -0.28 0.00 -0.96 0.00 0.00 56.93 57.58 1tvi s PHE 63 Cb -0.11 -2.95 0.01 0.00 -0.34 0.00 0.00 43.02 39.63 1tvi s PHE 63 CO 0.12 -0.11 1.49 -1.25 -1.46 0.00 0.00 175.22 174.01 1tvi s PRO 64 N -2.57 3.25 -0.30 10.12 0.04 -1.26 -4.84 135.00 139.44 1tvi s PRO 64 Ca 0.56 0.56 -0.14 0.00 0.04 0.00 0.00 61.00 62.02 1tvi s PRO 64 Cb -0.16 -4.15 0.18 0.00 0.04 0.00 0.00 34.50 30.41 1tvi s PRO 64 CO 0.21 -2.00 1.14 -0.48 0.04 0.00 0.00 177.00 175.91 1tvi s LEU 65 N 6.40 -0.16 -0.47 -3.56 2.34 -1.26 -5.12 118.68 116.85 1tvi s LEU 65 Ca 0.56 0.00 -0.11 0.00 0.06 0.00 0.00 54.13 54.65 1tvi s LEU 65 Cb -0.12 0.95 0.11 0.00 -0.56 0.00 0.00 46.19 46.57 1tvi s LEU 65 CO 0.25 -0.03 0.35 -0.32 -1.06 0.00 0.00 176.35 175.55 1tvi s MET 66 N 2.82 2.61 0.30 1.48 1.75 -1.26 -4.86 119.30 122.15 1tvi s MET 66 Ca 0.29 -1.66 -0.12 0.00 -1.25 0.00 0.00 55.69 52.95 1tvi s MET 66 Cb 0.01 -3.96 0.05 0.00 2.84 0.00 0.00 34.83 33.77 1tvi s MET 66 CO -0.21 -1.14 0.65 0.39 -0.65 0.00 0.00 175.02 174.06 1tvi n GLU 67 N 4.98 0.88 -1.11 4.11 1.02 -1.26 -5.03 120.64 124.22 1tvi n GLU 67 Ca -0.10 -1.73 -0.18 0.00 -0.02 0.00 0.00 57.16 55.13 1tvi n GLU 67 Cb 0.41 2.17 -0.13 0.00 -0.02 0.00 0.00 31.44 33.87 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 -0.44 2.36 0.00 3.49 1.02 -1.26 -4.53 120.64 121.27 1tvi n GLU 68 Ca -0.07 -1.36 0.00 0.00 -0.02 0.00 0.00 57.16 55.71 1tvi n GLU 68 Cb 0.48 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1tvi n GLU 68 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1tvi n ASP 69 N 2.50 0.00 -0.10 1.62 8.00 -1.26 -5.03 116.55 122.29 1tvi n ASP 69 Ca 0.50 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.83 1tvi n ASP 69 Cb 0.77 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.78 1tvi n ASP 69 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1tvi n VAL 70 N 0.00 1.50 -2.88 2.53 3.14 -1.26 -4.91 118.33 116.44 1tvi n VAL 70 Ca 0.00 0.04 -0.18 0.00 -2.96 0.00 0.00 64.34 61.24 1tvi n VAL 70 Cb 0.00 -2.15 -0.03 0.00 -1.06 0.00 0.00 33.84 30.59 1tvi n VAL 70 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1tvi n TYR 71 N -4.48 -0.98 0.00 1.45 4.11 -1.26 -4.77 117.16 111.23 1tvi n TYR 71 Ca -0.25 0.29 0.00 0.00 -0.00 0.00 0.00 57.90 57.94 1tvi n TYR 71 Cb 0.56 -1.02 0.00 0.00 -0.00 0.00 0.00 39.34 38.88 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 -0.67 2.87 3.26 -7.48 0.00 -1.24 -4.84 105.19 97.08 1tvi n GLY 72 Ca 0.05 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 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 4.42 1.05 -0.12 1.61 -1.05 -1.26 -1.63 118.70 121.73 1tvi s GLU 73 Ca 0.00 -1.16 -0.01 0.00 -0.15 0.00 0.00 54.97 53.65 1tvi s GLU 73 Cb 0.00 -1.15 0.03 0.00 -0.44 0.00 0.00 34.13 32.57 1tvi s GLU 73 CO 0.00 0.25 -0.04 0.96 0.95 0.00 0.00 175.26 177.38 1tvi s ILE 74 N -1.49 0.84 -0.12 1.83 -0.00 0.28 -3.67 121.20 118.87 1tvi s ILE 74 Ca 0.06 -0.28 -0.25 0.00 -0.00 0.00 0.00 60.65 60.19 1tvi