#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 2.03 -0.19 2.02 1.09 -1.26 -3.56 121.20 121.33 1tvi s ILE 2 Ca 0.00 -1.03 -0.07 0.00 -1.10 0.00 0.00 60.65 58.45 1tvi s ILE 2 Cb 0.00 -1.73 -0.04 0.00 -1.06 0.00 0.00 42.46 39.63 1tvi s ILE 2 CO 0.00 0.56 0.05 -0.60 -0.10 0.00 0.00 174.94 174.85 1tvi s ARG 3 N 0.04 3.85 -0.37 2.79 3.52 -0.24 -5.00 118.95 123.54 1tvi s ARG 3 Ca -0.10 -0.40 -0.08 0.00 -0.13 0.00 0.00 55.73 55.02 1tvi s ARG 3 Cb -0.15 -3.20 0.05 0.00 -1.56 0.00 0.00 34.95 30.09 1tvi s ARG 3 CO 0.06 0.16 0.16 0.42 -0.81 0.00 0.00 175.30 175.29 1tvi s ILE 4 N 0.67 4.03 0.18 4.11 1.01 -1.26 -0.89 121.20 129.05 1tvi s ILE 4 Ca 0.03 -1.17 0.07 0.00 0.00 0.00 0.00 60.65 59.57 1tvi s ILE 4 Cb -0.13 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1tvi s ILE 4 CO 0.02 -0.28 -0.13 -1.48 0.00 0.00 0.00 174.94 173.06 1tvi s LEU 5 N 1.43 2.53 0.00 2.97 2.34 0.07 -4.97 118.68 123.04 1tvi s LEU 5 Ca 0.00 -0.99 0.00 0.00 0.06 0.00 0.00 54.13 53.20 1tvi s LEU 5 Cb -0.20 -0.58 0.00 0.00 -0.56 0.00 0.00 46.19 44.85 1tvi s LEU 5 CO 0.03 -0.20 0.00 0.61 -1.06 0.00 0.00 176.35 175.73 1tvi n GLY 6 N -0.21 -1.88 2.93 -3.48 0.00 -1.26 -1.23 105.19 100.06 1tvi n GLY 6 Ca -0.10 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 1tvi n GLY 6 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tvi s GLU 7 N 0.00 0.20 0.00 1.61 2.02 0.13 -4.66 118.70 118.00 1tvi s GLU 7 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.76 1tvi s GLU 7 Cb 0.00 -0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.14 1tvi s GLU 7 CO 0.00 0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.71 1tvi n GLY 8 N 2.61 4.43 3.34 -1.39 0.00 -1.26 -3.08 105.19 109.85 1tvi n GLY 8 Ca -0.16 -0.69 -0.61 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.82 0.00 0.00 1.61 4.81 -1.26 -3.27 118.16 119.24 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 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.56 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 6.58 0.49 0.11 3.14 0.00 -1.26 -4.75 105.19 109.50 1tvi n GLY 10 Ca 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.42 1tvi n GLY 10 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1tvi h SER 11 N 0.13 0.02 0.27 1.61 0.87 -1.96 0.28 113.55 114.76 1tvi h SER 11 Ca 0.00 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.45 1tvi h SER 11 Cb 0.00 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1tvi h SER 11 CO 0.00 0.04 -0.56 0.11 -0.53 0.00 0.00 176.83 175.89 1tvi h LYS 12 N 0.13 0.30 0.00 2.24 6.56 -1.94 -2.19 116.57 121.67 1tvi h LYS 12 Ca 0.10 -0.19 -0.04 0.00 -1.06 0.00 0.00 60.65 59.46 1tvi h LYS 12 Cb 0.09 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.77 1tvi h LYS 12 CO -0.13 0.78 -0.19 1.25 -2.06 0.00 0.00 179.45 179.11 1tvi h LEU 13 N 0.23 0.00 0.08 2.94 5.85 -1.72 -2.05 115.31 120.64 1tvi h LEU 13 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1tvi h LEU 13 Cb 1.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1tvi h LEU 13 CO 0.09 0.19 -0.04 0.25 -0.34 0.00 0.00 178.44 178.59 1tvi h LEU 14 N 0.00 -0.09 -1.86 2.25 7.12 -0.09 -3.12 115.31 119.52 1tvi h LEU 14 Ca -0.00 -0.51 0.01 0.00 0.13 0.00 0.00 57.88 57.51 1tvi h LEU 14 Cb 0.34 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.49 1tvi h LEU 14 CO 0.02 0.58 0.39 -0.33 -0.13 0.00 0.00 178.44 178.97 1tvi h GLU 15 N -0.87 0.00 -0.12 1.25 5.08 -1.16 1.10 114.58 119.85 1tvi h GLU 15 Ca -0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 1tvi h GLU 15 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1tvi h GLU 15 CO 0.02 0.00 -0.73 -0.91 -1.00 0.00 0.00 179.01 176.38 1tvi h ASN 16 N 0.00 0.69 -0.34 1.42 2.35 -1.31 -3.26 115.58 115.14 1tvi h ASN 16 Ca 0.02 -0.45 -0.26 0.00 -0.55 0.00 0.00 56.30 55.07 1tvi h ASN 16 Cb 0.81 -0.20 -0.23 0.00 0.05 0.00 0.00 38.32 38.74 1tvi h ASN 16 CO -0.00 1.21 -0.70 0.00 -1.65 0.00 0.00 177.43 176.29 1tvi n LEU 17 N -3.89 3.46 0.28 1.61 -0.00 0.28 -4.80 117.00 113.95 1tvi n LEU 17 Ca -0.05 -4.09 -0.15 0.00 -0.00 0.00 0.00 56.01 51.72 1tvi n LEU 17 Cb 0.72 -0.36 -0.08 0.00 -0.00 0.00 0.00 43.42 43.70 1tvi n LEU 17 CO 0.50 1.62 0.50 0.50 -0.00 0.00 0.00 177.39 180.51 1tvi h LYS 18 N 1.59 -0.70 0.00 1.47 3.64 0.76 -2.77 116.57 120.55 1tvi h LYS 18 Ca 0.13 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1tvi h LYS 18 Cb 1.30 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1tvi h LYS 18 CO 0.33 -0.40 -0.07 1.05 -2.27 0.00 0.00 179.45 178.10 1tvi h GLU 19 N -0.99 0.00 -0.53 1.90 4.11 -1.85 -1.17 114.58 116.05 1tvi h GLU 19 Ca -0.07 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.38 1tvi h GLU 19 Cb 0.63 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1tvi h GLU 19 CO 0.12 0.07 0.35 -0.22 0.07 0.00 0.00 179.01 179.40 1tvi h LYS 20 N 0.00 0.63 0.07 1.06 1.63 -1.82 -0.60 116.57 117.53 1tvi h LYS 20 Ca -0.00 -0.04 -0.24 0.00 -0.85 0.00 0.00 60.65 59.52 1tvi h LYS 20 Cb 0.20 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1tvi h LYS 20 CO 0.01 0.42 -1.12 -0.07 -3.45 0.00 0.00 179.45 175.24 1tvi h LEU 21 N 0.65 0.24 -2.62 5.20 3.38 -1.07 -3.14 115.31 117.94 1tvi h LEU 21 Ca 0.21 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1tvi h LEU 21 Cb 0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1tvi h LEU 21 CO -0.05 1.18 0.05 -0.33 0.09 0.00 0.00 178.44 179.38 1tvi h GLU 22 N 0.04 0.00 -0.01 1.13 5.08 -0.87 0.40 114.58 120.36 1tvi h GLU 22 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1tvi h GLU 22 Cb 1.