#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l7h n SER 2 N 0.00 2.36 -0.35 3.17 2.88 -1.26 -4.85 113.62 115.57 3l7h n SER 2 Ca 0.00 0.89 0.01 0.00 -1.33 0.00 0.00 58.87 58.44 3l7h n SER 2 Cb 0.00 -1.18 0.15 0.00 -0.75 0.00 0.00 64.21 62.43 3l7h n SER 2 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3l7h h GLN 3 N 8.76 1.09 -0.28 -1.46 4.15 -2.05 -1.04 115.11 124.28 3l7h h GLN 3 Ca -0.40 -0.07 0.06 0.00 0.77 0.00 0.00 58.65 59.01 3l7h h GLN 3 Cb 1.32 -0.25 -0.08 0.00 0.21 0.00 0.00 27.48 28.68 3l7h h GLN 3 CO 0.98 0.72 -0.39 0.93 -1.93 0.00 0.00 178.83 179.14 3l7h h GLU 4 N 1.12 -0.36 -0.71 1.69 5.08 -2.00 0.30 114.58 119.70 3l7h h GLU 4 Ca 0.40 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.73 3l7h h GLU 4 Cb 0.13 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3l7h h GLU 4 CO -0.16 -0.24 0.24 0.28 -1.00 0.00 0.00 179.01 178.12 3l7h h VAL 5 N -0.38 1.26 -0.19 3.13 2.07 -1.76 -2.36 116.25 118.02 3l7h h VAL 5 Ca 0.12 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 3l7h h VAL 5 Cb 0.59 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3l7h h VAL 5 CO -0.48 0.34 -0.11 -0.08 0.02 0.00 0.00 177.57 177.26 3l7h h GLU 6 N 1.04 0.30 -0.37 1.57 4.81 -0.74 0.70 114.58 121.90 3l7h h GLU 6 Ca 0.23 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3l7h h GLU 6 Cb 0.28 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3l7h h GLU 6 CO -0.01 0.42 0.12 0.93 -0.73 0.00 0.00 179.01 179.74 3l7h h GLU 7 N 0.28 0.57 -0.50 1.92 5.08 -0.16 -0.40 114.58 121.38 3l7h h GLU 7 Ca 0.06 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3l7h h GLU 7 Cb 0.38 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 3l7h h GLU 7 CO 0.02 0.58 0.24 1.15 -1.00 0.00 0.00 179.01 180.00 3l7h h THR 8 N 0.45 0.93 0.55 1.13 2.02 -1.00 -1.05 112.91 115.94 3l7h h THR 8 Ca 0.12 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 3l7h h THR 8 Cb 0.25 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3l7h h THR 8 CO -0.00 0.08 -0.27 0.25 0.37 0.00 0.00 175.52 175.95 3l7h h LEU 9 N 0.46 -0.63 -0.74 2.58 5.85 -0.75 -0.18 115.31 121.90 3l7h h LEU 9 Ca 0.22 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.13 3l7h h LEU 9 Cb 0.15 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 41.22 3l7h h LEU 9 CO -0.17 -0.44 0.07 0.11 -0.34 0.00 0.00 178.44 177.67 3l7h h LYS 10 N -0.75 0.15 -0.68 1.25 1.79 -1.01 0.27 116.57 117.59 3l7h h LYS 10 Ca -0.08 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 3l7h h LYS 10 Cb 0.57 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.16 3l7h h LYS 10 CO 0.12 0.10 0.41 0.00 -1.08 0.00 0.00 179.45 179.00 3l7h h ARG 11 N 0.15 0.92 -0.74 3.15 3.08 -0.86 -2.41 114.38 117.68 3l7h h ARG 11 Ca 0.41 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.34 3l7h h ARG 11 Cb 0.73 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 3l7h h ARG 11 CO -0.61 0.66 0.32 0.82 -1.07 0.00 0.00 179.97 180.09 3l7h h ILE 12 N 0.93 1.24 0.00 2.04 2.04 0.33 -2.97 117.51 121.12 3l7h h ILE 12 Ca 0.24 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 3l7h h ILE 12 Cb -0.03 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3l7h h ILE 12 CO -0.05 0.30 -0.02 1.56 0.00 0.00 0.00 178.15 179.95 3l7h h