s ILE 74 Cb -0.08 -0.97 -0.02 0.00 -0.00 0.00 0.00 42.46 41.38 1tvi s ILE 74 CO 0.04 0.25 0.78 -0.31 -0.00 0.00 0.00 174.94 175.69 1tvi s TYR 75 N 1.77 3.49 0.07 1.37 1.51 0.91 0.21 117.35 126.68 1tvi s TYR 75 Ca 0.04 1.26 0.06 0.00 -1.01 0.00 0.00 57.07 57.42 1tvi s TYR 75 Cb -0.13 -2.93 -0.03 0.00 -0.11 0.00 0.00 41.96 38.76 1tvi s TYR 75 CO -0.07 -0.10 -0.18 0.08 -1.11 0.00 0.00 175.55 174.18 1tvi s VAL 76 N 1.54 1.41 -0.26 0.71 1.01 0.07 0.15 120.40 125.03 1tvi s VAL 76 Ca 0.38 -1.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.04 1tvi s VAL 76 Cb -0.17 -1.29 0.08 0.00 0.00 0.00 0.00 36.38 35.00 1tvi s VAL 76 CO 0.16 -0.05 0.07 0.00 0.00 0.00 0.00 175.10 175.28 1tvi n PRO 78 N 4.98 0.27 0.03 0.00 -0.04 -1.26 -1.65 135.00 137.33 1tvi n PRO 78 Ca -0.06 0.08 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 1tvi n PRO 78 Cb 0.44 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.14 0.05 1.53 7.12 -1.89 -1.23 115.31 120.74 1tvi h LEU 79 Ca 0.00 -0.41 -0.28 0.00 0.13 0.00 0.00 57.88 57.32 1tvi h LEU 79 Cb 0.24 0.04 0.02 0.00 -0.53 0.00 0.00 40.66 40.43 1tvi h LEU 79 CO 0.00 0.45 -1.14 0.40 -0.13 0.00 0.00 178.44 178.01 1tvi h ILE 80 N -0.86 1.29 0.55 4.05 5.03 -1.86 -2.21 117.51 123.50 1tvi h ILE 80 Ca -0.02 -2.37 -0.02 0.00 -0.12 0.00 0.00 64.86 62.33 1tvi h ILE 80 Cb 0.54 2.54 -0.01 0.00 -3.03 0.00 0.00 36.82 36.86 1tvi h ILE 80 CO 0.03 0.73 -0.43 0.58 -0.68 0.00 0.00 178.15 178.37 1tvi h VAL 81 N 0.33 0.13 -0.51 1.67 2.07 -1.44 -0.79 116.25 117.72 1tvi h VAL 81 Ca -0.16 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.42 1tvi h VAL 81 Cb 1.81 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 1tvi h VAL 81 CO 0.22 0.00 0.21 1.05 0.02 0.00 0.00 177.57 179.07 1tvi h GLU 82 N -0.96 0.40 -0.79 1.57 4.11 -1.32 0.95 114.58 118.54 1tvi h GLU 82 Ca -0.06 -0.02 0.21 0.00 0.07 0.00 0.00 59.36 59.55 1tvi h GLU 82 Cb 0.81 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1tvi h GLU 82 CO 0.00 0.27 0.55 1.49 0.07 0.00 0.00 179.01 181.39 1tvi h GLU 83 N 0.42 0.13 0.00 1.06 4.57 -1.02 0.33 114.58 120.07 1tvi h GLU 83 Ca 0.24 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1tvi h GLU 83 Cb 0.22 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1tvi h GLU 83 CO -0.22 0.09 -0.01 -0.91 -1.18 0.00 0.00 179.01 176.78 1tvi h ASN 84 N 0.13 0.01 -0.36 1.04 -0.26 0.58 -3.18 115.58 113.54 1tvi h ASN 84 Ca 0.39 -0.95 0.10 0.00 -0.56 0.00 0.00 56.30 55.28 1tvi h ASN 84 Cb 1.32 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.57 1tvi h ASN 84 CO -0.06 0.95 0.33 0.00 -1.06 0.00 0.00 177.43 177.59 1tvi h ALA 85 N 0.05 2.13 -0.39 -0.83 0.00 0.60 0.19 119.26 121.01 1tvi h ALA 85 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1tvi h ALA 85 Cb 0.96 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1tvi h ALA 85 CO 0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 179.25 178.69 1tvi h ARG 86 N 0.00 0.73 0.00 0.00 3.08 -0.42 