#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 4.88 0.40 1.61 0.15 -1.26 -5.15 113.70 114.34 1x40 s SER 2 Ca 0.00 -0.82 0.08 0.00 0.70 0.00 0.00 55.95 55.91 1x40 s SER 2 Cb 0.00 -0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 63.69 1x40 s SER 2 CO 0.00 -0.59 0.22 -0.44 1.20 0.00 0.00 173.24 173.63 1x40 s SER 3 N -4.05 4.63 0.00 5.45 0.01 -1.26 -5.06 113.70 113.42 1x40 s SER 3 Ca 0.45 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1x40 s SER 3 Cb -0.01 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.66 1x40 s SER 3 CO 0.26 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1x40 n GLY 4 N -1.29 0.00 3.76 3.44 0.00 -1.26 -5.15 105.19 104.69 1x40 n GLY 4 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 6.78 0.01 1.61 0.15 -1.26 -5.02 113.70 115.98 1x40 s SER 5 Ca 0.00 2.63 -0.02 0.00 0.70 0.00 0.00 55.95 59.26 1x40 s SER 5 Cb 0.00 -2.64 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 1x40 s SER 5 CO 0.00 -0.55 0.20 -0.55 1.20 0.00 0.00 173.24 173.54 1x40 s SER 6 N -0.24 6.38 -0.77 5.45 0.15 -1.26 -5.00 113.70 118.41 1x40 s SER 6 Ca 0.52 0.35 -0.26 0.00 0.70 0.00 0.00 55.95 57.26 1x40 s SER 6 Cb -0.39 -2.00 -0.10 0.00 -1.71 0.00 0.00 66.02 61.81 1x40 s SER 6 CO 0.49 0.24 2.28 -0.83 1.20 0.00 0.00 173.24 176.61 1x40 s GLY 7 N -2.07 -0.50 0.33 9.45 0.00 -1.26 -4.92 107.32 108.35 1x40 s GLY 7 Ca 0.29 -0.85 0.07 0.00 0.00 0.00 0.00 44.72 44.24 1x40 s GLY 7 CO 0.21 4.02 0.33 -3.16 0.00 0.00 0.00 173.10 174.50 1x40 s MET 8 N 8.30 2.85 -0.14 2.90 0.00 -1.26 -5.09 119.30 126.87 1x40 s MET 8 Ca 0.87 -1.20 -0.06 0.00 0.00 0.00 0.00 55.69 55.30 1x40 s MET 8 Cb -0.12 -2.58 0.06 0.00 0.00 0.00 0.00 34.83 32.19 1x40 s MET 8 CO 0.09 0.11 0.31 0.45 0.00 0.00 0.00 175.02 175.98 1x40 s SER 9 N -4.03 -0.05 0.22 -1.18 0.15 -1.26 -5.16 113.70 102.39 1x40 s SER 9 Ca 0.41 0.70 -0.11 0.00 0.70 0.00 0.00 55.95 57.65 1x40 s SER 9 Cb -0.07 0.76 -0.01 0.00 -1.71 0.00 0.00 66.02 64.99 1x40 s SER 9 CO 0.28 -0.21 0.40 -0.55 1.20 0.00 0.00 173.24 174.35 1x40 s SER 10 N 2.01 -0.05 -0.08 5.45 0.15 -1.26 -5.08 113.70 114.83 1x40 s SER 10 Ca -0.04 -0.92 0.02 0.00 0.70 0.00 0.00 55.95 55.71 1x40 s SER 10 Cb -0.11 0.53 -0.06 0.00 -1.71 0.00 0.00 66.02 64.67 1x40 s SER 10 CO -0.10 -1.04 -0.06 1.33 1.20 0.00 0.00 173.24 174.57 1x40 n VAL 11 N -0.33 0.49 -3.86 4.45 0.24 -1.26 -4.94 118.33 113.12 1x40 n VAL 11 Ca -0.03 -0.21 -0.30 0.00 -2.04 0.00 0.00 64.34 61.75 1x40 n VAL 11 Cb 0.63 -0.81 -0.15 0.00 -1.47 0.00 0.00 33.84 32.03 1x40 n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x40 s SER 12 N -4.66 4.25 0.06 -1.34 0.15 -1.26 -5.11 113.70 105.79 1x40 s SER 12 Ca -0.10 -1.75 0.09 0.00 0.70 0.00 0.00 55.95 54.89 1x40 s SER 12 Cb 0.03 -1.18 -0.03 0.00 -1.71 0.00 0.00 66.02 63.13 1x40 s SER 12 CO 0.21 -0.38 -0.25 -1.61 1.20 0.00 0.00 173.24 172.42 1x40 s GLU 13 N 1.33 1.61 0.59 5.44 0.41 -1.26 -5.01 118.70 121.82 1x40 s GLU 13 Ca 0.08 -1.09 0.29 0.00 -0.41 