#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 1.11 -0.28 1.12 1.09 -1.26 -4.63 121.20 118.35 1tvi s ILE 2 Ca 0.00 -0.63 -0.16 0.00 -1.10 0.00 0.00 60.65 58.76 1tvi s ILE 2 Cb 0.00 -0.93 -0.03 0.00 -1.06 0.00 0.00 42.46 40.44 1tvi s ILE 2 CO 0.00 0.29 0.42 -0.60 -0.10 0.00 0.00 174.94 174.96 1tvi s ARG 3 N -0.38 3.97 -0.37 2.79 3.52 -1.13 -5.03 118.95 122.32 1tvi s ARG 3 Ca 0.05 0.07 -0.05 0.00 -0.13 0.00 0.00 55.73 55.67 1tvi s ARG 3 Cb -0.06 -3.68 0.07 0.00 -1.56 0.00 0.00 34.95 29.73 1tvi s ARG 3 CO -0.00 -0.34 0.15 0.42 -0.81 0.00 0.00 175.30 174.71 1tvi s ILE 4 N 2.16 3.56 0.33 4.11 1.01 -1.26 -1.12 121.20 129.98 1tvi s ILE 4 Ca 0.17 -1.53 0.10 0.00 0.00 0.00 0.00 60.65 59.39 1tvi s ILE 4 Cb -0.16 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.07 1tvi s ILE 4 CO 0.10 -0.39 -0.12 -1.48 0.00 0.00 0.00 174.94 173.05 1tvi s LEU 5 N 1.30 2.69 0.00 2.97 2.34 0.15 -4.98 118.68 123.15 1tvi s LEU 5 Ca 0.02 -1.16 0.00 0.00 0.06 0.00 0.00 54.13 53.04 1tvi s LEU 5 Cb -0.21 -1.00 0.00 0.00 -0.56 0.00 0.00 46.19 44.41 1tvi s LEU 5 CO -0.00 -0.16 0.00 0.61 -1.06 0.00 0.00 176.35 175.74 1tvi n GLY 6 N -0.75 -0.61 3.48 -3.48 0.00 -1.26 -1.38 105.19 101.19 1tvi n GLY 6 Ca -0.05 -1.51 -0.16 0.00 0.00 0.00 0.00 46.02 44.30 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 0.89 0.00 1.61 -1.05 0.24 -4.76 118.70 115.63 1tvi s GLU 7 Ca 0.00 0.39 0.00 0.00 -0.15 0.00 0.00 54.97 55.21 1tvi s GLU 7 Cb 0.00 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 1tvi s GLU 7 CO 0.00 -0.23 0.00 0.41 0.95 0.00 0.00 175.26 176.39 1tvi n GLY 8 N 1.56 4.51 3.34 -3.83 0.00 -1.26 -2.62 105.19 106.88 1tvi n GLY 8 Ca -0.18 -0.70 -0.54 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.10 0.07 0.00 1.61 4.81 -1.26 -2.87 118.16 119.41 1tvi n LYS 9 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1tvi n LYS 9 Cb 0.00 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 33.48 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 7.14 0.37 0.29 3.14 0.00 -1.26 -4.71 105.19 110.16 1tvi n GLY 10 Ca 0.57 0.00 -0.13 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 0.03 -0.72 -0.37 1.61 0.87 -1.95 0.25 113.55 113.27 1tvi h SER 11 Ca 0.00 0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.55 1tvi h SER 11 Cb 0.00 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1tvi h SER 11 CO 0.00 -0.35 -0.11 0.07 -0.53 0.00 0.00 176.83 175.91 1tvi h LYS 12 N -0.47 0.72 -0.60 2.24 2.10 -1.95 -1.84 116.57 116.78 1tvi h LYS 12 Ca 0.02 -0.29 0.17 0.00 -2.00 0.00 0.00 60.65 58.56 1tvi h LYS 12 Cb 0.49 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.76 1tvi h LYS 12 CO -0.13 0.89 0.45 1.25 -2.00 0.00 0.00 179.45 179.90 1tvi h LEU 13 N 0.52 0.00 0.00 7.07 5.85 -1.85 0.04 115.31 126.94 1tvi h LEU 13 Ca 0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1tvi h LEU 13 Cb 0.63 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1tvi h LEU 13 CO 0.04 0.00 -0.05 0.25 -0.34 0.00 0.00 178.44 178.35 1tvi h LEU 14 N 0.00 0.03 -1.74 2.25 7.12 0.03 -3.15 115.31 119.85 1tvi h LEU 14 Ca 0.28 -0.86 0.02 0.00 0.13 0.00 0.00 57.88 57.45 1tvi h LEU 14 Cb 1.17 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 41.29 1tvi h LEU 14 CO -0.00 0.89 0.44 -0.33 -0.13 0.00 0.00 178.44 179.31 1tvi h GLU 15 N -0.82 0.00 0.03 1.25 5.08 -0.21 0.97 114.58 120.87 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 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1tvi h GLU 15 CO 0.01 0.00 -0.01 -0.91 -1.00 0.00 0.00 179.01 177.10 1tvi h ASN 16 N 0.00 -0.03 -0.96 1.42 2.35 -1.26 -3.31 115.58 113.79 1tvi h ASN 16 Ca 0.03 -0.63 -0.61 0.00 -0.55 0.00 0.00 56.30 54.54 1tvi h ASN 16 Cb 0.91 0.01 -0.37 0.00 0.05 0.00 0.00 38.32 38.91 1tvi h ASN 16 CO -0.00 0.64 -0.11 0.00 -1.65 0.00 0.00 177.43 176.31 1tvi n LEU 17 N -4.78 6.04 0.08 1.61 -0.00 0.80 -4.63 117.00 116.13 1tvi n LEU 17 Ca -0.09 -4.62 -0.22 0.00 -0.00 0.00 0.00 56.01 51.08 1tvi n LEU 17 Cb 0.33 -0.61 -0.13 0.00 -0.00 0.00 0.00 43.42 43.00 1tvi n LEU 17 CO 0.32 1.87 -0.04 0.50 -0.00 0.00 0.00 177.39 180.04 1tvi h LYS 18 N 2.18 0.62 0.00 1.47 3.64 0.67 -3.19 116.57 121.97 1tvi h LYS 18 Ca 0.46 -0.81 -0.04 0.00 -1.27 0.00 0.00 60.65 58.99 1tvi h LYS 18 Cb 1.16 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 33.24 1tvi h LYS 18 CO 1.10 1.36 -0.21 1.05 -2.27 0.00 0.00 179.45 180.48 1tvi h GLU 19 N 0.25 0.00 -0.37 1.90 4.11 -1.84 -2.94 114.58 115.70 1tvi h GLU 19 Ca -0.18 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.19 1tvi h GLU 19 Cb 1.87 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.10 1tvi h GLU 19 CO 0.23 0.21 -0.03 -0.22 0.07 0.00 0.00 179.01 179.27 1tvi h LYS 20 N 0.00 0.60 0.00 1.06 3.11 -1.86 -1.88 116.57 117.59 1tvi h LYS 20 Ca -0.00 -0.15 -0.16 0.00 -2.81 0.00 0.00 60.65 57.54 1tvi h LYS 20 Cb 1.01 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.14 1tvi h LYS 20 CO 0.03 0.64 -0.74 -0.07 -2.81 0.00 0.00 179.45 176.49 1tvi h LEU 21 N 0.56 0.00 -2.63 5.20 3.38 -1.52 -3.10 115.31 117.21 1tvi h LEU 21 