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1tvi h GLU 22 CO 0.17 0.00 -0.04 0.93 -1.00 0.00 0.00 179.01 179.07 1tvi h GLU 23 N 0.00 0.05 -0.13 2.33 5.08 -1.36 0.55 114.58 121.09 1tvi h GLU 23 Ca 0.01 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 1tvi h GLU 23 Cb 0.11 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1tvi h GLU 23 CO -0.00 0.66 -0.58 -0.84 -1.00 0.00 0.00 179.01 177.25 1tvi h ILE 24 N -0.56 1.35 -0.02 3.13 3.07 -1.41 0.43 117.51 123.50 1tvi h ILE 24 Ca -0.00 -1.88 -0.00 0.00 1.55 0.00 0.00 64.86 64.52 1tvi h ILE 24 Cb 0.66 1.88 -0.00 0.00 -0.27 0.00 0.00 36.82 39.10 1tvi h ILE 24 CO 0.01 0.57 0.00 1.62 -1.05 0.00 0.00 178.15 179.30 1tvi h VAL 25 N 0.32 1.21 -0.39 0.16 3.04 -0.27 -1.11 116.25 119.21 1tvi h VAL 25 Ca -0.00 -0.62 -0.14 0.00 -1.01 0.00 0.00 66.70 64.93 1tvi h VAL 25 Cb 1.11 1.58 -0.01 0.00 -2.01 0.00 0.00 31.29 31.97 1tvi h VAL 25 CO 0.10 0.16 -0.32 0.50 -1.01 0.00 0.00 177.57 177.00 1tvi h LYS 26 N -0.21 0.87 0.13 4.17 3.64 -0.84 0.39 116.57 124.71 1tvi h LYS 26 Ca 0.01 -0.42 0.02 0.00 -1.27 0.00 0.00 60.65 58.99 1tvi h LYS 26 Cb 0.26 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 1tvi h LYS 26 CO 0.00 1.06 -0.46 -0.22 -2.27 0.00 0.00 179.45 177.57 1tvi h LYS 27 N 0.72 -0.67 0.54 1.90 3.64 0.01 -3.16 116.57 119.55 1tvi h LYS 27 Ca 0.07 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1tvi h LYS 27 Cb 0.89 0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1tvi h LYS 27 CO 0.08 -0.45 -0.26 1.49 -2.27 0.00 0.00 179.45 178.04 1tvi h GLU 28 N -0.69 -0.70 -0.29 1.90 4.57 -1.18 -3.46 114.58 114.72 1tvi h GLU 28 Ca 0.01 0.05 0.20 0.00 -1.18 0.00 0.00 59.36 58.44 1tvi h GLU 28 Cb 0.71 0.16 -0.19 0.00 -0.16 0.00 0.00 28.75 29.27 1tvi h GLU 28 CO -0.26 -0.46 -0.04 -1.50 -1.18 0.00 0.00 179.01 175.58 1tvi s ILE 29 N -3.99 -0.29 -0.56 2.32 1.10 0.13 -5.06 121.20 114.84 1tvi s ILE 29 Ca -0.11 0.00 -0.25 0.00 -0.51 0.00 0.00 60.65 59.78 1tvi s ILE 29 Cb 0.01 -0.27 -0.22 0.00 0.15 0.00 0.00 42.46 42.13 1tvi s ILE 29 CO 0.34 0.00 1.83 0.61 -2.11 0.00 0.00 174.94 175.61 1tvi n GLY 30 N 5.02 1.82 2.70 1.50 0.00 -0.42 -4.03 105.19 111.78 1tvi n GLY 30 Ca 0.09 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.93 1tvi n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tvi n ASP 31 N 8.49 -1.82 -3.87 1.61 2.03 -1.26 -4.95 116.55 116.78 1tvi n ASP 31 Ca 0.48 -2.59 -0.23 0.00 0.52 0.00 0.00 54.79 52.97 1tvi n ASP 31 Cb 0.41 1.29 -0.08 0.00 -0.72 0.00 0.00 41.12 42.02 1tvi n ASP 31 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1tvi s VAL 32 N 0.17 0.37 -0.27 5.18 0.11 -1.26 -5.14 120.40 119.57 1tvi s VAL 32 Ca 0.19 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 57.23 1tvi s VAL 32 Cb 0.30 -2.41 0.14 0.00 -1.53 0.00 0.00 36.38 32.88 1tvi s VAL 32 CO -0.08 0.00 0.36 -1.00 -3.33 0.00 0.00 175.10 171.05 1tvi s HIS 33 N -3.33 -0.76 -0.25 1.54 3.76 -1.26 -4.87 115.29 110.11 1tvi s HIS 33 Ca 0.30 0.38 -0.02 0.00 -0.15 0.00 0.00 55.06 55.58 1tvi s HIS 33 Cb 0.03 -0.18 0.03 0.00 1.11 0.00 0.00 32.58 33.56 1tvi s HIS 33 CO 0.19 -0.85 -0.06 0.08 -0.85 0.00 0.00 174.74 173.25 1tvi s VAL 34 N 2.49 2.88 -0.10 -0.90 1.01 -1.23 -3.32 120.40 121.22 1tvi s VAL 34 Ca 0.10 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1tvi s VAL 34 Cb -0.14 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1tvi s VAL 34 CO -0.24 0.18 -0.02 0.20 0.00 0.00 0.00 175.10 175.22 1tvi s ASN 35 N 1.32 5.06 -0.02 3.32 0.01 -0.58 -1.08 114.94 122.97 1tvi s ASN 35 Ca -0.00 0.05 0.03 0.00 -0.71 0.00 0.00 52.86 52.24 1tvi s ASN 35 Cb -0.17 -1.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.95 1tvi s ASN 35 CO -0.04 0.32 -0.10 -0.69 -1.51 0.00 0.00 177.10 175.08 1tvi s VAL 36 N -0.54 3.40 -0.31 1.60 1.01 -0.07 -0.11 120.40 125.39 1tvi s VAL 36 Ca 0.09 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1tvi s VAL 36 Cb -0.12 -2.42 0.07 0.00 0.00 0.00 0.00 36.38 33.90 1tvi s VAL 36 CO 0.02 0.47 0.01 -0.63 0.00 0.00 0.00 175.10 174.97 1tvi s ILE 37 N -0.89 2.73 -0.31 2.22 1.09 0.24 -0.75 121.20 125.52 1tvi s ILE 37 Ca 0.15 -1.68 -0.29 0.00 -1.10 0.00 0.00 60.65 57.73 1tvi s ILE 37 Cb -0.11 -2.69 0.01 0.00 -1.06 0.00 0.00 42.46 38.62 1tvi s ILE 37 CO 0.04 -0.24 1.13 -0.76 -0.10 0.00 0.00 174.94 175.01 1tvi s LEU 38 N 1.15 3.93 -0.04 2.97 1.43 -0.36 -0.62 118.68 127.14 1tvi s LEU 38 Ca -0.02 1.10 -0.03 0.00 -1.03 0.00 0.00 54.13 54.16 1tvi s LEU 38 Cb -0.20 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.49 1tvi s LEU 38 CO -0.03 -0.91 0.10 0.68 0.23 0.00 0.00 176.35 176.41 1tvi s VAL 39 N 3.78 -0.02 0.04 -1.59 -7.23 -0.69 0.21 120.40 114.90 1tvi s VAL 39 Ca 0.48 0.06 -0.01 