0.00 0.00 54.97 53.84 1x40 s GLU 13 Cb -0.18 -1.81 1.65 0.00 -1.78 0.00 0.00 34.13 32.01 1x40 s GLU 13 CO -0.16 0.46 2.07 -0.24 -0.49 0.00 0.00 175.26 176.90 1x40 h VAL 14 N 4.22 0.42 -1.71 2.63 3.04 -1.99 -3.43 116.25 119.43 1x40 h VAL 14 Ca -0.46 0.00 -0.64 0.00 -1.01 0.00 0.00 66.70 64.59 1x40 h VAL 14 Cb 1.15 0.80 0.11 0.00 -2.01 0.00 0.00 31.29 31.34 1x40 h VAL 14 CO 0.43 0.00 -0.21 -3.20 -1.01 0.00 0.00 177.57 173.58 1x40 n ASN 15 N -3.72 -0.01 -4.37 3.17 5.15 -1.26 -4.98 115.26 109.23 1x40 n ASN 15 Ca 0.02 1.15 -0.28 0.00 -0.60 0.00 0.00 54.58 54.88 1x40 n ASN 15 Cb 0.38 -1.11 -0.13 0.00 -0.53 0.00 0.00 39.78 38.38 1x40 n ASN 15 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1x40 s VAL 16 N -1.02 2.17 0.20 3.44 0.11 -1.26 -5.03 120.40 119.01 1x40 s VAL 16 Ca 0.62 -1.74 -0.30 0.00 -2.93 0.00 0.00 61.98 57.63 1x40 s VAL 16 Cb -0.82 -1.93 -0.08 0.00 -1.53 0.00 0.00 36.38 32.01 1x40 s VAL 16 CO 0.58 0.05 1.15 -0.62 -3.33 0.00 0.00 175.10 172.93 1x40 s ASP 17 N -2.07 7.17 0.64 3.54 2.15 -1.26 -1.14 116.67 125.69 1x40 s ASP 17 Ca 0.13 2.20 0.21 0.00 0.43 0.00 0.00 52.55 55.52 1x40 s ASP 17 Cb -0.10 -2.61 1.03 0.00 -0.30 0.00 0.00 42.92 40.94 1x40 s ASP 17 CO 0.06 -0.29 1.56 -0.29 -0.17 0.00 0.00 175.17 176.04 1x40 h ILE 18 N 3.63 0.07 -0.11 4.11 6.09 -0.79 0.54 117.51 131.04 1x40 h ILE 18 Ca -0.45 0.00 -0.16 0.00 -1.37 0.00 0.00 64.86 62.88 1x40 h ILE 18 Cb 1.21 0.37 0.01 0.00 0.47 0.00 0.00 36.82 38.88 1x40 h ILE 18 CO 0.72 0.00 -0.57 0.50 -3.07 0.00 0.00 178.15 175.73 1x40 h LYS 19 N 0.00 0.58 0.00 2.19 3.64 -1.90 -2.67 116.57 118.42 1x40 h LYS 19 Ca 0.11 -0.48 -0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1x40 h LYS 19 Cb 1.48 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.39 1x40 h LYS 19 CO -0.00 1.10 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.80 1x40 h ASP 20 N 0.21 0.00 0.85 4.20 5.19 -0.30 0.07 116.42 126.64 1x40 h ASP 20 Ca -0.04 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.14 1x40 h ASP 20 Cb 1.21 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 1x40 h ASP 20 CO 0.12 0.04 -1.08 0.15 -3.12 0.00 0.00 179.24 175.35 1x40 h PHE 21 N 0.00 0.19 0.01 4.55 3.57 -1.36 -3.14 116.94 120.76 1x40 h PHE 21 Ca -0.00 -0.14 -0.21 0.00 3.53 0.00 0.00 57.97 61.16 1x40 h PHE 21 Cb 0.65 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 1x40 h PHE 21 CO 0.00 1.10 -1.12 -0.07 -2.23 0.00 0.00 178.31 175.99 1x40 h LEU 22 N 0.03 0.03 -0.93 0.59 3.38 -1.29 -3.35 115.31 113.78 1x40 h LEU 22 Ca -0.06 -0.61 0.20 0.00 0.09 0.00 0.00 57.88 57.50 1x40 h LEU 22 Cb 1.83 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 42.46 1x40 h LEU 22 CO 0.16 1.44 0.49 0.24 0.09 0.00 0.00 178.44 180.86 1x40 h MET 23 N -0.93 0.56 -0.52 1.13 2.86 -1.14 0.66 114.93 117.56 1x40 h MET 23 Ca -0.30 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.36 1x40 h MET 23 Cb 1.31 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 32.79 1x40 h MET 23 