#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x40 s SER 2 N 0.00 1.15 -0.11 1.61 0.01 -1.26 -5.16 113.70 109.94 1x40 s SER 2 Ca 0.00 -0.57 -0.12 0.00 1.31 0.00 0.00 55.95 56.57 1x40 s SER 2 Cb 0.00 0.00 0.03 0.00 0.21 0.00 0.00 66.02 66.27 1x40 s SER 2 CO 0.00 -0.16 0.33 -0.55 0.41 0.00 0.00 173.24 173.27 1x40 s SER 3 N -1.63 -0.32 -0.10 2.44 0.15 -1.26 -5.08 113.70 107.90 1x40 s SER 3 Ca -0.07 0.58 -0.10 0.00 0.70 0.00 0.00 55.95 57.06 1x40 s SER 3 Cb -0.10 0.63 -0.05 0.00 -1.71 0.00 0.00 66.02 64.79 1x40 s SER 3 CO 0.01 -0.17 -0.21 0.61 1.20 0.00 0.00 173.24 174.68 1x40 n GLY 4 N 2.64 -0.31 3.81 9.45 0.00 -1.26 -5.12 105.19 114.39 1x40 n GLY 4 Ca -0.14 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 1x40 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x40 s SER 5 N -6.13 -0.21 -0.72 1.61 0.15 -1.26 -5.05 113.70 102.08 1x40 s SER 5 Ca -0.19 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1x40 s SER 5 Cb 0.05 0.61 0.18 0.00 -1.71 0.00 0.00 66.02 65.14 1x40 s SER 5 CO 0.27 -1.13 0.54 -0.55 1.20 0.00 0.00 173.24 173.57 1x40 s SER 6 N -2.94 5.24 0.62 5.45 0.15 -1.26 -5.09 113.70 115.89 1x40 s SER 6 Ca 0.12 -3.41 -0.12 0.00 0.70 0.00 0.00 55.95 53.24 1x40 s SER 6 Cb -0.04 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 1x40 s SER 6 CO 0.05 -0.22 1.03 -0.83 1.20 0.00 0.00 173.24 174.47 1x40 s GLY 7 N -0.26 1.71 -0.10 9.45 0.00 -1.26 -5.02 107.32 111.84 1x40 s GLY 7 Ca 0.22 -0.03 -0.04 0.00 0.00 0.00 0.00 44.72 44.87 1x40 s GLY 7 CO -0.09 0.25 -0.12 -0.13 0.00 0.00 0.00 173.10 173.01 1x40 n MET 8 N -2.70 0.21 -3.54 2.90 0.00 -1.26 -5.10 117.12 107.63 1x40 n MET 8 Ca 0.06 0.09 -0.14 0.00 0.00 0.00 0.00 57.70 57.71 1x40 n MET 8 Cb 0.54 -0.89 -0.05 0.00 0.00 0.00 0.00 33.22 32.82 1x40 n MET 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1x40 s SER 9 N -5.76 -0.50 -0.28 6.12 1.04 -1.26 -5.17 113.70 107.89 1x40 s SER 9 Ca -0.14 0.48 -0.18 0.00 0.48 0.00 0.00 55.95 56.60 1x40 s SER 9 Cb 0.05 0.42 0.11 0.00 0.10 0.00 0.00 66.02 66.70 1x40 s SER 9 CO 0.18 -0.51 0.84 -0.55 0.98 0.00 0.00 173.24 174.18 1x40 s SER 10 N -1.34 -0.71 -0.60 7.02 0.15 -1.26 -5.11 113.70 111.85 1x40 s SER 10 Ca -0.05 1.17 0.01 0.00 0.70 0.00 0.00 55.95 57.78 1x40 s SER 10 Cb -0.00 1.27 0.15 0.00 -1.71 0.00 0.00 66.02 65.73 1x40 s SER 10 CO 0.04 -0.19 0.38 -0.69 1.20 0.00 0.00 173.24 173.98 1x40 s VAL 11 N 1.27 3.21 -1.55 4.45 1.01 -1.26 -4.81 120.40 122.73 1x40 s VAL 11 Ca -0.07 -3.26 -0.03 0.00 0.00 0.00 0.00 61.98 58.62 1x40 s VAL 11 Cb -0.04 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.23 1x40 s VAL 11 CO -0.15 -0.86 0.20 -0.24 0.00 0.00 0.00 175.10 174.05 1x40 n SER 12 N 3.16 0.16 -4.90 3.32 2.88 -1.26 -4.92 113.62 112.05 1x40 n SER 12 Ca 0.08 -1.19 -0.32 0.00 -1.33 0.00 0.00 58.87 56.11 1x40 n SER 12 Cb 0.35 -2.05 -0.05 0.00 -0.75 0.00 0.00 64.21 61.71 1x40 n SER 12 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1x40 s GLU 13 N -7.12 3.53 -0.08 -1.46 2.12 -1.26 -5.01 118.70 109.41 1x40 s GLU 13 Ca 0.11 -0.24 0.05 0.00 0.36 0.00 