#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 4.97 -0.12 1.61 0.01 -1.26 -5.09 113.70 113.82 1x40 s SER 2 Ca 0.00 -0.14 -0.24 0.00 1.31 0.00 0.00 55.95 56.89 1x40 s SER 2 Cb 0.00 -1.84 0.06 0.00 0.21 0.00 0.00 66.02 64.44 1x40 s SER 2 CO 0.00 0.10 0.57 -0.44 0.41 0.00 0.00 173.24 173.88 1x40 s SER 3 N 0.79 -0.55 0.00 2.44 0.01 -1.26 -4.98 113.70 110.14 1x40 s SER 3 Ca 0.01 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1x40 s SER 3 Cb -0.14 0.79 0.00 0.00 0.21 0.00 0.00 66.02 66.88 1x40 s SER 3 CO 0.02 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1x40 n GLY 4 N 1.77 -1.00 3.51 3.44 0.00 -1.26 -4.84 105.19 106.81 1x40 n GLY 4 Ca -0.17 -1.24 -0.44 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.47 6.96 0.22 1.61 0.15 -1.26 -4.94 113.70 114.98 1x40 s SER 5 Ca 0.00 -2.73 0.00 0.00 0.70 0.00 0.00 55.95 53.92 1x40 s SER 5 Cb 0.00 -2.47 -0.05 0.00 -1.71 0.00 0.00 66.02 61.80 1x40 s SER 5 CO 0.00 -0.92 0.10 -0.94 1.20 0.00 0.00 173.24 172.68 1x40 s SER 6 N 3.40 0.74 0.00 5.45 1.04 -1.26 -5.10 113.70 117.97 1x40 s SER 6 Ca 0.46 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1x40 s SER 6 Cb -0.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1x40 s SER 6 CO 0.02 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1x40 n GLY 7 N -0.35 -1.59 3.93 7.32 0.00 -1.26 -5.15 105.19 108.09 1x40 n GLY 7 Ca 0.00 0.72 -0.27 0.00 0.00 0.00 0.00 46.02 46.46 1x40 n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x40 s MET 8 N 0.57 3.48 0.43 1.61 1.00 -1.26 -5.12 119.30 120.02 1x40 s MET 8 Ca 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 55.69 55.28 1x40 s MET 8 Cb 0.00 -2.91 -0.05 0.00 0.00 0.00 0.00 34.83 31.87 1x40 s MET 8 CO 0.00 0.48 0.03 -1.54 0.00 0.00 0.00 175.02 173.98 1x40 s SER 9 N -3.10 3.65 0.10 3.03 1.04 -1.26 -5.15 113.70 112.00 1x40 s SER 9 Ca 0.36 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1x40 s SER 9 Cb -0.11 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 1x40 s SER 9 CO 0.29 -0.65 0.25 -0.55 0.98 0.00 0.00 173.24 173.55 1x40 s SER 10 N -3.73 6.36 0.31 7.02 0.15 -1.26 -5.05 113.70 117.51 1x40 s SER 10 Ca 0.24 0.27 -0.28 0.00 0.70 0.00 0.00 55.95 56.89 1x40 s SER 10 Cb 0.06 -1.96 -0.13 0.00 -1.71 0.00 0.00 66.02 62.28 1x40 s SER 10 CO 0.12 0.12 1.08 0.55 1.20 0.00 0.00 173.24 176.31 1x40 n VAL 11 N 0.01 2.03 -2.72 4.45 3.14 -1.26 -4.86 118.33 119.12 1x40 n VAL 11 Ca -0.05 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.40 1x40 n VAL 11 Cb 0.52 -1.15 -0.02 0.00 -1.06 0.00 0.00 33.84 32.13 1x40 n VAL 11 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1x40 s SER 12 N -0.51 6.71 0.12 6.55 1.04 -1.26 -4.80 113.70 121.56 1x40 s SER 12 Ca 0.58 -2.10 -0.12 0.00 0.48 0.00 0.00 55.95 54.78 1x40 s SER 12 Cb -0.66 -2.50 -0.07 0.00 0.10 0.00 0.00 66.02 62.89 1x40 s SER 12 CO 0.60 -1.19 1.43 -0.33 0.98 0.00 0.00 173.24 174.74 1x40 h GLU 13 N 8.56 0.85 -0.19 4.02 5.08 -2.05 -3.06 114.58 127.80 1x40 h GLU 13 Ca 0.27 