CO -0.16 0.37 0.25 1.03 1.06 0.00 0.00 176.91 179.46 1x40 h SER 24 N 0.58 0.34 -0.07 1.22 0.87 -1.71 -0.91 113.55 113.87 1x40 h SER 24 Ca 0.55 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.15 1x40 h SER 24 Cb 0.93 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1x40 h SER 24 CO -0.44 0.24 0.00 2.30 -0.53 0.00 0.00 176.83 178.40 1x40 n ILE 25 N -4.90 0.08 -3.10 2.23 -5.35 -0.04 -4.93 119.36 103.34 1x40 n ILE 25 Ca 0.05 -0.30 -0.14 0.00 -0.27 0.00 0.00 62.75 62.09 1x40 n ILE 25 Cb 0.15 0.50 0.06 0.00 -1.74 0.00 0.00 39.64 38.61 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 0.28 -3.32 -0.13 7.28 4.13 0.20 -4.94 115.26 118.77 1x40 n ASN 26 Ca 0.18 -0.40 0.07 0.00 1.68 0.00 0.00 54.58 56.10 1x40 n ASN 26 Cb 0.36 -3.67 0.10 0.00 -1.54 0.00 0.00 39.78 35.02 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 -3.36 1.85 0.31 3.41 7.99 0.55 -4.75 117.00 122.99 1x40 n LEU 27 Ca -0.11 -2.53 0.12 0.00 -0.01 0.00 0.00 56.01 53.49 1x40 n LEU 27 Cb 0.59 -0.30 0.67 0.00 -0.11 0.00 0.00 43.42 44.26 1x40 n LEU 27 CO 0.43 0.59 1.07 1.05 -1.51 0.00 0.00 177.39 179.02 1x40 h GLU 28 N 0.00 0.00 -0.03 3.23 -0.00 -1.90 0.13 114.58 116.02 1x40 h GLU 28 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.37 1x40 h GLU 28 Cb 1.01 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.76 1x40 h GLU 28 CO 0.00 0.00 0.10 -0.56 -0.00 0.00 0.00 179.01 178.55 1x40 h GLN 29 N 0.00 0.00 0.00 1.06 3.07 -1.94 0.19 115.11 117.49 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 0.80 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.36 1x40 h GLN 29 CO 0.00 0.00 -1.21 0.66 0.09 0.00 0.00 178.83 178.37 1x40 n TYR 30 N -3.24 0.14 -0.29 0.06 4.01 0.46 -4.53 117.16 113.78 1x40 n TYR 30 Ca -0.02 0.04 -0.07 0.00 -0.16 0.00 0.00 57.90 57.69 1x40 n TYR 30 Cb 0.17 -0.34 -0.07 0.00 -0.31 0.00 0.00 39.34 38.80 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 -1.90 -0.72 -0.32 7.72 7.94 0.66 0.13 117.00 130.51 1x40 n LEU 31 Ca 0.01 1.37 0.14 0.00 -1.11 0.00 0.00 56.01 56.42 1x40 n LEU 31 Cb 0.43 -0.24 0.33 0.00 0.53 0.00 0.00 43.42 44.48 1x40 n LEU 31 CO 0.42 -1.06 1.08 0.25 -1.11 0.00 0.00 177.39 176.97 1x40 h LEU 32 N 0.00 0.45 -0.82 -1.96 7.12 -1.80 0.31 115.31 118.61 1x40 h LEU 32 Ca 0.11 0.15 -0.03 0.00 0.13 0.00 0.00 57.88 58.23 1x40 h LEU 32 Cb 0.28 0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 40.47 1x40 h LEU 32 CO -0.64 0.04 0.38 0.45 -0.13 0.00 0.00 178.44 178.54 1x40 h HIS 33 N 0.47 1.20 -0.38 1.25 3.86 0.86 -0.98 115.15 121.42 1x40 h HIS 33 Ca 0.58 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 59.58 1x40 h HIS 33 Cb 1.10 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 1x40 h HIS 33 CO -0.09 0.88 -0.33 0.74 0.86 0.00 0.00 177.93 179.98 1x40 h PHE 34 N 1.17 1.02 0.37 2.45 -1.00 0.14 -2.49 116.94 118.60 1x40 h PHE 34 Ca 0.28 -0.28 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1x40 h PHE 34 Cb 0.15 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.48 