GLN 13 N 1.07 0.00 -0.54 2.37 4.20 -0.02 -2.34 115.11 119.85 3l7h h GLN 13 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3l7h h GLN 13 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3l7h h GLN 13 CO -0.03 0.02 0.00 -1.13 -0.67 0.00 0.00 178.83 177.02 3l7h n SER 14 N -3.13 4.16 -4.75 1.46 3.41 -1.07 -4.86 113.62 108.85 3l7h n SER 14 Ca -0.00 -2.38 -0.40 0.00 -0.26 0.00 0.00 58.87 55.83 3l7h n SER 14 Cb 0.25 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 63.66 3l7h n SER 14 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3l7h s HIS 15 N -1.71 3.74 0.31 7.33 5.04 -0.88 -5.02 115.29 124.10 3l7h s HIS 15 Ca 0.44 1.44 -0.29 0.00 -1.54 0.00 0.00 55.06 55.11 3l7h s HIS 15 Cb 0.28 -2.79 -0.13 0.00 0.04 0.00 0.00 32.58 29.98 3l7h s HIS 15 CO 0.22 0.30 1.30 1.63 -2.34 0.00 0.00 174.74 175.84 3l7h n LYS 16 N 2.73 2.05 0.00 2.88 5.02 -1.26 -1.84 118.16 127.73 3l7h n LYS 16 Ca -0.03 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 3l7h n LYS 16 Cb 0.50 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 3l7h n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3l7h n GLY 17 N 1.16 3.09 3.67 0.72 0.00 -1.26 -4.96 105.19 107.61 3l7h n GLY 17 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3l7h n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3l7h s VAL 18 N -2.15 3.89 -0.40 1.61 1.01 -0.77 -0.62 120.40 122.98 3l7h s VAL 18 Ca 0.00 1.14 0.17 0.00 0.00 0.00 0.00 61.98 63.29 3l7h s VAL 18 Cb 0.00 -3.73 -0.23 0.00 0.00 0.00 0.00 36.38 32.42 3l7h s VAL 18 CO 0.00 -0.07 0.54 1.33 0.00 0.00 0.00 175.10 176.90 3l7h n VAL 19 N 5.20 0.00 -3.59 2.92 0.24 0.62 -4.95 118.33 118.77 3l7h n VAL 19 Ca 0.15 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 62.08 3l7h n VAL 19 Cb 0.44 0.54 -0.06 0.00 -1.47 0.00 0.00 33.84 33.29 3l7h n VAL 19 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3l7h s GLY 20 N -3.32 -0.31 0.05 7.63 0.00 -1.07 -5.01 107.32 105.29 3l7h s GLY 20 Ca -0.00 2.08 -0.00 0.00 0.00 0.00 0.00 44.72 46.80 3l7h s GLY 20 CO 0.71 1.31 -0.04 -0.51 0.00 0.00 0.00 173.10 174.56 3l7h s THR 21 N -0.62 0.31 -0.05 0.90 -4.23 -1.26 -1.50 115.64 109.19 3l7h s THR 21 Ca -0.02 -1.62 -0.07 0.00 -1.18 0.00 0.00 61.69 58.81 3l7h s THR 21 Cb -0.02 -1.25 0.01 0.00 1.34 0.00 0.00 72.50 72.58 3l7h s THR 21 CO 0.01 -0.84 0.17 -0.63 -0.54 0.00 0.00 174.62 172.79 3l7h s ILE 22 N -3.24 0.02 -0.11 2.99 1.01 -0.49 -2.20 121.20 119.19 3l7h s ILE 22 Ca 0.02 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.57 3l7h s ILE 22 Cb 0.03 -0.29 -0.01 0.00 0.01 0.00 0.00 42.46 42.20 3l7h s ILE 22 CO -0.07 -0.07 -0.19 -0.69 0.00 0.00 0.00 174.94 173.93 3l7h s VAL 23 N -0.19 2.57 0.02 2.92 1.01 0.15 -0.80 120.40 126.07 3l7h s VAL 23 Ca -0.03 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3l7h s VAL 23 Cb -0.02 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3l7h s VAL 23 CO 0.01 0.55 -0.25 -0.69 0.00 0.00 0.00 175.10 174.72 3l7h s VAL 24 N 0.22 1.97 0.92 2.92 1.01 -0.12 0.60 120.40 127.91 3l7h s VAL 24 Ca -0.12 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 60.53 3l7h s VAL 24 Cb -0.16 -1.67 0.19 0.00 0.00 0.00 0.00 36.38 34.75 3l7h s VAL 24 CO 0.06 0.43 1.27 0.54 0.00 0.00 0.00 175.10 177.40 3l7h