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1x40 h GLU 13 Cb 0.95 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1x40 h GLU 13 CO 1.33 1.12 -0.08 -0.24 -1.00 0.00 0.00 179.01 180.15 1x40 h VAL 14 N 0.64 1.17 -4.22 3.13 3.04 -1.98 -3.43 116.25 114.60 1x40 h VAL 14 Ca 0.04 -0.70 -0.53 0.00 -1.01 0.00 0.00 66.70 64.50 1x40 h VAL 14 Cb 1.01 1.12 0.16 0.00 -2.01 0.00 0.00 31.29 31.56 1x40 h VAL 14 CO 0.10 0.23 0.34 0.21 -1.01 0.00 0.00 177.57 177.43 1x40 s ASN 15 N -6.86 3.92 0.02 3.17 2.47 -1.16 -5.05 114.94 111.46 1x40 s ASN 15 Ca -0.06 2.23 0.01 0.00 0.42 0.00 0.00 52.86 55.46 1x40 s ASN 15 Cb 0.16 -2.57 -0.02 0.00 -1.45 0.00 0.00 41.25 37.36 1x40 s ASN 15 CO 0.73 -2.44 -0.04 0.68 -3.72 0.00 0.00 177.10 172.31 1x40 s VAL 16 N -2.29 0.24 0.52 -5.21 -7.23 -1.26 -5.04 120.40 100.13 1x40 s VAL 16 Ca 0.70 -0.88 -0.22 0.00 -1.81 0.00 0.00 61.98 59.77 1x40 s VAL 16 Cb -0.25 -0.35 -0.06 0.00 0.56 0.00 0.00 36.38 36.28 1x40 s VAL 16 CO 0.50 -0.41 1.34 -0.62 -0.31 0.00 0.00 175.10 175.60 1x40 s ASP 17 N -1.35 5.47 0.34 4.85 2.15 -1.26 -1.40 116.67 125.47 1x40 s ASP 17 Ca -0.12 2.73 0.13 0.00 0.43 0.00 0.00 52.55 55.72 1x40 s ASP 17 Cb -0.09 -2.63 1.04 0.00 -0.30 0.00 0.00 42.92 40.94 1x40 s ASP 17 CO -0.00 -1.43 1.66 -0.29 -0.17 0.00 0.00 175.17 174.94 1x40 h ILE 18 N 1.62 0.31 0.27 4.11 6.09 -0.81 -1.38 117.51 127.72 1x40 h ILE 18 Ca -0.51 -0.11 -0.01 0.00 -1.37 0.00 0.00 64.86 62.86 1x40 h ILE 18 Cb 1.29 -0.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 1x40 h ILE 18 CO 0.58 0.06 -0.24 0.50 -3.07 0.00 0.00 178.15 175.98 1x40 h LYS 19 N 0.33 -0.48 -0.95 2.19 3.64 -1.90 -0.96 116.57 118.44 1x40 h LYS 19 Ca 0.71 0.03 0.27 0.00 -1.27 0.00 0.00 60.65 60.39 1x40 h LYS 19 Cb 1.60 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 33.49 1x40 h LYS 19 CO -0.61 -0.32 0.67 -0.44 -2.27 0.00 0.00 179.45 176.48 1x40 h ASP 20 N -0.50 0.06 0.01 4.20 3.32 -1.65 0.45 116.42 122.31 1x40 h ASP 20 Ca -0.03 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 1x40 h ASP 20 Cb 0.43 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1x40 h ASP 20 CO -0.01 0.02 -0.36 0.15 -1.72 0.00 0.00 179.24 177.31 1x40 h PHE 21 N 0.06 0.56 0.07 4.55 3.57 -0.57 -3.14 116.94 122.05 1x40 h PHE 21 Ca 0.46 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 1x40 h PHE 21 Cb 1.73 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.34 1x40 h PHE 21 CO -0.00 0.78 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.76 1x40 h LEU 22 N 0.41 -0.08 -1.24 0.59 3.38 0.12 -3.29 115.31 115.19 1x40 h LEU 22 Ca 0.04 0.00 0.36 0.00 0.09 0.00 0.00 57.88 58.38 1x40 h LEU 22 Cb 0.83 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 1x40 h LEU 22 CO 0.07 0.34 1.18 0.23 0.09 0.00 0.00 178.44 180.35 1x40 n MET 23 N -4.48 0.01 -0.07 1.13 2.81 -0.45 0.19 117.12 116.26 1x40 n MET 23 Ca -0.01 0.95 -0.12 0.00 -1.81 0.00 0.00 57.70 56.70 1x40 n MET 23 Cb 0.04 -2.30 -0.06 0.00 -0.71 0.00 0.00 33.22 30.19 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 