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1tvi h LEU 21 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1tvi h LEU 21 CO 0.02 0.74 0.00 -0.33 0.09 0.00 0.00 178.44 178.96 1tvi h GLU 22 N 0.00 0.00 0.01 1.13 5.08 -1.16 -1.80 114.58 117.84 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 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 1tvi h GLU 22 CO 0.10 0.00 -0.00 0.93 -1.00 0.00 0.00 179.01 179.03 1tvi h GLU 23 N 0.00 -0.01 -0.41 2.33 5.08 -1.45 -2.74 114.58 117.38 1tvi h GLU 23 Ca 0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1tvi h GLU 23 Cb 0.01 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.18 1tvi h GLU 23 CO 0.00 0.46 -0.12 -0.84 -1.00 0.00 0.00 179.01 177.50 1tvi h ILE 24 N -1.00 0.55 -0.85 3.13 3.07 -1.54 0.34 117.51 121.22 1tvi h ILE 24 Ca -0.00 0.00 0.08 0.00 1.55 0.00 0.00 64.86 66.49 1tvi h ILE 24 Cb 0.47 0.55 -0.06 0.00 -0.27 0.00 0.00 36.82 37.52 1tvi h ILE 24 CO 0.00 0.00 0.55 -0.37 -1.05 0.00 0.00 178.15 177.29 1tvi h VAL 25 N -0.03 1.01 -0.00 0.16 -1.51 -1.48 -0.69 116.25 113.71 1tvi h VAL 25 Ca 0.20 -0.30 -0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1tvi h VAL 25 Cb 0.33 0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 29.53 1tvi h VAL 25 CO -0.44 0.16 0.00 0.50 -1.23 0.00 0.00 177.57 176.57 1tvi h LYS 26 N 0.89 0.00 -0.73 5.19 3.64 -0.17 1.66 116.57 127.06 1tvi h LYS 26 Ca 0.38 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.88 1tvi h LYS 26 Cb 0.32 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.05 1tvi h LYS 26 CO -0.15 0.14 0.32 -0.22 -2.27 0.00 0.00 179.45 177.27 1tvi h LYS 27 N -0.14 0.50 0.51 1.90 3.64 0.49 -2.78 116.57 120.69 1tvi h LYS 27 Ca 0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1tvi h LYS 27 Cb 0.14 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1tvi h LYS 27 CO -0.00 0.33 -0.25 1.49 -2.27 0.00 0.00 179.45 178.75 1tvi h GLU 28 N 0.51 -0.67 0.00 1.90 4.22 -0.79 -3.47 114.58 116.28 1tvi h GLU 28 Ca 0.38 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.87 1tvi h GLU 28 Cb 0.50 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1tvi h GLU 28 CO -0.34 -0.44 0.00 1.51 -2.18 0.00 0.00 179.01 177.56 1tvi n ILE 29 N -4.85 0.00 0.00 2.32 3.06 0.23 -5.04 119.36 115.08 1tvi n ILE 29 Ca -0.09 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.16 1tvi n ILE 29 Cb 0.27 -0.22 0.00 0.00 0.54 0.00 0.00 39.64 40.23 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 -0.19 3.05 3.12 4.50 0.00 0.50 -4.69 105.19 111.49 1tvi n GLY 30 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1tvi n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tvi n ASP 31 N 0.00 5.39 -3.97 1.61 9.92 -1.26 -4.80 116.55 123.43 1tvi n ASP 31 Ca 0.00 -3.20 -0.16 0.00 -0.53 0.00 0.00 54.79 50.89 1tvi n ASP 31 Cb 0.00 -1.23 -0.09 0.00 -0.64 0.00 0.00 41.12 39.16 1tvi n ASP 31 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1tvi s VAL 32 N -1.85 0.18 -0.27 2.53 0.11 -1.26 -5.15 120.40 114.69 1tvi s VAL 32 Ca 0.31 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 57.35 1tvi s VAL 32 Cb -0.03 -2.52 0.15 0.00 -1.53 0.00 0.00 36.38 32.45 1tvi s VAL 32 CO -0.03 0.00 0.44 -1.00 -3.33 0.00 0.00 175.10 171.18 1tvi s HIS 33 N -3.78 -1.07 -0.37 1.54 3.76 -1.26 -4.96 115.29 109.16 1tvi s HIS 33 Ca 0.38 0.91 -0.05 0.00 -0.15 0.00 0.00 55.06 56.15 1tvi s HIS 33 Cb 0.05 0.10 0.07 0.00 1.11 0.00 0.00 32.58 33.92 1tvi s HIS 33 CO 0.17 -0.82 0.16 0.08 -0.85 0.00 0.00 174.74 173.48 1tvi s VAL 34 N 2.62 3.60 -0.32 -0.90 1.01 -1.26 -3.83 120.40 121.33 1tvi s VAL 34 Ca 0.14 -1.54 -0.19 0.00 0.00 0.00 0.00 61.98 60.38 1tvi s VAL 34 Cb -0.14 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1tvi s VAL 34 CO -0.20 -0.41 0.58 0.20 0.00 0.00 0.00 175.10 175.27 1tvi s ASN 35 N 1.71 6.43 -0.15 3.32 -0.87 -0.70 -2.84 114.94 121.84 1tvi s ASN 35 Ca 0.02 0.29 -0.07 0.00 -1.57 0.00 0.00 52.86 51.52 1tvi s ASN 35 Cb -0.22 -2.31 -0.04 0.00 -0.02 0.00 0.00 41.25 38.67 1tvi s ASN 35 CO -0.00 -0.47 0.11 0.68 -2.57 0.00 0.00 177.10 174.85 1tvi s VAL 36 N 2.53 5.22 -0.34 1.60 -7.23 -0.28 0.97 120.40 122.87 1tvi s VAL 36 Ca 0.23 0.11 -0.03 0.00 -1.81 0.00 0.00 61.98 60.47 1tvi s VAL 36 Cb -0.15 -3.31 0.06 0.00 0.56 0.00 0.00 36.38 33.54 1tvi s VAL 36 CO 0.12 0.54 0.09 -0.63 -0.31 0.00 0.00 175.10 174.91 1tvi s ILE 37 N -0.38 3.31 -0.22 -0.62 1.09 0.25 -0.67 121.20 123.96 1tvi s ILE 37 Ca 0.11 -1.50 -0.29 0.00 -1.10 0.00 0.00 60.65 57.87 1tvi s ILE 37 Cb -0.12 -3.00 0.01 0.00 -1.06 0.00 0.00 42.46 38.29 1tvi s ILE 37 CO 0.01 -0.30 1.03 -0.76 -0.10 0.00 0.00 174.94 174.83 1tvi s LEU 38 N 1.27 4.11 -0.05 2.97 1.43 -0.48 -0.81 118.68 127.12 1tvi s LEU 38 Ca -0.00 1.37 -0.05 0.00 -1.03 0.00 0.00 54.13 54.42 1tvi s LEU 38 Cb -0.21 -3.52 0.01 0.00 0.03 0.00 0.00 46.19 42.50 1tvi s LEU 38 CO -0.01 -0.65 0.14 0.68 0.23 0.00 0.00 176.35 176.74 1tvi s VAL 39 N 3.10 -0.00 0.00 -1.59 -7.23 -0.72 0.79 120.40 114.75 1tvi s VAL 39 Ca 0.44 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.61 1tvi s VAL 39 Cb -0.15 -0.20 0.00 0.00 0.56 0.00 0.00 36.38 36.59 1tvi s VAL 39 CO 0.07 0.00 0.00 -1.54 -0.31 0.00 0.00 175.10 173.32 1tvi n SER 40 N 3.02 -0.54 0.01 4.85 3.41 -1.26 -4.04 113.62 119.07 1tvi n SER 40 Ca -0.13 -0.48 -0.18 0.00 -0.26 0.00 0.00 58.87 57.82 1tvi n SER 40 Cb 0.59 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.66 0.00 4.33 4.81 -1.95 0.42 114.58 122.85 1tvi h GLU 41 Ca 0.00 -0.63 -0.14 0.00 -0.13 0.00 0.00 59.36 58.47 1tvi h GLU 41 Cb 0.00 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1tvi h GLU 41 CO 0.00 1.23 -0.65 -0.44 -0.73 0.00 0.00 179.01 178.43 1tvi h ASP 42 N 0.32 0.00 0.29 1.04 5.19 -1.98 0.20 116.42 121.47 1tvi h ASP 42 Ca -0.08 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 55.99 1tvi h ASP 42 Cb 1.47 0.00 0.03 0.00 0.18 0.00 0.00 39.33 41.01 1tvi h ASP 42 CO 0.16 0.65 -1.49 -0.33 -3.12 0.00 0.00 179.24 175.10 1tvi h GLU 43 N 0.00 0.51 -0.04 3.56 4.39 -1.89 -3.07 114.58 118.04 1tvi h GLU 43 Ca -0.01 -0.87 -0.03 0.00 0.34 0.00 0.00 59.36 58.79 1tvi h GLU 43 Cb 1.22 0.32 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 1tvi h GLU 43 CO 0.08 1.42 -0.11 0.97 -1.16 0.00 0.00 179.01 180.21 1tvi h ILE 44 N 0.14 1.45 -0.68 3.13 2.10 -0.12 0.46 117.51 123.98 1tvi h ILE 44 Ca -0.26 -1.49 0.15 0.00 1.08 0.00 0.00 64.86 64.34 1tvi h ILE 44 Cb 2.15 2.34 -0.12 0.00 -1.09 0.00 0.00 36.82 40.10 1tvi h ILE 44 CO 0.26 0.41 -0.01 0.07 -1.08 0.00 0.00 178.15 177.80 1tvi h LYS 45 N -0.40 0.10 0.01 2.19 2.10 -0.73 1.12 116.57 120.95 1tvi h LYS 45 Ca -0.00 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1tvi h LYS 45 Cb 0.72 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 1tvi h LYS 45 CO 0.02 0.07 -0.00 0.93 -2.00 0.00 0.00 179.45 178.47 1tvi h GLU 46 N 0.11 -0.01 -0.86 0.07 5.08 -1.53 -3.23 114.58 114.21 1tvi h GLU 46 Ca 0.36 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.92 1tvi h GLU 46 Cb 0.60 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.73 1tvi h GLU 46 CO -0.59 0.68 0.36 1.25 -1.00 0.00 0.00 179.01 179.71 1tvi h LEU 47 N -0.70 0.31 -1.04 1.33 7.12 0.87 0.88 115.31 124.08 1tvi h LEU 47 Ca -0.00 0.14 0.18 0.00 0.13 0.00 0.00 57.88 58.33 1tvi h LEU 47 Cb 0.69 0.13 -0.10 0.00 -0.53 0.00 0.00 40.66 40.84 1tvi h LEU 47 CO 0.00 0.03 0.62 -1.13 -0.13 0.00 0.00 178.44 177.83 1tvi h ASN 48 N 0.41 0.79 1.33 1.25 -0.73 0.12 0.40 115.58 119.16 1tvi h ASN 48 Ca 0.52 0.08 -0.11 0.00 1.87 0.00 0.00 56.30 58.66 1tvi h ASN 48 Cb 0.94 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.45 1tvi h ASN 48 CO -0.50 0.31 -0.69 -0.61 -0.37 0.00 0.00 177.43 175.57 1tvi h GLN 49 N 0.79 0.00 -0.00 6.67 4.15 0.19 0.82 115.11 127.73 1tvi h GLN 49 Ca 0.56 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.98 1tvi h GLN 49 Cb 0.84 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.53 1tvi h GLN 49 CO -0.35 0.42 0.01 1.96 -1.93 0.00 0.00 178.83 178.95 1tvi h GLN 50 N 0.00 0.00 0.00 1.69 4.20 0.43 -0.32 115.11 121.11 1tvi h GLN 50 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1tvi h GLN 50 Cb 1.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.18 1tvi h GLN 50 CO 0.06 0.00 -0.44 1.19 -0.67 0.00 0.00 178.83 178.97 1tvi n PHE 51 N -3.38 -0.24 0.21 2.96 3.72 -0.93 -4.79 117.46 115.01 1tvi n PHE 51 Ca -0.03 0.04 0.07 0.00 -0.05 0.00 0.00 57.45 57.49 1tvi n PHE 51 Cb 0.08 0.23 0.42 0.00 -0.94 0.00 0.00 39.48 39.28 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 0.54 -3.46 114.38 120.03 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 0.44 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1tvi h ARG 52 CO 0.00 0.30 0.00 0.41 2.80 0.00 0.00 179.97 183.48 1tvi n GLY 53 N 0.06 2.23 3.85 2.80 0.00 -0.13 -4.90 105.19 109.10 1tvi n GLY 53 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.10 3.74 -0.68 1.61 -0.21 -1.25 -4.77 119.66 118.00 1tvi s GLN 54 Ca 0.00 0.20 -0.16 0.00 0.02 0.00 0.00 55.36 55.43 1tvi s GLN 54 Cb 0.00 -3.19 0.16 0.00 1.00 0.00 0.00 33.01 30.98 1tvi s GLN 54 CO 0.00 0.71 0.65 0.34 -2.12 0.00 0.00 175.29 174.87 1tvi s ASP 55 N -1.13 6.44 -0.30 5.90 2.15 -1.26 -1.25 116.67 127.22 1tvi s ASP 55 Ca 0.22 -2.14 -0.17 0.00 0.43 0.00 0.00 52.55 50.89 1tvi s ASP 55 Cb -0.15 -2.23 0.18 0.00 -0.30 0.00 0.00 42.92 40.42 1tvi s ASP 55 CO 0.11 -0.77 1.12 0.00 -0.17 0.00 0.00 175.17 175.46 1tvi s ARG 56 N 1.15 0.19 0.94 4.34 1.04 -1.22 -5.06 118.95 120.33 1tvi s ARG 56 Ca 0.11 0.42 -0.13 0.00 -1.04 0.00 0.00 55.73 55.09 1tvi s ARG 56 Cb -0.20 0.21 0.16 0.00 -2.04 0.00 0.00 34.95 33.07 1tvi s ARG 56 CO -0.02 -0.06 1.15 -1.25 -0.04 0.00 0.00 175.30 175.09 1tvi s PRO 57 N 2.00 0.86 0.25 3.89 0.04 -1.26 -4.64 135.00 136.14 1tvi s PRO 57 Ca -0.03 0.19 -0.22 0.00 0.04 0.00 0.00 61.00 60.98 1tvi s PRO 57 Cb -0.03 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.73 1tvi s PRO 57 CO -0.16 -2.37 0.82 -0.08 0.04 0.00 0.00 177.00 175.26 1tvi s THR 58 N -3.31 0.00 0.00 1.26 -1.32 -1.26 -4.96 115.64 106.04 1tvi s THR 58 Ca 0.65 -0.87 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 1tvi s THR 58 Cb -0.13 -2.16 