0.00 -1.81 0.00 0.00 61.98 60.71 1tvi s VAL 39 Cb -0.13 -0.16 0.01 0.00 0.56 0.00 0.00 36.38 36.66 1tvi s VAL 39 CO 0.17 0.03 0.04 -0.24 -0.31 0.00 0.00 175.10 174.79 1tvi n SER 40 N 3.42 -0.34 0.17 4.85 2.88 -1.26 -4.00 113.62 119.33 1tvi n SER 40 Ca -0.17 -0.85 -0.14 0.00 -1.33 0.00 0.00 58.87 56.37 1tvi n SER 40 Cb 0.57 -0.03 -0.08 0.00 -0.75 0.00 0.00 64.21 63.92 1tvi n SER 40 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1tvi h GLU 41 N 0.00 -0.34 -0.03 -1.46 4.81 -1.95 0.38 114.58 116.00 1tvi h GLU 41 Ca -0.01 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1tvi h GLU 41 Cb 0.04 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1tvi h GLU 41 CO 0.01 -0.23 -0.00 0.22 -0.73 0.00 0.00 179.01 178.28 1tvi h ASP 42 N -0.35 0.05 -1.00 1.04 3.58 -1.97 1.13 116.42 118.90 1tvi h ASP 42 Ca -0.03 -0.34 0.18 0.00 0.42 0.00 0.00 57.03 57.26 1tvi h ASP 42 Cb 0.28 -0.01 -0.10 0.00 1.72 0.00 0.00 39.33 41.22 1tvi h ASP 42 CO 0.05 0.37 0.62 -0.33 -2.88 0.00 0.00 179.24 177.07 1tvi h GLU 43 N -0.28 0.74 0.03 0.28 5.08 -1.88 0.18 114.58 118.74 1tvi h GLU 43 Ca 0.01 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.07 1tvi h GLU 43 Cb 0.35 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1tvi h GLU 43 CO 0.00 0.49 -1.26 0.97 -1.00 0.00 0.00 179.01 178.21 1tvi h ILE 44 N 0.77 1.42 -0.64 3.13 2.10 -0.01 -2.46 117.51 121.81 1tvi h ILE 44 Ca 0.56 -3.13 0.13 0.00 1.08 0.00 0.00 64.86 63.50 1tvi h ILE 44 Cb 0.87 2.75 -0.11 0.00 -1.09 0.00 0.00 36.82 39.24 1tvi h ILE 44 CO -0.34 0.84 0.02 0.50 -1.08 0.00 0.00 178.15 178.09 1tvi h LYS 45 N 0.02 0.13 0.02 2.19 3.11 0.43 0.45 116.57 122.92 1tvi h LYS 45 Ca -0.12 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.69 1tvi h LYS 45 Cb 1.88 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 33.09 1tvi h LYS 45 CO 0.13 0.09 -0.10 0.93 -2.81 0.00 0.00 179.45 177.69 1tvi h GLU 46 N 0.14 0.04 -1.27 1.90 5.08 -1.43 -3.23 114.58 115.81 1tvi h GLU 46 Ca 0.34 -0.07 0.38 0.00 -1.00 0.00 0.00 59.36 59.01 1tvi h GLU 46 Cb 0.55 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.73 1tvi h GLU 46 CO -0.53 1.01 0.85 1.25 -1.00 0.00 0.00 179.01 180.59 1tvi h LEU 47 N -0.89 0.23 -0.33 1.33 7.12 -0.93 1.57 115.31 123.42 1tvi h LEU 47 Ca -0.02 0.08 -0.05 0.00 0.13 0.00 0.00 57.88 58.02 1tvi h LEU 47 Cb 1.06 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.23 1tvi h LEU 47 CO 0.02 -0.04 -0.01 -1.13 -0.13 0.00 0.00 178.44 177.15 1tvi h ASN 48 N 0.16 0.58 1.15 1.25 -0.73 -0.15 -2.60 115.58 115.23 1tvi h ASN 48 Ca 0.71 -0.31 -0.05 0.00 1.87 0.00 0.00 56.30 58.51 1tvi h ASN 48 Cb 2.29 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 40.72 1tvi h ASN 48 CO -0.26 0.75 -0.25 1.56 -0.37 0.00 0.00 177.43 178.87 1tvi h GLN 49 N 0.39 0.00 -0.20 6.67 4.20 0.19 1.80 115.11 128.15 1tvi h GLN 49 Ca 0.09 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.82 1tvi h GLN 49 Cb 0.46 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1tvi h GLN 49 CO 0.02 0.25 0.14 1.96 -0.67 0.00 0.00 178.83 180.52 1tvi h GLN 50 N 0.00 0.18 0.00 1.46 4.20 0.10 -2.12 115.11 118.93 1tvi h GLN 50 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1tvi h GLN 50 Cb 0.89 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1tvi h GLN 50 CO 0.03 0.12 -0.38 1.19 -0.67 0.00 0.00 178.83 179.12 1tvi n PHE 51 N -4.50 -0.39 0.33 2.96 3.72 -1.12 -4.76 117.46 113.70 1tvi n PHE 51 Ca 0.01 0.07 0.15 0.00 -0.05 0.00 0.00 57.45 57.63 1tvi n PHE 51 Cb 0.15 0.20 0.63 0.00 -0.94 0.00 0.00 39.48 39.52 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 -0.86 -1.08 2.47 0.25 -3.45 114.38 111.71 1tvi h ARG 52 Ca 0.00 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.49 1tvi h ARG 52 Cb 0.38 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.61 1tvi h ARG 52 CO 0.00 0.00 -0.21 0.41 0.56 0.00 0.00 179.97 180.73 1tvi n GLY 53 N -0.05 1.08 3.47 0.04 0.00 0.01 -4.84 105.19 104.91 1tvi n GLY 53 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.82 2.99 -0.77 1.61 -0.21 -1.24 -4.81 119.66 114.40 1tvi s GLN 54 Ca 0.00 -0.63 -0.18 0.00 0.02 0.00 0.00 55.36 54.56 1tvi s GLN 54 Cb 0.00 -2.58 0.13 0.00 1.00 0.00 0.00 33.01 31.56 1tvi s GLN 54 CO 0.00 0.46 0.90 0.34 -2.12 0.00 0.00 175.29 174.87 1tvi s ASP 55 N -0.28 6.45 -0.29 5.90 2.15 -1.26 -3.19 116.67 126.14 1tvi s ASP 55 Ca 0.03 -1.83 -0.19 0.00 0.43 0.00 0.00 52.55 50.99 1tvi s ASP 55 Cb -0.13 -2.34 0.18 0.00 -0.30 0.00 0.00 42.92 40.34 1tvi s ASP 55 CO 0.03 -1.04 1.19 0.00 -0.17 0.00 0.00 175.17 175.18 1tvi s ARG 56 N 2.40 0.19 0.89 4.34 1.04 -1.26 -5.12 118.95 121.42 1tvi s ARG 56 Ca 0.22 0.29 -0.12 0.00 -1.04 0.00 0.00 55.73 55.08 1tvi s ARG 56 Cb -0.14 0.06 0.12 0.00 -2.04 0.00 0.00 34.95 32.95 1tvi s ARG 56 CO -0.02 -0.03 1.13 -1.25 -0.04 0.00 0.00 175.30 175.09 1tvi s PRO 57 N 0.85 1.34 0.31 3.89 0.04 -1.26 -4.84 135.00 135.34 1tvi s PRO 57 Ca -0.04 0.36 -0.15 0.00 0.04 0.00 0.00 61.00 61.21 1tvi s PRO 57 Cb -0.03 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.67 1tvi s PRO 57 CO -0.12 -2.07 0.65 -0.08 0.04 0.00 0.00 177.00 175.42 1tvi s THR 