0.45 -0.03 7.83 0.87 -1.61 -3.08 113.55 117.98 1x40 h SER 24 Ca 0.59 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1x40 h SER 24 Cb 2.95 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 64.78 1x40 h SER 24 CO -0.01 0.78 0.00 2.30 -0.53 0.00 0.00 176.83 179.37 1x40 n ILE 25 N -4.54 0.01 -2.43 2.23 -5.35 0.51 -4.93 119.36 104.86 1x40 n ILE 25 Ca -0.05 -0.34 -0.08 0.00 -0.27 0.00 0.00 62.75 62.01 1x40 n ILE 25 Cb 0.34 0.86 0.01 0.00 -1.74 0.00 0.00 39.64 39.10 1x40 n ILE 25 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1x40 n ASN 26 N 0.60 -3.03 -2.11 7.28 4.13 0.55 -4.95 115.26 117.73 1x40 n ASN 26 Ca 0.17 -0.08 -0.25 0.00 1.68 0.00 0.00 54.58 56.11 1x40 n ASN 26 Cb 0.44 -2.06 0.02 0.00 -1.54 0.00 0.00 39.78 36.65 1x40 n ASN 26 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x40 n LEU 27 N -1.44 4.96 0.10 3.41 7.99 -1.07 -4.76 117.00 126.19 1x40 n LEU 27 Ca -0.05 -4.82 -0.01 0.00 -0.01 0.00 0.00 56.01 51.12 1x40 n LEU 27 Cb 0.55 -0.38 0.26 0.00 -0.11 0.00 0.00 43.42 43.74 1x40 n LEU 27 CO 0.15 2.12 0.70 -0.33 -1.51 0.00 0.00 177.39 178.51 1x40 h GLU 28 N 2.25 0.23 -0.15 3.23 3.07 -1.91 -2.79 114.58 118.51 1x40 h GLU 28 Ca 0.36 -0.10 0.04 0.00 -0.50 0.00 0.00 59.36 59.17 1x40 h GLU 28 Cb 1.42 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.31 1x40 h GLU 28 CO 0.80 0.56 0.60 -0.56 -1.40 0.00 0.00 179.01 179.01 1x40 h GLN 29 N 0.20 0.00 -1.83 2.33 3.07 -1.98 0.10 115.11 117.00 1x40 h GLN 29 Ca 0.02 0.00 -0.74 0.00 0.09 0.00 0.00 58.65 58.03 1x40 h GLN 29 Cb 0.72 0.00 -0.27 0.00 0.08 0.00 0.00 27.48 28.02 1x40 h GLN 29 CO 0.05 0.00 1.00 0.66 0.09 0.00 0.00 178.83 180.63 1x40 n TYR 30 N -2.94 2.94 -0.04 0.06 4.01 -1.05 -4.46 117.16 115.67 1x40 n TYR 30 Ca 0.02 -2.41 -0.13 0.00 -0.16 0.00 0.00 57.90 55.21 1x40 n TYR 30 Cb 0.68 -1.24 -0.14 0.00 -0.31 0.00 0.00 39.34 38.33 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 -0.52 1.42 -0.03 7.72 7.94 0.02 -3.99 117.00 129.56 1x40 n LEU 31 Ca 0.55 0.20 -0.14 0.00 -1.11 0.00 0.00 56.01 55.51 1x40 n LEU 31 Cb 0.32 -0.24 -0.09 0.00 0.53 0.00 0.00 43.42 43.94 1x40 n LEU 31 CO 0.55 0.60 0.47 0.25 -1.11 0.00 0.00 177.39 178.15 1x40 h LEU 32 N 0.02 0.33 -0.17 -1.96 7.12 -1.84 -2.72 115.31 116.10 1x40 h LEU 32 Ca -0.41 -0.63 0.05 0.00 0.13 0.00 0.00 57.88 57.02 1x40 h LEU 32 Cb 2.05 -0.10 -0.07 0.00 -0.53 0.00 0.00 40.66 42.02 1x40 h LEU 32 CO 0.05 0.91 -0.32 0.45 -0.13 0.00 0.00 178.44 179.39 1x40 h HIS 33 N -0.22 -0.89 0.70 1.25 3.86 -1.88 -0.41 115.15 117.57 1x40 h HIS 33 Ca -0.01 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1x40 h HIS 33 Cb 0.89 0.42 -0.01 0.00 1.06 0.00 0.00 27.41 29.76 1x40 h HIS 33 CO 0.13 -0.40 -0.50 0.74 0.86 0.00 0.00 177.93 178.76 1x40 h PHE 34 N -0.38 -1.36 -0.12 2.45 -1.00 -1.69 -0.76 116.94 114.08 1x40 h PHE 34 Ca 0.10 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.89 1x40 h PHE 34 Cb 0.54 0.50 -0.02 0.00 3.61 0.00 0.00 35.95 40.58 1x40 h PHE 34 CO -0.43 -0.72 -0.12 0.45 -1.61 0.00 0.00 178.31 175.88 1x40 h HIS 35 N -1.15 -0.38 -1.03 -0.55 3.86 -1.25 0.21 115.15 114.86 1x40 h HIS 35 Ca -0.09 0.02 0.29 0.00 -1.16 0.00 0.00 60.37 59.42 1x40 h HIS 35 Cb 0.95 0.18 -0.13 0.00 1.06 0.00 0.00 27.41 29.47 1x40 h HIS 35 CO -0.16 -0.10 0.62 0.93 0.86 0.00 0.00 177.93 180.08 1x40 h GLU 36 N -0.06 0.42 -0.38 2.45 4.39 -1.09 0.64 114.58 120.94 1x40 h GLU 36 Ca 0.02 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1x40 h GLU 36 Cb 0.12 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1x40 h GLU 36 CO -0.15 0.28 -0.01 1.03 -1.16 0.00 0.00 179.01 179.00 1x40 h SER 37 N 0.43 0.58 0.00 1.42 0.87 0.74 -3.46 113.55 114.12 1x40 h SER 37 Ca 0.68 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 1x40 h SER 37 Cb 1.51 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1x40 h SER 37 CO -0.48 0.65 0.00 0.61 -0.53 0.00 0.00 176.83 177.09 1x40 n GLY 38 N -0.78 2.00 3.05 5.77 0.00 0.22 -5.08 105.19 110.36 1x40 n GLY 38 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 3.19 -0.22 1.61 0.08 -0.63 -4.96 117.98 115.05 1x40 s PHE 39 Ca 0.00 -2.30 0.05 0.00 0.12 0.00 0.00 56.93 54.80 1x40 s PHE 39 Cb 0.00 -1.95 -0.20 0.00 -0.57 0.00 0.00 43.02 40.30 1x40 s PHE 39 CO 0.00 -0.87 -0.05 0.25 -0.10 0.00 0.00 175.22 174.45 1x40 n THR 40 N 4.45 1.50 -4.43 0.64 -2.24 -1.26 -3.45 114.28 109.49 1x40 n THR 40 Ca -0.13 -0.66 -0.21 0.00 -2.27 0.00 0.00 64.05 60.79 1x40 n THR 40 Cb 0.42 -1.21 -0.10 0.00 -2.10 0.00 0.00 70.33 67.34 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 -2.52 1.36 0.31 4.28 -4.23 -1.26 -0.18 115.64 113.40 1x40 s THR 41 Ca -0.26 -2.05 0.03 0.00 -1.18 0.00 0.00 61.69 58.23 1x40 s THR 41 Cb 0.08 -2.60 0.29 0.00 1.34 0.00 0.00 72.50 71.61 1x40 s THR 41 CO 0.68 -0.16 1.88 0.58 -0.54 0.00 0.00 174.62 177.06 1x40 h VAL 42 N 2.22 0.95 -0.41 2.29 2.07 -1.49 -1.95 116.25 119.92 1x40 h VAL 42 Ca -0.40 -0.31 0.07 0.00 0.82 0.00 0.00 66.70 66.87 1x40 h VAL 42 Cb 1.24 -0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1x40 h VAL 42 CO 0.68 0.17 0.06 0.50 0.02 0.00 0.00 177.57 179.00 1x40 h LYS 43 N 0.91 0.17 0.00 1.57 1.63 -1.96 0.22 116.57 119.11 1x40 h LYS 43 Ca 0.44 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.23 1x40 h LYS 43 Cb 0.44 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1x40 h LYS 43 CO -0.20 0.11 0.10 -3.47 -3.45 0.00 0.00 179.45 172.55 1x40 n ASP 44 N -5.13 0.28 -1.14 4.20 -0.08 -0.74 -0.29 116.55 113.66 1x40 n ASP 44 Ca 0.03 0.57 0.04 0.00 -1.51 0.00 0.00 54.79 53.93 1x40 n ASP 44 Cb 0.20 -0.59 0.21 0.00 2.34 0.00 0.00 41.12 43.28 1x40 n ASP 44 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x40 h ALA 46 N 3.23 1.22 -0.59 0.00 0.00 -0.76 -2.74 119.26 119.63 1x40 h ALA 46 Ca 0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 1x40 h ALA 46 Cb 1.13 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 1x40 h ALA 46 CO 0.21 0.49 0.18 0.00 0.00 0.00 0.00 179.25 180.13 1x40 n ALA 47 N -2.41 4.27 -2.77 0.00 0.00 -1.26 -4.96 120.51 113.39 1x40 n ALA 47 Ca -0.01 -2.53 -0.35 0.00 0.00 0.00 0.00 53.44 50.55 1x40 n ALA 47 Cb 0.45 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 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 -3.03 4.35 0.25 0.00 1.01 -1.04 -4.97 121.20 117.77 1x40 s ILE 48 Ca 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.93 1x40 s ILE 48 Cb 0.42 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 1x40 s ILE 48 CO 0.10 0.56 0.24 0.54 0.00 0.00 0.00 174.94 176.37 1x40 s ASN 49 N -0.39 0.55 0.28 3.58 2.20 -1.26 -4.97 114.94 114.93 1x40 s ASN 49 Ca 0.08 -1.43 0.00 0.00 -0.94 0.00 0.00 52.86 50.57 1x40 s ASN 49 Cb -0.12 0.47 0.66 0.00 -2.00 0.00 0.00 41.25 40.26 1x40 s ASN 49 CO 0.02 -0.97 1.43 -0.90 -2.94 0.00 0.00 177.10 173.74 1x40 n ASP 50 N -0.69 -0.14 -0.21 3.54 5.68 -1.26 0.15 116.55 123.62 1x40 n ASP 50 Ca 0.03 1.56 -0.07 0.00 -0.50 0.00 0.00 54.79 55.80 1x40 n ASP 50 Cb 0.64 -0.55 0.03 0.00 -1.14 0.00 0.00 41.12 40.10 1x40 n ASP 50 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 1x40 h SER 51 N 0.00 0.80 -0.18 -1.12 0.87 -1.98 -2.23 113.55 109.71 1x40 h SER 51 Ca 0.54 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1x40 h SER 51 Cb 1.07 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 1x40 h SER 51 CO -0.87 0.72 0.11 0.25 -0.53 0.00 0.00 176.83 176.51 1x40 h LEU 52 N 0.82 0.19 0.58 2.23 7.12 1.00 -1.20 115.31 126.04 1x40 h LEU 52 Ca 0.20 -0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.19 1x40 h LEU 52 Cb 0.15 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.22 1x40 h LEU 52 CO -0.02 0.14 -0.47 -0.07 -0.13 0.00 0.00 178.44 177.88 1x40 h LEU 53 N 0.23 -1.25 -0.11 2.25 -0.00 -0.91 0.46 115.31 115.97 1x40 h LEU 53 Ca 0.07 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1x40 h LEU 53 Cb -0.02 0.40 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1x40 h LEU 53 CO -0.02 -0.66 0.00 0.00 -0.00 0.00 0.00 178.44 177.75 1x40 n GLN 54 N -5.57 0.01 -0.07 1.13 10.64 -0.85 -2.51 117.38 120.16 1x40 n GLN 54 Ca -0.13 0.49 -0.07 0.00 -1.83 0.00 0.00 57.00 55.47 1x40 n GLN 54 Cb 0.46 -1.54 -0.03 0.00 -0.86 0.00 0.00 30.24 28.27 1x40 n GLN 54 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1x40 h LYS 55 N 0.00 0.00 -1.29 2.61 3.11 0.19 -3.37 116.57 117.82 1x40 h LYS 55 Ca 0.00 0.00 0.42 0.00 -2.81 0.00 0.00 60.65 58.26 1x40 h LYS 55 Cb 0.02 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 31.12 1x40 h LYS 55 CO 0.00 0.19 0.83 -0.84 -2.81 0.00 0.00 179.45 176.82 1x40 h ILE 56 N -1.00 0.16 0.00 2.00 3.07 -0.68 -3.43 117.51 117.63 1x40 h ILE 56 Ca -0.05 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 66.32 1x40 h ILE 56 Cb 0.54 0.04 0.00 0.00 -0.27 0.00 0.00 36.82 37.12 1x40 h ILE 56 CO -0.03 0.02 0.00 0.61 -1.05 0.00 0.00 178.15 177.70 1x40 n GLY 57 N -1.51 1.63 2.33 0.16 0.00 -1.19 -4.92 105.19 101.68 1x40 n GLY 57 Ca 0.36 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 0.14 -0.61 5.41 -1.17 -4.81 119.36 118.32 1x40 n