#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 5.27 -0.23 2.02 1.09 -1.26 -0.43 121.20 127.66 1tvi s ILE 2 Ca 0.00 0.54 0.02 0.00 -1.10 0.00 0.00 60.65 60.10 1tvi s ILE 2 Cb 0.00 -3.58 0.05 0.00 -1.06 0.00 0.00 42.46 37.87 1tvi s ILE 2 CO 0.00 0.53 -0.10 -0.60 -0.10 0.00 0.00 174.94 174.67 1tvi s ARG 3 N -0.55 2.08 -0.15 2.79 3.52 0.48 -4.88 118.95 122.24 1tvi s ARG 3 Ca 0.18 -1.11 -0.23 0.00 -0.13 0.00 0.00 55.73 54.45 1tvi s ARG 3 Cb -0.14 -2.68 -0.02 0.00 -1.56 0.00 0.00 34.95 30.54 1tvi s ARG 3 CO 0.07 -0.52 0.72 0.42 -0.81 0.00 0.00 175.30 175.18 1tvi s ILE 4 N 1.26 4.98 0.05 4.11 1.01 -1.26 0.01 121.20 131.36 1tvi s ILE 4 Ca -0.05 1.42 -0.00 0.00 0.00 0.00 0.00 60.65 62.01 1tvi s ILE 4 Cb -0.18 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1tvi s ILE 4 CO -0.07 0.12 -0.04 -1.48 0.00 0.00 0.00 174.94 173.48 1tvi s LEU 5 N 1.66 2.45 0.00 2.97 2.34 0.10 -4.92 118.68 123.28 1tvi s LEU 5 Ca 0.35 -0.91 0.00 0.00 0.06 0.00 0.00 54.13 53.63 1tvi s LEU 5 Cb -0.17 0.12 0.00 0.00 -0.56 0.00 0.00 46.19 45.59 1tvi s LEU 5 CO 0.13 -0.51 0.00 0.61 -1.06 0.00 0.00 176.35 175.52 1tvi n GLY 6 N 0.37 0.74 3.64 -3.48 0.00 -1.26 -1.37 105.19 103.83 1tvi n GLY 6 Ca -0.16 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 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 0.43 0.00 1.61 -1.05 -0.65 -4.86 118.70 114.18 1tvi s GLU 7 Ca 0.00 0.47 0.00 0.00 -0.15 0.00 0.00 54.97 55.29 1tvi s GLU 7 Cb 0.00 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 1tvi s GLU 7 CO 0.00 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.56 1tvi n GLY 8 N 2.00 4.93 3.35 -3.83 0.00 -1.26 -3.76 105.19 106.62 1tvi n GLY 8 Ca -0.12 -0.91 -0.52 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.94 0.06 0.00 1.61 4.81 -1.26 -3.37 118.16 118.08 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 7.08 0.36 0.12 3.14 0.00 -1.26 -4.75 105.19 109.88 1tvi n GLY 10 Ca 0.58 -0.01 -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 0.00 0.32 0.16 1.61 0.87 -1.97 0.24 113.55 114.77 1tvi h SER 11 Ca 0.00 -0.43 -0.09 0.00 -1.23 0.00 0.00 61.79 60.04 1tvi h SER 11 Cb 0.00 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1tvi h SER 11 CO 0.00 0.68 -0.31 0.11 -0.53 0.00 0.00 176.83 176.78 1tvi h LYS 12 N -0.04 0.25 -0.04 2.24 6.56 -1.94 0.16 116.57 123.75 1tvi h LYS 12 Ca 0.03 -0.09 -0.16 0.00 -1.06 0.00 0.00 60.65 59.36 1tvi h LYS 12 Cb 0.57 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.20 1tvi h LYS 12 CO 0.02 0.54 -0.69 1.37 -2.06 0.00 0.00 179.45 178.64 1tvi h LEU 13 N 0.22 0.24 0.08 2.94 8.10 -1.90 -2.84 115.31 122.15 1tvi h LEU 13 Ca 0.03 -0.16 -0.00 0.00 0.11 0.00 0.00 57.88 57.86 1tvi h LEU 13 Cb 0.67 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.82 1tvi h LEU 13 CO 0.05 0.85 -0.04 0.25 -4.11 0.00 0.00 178.44 175.45 1tvi h LEU 14 N 0.14 -0.09 -1.82 0.17 7.12 0.09 -2.99 115.31 117.93 1tvi h LEU 14 Ca -0.02 -0.50 0.00 0.00 0.13 0.00 0.00 57.88 57.49 1tvi h LEU 14 Cb 1.23 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.38 1tvi h LEU 14 CO 0.10 0.52 0.32 -0.33 -0.13 0.00 0.00 178.44 178.93 1tvi h GLU 15 N -0.77 0.00 0.00 1.25 5.08 -0.73 0.85 114.58 120.25 1tvi h GLU 15 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1tvi h GLU 15 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1tvi h GLU 15 CO 0.02 0.00 -0.07 -0.91 -1.00 0.00 0.00 179.01 177.05 1tvi h ASN 16 N 0.00 0.06 -0.81 1.42 2.35 -1.36 -3.31 115.58 113.92 1tvi h ASN 16 Ca 0.00 -0.80 -0.55 0.00 -0.55 0.00 0.00 56.30 54.40 1tvi h ASN 16 Cb 0.64 -0.02 -0.32 0.00 0.05 0.00 0.00 38.32 38.68 1tvi h ASN 16 CO 0.00 0.85 0.10 0.00 -1.65 0.00 0.00 177.43 176.73 1tvi n LEU 17 N -4.65 6.11 0.08 1.61 -0.00 0.57 -4.66 117.00 116.05 1tvi n LEU 17 Ca -0.10 -4.34 -0.06 0.00 -0.00 0.00 0.00 56.01 51.51 1tvi n LEU 17 Cb 0.42 -0.69 -0.04 0.00 -0.00 0.00 0.00 43.42 43.12 1tvi n LEU 17 CO 0.35 1.65 0.19 0.50 -0.00 0.00 0.00 177.39 180.08 1tvi h LYS 18 N 1.86 -0.28 -0.63 1.47 3.64 0.45 -2.96 116.57 120.11 1tvi h LYS 18 Ca 0.47 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 60.04 1tvi h LYS 18 Cb 1.33 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.18 1tvi h LYS 18 CO 1.08 -0.08 0.45 1.05 -2.27 0.00 0.00 179.45 179.68 1tvi h GLU 19 N -1.04 0.04 -0.31 1.90 9.09 -1.84 0.58 114.58 123.01 1tvi h GLU 19 Ca -0.03 -0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.30 1tvi h GLU 19 Cb 0.33 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.41 1tvi h GLU 19 CO 0.05 0.03 -0.13 -0.22 0.05 0.00 0.00 179.01 178.78 1tvi h LYS 20 N 0.04 0.53 0.04 1.06 1.63 -1.87 -2.35 116.57 115.65 1tvi h LYS 20 Ca 0.30 -0.16 -0.23 0.00 -0.85 0.00 0.00 60.65 59.71 1tvi h LYS 20 Cb 1.15 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.70 1tvi h LYS 20 CO -0.02 0.66 -1.10 -0.07 -3.45 0.00 0.00 179.45 175.47 1tvi h LEU 21 N 0.49 0.12 -2.68 5.20 3.38 0.20 -3.16 115.31 118.86 1tvi h LEU 21 Ca 0.09 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1tvi h LEU 21 Cb 0.52 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1tvi h LEU 21 CO 0.03 1.11 -0.00 -0.33 0.09 0.00 0.00 178.44 179.34 1tvi h GLU 22 N 0.02 0.00 0.08 1.13 5.08 -0.25 0.16 114.58 120.81 1tvi h GLU 22 Ca -0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1tvi h GLU 22 Cb 1.