58 N -3.25 0.00 -0.04 1.26 -1.32 -1.26 -5.06 115.64 105.96 1tvi s THR 58 Ca 0.63 -1.18 -0.25 0.00 -1.21 0.00 0.00 61.69 59.67 1tvi s THR 58 Cb -0.15 -2.41 -0.21 0.00 -1.51 0.00 0.00 72.50 68.22 1tvi s THR 58 CO 0.53 0.00 1.13 0.44 -2.21 0.00 0.00 174.62 174.51 1tvi h ASP 59 N 2.08 0.09 -3.65 8.08 3.32 -1.92 -3.44 116.42 120.98 1tvi h ASP 59 Ca -0.26 -0.65 -0.07 0.00 0.02 0.00 0.00 57.03 56.07 1tvi h ASP 59 Cb 1.25 -0.03 -0.23 0.00 0.22 0.00 0.00 39.33 40.54 1tvi h ASP 59 CO 0.34 0.72 -0.08 0.54 -1.72 0.00 0.00 179.24 179.04 1tvi s VAL 60 N -3.63 -0.00 -0.19 -1.35 0.11 -1.26 -3.63 120.40 110.45 1tvi s VAL 60 Ca -0.16 0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 58.75 1tvi s VAL 60 Cb 0.01 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 1tvi s VAL 60 CO 0.70 0.01 0.36 -0.76 -3.33 0.00 0.00 175.10 172.08 1tvi s LEU 61 N 0.72 4.18 0.06 2.54 1.02 0.16 -5.01 118.68 122.35 1tvi s LEU 61 Ca -0.03 0.49 -0.17 0.00 0.02 0.00 0.00 54.13 54.44 1tvi s LEU 61 Cb -0.05 -2.46 -0.06 0.00 0.02 0.00 0.00 46.19 43.64 1tvi s LEU 61 CO -0.05 -0.02 0.51 0.28 0.02 0.00 0.00 176.35 177.08 1tvi s THR 62 N 1.07 4.86 0.14 5.49 -1.32 -1.26 -1.15 115.64 123.48 1tvi s THR 62 Ca 0.18 1.00 -0.30 0.00 -1.21 0.00 0.00 61.69 61.36 1tvi s THR 62 Cb -0.14 -3.80 -0.07 0.00 -1.51 0.00 0.00 72.50 66.98 1tvi s THR 62 CO 0.07 0.49 0.97 0.12 -2.21 0.00 0.00 174.62 174.06 1tvi s PHE 63 N -1.18 3.83 -0.47 9.09 5.36 -1.26 -4.91 117.98 128.44 1tvi s PHE 63 Ca 0.29 1.81 -0.28 0.00 -0.96 0.00 0.00 56.93 57.78 1tvi s PHE 63 Cb -0.18 -3.06 0.01 0.00 -0.34 0.00 0.00 43.02 39.45 1tvi s PHE 63 CO 0.17 0.18 1.45 -1.25 -1.46 0.00 0.00 175.22 174.31 1tvi s PRO 64 N -0.26 3.43 -0.10 10.12 0.04 -1.26 -4.64 135.00 142.33 1tvi s PRO 64 Ca 0.46 0.77 0.04 0.00 0.04 0.00 0.00 61.00 62.31 1tvi s PRO 64 Cb -0.24 -4.08 0.12 0.00 0.04 0.00 0.00 34.50 30.34 1tvi s PRO 64 CO 0.31 -1.76 0.84 1.47 0.04 0.00 0.00 177.00 177.90 1tvi n LEU 65 N 9.31 -0.70 -4.50 -3.56 -0.00 -1.26 -5.06 117.00 111.23 1tvi n LEU 65 Ca 0.15 -1.72 -0.12 0.00 -0.00 0.00 0.00 56.01 54.32 1tvi n LEU 65 Cb 0.49 0.27 -0.10 0.00 -0.00 0.00 0.00 43.42 44.08 1tvi n LEU 65 CO 0.71 1.24 1.09 0.23 -0.00 0.00 0.00 177.39 180.66 1tvi n MET 66 N -0.47 0.13 -0.95 1.47 2.81 -1.26 -4.63 117.12 114.21 1tvi n MET 66 Ca -0.13 -1.34 0.00 0.00 -1.81 0.00 0.00 57.70 54.43 1tvi n MET 66 Cb 0.62 -3.47 0.00 0.00 -0.71 0.00 0.00 33.22 29.66 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 7.68 0.00 -1.02 0.03 1.02 -1.26 -4.97 120.64 122.12 1tvi n GLU 67 Ca 0.37 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.29 1tvi n GLU 67 Cb 0.46 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.79 1tvi n GLU 67 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1tvi n GLU 68 N 0.00 2.51 0.00 3.49 0.00 -1.25 -4.43 120.64 120.96 1tvi n GLU 68 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 57.16 55.73 1tvi n GLU 68 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 31.44 29.12 1tvi n GLU 68 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1tvi n ASP 69 N 3.13 0.00 -0.89 4.31 5.75 -1.26 -5.02 116.55 122.57 1tvi n ASP 69 Ca 0.54 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 55.40 1tvi n ASP 69 Cb 0.52 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.78 1tvi n ASP 69 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1tvi n VAL 70 N 0.00 0.57 -0.54 2.12 3.14 -1.26 -4.76 118.33 117.61 1tvi n VAL 70 Ca 0.00 -0.79 -0.17 0.00 -2.96 0.00 0.00 64.34 60.42 1tvi n VAL 70 Cb 0.00 0.87 -0.02 0.00 -1.06 0.00 0.00 33.84 33.63 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 1.07 0.96 -0.07 1.45 4.11 -1.26 -4.67 117.16 118.76 1tvi n TYR 71 Ca 0.15 -1.50 0.00 0.00 -0.00 0.00 0.00 57.90 56.55 1tvi n TYR 71 Cb 0.49 -1.34 0.00 0.00 -0.00 0.00 0.00 39.34 38.49 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 3.89 3.86 2.77 -7.48 0.00 -1.21 -4.74 105.19 102.29 1tvi n GLY 72 Ca 0.32 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 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 4.91 0.79 -0.00 1.61 -1.05 -1.26 -1.53 118.70 122.17 1tvi s GLU 73 Ca 0.00 -0.30 -0.05 0.00 -0.15 0.00 0.00 54.97 54.47 1tvi s GLU 73 Cb 0.00 -1.78 -0.04 0.00 -0.44 0.00 0.00 34.13 31.86 1tvi s GLU 73 CO 0.00 -0.51 0.23 0.96 0.95 0.00 0.00 175.26 176.89 1tvi s ILE 74 N 1.85 5.36 -0.26 1.83 -4.36 0.85 -4.23 121.20 122.23 1tvi s ILE 74 Ca 0.01 0.05 -0.09 0.00 -0.26 0.00 0.00 60.65 60.35 1tvi s ILE 74 Cb -0.15 -3.55 -0.04 0.00 1.25 0.00 0.00 42.46 39.97 1tvi s ILE 74 CO -0.07 0.36 0.13 -0.31 0.24 0.00 0.00 174.94 175.29 1tvi s TYR 75 N -1.30 3.17 0.15 1.37 1.51 -0.30 0.79 117.35 122.74 1tvi s TYR 75 Ca 0.27 -0.11 0.07 0.00 -1.01 0.00 0.00 57.07 56.29 1tvi s TYR 75 Cb -0.13 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.37 1tvi s TYR 75 CO 0.17 -0.23 -0.03 0.08 -1.11 0.00 0.00 175.55 174.43 1tvi s VAL 76 N 1.63 3.65 -0.30 0.71 1.01 0.21 0.37 120.40 127.68 1tvi s VAL 76 Ca 0.07 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 60.68 1tvi s VAL 76 Cb -0.15 -2.79 0.11 0.00 0.00 0.00 0.00 36.38 33.54 1tvi