ILE 58 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.68 1x40 n ILE 58 Cb 0.00 -0.34 -0.04 0.00 -0.71 0.00 0.00 39.64 38.55 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 7.30 -0.37 -3.99 4.38 0.02 -1.89 -3.38 113.55 115.61 1x40 h SER 59 Ca -0.05 -0.01 -0.51 0.00 -0.84 0.00 0.00 61.79 60.39 1x40 h SER 59 Cb 0.93 0.10 0.06 0.00 0.14 0.00 0.00 62.40 63.63 1x40 h SER 59 CO 0.86 0.08 0.49 -2.16 -1.14 0.00 0.00 176.83 174.96 1x40 s PRO 60 N -3.04 3.82 -0.14 3.45 0.04 -1.26 -4.98 135.00 132.89 1x40 s PRO 60 Ca -0.07 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 62.63 1x40 s PRO 60 Cb 0.01 -2.47 -0.25 0.00 0.04 0.00 0.00 34.50 31.83 1x40 s PRO 60 CO 0.21 -0.51 0.40 1.15 0.04 0.00 0.00 177.00 178.29 1x40 h THR 61 N 1.97 0.85 -1.44 1.26 2.02 -2.01 -3.35 112.91 112.21 1x40 h THR 61 Ca -0.49 -2.32 0.46 0.00 0.77 0.00 0.00 66.41 64.83 1x40 h THR 61 Cb 1.24 2.51 -0.10 0.00 -1.74 0.00 0.00 68.15 70.06 1x40 h THR 61 CO 0.61 0.67 0.98 0.61 0.37 0.00 0.00 175.52 178.76 1x40 n GLY 62 N 1.75 -0.80 0.13 2.16 0.00 -1.26 0.23 105.19 107.40 1x40 n GLY 62 Ca -0.29 0.65 -0.21 0.00 0.00 0.00 0.00 46.02 46.17 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 0.75 0.26 1.61 -0.00 -1.99 -3.29 115.15 112.49 1x40 h HIS 63 Ca 0.81 -0.55 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 1x40 h HIS 63 Cb 2.87 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 30.21 1x40 h HIS 63 CO -0.00 1.46 -0.49 0.00 -0.00 0.00 0.00 177.93 178.90 1x40 h ARG 64 N 0.11 -0.79 -0.77 2.45 3.08 0.28 -0.32 114.38 118.42 1x40 h ARG 64 Ca -0.22 0.05 0.17 0.00 0.07 0.00 0.00 59.98 60.05 1x40 h ARG 64 Cb 2.08 0.18 -0.11 0.00 0.08 0.00 0.00 29.97 32.20 1x40 h ARG 64 CO 0.23 -0.53 0.24 0.00 -1.07 0.00 0.00 179.97 178.85 1x40 h ARG 65 N -0.82 0.31 -0.88 0.04 3.08 -1.61 0.13 114.38 114.63 1x40 h ARG 65 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1x40 h ARG 65 Cb 0.78 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.72 1x40 h ARG 65 CO -0.19 0.21 0.56 -0.09 -1.07 0.00 0.00 179.97 179.39 1x40 h ARG 66 N 0.32 1.16 0.71 0.04 2.43 -1.46 0.16 114.38 117.76 1x40 h ARG 66 Ca 0.45 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.50 1x40 h ARG 66 Cb 0.77 -0.26 0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1x40 h ARG 66 CO -0.50 0.79 -0.34 0.82 -1.51 0.00 0.00 179.97 179.22 1x40 h ILE 67 N 1.19 0.17 -0.64 1.20 2.04 0.93 -3.18 117.51 119.22 1x40 h ILE 67 Ca 0.32 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 66.01 1x40 h ILE 67 Cb -0.11 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.13 1x40 h ILE 67 CO -0.07 0.02 0.36 -0.07 0.00 0.00 0.00 178.15 178.39 1x40 h LEU 68 N -1.14 0.55 -0.61 1.44 3.38 -1.10 -2.56 115.31 115.27 1x40 h LEU 68 Ca -0.10 0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1x40 h LEU 68 Cb 0.76 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1x40 h LEU 68 CO 0.16 0.36 -0.36 1.17 0.09 0.00 0.00 178.44 179.87 1x40 n LYS 69 N -4.78 -0.27 0.07 1.13 3.00 0.57 -0.87 