s ASN 25 N -0.92 3.28 0.00 3.32 2.20 0.21 -0.81 114.94 122.22 3l7h s ASN 25 Ca 0.10 0.09 0.23 0.00 -0.94 0.00 0.00 52.86 52.34 3l7h s ASN 25 Cb -0.10 -0.17 1.19 0.00 -2.00 0.00 0.00 41.25 40.18 3l7h s ASN 25 CO 0.01 -2.61 1.73 -0.46 -2.94 0.00 0.00 177.10 172.83 3l7h n ASN 26 N -3.60 0.00 -1.18 3.54 0.23 -1.07 -1.07 115.26 112.11 3l7h n ASN 26 Ca 0.16 -0.21 0.09 0.00 -0.53 0.00 0.00 54.58 54.10 3l7h n ASN 26 Cb 0.60 -0.21 0.28 0.00 -2.08 0.00 0.00 39.78 38.36 3l7h n ASN 26 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3l7h n GLU 27 N -1.21 2.59 -0.89 -3.83 1.02 -1.26 -4.96 120.64 112.10 3l7h n GLU 27 Ca 0.12 -2.23 0.00 0.00 -0.02 0.00 0.00 57.16 55.03 3l7h n GLU 27 Cb 0.15 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 3l7h n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3l7h n GLY 28 N 1.37 0.97 3.70 0.62 0.00 -0.23 -5.03 105.19 106.59 3l7h n GLY 28 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3l7h n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3l7h s ILE 29 N -3.79 4.59 0.25 -0.61 1.01 -1.26 -4.76 121.20 116.63 3l7h s ILE 29 Ca 0.00 1.87 -0.30 0.00 0.00 0.00 0.00 60.65 62.21 3l7h s ILE 29 Cb 0.00 -4.20 -0.11 0.00 0.01 0.00 0.00 42.46 38.17 3l7h s ILE 29 CO 0.00 0.10 1.54 -2.84 0.00 0.00 0.00 174.94 173.74 3l7h s PRO 30 N 1.35 4.20 -0.03 2.79 0.02 -1.26 -0.62 135.00 141.44 3l7h s PRO 30 Ca 0.53 2.43 0.08 0.00 0.02 0.00 0.00 61.00 64.07 3l7h s PRO 30 Cb -0.23 -3.09 -0.13 0.00 0.02 0.00 0.00 34.50 31.08 3l7h s PRO 30 CO 0.26 -0.55 0.14 1.33 -0.33 0.00 0.00 177.00 177.85 3l7h n VAL 31 N 2.71 0.18 -3.84 3.83 0.24 0.20 -4.87 118.33 116.79 3l7h n VAL 31 Ca 0.09 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 3l7h n VAL 31 Cb 0.39 -0.05 -0.10 0.00 -1.47 0.00 0.00 33.84 32.60 3l7h n VAL 31 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3l7h s LYS 32 N -2.49 0.45 -0.07 7.34 -0.14 -1.14 -4.99 119.74 118.71 3l7h s LYS 32 Ca -0.04 -0.21 -0.30 0.00 -1.36 0.00 0.00 55.97 54.06 3l7h s LYS 32 Cb 0.05 0.19 0.09 0.00 -1.68 0.00 0.00 37.83 36.48 3l7h s LYS 32 CO 0.36 -0.11 0.78 0.45 -0.76 0.00 0.00 175.35 176.08 3l7h s SER 33 N -1.03 -0.56 0.00 2.83 0.15 -1.26 -0.67 113.70 113.16 3l7h s SER 33 Ca -0.11 0.57 0.23 0.00 0.70 0.00 0.00 55.95 57.34 3l7h s SER 33 Cb -0.06 0.47 0.23 0.00 -1.71 0.00 0.00 66.02 64.94 3l7h s SER 33 CO 0.02 -0.54 1.27 0.35 1.20 0.00 0.00 173.24 175.53 3l7h n THR 34 N 0.76 0.09 -4.08 6.45 -2.24 -0.93 -4.93 114.28 109.40 3l7h n THR 34 Ca -0.16 -0.55 -0.22 0.00 -2.27 0.00 0.00 64.05 60.85 3l7h n THR 34 Cb 0.58 1.40 -0.05 0.00 -2.10 0.00 0.00 70.33 70.15 3l7h n THR 34 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3l7h s LEU 35 N -1.86 3.58 0.93 3.22 1.43 -1.26 -4.96 118.68 119.76 3l7h s LEU 35 Ca 0.29 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 3l7h s LEU 35 Cb 0.20 -2.12 0.15 0.00 0.03 0.00 0.00 46.19 44.44 3l7h s LEU 35 CO 0.30 -0.13 1.09 1.51 0.23 0.00 0.00 176.35 179.35 3l7h s ASP 36 N -3.84 3.16 0.10 2.29 -4.77 -1.26 -4.75 116.67 107.59 3l7h s ASP 36 Ca 0.35 1.49 -0.20 0.00 -3.30 0.00 0.00 52.55 50.88 3l7h s ASP 36 Cb -0.06 -2.16 -0.09 0.00 -1.09 0.00 0.00 42.92 39.51 3l7h s ASP 36 CO 0.24 -2.84 1.70 -1.13 0.70 0.00 0.00 175.17 173.85 3l7h