2.28 114.38 120.04 1tvi h ARG 86 Ca 0.17 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1tvi h ARG 86 Cb 0.82 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1tvi h ARG 86 CO -0.00 0.84 0.00 1.05 -1.07 0.00 0.00 179.97 180.79 1tvi h GLU 87 N 0.54 0.00 -0.15 0.04 4.11 -0.70 -2.99 114.58 115.44 1tvi h GLU 87 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1tvi h GLU 87 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1tvi h GLU 87 CO 0.03 0.00 0.00 0.34 0.07 0.00 0.00 179.01 179.45 1tvi n PHE 88 N -2.72 0.29 -2.28 2.06 7.35 -0.15 -4.95 117.46 117.05 1tvi n PHE 88 Ca 0.03 -0.64 -0.01 0.00 -0.76 0.00 0.00 57.45 56.07 1tvi n PHE 88 Cb 0.41 -0.10 -0.00 0.00 0.35 0.00 0.00 39.48 40.14 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 -0.35 -1.16 -4.83 -2.13 4.05 0.69 -4.84 115.26 106.69 1tvi n ASN 89 Ca 0.10 0.41 -0.33 0.00 0.45 0.00 0.00 54.58 55.20 1tvi n ASN 89 Cb 0.47 -1.17 -0.06 0.00 1.23 0.00 0.00 39.78 40.24 1tvi n ASN 89 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1tvi s ASN 90 N -1.87 6.87 -0.70 1.20 2.47 0.30 -4.95 114.94 118.25 1tvi s ASN 90 Ca 0.00 1.57 -0.26 0.00 0.42 0.00 0.00 52.86 54.59 1tvi s ASN 90 Cb 0.00 -2.49 -0.03 0.00 -1.45 0.00 0.00 41.25 37.28 1tvi s ASN 90 CO 0.00 -0.34 1.89 -0.89 -3.72 0.00 0.00 177.10 174.04 1tvi s THR 91 N -2.17 3.38 0.32 -5.21 2.01 -1.26 -4.57 115.64 108.15 1tvi s THR 91 Ca 0.60 0.02 0.09 0.00 0.31 0.00 0.00 61.69 62.72 1tvi s THR 91 Cb -0.09 -3.95 0.34 0.00 0.01 0.00 0.00 72.50 68.81 1tvi s THR 91 CO 0.16 -0.91 1.62 0.15 -0.69 0.00 0.00 174.62 174.95 1tvi h PHE 92 N 13.88 0.53 -0.88 4.92 3.57 -1.91 1.12 116.94 138.18 1tvi h PHE 92 Ca -0.15 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.47 1tvi h PHE 92 Cb 1.11 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.71 1tvi h PHE 92 CO 1.10 -0.30 0.54 1.05 -2.23 0.00 0.00 178.31 178.46 1tvi h GLU 93 N 0.15 0.92 -0.13 1.11 9.09 -1.91 0.21 114.58 124.01 1tvi h GLU 93 Ca 0.68 -0.06 -0.02 0.00 0.05 0.00 0.00 59.36 60.01 1tvi h GLU 93 Cb 1.54 -0.21 -0.01 0.00 -1.65 0.00 0.00 28.75 28.42 1tvi h GLU 93 CO -0.72 0.61 0.01 -0.22 0.05 0.00 0.00 179.01 178.74 1tvi h LYS 94 N 0.95 0.23 -0.82 1.06 1.63 0.86 1.13 116.57 121.61 1tvi h LYS 94 Ca 0.40 -0.07 0.07 0.00 -0.85 0.00 0.00 60.65 60.20 1tvi h LYS 94 Cb 0.25 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.80 1tvi h LYS 94 CO -0.20 0.44 0.53 1.49 -3.45 0.00 0.00 179.45 178.26 1tvi h GLU 95 N -0.01 0.84 0.00 1.90 4.81 -0.35 0.35 114.58 122.12 1tvi h GLU 95 Ca 0.04 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 1tvi h GLU 95 Cb 0.32 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1tvi h GLU 95 CO 0.00 0.56 -1.07 1.25 -0.73 0.00 0.00 179.01 179.02 1tvi h LEU 96 N 0.87 0.00 -0.66 1.64 7.12 -0.31 -3.20 115.31 120.77 1tvi h LEU 96 Ca 0.36 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 58.27 1tvi h LEU 96 Cb 0.28 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.39 