1x40 h PHE 34 CO 0.02 1.08 -0.18 0.45 -1.61 0.00 0.00 178.31 178.07 1x40 h HIS 35 N 0.72 -0.46 -0.93 -0.55 3.86 -0.60 0.25 115.15 117.45 1x40 h HIS 35 Ca 0.07 -0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.41 1x40 h HIS 35 Cb 0.90 0.15 -0.08 0.00 1.06 0.00 0.00 27.41 29.45 1x40 h HIS 35 CO 0.05 -0.16 0.59 0.93 0.86 0.00 0.00 177.93 180.20 1x40 h GLU 36 N -0.73 0.77 -0.35 2.45 5.08 -1.23 0.08 114.58 120.64 1x40 h GLU 36 Ca -0.05 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1x40 h GLU 36 Cb 0.50 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1x40 h GLU 36 CO 0.08 0.51 -0.11 1.03 -1.00 0.00 0.00 179.01 179.52 1x40 h SER 37 N 0.79 0.59 0.00 1.42 0.87 -1.31 -3.46 113.55 112.44 1x40 h SER 37 Ca 0.47 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1x40 h SER 37 Cb 0.65 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1x40 h SER 37 CO -0.23 0.73 0.00 0.61 -0.53 0.00 0.00 176.83 177.41 1x40 n GLY 38 N -0.58 1.92 3.21 5.77 0.00 0.01 -5.11 105.19 110.42 1x40 n GLY 38 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.92 3.27 -0.19 1.61 0.08 0.81 -4.94 117.98 116.70 1x40 s PHE 39 Ca 0.00 -1.72 0.04 0.00 0.12 0.00 0.00 56.93 55.37 1x40 s PHE 39 Cb 0.00 -2.23 -0.21 0.00 -0.57 0.00 0.00 43.02 40.01 1x40 s PHE 39 CO 0.00 -0.78 0.07 0.25 -0.10 0.00 0.00 175.22 174.66 1x40 n THR 40 N 4.70 1.56 -4.54 0.64 -2.24 -1.26 -3.77 114.28 109.36 1x40 n THR 40 Ca -0.12 -0.67 -0.26 0.00 -2.27 0.00 0.00 64.05 60.73 1x40 n THR 40 Cb 0.44 -1.28 -0.09 0.00 -2.10 0.00 0.00 70.33 67.29 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 -2.53 0.95 0.23 4.28 -4.23 -1.26 -0.17 115.64 112.91 1x40 s THR 41 Ca -0.24 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.22 1x40 s THR 41 Cb 0.08 -2.49 0.12 0.00 1.34 0.00 0.00 72.50 71.55 1x40 s THR 41 CO 0.71 0.00 1.75 0.58 -0.54 0.00 0.00 174.62 177.12 1x40 h VAL 42 N 1.81 1.25 -0.54 2.29 2.07 -1.41 -2.52 116.25 119.19 1x40 h VAL 42 Ca -0.39 -0.96 0.10 0.00 0.82 0.00 0.00 66.70 66.27 1x40 h VAL 42 Cb 1.27 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1x40 h VAL 42 CO 0.65 0.36 0.37 0.50 0.02 0.00 0.00 177.57 179.47 1x40 h LYS 43 N 0.92 0.28 0.00 1.57 3.64 -1.97 0.31 116.57 121.31 1x40 h LYS 43 Ca 0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1x40 h LYS 43 Cb 0.39 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1x40 h LYS 43 CO 0.01 0.18 0.00 -0.25 -2.27 0.00 0.00 179.45 177.12 1x40 n ASP 44 N -4.46 0.48 -0.89 4.20 8.00 -0.95 -1.67 116.55 121.26 1x40 n ASP 44 Ca 0.09 0.63 0.08 0.00 0.71 0.00 0.00 54.79 56.30 1x40 n ASP 44 Cb 0.41 -0.73 0.21 0.00 -0.02 0.00 0.00 41.12 40.99 1x40 n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x40 n ALA 46 N 0.89 1.43 0.05 0.00 0.00 -0.67 -1.60 120.51 120.61 1x40 n ALA 46 Ca 0.16 0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.76 1x40 n ALA 46 Cb 0.41 -1.35 0.06 0.00 0.00 0.00 0.00 19.45 18.57 1x40 