h ASN 37 N -1.68 0.20 0.00 2.11 -1.24 -1.99 -1.98 115.58 111.00 3l7h h ASN 37 Ca -0.51 -0.08 -0.09 0.00 0.71 0.00 0.00 56.30 56.33 3l7h h ASN 37 Cb 1.29 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 40.28 3l7h h ASN 37 CO 0.54 0.22 -0.27 0.71 -1.29 0.00 0.00 177.43 177.34 3l7h h THR 38 N 0.17 1.27 -0.53 -3.57 1.35 -2.00 -1.70 112.91 107.89 3l7h h THR 38 Ca 0.06 -1.27 -0.12 0.00 -0.55 0.00 0.00 66.41 64.53 3l7h h THR 38 Cb 0.06 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 3l7h h THR 38 CO -0.01 0.40 -0.13 0.74 -0.25 0.00 0.00 175.52 176.27 3l7h h THR 39 N 0.37 1.27 -0.40 6.82 2.02 -1.91 -2.75 112.91 118.34 3l7h h THR 39 Ca 0.05 -1.29 -0.04 0.00 0.77 0.00 0.00 66.41 65.90 3l7h h THR 39 Cb 0.67 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3l7h h THR 39 CO 0.05 0.45 0.08 0.74 0.37 0.00 0.00 175.52 177.22 3l7h h THR 40 N 0.90 1.23 -0.64 3.16 2.02 -0.99 -1.81 112.91 116.79 3l7h h THR 40 Ca 0.13 -0.82 0.07 0.00 0.77 0.00 0.00 66.41 66.57 3l7h h THR 40 Cb 0.70 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 68.06 3l7h h THR 40 CO 0.05 0.28 0.33 0.58 0.37 0.00 0.00 175.52 177.13 3l7h h VAL 41 N 0.50 0.92 0.21 3.16 2.07 -1.22 0.23 116.25 122.11 3l7h h VAL 41 Ca 0.12 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3l7h h VAL 41 Cb 0.33 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3l7h h VAL 41 CO 0.00 0.11 -0.10 -0.61 0.02 0.00 0.00 177.57 176.99 3l7h h GLN 42 N 0.59 -0.27 -0.30 1.57 4.15 -1.15 0.31 115.11 120.01 3l7h h GLN 42 Ca 0.29 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.70 3l7h h GLN 42 Cb 0.24 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 3l7h h GLN 42 CO -0.21 -0.00 0.07 1.88 -1.93 0.00 0.00 178.83 178.64 3l7h h TYR 43 N -0.52 0.51 -0.31 3.99 -1.99 -1.27 -2.13 116.97 115.24 3l7h h TYR 43 Ca -0.03 -0.06 0.06 0.00 2.00 0.00 0.00 58.73 60.70 3l7h h TYR 43 Cb 0.39 -0.14 -0.06 0.00 2.00 0.00 0.00 36.73 38.92 3l7h h TYR 43 CO 0.01 0.55 -0.05 0.00 -0.00 0.00 0.00 178.16 178.67 3l7h h ALA 44 N 0.90 0.24 -0.08 3.88 0.00 -0.54 0.78 119.26 124.44 3l7h h ALA 44 Ca 0.10 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 3l7h h ALA 44 Cb 0.30 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3l7h h ALA 44 CO 0.00 -0.44 -0.60 0.78 0.00 0.00 0.00 179.25 178.99 3l7h h GLY 45 N 0.03 0.60 1.01 0.00 0.00 -0.88 -1.04 103.07 102.80 3l7h h GLY 45 Ca 0.15 -0.91 -0.12 0.00 0.00 0.00 0.00 47.33 46.46 3l7h h GLY 45 CO -0.30 0.81 -0.23 1.41 0.00 0.00 0.00 176.54 178.23 3l7h h LEU 46 N 0.14 0.82 -0.85 3.11 3.38 -1.28 -0.99 115.31 119.65 3l7h h LEU 46 Ca -0.05 -0.43 -0.11 0.00 0.09 0.00 0.00 57.88 57.38 3l7h h LEU 46 Cb 1.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 3l7h h LEU 46 CO 0.12 1.07 -0.30 0.24 0.09 0.00 0.00 178.44 179.66 3l7h h MET 47 N 0.57 0.51 -0.76 1.13 2.86 -0.90 -1.77 114.93 116.56 3l7h h MET 47 Ca 0.07 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 3l7h h MET 47 Cb 0.79 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.40 3l7h h MET 47 CO 0.06 0.76 0.34 0.77 1.06 0.00 0.00 176.91 179.90 3l7h h SER 48 N 0.44 1.01 0.10 1.22 0.02 -1.04 0.23 113.55 115.54 3l7h h SER 48 Ca 0.06 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.89 3l7h h