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.09 1tvi h GLU 22 CO 0.15 0.00 -0.04 0.93 -1.00 0.00 0.00 179.01 179.05 1tvi h GLU 23 N 0.00 -0.11 -0.32 2.33 5.08 -1.44 0.14 114.58 120.26 1tvi h GLU 23 Ca -0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1tvi h GLU 23 Cb 0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1tvi h GLU 23 CO 0.00 0.39 -0.03 -0.84 -1.00 0.00 0.00 179.01 177.53 1tvi h ILE 24 N -0.69 1.27 -0.63 3.13 3.07 -1.50 0.83 117.51 122.99 1tvi h ILE 24 Ca -0.01 -1.03 0.00 0.00 1.55 0.00 0.00 64.86 65.37 1tvi h ILE 24 Cb 0.55 1.30 -0.03 0.00 -0.27 0.00 0.00 36.82 38.37 1tvi h ILE 24 CO 0.02 0.33 0.41 1.62 -1.05 0.00 0.00 178.15 179.48 1tvi h VAL 25 N 0.37 1.17 0.23 0.16 3.04 -0.78 0.14 116.25 120.59 1tvi h VAL 25 Ca 0.09 -0.32 -0.01 0.00 -1.01 0.00 0.00 66.70 65.44 1tvi h VAL 25 Cb 0.50 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 1tvi h VAL 25 CO 0.02 0.16 -0.11 0.50 -1.01 0.00 0.00 177.57 177.13 1tvi h LYS 26 N 0.86 -0.30 -0.90 4.17 3.64 -0.51 -2.97 116.57 120.56 1tvi h LYS 26 Ca 0.23 0.02 0.25 0.00 -1.27 0.00 0.00 60.65 59.88 1tvi h LYS 26 Cb -0.08 0.07 -0.15 0.00 -0.41 0.00 0.00 32.23 31.66 1tvi h LYS 26 CO -0.05 0.06 0.24 -0.22 -2.27 0.00 0.00 179.45 177.21 1tvi h LYS 27 N -0.76 0.18 -0.18 1.90 3.64 0.87 0.46 116.57 122.68 1tvi h LYS 27 Ca -0.03 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1tvi h LYS 27 Cb 0.50 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.22 1tvi h LYS 27 CO 0.05 0.12 -0.18 1.49 -2.27 0.00 0.00 179.45 178.67 1tvi h GLU 28 N 0.19 -0.19 0.00 1.90 4.57 -0.89 -3.44 114.58 116.72 1tvi h GLU 28 Ca 0.57 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.77 1tvi h GLU 28 Cb 1.18 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1tvi h GLU 28 CO -0.68 -0.13 0.00 1.51 -1.18 0.00 0.00 179.01 178.53 1tvi n ILE 29 N -5.33 0.00 0.00 2.32 0.13 0.13 -5.06 119.36 111.55 1tvi n ILE 29 Ca -0.02 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.63 1tvi n ILE 29 Cb 0.24 -0.30 0.00 0.00 -0.84 0.00 0.00 39.64 38.74 1tvi n ILE 29 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1tvi n GLY 30 N 0.68 1.74 3.12 4.50 0.00 0.47 -4.92 105.19 110.78 1tvi n GLY 30 Ca 0.00 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 3.13 0.00 1.61 -1.08 -1.26 -4.37 116.67 114.69 1tvi s ASP 31 Ca 0.00 -0.65 0.00 0.00 -0.52 0.00 0.00 52.55 51.38 1tvi s ASP 31 Cb 0.00 -1.48 0.00 0.00 -1.46 0.00 0.00 42.92 39.98 1tvi s ASP 31 CO 0.00 0.00 0.00 0.52 0.52 0.00 0.00 175.17 176.21 1tvi n VAL 32 N 4.59 0.00 -3.27 1.11 0.31 -1.26 -4.85 118.33 114.96 1tvi n VAL 32 Ca -0.21 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.10 1tvi n VAL 32 Cb 0.50 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.39 1tvi n VAL 32 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1tvi s HIS 33 N -1.39 -1.26 -0.22 3.52 3.76 -1.24 0.24 115.29 118.71 1tvi s HIS 33 Ca 0.00 1.40 0.01 0.00 -0.15 0.00 0.00 55.06 56.31 1tvi s HIS 33 Cb 0.00 0.36 0.05 0.00 1.11 0.00 0.00 32.58 34.10 1tvi s HIS 33 CO 0.00 -0.79 -0.07 0.08 -0.85 0.00 0.00 174.74 173.11 1tvi s VAL 34 N 2.73 1.55 -0.24 -0.90 1.01 0.42 -4.21 120.40 120.76 1tvi s VAL 34 Ca 0.15 -1.12 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 1tvi s VAL 34 Cb -0.15 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1tvi s VAL 34 CO -0.18 0.00 0.37 0.20 0.00 0.00 0.00 175.10 175.49 1tvi s ASN 35 N 1.41 6.33 -0.14 3.32 0.01 -0.51 0.18 114.94 125.53 1tvi s ASN 35 Ca -0.04 0.38 -0.01 0.00 -0.71 0.00 0.00 52.86 52.48 1tvi s ASN 35 Cb -0.18 -2.21 -0.01 0.00 0.41 0.00 0.00 41.25 39.26 1tvi s ASN 35 CO -0.07 -0.12 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.59 1tvi s VAL 36 N 1.66 3.08 -0.32 1.60 1.01 0.10 0.10 120.40 127.62 1tvi s VAL 36 Ca 0.16 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 1tvi s VAL 36 Cb -0.15 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.95 1tvi s VAL 36 CO 0.08 0.51 0.11 -0.63 0.00 0.00 0.00 175.10 175.18 1tvi s ILE 37 N 0.48 4.04 -0.39 2.22 1.09 0.22 0.01 121.20 128.88 1tvi s ILE 37 Ca -0.09 -0.85 -0.25 0.00 -1.10 0.00 0.00 60.65 58.37 1tvi s ILE 37 Cb -0.16 -3.18 0.02 0.00 -1.06 0.00 0.00 42.46 38.08 1tvi s ILE 37 CO 0.04 -0.06 0.88 -0.76 -0.10 0.00 0.00 174.94 174.95 1tvi s LEU 38 N 1.48 4.04 -0.01 2.97 1.43 -0.47 -0.89 118.68 127.24 1tvi s LEU 38 Ca 0.01 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 1tvi s LEU 38 Cb -0.18 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1tvi s LEU 38 CO 0.03 -0.86 -0.01 0.68 0.23 0.00 0.00 176.35 176.42 1tvi s VAL 39 N 3.42 0.14 0.00 -1.59 -7.23 -0.61 -1.63 120.40 112.90 1tvi s VAL 39 Ca 0.36 -0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 1tvi s VAL 39 Cb -0.12 -0.14 0.00 0.00 