0.00 54.97 55.25 1x40 s GLU 13 Cb -0.06 -2.98 -0.09 0.00 0.26 0.00 0.00 34.13 31.26 1x40 s GLU 13 CO 0.97 0.57 -0.00 0.28 -0.54 0.00 0.00 175.26 176.54 1x40 n VAL 14 N 0.40 0.53 -2.45 3.70 0.31 -1.26 -5.00 118.33 114.56 1x40 n VAL 14 Ca -0.05 -0.29 -0.41 0.00 -0.01 0.00 0.00 64.34 63.57 1x40 n VAL 14 Cb 0.52 -0.81 -0.04 0.00 -0.91 0.00 0.00 33.84 32.60 1x40 n VAL 14 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1x40 s ASN 15 N -4.19 7.19 0.10 4.52 2.47 -1.26 -4.92 114.94 118.85 1x40 s ASN 15 Ca -0.06 2.17 0.06 0.00 0.42 0.00 0.00 52.86 55.46 1x40 s ASN 15 Cb 0.03 -2.61 -0.04 0.00 -1.45 0.00 0.00 41.25 37.18 1x40 s ASN 15 CO 0.29 -0.27 -0.06 0.54 -3.72 0.00 0.00 177.10 173.87 1x40 s VAL 16 N -0.29 3.60 0.33 -5.21 0.11 -1.26 -5.02 120.40 112.67 1x40 s VAL 16 Ca 0.50 -1.19 -0.27 0.00 -2.93 0.00 0.00 61.98 58.09 1x40 s VAL 16 Cb -0.31 -2.70 -0.09 0.00 -1.53 0.00 0.00 36.38 31.74 1x40 s VAL 16 CO 0.37 0.10 1.12 -0.62 -3.33 0.00 0.00 175.10 172.73 1x40 s ASP 17 N -2.29 6.98 0.59 3.54 2.15 -1.26 -0.72 116.67 125.66 1x40 s ASP 17 Ca 0.23 2.27 0.29 0.00 0.43 0.00 0.00 52.55 55.77 1x40 s ASP 17 Cb -0.11 -2.62 1.41 0.00 -0.30 0.00 0.00 42.92 41.30 1x40 s ASP 17 CO 0.16 -0.35 1.81 -0.29 -0.17 0.00 0.00 175.17 176.33 1x40 h ILE 18 N 2.75 0.31 0.54 4.11 6.09 -0.79 -1.64 117.51 128.89 1x40 h ILE 18 Ca -0.48 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 62.99 1x40 h ILE 18 Cb 1.22 0.52 0.01 0.00 0.47 0.00 0.00 36.82 39.04 1x40 h ILE 18 CO 0.65 0.00 -0.26 0.50 -3.07 0.00 0.00 178.15 175.97 1x40 h LYS 19 N 0.00 -0.70 -1.00 2.19 3.64 -1.91 -2.53 116.57 116.26 1x40 h LYS 19 Ca 0.27 0.05 0.20 0.00 -1.27 0.00 0.00 60.65 59.89 1x40 h LYS 19 Cb 1.46 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 33.34 1x40 h LYS 19 CO -0.00 -0.47 0.61 -0.44 -2.27 0.00 0.00 179.45 176.88 1x40 h ASP 20 N -1.10 0.74 -0.20 4.20 5.19 -1.70 0.53 116.42 124.08 1x40 h ASP 20 Ca -0.07 0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1x40 h ASP 20 Cb 0.56 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 1x40 h ASP 20 CO 0.12 0.25 0.12 0.15 -3.12 0.00 0.00 179.24 176.77 1x40 h PHE 21 N 0.71 0.23 0.54 4.55 3.57 -1.43 -2.88 116.94 122.22 1x40 h PHE 21 Ca 0.57 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 62.05 1x40 h PHE 21 Cb 0.96 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.63 1x40 h PHE 21 CO -0.00 0.14 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.89 1x40 h LEU 22 N 0.25 -0.61 -1.00 0.59 3.38 -0.68 -3.11 115.31 114.13 1x40 h LEU 22 Ca 0.08 0.02 0.34 0.00 0.09 0.00 0.00 57.88 58.41 1x40 h LEU 22 Cb -0.01 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 1x40 h LEU 22 CO -0.03 -0.28 0.65 0.23 0.09 0.00 0.00 178.44 179.10 1x40 n MET 23 N -4.80 -0.02 0.17 1.13 2.81 0.02 0.17 117.12 116.60 1x40 n MET 23 Ca -0.09 0.87 -0.14 0.00 -1.81 0.00 0.00 57.70 56.53 1x40 n MET 23 Cb 0.28 -1.73 -0.08 0.00 -0.71 0.00 0.00 33.22 30.98 1x40 n MET 23 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1x40 h SER 24 N 0.00 -0.31 0.20 7.83 0.87 -1.43 -2.59 