s VAL 76 CO 0.07 -0.03 0.16 0.00 0.00 0.00 0.00 175.10 175.30 1tvi n PRO 78 N 5.04 0.75 -0.03 0.00 -0.04 -1.26 -2.55 135.00 136.91 1tvi n PRO 78 Ca -0.02 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.26 1tvi n PRO 78 Cb 0.42 -1.38 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.19 -0.11 1.53 7.12 -1.93 -0.68 115.31 121.43 1tvi h LEU 79 Ca 0.00 -0.92 -0.12 0.00 0.13 0.00 0.00 57.88 56.97 1tvi h LEU 79 Cb 0.00 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.05 1tvi h LEU 79 CO 0.00 1.24 -0.55 0.40 -0.13 0.00 0.00 178.44 179.40 1tvi h ILE 80 N -0.73 0.97 0.08 4.05 5.03 -1.83 -2.95 117.51 122.13 1tvi h ILE 80 Ca -0.11 -2.29 -0.00 0.00 -0.12 0.00 0.00 64.86 62.33 1tvi h ILE 80 Cb 1.31 2.42 0.00 0.00 -3.03 0.00 0.00 36.82 37.53 1tvi h ILE 80 CO 0.03 0.54 -0.04 0.58 -0.68 0.00 0.00 178.15 178.58 1tvi h VAL 81 N 0.00 0.87 -0.60 1.67 2.07 -1.60 -2.87 116.25 115.78 1tvi h VAL 81 Ca -0.01 -1.41 0.12 0.00 0.82 0.00 0.00 66.70 66.22 1tvi h VAL 81 Cb 1.38 1.56 -0.11 0.00 -1.52 0.00 0.00 31.29 32.60 1tvi h VAL 81 CO 0.07 0.26 -0.11 1.05 0.02 0.00 0.00 177.57 178.87 1tvi h GLU 82 N -0.94 0.03 -0.04 1.57 4.11 -1.21 0.89 114.58 118.99 1tvi h GLU 82 Ca -0.01 -0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.43 1tvi h GLU 82 Cb 0.52 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1tvi h GLU 82 CO 0.02 0.02 0.03 1.05 0.07 0.00 0.00 179.01 180.20 1tvi h GLU 83 N 0.03 0.00 0.05 1.06 4.11 -1.62 0.82 114.58 119.03 1tvi h GLU 83 Ca 0.29 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.49 1tvi h GLU 83 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1tvi h GLU 83 CO -0.59 0.00 -1.05 -0.91 0.07 0.00 0.00 179.01 176.53 1tvi h ASN 84 N 0.00 0.40 1.08 3.06 2.35 0.78 -2.64 115.58 120.62 1tvi h ASN 84 Ca 0.02 -0.37 -0.15 0.00 -0.55 0.00 0.00 56.30 55.24 1tvi h ASN 84 Cb 0.07 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1tvi h ASN 84 CO -0.00 1.22 -0.72 0.00 -1.65 0.00 0.00 177.43 176.28 1tvi h ALA 85 N 0.74 0.61 -0.12 -0.83 0.00 0.17 -2.85 119.26 116.98 1tvi h ALA 85 Ca -0.09 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.03 1tvi h ALA 85 Cb 1.73 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1tvi h ALA 85 CO 0.17 0.90 -0.51 0.00 0.00 0.00 0.00 179.25 179.81 1tvi h ARG 86 N 0.00 0.32 0.00 0.00 3.08 0.59 2.33 114.38 120.70 1tvi h ARG 86 Ca -0.01 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 59.77 1tvi h ARG 86 Cb 1.46 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.51 1tvi h ARG 86 CO 0.09 0.76 -0.38 1.05 -1.07 0.00 0.00 179.97 180.43 1tvi h GLU 87 N 0.26 0.00 -0.10 0.04 4.11 -1.42 -3.16 114.58 114.31 1tvi h GLU 87 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1tvi h GLU 87 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1tvi h GLU 87 CO 0.08 0.38 0.00 1.19 0.07 0.00 0.00 179.01 180.73 1tvi n PHE 88 N -3.31 0.20 -2.37 2.06 3.72 -1.04 -4.95 117.46 111.77 1tvi n PHE 88 Ca 0.01 -0.68 -0.06 0.00 -0.05 0.00 0.00 57.45 56.67 1tvi n PHE 88 Cb 0.60 -0.11 -0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1tvi n PHE 88 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1tvi n ASN 89 N -0.57 -2.34 -4.81 4.37 4.05 0.68 -4.87 115.26 111.77 1tvi n ASN 89 Ca 0.09 0.34 -0.32 0.00 0.45 0.00 0.00 54.58 55.14 1tvi n ASN 89 Cb 0.47 -2.10 0.03 0.00 1.23 0.00 0.00 39.78 39.41 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 -1.97 5.63 -0.71 1.20 2.47 0.44 -4.93 114.94 117.07 1tvi s ASN 90 Ca 0.00 1.73 -0.26 0.00 0.42 0.00 0.00 52.86 54.75 1tvi s ASN 90 Cb 0.00 -2.52 -0.01 0.00 -1.45 0.00 0.00 41.25 37.27 1tvi s ASN 90 CO 0.00 -1.27 1.74 -0.89 -3.72 0.00 0.00 177.10 172.96 1tvi s THR 91 N -2.69 3.47 0.24 -5.21 2.01 -1.26 -4.61 115.64 107.59 1tvi s THR 91 Ca 0.61 0.08 -0.08 0.00 0.31 0.00 0.00 61.69 62.61 1tvi s THR 91 Cb -0.15 -4.20 0.28 0.00 0.01 0.00 0.00 72.50 68.44 1tvi s THR 91 CO 0.44 -1.16 1.63 0.15 -0.69 0.00 0.00 174.62 174.99 1tvi h PHE 92 N 13.08 -0.14 -0.83 4.92 3.57 -1.90 0.51 116.94 136.15 1tvi h PHE 92 Ca -0.17 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.46 1tvi h PHE 92 Cb 1.10 0.18 -0.07 0.00 2.79 0.00 0.00 35.95 39.96 1tvi h PHE 92 CO 1.10 -0.27 0.49 1.05 -2.23 0.00 0.00 178.31 178.46 1tvi h GLU 93 N 0.07 0.84 -0.20 1.11 9.09 -1.92 0.26 114.58 123.84 1tvi h GLU 93 Ca 0.40 -0.05 -0.02 0.00 0.05 0.00 0.00 59.36 59.74 1tvi h GLU 93 Cb 0.68 -0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 1tvi h GLU 93 CO -0.69 0.56 0.05 -0.22 0.05 0.00 0.00 179.01 178.76 1tvi h LYS 94 N 0.87 0.31 -0.63 1.06 3.11 -0.56 0.73 116.57 121.46 1tvi h LYS 94 Ca 0.38 -0.07 0.04 0.00 -2.81 0.00 0.00 60.65 58.19 1tvi h LYS 94 Cb 0.26 -0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.40 1tvi h LYS 94 CO -0.21 0.43 0.36 0.93 -2.81 0.00 0.00 179.45 178.16 1tvi h GLU 95 N 0.14 0.67 0.00 1.90 4.39 0.32 -0.25 114.58 121.75 1tvi h GLU 95 Ca 0.06 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 1tvi h GLU 95 Cb 0.25 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1tvi h GLU 95 CO -0.00 0.44 -0.53 1.25 -1.16 0.00 0.00 179.01 179.01 1tvi h LEU 96 