0.56 0.00 0.00 36.38 36.68 1tvi s VAL 39 CO 0.20 0.05 0.00 -1.20 -0.31 0.00 0.00 175.10 173.84 1tvi n SER 40 N 3.20 -0.21 0.02 4.85 7.64 -1.26 -3.69 113.62 124.16 1tvi n SER 40 Ca -0.15 -0.39 -0.12 0.00 1.01 0.00 0.00 58.87 59.23 1tvi n SER 40 Cb 0.58 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.69 1tvi n SER 40 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1tvi h GLU 41 N 0.00 -0.11 0.00 1.43 4.81 -1.94 0.31 114.58 119.08 1tvi h GLU 41 Ca 0.00 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1tvi h GLU 41 Cb 0.00 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1tvi h GLU 41 CO 0.00 0.41 -0.42 -0.44 -0.73 0.00 0.00 179.01 177.83 1tvi h ASP 42 N -0.74 0.00 0.54 1.04 3.32 -1.98 0.33 116.42 118.93 1tvi h ASP 42 Ca -0.01 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 1tvi h ASP 42 Cb 0.57 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1tvi h ASP 42 CO 0.02 0.42 -0.76 -0.33 -1.72 0.00 0.00 179.24 176.88 1tvi h GLU 43 N 0.00 0.17 0.00 3.56 4.39 -1.90 -3.15 114.58 117.64 1tvi h GLU 43 Ca -0.00 -0.15 -0.24 0.00 0.34 0.00 0.00 59.36 59.31 1tvi h GLU 43 Cb 0.93 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.57 1tvi h GLU 43 CO 0.05 0.84 -1.41 0.97 -1.16 0.00 0.00 179.01 178.30 1tvi h ILE 44 N 0.11 0.99 -0.66 3.13 2.10 -0.64 -2.92 117.51 119.63 1tvi h ILE 44 Ca -0.02 -2.72 0.14 0.00 1.08 0.00 0.00 64.86 63.33 1tvi h ILE 44 Cb 1.33 2.45 -0.12 0.00 -1.09 0.00 0.00 36.82 39.40 1tvi h ILE 44 CO 0.11 0.57 -0.05 0.50 -1.08 0.00 0.00 178.15 178.20 1tvi h LYS 45 N 0.00 0.07 0.01 2.19 3.11 -0.31 0.56 116.57 122.21 1tvi h LYS 45 Ca -0.18 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.63 1tvi h LYS 45 Cb 1.84 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 33.06 1tvi h LYS 45 CO 0.08 0.05 -0.09 0.93 -2.81 0.00 0.00 179.45 177.61 1tvi h GLU 46 N 0.07 0.03 -1.39 1.90 5.08 -1.68 -3.26 114.58 115.33 1tvi h GLU 46 Ca 0.34 -0.05 0.40 0.00 -1.00 0.00 0.00 59.36 59.05 1tvi h GLU 46 Cb 0.56 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 1tvi h GLU 46 CO -0.60 1.03 1.00 1.25 -1.00 0.00 0.00 179.01 180.68 1tvi h LEU 47 N -0.93 0.01 0.50 1.33 7.12 -1.21 1.62 115.31 123.74 1tvi h LEU 47 Ca -0.02 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.97 1tvi h LEU 47 Cb 1.07 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 1tvi h LEU 47 CO 0.02 -0.00 -0.24 -1.13 -0.13 0.00 0.00 178.44 176.95 1tvi h ASN 48 N 0.01 -0.57 0.91 1.25 -0.73 0.07 -3.02 115.58 113.50 1tvi h ASN 48 Ca 0.66 -0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.72 1tvi h ASN 48 Cb 2.65 0.15 -0.01 0.00 0.27 0.00 0.00 38.32 41.39 1tvi h ASN 48 CO -0.02 -0.23 -0.20 0.06 -0.37 0.00 0.00 177.43 176.68 1tvi h GLN 49 N -0.95 0.00 -0.59 6.67 3.07 0.82 0.13 115.11 124.25 1tvi h GLN 49 Ca -0.07 0.00 0.17 0.00 0.09 0.00 0.00 58.65 58.84 1tvi h GLN 49 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.14 1tvi h GLN 49 CO 0.11 0.20 0.69 1.96 0.09 0.00 0.00 178.83 181.88 1tvi h GLN 50 N 0.00 0.00 0.00 0.06 4.20 0.22 0.48 115.11 120.08 1tvi h GLN 50 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1tvi h GLN 50 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1tvi h GLN 50 CO 0.03 0.00 -0.52 1.19 -0.67 0.00 0.00 178.83 178.85 1tvi n PHE 51 N -3.53 -0.06 0.25 2.96 3.72 -1.10 -4.78 117.46 114.92 1tvi n PHE 51 Ca 0.12 0.01 0.13 0.00 -0.05 0.00 0.00 57.45 57.66 1tvi n PHE 51 Cb 0.90 0.23 0.54 0.00 -0.94 0.00 0.00 39.48 40.21 1tvi n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1tvi h ARG 52 N 0.00 0.00 0.00 -1.08 2.47 -0.77 -3.46 114.38 111.54 1tvi h ARG 52 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1tvi h ARG 52 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1tvi h ARG 52 CO 0.00 0.12 0.00 0.41 0.56 0.00 0.00 179.97 181.06 1tvi n GLY 53 N 0.15 0.97 3.79 0.04 0.00 0.17 -4.90 105.19 105.41 1tvi n GLY 53 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1tvi n GLY 53 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1tvi s GLN 54 N -0.21 3.92 -0.63 1.61 -2.07 -1.26 -4.79 119.66 116.23 1tvi s GLN 54 Ca 0.00 -0.02 -0.18 0.00 -1.82 0.00 0.00 55.36 53.34 1tvi s GLN 54 Cb 0.00 -3.32 0.12 0.00 -1.09 0.00 0.00 33.01 28.72 1tvi s GLN 54 CO 0.00 0.50 0.71 0.34 -1.32 0.00 0.00 175.29 175.51 1tvi s ASP 55 N -0.27 6.26 -0.29 12.60 2.15 -1.26 -1.59 116.67 134.27 1tvi s ASP 55 Ca 0.15 -1.63 -0.19 0.00 0.43 0.00 0.00 52.55 51.31 1tvi s ASP 55 Cb -0.13 -2.29 0.17 0.00 -0.30 0.00 0.00 42.92 40.38 1tvi s ASP 55 CO 0.04 -1.03 1.17 0.00 -0.17 0.00 0.00 175.17 175.18 1tvi s ARG 56 N 2.31 0.21 0.92 4.34 1.04 -1.26 -5.06 118.95 121.45 1tvi s ARG 56 Ca 0.12 0.33 -0.13 0.00 -1.04 0.00 0.00 55.73 55.01 1tvi s ARG 56 Cb -0.23 0.06 0.14 0.00 -2.04 0.00 0.00 34.95 32.89 1tvi s ARG 56 CO 0.03 -0.04 1.14 -1.25 -0.04 0.00 0.00 175.30 175.15 1tvi s PRO 57 N 0.85 1.07 0.24 3.89 0.04 -1.26 -4.79 135.00 135.04 1tvi s PRO 57 Ca -0.04 0.26 -0.22 0.00 0.04 0.00 0.00 61.00 61.04 1tvi s PRO 57 Cb -0.04 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.70 