113.55 118.12 1x40 h SER 24 Ca 0.62 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.16 1x40 h SER 24 Cb 2.04 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 64.08 1x40 h SER 24 CO -0.30 -0.18 -0.09 2.30 -0.53 0.00 0.00 176.83 178.03 1x40 n ILE 25 N -5.23 0.00 -2.09 2.23 -5.35 0.45 -4.91 119.36 104.46 1x40 n ILE 25 Ca -0.10 -0.10 -0.07 0.00 -0.27 0.00 0.00 62.75 62.22 1x40 n ILE 25 Cb 0.18 0.04 -0.00 0.00 -1.74 0.00 0.00 39.64 38.11 1x40 n ILE 25 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1x40 n ASN 26 N -0.67 -2.59 -2.17 7.28 2.85 0.10 -4.95 115.26 115.12 1x40 n ASN 26 Ca 0.17 -0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.36 1x40 n ASN 26 Cb 0.28 -1.89 0.04 0.00 1.24 0.00 0.00 39.78 39.45 1x40 n ASN 26 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1x40 n LEU 27 N -0.93 5.83 0.24 1.20 7.99 -1.08 -4.68 117.00 125.57 1x40 n LEU 27 Ca -0.08 -4.65 0.13 0.00 -0.01 0.00 0.00 56.01 51.41 1x40 n LEU 27 Cb 0.55 -0.56 0.48 0.00 -0.11 0.00 0.00 43.42 43.77 1x40 n LEU 27 CO 0.09 1.92 0.88 -0.33 -1.51 0.00 0.00 177.39 178.43 1x40 h GLU 28 N 2.18 0.00 -0.41 3.23 5.08 -1.91 -3.07 114.58 119.68 1x40 h GLU 28 Ca 0.44 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.92 1x40 h GLU 28 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1x40 h GLU 28 CO 1.04 0.09 0.29 -0.56 -1.00 0.00 0.00 179.01 178.87 1x40 h GLN 29 N 0.00 0.02 0.00 2.33 3.07 -1.98 0.37 115.11 118.92 1x40 h GLN 29 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1x40 h GLN 29 Cb 0.73 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.28 1x40 h GLN 29 CO 0.01 0.02 -0.06 0.66 0.09 0.00 0.00 178.83 179.54 1x40 n TYR 30 N -4.42 0.81 -0.31 0.06 4.01 -1.16 -4.18 117.16 111.97 1x40 n TYR 30 Ca 0.07 0.24 -0.08 0.00 -0.16 0.00 0.00 57.90 57.96 1x40 n TYR 30 Cb 0.47 -0.87 -0.07 0.00 -0.31 0.00 0.00 39.34 38.56 1x40 n TYR 30 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1x40 n LEU 31 N -2.18 -0.77 -0.14 7.72 7.94 0.13 0.55 117.00 130.25 1x40 n LEU 31 Ca 0.05 1.31 -0.06 0.00 -1.11 0.00 0.00 56.01 56.20 1x40 n LEU 31 Cb 0.42 -0.17 0.01 0.00 0.53 0.00 0.00 43.42 44.20 1x40 n LEU 31 CO 0.31 -1.06 0.68 0.25 -1.11 0.00 0.00 177.39 176.45 1x40 h LEU 32 N 0.00 -0.90 -1.07 -1.96 7.12 -1.77 0.16 115.31 116.90 1x40 h LEU 32 Ca 0.12 0.18 0.20 0.00 0.13 0.00 0.00 57.88 58.51 1x40 h LEU 32 Cb 0.30 0.45 -0.10 0.00 -0.53 0.00 0.00 40.66 40.78 1x40 h LEU 32 CO -0.68 -0.28 0.61 0.45 -0.13 0.00 0.00 178.44 178.41 1x40 h HIS 33 N -0.18 1.00 -0.05 1.25 3.86 -0.16 0.42 115.15 121.30 1x40 h HIS 33 Ca 0.20 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 1x40 h HIS 33 Cb 0.50 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 1x40 h HIS 33 CO -0.51 0.21 -0.03 0.74 0.86 0.00 0.00 177.93 179.19 1x40 h PHE 34 N 0.70 0.14 0.64 2.45 0.04 0.62 -2.52 116.94 119.01 1x40 h PHE 34 Ca 0.58 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 61.28 1x40 h PHE 34 Cb 0.98 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 1x40 h PHE 34 CO -0.00 0.52 -0.42 0.45 -0.60 0.00 0.00 178.31 