n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x40 n ALA 47 N -1.77 2.26 -2.58 0.00 0.00 -1.26 -5.00 120.51 112.16 1x40 n ALA 47 Ca 0.01 -0.86 -0.38 0.00 0.00 0.00 0.00 53.44 52.21 1x40 n ALA 47 Cb 0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.81 5.12 0.25 0.00 1.01 -0.63 -5.00 121.20 121.14 1x40 s ILE 48 Ca 0.11 0.76 0.01 0.00 0.00 0.00 0.00 60.65 61.53 1x40 s ILE 48 Cb 0.06 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1x40 s ILE 48 CO 0.09 0.54 0.14 0.54 0.00 0.00 0.00 174.94 176.25 1x40 s ASN 49 N -0.76 0.80 0.30 3.58 4.22 -1.26 -4.97 114.94 116.85 1x40 s ASN 49 Ca 0.22 -1.46 0.02 0.00 -2.14 0.00 0.00 52.86 49.50 1x40 s ASN 49 Cb -0.16 0.35 0.74 0.00 1.28 0.00 0.00 41.25 43.46 1x40 s ASN 49 CO 0.11 -0.85 1.51 0.47 -2.04 0.00 0.00 177.10 176.30 1x40 n ASP 50 N -0.57 -0.11 -0.34 3.54 9.92 -1.26 0.17 116.55 127.89 1x40 n ASP 50 Ca 0.02 1.63 -0.03 0.00 -0.53 0.00 0.00 54.79 55.88 1x40 n ASP 50 Cb 0.65 -0.60 0.09 0.00 -0.64 0.00 0.00 41.12 40.63 1x40 n ASP 50 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1x40 h SER 51 N 0.00 1.08 0.14 -2.24 0.02 -1.99 -2.48 113.55 108.09 1x40 h SER 51 Ca 0.58 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.48 1x40 h SER 51 Cb 1.20 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1x40 h SER 51 CO -0.90 0.81 -0.07 0.25 -1.14 0.00 0.00 176.83 175.78 1x40 h LEU 52 N 1.25 -0.16 -0.55 5.07 7.12 0.13 -2.36 115.31 125.81 1x40 h LEU 52 Ca 0.33 -0.15 0.11 0.00 0.13 0.00 0.00 57.88 58.31 1x40 h LEU 52 Cb -0.09 0.04 -0.10 0.00 -0.53 0.00 0.00 40.66 39.98 1x40 h LEU 52 CO -0.07 0.05 -0.09 -0.07 -0.13 0.00 0.00 178.44 178.13 1x40 h LEU 53 N -0.37 -0.43 -0.35 2.25 -0.00 -0.97 0.81 115.31 116.24 1x40 h LEU 53 Ca -0.02 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 1x40 h LEU 53 Cb 0.30 0.31 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 1x40 h LEU 53 CO 0.03 -0.16 0.00 0.00 -0.00 0.00 0.00 178.44 178.31 1x40 n GLN 54 N -5.35 0.07 -0.08 1.13 10.64 -0.95 -2.86 117.38 119.99 1x40 n GLN 54 Ca 0.06 0.37 -0.14 0.00 -1.83 0.00 0.00 57.00 55.46 1x40 n GLN 54 Cb 0.30 -1.66 -0.11 0.00 -0.86 0.00 0.00 30.24 27.91 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 -1.01 2.61 3.64 0.11 -3.35 116.57 118.58 1x40 h LYS 55 Ca 0.00 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.61 1x40 h LYS 55 Cb 0.23 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.95 1x40 h LYS 55 CO 0.00 0.84 0.62 -0.84 -2.27 0.00 0.00 179.45 177.80 1x40 h ILE 56 N -1.00 0.61 0.00 2.00 3.07 -1.12 -3.44 117.51 117.62 1x40 h ILE 56 Ca -0.10 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.10 1x40 h ILE 56 Cb 0.96 -0.04 0.00 0.00 -0.27 0.00 0.00 36.82 37.47 1x40 h ILE 56 CO -0.06 0.11 0.00 0.61 -1.05 0.00 0.00 178.15 177.76 1x40 n GLY 57 N -1.37 0.58 2.39 0.16 0.00 -1.21 -4.99 105.19 100.74 1x40 n GLY 57 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.14 -4.78 119.36 118.39 1x40 n ILE 58 Ca 0.00 -0.02 -0.08 0.00 1.00 0.00 0.00 62.75 63.65 