N 0.69 0.00 -1.53 1.33 7.12 -0.29 -2.68 115.31 119.95 1tvi h LEU 96 Ca 0.27 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 58.23 1tvi h LEU 96 Cb 0.11 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.24 1tvi h LEU 96 CO -0.15 0.53 -0.24 -0.07 -0.13 0.00 0.00 178.44 178.38 1tvi h LEU 97 N 0.00 0.00 0.55 2.25 4.07 0.21 -1.93 115.31 120.47 1tvi h LEU 97 Ca -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1tvi h LEU 97 Cb 1.06 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.81 1tvi h LEU 97 CO 0.07 0.24 -0.27 -0.33 -1.08 0.00 0.00 178.44 177.08 1tvi h GLU 98 N 0.00 -0.72 -0.13 1.13 5.08 -0.82 -0.89 114.58 118.24 1tvi h GLU 98 Ca -0.00 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1tvi h GLU 98 Cb 0.45 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1tvi h GLU 98 CO 0.03 -0.41 0.19 -0.39 -1.00 0.00 0.00 179.01 177.43 1tvi h VAL 99 N -1.04 0.34 0.35 3.13 -1.51 -1.53 1.54 116.25 117.53 1tvi h VAL 99 Ca -0.08 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.38 1tvi h VAL 99 Cb 0.64 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 1tvi h VAL 99 CO 0.12 0.00 -0.17 0.58 -1.23 0.00 0.00 177.57 176.88 1tvi h VAL 100 N 0.00 0.33 0.00 7.19 2.07 -1.02 -3.16 116.25 121.66 1tvi h VAL 100 Ca 0.06 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1tvi h VAL 100 Cb 0.43 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 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 -1.02 0.00 -0.67 4.57 3.07 -0.19 -2.93 117.51 120.34 1tvi h ILE 101 Ca -0.05 -0.47 0.19 0.00 1.55 0.00 0.00 64.86 66.09 1tvi h ILE 101 Cb 0.49 1.38 -0.03 0.00 -0.27 0.00 0.00 36.82 38.39 1tvi h ILE 101 CO 0.08 0.00 0.57 -0.74 -1.05 0.00 0.00 178.15 177.01 1tvi h HIS 102 N 0.00 0.00 0.18 0.16 2.76 0.22 2.63 115.15 121.09 1tvi h HIS 102 Ca 0.00 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.90 1tvi h HIS 102 Cb 0.55 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.54 1tvi h HIS 102 CO 0.00 0.00 -1.16 0.78 -1.30 0.00 0.00 177.93 176.25 1tvi h GLY 103 N 0.00 0.54 0.03 5.26 0.00 -1.62 -2.89 103.07 104.38 1tvi h GLY 103 Ca 0.32 -1.29 -0.00 0.00 0.00 0.00 0.00 47.33 46.36 1tvi h GLY 103 CO -0.00 1.13 -0.01 -2.22 0.00 0.00 0.00 176.54 175.44 1tvi h ILE 104 N -0.01 1.05 -1.12 2.60 2.04 -0.66 -3.20 117.51 118.21 1tvi h ILE 104 Ca -0.20 -1.75 0.31 0.00 1.00 0.00 0.00 64.86 64.23 1tvi h ILE 104 Cb 1.90 1.97 -0.06 0.00 -0.74 0.00 0.00 36.82 39.88 1tvi h ILE 104 CO 0.22 0.35 0.78 0.17 0.00 0.00 0.00 178.15 179.67 1tvi h LEU 105 N -0.99 0.16 0.63 1.44 8.10 0.42 1.33 115.31 126.41 1tvi h LEU 105 Ca -0.00 0.03 -0.03 0.00 0.11 0.00 0.00 57.88 57.99 1tvi h LEU 105 Cb 0.59 0.01 0.01 0.00 -0.44 0.00 0.00 40.66 40.82 1tvi h LEU 105 CO 0.00 0.02 -0.30 0.45 -4.11 0.00 0.00 178.44 174.50 1tvi h HIS 106 N 0.13 -0.79 -0.16 0.17 3.86 -1.56 -2.13 115.15 114.68 1tvi h HIS 106 Ca 0.57 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.76 1tvi h HIS 106 Cb 1.98 0.26 0.00 0.00 1.06 0.00 0.00 27.41 30.71 1tvi h HIS 106 CO -0.00 -0.47 0.00 -0.11 0.86 0.00 0.00 177.93 178.21 1tvi n LEU 107 N -5.43 0.97 0.04 2.43 0.00 0.54 -3.33 117.00 112.23 1tvi n LEU 107 Ca -0.13 -0.46 -0.07 0.00 0.00 0.00 0.00 56.01 55.35 1tvi n LEU 107 Cb 0.36 -0.11 -0.12 0.00 0.00 0.00 0.00 43.42 43.55 1tvi n LEU 107 CO 0.36 0.23 -0.01 0.00 0.00 0.00 0.00 177.39 177.98 1tvi h ALA 108 N 3.49 0.46 -3.00 1.96 0.00 0.23 -3.46 119.26 118.93 1tvi h ALA 108 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1tvi h ALA 108 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1tvi h ALA 108 CO 0.00 1.31 0.00 0.41 0.00 0.00 0.00 179.25 180.97 1tvi n GLY 109 N 1.40 1.41 2.79 0.00 0.00 -1.14 -5.03 105.19 104.61 1tvi n GLY 109 Ca -0.04 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1tvi n GLY 109 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1tvi n TYR 110 N 0.00 -2.07 -0.02 1.61 0.18 -1.25 -4.90 117.16 110.71 1tvi n TYR 110 Ca 0.00 0.47 0.02 0.00 1.88 0.00 0.00 57.90 60.27 1tvi n TYR 110 Cb 0.00 -1.48 -0.07 0.00 -0.38 0.00 0.00 39.34 37.41 1tvi n TYR 110 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1tvi n ASP 111 N 2.05 2.86 -2.91 9.48 9.92 -1.26 -4.50 116.55 132.18 1tvi n ASP 111 Ca 0.08 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.21 1tvi n ASP 111 Cb 0.37 1.18 0.01 0.00 -0.64 0.00 0.00 41.12 42.03 1tvi n ASP 111 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1tvi n HIS 112 N -2.00 -2.19 -1.35 1.24 1.44 -1.26 -3.85 115.22 107.25 1tvi n HIS 112 Ca -0.06 -2.46 0.00 0.00 -2.01 0.00 0.00 57.72 53.19 1tvi n HIS 112 Cb 0.43 0.87 0.00 0.00 0.12 0.00 0.00 29.99 31.41 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 1.39 -3.86 -2.10 -1.40 2.13 -1.26 -4.96 120.64 110.58 1tvi n GLU 113 Ca 0.13 2.86 0.02 0.00 0.66 0.00 0.00 57.16 60.83 1tvi n GLU 113 Cb 0.61 -3.22 0.03 0.00 0.27 0.00 0.00 31.44 29.13 1tvi n GLU 113 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1tvi n PHE 114 N -0.77 0.46 -1.37 4.31 3.01 -1.26 -4.98 117.46 116.86 1tvi n PHE 114 Ca 0.00 -1.25 0.00 0.00 1.01 0.00 0.00 57.45 57.21 1tvi n PHE 114 Cb 