178.25 1x40 h HIS 35 N -0.28 -1.14 -0.97 -0.55 3.86 0.18 0.82 115.15 117.07 1x40 h HIS 35 Ca 0.01 -0.01 0.25 0.00 -1.16 0.00 0.00 60.37 59.47 1x40 h HIS 35 Cb 0.49 0.41 -0.13 0.00 1.06 0.00 0.00 27.41 29.25 1x40 h HIS 35 CO 0.08 -0.62 0.53 0.93 0.86 0.00 0.00 177.93 179.70 1x40 h GLU 36 N -1.01 0.46 -0.71 2.45 5.08 -1.07 0.29 114.58 120.08 1x40 h GLU 36 Ca -0.09 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1x40 h GLU 36 Cb 0.82 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1x40 h GLU 36 CO 0.07 0.30 0.21 1.03 -1.00 0.00 0.00 179.01 179.62 1x40 h SER 37 N 0.47 1.04 0.00 1.42 0.87 -1.07 -3.47 113.55 112.82 1x40 h SER 37 Ca 0.64 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1x40 h SER 37 Cb 1.26 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1x40 h SER 37 CO -0.52 0.98 0.00 0.61 -0.53 0.00 0.00 176.83 177.37 1x40 n GLY 38 N -0.73 0.92 3.03 5.77 0.00 0.10 -5.10 105.19 109.19 1x40 n GLY 38 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1x40 n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x40 s PHE 39 N -1.23 2.10 -0.12 1.61 0.08 0.14 -4.99 117.98 115.57 1x40 s PHE 39 Ca 0.00 -1.11 0.03 0.00 0.12 0.00 0.00 56.93 55.97 1x40 s PHE 39 Cb 0.00 -1.54 -0.10 0.00 -0.57 0.00 0.00 43.02 40.82 1x40 s PHE 39 CO 0.00 -0.60 -0.08 0.25 -0.10 0.00 0.00 175.22 174.69 1x40 n THR 40 N 4.56 0.74 -4.58 0.64 -2.24 -1.26 -3.35 114.28 108.79 1x40 n THR 40 Ca -0.18 -0.32 -0.27 0.00 -2.27 0.00 0.00 64.05 61.01 1x40 n THR 40 Cb 0.50 -0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 67.74 1x40 n THR 40 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1x40 s THR 41 N -2.26 1.31 0.21 4.28 -4.23 -1.26 -0.17 115.64 113.51 1x40 s THR 41 Ca -0.14 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.30 1x40 s THR 41 Cb 0.04 -2.64 0.06 0.00 1.34 0.00 0.00 72.50 71.31 1x40 s THR 41 CO 0.33 0.00 1.66 0.58 -0.54 0.00 0.00 174.62 176.65 1x40 h VAL 42 N 1.79 1.26 -0.77 2.29 2.07 -1.17 -3.05 116.25 118.66 1x40 h VAL 42 Ca -0.41 -1.19 0.18 0.00 0.82 0.00 0.00 66.70 66.10 1x40 h VAL 42 Cb 1.26 0.94 -0.12 0.00 -1.52 0.00 0.00 31.29 31.85 1x40 h VAL 42 CO 0.72 0.42 0.12 0.11 0.02 0.00 0.00 177.57 178.96 1x40 h LYS 43 N 0.84 0.19 -0.55 1.57 1.79 -1.97 0.66 116.57 119.10 1x40 h LYS 43 Ca 0.14 -0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.76 1x40 h LYS 43 Cb 0.60 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 1x40 h LYS 43 CO 0.04 0.12 0.41 0.22 -1.08 0.00 0.00 179.45 179.16 1x40 h ASP 44 N 0.19 0.00 0.25 0.86 1.82 -1.93 0.31 116.42 117.92 1x40 h ASP 44 Ca 0.44 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 57.08 1x40 h ASP 44 Cb 0.80 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.81 1x40 h ASP 44 CO -0.60 0.00 -0.00 0.00 -1.61 0.00 0.00 179.24 177.03 1x40 h ALA 46 N 2.00 3.09 0.00 0.00 0.00 -0.43 1.19 119.26 125.11 1x40 h ALA 46 Ca -0.00 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1x40 h ALA 46 Cb 0.13 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1x40 h ALA 46 CO 0.00 -1.65 -1.71 0.00 0.00 0.00 