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 1tvi s THR 58 CO 0.54 0.00 0.83 -0.67 -2.21 0.00 0.00 174.62 173.11 1tvi n ASP 59 N -0.63 0.00 -4.03 8.08 -0.08 -1.26 -4.79 116.55 113.84 1tvi n ASP 59 Ca -0.05 0.83 -0.19 0.00 -1.51 0.00 0.00 54.79 53.87 1tvi n ASP 59 Cb 0.60 -0.33 -0.15 0.00 2.34 0.00 0.00 41.12 43.58 1tvi n ASP 59 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1tvi s VAL 60 N -2.32 0.76 -0.19 5.18 0.11 -1.26 -2.97 120.40 119.71 1tvi s VAL 60 Ca 0.00 -0.41 -0.09 0.00 -2.93 0.00 0.00 61.98 58.55 1tvi s VAL 60 Cb 0.00 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 34.16 1tvi s VAL 60 CO 0.00 0.22 0.12 -0.76 -3.33 0.00 0.00 175.10 171.34 1tvi s LEU 61 N -0.22 4.15 -0.13 2.54 1.02 0.24 -5.00 118.68 121.29 1tvi s LEU 61 Ca 0.04 0.22 -0.04 0.00 0.02 0.00 0.00 54.13 54.36 1tvi s LEU 61 Cb -0.04 -2.06 -0.04 0.00 0.02 0.00 0.00 46.19 44.07 1tvi s LEU 61 CO -0.00 0.19 0.03 -0.89 0.02 0.00 0.00 176.35 175.70 1tvi s THR 62 N 0.27 4.51 0.10 5.49 2.01 -1.26 -0.85 115.64 125.92 1tvi s THR 62 Ca 0.08 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 1tvi s THR 62 Cb -0.11 -2.96 -0.06 0.00 0.01 0.00 0.00 72.50 69.39 1tvi s THR 62 CO -0.01 0.55 1.02 0.12 -0.69 0.00 0.00 174.62 175.61 1tvi s PHE 63 N -0.38 3.70 -0.41 4.92 5.36 -1.26 -4.94 117.98 124.97 1tvi s PHE 63 Ca 0.08 1.69 -0.29 0.00 -0.96 0.00 0.00 56.93 57.45 1tvi s PHE 63 Cb -0.12 -3.15 0.01 0.00 -0.34 0.00 0.00 43.02 39.42 1tvi s PHE 63 CO 0.02 -0.15 1.41 -1.25 -1.46 0.00 0.00 175.22 173.79 1tvi s PRO 64 N 0.20 3.57 -0.06 10.12 0.04 -1.26 -4.64 135.00 142.98 1tvi s PRO 64 Ca 0.49 0.93 0.02 0.00 0.04 0.00 0.00 61.00 62.49 1tvi s PRO 64 Cb -0.25 -4.03 0.07 0.00 0.04 0.00 0.00 34.50 30.33 1tvi s PRO 64 CO 0.31 -1.57 0.62 1.47 0.04 0.00 0.00 177.00 177.87 1tvi n LEU 65 N 8.83 -0.50 -4.50 -3.56 -0.00 -1.26 -5.09 117.00 110.92 1tvi n LEU 65 Ca 0.17 -1.27 -0.34 0.00 -0.00 0.00 0.00 56.01 54.57 1tvi n LEU 65 Cb 0.48 0.24 -0.17 0.00 -0.00 0.00 0.00 43.42 43.97 1tvi n LEU 65 CO 0.70 1.07 2.15 0.23 -0.00 0.00 0.00 177.39 181.54 1tvi n MET 66 N -0.26 0.07 -3.30 1.47 2.81 -1.26 -4.78 117.12 111.86 1tvi n MET 66 Ca -0.10 -0.02 -0.14 0.00 -1.81 0.00 0.00 57.70 55.62 1tvi n MET 66 Cb 0.53 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.50 1tvi n MET 66 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1tvi n GLU 67 N 7.59 0.92 -0.15 0.03 1.02 -1.26 -5.04 120.64 123.75 1tvi n GLU 67 Ca 0.65 -1.85 -0.06 0.00 -0.02 0.00 0.00 57.16 55.88 1tvi n GLU 67 Cb 0.10 0.86 0.12 0.00 -0.02 0.00 0.00 31.44 32.50 1tvi n GLU 67 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1tvi h GLU 68 N 0.00 0.89 -2.31 3.49 4.57 -1.96 -3.37 114.58 115.89 1tvi h GLU 68 Ca -0.18 -0.25 -0.51 0.00 -1.18 0.00 0.00 59.36 57.24 1tvi h GLU 68 Cb 0.65 -0.10 -0.36 0.00 -0.16 0.00 0.00 28.75 28.78 1tvi h GLU 68 CO 0.29 0.88 -0.82 -0.51 -1.18 0.00 0.00 179.01 177.67 1tvi s ASP 69 N -6.61 2.03 0.13 1.04 1.11 -1.26 -4.78 116.67 108.33 1tvi s ASP 69 Ca -0.10 -2.16 -0.34 0.00 0.18 0.00 0.00 52.55 50.13 1tvi s ASP 69 Cb 0.14 -0.06 -0.17 0.00 1.07 0.00 0.00 42.92 43.90 1tvi s ASP 69 CO 0.83 -0.26 0.98 0.55 1.18 0.00 0.00 175.17 178.44 1tvi n VAL 70 N 3.84 0.89 -2.62 -1.27 3.14 -1.26 -4.87 118.33 116.18 1tvi n VAL 70 Ca 0.15 -0.22 -0.02 0.00 -2.96 0.00 0.00 64.34 61.29 1tvi n VAL 70 Cb 0.42 -0.38 0.10 0.00 -1.06 0.00 0.00 33.84 32.92 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 1.13 -1.32 0.00 1.45 4.11 -1.26 -4.73 117.16 116.53 1tvi n TYR 71 Ca 0.17 -1.63 0.00 0.00 -0.00 0.00 0.00 57.90 56.44 1tvi n TYR 71 Cb 0.20 1.15 0.00 0.00 -0.00 0.00 0.00 39.34 40.69 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 -1.21 1.56 2.84 -7.48 0.00 -1.25 -4.69 105.19 94.95 1tvi n GLY 72 Ca -0.15 -1.29 -0.27 0.00 0.00 0.00 0.00 46.02 44.31 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 4.74 1.13 0.12 1.61 -1.05 -1.26 -1.73 118.70 122.26 1tvi s GLU 73 Ca 0.00 -0.44 0.03 0.00 -0.15 0.00 0.00 54.97 54.41 1tvi s GLU 73 Cb 0.00 -1.93 -0.04 0.00 -0.44 0.00 0.00 34.13 31.72 1tvi s GLU 73 CO 0.00 -0.48 0.18 0.96 0.95 0.00 0.00 175.26 176.87 1tvi s ILE 74 N 1.72 4.88 -0.10 1.83 -5.25 0.27 -4.25 121.20 120.31 1tvi s ILE 74 Ca 0.00 -0.78 0.01 0.00 -0.99 0.00 0.00 60.65 58.89 1tvi s ILE 74 Cb -0.16 -3.45 -0.02 0.00 2.95 0.00 0.00 42.46 41.78 1tvi s ILE 74 CO -0.07 -0.01 -0.10 -0.31 -1.79 0.00 0.00 174.94 172.66 1tvi s TYR 75 N -1.62 2.85 0.14 1.37 1.51 -0.03 0.88 117.35 122.45 1tvi s TYR 75 Ca 0.32 -0.28 0.07 0.00 -1.01 0.00 0.00 57.07 56.17 1tvi s TYR 75 Cb -0.11 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 1tvi s TYR 75 CO 0.25 0.07 -0.16 0.08 -1.11 0.00 0.00 175.55 174.68 1tvi s VAL 76 N -0.25 1.56 -0.30 0.71 1.01 0.01 0.82 120.40 123.97 1tvi s VAL 76 Ca 0.02 -1.82 -0.02 0.00 0.00 0.00 0.00 61.98 60.16 1tvi s VAL 76 Cb -0.13 -1.69 0.12 0.00 0.00 0.00 0.00 36.38 34.68 1tvi s VAL 76 CO 0.03 -0.37 0.19 0.00 0.00 0.00 0.00 175.10 174.94 1tvi n PRO 78 N 5.10 0.75 0.17 0.00 -0.04 -1.26 -3.08 135.00 136.63 1tvi n PRO 78 Ca -0.02 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.33 1tvi n PRO 78 Cb 0.43 -1.49 -0.06 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 -0.41 -0.37 1.53 5.85 -1.91 -1.26 115.31 118.74 1tvi h LEU 79 Ca 0.00 -0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.47 1tvi h LEU 79 Cb 0.00 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1tvi h LEU 79 CO 0.00 0.04 -0.32 0.40 -0.34 0.00 0.00 178.44 178.22 1tvi h ILE 80 N -1.03 1.28 -0.28 4.05 5.03 -1.89 -1.44 117.51 123.24 1tvi h ILE 80 Ca -0.05 -1.48 0.06 0.00 -0.12 0.00 0.00 64.86 63.27 1tvi h ILE 80 Cb 0.50 1.40 -0.06 0.00 -3.03 0.00 0.00 36.82 35.63 1tvi h ILE 80 CO 0.08 0.49 -0.14 0.58 -0.68 0.00 0.00 178.15 178.48 1tvi h VAL 81 N 0.66 0.56 -0.67 1.67 2.07 -1.63 0.33 116.25 119.25 1tvi h VAL 81 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 1tvi h VAL 81 Cb 0.90 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1tvi h VAL 81 CO 0.08 0.00 0.30 -0.08 0.02 0.00 0.00 177.57 177.89 1tvi h GLU 82 N -0.11 0.98 -0.24 1.57 4.81 -1.15 0.18 114.58 120.62 1tvi h GLU 82 Ca 0.15 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1tvi h GLU 82 Cb 0.33 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1tvi h GLU 82 CO -0.35 0.79 0.01 1.49 -0.73 0.00 0.00 179.01 180.22 1tvi h GLU 83 N 0.93 0.09 0.00 1.92 4.57 -0.07 1.40 114.58 123.41 1tvi h GLU 83 Ca 0.23 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.32 1tvi h GLU 83 Cb 0.16 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1tvi h GLU 83 CO -0.02 0.06 -0.38 -0.91 -1.18 0.00 0.00 179.01 176.58 1tvi h ASN 84 N 0.09 0.00 1.02 1.04 -0.26 -0.15 -2.10 115.58 115.22 1tvi h ASN 84 Ca 0.11 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.71 1tvi h ASN 84 Cb 0.14 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.38 1tvi h ASN 84 CO -0.18 0.38 -0.68 0.00 -1.06 0.00 0.00 177.43 175.89 1tvi h ALA 85 N 1.62 0.68 0.17 -0.83 0.00 0.94 -1.21 119.26 120.64 1tvi h ALA 85 Ca -0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1tvi h ALA 85 Cb 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1tvi h ALA 85 CO 0.05 0.85 -0.08 0.00 0.00 0.00 0.00 179.25 180.06 1tvi h ARG 86 N 0.00 -0.22 -0.17 0.00 3.08 0.25 1.97 114.38 119.29 1tvi h ARG 86 Ca -0.01 0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.88 1tvi h ARG 86 Cb 1.37 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.47 1tvi h ARG 86 CO 0.09 -0.03 -0.62 1.05 -1.07 0.00 0.00 179.97 179.39 1tvi h GLU 87 N -0.38 0.58 -0.51 0.04 4.11 -1.56 -2.83 114.58 114.03 1tvi h GLU 87 Ca -0.02 -0.41 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1tvi h GLU 87 Cb 0.30 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1tvi h GLU 87 CO 0.04 1.02 0.00 0.34 0.07 0.00 0.00 179.01 180.48 1tvi n PHE 88 N -3.93 0.74 -3.66 2.06 -0.00 -0.46 -4.89 117.46 107.32 1tvi n PHE 88 Ca -0.04 -0.32 -0.26 0.00 -0.00 0.00 0.00 57.45 56.82 1tvi n PHE 88 Cb 0.65 -0.08 -0.05 0.00 -0.00 0.00 0.00 39.48 40.00 1tvi n PHE 88 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1tvi n ASN 89 N 0.69 -1.44 -4.85 -2.13 4.05 0.58 -4.84 115.26 107.32 1tvi n ASN 89 Ca 0.15 -0.61 -0.32 0.00 0.45 0.00 0.00 54.58 54.26 1tvi n ASN 89 Cb 0.47 -1.30 -0.02 0.00 1.23 0.00 0.00 39.78 40.16 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 -2.67 6.50 -0.75 1.20 2.47 0.36 -4.96 114.94 117.10 1tvi s ASN 90 Ca 0.51 1.50 -0.26 0.00 0.42 0.00 0.00 52.86 55.03 1tvi s ASN 90 Cb -0.30 -2.49 0.00 0.00 -1.45 0.00 0.00 41.25 37.02 1tvi s ASN 90 CO 0.63 -0.66 1.61 -0.89 -3.72 0.00 0.00 177.10 174.08 1tvi s THR 91 N -2.77 3.57 0.56 -5.21 2.01 -1.26 -4.65 115.64 107.88 1tvi s THR 91 Ca 0.57 0.08 0.29 0.00 0.31 0.00 0.00 61.69 62.94 1tvi s THR 91 Cb -0.10 -4.44 0.42 0.00 0.01 0.00 0.00 72.50 68.39 1tvi s THR 91 CO 0.38 -1.38 1.92 0.15 -0.69 0.00 0.00 174.62 175.00 1tvi h PHE 92 N 12.06 0.00 0.28 4.92 3.57 -1.91 0.40 116.94 136.25 1tvi h PHE 92 Ca -0.16 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1tvi h PHE 92 Cb 1.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1tvi h PHE 92 CO 1.13 0.00 -0.14 0.93 -2.23 0.00 0.00 178.31 178.00 1tvi h GLU 93 N 0.00 -0.36 -0.92 1.11 3.07 -1.98 -1.94 114.58 113.56 1tvi h GLU 93 Ca 0.29 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 59.22 1tvi h GLU 93 Cb 1.31 0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 29.25 1tvi h GLU 93 CO -0.00 -0.07 0.60 -0.22 -1.40 0.00 0.00 179.01 177.92 1tvi h LYS 94 N -1.00 1.09 0.10 2.33 1.63 -1.69 0.58 116.57 119.62 1tvi h LYS 94 Ca -0.04 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1tvi h LYS 94 Cb 0.46 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 1tvi h LYS 94 CO 0.06 0.72 -0.12 1.49 -3.45 0.00 0.00 179.45 178.15 1tvi h GLU 95 N 1.12 -0.25 0.00 1.90 4.22 -0.30 0.15 114.58 121.42 1tvi h GLU 95 Ca 0.38 0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.76 1tvi h GLU 95 Cb 0.07 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1tvi h GLU 95 CO -0.12 -0.17 -0.35 1.25 -2.18 0.00 0.00 179.01 177.44 1tvi h LEU 96 N -0.26 0.00 -1.28 