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 1tvi n PHE 114 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1tvi n GLU 115 N -0.07 0.00 -0.15 -1.08 2.13 -1.26 -4.96 120.64 115.24 1tvi n GLU 115 Ca 0.04 0.46 -0.08 0.00 0.66 0.00 0.00 57.16 58.24 1tvi n GLU 115 Cb 0.97 -1.20 0.01 0.00 0.27 0.00 0.00 31.44 31.49 1tvi n GLU 115 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1tvi h ASP 116 N 0.00 0.56 -0.30 4.31 3.32 -2.02 -3.39 116.42 118.90 1tvi h ASP 116 Ca 0.00 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 1tvi h ASP 116 Cb 0.00 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1tvi h ASP 116 CO 0.00 0.46 0.50 0.29 -1.72 0.00 0.00 179.24 178.77 1tvi n LYS 117 N -4.71 0.45 -1.04 3.56 5.02 -1.26 -4.52 118.16 115.66 1tvi n LYS 117 Ca 0.01 -0.64 0.13 0.00 -2.02 0.00 0.00 58.31 55.79 1tvi n LYS 117 Cb 0.06 -3.10 -0.06 0.00 -0.02 0.00 0.00 35.03 31.91 1tvi n LYS 117 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1tvi n ASN 118 N 15.78 -5.95 0.00 4.39 2.85 -1.26 -5.07 115.26 126.00 1tvi n ASN 118 Ca 0.51 0.91 0.00 0.00 -0.11 0.00 0.00 54.58 55.89 1tvi n ASN 118 Cb 0.37 -3.48 0.00 0.00 1.24 0.00 0.00 39.78 37.91 1tvi n ASN 118 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1tvi n SER 119 N -3.75 0.00 0.12 1.20 7.64 -1.26 -4.85 113.62 112.72 1tvi n SER 119 Ca -0.05 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.81 1tvi n SER 119 Cb 0.49 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.81 1tvi n SER 119 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1tvi h LYS 120 N 0.00 0.00 -0.43 1.43 1.63 -1.97 -1.81 116.57 115.42 1tvi h LYS 120 Ca 0.00 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1tvi h LYS 120 Cb 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1tvi h LYS 120 CO 0.00 0.68 0.04 1.49 -3.45 0.00 0.00 179.45 178.21 1tvi h GLU 121 N 0.00 0.73 -0.11 1.90 4.81 -1.98 -1.25 114.58 118.67 1tvi h GLU 121 Ca -0.01 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 58.96 1tvi h GLU 121 Cb 1.21 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1tvi h GLU 121 CO 0.09 0.78 -0.13 0.52 -0.73 0.00 0.00 179.01 179.53 1tvi h MET 122 N 0.58 0.29 -0.07 1.92 2.86 -1.93 -2.07 114.93 116.51 1tvi h MET 122 Ca 0.13 -0.16 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1tvi h MET 122 Cb 0.42 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.04 1tvi h MET 122 CO 0.01 0.72 -0.22 0.35 1.06 0.00 0.00 176.91 178.83 1tvi h PHE 123 N -0.12 -0.57 0.66 -0.22 3.57 -1.29 1.17 116.94 120.14 1tvi h PHE 123 Ca 0.02 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1tvi h PHE 123 Cb 0.67 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1tvi h PHE 123 CO 0.09 -0.30 -0.45 0.93 -2.23 0.00 0.00 178.31 176.35 1tvi h GLU 124 N -0.30 -1.01 -0.16 1.11 5.08 -1.28 0.60 114.58 118.62 1tvi h GLU 124 Ca 0.08 0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1tvi h GLU 124 Cb 0.42 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1tvi h GLU 124 CO -0.25 -0.67 0.21 0.87 -1.00 0.00 0.00 179.01 178.17 1tvi h LYS 125 N -1.05 0.00 0.05 2.33 1.57 -1.21 0.42 116.57 118.68 1tvi h LYS 125 Ca -0.09 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.43 1tvi h LYS 125 Cb 0.85 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.18 1tvi h LYS 125 CO 0.06 0.00 -1.08 0.37 -0.57 0.00 0.00 179.45 178.23 1tvi h GLN 126 N 0.00 0.48 0.00 3.15 4.15 0.27 -3.02 115.11 120.14 1tvi h GLN 126 Ca 0.07 -0.59 0.00 0.00 0.77 0.00 0.00 58.65 58.90 1tvi h GLN 126 Cb 0.49 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1tvi h GLN 126 CO -0.00 1.22 -0.02 0.87 -1.93 0.00 0.00 178.83 178.98 1tvi h LYS 127 N 0.24 0.00 0.53 1.69 1.57 0.34 -2.32 116.57 118.63 1tvi h LYS 127 Ca -0.12 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1tvi h LYS 127 Cb 1.74 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.06 1tvi h LYS 127 CO 0.19 0.00 -0.26 -0.22 -0.57 0.00 0.00 179.45 178.60 1tvi h LYS 128 N 0.00 -0.69 -0.22 3.15 3.64 -0.29 -1.84 116.57 120.33 1tvi h LYS 128 Ca 0.00 0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 1tvi h LYS 128 Cb 0.89 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1tvi h LYS 128 CO 0.00 -0.46 -0.18 1.88 -2.27 0.00 0.00 179.45 178.42 1tvi h TYR 129 N -1.09 0.41 0.31 1.91 0.05 -1.63 -1.78 116.97 115.16 1tvi h TYR 129 Ca -0.07 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.64 1tvi h TYR 129 Cb 0.55 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 1tvi h TYR 129 CO 0.01 0.55 -0.28 0.28 -1.05 0.00 0.00 178.16 177.67 1tvi h VAL 130 N 0.35 0.42 0.00 -2.88 2.07 -1.45 1.56 116.25 116.32 1tvi h VAL 130 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 1tvi h VAL 130 Cb 0.52 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1tvi h VAL 130 CO 0.03 0.00 -0.14 -0.33 0.02 0.00 0.00 177.57 177.16 1tvi h GLU 131 N -0.61 0.00 0.07 1.57 4.39 -1.19 1.73 114.58 120.55 1tvi h GLU 131 Ca -0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1tvi h GLU 131 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1tvi h GLU 131 CO -0.03 0.14 -0.03 0.93 -1.16 0.00 0.00 179.01 