1tvi h LEU 96 CO -0.13 0.99 -0.04 -0.07 -0.13 0.00 0.00 178.44 179.06 1tvi h LEU 97 N 0.00 0.99 0.47 2.25 4.07 0.31 -2.03 115.31 121.37 1tvi h LEU 97 Ca -0.04 -0.29 -0.02 0.00 0.08 0.00 0.00 57.88 57.61 1tvi h LEU 97 Cb 1.79 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 43.26 1tvi h LEU 97 CO 0.12 1.07 -0.28 -0.33 -1.08 0.00 0.00 178.44 177.94 1tvi h GLU 98 N 0.91 -0.69 -0.04 1.13 5.08 -0.43 0.36 114.58 120.91 1tvi h GLU 98 Ca 0.16 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1tvi h GLU 98 Cb 0.59 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1tvi h GLU 98 CO 0.04 -0.46 0.10 -0.39 -1.00 0.00 0.00 179.01 177.30 1tvi h VAL 99 N -0.71 0.19 0.12 3.13 -1.51 -1.54 2.44 116.25 118.37 1tvi h VAL 99 Ca -0.05 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.41 1tvi h VAL 99 Cb 0.58 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 1tvi h VAL 99 CO 0.06 0.00 -0.06 0.58 -1.23 0.00 0.00 177.57 176.92 1tvi h VAL 100 N 0.00 0.04 0.00 7.19 2.07 -0.38 -3.29 116.25 121.88 1tvi h VAL 100 Ca 0.02 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1tvi h VAL 100 Cb 0.22 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1tvi h VAL 100 CO -0.00 0.01 0.00 0.16 0.02 0.00 0.00 177.57 177.76 1tvi h ILE 101 N -1.04 0.00 -0.42 4.57 3.07 0.27 -3.04 117.51 120.92 1tvi h ILE 101 Ca -0.02 -0.36 0.07 0.00 1.55 0.00 0.00 64.86 66.11 1tvi h ILE 101 Cb 0.15 1.19 -0.06 0.00 -0.27 0.00 0.00 36.82 37.83 1tvi h ILE 101 CO 0.03 0.00 0.05 0.45 -1.05 0.00 0.00 178.15 177.62 1tvi h HIS 102 N 0.00 0.06 0.20 0.16 3.86 0.41 1.93 115.15 121.77 1tvi h HIS 102 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1tvi h HIS 102 Cb 0.46 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1tvi h HIS 102 CO 0.00 -0.03 -0.17 0.78 0.86 0.00 0.00 177.93 179.37 1tvi h GLY 103 N 0.16 -0.38 1.00 2.45 0.00 -1.63 -0.83 103.07 103.85 1tvi h GLY 103 Ca 0.21 0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.68 1tvi h GLY 103 CO -0.30 -0.17 0.22 -2.22 0.00 0.00 0.00 176.54 174.07 1tvi h ILE 104 N -0.38 1.23 -0.42 2.60 2.04 -1.54 -2.47 117.51 118.57 1tvi h ILE 104 Ca -0.01 -0.75 0.09 0.00 1.00 0.00 0.00 64.86 65.19 1tvi h ILE 104 Cb 0.35 0.62 -0.09 0.00 -0.74 0.00 0.00 36.82 36.95 1tvi h ILE 104 CO -0.02 0.29 -0.25 -0.07 0.00 0.00 0.00 178.15 178.09 1tvi h LEU 105 N 0.82 -0.86 -1.18 1.44 3.38 0.34 1.10 115.31 120.36 1tvi h LEU 105 Ca 0.19 0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.44 1tvi h LEU 105 Cb 0.23 0.43 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1tvi h LEU 105 CO -0.01 -0.27 0.58 0.45 0.09 0.00 0.00 178.44 179.28 1tvi h HIS 106 N -0.18 0.98 -0.27 1.13 3.86 -0.89 0.79 115.15 120.57 1tvi h HIS 106 Ca 0.19 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1tvi h HIS 106 Cb 0.49 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1tvi h HIS 106 CO -0.49 0.45 0.00 -0.11 0.86 0.00 0.00 177.93 178.64 1tvi n LEU 107 N -4.53 