0.00 179.25 175.89 1x40 n ALA 47 N -2.67 2.21 -1.78 0.00 0.00 -1.09 -4.94 120.51 112.25 1x40 n ALA 47 Ca 0.37 -0.64 -0.41 0.00 0.00 0.00 0.00 53.44 52.77 1x40 n ALA 47 Cb 1.55 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 20.21 1x40 n ALA 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x40 s ILE 48 N -3.09 2.45 0.26 0.00 1.01 0.41 -5.01 121.20 117.23 1x40 s ILE 48 Ca -0.05 0.45 0.02 0.00 0.00 0.00 0.00 60.65 61.07 1x40 s ILE 48 Cb 0.10 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1x40 s ILE 48 CO 0.84 0.11 0.18 0.21 0.00 0.00 0.00 174.94 176.28 1x40 s ASN 49 N -0.32 0.84 0.27 3.58 3.84 -1.26 -4.97 114.94 116.92 1x40 s ASN 49 Ca 0.51 -1.52 -0.07 0.00 0.21 0.00 0.00 52.86 51.99 1x40 s ASN 49 Cb -0.42 0.43 0.48 0.00 -0.55 0.00 0.00 41.25 41.18 1x40 s ASN 49 CO 0.57 -0.91 1.59 -2.24 -2.79 0.00 0.00 177.10 173.31 1x40 h ASP 50 N 2.41 -0.68 -0.46 -4.21 3.04 -1.96 1.01 116.42 115.58 1x40 h ASP 50 Ca -0.32 0.26 -0.02 0.00 -3.24 0.00 0.00 57.03 53.71 1x40 h ASP 50 Cb 1.24 0.51 -0.02 0.00 -1.04 0.00 0.00 39.33 40.02 1x40 h ASP 50 CO 0.48 -0.29 0.24 0.28 -2.04 0.00 0.00 179.24 177.91 1x40 h SER 51 N 0.02 0.61 -0.41 4.15 0.02 -1.98 -2.45 113.55 113.51 1x40 h SER 51 Ca 0.47 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.29 1x40 h SER 51 Cb 0.80 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1x40 h SER 51 CO -0.88 0.52 -0.04 0.25 -1.14 0.00 0.00 176.83 175.54 1x40 h LEU 52 N 0.69 0.74 -0.51 5.07 7.12 0.60 0.19 115.31 129.21 1x40 h LEU 52 Ca 0.17 -0.33 0.02 0.00 0.13 0.00 0.00 57.88 57.87 1x40 h LEU 52 Cb 0.07 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 39.97 1x40 h LEU 52 CO -0.02 0.90 0.32 -0.07 -0.13 0.00 0.00 178.44 179.43 1x40 h LEU 53 N 0.57 0.53 0.00 2.25 -0.00 -0.63 -0.12 115.31 117.91 1x40 h LEU 53 Ca 0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1x40 h LEU 53 Cb 0.54 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 1x40 h LEU 53 CO 0.03 0.38 -0.01 0.06 -0.00 0.00 0.00 178.44 178.90 1x40 h GLN 54 N 0.64 0.00 0.07 1.13 3.07 -1.38 -3.04 115.11 115.60 1x40 h GLN 54 Ca 0.20 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.69 1x40 h GLN 54 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.53 1x40 h GLN 54 CO -0.07 0.00 -1.17 0.87 0.09 0.00 0.00 178.83 178.55 1x40 h LYS 55 N 0.00 0.14 0.00 0.06 1.57 0.36 -3.27 116.57 115.44 1x40 h LYS 55 Ca 0.00 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 1x40 h LYS 55 Cb 0.79 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1x40 h LYS 55 CO 0.00 1.09 -0.40 -0.84 -0.57 0.00 0.00 179.45 178.73 1x40 h ILE 56 N 0.04 1.15 0.00 1.86 3.07 -1.06 -3.47 117.51 119.09 1x40 h ILE 56 Ca -0.09 -1.44 0.00 0.00 1.55 0.00 0.00 64.86 64.88 1x40 h ILE 56 Cb 1.89 1.81 0.00 0.00 -0.27 0.00 0.00 36.82 40.25 1x40 h ILE 56 CO 0.16 0.39 0.00 0.61 -1.05 0.00 0.00 178.15 178.27 1x40 n GLY 57 N -0.17 2.19 2.36 0.16 0.00 -1.23 -5.00 105.19 103.50 1x40 n GLY 57 Ca -0.01 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1x40 n GLY 57 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x40 