1tvi s PRO 57 CO -0.12 -2.24 0.73 -0.08 0.04 0.00 0.00 177.00 175.33 1tvi s THR 58 N -3.29 0.00 0.01 1.26 -1.32 -1.26 -5.08 115.64 105.96 1tvi s THR 58 Ca 0.64 -0.79 -0.07 0.00 -1.21 0.00 0.00 61.69 60.26 1tvi s THR 58 Cb -0.14 -1.83 -0.04 0.00 -1.51 0.00 0.00 72.50 68.98 1tvi s THR 58 CO 0.53 0.00 1.08 0.44 -2.21 0.00 0.00 174.62 174.47 1tvi h ASP 59 N 2.00 -0.21 -3.70 8.08 5.19 -1.96 -3.45 116.42 122.37 1tvi h ASP 59 Ca -0.22 0.01 -0.32 0.00 -0.62 0.00 0.00 57.03 55.88 1tvi h ASP 59 Cb 1.26 0.05 -0.31 0.00 0.18 0.00 0.00 39.33 40.51 1tvi h ASP 59 CO 0.26 -0.15 -0.75 0.54 -3.12 0.00 0.00 179.24 176.02 1tvi s VAL 60 N -3.51 0.25 -0.15 -1.35 0.11 -1.26 -3.90 120.40 110.59 1tvi s VAL 60 Ca -0.04 -0.06 -0.14 0.00 -2.93 0.00 0.00 61.98 58.81 1tvi s VAL 60 Cb 0.00 -0.27 -0.05 0.00 -1.53 0.00 0.00 36.38 34.54 1tvi s VAL 60 CO 0.11 0.11 0.33 -0.76 -3.33 0.00 0.00 175.10 171.55 1tvi s LEU 61 N 0.37 4.26 0.07 2.54 1.02 -0.32 -5.01 118.68 121.60 1tvi s LEU 61 Ca -0.04 0.57 0.04 0.00 0.02 0.00 0.00 54.13 54.73 1tvi s LEU 61 Cb -0.07 -2.43 -0.04 0.00 0.02 0.00 0.00 46.19 43.68 1tvi s LEU 61 CO -0.01 0.10 -0.00 -0.89 0.02 0.00 0.00 176.35 175.56 1tvi s THR 62 N 0.41 4.02 0.59 5.49 2.01 -1.26 -0.55 115.64 126.35 1tvi s THR 62 Ca 0.18 -0.90 -0.14 0.00 0.31 0.00 0.00 61.69 61.14 1tvi s THR 62 Cb -0.13 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 1tvi s THR 62 CO 0.05 0.18 1.02 0.12 -0.69 0.00 0.00 174.62 175.31 1tvi s PHE 63 N -1.25 3.37 -0.44 4.92 5.36 -1.25 -4.93 117.98 123.77 1tvi s PHE 63 Ca 0.24 1.41 -0.29 0.00 -0.96 0.00 0.00 56.93 57.34 1tvi s PHE 63 Cb -0.12 -2.82 0.01 0.00 -0.34 0.00 0.00 43.02 39.75 1tvi s PHE 63 CO 0.16 -0.73 1.42 -1.25 -1.46 0.00 0.00 175.22 173.37 1tvi s PRO 64 N -4.56 3.51 0.00 10.12 0.04 -1.26 -3.86 135.00 138.99 1tvi s PRO 64 Ca 0.58 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1tvi s PRO 64 Cb -0.12 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1tvi s PRO 64 CO 0.43 -1.66 0.00 1.47 0.04 0.00 0.00 177.00 177.28 1tvi n LEU 65 N 9.04 0.00 -3.15 -3.56 -0.00 -1.26 -5.05 117.00 113.02 1tvi n LEU 65 Ca 0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 56.05 1tvi n LEU 65 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 1tvi n LEU 65 CO 0.71 0.00 -0.11 0.80 -0.00 0.00 0.00 177.39 178.79 1tvi n MET 66 N 0.00 -0.66 -3.71 1.47 1.56 -1.25 -4.91 117.12 109.62 1tvi n MET 66 Ca 0.00 0.24 -0.23 0.00 -0.27 0.00 0.00 57.70 57.45 1tvi n MET 66 Cb 0.00 -0.88 -0.03 0.00 2.15 0.00 0.00 33.22 34.46 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 -1.56 1.00 -0.13 2.12 1.02 -1.26 -5.00 120.64 116.83 1tvi n GLU 67 Ca -0.13 -2.70 0.19 0.00 -0.02 0.00 0.00 57.16 54.50 1tvi n GLU 67 Cb 0.29 0.56 0.59 0.00 -0.02 0.00 0.00 31.44 32.86 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 0.23 -2.59 3.49 4.81 -1.91 -3.24 114.58 115.38 1tvi h GLU 68 Ca -0.30 -0.01 -0.59 0.00 -0.13 0.00 0.00 59.36 58.33 1tvi h GLU 68 Cb 0.96 -0.05 -0.39 0.00 0.63 0.00 0.00 28.75 29.89 1tvi h GLU 68 CO 0.48 0.15 -0.87 0.16 -0.73 0.00 0.00 179.01 178.21 1tvi s ASP 69 N -5.93 2.60 0.26 1.04 1.47 -1.26 -3.21 116.67 111.64 1tvi s ASP 69 Ca -0.07 -2.66 -0.06 0.00 1.18 0.00 0.00 52.55 50.94 1tvi s ASP 69 Cb 0.21 -0.57 0.47 0.00 -0.34 0.00 0.00 42.92 42.69 1tvi s ASP 69 CO 0.76 -0.24 1.45 0.55 0.68 0.00 0.00 175.17 178.37 1tvi n VAL 70 N 3.42 -0.39 -2.61 2.11 3.14 -1.22 -4.64 118.33 118.14 1tvi n VAL 70 Ca 0.18 2.12 -0.08 0.00 -2.96 0.00 0.00 64.34 63.59 1tvi n VAL 70 Cb 0.40 -2.95 -0.02 0.00 -1.06 0.00 0.00 33.84 30.22 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 -5.49 -1.50 -1.06 1.45 9.36 -1.26 -4.78 117.16 113.88 1tvi n TYR 71 Ca 0.16 0.14 0.00 0.00 3.32 0.00 0.00 57.90 61.51 1tvi n TYR 71 Cb 0.50 -1.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.21 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 -0.55 5.13 3.08 2.98 0.00 -1.26 -4.92 105.19 109.66 1tvi n GLY 72 Ca 0.02 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 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 3.41 2.71 -0.12 1.61 -1.05 -1.26 -1.43 118.70 122.57 1tvi s GLU 73 Ca 0.00 -0.72 -0.03 0.00 -0.15 0.00 0.00 54.97 54.07 1tvi s GLU 73 Cb 0.00 -2.37 -0.03 0.00 -0.44 0.00 0.00 34.13 31.29 1tvi s GLU 73 CO 0.00 -0.20 -0.01 -1.50 0.95 0.00 0.00 175.26 174.49 1tvi s ILE 74 N 1.33 4.15 -0.06 1.83 2.07 0.28 -3.82 121.20 126.97 1tvi s ILE 74 Ca 0.04 -0.29 -0.11 0.00 -1.41 0.00 0.00 60.65 58.88 1tvi s ILE 74 Cb -0.13 -2.78 -0.05 0.00 0.13 0.00 0.00 42.46 39.63 1tvi s ILE 74 CO -0.11 0.54 0.27 -0.31 -1.91 0.00 0.00 174.94 173.42 1tvi s TYR 75 N -0.24 3.66 0.07 3.50 1.51 0.29 -0.61 117.35 125.53 1tvi s TYR 75 Ca 0.05 0.75 0.03 0.00 -1.01 0.00 0.00 57.07 56.90 1tvi s TYR 75 Cb -0.13 -2.12 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 1tvi s TYR 75 CO 0.02 0.68 -0.10 0.08 -1.11 0.00 0.00 175.55 175.12 1tvi s VAL 76 N -0.99 0.79 -0.25 0.71 1.01 -0.07 -1.18 120.40 120.42 1tvi s VAL 76 Ca 0.19 -1.33 