1.55 0.08 2.43 0.00 0.13 -3.08 117.00 113.58 1tvi n LEU 107 Ca 0.15 -0.76 -0.05 0.00 0.00 0.00 0.00 56.01 55.35 1tvi n LEU 107 Cb 0.31 -0.18 -0.03 0.00 0.00 0.00 0.00 43.42 43.52 1tvi n LEU 107 CO 0.31 0.38 0.25 0.00 0.00 0.00 0.00 177.39 178.33 1tvi h ALA 108 N 3.61 0.55 0.00 1.96 0.00 0.80 -3.46 119.26 122.71 1tvi h ALA 108 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1tvi h ALA 108 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1tvi h ALA 108 CO 0.00 1.09 0.00 0.41 0.00 0.00 0.00 179.25 180.75 1tvi n GLY 109 N 1.00 0.00 3.56 0.00 0.00 -1.24 -5.00 105.19 103.51 1tvi n GLY 109 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.35 0.05 1.61 -0.85 -1.18 -5.11 117.35 111.52 1tvi s TYR 110 Ca 0.00 0.68 -0.35 0.00 -0.52 0.00 0.00 57.07 56.87 1tvi s TYR 110 Cb 0.00 0.21 -0.15 0.00 0.38 0.00 0.00 41.96 42.40 1tvi s TYR 110 CO 0.00 -0.17 1.57 -0.25 -1.52 0.00 0.00 175.55 175.17 1tvi n ASP 111 N 3.75 2.61 -3.37 -0.18 9.92 -1.26 -4.43 116.55 123.59 1tvi n ASP 111 Ca -0.15 1.08 -0.38 0.00 -0.53 0.00 0.00 54.79 54.80 1tvi n ASP 111 Cb 0.56 -1.31 -0.03 0.00 -0.64 0.00 0.00 41.12 39.70 1tvi n ASP 111 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1tvi n HIS 112 N 3.83 -0.25 0.00 1.24 -0.00 -1.26 0.29 115.22 119.07 1tvi n HIS 112 Ca 0.19 0.75 0.00 0.00 -0.00 0.00 0.00 57.72 58.66 1tvi n HIS 112 Cb 0.24 -1.51 0.00 0.00 -0.00 0.00 0.00 29.99 28.72 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 0.82 0.00 0.00 1.57 2.13 -1.26 -4.77 120.64 119.12 1tvi n GLU 113 Ca 0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1tvi n GLU 113 Cb 0.17 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.88 1tvi n GLU 113 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1tvi n PHE 114 N 0.00 0.00 -3.58 4.31 7.35 0.14 -4.42 117.46 121.27 1tvi n PHE 114 Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 1tvi n PHE 114 Cb 0.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 1tvi n PHE 114 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1tvi s GLU 115 N 0.00 0.46 0.40 -4.13 2.12 -1.26 -5.02 118.70 111.26 1tvi s GLU 115 Ca 0.00 1.17 0.00 0.00 0.36 0.00 0.00 54.97 56.50 1tvi s GLU 115 Cb 0.00 0.52 0.00 0.00 0.26 0.00 0.00 34.13 34.91 1tvi s GLU 115 CO 0.00 -0.30 0.00 -3.47 -0.54 0.00 0.00 175.26 170.95 1tvi n ASP 116 N 5.42 -8.59 -0.22 -1.70 -0.08 -1.26 -3.94 116.55 106.18 1tvi n ASP 116 Ca -0.09 0.76 -0.01 0.00 -1.51 0.00 0.00 54.79 53.94 1tvi n ASP 116 Cb 0.49 -4.50 0.06 0.00 2.34 0.00 0.00 41.12 39.52 1tvi n ASP 116 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1tvi h LYS 117 N -1.36 -0.01 -1.39 -0.67 1.63 -2.01 -3.44 116.57 109.32 1tvi h LYS 117 Ca -0.02 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 59.91 1tvi h LYS 117 Cb 1.35 0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 32.72 1tvi h LYS 117 CO 0.03 -0.01 0.66 0.54 -3.45 0.00 0.00 179.45 177.22 1tvi s ASN 118 N -5.23 -0.27 0.04 4.20 4.22 -1.25 -4.86 