n ILE 58 N 0.00 0.00 0.15 -0.61 5.41 -1.15 -4.80 119.36 118.36 1x40 n ILE 58 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 1x40 n ILE 58 Cb 0.00 -0.35 -0.05 0.00 -0.71 0.00 0.00 39.64 38.53 1x40 n ILE 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1x40 h SER 59 N 7.42 -0.39 -3.41 4.38 0.02 -1.89 -3.40 113.55 116.28 1x40 h SER 59 Ca -0.05 -0.07 -0.52 0.00 -0.84 0.00 0.00 61.79 60.31 1x40 h SER 59 Cb 0.95 0.10 0.03 0.00 0.14 0.00 0.00 62.40 63.62 1x40 h SER 59 CO 0.87 0.07 0.64 -2.16 -1.14 0.00 0.00 176.83 175.12 1x40 s PRO 60 N -3.34 4.40 -0.07 3.45 0.04 -1.26 -4.96 135.00 133.25 1x40 s PRO 60 Ca -0.09 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.79 1x40 s PRO 60 Cb 0.01 -3.19 -0.30 0.00 0.04 0.00 0.00 34.50 31.05 1x40 s PRO 60 CO 0.29 -0.24 0.80 1.15 0.04 0.00 0.00 177.00 179.05 1x40 h THR 61 N 3.71 1.40 -0.99 1.26 2.02 -2.01 -3.34 112.91 114.96 1x40 h THR 61 Ca -0.45 -2.50 0.38 0.00 0.77 0.00 0.00 66.41 64.61 1x40 h THR 61 Cb 1.21 3.08 -0.14 0.00 -1.74 0.00 0.00 68.15 70.57 1x40 h THR 61 CO 0.76 0.70 0.58 0.61 0.37 0.00 0.00 175.52 178.55 1x40 n GLY 62 N 1.68 -0.67 0.23 2.16 0.00 -1.26 0.22 105.19 107.54 1x40 n GLY 62 Ca -0.17 0.67 -0.17 0.00 0.00 0.00 0.00 46.02 46.36 1x40 n GLY 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1x40 h HIS 63 N 0.00 1.08 -0.15 1.61 -0.00 -1.99 -3.17 115.15 112.52 1x40 h HIS 63 Ca 0.74 -0.46 0.05 0.00 -0.00 0.00 0.00 60.37 60.70 1x40 h HIS 63 Cb 2.13 -0.17 -0.07 0.00 -0.00 0.00 0.00 27.41 29.30 1x40 h HIS 63 CO -0.01 1.29 -0.33 0.00 -0.00 0.00 0.00 177.93 178.89 1x40 h ARG 64 N 0.56 -0.37 -0.42 2.45 3.08 0.25 0.68 114.38 120.61 1x40 h ARG 64 Ca -0.04 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1x40 h ARG 64 Cb 1.35 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 31.42 1x40 h ARG 64 CO 0.15 -0.25 0.00 0.00 -1.07 0.00 0.00 179.97 178.80 1x40 h ARG 65 N -0.39 0.11 -0.54 0.04 3.08 -1.55 -0.75 114.38 114.37 1x40 h ARG 65 Ca 0.10 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.19 1x40 h ARG 65 Cb 0.55 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 1x40 h ARG 65 CO -0.37 0.07 0.29 -0.09 -1.07 0.00 0.00 179.97 178.80 1x40 h ARG 66 N 0.11 0.54 0.78 0.04 2.43 -1.33 0.16 114.38 117.11 1x40 h ARG 66 Ca 0.21 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1x40 h ARG 66 Cb 0.30 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1x40 h ARG 66 CO -0.35 0.36 -0.44 0.82 -1.51 0.00 0.00 179.97 178.85 1x40 h ILE 67 N 0.56 0.11 -0.38 1.20 2.04 0.02 -3.04 117.51 118.02 1x40 h ILE 67 Ca 0.24 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.17 1x40 h ILE 67 Cb 0.12 0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 36.24 1x40 h ILE 67 CO -0.15 0.00 -0.05 -0.07 0.00 0.00 0.00 178.15 177.88 1x40 h LEU 68 N -1.14 -0.25 -0.84 1.44 3.38 -1.03 -2.18 115.31 114.69 1x40 h LEU 68 Ca -0.10 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1x40 h LEU 68 Cb 0.90 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.74 1x40 h LEU 68 CO 0.13 -0.08 -0.50 1.17 0.09 