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 1tvi s VAL 76 Cb -0.14 -0.98 0.10 0.00 0.00 0.00 0.00 36.38 35.36 1tvi s VAL 76 CO 0.08 -0.42 0.18 0.00 0.00 0.00 0.00 175.10 174.95 1tvi n PRO 78 N 5.29 0.75 0.01 0.00 -0.04 -1.26 -2.99 135.00 136.75 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 0.46 -1.29 -0.08 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.10 -0.11 1.53 7.12 -1.92 -0.83 115.31 121.01 1tvi h LEU 79 Ca 0.00 -0.48 -0.24 0.00 0.13 0.00 0.00 57.88 57.28 1tvi h LEU 79 Cb 0.00 0.03 0.01 0.00 -0.53 0.00 0.00 40.66 40.17 1tvi h LEU 79 CO 0.00 0.53 -0.97 0.40 -0.13 0.00 0.00 178.44 178.27 1tvi h ILE 80 N -0.86 1.34 0.70 4.05 5.03 -1.87 -1.25 117.51 124.66 1tvi h ILE 80 Ca -0.01 -2.32 -0.03 0.00 -0.12 0.00 0.00 64.86 62.37 1tvi h ILE 80 Cb 0.58 2.37 0.01 0.00 -3.03 0.00 0.00 36.82 36.74 1tvi h ILE 80 CO 0.02 0.71 -0.34 0.58 -0.68 0.00 0.00 178.15 178.43 1tvi h VAL 81 N 0.32 0.30 -0.30 1.67 2.07 -1.65 -0.43 116.25 118.22 1tvi h VAL 81 Ca -0.10 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1tvi h VAL 81 Cb 1.61 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1tvi h VAL 81 CO 0.18 0.00 0.16 1.05 0.02 0.00 0.00 177.57 178.98 1tvi h GLU 82 N -0.95 0.33 -0.83 1.57 4.11 -1.22 0.20 114.58 117.79 1tvi h GLU 82 Ca -0.10 -0.02 0.20 0.00 0.07 0.00 0.00 59.36 59.52 1tvi h GLU 82 Cb 0.74 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 1tvi h GLU 82 CO 0.15 0.22 0.57 1.49 0.07 0.00 0.00 179.01 181.51 1tvi h GLU 83 N 0.34 0.23 0.07 1.06 4.57 -1.07 0.74 114.58 120.52 1tvi h GLU 83 Ca 0.12 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.19 1tvi h GLU 83 Cb 0.02 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1tvi h GLU 83 CO -0.07 0.15 -0.41 -0.91 -1.18 0.00 0.00 179.01 176.59 1tvi h ASN 84 N 0.24 0.25 -0.06 1.04 2.35 0.18 -3.23 115.58 116.35 1tvi h ASN 84 Ca 0.41 -0.95 0.02 0.00 -0.55 0.00 0.00 56.30 55.23 1tvi h ASN 84 Cb 1.25 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.54 1tvi h ASN 84 CO -0.10 1.18 0.05 0.00 -1.65 0.00 0.00 177.43 176.92 1tvi h ALA 85 N 0.07 1.86 -0.85 -0.83 0.00 0.11 0.26 119.26 119.88 1tvi h ALA 85 Ca -0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1tvi h ALA 85 Cb 1.31 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1tvi h ALA 85 CO 0.08 -0.08 0.50 0.00 0.00 0.00 0.00 179.25 179.75 1tvi h ARG 86 N 0.00 1.16 0.00 0.00 3.08 0.40 1.98 114.38 121.00 1tvi h ARG 86 Ca 0.03 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1tvi h ARG 86 Cb 0.13 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 1tvi h ARG 86 CO -0.00 0.83 -0.51 1.05 -1.07 0.00 0.00 179.97 180.26 1tvi h GLU 87 N 1.17 0.00 -0.50 0.04 4.11 -1.16 -3.23 114.58 115.01 1tvi h GLU 87 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.73 1tvi h GLU 87 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1tvi h GLU 87 CO -0.05 0.10 0.00 0.34 0.07 0.00 0.00 179.01 179.47 1tvi n PHE 88 N -2.97 0.99 -2.67 2.06 7.35 -0.08 -4.93 117.46 117.21 1tvi n PHE 88 Ca 0.01 -0.60 -0.08 0.00 -0.76 0.00 0.00 57.45 56.03 1tvi n PHE 88 Cb 0.60 -0.15 -0.01 0.00 0.35 0.00 0.00 39.48 40.27 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 0.75 -1.04 -4.88 -2.13 5.15 0.64 -4.83 115.26 108.92 1tvi n ASN 89 Ca 0.20 0.13 -0.30 0.00 -0.60 0.00 0.00 54.58 54.02 1tvi n ASN 89 Cb 0.70 -1.00 -0.02 0.00 -0.53 0.00 0.00 39.78 38.93 1tvi n ASN 89 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1tvi s ASN 90 N -2.02 6.45 -0.81 1.20 2.47 0.52 -4.99 114.94 117.75 1tvi s ASN 90 Ca 0.15 1.11 -0.26 0.00 0.42 0.00 0.00 52.86 54.28 1tvi s ASN 90 Cb -0.09 -2.32 0.04 0.00 -1.45 0.00 0.00 41.25 37.43 1tvi s ASN 90 CO 0.19 -0.47 1.32 0.42 -3.72 0.00 0.00 177.10 174.83 1tvi s THR 91 N -2.50 3.78 0.55 -5.21 -4.23 -1.26 -4.65 115.64 102.12 1tvi s THR 91 Ca 0.51 0.10 0.43 0.00 -1.18 0.00 0.00 61.69 61.55 1tvi s THR 91 Cb -0.10 -4.95 0.64 0.00 1.34 0.00 0.00 72.50 69.42 1tvi s THR 91 CO 0.36 -1.87 1.70 0.15 -0.54 0.00 0.00 174.62 174.41 1tvi h PHE 92 N 9.96 0.02 -0.19 3.99 3.57 -1.92 0.71 116.94 133.08 1tvi h PHE 92 Ca -0.16 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 1tvi h PHE 92 Cb 1.04 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 1tvi h PHE 92 CO 1.16 -0.00 0.12 1.05 -2.23 0.00 0.00 178.31 178.41 1tvi h GLU 93 N 0.01 0.26 -0.28 1.11 4.11 -1.93 0.38 114.58 118.23 1tvi h GLU 93 Ca 0.74 -0.02 -0.06 0.00 0.07 0.00 0.00 59.36 60.08 1tvi h GLU 93 Cb 2.95 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 32.13 1tvi h GLU 93 CO -0.02 0.21 -0.07 -0.22 0.07 0.00 0.00 179.01 178.97 1tvi h LYS 94 N 0.24 0.54 -0.92 1.06 3.11 -0.00 0.82 116.57 121.42 1tvi h LYS 94 Ca 0.07 -0.21 0.06 0.00 -2.81 0.00 0.00 60.65 57.76 1tvi h LYS 94 Cb 0.01 -0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.15 1tvi h LYS 94 CO -0.01 0.75 0.58 1.49 -2.81 0.00 0.00 179.45 179.45 1tvi h GLU 95 N 0.30 1.03 0.09 1.90 4.22 -1.02 -0.33 114.58 120.76 1tvi h GLU 95 Ca 0.07 -0.06 -0.27 0.00 0.08 0.00 0.00 59.36 59.18 1tvi h GLU 95 Cb 0.56 