SER 48 Cb 0.75 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 3l7h h SER 48 CO 0.06 0.87 -0.14 1.56 -1.14 0.00 0.00 176.83 178.04 3l7h h GLN 49 N 1.09 -0.28 -0.54 3.45 4.20 -0.75 -0.59 115.11 121.70 3l7h h GLN 49 Ca 0.26 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 3l7h h GLN 49 Cb 0.15 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3l7h h GLN 49 CO -0.03 -0.19 0.27 1.25 -0.67 0.00 0.00 178.83 179.46 3l7h h LEU 50 N -0.29 0.70 -1.19 1.46 5.85 -1.11 -1.58 115.31 119.14 3l7h h LEU 50 Ca 0.02 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.71 3l7h h LEU 50 Cb 0.30 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 3l7h h LEU 50 CO -0.07 0.62 0.57 0.00 -0.34 0.00 0.00 178.44 179.23 3l7h h ALA 51 N 1.10 1.62 -0.53 1.25 0.00 -0.47 0.22 119.26 122.45 3l7h h ALA 51 Ca 0.19 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3l7h h ALA 51 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3l7h h ALA 51 CO -0.03 0.21 -0.01 0.22 0.00 0.00 0.00 179.25 179.64 3l7h h ASP 52 N 0.91 0.93 -0.38 0.00 3.58 -0.71 0.00 116.42 120.75 3l7h h ASP 52 Ca 0.41 -0.31 -0.14 0.00 0.42 0.00 0.00 57.03 57.40 3l7h h ASP 52 Cb 0.37 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 3l7h h ASP 52 CO -0.17 1.02 -0.32 0.50 -2.88 0.00 0.00 179.24 177.39 3l7h h LYS 53 N 0.82 0.88 -0.48 0.28 1.63 -0.77 -1.92 116.57 117.01 3l7h h LYS 53 Ca 0.15 -0.44 0.05 0.00 -0.85 0.00 0.00 60.65 59.55 3l7h h LYS 53 Cb 0.55 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.14 3l7h h LYS 53 CO 0.03 1.09 0.22 0.00 -3.45 0.00 0.00 179.45 177.34 3l7h h ALA 54 N 0.77 0.60 -0.23 5.00 0.00 -0.81 0.12 119.26 124.71 3l7h h ALA 54 Ca 0.07 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3l7h h ALA 54 Cb 0.90 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3l7h h ALA 54 CO 0.08 -0.15 0.10 -0.09 0.00 0.00 0.00 179.25 179.20 3l7h h ARG 55 N 0.43 0.22 -0.22 0.00 2.43 -0.88 -1.83 114.38 114.53 3l7h h ARG 55 Ca 0.22 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.19 3l7h h ARG 55 Cb 0.16 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3l7h h ARG 55 CO -0.17 0.14 -0.59 0.66 -1.51 0.00 0.00 179.97 178.50 3l7h h SER 56 N 0.22 0.80 -0.42 -3.80 4.64 -1.03 -2.19 113.55 111.77 3l7h h SER 56 Ca 0.10 -0.45 0.04 0.00 -0.47 0.00 0.00 61.79 61.01 3l7h h SER 56 Cb 0.04 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 61.86 3l7h h SER 56 CO -0.08 1.21 0.19 0.58 -0.87 0.00 0.00 176.83 177.87 3l7h h VAL 57 N 0.53 0.95 -0.71 0.95 2.07 -0.69 0.33 116.25 119.68 3l7h h VAL 57 Ca -0.00 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3l7h h VAL 57 Cb 1.18 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 3l7h h VAL 57 CO 0.12 0.07 0.42 0.58 0.02 0.00 0.00 177.57 178.78 3l7h h VAL 58 N 0.39 1.02 -0.15 2.57 2.07 -1.22 0.07 116.25 121.00 3l7h h VAL 58 Ca 0.18 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.30 3l7h h VAL 58 Cb 0.11 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3l7h h VAL 58 CO -0.14 0.14 -0.49 0.03 0.02 0.00 0.00 177.57 177.13 3l7h h ARG 59 N 0.78 0.38 -0.60 1.57 2.47 -0.77 -0.95 114.38 117.27 3l7h h ARG 59 Ca 0.31 -0.22 -0.06 0.00 -1.26 0.00 0.00 59.98 58.75 3l7h h ARG 59 Cb 0.13 