0.00 0.00 178.44 179.25 1x40 n LYS 69 N -5.24 -0.37 -0.16 1.13 0.00 0.03 0.18 118.16 113.74 1x40 n LYS 69 Ca 0.02 1.29 -0.08 0.00 0.00 0.00 0.00 58.31 59.55 1x40 n LYS 69 Cb 0.20 -1.90 0.01 0.00 0.00 0.00 0.00 35.03 33.34 1x40 n LYS 69 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1x40 h GLN 70 N 0.00 0.64 -0.49 1.64 1.08 -1.39 -2.63 115.11 113.96 1x40 h GLN 70 Ca 0.14 -0.07 0.10 0.00 -1.45 0.00 0.00 58.65 57.37 1x40 h GLN 70 Cb 0.35 -0.13 -0.09 0.00 -0.05 0.00 0.00 27.48 27.55 1x40 h GLN 70 CO -0.79 0.49 -0.14 -0.07 -0.95 0.00 0.00 178.83 177.37 1x40 h LEU 71 N 0.62 -0.50 0.45 1.46 3.38 0.37 0.19 115.31 121.28 1x40 h LEU 71 Ca 0.17 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1x40 h LEU 71 Cb 0.02 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1x40 h LEU 71 CO -0.03 -0.18 -0.32 1.56 0.09 0.00 0.00 178.44 179.56 1x40 h GLN 72 N -0.02 -0.73 -0.16 1.13 1.08 -0.46 0.42 115.11 116.37 1x40 h GLN 72 Ca 0.23 0.05 0.05 0.00 -1.45 0.00 0.00 58.65 57.53 1x40 h GLN 72 Cb 0.38 0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 27.91 1x40 h GLN 72 CO -0.51 -0.49 -0.24 0.82 -0.95 0.00 0.00 178.83 177.47 1x40 h ILE 73 N -0.76 0.42 0.39 2.54 2.04 -1.05 0.67 117.51 121.76 1x40 h ILE 73 Ca -0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1x40 h ILE 73 Cb 0.64 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1x40 h ILE 73 CO 0.02 0.00 -0.19 0.40 0.00 0.00 0.00 178.15 178.38 1x40 h ILE 74 N -0.28 0.00 -0.98 -0.67 2.04 -0.51 -3.06 117.51 114.05 1x40 h ILE 74 Ca 0.11 -0.03 0.30 0.00 1.00 0.00 0.00 64.86 66.25 1x40 h ILE 74 Cb 0.45 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.36 1x40 h ILE 74 CO -0.33 0.00 0.19 -0.07 0.00 0.00 0.00 178.15 177.95 1x40 h LEU 75 N -0.55 -0.19 -0.52 1.44 3.38 -0.12 0.28 115.31 119.03 1x40 h LEU 75 Ca -0.05 0.26 0.10 0.00 0.09 0.00 0.00 57.88 58.28 1x40 h LEU 75 Cb 0.40 0.39 -0.11 0.00 0.09 0.00 0.00 40.66 41.44 1x40 h LEU 75 CO 0.09 -0.34 -0.27 -1.28 0.09 0.00 0.00 178.44 176.73 1x40 h SER 76 N 0.04 -0.92 0.09 -0.43 0.87 -0.76 -2.57 113.55 109.87 1x40 h SER 76 Ca 0.66 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 61.42 1x40 h SER 76 Cb 1.47 0.48 -0.02 0.00 -0.44 0.00 0.00 62.40 63.89 1x40 h SER 76 CO -0.84 -0.28 -0.26 0.11 -0.53 0.00 0.00 176.83 175.03 1x40 h LYS 77 N -0.14 -0.38 -5.07 2.24 1.57 -0.37 -3.41 116.57 111.00 1x40 h LYS 77 Ca 0.23 0.03 -0.48 0.00 -1.87 0.00 0.00 60.65 58.55 1x40 h LYS 77 Cb 0.51 0.09 0.18 0.00 0.08 0.00 0.00 32.23 33.09 1x40 h LYS 77 CO -0.60 -0.25 -1.30 -1.33 -0.57 0.00 0.00 179.45 175.40 1x40 n MET 78 N -3.95 0.00 -1.29 3.15 2.81 -0.97 -4.46 117.12 112.41 1x40 n MET 78 Ca -0.04 0.00 -0.52 0.00 -1.81 0.00 0.00 57.70 55.33 1x40 n MET 78 Cb 0.21 -0.84 -0.08 0.00 -0.71 0.00 0.00 33.22 31.80 1x40 n MET 78 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1x40 n GLN 79 N 1.72 0.00 -0.92 0.03 6.02 -1.26 -4.75 117.38 118.21 1x40 n GLN 79 Ca 0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.87 1x40 n GLN 79 Cb 0.44 -1.16 -0.02 0.00 1.02 0.00 0.00 30.24 30.52 