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1tvi h GLU 95 CO 0.03 0.68 -1.15 1.25 -2.18 0.00 0.00 179.01 177.63 1tvi h LEU 96 N 1.06 0.64 -2.04 1.64 7.12 -0.06 -3.11 115.31 120.56 1tvi h LEU 96 Ca 0.40 -0.59 0.10 0.00 0.13 0.00 0.00 57.88 57.91 1tvi h LEU 96 Cb 0.16 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.08 1tvi h LEU 96 CO -0.17 1.42 0.25 -0.07 -0.13 0.00 0.00 178.44 179.74 1tvi h LEU 97 N 0.20 0.00 0.42 2.25 4.07 0.16 -1.60 115.31 120.81 1tvi h LEU 97 Ca -0.14 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.80 1tvi h LEU 97 Cb 1.83 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.57 1tvi h LEU 97 CO 0.21 0.00 -0.20 -0.33 -1.08 0.00 0.00 178.44 177.03 1tvi h GLU 98 N 0.00 -0.55 -0.16 1.13 5.08 -1.02 -0.62 114.58 118.45 1tvi h GLU 98 Ca 0.16 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 1tvi h GLU 98 Cb 0.66 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1tvi h GLU 98 CO -0.00 -0.24 0.26 -0.39 -1.00 0.00 0.00 179.01 177.64 1tvi h VAL 99 N -0.88 0.27 0.22 3.13 -1.51 -1.37 1.34 116.25 117.44 1tvi h VAL 99 Ca -0.06 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.40 1tvi h VAL 99 Cb 0.56 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1tvi h VAL 99 CO 0.10 0.00 -0.10 0.58 -1.23 0.00 0.00 177.57 176.91 1tvi h VAL 100 N 0.00 0.29 0.00 7.19 2.07 -0.93 -3.22 116.25 121.66 1tvi h VAL 100 Ca 0.07 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1tvi h VAL 100 Cb 0.59 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1tvi h VAL 100 CO -0.00 0.08 0.00 0.16 0.02 0.00 0.00 177.57 177.83 1tvi h ILE 101 N -1.03 0.00 -0.96 4.57 3.07 -0.00 -2.75 117.51 120.41 1tvi h ILE 101 Ca -0.03 -0.28 0.17 0.00 1.55 0.00 0.00 64.86 66.28 1tvi h ILE 101 Cb 0.36 1.07 -0.09 0.00 -0.27 0.00 0.00 36.82 37.89 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 0.91 0.11 0.16 2.76 0.17 2.68 115.15 121.94 1tvi h HIS 102 Ca 0.00 0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.03 1tvi h HIS 102 Cb 0.36 -0.28 0.02 0.00 1.55 0.00 0.00 27.41 29.05 1tvi h HIS 102 CO 0.00 0.27 -0.73 0.78 -1.30 0.00 0.00 177.93 176.94 1tvi h GLY 103 N 0.71 0.34 0.70 5.26 0.00 -1.60 -2.77 103.07 105.71 1tvi h GLY 103 Ca 0.51 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1tvi h GLY 103 CO -0.28 0.72 -0.17 -2.22 0.00 0.00 0.00 176.54 174.59 1tvi h ILE 104 N -0.36 0.62 -0.97 2.60 2.04 -1.33 -2.77 117.51 117.33 1tvi h ILE 104 Ca -0.12 -0.52 0.23 0.00 1.00 0.00 0.00 64.86 65.45 1tvi h ILE 104 Cb 1.55 0.86 -0.08 0.00 -0.74 0.00 0.00 36.82 38.41 1tvi h ILE 104 CO 0.14 0.09 0.63 0.17 0.00 0.00 0.00 178.15 179.19 1tvi h LEU 105 N -0.79 0.46 0.26 1.44 8.10 0.45 0.23 115.31 125.47 1tvi h LEU 105 Ca -0.05 0.06 -0.01 0.00 0.11 0.00 0.00 57.88 58.00 1tvi h LEU 105 Cb 0.52 -0.02 -0.02 0.00 -0.44 0.00 0.00 40.66 40.70 1tvi h LEU 105 CO 0.08 0.15 -0.31 0.45 -4.11 0.00 0.00 178.44 174.70 1tvi h HIS 106 N 0.44 -0.87 -0.09 0.17 3.86 -1.21 0.21 115.15 117.66 1tvi h HIS 106 Ca 0.53 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.78 1tvi h HIS 106 Cb 1.28 0.35 -0.00 0.00 1.06 0.00 0.00 27.41 30.09 1tvi h HIS 106 CO -0.00 -0.40 0.06 1.37 0.86 0.00 0.00 177.93 179.82 1tvi h LEU 107 N -0.58 0.01 -1.70 2.43 8.10 -1.05 0.24 115.31 122.76 1tvi h LEU 107 Ca -0.03 -0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.92 1tvi h LEU 107 Cb 0.52 -0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.73 1tvi h LEU 107 CO -0.07 0.01 -0.18 0.00 -4.11 0.00 0.00 178.44 174.09 1tvi h ALA 108 N 1.95 1.53 0.00 0.17 0.00 0.55 -3.46 119.26 120.01 1tvi h ALA 108 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1tvi h ALA 108 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1tvi h ALA 108 CO -0.00 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1tvi n GLY 109 N -0.86 2.40 1.16 0.00 0.00 0.85 -5.05 105.19 103.68 1tvi n GLY 109 Ca -0.02 -1.66 -0.01 0.00 0.00 0.00 0.00 46.02 44.33 1tvi n GLY 109 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1tvi n TYR 110 N 1.52 -0.76 -1.64 1.61 4.11 -1.26 -4.78 117.16 115.96 1tvi n TYR 110 Ca 0.00 -0.37 -0.45 0.00 -0.00 0.00 0.00 57.90 57.08 1tvi n TYR 110 Cb 0.00 0.18 -0.02 0.00 -0.00 0.00 0.00 39.34 39.50 1tvi n TYR 110 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1tvi n ASP 111 N -0.76 2.13 -4.54 9.48 -0.08 -1.26 -4.75 116.55 116.77 1tvi n ASP 111 Ca -0.00 1.17 -0.40 0.00 -1.51 0.00 0.00 54.79 54.04 1tvi n ASP 111 Cb 0.17 -1.37 -0.05 0.00 2.34 0.00 0.00 41.12 42.22 1tvi n ASP 111 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1tvi n HIS 112 N 0.99 1.50 -2.16 -0.67 -0.00 -1.26 -4.07 115.22 109.55 1tvi n HIS 112 Ca 0.10 0.11 0.00 0.00 -0.00 0.00 0.00 57.72 57.92 1tvi n HIS 112 Cb 0.32 -2.62 0.00 0.00 -0.00 0.00 0.00 29.99 27.69 1tvi n HIS 112 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1tvi n GLU 113 N 8.78 -5.36 -3.31 1.57 0.00 -1.26 -4.95 120.64 116.11 1tvi n GLU 113 Ca 0.39 3.84 -0.26 0.00 0.00 0.00 0.00 57.16 61.13 1tvi n GLU 113 Cb 0.43 -4.40 -0.07 0.00 0.00 0.00 0.00 