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 3l7h h ARG 59 CO -0.16 0.79 0.16 -0.44 0.56 0.00 0.00 179.97 180.88 3l7h h ASP 60 N 0.31 0.90 0.10 7.04 3.32 -0.02 -2.25 116.42 125.82 3l7h h ASP 60 Ca 0.02 -0.23 -0.16 0.00 0.02 0.00 0.00 57.03 56.68 3l7h h ASP 60 Cb 0.97 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3l7h h ASP 60 CO 0.08 0.89 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.87 3l7h h LEU 61 N 0.87 0.54 -6.18 1.55 3.38 -0.85 -3.43 115.31 111.20 3l7h h LEU 61 Ca 0.19 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3l7h h LEU 61 Cb 0.34 -0.16 -0.25 0.00 0.09 0.00 0.00 40.66 40.68 3l7h h LEU 61 CO -0.00 0.99 -0.39 -0.62 0.09 0.00 0.00 178.44 178.51 3l7h s ASP 62 N -6.92 -0.70 0.24 -0.43 -1.08 -0.37 -5.04 116.67 102.37 3l7h s ASP 62 Ca -0.07 0.39 0.20 0.00 -0.52 0.00 0.00 52.55 52.55 3l7h s ASP 62 Cb 0.11 1.69 0.95 0.00 -1.46 0.00 0.00 42.92 44.22 3l7h s ASP 62 CO 0.83 -0.29 1.62 -0.81 0.52 0.00 0.00 175.17 177.04 3l7h n PRO 63 N 5.40 0.14 0.00 4.34 -0.04 -0.86 -1.21 135.00 142.77 3l7h n PRO 63 Ca -0.00 0.50 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 3l7h n PRO 63 Cb 0.51 -1.85 0.08 0.00 -0.04 0.00 0.00 33.50 32.20 3l7h n PRO 63 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3l7h n SER 64 N -2.13 2.07 -4.93 3.54 3.41 -1.26 -4.96 113.62 109.36 3l7h n SER 64 Ca 0.01 -1.53 -0.25 0.00 -0.26 0.00 0.00 58.87 56.84 3l7h n SER 64 Cb 0.14 0.34 -0.01 0.00 -0.26 0.00 0.00 64.21 64.41 3l7h n SER 64 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3l7h s ASN 65 N -2.38 6.31 0.01 4.04 2.47 -0.35 -5.13 114.94 119.91 3l7h s ASN 65 Ca 0.21 0.59 0.01 0.00 0.42 0.00 0.00 52.86 54.10 3l7h s ASN 65 Cb 0.19 -2.09 -0.01 0.00 -1.45 0.00 0.00 41.25 37.89 3l7h s ASN 65 CO 0.51 -0.34 -0.04 -1.81 -3.72 0.00 0.00 177.10 171.70 3l7h s ASP 66 N -3.93 0.44 0.28 -4.21 1.01 -1.26 -4.58 116.67 104.43 3l7h s ASP 66 Ca 0.42 -0.18 -0.29 0.00 0.71 0.00 0.00 52.55 53.21 3l7h s ASP 66 Cb -0.10 -0.02 -0.10 0.00 1.01 0.00 0.00 42.92 43.72 3l7h s ASP 66 CO 0.37 -0.03 1.19 -0.32 0.21 0.00 0.00 175.17 176.59 3l7h s MET 67 N -0.44 4.52 -0.10 8.23 -2.45 -1.26 -4.97 119.30 122.82 3l7h s MET 67 Ca -0.02 1.96 0.09 0.00 -1.25 0.00 0.00 55.69 56.47 3l7h s MET 67 Cb -0.03 -3.16 -0.13 0.00 1.25 0.00 0.00 34.83 32.76 3l7h s MET 67 CO -0.00 0.02 0.03 0.25 1.05 0.00 0.00 175.02 176.37 3l7h n THR 68 N 1.28 0.71 -3.67 10.11 -2.24 -1.26 -4.86 114.28 114.35 3l7h n THR 68 Ca 0.00 -0.44 -0.15 0.00 -2.27 0.00 0.00 64.05 61.20 3l7h n THR 68 Cb 0.44 -0.73 -0.08 0.00 -2.10 0.00 0.00 70.33 67.86 3l7h n THR 68 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3l7h s PHE 69 N -2.25 -0.38 -0.04 4.78 0.08 -1.26 -3.93 117.98 114.98 3l7h s PHE 69 Ca -0.05 0.68 0.03 0.00 0.12 0.00 0.00 56.93 57.71 3l7h s PHE 69 Cb 0.03 0.21 0.00 0.00 -0.57 0.00 0.00 43.02 42.70 3l7h s PHE 69 CO 0.42 -0.45 -0.14 -1.17 -0.10 0.00 0.00 175.22 173.78 3l7h s LEU 70 N -1.10 1.83 -0.11 -0.37 2.96 -0.60 -5.00 118.68 116.28 3l7h s LEU 70 Ca -0.11 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 3l7h s LEU 70 Cb -0.03 -0.81 0.01 0.00 0.50 0.00 0.00 46.19 45.86 3l7h s LEU 70 CO 0.06 0.10 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.86 3l7h s ARG 71 N 0.20 2.74 -0.20 1.98 0.52 -1.26 -1.51 118.95 121.42 3l7h s ARG 71 Ca -0.05 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.40 3l7h s ARG 71 Cb -0.11 -2.17 0.03 0.00 0.52 0.00 0.00 34.95 33.22 3l7h s ARG 71 CO 0.02 0.06 -0.17 0.08 0.02 0.00 0.00 175.30 175.31 3l7h s VAL 72 N 0.63 2.14 -0.01 3.52 1.01 0.02 -4.98 120.40 122.73 3l7h s VAL 72 Ca -0.13 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 3l7h s VAL 72 Cb -0.16 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3l7h s VAL 72 CO 0.03 0.42 0.12 -0.60 0.00 0.00 0.00 175.10 175.07 3l7h s ARG 73 N 1.26 3.22 0.32 2.72 3.52 -1.26 -1.47 118.95 127.26 3l7h s ARG 73 Ca 0.02 -0.42 0.06 0.00 -0.13 0.00 0.00 55.73 55.27 3l7h s ARG 73 Cb -0.14 -2.96 -0.03 0.00 -1.56 0.00 0.00 34.95 30.26 3l7h s ARG 73 CO -0.11 0.66 0.26 -1.54 -0.81 0.00 0.00 175.30 173.76 3l7h s SER 74 N -1.80 1.55 0.25 -2.12 1.04 -0.33 -5.01 113.70 107.28 3l7h s SER 74 Ca 0.24 -1.72 -0.03 0.00 0.48 0.00 0.00 55.95 54.93 3l7h s SER 74 Cb -0.12 0.54 0.49 0.00 0.10 0.00 0.00 66.02 67.03 3l7h s SER 74 CO 0.16 -1.04 1.75 0.11 0.98 0.00 0.00 173.24 175.20 3l7h h LYS 75 N 2.18 0.55 0.00 4.02 1.79 -2.04 -3.23 116.57 119.84 3l7h h LYS 75 Ca -0.26 -0.03 -0.32 0.00 -2.18 0.00 0.00 60.65 57.86 3l7h h LYS 75 Cb 1.23 -0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 31.71 3l7h h LYS 75 CO 0.38 0.36 -1.91 1.63 -1.08 0.00 0.00 179.45 178.84 3l7h n LYS 76 N -4.91 0.65 -3.19 3.15 5.02 -1.26 -5.04 118.16 112.58 3l7h n LYS 76 Ca 0.16 0.21 -0.07 0.00 -2.02 0.00 0.00 58.31 56.58 3l7h n LYS 76 Cb 0.41 -1.71 0.02 0.00 -0.02 0.00 0.00 35.03 33.73 3l7h n LYS 76 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 3l7h n HIS 77 N -2.98 -2.00 -4.72 2.13 1.44 -1.22 -4.87 115.22 103.01 3l7h n HIS 77 Ca -0.22 -1.49 -0.24 0.00 -2.01 0.00 0.00 57.72 53.76 3l7h n HIS 77 Cb 1.08 0.70 -0.15 0.00 0.12 0.00 0.00 29.99 31.74 3l7h n HIS 77 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 3l7h s GLU 78 N -2.12 1.32 -0.09 -1.40 2.12 0.62 -1.18 118.70 117.97 3l7h s GLU 78 Ca 0.13 -0.68 0.03 0.00 0.36 0.00 0.00 54.97 54.81 3l7h s GLU 78 Cb -0.04 -1.31 0.01 0.00 0.26 0.00 0.00 34.13 33.05 3l7h s GLU 78 CO 0.10 0.35 -0.18 0.42 -0.54 0.00 0.00 175.26 175.41 3l7h s ILE 79 N -0.53 1.60 -0.03 -3.70 1.01 -0.54 -0.27 121.20 118.75 3l7h s ILE 79 Ca 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3l7h s ILE 79 Cb -0.07 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 3l7h s ILE 79 CO 0.00 0.46 0.01 -0.32 0.00 0.00 0.00 174.94 175.09 3l7h s MET 80 N 0.54 2.88 -0.05 2.79 -2.45 0.12 -0.80 119.30 122.32 3l7h s MET 80 Ca -0.16 -0.54 0.02 0.00 -1.25 0.00 0.00 55.69 53.76 3l7h s MET 80 Cb -0.17 -2.73 0.02 0.00 1.25 0.00 0.00 34.83 33.20 3l7h s MET 80 CO 0.06 0.65 -0.08 0.54 1.05 0.00 0.00 175.02 177.24 3l7h s VAL 81 N -1.04 0.76 -0.08 10.11 0.11 -0.57 -0.31 120.40 129.38 3l7h s VAL 81 Ca 0.18 -0.28 -0.04 0.00 -2.93 0.00 0.00 61.98 58.92 3l7h s VAL 81 Cb -0.12 -0.73 0.05 0.00 -1.53 0.00 0.00 36.38 34.05 3l7h s VAL 81 CO 0.08 0.27 0.18 0.00 -3.33 0.00 0.00 175.10 172.30 3l7h s ALA 82 N 0.68 -0.30 0.44 1.54 0.00 -0.05 -1.56 121.76 122.51 3l7h s ALA 82 Ca -0.11 0.71 -0.26 0.00 0.00 0.00 0.00 51.96 52.31 3l7h s ALA 82 Cb -0.14 -0.66 -0.09 0.00 