118.16 117.00 1x40 n LYS 69 Ca 0.07 1.17 -0.13 0.00 -0.00 0.00 0.00 58.31 59.42 1x40 n LYS 69 Cb 0.14 -1.73 -0.08 0.00 0.00 0.00 0.00 35.03 33.37 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 -0.10 -0.86 1.64 1.08 -1.53 -2.89 115.11 112.45 1x40 h GLN 70 Ca 0.10 0.01 0.28 0.00 -1.45 0.00 0.00 58.65 57.58 1x40 h GLN 70 Cb 0.25 0.02 -0.16 0.00 -0.05 0.00 0.00 27.48 27.54 1x40 h GLN 70 CO -0.57 0.03 0.17 1.28 -0.95 0.00 0.00 178.83 178.80 1x40 n LEU 71 N -5.08 0.04 0.29 1.46 4.77 -0.05 -0.00 117.00 118.42 1x40 n LEU 71 Ca -0.08 1.45 -0.15 0.00 -0.03 0.00 0.00 56.01 57.21 1x40 n LEU 71 Cb 0.11 -0.59 -0.08 0.00 -2.33 0.00 0.00 43.42 40.54 1x40 n LEU 71 CO 0.33 -1.52 0.48 1.56 -1.33 0.00 0.00 177.39 176.91 1x40 h GLN 72 N 0.00 -0.72 -0.95 3.23 1.08 -0.98 0.12 115.11 116.89 1x40 h GLN 72 Ca 0.60 0.05 0.19 0.00 -1.45 0.00 0.00 58.65 58.03 1x40 h GLN 72 Cb 1.38 0.16 -0.08 0.00 -0.05 0.00 0.00 27.48 28.89 1x40 h GLN 72 CO -0.76 -0.42 0.61 0.82 -0.95 0.00 0.00 178.83 178.13 1x40 h ILE 73 N -1.02 0.73 0.09 2.54 2.04 -0.34 0.33 117.51 121.87 1x40 h ILE 73 Ca -0.08 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1x40 h ILE 73 Cb 0.64 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1x40 h ILE 73 CO 0.13 0.11 -0.04 0.40 0.00 0.00 0.00 178.15 178.75 1x40 h ILE 74 N 0.63 0.00 -1.13 -0.67 2.04 -0.47 -2.75 117.51 115.15 1x40 h ILE 74 Ca 0.51 -0.18 0.32 0.00 1.00 0.00 0.00 64.86 66.51 1x40 h ILE 74 Cb 0.97 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 1x40 h ILE 74 CO -0.27 0.00 0.78 -0.07 0.00 0.00 0.00 178.15 178.59 1x40 h LEU 75 N -0.30 0.20 -0.71 1.44 3.38 -0.62 0.58 115.31 119.29 1x40 h LEU 75 Ca -0.01 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1x40 h LEU 75 Cb 0.09 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1x40 h LEU 75 CO 0.02 0.02 -0.28 -1.28 0.09 0.00 0.00 178.44 177.01 1x40 h SER 76 N 0.17 0.70 -0.48 -0.43 0.87 -0.42 -2.68 113.55 111.28 1x40 h SER 76 Ca 0.59 -0.27 -0.16 0.00 -1.23 0.00 0.00 61.79 60.72 1x40 h SER 76 Cb 1.97 -0.19 -0.10 0.00 -0.44 0.00 0.00 62.40 63.64 1x40 h SER 76 CO -0.16 0.94 0.21 2.29 -0.53 0.00 0.00 176.83 179.59 1x40 n LYS 77 N -4.09 2.53 -4.23 2.24 2.85 0.20 -4.88 118.16 112.78 1x40 n LYS 77 Ca -0.01 -1.87 -0.14 0.00 -1.05 0.00 0.00 58.31 55.24 1x40 n LYS 77 Cb 0.45 -1.84 -0.10 0.00 -0.65 0.00 0.00 35.03 32.89 1x40 n LYS 77 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1x40 s MET 78 N -2.03 0.99 -1.48 -1.58 -1.94 -0.98 -5.03 119.30 107.25 1x40 s MET 78 Ca 0.34 -1.35 -0.10 0.00 -1.71 0.00 0.00 55.69 52.87 1x40 s MET 78 Cb 0.27 -0.61 -0.07 0.00 2.01 0.00 0.00 34.83 36.43 1x40 s MET 78 CO 0.08 0.08 2.74 0.00 -0.01 0.00 0.00 175.02 177.91 1x40 n GLN 79 N 0.08 3.32 -2.31 2.03 0.00 -1.26 -4.65 117.38 114.58 1x40 n GLN 79 Ca -0.12 -2.12 -0.36 0.00 0.00 0.00 0.00 57.00 54.39 1x40 n GLN 79 Cb 0.59 -2.80 0.02 0.00 0.00 0.00 0.00 30.24 28.05 1x40 n GLN 79 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1x40 n ASP 80 N 4.03 