31.44 27.39 1tvi n GLU 113 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1tvi n PHE 114 N 1.85 2.68 -2.44 4.31 7.35 -1.26 -5.08 117.46 124.87 1tvi n PHE 114 Ca 0.00 -4.00 -0.42 0.00 -0.76 0.00 0.00 57.45 52.27 1tvi n PHE 114 Cb 0.00 -0.50 -0.03 0.00 0.35 0.00 0.00 39.48 39.30 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 -2.30 4.38 0.16 -4.13 2.56 -1.26 -4.76 118.70 113.35 1tvi s GLU 115 Ca 0.40 1.72 0.00 0.00 0.00 0.00 0.00 54.97 57.09 1tvi s GLU 115 Cb 0.18 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.81 1tvi s GLU 115 CO -0.05 -0.39 0.00 -3.47 -0.56 0.00 0.00 175.26 170.79 1tvi n ASP 116 N 4.79 -2.18 -4.53 -1.70 2.03 -1.26 -4.81 116.55 108.88 1tvi n ASP 116 Ca 0.10 0.45 -0.42 0.00 0.52 0.00 0.00 54.79 55.44 1tvi n ASP 116 Cb 0.46 -0.95 -0.07 0.00 -0.72 0.00 0.00 41.12 39.83 1tvi n ASP 116 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1tvi s LYS 117 N -3.90 3.40 0.37 -0.67 2.36 -1.26 -4.67 119.74 115.36 1tvi s LYS 117 Ca 0.00 -0.30 0.00 0.00 -2.55 0.00 0.00 55.97 53.12 1tvi s LYS 117 Cb 0.00 -3.89 0.00 0.00 -1.05 0.00 0.00 37.83 32.89 1tvi s LYS 117 CO 0.00 -0.85 0.00 -1.71 1.55 0.00 0.00 175.35 174.34 1tvi n ASN 118 N 6.01 -2.71 -4.60 1.43 5.15 -1.26 -5.10 115.26 114.18 1tvi n ASN 118 Ca -0.03 0.69 -0.61 0.00 -0.60 0.00 0.00 54.58 54.02 1tvi n ASN 118 Cb 0.48 2.62 -0.08 0.00 -0.53 0.00 0.00 39.78 42.27 1tvi n ASN 118 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1tvi n SER 119 N -3.32 0.59 -0.01 1.20 2.88 -1.26 -4.85 113.62 108.84 1tvi n SER 119 Ca 0.00 1.16 -0.16 0.00 -1.33 0.00 0.00 58.87 58.54 1tvi n SER 119 Cb 0.00 -0.93 -0.13 0.00 -0.75 0.00 0.00 64.21 62.40 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 3.92 0.17 -0.97 -1.46 3.64 -1.99 -2.74 116.57 117.13 1tvi h LYS 120 Ca -0.48 -0.24 0.06 0.00 -1.27 0.00 0.00 60.65 58.72 1tvi h LYS 120 Cb 1.40 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 33.24 1tvi h LYS 120 CO 0.78 1.06 0.63 1.05 -2.27 0.00 0.00 179.45 180.70 1tvi h GLU 121 N -0.61 1.11 -0.26 1.90 9.09 -2.01 -2.00 114.58 121.80 1tvi h GLU 121 Ca -0.06 -0.07 -0.02 0.00 0.05 0.00 0.00 59.36 59.26 1tvi h GLU 121 Cb 1.22 -0.25 -0.01 0.00 -1.65 0.00 0.00 28.75 28.06 1tvi h GLU 121 CO 0.07 0.73 0.06 1.98 0.05 0.00 0.00 179.01 181.90 1tvi h MET 122 N 1.14 0.41 -0.91 1.06 4.05 -1.94 -2.73 114.93 116.00 1tvi h MET 122 Ca 0.42 -0.10 0.16 0.00 -0.28 0.00 0.00 59.70 59.90 1tvi h MET 122 Cb 0.16 -0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 30.83 1tvi h MET 122 CO -0.16 0.51 0.59 0.35 0.23 0.00 0.00 176.91 178.42 1tvi h PHE 123 N 0.24 0.81 -0.81 1.39 3.04 -1.06 0.11 116.94 120.67 1tvi h PHE 123 Ca 0.08 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.02 1tvi h PHE 123 Cb 0.28 -0.25 -0.04 0.00 2.56 0.00 0.00 35.95 38.50 1tvi h PHE 123 CO 0.01 0.27 0.37 0.93 -2.02 0.00 0.00 178.31 177.87 1tvi h GLU 124 N 0.66 1.18 0.30 1.11 5.08 -1.12 0.09 114.58 121.88 1tvi h GLU 124 Ca 0.47 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1tvi h GLU 124 Cb 0.82 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1tvi h GLU 124 CO -0.23 0.93 -0.34 0.87 -1.00 0.00 0.00 179.01 179.24 1tvi h LYS 125 N 1.17 -0.65 0.00 2.33 1.79 -0.62 0.16 116.57 120.74 1tvi h LYS 125 Ca 0.28 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.78 1tvi h LYS 125 Cb 0.15 0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1tvi h LYS 125 CO -0.03 -0.44 -0.07 -0.56 -1.08 0.00 0.00 179.45 177.27 1tvi h GLN 126 N -0.68 0.00 -0.18 3.15 3.07 -1.27 -0.48 115.11 118.71 1tvi h GLN 126 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.62 1tvi h GLN 126 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.18 1tvi h GLN 126 CO -0.09 0.07 -0.34 0.87 0.09 0.00 0.00 178.83 179.44 1tvi h LYS 127 N 0.00 0.37 0.71 0.06 1.79 0.43 0.28 116.57 120.20 1tvi h LYS 127 Ca -0.00 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.28 1tvi h LYS 127 Cb 0.14 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1tvi h LYS 127 CO 0.01 0.67 -0.42 -0.22 -1.08 0.00 0.00 179.45 178.41 1tvi h LYS 128 N 0.32 -1.01 -0.59 3.15 3.64 0.97 0.20 116.57 123.25 1tvi h LYS 128 Ca 0.04 0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1tvi h LYS 128 Cb 0.76 0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1tvi h LYS 128 CO 0.06 -0.67 0.10 1.88 -2.27 0.00 0.00 179.45 178.55 1tvi h TYR 129 N -1.05 0.99 0.11 1.91 0.05 -1.51 -1.89 116.97 115.57 1tvi h TYR 129 Ca -0.10 -0.12 0.02 0.00 0.05 0.00 0.00 58.73 58.59 1tvi h TYR 129 Cb 0.83 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 38.26 1tvi h TYR 129 CO -0.05 0.84 -0.29 0.28 -1.05 0.00 0.00 178.16 177.89 1tvi h VAL 130 N 0.89 0.36 0.00 -2.88 2.07 -0.28 1.61 116.25 118.02 1tvi h VAL 130 Ca 0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 1tvi h VAL 130 Cb 0.38 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1tvi h VAL 130 CO 0.01 0.00 -0.05 -0.33 0.02 0.00 0.00 177.57 177.22 1tvi h GLU 131 N -0.50 0.00 0.00 1.57 5.08 -0.46 2.36 114.58 122.63 1tvi h GLU 131 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1tvi h GLU 131 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1tvi h GLU 131 CO -0.18 0.05 -0.00 0.93 -1.00 0.00 0.00 179.01 178.81 1tvi h GLU 132 N 0.00 -0.00 -0.08 2.33 5.08 -0.05 -2.04 114.58 119.82 1tvi h GLU 132 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1tvi h GLU 132 Cb 0.