0.00 0.00 0.00 23.12 22.24 3l7h s ALA 82 CO 0.01 -0.35 1.44 -1.25 0.00 0.00 0.00 175.76 175.61 3l7h s PRO 83 N 1.69 3.74 -0.18 0.00 0.04 -1.25 -1.07 135.00 137.98 3l7h s PRO 83 Ca -0.04 2.44 -0.04 0.00 0.04 0.00 0.00 61.00 63.41 3l7h s PRO 83 Cb -0.12 -2.70 0.06 0.00 0.04 0.00 0.00 34.50 31.78 3l7h s PRO 83 CO -0.07 -0.78 0.06 0.34 0.04 0.00 0.00 177.00 176.60 3l7h s ASP 84 N -0.45 2.56 1.57 6.66 -1.08 0.36 -4.88 116.67 121.42 3l7h s ASP 84 Ca 0.60 -0.68 0.00 0.00 -0.52 0.00 0.00 52.55 51.95 3l7h s ASP 84 Cb -0.44 -0.41 0.00 0.00 -1.46 0.00 0.00 42.92 40.61 3l7h s ASP 84 CO 0.57 -0.32 0.00 0.29 0.52 0.00 0.00 175.17 176.23 3l7h n LYS 85 N 5.17 0.00 -0.64 4.34 5.02 -1.26 -1.45 118.16 129.33 3l7h n LYS 85 Ca -0.08 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.24 3l7h n LYS 85 Cb 0.48 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.75 3l7h n LYS 85 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3l7h n ASP 86 N 3.89 4.18 -4.50 4.39 5.75 -1.26 -4.91 116.55 124.09 3l7h n ASP 86 Ca 0.00 -2.69 -0.25 0.00 -0.01 0.00 0.00 54.79 51.84 3l7h n ASP 86 Cb 0.00 -0.64 -0.10 0.00 -1.03 0.00 0.00 41.12 39.35 3l7h n ASP 86 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3l7h s PHE 87 N -2.22 2.31 -0.06 2.11 0.08 -0.53 -2.60 117.98 117.07 3l7h s PHE 87 Ca 0.38 -0.46 0.06 0.00 0.12 0.00 0.00 56.93 57.02 3l7h s PHE 87 Cb 0.29 -1.21 -0.01 0.00 -0.57 0.00 0.00 43.02 41.52 3l7h s PHE 87 CO 0.11 0.59 -0.25 0.42 -0.10 0.00 0.00 175.22 175.99 3l7h s ILE 88 N -2.62 2.02 -0.14 0.64 -1.09 0.01 -0.48 121.20 119.53 3l7h s ILE 88 Ca 0.31 -1.05 -0.05 0.00 -2.23 0.00 0.00 60.65 57.63 3l7h s ILE 88 Cb 0.00 -1.71 -0.04 0.00 -1.58 0.00 0.00 42.46 39.14 3l7h s ILE 88 CO 0.15 0.56 0.03 -0.76 -1.23 0.00 0.00 174.94 173.69 3l7h s LEU 89 N -0.16 3.69 -0.11 2.97 1.43 -0.23 -0.95 118.68 125.31 3l7h s LEU 89 Ca -0.03 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 3l7h s LEU 89 Cb -0.14 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.20 3l7h s LEU 89 CO 0.04 0.27 -0.19 -0.63 0.23 0.00 0.00 176.35 176.06 3l7h s ILE 90 N -0.20 1.75 -0.08 -0.59 1.01 0.02 -0.87 121.20 122.24 3l7h s ILE 90 Ca 0.06 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.93 3l7h s ILE 90 Cb -0.12 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.80 3l7h s ILE 90 CO 0.02 0.49 -0.13 -0.69 0.00 0.00 0.00 174.94 174.63 3l7h s VAL 91 N 0.79 1.23 -0.21 2.92 1.01 0.58 -1.40 120.40 125.33 3l7h s VAL 91 Ca -0.10 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 3l7h s VAL 91 Cb -0.16 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3l7h s VAL 91 CO 0.01 0.38 0.02 -0.63 0.00 0.00 0.00 175.10 174.87 3l7h s ILE 92 N 0.79 4.10 0.06 2.22 1.01 -0.56 0.11 121.20 128.93 3l7h s ILE 92 Ca -0.12 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.31 3l7h s ILE 92 Cb -0.16 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 3l7h s ILE 92 CO 0.02 0.42 -0.11 0.00 0.00 0.00 0.00 174.94 175.27 3l7h s GLN 93 N 1.03 0.71 0.00 2.79 -2.07 0.62 -0.28 119.66 122.47 3l7h s GLN 93 Ca 0.02 -0.91 0.30 0.00 -1.82 0.00 0.00 55.36 52.95 3l7h s GLN 93 Cb -0.14 -0.57 1.77 0.00 -1.09 0.00 0.00 33.01 32.97 3l7h s GLN 93 CO 0.02 0.12 2.10 0.09 -1.32 0.00 0.00 175.29 176.30