6.64 -4.74 2.61 -0.08 -1.26 -5.00 116.55 118.74 1x40 n ASP 80 Ca 0.70 -3.76 -0.33 0.00 -1.51 0.00 0.00 54.79 49.89 1x40 n ASP 80 Cb 0.24 -0.93 -0.08 0.00 2.34 0.00 0.00 41.12 42.69 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 -4.92 4.53 0.65 5.18 -4.36 -1.26 -5.08 121.20 115.93 1x40 s ILE 81 Ca 0.48 -0.44 -0.15 0.00 -0.26 0.00 0.00 60.65 60.28 1x40 s ILE 81 Cb 0.35 -3.04 -0.01 0.00 1.25 0.00 0.00 42.46 41.02 1x40 s ILE 81 CO -0.28 0.39 1.11 -2.16 0.24 0.00 0.00 174.94 174.25 1x40 s PRO 82 N -1.57 2.86 0.38 0.37 0.04 -1.26 -5.00 135.00 130.82 1x40 s PRO 82 Ca 0.21 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.40 1x40 s PRO 82 Cb -0.12 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1x40 s PRO 82 CO 0.11 -1.20 1.19 0.42 0.04 0.00 0.00 177.00 177.55 1x40 s ILE 83 N -2.27 3.11 -0.21 0.56 -1.09 -1.26 -5.03 121.20 115.00 1x40 s ILE 83 Ca 0.68 0.97 -0.02 0.00 -2.23 0.00 0.00 60.65 60.05 1x40 s ILE 83 Cb -0.21 -3.56 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 1x40 s ILE 83 CO 0.40 0.12 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.82 1x40 s TYR 84 N -1.35 2.93 -0.25 3.97 1.51 -1.26 -5.07 117.35 117.82 1x40 s TYR 84 Ca 0.55 -1.35 -0.08 0.00 -1.01 0.00 0.00 57.07 55.18 1x40 s TYR 84 Cb -0.32 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.47 1x40 s TYR 84 CO 0.41 -0.69 0.09 0.00 -1.11 0.00 0.00 175.55 174.26 1x40 s ALA 85 N 1.37 3.26 0.80 3.71 0.00 -1.26 -4.39 121.76 125.25 1x40 s ALA 85 Ca 0.04 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 50.78 1x40 s ALA 85 Cb -0.14 -2.15 0.07 0.00 0.00 0.00 0.00 23.12 20.90 1x40 s ALA 85 CO -0.07 -0.44 1.18 0.45 0.00 0.00 0.00 175.76 176.88 1x40 n SER 86 N 4.82 0.99 0.00 0.00 2.88 -1.26 -4.94 113.62 116.12 1x40 n SER 86 Ca -0.16 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1x40 n SER 86 Cb 0.52 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1x40 n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x40 n GLY 87 N 0.62 0.91 0.00 0.46 0.00 -1.26 -4.99 105.19 100.93 1x40 n GLY 87 Ca 0.14 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.16 1x40 n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x40 n PRO 88 N 0.00 0.49 -2.16 1.61 -0.04 -1.26 -4.65 135.00 128.98 1x40 n PRO 88 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1x40 n PRO 88 Cb 0.00 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 1x40 n PRO 88 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x40 s SER 89 N -1.87 6.82 -1.82 3.54 0.15 -1.26 -3.05 113.70 116.21 1x40 s SER 89 Ca 0.17 2.37 -0.20 0.00 0.70 0.00 0.00 55.95 58.99 1x40 s SER 89 Cb 0.08 -2.59 0.20 0.00 -1.71 0.00 0.00 66.02 61.99 1x40 s SER 89 CO 0.13 -0.64 0.54 -1.54 1.20 0.00 0.00 173.24 172.93 1x40 n SER 90 N 3.64 -1.60 -0.17 5.45 3.41 -1.26 -5.24 113.62 117.85 1x40 n SER 90 Ca 0.10 -1.23 0.02 0.00 -0.26 0.00 0.00 58.87 57.51 1x40 n SER 90 Cb 0.42 -1.73 0.02 0.00 -0.26 0.00 0.00 64.21 62.65 1x40 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49