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1tvi h GLU 132 CO 0.01 0.93 -0.58 0.28 -1.00 0.00 0.00 179.01 178.64 1tvi h VAL 133 N -0.98 1.36 0.00 3.13 2.07 0.26 -2.71 116.25 119.39 1tvi h VAL 133 Ca -0.00 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.61 1tvi h VAL 133 Cb 0.93 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1tvi h VAL 133 CO 0.00 0.58 0.00 1.87 0.02 0.00 0.00 177.57 180.04 1tvi n TRP 134 N -4.17 0.56 -0.03 1.57 -0.00 0.79 -2.53 117.44 113.63 1tvi n TRP 134 Ca -0.09 0.23 0.24 0.00 -0.00 0.00 0.00 57.50 57.89 1tvi n TRP 134 Cb 0.65 -0.87 0.69 0.00 -0.00 0.00 0.00 31.31 31.77 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 1.87 0.00 0.00 5.87 0.00 -1.02 1.61 103.07 111.40 1tvi h GLY 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1tvi h GLY 135 CO 0.00 0.00 -0.34 -2.09 0.00 0.00 0.00 176.54 174.11 1tvi h GLU 136 N 0.00 0.00 -0.15 4.80 4.81 -1.69 -3.35 114.58 119.00 1tvi h GLU 136 Ca 0.31 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.58 1tvi h GLU 136 Cb 1.59 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.97 1tvi h GLU 136 CO -0.00 0.00 0.31 -1.49 -0.73 0.00 0.00 179.01 177.09 1tvi h TRP 137 N -0.82 0.00 -0.44 0.92 4.06 -1.58 -0.67 115.95 117.43 1tvi h TRP 137 Ca 0.00 0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.04 1tvi h TRP 137 Cb 0.34 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 28.41 1tvi h TRP 137 CO -0.15 0.00 -0.17 0.00 -3.56 0.00 0.00 178.44 174.56 1tvi h ARG 138 N 0.00 -0.08 -0.17 0.49 3.08 0.22 0.77 114.38 118.70 1tvi h ARG 138 Ca 0.07 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.17 1tvi h ARG 138 Cb 0.68 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1tvi h ARG 138 CO -0.00 -0.05 0.49 0.77 -1.07 0.00 0.00 179.97 180.10 1tvi h SER 139 N -0.08 0.00 -2.64 7.04 0.02 -1.29 -2.45 113.55 114.15 1tvi h SER 139 Ca 0.21 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.55 1tvi h SER 139 Cb 0.41 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.53 1tvi h SER 139 CO -0.49 0.00 -0.65 -0.46 -1.14 0.00 0.00 176.83 174.08 1tvi n ASN 140 N -3.09 2.75 -2.50 3.07 0.23 0.27 -5.02 115.26 110.97 1tvi n ASN 140 Ca 0.02 -3.18 -0.05 0.00 -0.53 0.00 0.00 54.58 50.84 1tvi n ASN 140 Cb 0.58 -0.70 0.04 0.00 -2.08 0.00 0.00 39.78 37.61 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 1.63 -0.79 0.00 -0.53 -0.04 -0.92 -4.29 135.00 130.06 1tvi n PRO 141 Ca 0.24 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1tvi n PRO 141 Cb 0.39 -0.26 0.00 0.00 -0.04 0.00 0.00 33.50 33.60 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 -3.23 0.00 -3.63 3.54 2.88 -1.26 -4.63 113.62 107.29 1tvi n SER 142 Ca 0.03 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.59 1tvi n SER 142 Cb 0.10 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 0.00 0.23 -0.40 -1.46 2.02 -1.26 -4.82 118.70 113.01 1tvi s GLU 143 Ca 0.00 -0.13 -0.28 0.00 0.02 0.00 0.00 54.97 54.58 1tvi s GLU 143 Cb 0.00 0.08 -0.01 0.00 0.10 0.00 0.00 34.13 34.29 1tvi s GLU 143 CO 0.00 -0.11 1.75 0.34 0.02 0.00 0.00 175.26 177.26 1tvi s ASP 144 N -3.11 5.84 -0.25 -0.19 2.15 -1.26 -4.88 116.67 114.96 1tvi s ASP 144 Ca 0.17 1.02 -0.37 0.00 0.43 0.00 0.00 52.55 53.80 1tvi s ASP 144 Cb 0.05 -2.53 0.15 0.00 -0.30 0.00 0.00 42.92 40.30 1tvi s ASP 144 CO -0.05 -1.80 1.32 -0.55 -0.17 0.00 0.00 175.17 173.92 1tvi s SER 145 N 6.14 -0.06 -0.12 -0.34 0.15 -1.26 -5.10 113.70 113.12 1tvi s SER 145 Ca 0.74 0.00 -0.05 0.00 0.70 0.00 0.00 55.95 57.35 1tvi s SER 145 Cb -0.19 0.06 0.02 0.00 -1.71 0.00 0.00 66.02 64.20 1tvi s SER 145 CO 0.31 -0.10 0.09 -0.67 1.20 0.00 0.00 173.24 174.07 1tvi n ASP 146 N -0.02 -4.85 -3.36 5.45 2.03 -1.26 -4.66 116.55 109.87 1tvi n ASP 146 Ca 0.03 1.10 -0.33 0.00 0.52 0.00 0.00 54.79 56.11 1tvi n ASP 146 Cb 0.57 -3.49 -0.02 0.00 -0.72 0.00 0.00 41.12 37.46 1tvi n ASP 146 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1tvi n PRO 147 N 1.79 2.60 -3.82 -0.67 -0.04 -1.26 -4.58 135.00 129.02 1tvi n PRO 147 Ca -0.16 -1.90 -0.26 0.00 -0.04 0.00 0.00 63.50 61.13 1tvi n PRO 147 Cb 0.32 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 1tvi n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tvi n GLY 148 N 3.87 -1.27 3.42 0.55 0.00 -1.26 -4.83 105.19 105.66 1tvi n GLY 148 Ca 0.57 0.58 -0.45 0.00 0.00 0.00 0.00 46.02 46.72 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 -5.17 3.75 0.00 1.61 2.36 -1.26 -5.28 119.74 115.75 1tvi s LYS 149 Ca 0.04 -2.21 0.00 0.00 -2.55 0.00 0.00 55.97 51.26 1tvi s LYS 149 Cb -0.02 -4.80 0.00 0.00 -1.05 0.00 0.00 37.83 31.96 1tvi s LYS 149 CO 0.90 -1.61 0.00 2.89 1.55 0.00 0.00 175.35 179.08