114.94 111.80 1tvi s ASN 118 Ca -0.14 0.39 0.00 0.00 -2.14 0.00 0.00 52.86 50.96 1tvi s ASN 118 Cb 0.19 0.34 0.00 0.00 1.28 0.00 0.00 41.25 43.07 1tvi s ASN 118 CO 0.73 -0.19 0.00 -1.54 -2.04 0.00 0.00 177.10 174.07 1tvi n SER 119 N 1.14 2.05 -0.05 3.54 3.41 -1.26 -4.96 113.62 117.49 1tvi n SER 119 Ca -0.09 -1.18 -0.13 0.00 -0.26 0.00 0.00 58.87 57.21 1tvi n SER 119 Cb 0.57 0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 64.48 1tvi n SER 119 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1tvi h LYS 120 N 0.00 0.32 -0.30 4.33 1.57 -1.97 0.15 116.57 120.66 1tvi h LYS 120 Ca -0.03 -0.19 0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1tvi h LYS 120 Cb 0.11 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 1tvi h LYS 120 CO 0.06 0.76 0.02 1.49 -0.57 0.00 0.00 179.45 181.21 1tvi h GLU 121 N -0.09 0.11 0.02 3.15 4.22 -1.99 0.32 114.58 120.33 1tvi h GLU 121 Ca 0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.45 1tvi h GLU 121 Cb 0.72 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1tvi h GLU 121 CO 0.04 0.08 -0.01 0.52 -2.18 0.00 0.00 179.01 177.45 1tvi h MET 122 N 0.12 -0.03 -0.74 1.92 2.86 -1.95 -1.51 114.93 115.60 1tvi h MET 122 Ca 0.14 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 58.00 1tvi h MET 122 Cb 0.18 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1tvi h MET 122 CO -0.22 0.29 0.54 0.35 1.06 0.00 0.00 176.91 178.93 1tvi h PHE 123 N -0.35 0.00 0.13 -0.22 3.57 -0.41 0.60 116.94 120.26 1tvi h PHE 123 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1tvi h PHE 123 Cb 0.34 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1tvi h PHE 123 CO 0.03 0.00 -0.06 0.93 -2.23 0.00 0.00 178.31 176.98 1tvi h GLU 124 N 0.00 -0.17 -0.57 1.11 5.08 -0.66 -1.98 114.58 117.38 1tvi h GLU 124 Ca 0.35 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.89 1tvi h GLU 124 Cb 1.43 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1tvi h GLU 124 CO -0.00 -0.12 0.44 -0.22 -1.00 0.00 0.00 179.01 178.11 1tvi h LYS 125 N -0.93 0.00 -0.14 2.33 3.64 -0.71 0.43 116.57 121.19 1tvi h LYS 125 Ca -0.02 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.15 1tvi h LYS 125 Cb 0.14 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1tvi h LYS 125 CO 0.03 0.00 -0.75 0.37 -2.27 0.00 0.00 179.45 176.83 1tvi h GLN 126 N 0.00 0.69 0.00 1.90 4.15 0.13 -2.98 115.11 118.99 1tvi h GLN 126 Ca 0.27 -0.55 -0.06 0.00 0.77 0.00 0.00 58.65 59.08 1tvi h GLN 126 Cb 1.14 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 1tvi h GLN 126 CO -0.00 1.17 -0.31 0.87 -1.93 0.00 0.00 178.83 178.63 1tvi h LYS 127 N 0.48 0.00 0.17 1.69 1.57 0.48 -2.00 116.57 118.95 1tvi h LYS 127 Ca -0.04 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1tvi h LYS 127 Cb 1.36 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.63 1tvi h LYS 127 CO 0.15 0.31 -0.39 -0.22 -0.57 0.00 0.00 179.45 178.72 1tvi h LYS 128 N 0.00 -0.63 -0.11 3.15 3.64 -0.42 1.46 