1x40 n ILE 58 Cb 0.00 -0.32 -0.04 0.00 -0.71 0.00 0.00 39.64 38.57 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 8.13 -0.38 -3.89 4.38 0.02 -1.90 -3.40 113.55 116.52 1x40 h SER 59 Ca -0.03 -0.05 -0.51 0.00 -0.84 0.00 0.00 61.79 60.36 1x40 h SER 59 Cb 0.88 0.10 0.05 0.00 0.14 0.00 0.00 62.40 63.57 1x40 h SER 59 CO 0.96 0.08 0.55 -2.16 -1.14 0.00 0.00 176.83 175.13 1x40 s PRO 60 N -3.19 4.30 -0.15 3.45 0.04 -1.26 -4.98 135.00 133.21 1x40 s PRO 60 Ca -0.08 1.99 -0.26 0.00 0.04 0.00 0.00 61.00 62.69 1x40 s PRO 60 Cb 0.01 -2.95 -0.24 0.00 0.04 0.00 0.00 34.50 31.35 1x40 s PRO 60 CO 0.26 -0.15 0.62 1.15 0.04 0.00 0.00 177.00 178.92 1x40 h THR 61 N 2.79 1.52 -0.73 1.26 2.02 -1.99 -3.21 112.91 114.57 1x40 h THR 61 Ca -0.48 -2.32 0.22 0.00 0.77 0.00 0.00 66.41 64.60 1x40 h THR 61 Cb 1.23 3.05 -0.14 0.00 -1.74 0.00 0.00 68.15 70.55 1x40 h THR 61 CO 0.65 0.54 0.07 0.61 0.37 0.00 0.00 175.52 177.76 1x40 n GLY 62 N 1.57 -0.92 0.13 2.16 0.00 -1.26 0.23 105.19 107.10 1x40 n GLY 62 Ca -0.17 0.70 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 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 0.53 -0.67 1.61 -0.00 -2.00 -3.01 115.15 111.62 1x40 h HIS 63 Ca 0.47 -0.33 0.05 0.00 -0.00 0.00 0.00 60.37 60.56 1x40 h HIS 63 Cb 1.02 -0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 28.34 1x40 h HIS 63 CO -0.32 1.20 0.39 -0.09 -0.00 0.00 0.00 177.93 179.11 1x40 h ARG 64 N 0.15 0.70 -0.02 2.45 2.43 0.30 -0.94 114.38 119.45 1x40 h ARG 64 Ca -0.10 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1x40 h ARG 64 Cb 1.75 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1x40 h ARG 64 CO 0.18 0.46 -0.01 0.00 -1.51 0.00 0.00 179.97 179.09 1x40 h ARG 65 N 0.72 0.04 -0.93 0.20 3.08 -1.13 -3.02 114.38 113.34 1x40 h ARG 65 Ca 0.29 -0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.48 1x40 h ARG 65 Cb 0.15 -0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.10 1x40 h ARG 65 CO -0.16 0.46 0.54 -0.09 -1.07 0.00 0.00 179.97 179.65 1x40 h ARG 66 N -0.39 0.72 0.44 0.04 2.43 -1.35 -0.66 114.38 115.61 1x40 h ARG 66 Ca 0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1x40 h ARG 66 Cb 0.45 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1x40 h ARG 66 CO 0.00 0.48 -0.31 0.82 -1.51 0.00 0.00 179.97 179.45 1x40 h ILE 67 N 0.74 0.36 -0.22 1.20 2.04 -1.13 -2.98 117.51 117.52 1x40 h ILE 67 Ca 0.51 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.41 1x40 h ILE 67 Cb 0.71 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1x40 h ILE 67 CO -0.35 0.00 -0.01 -0.07 0.00 0.00 0.00 178.15 177.72 1x40 h LEU 68 N -0.73 -0.10 -0.86 1.44 3.38 -1.26 -2.36 115.31 114.82 1x40 h LEU 68 Ca -0.04 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.13 1x40 h LEU 68 Cb 0.62 0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.31 1x40 h LEU 68 CO 0.02 -0.02 -0.26 1.17 0.09 0.00 0.00 178.44 179.44 1x40 n LYS 69 N -5.15 -0.12 0.04 1.13 3.00 -0.32 -0.15 118.16 116.59 1x40 