1x40 n GLN 79 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1x40 n ASP 80 N 3.51 6.05 -4.81 1.08 -0.08 -1.26 -4.93 116.55 116.10 1x40 n ASP 80 Ca 0.27 -2.86 -0.35 0.00 -1.51 0.00 0.00 54.79 50.34 1x40 n ASP 80 Cb -0.04 -1.15 -0.07 0.00 2.34 0.00 0.00 41.12 42.19 1x40 n ASP 80 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1x40 s ILE 81 N -1.31 4.34 0.63 5.18 -4.36 -1.26 -5.04 121.20 119.38 1x40 s ILE 81 Ca 0.33 1.58 -0.16 0.00 -0.26 0.00 0.00 60.65 62.15 1x40 s ILE 81 Cb 0.22 -3.79 -0.01 0.00 1.25 0.00 0.00 42.46 40.13 1x40 s ILE 81 CO -0.04 -0.09 1.12 -2.16 0.24 0.00 0.00 174.94 174.01 1x40 s PRO 82 N -2.62 2.94 0.37 0.37 0.04 -1.26 -4.97 135.00 129.86 1x40 s PRO 82 Ca 0.55 1.45 -0.28 0.00 0.04 0.00 0.00 61.00 62.76 1x40 s PRO 82 Cb -0.14 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 1x40 s PRO 82 CO 0.18 -1.15 1.46 0.42 0.04 0.00 0.00 177.00 177.95 1x40 s ILE 83 N -2.19 2.13 -0.43 0.56 -1.09 -1.26 -4.94 121.20 113.97 1x40 s ILE 83 Ca 0.68 0.13 0.05 0.00 -2.23 0.00 0.00 60.65 59.28 1x40 s ILE 83 Cb -0.21 -3.08 0.43 0.00 -1.58 0.00 0.00 42.46 38.01 1x40 s ILE 83 CO 0.38 0.03 1.23 -1.22 -1.23 0.00 0.00 174.94 174.13 1x40 n TYR 84 N 0.47 3.19 -3.59 3.97 4.02 -1.26 -4.90 117.16 119.06 1x40 n TYR 84 Ca 0.01 -2.80 -0.23 0.00 -0.01 0.00 0.00 57.90 54.87 1x40 n TYR 84 Cb 0.40 -0.28 0.08 0.00 -0.02 0.00 0.00 39.34 39.52 1x40 n TYR 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1x40 n ALA 85 N -0.57 -1.43 -0.12 -0.72 0.00 -1.26 -4.90 120.51 111.52 1x40 n ALA 85 Ca 0.42 0.32 -0.08 0.00 0.00 0.00 0.00 53.44 54.11 1x40 n ALA 85 Cb 0.72 -4.97 -0.02 0.00 0.00 0.00 0.00 19.45 15.18 1x40 n ALA 85 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x40 h SER 86 N -2.55 -1.10 -3.76 0.00 0.02 -1.99 -3.44 113.55 100.74 1x40 h SER 86 Ca -0.57 0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 60.51 1x40 h SER 86 Cb 1.37 0.51 -0.00 0.00 0.14 0.00 0.00 62.40 64.41 1x40 h SER 86 CO 0.56 -0.32 -0.03 0.61 -1.14 0.00 0.00 176.83 176.51 1x40 n GLY 87 N -1.42 2.96 3.77 -3.77 0.00 -1.26 -5.10 105.19 100.37 1x40 n GLY 87 Ca 0.01 -2.18 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 1x40 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x40 s PRO 88 N -2.22 4.05 -0.32 1.61 0.04 -1.26 -5.01 135.00 131.90 1x40 s PRO 88 Ca 0.03 1.89 -0.16 0.00 0.04 0.00 0.00 61.00 62.81 1x40 s PRO 88 Cb -0.00 -2.70 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 1x40 s PRO 88 CO 0.02 -0.34 0.41 -1.12 0.04 0.00 0.00 177.00 176.02 1x40 s SER 89 N -1.06 6.25 -0.30 6.66 0.01 -1.26 -5.02 113.70 118.98 1x40 s SER 89 Ca 0.57 0.03 -0.05 0.00 1.31 0.00 0.00 55.95 57.81 1x40 s SER 89 Cb -0.32 -2.22 0.17 0.00 0.21 0.00 0.00 66.02 63.85 1x40 s SER 89 CO 0.40 -0.32 0.64 -0.94 0.41 0.00 0.00 173.24 173.43 1x40 s SER 90 N 1.70 -1.27 0.00 2.44 1.04 -1.26 -5.29 113.70 111.06 1x40 s SER 90 Ca 0.15 1.10 0.00 0.00 0.48 0.00 0.00 55.95 57.68 1x40 s SER 90 Cb -0.16 2.19 0.00 0.00 0.10 0.00 0.00 66.02 68.15 1x40 s SER 90 CO 0.11 -0.24 0.36 0.61 0.98 0.00 0.00 173.24 175.07