116.57 123.65 1tvi h LYS 128 Ca -0.00 0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 1tvi h LYS 128 Cb 0.92 0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1tvi h LYS 128 CO 0.04 -0.42 -0.45 1.88 -2.27 0.00 0.00 179.45 178.22 1tvi h TYR 129 N -0.66 0.68 -0.11 1.91 0.05 -1.60 -2.56 116.97 114.67 1tvi h TYR 129 Ca 0.01 -0.29 0.04 0.00 0.05 0.00 0.00 58.73 58.55 1tvi h TYR 129 Cb 0.67 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 38.26 1tvi h TYR 129 CO -0.32 1.05 -0.14 0.28 -1.05 0.00 0.00 178.16 177.98 1tvi h VAL 130 N 0.11 0.63 0.00 -2.88 2.07 -1.16 1.66 116.25 116.68 1tvi h VAL 130 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1tvi h VAL 130 Cb 1.09 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1tvi h VAL 130 CO 0.09 0.00 -0.02 -0.33 0.02 0.00 0.00 177.57 177.34 1tvi h GLU 131 N -0.17 0.00 0.00 1.57 4.39 0.20 1.65 114.58 122.22 1tvi h GLU 131 Ca 0.08 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 1tvi h GLU 131 Cb 0.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1tvi h GLU 131 CO -0.21 0.02 -0.27 0.93 -1.16 0.00 0.00 179.01 178.31 1tvi h GLU 132 N 0.00 0.00 -0.02 2.33 5.08 -0.36 -2.47 114.58 119.13 1tvi h GLU 132 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1tvi h GLU 132 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1tvi h GLU 132 CO 0.00 0.70 0.00 0.28 -1.00 0.00 0.00 179.01 179.00 1tvi h VAL 133 N -1.00 1.24 0.00 3.13 2.07 0.26 -1.63 116.25 120.33 1tvi h VAL 133 Ca -0.06 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1tvi h VAL 133 Cb 0.80 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1tvi h VAL 133 CO -0.04 0.19 0.00 1.87 0.02 0.00 0.00 177.57 179.62 1tvi n TRP 134 N -4.91 0.52 -0.26 1.57 -0.00 0.56 -2.33 117.44 112.59 1tvi n TRP 134 Ca -0.07 0.23 0.29 0.00 -0.00 0.00 0.00 57.50 57.95 1tvi n TRP 134 Cb 0.17 -0.87 0.67 0.00 -0.00 0.00 0.00 31.31 31.28 1tvi n TRP 134 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1tvi h GLY 135 N 1.29 0.31 0.00 5.87 0.00 -0.79 1.77 103.07 111.51 1tvi h GLY 135 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 1tvi h GLY 135 CO 0.00 -0.03 -0.63 -2.09 0.00 0.00 0.00 176.54 173.79 1tvi h GLU 136 N 0.11 0.00 -0.02 4.80 4.81 -1.61 -3.33 114.58 119.33 1tvi h GLU 136 Ca 0.51 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.74 1tvi h GLU 136 Cb 1.81 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.19 1tvi h GLU 136 CO -0.08 0.39 0.18 -1.49 -0.73 0.00 0.00 179.01 177.29 1tvi h TRP 137 N -1.00 0.00 -0.77 0.92 4.06 -1.53 0.94 115.95 118.57 1tvi h TRP 137 Ca -0.11 0.00 0.22 0.00 2.06 0.00 0.00 58.89 61.06 1tvi h TRP 137 Cb 0.72 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.85 1tvi h TRP 137 CO -0.05 0.00 0.55 0.00 -3.56 0.00 0.00 178.44 175.38 1tvi h ARG 138 N 0.00 0.05 0.00 0.49 2.47 0.26 1.59 114.38 119.24 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 0.38 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1tvi