n LYS 69 Ca -0.02 1.33 -0.13 0.00 -0.00 0.00 0.00 58.31 59.49 1x40 n LYS 69 Cb 0.12 -1.98 -0.09 0.00 0.00 0.00 0.00 35.03 33.08 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 -0.12 -1.07 1.64 1.08 -1.38 -3.09 115.11 112.17 1x40 h GLN 70 Ca 0.37 0.01 0.43 0.00 -1.45 0.00 0.00 58.65 58.01 1x40 h GLN 70 Cb 0.58 0.03 -0.17 0.00 -0.05 0.00 0.00 27.48 27.87 1x40 h GLN 70 CO -0.87 0.26 0.61 -0.07 -0.95 0.00 0.00 178.83 177.81 1x40 h LEU 71 N -0.53 0.30 0.27 1.46 3.38 -0.04 0.99 115.31 121.14 1x40 h LEU 71 Ca -0.01 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1x40 h LEU 71 Cb 0.44 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1x40 h LEU 71 CO 0.02 -0.40 -0.13 1.56 0.09 0.00 0.00 178.44 179.58 1x40 h GLN 72 N 0.01 -0.35 -1.14 1.13 4.20 -1.17 -0.43 115.11 117.36 1x40 h GLN 72 Ca 0.85 0.02 0.34 0.00 0.06 0.00 0.00 58.65 59.93 1x40 h GLN 72 Cb 2.35 0.08 -0.12 0.00 0.30 0.00 0.00 27.48 30.09 1x40 h GLN 72 CO -0.71 -0.24 0.72 0.82 -0.67 0.00 0.00 178.83 178.76 1x40 h ILE 73 N -0.53 0.33 0.01 2.54 2.04 -1.07 -0.68 117.51 120.15 1x40 h ILE 73 Ca -0.04 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1x40 h ILE 73 Cb 0.28 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1x40 h ILE 73 CO 0.06 0.05 -0.00 0.40 0.00 0.00 0.00 178.15 178.66 1x40 h ILE 74 N 0.27 0.00 -1.35 -0.67 2.04 -0.87 -2.26 117.51 114.66 1x40 h ILE 74 Ca 0.70 -0.01 0.39 0.00 1.00 0.00 0.00 64.86 66.94 1x40 h ILE 74 Cb 1.94 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 1x40 h ILE 74 CO -0.39 0.00 1.24 -0.07 0.00 0.00 0.00 178.15 178.93 1x40 h LEU 75 N -0.02 0.00 0.03 1.44 3.38 -0.63 0.58 115.31 120.10 1x40 h LEU 75 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x40 h LEU 75 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1x40 h LEU 75 CO 0.00 0.00 -0.02 -1.28 0.09 0.00 0.00 178.44 177.24 1x40 h SER 76 N 0.00 -0.04 0.00 -0.43 0.87 -1.15 -3.19 113.55 109.61 1x40 h SER 76 Ca 0.64 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1x40 h SER 76 Cb 3.12 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 65.09 1x40 h SER 76 CO -0.01 0.73 0.03 2.29 -0.53 0.00 0.00 176.83 179.34 1x40 n LYS 77 N -4.73 0.02 -3.02 2.24 2.85 0.20 -4.52 118.16 111.19 1x40 n LYS 77 Ca -0.08 0.50 -0.40 0.00 -1.05 0.00 0.00 58.31 57.28 1x40 n LYS 77 Cb 0.34 -1.61 -0.05 0.00 -0.65 0.00 0.00 35.03 33.07 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 -3.05 4.36 -0.37 -1.58 1.00 -0.80 -4.94 119.30 113.92 1x40 s MET 78 Ca -0.00 0.86 -0.33 0.00 0.00 0.00 0.00 55.69 56.21 1x40 s MET 78 Cb 0.01 -3.50 -0.14 0.00 0.00 0.00 0.00 34.83 31.20 1x40 s MET 78 CO 0.03 -0.09 1.34 1.04 0.00 0.00 0.00 175.02 177.35 1x40 n GLN 79 N 4.36 0.00 -1.16 2.03 6.02 -1.26 -4.78 117.38 122.59 1x40 n GLN 79 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 1x40 n GLN 79 Cb 0.50 -1.10 0.17 0.00 1.02 0.00 0.00 30.24 30.83 1x40 n GLN 79 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1x40 n ASP 80 N 4.05 