1.64 7.12 -0.70 -1.98 115.31 119.85 1tvi h LEU 96 Ca 0.01 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.95 1tvi h LEU 96 Cb 0.26 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.38 1tvi h LEU 96 CO -0.05 0.35 -0.34 -0.07 -0.13 0.00 0.00 178.44 178.20 1tvi h LEU 97 N 0.00 0.00 0.38 2.25 4.07 0.11 -2.16 115.31 119.96 1tvi h LEU 97 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1tvi h LEU 97 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 1tvi h LEU 97 CO 0.05 0.34 -0.18 -0.33 -1.08 0.00 0.00 178.44 177.24 1tvi h GLU 98 N 0.00 -0.49 -0.10 1.13 5.08 0.05 -1.97 114.58 118.29 1tvi h GLU 98 Ca -0.00 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1tvi h GLU 98 Cb 0.67 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1tvi h GLU 98 CO 0.04 -0.18 0.09 -0.39 -1.00 0.00 0.00 179.01 177.58 1tvi h VAL 99 N -0.83 0.64 0.61 3.13 -1.51 -1.47 1.87 116.25 118.70 1tvi h VAL 99 Ca -0.05 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.39 1tvi h VAL 99 Cb 0.53 0.93 0.01 0.00 -2.13 0.00 0.00 31.29 30.63 1tvi h VAL 99 CO 0.08 0.00 -0.29 0.58 -1.23 0.00 0.00 177.57 176.71 1tvi h VAL 100 N 0.00 0.25 0.00 7.19 2.07 -1.10 -2.96 116.25 121.69 1tvi h VAL 100 Ca 0.05 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1tvi h VAL 100 Cb 0.23 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1tvi h VAL 100 CO -0.00 0.03 0.00 0.16 0.02 0.00 0.00 177.57 177.78 1tvi h ILE 101 N -1.06 0.00 -0.77 4.57 3.07 -0.64 -3.16 117.51 119.52 1tvi h ILE 101 Ca -0.08 -0.52 0.22 0.00 1.55 0.00 0.00 64.86 66.03 1tvi h ILE 101 Cb 0.68 1.47 -0.03 0.00 -0.27 0.00 0.00 36.82 38.67 1tvi h ILE 101 CO 0.14 0.00 0.62 -0.74 -1.05 0.00 0.00 178.15 177.11 1tvi h HIS 102 N 0.00 0.00 0.00 0.16 2.76 0.31 2.39 115.15 120.76 1tvi h HIS 102 Ca 0.00 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1tvi h HIS 102 Cb 0.70 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 1tvi h HIS 102 CO 0.00 0.00 -0.25 0.78 -1.30 0.00 0.00 177.93 177.16 1tvi h GLY 103 N 0.00 0.00 0.64 5.26 0.00 -1.61 -3.15 103.07 104.22 1tvi h GLY 103 Ca 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 1tvi h GLY 103 CO -0.00 0.00 -0.14 -2.22 0.00 0.00 0.00 176.54 174.18 1tvi h ILE 104 N -1.00 0.72 -0.85 2.60 2.04 -1.31 -2.54 117.51 117.17 1tvi h ILE 104 Ca -0.06 -0.63 0.25 0.00 1.00 0.00 0.00 64.86 65.41 1tvi h ILE 104 Cb 0.88 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 1tvi h ILE 104 CO -0.04 0.12 0.77 0.17 0.00 0.00 0.00 178.15 179.18 1tvi h LEU 105 N -0.75 0.00 0.08 1.44 8.10 0.38 0.91 115.31 125.47 1tvi h LEU 105 Ca -0.04 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.95 1tvi h LEU 105 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.72 1tvi h LEU 105 CO 0.06 0.00 -0.04 -0.74 -4.11 0.00 0.00 178.44 173.62 1tvi h HIS 106 N 0.00 -0.10 -0.04 0.17 2.76 -1.41 -2.81 115.15 113.72 1tvi h HIS 106 Ca 0.40 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 1tvi h HIS 106 Cb 1.95 0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.94 1tvi h HIS 106 CO 0.00 0.33 0.00 1.47 -1.30 0.00 0.00 177.93 178.43 1tvi n LEU 107 N -4.93 0.44 0.16 0.26 -0.00 0.17 -3.19 117.00 109.90 1tvi n LEU 107 Ca -0.08 -0.18 0.03 0.00 -0.00 0.00 0.00 56.01 55.77 1tvi n LEU 107 Cb 0.24 -0.03 0.20 0.00 -0.00 0.00 0.00 43.42 43.84 1tvi n LEU 107 CO 0.32 0.09 0.56 0.00 -0.00 0.00 0.00 177.39 178.35 1tvi h ALA 108 N 3.73 0.85 -3.00 1.47 0.00 0.82 -3.47 119.26 119.67 1tvi h ALA 108 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1tvi h ALA 108 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1tvi h ALA 108 CO 0.00 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1tvi n GLY 109 N 0.58 1.23 0.89 0.00 0.00 -1.19 -4.98 105.19 101.71 1tvi n GLY 109 Ca 0.00 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.75 1tvi n GLY 109 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tvi n TYR 110 N 0.00 -2.39 0.00 1.61 4.01 -1.26 -4.86 117.16 114.27 1tvi n TYR 110 Ca 0.00 1.32 0.00 0.00 -0.16 0.00 0.00 57.90 59.06 1tvi n TYR 110 Cb 0.00 -2.18 0.00 0.00 -0.31 0.00 0.00 39.34 36.85 1tvi n TYR 110 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1tvi n ASP 111 N -3.45 0.00 -4.11 7.72 -0.08 -1.26 -5.02 116.55 110.34 1tvi n ASP 111 Ca -0.06 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.82 1tvi n ASP 111 Cb 0.42 0.14 -0.03 0.00 2.34 0.00 0.00 41.12 44.00 1tvi n ASP 111 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1tvi n HIS 112 N -2.06 4.10 -1.51 -0.67 1.44 -1.26 -4.95 115.22 110.31 1tvi n HIS 112 Ca 0.00 -3.70 0.00 0.00 -2.01 0.00 0.00 57.72 52.01 1tvi n HIS 112 Cb 0.00 -1.32 0.00 0.00 0.12 0.00 0.00 29.99 28.79 1tvi n HIS 112 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1tvi n GLU 113 N 2.08 -4.27 -0.01 -1.40 2.13 -1.26 -4.92 120.64 112.99 1tvi n GLU 113 Ca 0.24 3.12 0.01 0.00 0.66 0.00 0.00 57.16 61.19 1tvi n GLU 113 Cb 0.37 -3.47 0.01 0.00 0.27 0.00 0.00 31.44 28.62 1tvi n GLU 113 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1tvi n PHE 114 N -0.18 0.03 -4.31 4.31 1.16 -1.26 -5.02 117.46 112.19 1tvi n PHE 114 Ca 0.00 -0.24 -0.20 0.00 -1.87 0.00 0.00 57.45 55.14 1tvi n PHE 114 Cb 0.00 -0.02 -0.11 0.00 -1.61 0.00 0.00 39.48 37.74 1tvi n PHE 114 CO 0.00 0.00 0.00 -1.83 -1.87 0.00 0.00 176.76 173.06 1tvi s GLU 115 N -0.54 1.23 0.00 3.97 -1.05 -1.26 -4.54 118.70 116.50 1tvi s GLU 115 Ca 0.02 -1.43 0.00 0.00 -0.15 0.00 0.00 54.97 53.41 1tvi s GLU 115 Cb 0.01 -1.14 0.00 0.00 -0.44 0.00 0.00 34.13 32.56 1tvi s GLU 115 CO 0.02 0.21 0.00 -3.47 0.95 0.00 0.00 175.26 172.97 1tvi n ASP 116 N 0.11 0.00 0.00 0.83 -0.08 -1.26 -5.02 116.55 111.13 1tvi n ASP 116 Ca -0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 1tvi n ASP 116 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 1tvi n ASP 116 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1tvi n LYS 117 N 0.00 0.00 -4.95 -0.67 4.01 -1.26 -4.56 118.16 110.73 1tvi n LYS 117 Ca 0.00 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.48 1tvi n LYS 117 Cb 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.38 1tvi n LYS 117 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1tvi s ASN 118 N -1.95 3.77 -1.10 4.39 2.20 -1.26 -5.05 114.94 115.93 1tvi s ASN 118 Ca 0.00 -0.33 -0.07 0.00 -0.94 0.00 0.00 52.86 51.52 1tvi s ASN 118 Cb 0.00 -1.12 0.29 0.00 -2.00 0.00 0.00 41.25 38.42 1tvi s ASN 118 CO 0.00 0.25 1.28 -0.24 -2.94 0.00 0.00 177.10 175.45 1tvi n SER 119 N 2.92 5.91 -0.07 3.54 2.88 -1.26 -4.77 113.62 122.77 1tvi n SER 119 Ca -0.18 -3.20 -0.10 0.00 -1.33 0.00 0.00 58.87 54.07 1tvi n SER 119 Cb 0.52 -1.34 -0.08 0.00 -0.75 0.00 0.00 64.21 62.57 1tvi n SER 119 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1tvi h LYS 120 N 6.13 0.00 -0.76 -1.46 1.63 -1.93 -2.91 116.57 117.28 1tvi h LYS 120 Ca 0.19 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 1tvi h LYS 120 Cb 0.76 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.36 1tvi h LYS 120 CO 1.15 0.60 0.42 1.49 -3.45 0.00 0.00 179.45 179.67 1tvi h GLU 121 N -1.00 1.04 0.10 1.90 4.22 -1.92 0.73 114.58 119.65 1tvi h GLU 121 Ca -0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 59.36 59.28 1tvi h GLU 121 Cb 0.68 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1tvi h GLU 121 CO -0.03 0.76 -0.05 0.52 -2.18 0.00 0.00 179.01 178.03 1tvi h MET 122 N 1.05 -0.13 0.00 1.92 2.86 -1.80 0.22 114.93 119.05 1tvi h MET 122 Ca 0.27 0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.79 1tvi h MET 122 Cb 0.01 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1tvi h MET 122 CO -0.05 -0.06 -0.63 0.35 1.06 0.00 0.00 176.91 177.59 1tvi h PHE 123 N -0.17 0.00 0.51 -0.22 3.04 -1.27 -1.94 116.94 116.89 1tvi h PHE 123 Ca -0.01 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 1tvi h PHE 123 Cb 0.13 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.65 1tvi h PHE 123 CO -0.06 0.63 -0.25 0.93 -2.02 0.00 0.00 178.31 177.54 1tvi h GLU 124 N 0.00 -0.66 -0.05 1.11 4.39 0.76 0.40 114.58 120.54 1tvi h GLU 124 Ca -0.01 0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1tvi h GLU 124 Cb 1.15 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1tvi h GLU 124 CO 0.08 -0.44 0.06 0.87 -1.16 0.00 0.00 179.01 178.42 1tvi h LYS 125 N -0.98 0.00 0.08 2.33 1.79 -0.65 0.27 116.57 119.41 1tvi h LYS 125 Ca -0.07 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.12 1tvi h LYS 125 Cb 0.53 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.20 1tvi h LYS 125 CO 0.12 0.00 -1.17 0.37 -1.08 0.00 0.00 179.45 177.69 1tvi h GLN 126 N 0.00 0.60 0.00 3.15 4.15 -1.21 -3.15 115.11 118.65 1tvi h GLN 126 Ca 0.02 -0.75 -0.06 0.00 0.77 0.00 0.00 58.65 58.64 1tvi h GLN 126 Cb 0.14 0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1tvi h GLN 126 CO -0.00 1.33 -0.26 0.87 -1.93 0.00 0.00 178.83 178.83 1tvi h LYS 127 N 0.29 0.00 0.33 1.69 1.79 0.17 -0.80 116.57 120.04 1tvi h LYS 127 Ca -0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1tvi h LYS 127 Cb 1.83 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.45 1tvi h LYS 127 CO 0.22 0.26 -0.38 -0.22 -1.08 0.00 0.00 179.45 178.26 1tvi h LYS 128 N 0.00 -0.72 -0.18 3.15 3.64 -1.06 0.76 116.57 122.16 1tvi h LYS 128 Ca -0.00 0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.21 1tvi h LYS 128 Cb 0.68 0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.67 1tvi h LYS 128 CO 0.03 -0.48 -0.72 1.88 -2.27 0.00 0.00 179.45 177.90 1tvi h TYR 129 N -0.75 1.07 -0.79 1.91 0.05 -1.61 -2.30 116.97 114.56 1tvi h TYR 129 Ca -0.02 -0.45 0.08 0.00 0.05 0.00 0.00 58.73 58.38 1tvi h TYR 129 Cb 0.69 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 38.19 1tvi h TYR 129 CO -0.23 1.29 0.46 0.28 -1.05 0.00 0.00 178.16 178.90 1tvi h VAL 130 N 0.55 0.96 -0.33 -2.88 2.07 -0.95 1.12 116.25 116.79 1tvi h VAL 130 Ca -0.04 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.08 1tvi h VAL 130 Cb 1.35 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1tvi h VAL 130 CO 0.15 0.15 -0.29 -0.33 0.02 0.00 0.00 177.57 177.27 1tvi h GLU 131 N 0.81 0.69 -0.28 1.57 4.39 0.58 1.80 114.58 124.13 1tvi h GLU 131 Ca 0.36 -0.30 -0.17 0.00 0.34 0.00 0.00 59.36 59.59 1tvi h GLU 131 Cb 0.26 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1tvi h GLU 131 CO -0.21 0.90 -0.50 0.93 -1.16 0.00 0.00 179.01 178.97 1tvi h GLU 132 N 0.59 0.84 0.16 2.33 5.08 -0.52 0.69 114.58 123.76 1tvi h GLU 132 Ca 0.07 -0.52 -0.31 0.00 -1.00 0.00 0.00 59.36 57.60 1tvi h GLU 132 Cb 0.79 0.06 0.03 0.00 0.50 0.00 0.00 28.75 30.13 1tvi h GLU 132 CO 0.07 1.15 -1.32 0.28 -1.00 0.00 0.00 179.01 178.19 1tvi h VAL 133 N 0.61 1.31 0.00 3.13 2.07 0.14 -3.06 116.25 120.44 1tvi h VAL 133 Ca 0.02 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 64.93 1tvi h VAL 133 Cb 1.10 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.70 1tvi h VAL 133 CO 0.11 0.79 0.00 1.87 0.02 0.00 0.00 177.57 180.36 1tvi n TRP 134 N -3.74 0.67 -0.18 1.57 -0.00 0.61 -3.19 117.44 113.18 1tvi n TRP 134 Ca -0.14 0.21 0.28 0.00 -0.00 0.00 0.00 57.50 57.85 1tvi n TRP 134 Cb 1.03 -0.85 0.71 0.00 -0.00 0.00 0.00 31.31 32.19 1tvi n TRP 134 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1tvi h GLY 135 N 3.86 0.08 0.00 5.87 0.00 0.52 1.65 103.07 115.05 1tvi h GLY 135 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1tvi h GLY 135 CO 0.00 -0.00 -0.50 -2.09 0.00 0.00 0.00 176.54 173.95 1tvi h GLU 136 N 0.03 0.00 -0.03 4.80 4.81 -1.73 -3.34 114.58 119.13 1tvi h GLU 136 Ca 0.42 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.66 1tvi h GLU 136 Cb 1.65 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.03 1tvi h GLU 136 CO -0.02 0.21 0.20 -1.49 -0.73 0.00 0.00 179.01 177.18 1tvi h TRP 137 N -1.00 0.00 -1.07 0.92 4.06 -1.58 -0.13 115.95 117.16 1tvi h TRP 137 Ca -0.06 0.00 0.28 0.00 2.06 0.00 0.00 58.89 61.18 1tvi h TRP 137 Cb 0.55 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.63 1tvi h TRP 137 CO -0.10 0.00 0.70 -0.09 -3.56 0.00 0.00 178.44 175.39 1tvi h ARG 138 N 0.00 0.31 0.00 0.49 1.12 0.23 1.66 114.38 118.19 1tvi h ARG 138 Ca 0.01 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1tvi h ARG 138 Cb 0.42 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.31 1tvi h ARG 138 CO -0.00 0.21 0.03 0.77 -3.11 0.00 0.00 179.97 177.86 1tvi h SER 139 N 0.32 0.00 -3.66 -3.80 0.02 -1.22 -3.20 113.55 102.01 1tvi h SER 139 Ca 0.60 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.90 1tvi h SER 139 Cb 1.65 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.80 1tvi h SER 139 CO -0.26 0.00 -0.48 0.20 -1.14 0.00 0.00 176.83 175.15 1tvi s ASN 140 N -4.05 4.93 0.20 3.07 0.01 0.57 -4.94 114.94 114.73 1tvi s ASN 140 Ca -0.02 -3.46 0.00 0.00 -0.71 0.00 0.00 52.86 48.66 1tvi s ASN 140 Cb 0.06 -1.71 0.00 0.00 0.41 0.00 0.00 41.25 40.01 1tvi s ASN 140 CO 0.20 -0.18 0.00 -0.81 -1.51 0.00 0.00 177.10 174.80 1tvi n PRO 141 N 2.56 0.70 -0.34 -0.60 -0.04 -1.21 -4.86 135.00 131.21 1tvi n PRO 141 Ca 0.14 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.62 1tvi n PRO 141 Cb 0.35 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.61 -0.47 -3.68 3.54 2.88 -1.26 -4.62 113.62 109.40 1tvi n SER 142 Ca 0.00 1.56 -0.11 0.00 -1.33 0.00 0.00 58.87 59.00 1tvi n SER 142 Cb 0.00 -0.41 -0.05 0.00 -0.75 0.00 0.00 64.21 63.00 1tvi n SER 142 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1tvi s GLU 143 N -5.98 0.99 0.25 -1.46 2.02 -1.26 -5.13 118.70 108.13 1tvi s GLU 143 Ca -0.13 -0.68 -0.27 0.00 0.02 0.00 0.00 54.97 53.92 1tvi s GLU 143 Cb 0.21 0.43 -0.16 0.00 0.10 0.00 0.00 34.13 34.71 1tvi s GLU 143 CO 0.67 -0.36 0.51 -3.47 0.02 0.00 0.00 175.26 172.62 1tvi n ASP 144 N -0.02 -1.20 0.00 -0.19 2.03 -1.26 -4.96 116.55 110.95 1tvi n ASP 144 Ca -0.16 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.22 1tvi n ASP 144 Cb 0.63 -0.99 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 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 1.93 0.00 -1.57 1.67 2.88 -1.26 -5.07 113.62 112.20 1tvi n SER 145 Ca 0.16 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.71 1tvi n SER 145 Cb 0.29 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.74 1tvi n SER 145 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1tvi n ASP 146 N 0.00 -8.45 -0.02 -3.46 4.64 -1.26 -4.77 116.55 103.23 1tvi n ASP 146 Ca 0.00 1.86 -0.16 0.00 -1.38 0.00 0.00 54.79 55.11 1tvi n ASP 146 Cb 0.00 -5.09 -0.11 0.00 -1.04 0.00 0.00 41.12 34.88 1tvi n ASP 146 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1tvi h PRO 147 N 0.07 0.30 0.00 -0.67 0.13 -2.01 -3.48 132.00 126.34 1tvi h PRO 147 Ca -0.01 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1tvi h PRO 147 Cb 1.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1tvi h PRO 147 CO 0.00 0.98 0.00 0.41 -0.23 0.00 0.00 178.00 179.16 1tvi n GLY 148 N 0.94 0.06 0.56 1.56 0.00 -1.26 -5.09 105.19 101.95 1tvi n GLY 148 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.59 0.00 1.61 4.81 -1.26 -5.23 118.16 116.49 1tvi n LYS 149 Ca 0.00 1.18 0.07 0.00 -0.87 0.00 0.00 58.31 58.69 1tvi n LYS 149 Cb 0.00 -1.32 0.06 0.00 0.02 0.00 0.00 35.03 33.79 1tvi n LYS 149 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44