178.85 1tvi h GLU 132 N 0.00 -0.09 -0.01 2.33 4.39 -0.35 0.02 114.58 120.88 1tvi h GLU 132 Ca -0.00 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 1tvi h GLU 132 Cb 0.27 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1tvi h GLU 132 CO 0.02 0.49 -0.59 0.28 -1.16 0.00 0.00 179.01 178.05 1tvi h VAL 133 N -0.84 1.41 0.00 3.13 2.07 0.24 -1.93 116.25 120.34 1tvi h VAL 133 Ca -0.01 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.51 1tvi h VAL 133 Cb 0.62 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1tvi h VAL 133 CO 0.02 0.57 0.00 1.87 0.02 0.00 0.00 177.57 180.05 1tvi n TRP 134 N -3.85 0.73 -0.21 1.57 -0.00 0.59 -3.35 117.44 112.92 1tvi n TRP 134 Ca -0.01 0.22 0.28 0.00 -0.00 0.00 0.00 57.50 57.99 1tvi n TRP 134 Cb 0.59 -0.86 0.69 0.00 -0.00 0.00 0.00 31.31 31.73 1tvi n TRP 134 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1tvi h GLY 135 N 4.36 0.18 0.00 5.87 0.00 -0.14 1.50 103.07 114.85 1tvi h GLY 135 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 1tvi h GLY 135 CO 0.00 -0.01 -0.49 -2.09 0.00 0.00 0.00 176.54 173.95 1tvi h GLU 136 N 0.07 0.00 -0.08 4.80 4.81 -1.73 -3.33 114.58 119.12 1tvi h GLU 136 Ca 0.46 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.71 1tvi h GLU 136 Cb 1.71 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.09 1tvi h GLU 136 CO -0.04 0.25 0.26 -1.49 -0.73 0.00 0.00 179.01 177.26 1tvi h TRP 137 N -1.00 0.00 -0.75 0.92 4.06 -1.57 0.97 115.95 118.59 1tvi h TRP 137 Ca -0.06 0.00 0.09 0.00 2.06 0.00 0.00 58.89 60.98 1tvi h TRP 137 Cb 0.57 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.66 1tvi h TRP 137 CO -0.08 0.00 0.40 0.00 -3.56 0.00 0.00 178.44 175.20 1tvi h ARG 138 N 0.00 0.65 0.00 0.49 2.47 0.20 0.43 114.38 118.63 1tvi h ARG 138 Ca 0.04 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1tvi h ARG 138 Cb 0.57 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1tvi h ARG 138 CO -0.00 0.43 0.12 0.77 0.56 0.00 0.00 179.97 181.85 1tvi h SER 139 N 0.67 0.00 -2.66 7.04 0.02 -0.96 -2.96 113.55 114.69 1tvi h SER 139 Ca 0.36 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.71 1tvi h SER 139 Cb 0.35 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.49 1tvi h SER 139 CO -0.25 0.00 -0.70 -0.46 -1.14 0.00 0.00 176.83 174.27 1tvi n ASN 140 N -2.57 2.21 -4.38 3.07 0.23 0.15 -5.10 115.26 108.86 1tvi n ASN 140 Ca -0.02 -3.04 -0.29 0.00 -0.53 0.00 0.00 54.58 50.70 1tvi n ASN 140 Cb 0.16 -0.69 0.17 0.00 -2.08 0.00 0.00 39.78 37.35 1tvi n ASN 140 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1tvi s PRO 141 N -1.33 0.43 0.00 -0.53 0.04 -1.12 -4.08 135.00 128.41 1tvi s PRO 141 Ca 0.30 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1tvi s PRO 141 Cb 0.03 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1tvi s PRO 141 CO -0.14 -2.63 0.00 0.43 0.04 0.00 0.00 177.00 174.70 1tvi n SER 142 N -4.01 0.00 -2.79 6.66 7.64 -1.26 -4.66 113.62 115.20 1tvi n SER 142 Ca 0.10 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.84 1tvi n SER 142 Cb 0.59 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.75 1tvi n SER 142 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1tvi n GLU 143 N 0.00 0.52 0.22 1.43 0.00 -1.26 -4.82 120.64 116.72 1tvi n GLU 143 Ca 0.00 -2.58 0.07 0.00 0.00 0.00 0.00 57.16 54.65 1tvi n GLU 143 Cb 0.00 2.34 0.49 0.00 0.00 0.00 0.00 31.44 34.27 1tvi n GLU 143 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1tvi h ASP 144 N 1.73 0.00 0.00 -1.84 2.03 -1.83 -3.44 116.42 113.07 1tvi h ASP 144 Ca -0.22 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.08 1tvi h ASP 144 Cb 1.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.53 1tvi h ASP 144 CO 0.31 0.27 0.00 -0.24 -1.03 0.00 0.00 179.24 178.55 1tvi n SER 145 N -3.80 0.00 -3.23 4.15 2.88 -1.26 -4.85 113.62 107.52 1tvi n SER 145 Ca -0.01 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.51 1tvi n SER 145 Cb 0.36 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.79 1tvi n SER 145 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1tvi s ASP 146 N 0.00 -0.77 -1.18 -3.46 -1.08 -1.26 -5.05 116.67 103.87 1tvi s ASP 146 Ca 0.00 0.53 -0.11 0.00 -0.52 0.00 0.00 52.55 52.45 1tvi s ASP 146 Cb 0.00 1.75 -0.07 0.00 -1.46 0.00 0.00 42.92 43.14 1tvi s ASP 146 CO 0.00 -0.28 2.33 -0.81 0.52 0.00 0.00 175.17 176.93 1tvi n PRO 147 N 5.40 2.55 0.00 4.34 -0.04 -1.26 -4.14 135.00 141.85 1tvi n PRO 147 Ca -0.01 -1.92 0.00 0.00 -0.04 0.00 0.00 63.50 61.52 1tvi n PRO 147 Cb 0.51 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 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 3.91 -0.34 1.05 0.55 0.00 -1.26 -5.16 105.19 103.94 1tvi n GLY 148 Ca 0.56 0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.95 1tvi n GLY 148 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1tvi n LYS 149 N -0.12 -2.04 0.00 1.61 4.81 -1.26 -5.33 118.16 115.84 1tvi n LYS 149 Ca 0.00 1.43 0.00 0.00 -0.87 0.00 0.00 58.31 58.87 1tvi n LYS 149 Cb 0.00 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 32.51 1tvi n LYS 149 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46