h ARG 138 CO -0.00 0.03 0.00 0.43 0.56 0.00 0.00 179.97 180.99 1tvi n SER 139 N -4.33 0.71 -3.19 7.04 7.64 0.33 -3.70 113.62 118.12 1tvi n SER 139 Ca 0.16 0.62 -0.22 0.00 1.01 0.00 0.00 58.87 60.44 1tvi n SER 139 Cb 0.81 -0.79 -0.05 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.23 0.86 0.00 6.43 0.23 0.54 -4.48 115.26 116.61 1tvi n ASN 140 Ca 0.04 -2.91 0.00 0.00 -0.53 0.00 0.00 54.58 51.18 1tvi n ASN 140 Cb 0.32 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.39 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 0.87 0.00 -0.29 -0.53 -0.04 -0.96 -4.14 135.00 129.91 1tvi n PRO 141 Ca 0.24 0.02 0.03 0.00 -0.04 0.00 0.00 63.50 63.75 1tvi n PRO 141 Cb 0.56 -0.65 0.09 0.00 -0.04 0.00 0.00 33.50 33.46 1tvi n PRO 141 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1tvi n SER 142 N -0.57 -0.36 0.00 3.54 3.41 -1.26 -4.76 113.62 113.61 1tvi n SER 142 Ca 0.00 1.38 0.00 0.00 -0.26 0.00 0.00 58.87 59.99 1tvi n SER 142 Cb 0.00 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1tvi n SER 142 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1tvi n GLU 143 N -5.26 0.00 -1.95 4.33 2.13 -1.26 -5.04 120.64 113.59 1tvi n GLU 143 Ca 0.11 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.55 1tvi n GLU 143 Cb 0.37 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.05 1tvi n GLU 143 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1tvi s ASP 144 N 0.00 5.21 0.22 4.31 2.15 -1.26 -4.02 116.67 123.28 1tvi s ASP 144 Ca 0.00 0.59 0.00 0.00 0.43 0.00 0.00 52.55 53.57 1tvi s ASP 144 Cb 0.00 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1tvi s ASP 144 CO 0.00 -2.37 0.00 -0.24 -0.17 0.00 0.00 175.17 172.39 1tvi n SER 145 N 12.95 -2.00 -4.76 -0.34 2.88 -1.26 -5.12 113.62 115.97 1tvi n SER 145 Ca 0.23 0.57 -0.41 0.00 -1.33 0.00 0.00 58.87 57.93 1tvi n SER 145 Cb 0.52 2.06 -0.02 0.00 -0.75 0.00 0.00 64.21 66.03 1tvi n SER 145 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1tvi s ASP 146 N -2.00 6.53 -0.03 -3.46 -0.00 -1.26 -4.93 116.67 111.52 1tvi s ASP 146 Ca 0.00 2.84 -0.23 0.00 -0.00 0.00 0.00 52.55 55.16 1tvi s ASP 146 Cb 0.00 -2.64 -0.22 0.00 -0.00 0.00 0.00 42.92 40.05 1tvi s ASP 146 CO 0.00 -0.76 1.08 1.55 -0.00 0.00 0.00 175.17 177.04 1tvi h PRO 147 N 4.13 0.22 0.00 8.23 0.13 -1.97 -3.43 132.00 139.31 1tvi h PRO 147 Ca -0.48 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1tvi h PRO 147 Cb 1.23 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1tvi h PRO 147 CO 0.72 0.92 0.00 0.41 -0.23 0.00 0.00 178.00 179.82 1tvi n GLY 148 N 0.94 -0.30 3.15 1.56 0.00 -1.26 -4.95 105.19 104.33 1tvi n GLY 148 Ca -0.09 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 2.33 0.00 1.61 2.36 -1.26 -5.14 119.74 119.64 1tvi s LYS 149 Ca 0.00 -1.35 0.00 0.00 -2.55 0.00 0.00 55.97 52.07 1tvi s LYS 149 Cb 0.00 -3.18 0.00 0.00 -1.05 0.00 0.00 37.83 33.60 1tvi s LYS 149 CO 0.00 -0.67 0.00 0.54 1.55 0.00 0.00 175.35 176.77