3.86 -4.89 1.08 5.75 -1.26 -4.96 116.55 120.18 1x40 n ASP 80 Ca 0.30 -3.52 -0.31 0.00 -0.01 0.00 0.00 54.79 51.25 1x40 n ASP 80 Cb -0.04 -0.83 -0.05 0.00 -1.03 0.00 0.00 41.12 39.18 1x40 n ASP 80 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1x40 s ILE 81 N -3.16 5.02 0.73 2.12 -4.36 -1.26 -5.08 121.20 115.22 1x40 s ILE 81 Ca 0.54 0.27 -0.12 0.00 -0.26 0.00 0.00 60.65 61.08 1x40 s ILE 81 Cb 0.45 -3.63 0.04 0.00 1.25 0.00 0.00 42.46 40.57 1x40 s ILE 81 CO 0.10 -0.06 1.10 -2.16 0.24 0.00 0.00 174.94 174.16 1x40 s PRO 82 N -2.85 2.44 0.17 0.37 0.04 -1.26 -4.97 135.00 128.95 1x40 s PRO 82 Ca 0.45 1.25 -0.31 0.00 0.04 0.00 0.00 61.00 62.43 1x40 s PRO 82 Cb -0.11 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1x40 s PRO 82 CO 0.23 -1.51 1.42 0.42 0.04 0.00 0.00 177.00 177.61 1x40 s ILE 83 N -2.70 2.99 -0.54 0.56 1.09 -1.26 -4.92 121.20 116.42 1x40 s ILE 83 Ca 0.63 0.75 0.02 0.00 -1.10 0.00 0.00 60.65 60.95 1x40 s ILE 83 Cb -0.18 -3.48 0.57 0.00 -1.06 0.00 0.00 42.46 38.30 1x40 s ILE 83 CO 0.51 0.08 1.95 -1.22 -0.10 0.00 0.00 174.94 176.16 1x40 n TYR 84 N 3.33 3.09 -1.57 3.97 4.02 -1.26 -4.94 117.16 123.80 1x40 n TYR 84 Ca 0.10 -2.37 -0.20 0.00 -0.01 0.00 0.00 57.90 55.42 1x40 n TYR 84 Cb 0.41 -1.15 -0.06 0.00 -0.02 0.00 0.00 39.34 38.52 1x40 n TYR 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1x40 s ALA 85 N -3.54 0.95 -0.49 -0.72 0.00 -1.26 -4.82 121.76 111.89 1x40 s ALA 85 Ca 0.60 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.02 1x40 s ALA 85 Cb 0.49 -4.51 0.17 0.00 0.00 0.00 0.00 23.12 19.26 1x40 s ALA 85 CO 0.05 -5.52 0.37 -1.12 0.00 0.00 0.00 175.76 169.54 1x40 s SER 86 N 11.24 2.56 -0.03 0.00 0.01 -1.26 -5.10 113.70 121.11 1x40 s SER 86 Ca 0.94 -3.20 -0.07 0.00 1.31 0.00 0.00 55.95 54.92 1x40 s SER 86 Cb -0.14 -0.79 0.01 0.00 0.21 0.00 0.00 66.02 65.31 1x40 s SER 86 CO 0.13 -0.16 0.17 -0.83 0.41 0.00 0.00 173.24 172.96 1x40 s GLY 87 N -0.27 -0.05 0.54 3.44 0.00 -1.26 -5.03 107.32 104.69 1x40 s GLY 87 Ca 0.29 0.20 0.33 0.00 0.00 0.00 0.00 44.72 45.54 1x40 s GLY 87 CO -0.16 0.09 1.98 -0.56 0.00 0.00 0.00 173.10 174.45 1x40 h PRO 88 N 4.98 0.00 0.02 2.90 0.13 -2.02 -3.23 132.00 134.78 1x40 h PRO 88 Ca -0.28 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.56 1x40 h PRO 88 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1x40 h PRO 88 CO 0.40 0.04 -1.58 0.43 -0.23 0.00 0.00 178.00 177.05 1x40 n SER 89 N -3.15 1.92 -3.23 1.44 7.64 -1.26 -4.89 113.62 112.09 1x40 n SER 89 Ca 0.00 0.36 -0.33 0.00 1.01 0.00 0.00 58.87 59.91 1x40 n SER 89 Cb 0.31 -0.92 -0.10 0.00 -1.01 0.00 0.00 64.21 62.49 1x40 n SER 89 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x40 n SER 90 N -4.21 0.30 0.00 6.43 2.88 -1.22 -5.24 113.62 112.55 1x40 n SER 90 Ca -0.35 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1x40 n SER 90 Cb 0.78 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1x40 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42