#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 2.90 0.28 1.61 1.04 -1.26 -5.15 113.70 113.13 1x40 s SER 2 Ca 0.00 -0.64 0.07 0.00 0.48 0.00 0.00 55.95 55.86 1x40 s SER 2 Cb 0.00 -0.22 -0.06 0.00 0.10 0.00 0.00 66.02 65.84 1x40 s SER 2 CO 0.00 0.17 -0.06 -0.94 0.98 0.00 0.00 173.24 173.39 1x40 s SER 3 N -1.58 2.85 0.00 7.02 1.04 -1.26 -5.06 113.70 116.71 1x40 s SER 3 Ca 0.10 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1x40 s SER 3 Cb -0.10 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.84 1x40 s SER 3 CO 0.03 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1x40 n GLY 4 N -0.60 -3.26 0.30 7.32 0.00 -1.26 -5.06 105.19 102.63 1x40 n GLY 4 Ca -0.05 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.11 1x40 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x40 n SER 5 N 0.00 1.54 -3.78 1.61 7.64 -1.26 -5.06 113.62 114.31 1x40 n SER 5 Ca 0.00 0.25 -0.13 0.00 1.01 0.00 0.00 58.87 60.00 1x40 n SER 5 Cb 0.00 -0.62 -0.13 0.00 -1.01 0.00 0.00 64.21 62.45 1x40 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x40 s SER 6 N -5.72 -0.17 -0.21 6.43 0.15 -1.26 -5.15 113.70 107.77 1x40 s SER 6 Ca -0.20 0.35 -0.09 0.00 0.70 0.00 0.00 55.95 56.72 1x40 s SER 6 Cb 0.03 0.31 -0.05 0.00 -1.71 0.00 0.00 66.02 64.60 1x40 s SER 6 CO 0.29 -0.10 0.11 -0.83 1.20 0.00 0.00 173.24 173.91 1x40 s GLY 7 N 0.58 1.97 -0.22 9.45 0.00 -1.26 -5.07 107.32 112.76 1x40 s GLY 7 Ca -0.04 -0.78 -0.17 0.00 0.00 0.00 0.00 44.72 43.73 1x40 s GLY 7 CO -0.03 0.20 0.57 -0.29 0.00 0.00 0.00 173.10 173.55 1x40 s MET 8 N 0.61 0.62 -0.25 2.90 -2.45 -1.26 -5.14 119.30 114.33 1x40 s MET 8 Ca 0.06 0.90 -0.01 0.00 -1.25 0.00 0.00 55.69 55.40 1x40 s MET 8 Cb -0.12 0.21 0.07 0.00 1.25 0.00 0.00 34.83 36.24 1x40 s MET 8 CO 0.01 -0.11 0.02 -1.12 1.05 0.00 0.00 175.02 174.86 1x40 s SER 9 N 0.85 3.68 -0.02 1.11 0.01 -1.26 -5.11 113.70 112.95 1x40 s SER 9 Ca -0.04 -1.26 -0.08 0.00 1.31 0.00 0.00 55.95 55.87 1x40 s SER 9 Cb -0.05 -0.95 0.01 0.00 0.21 0.00 0.00 66.02 65.24 1x40 s SER 9 CO -0.07 -0.31 0.19 -0.94 0.41 0.00 0.00 173.24 172.51 1x40 s SER 10 N 1.56 -0.08 -0.25 2.44 1.04 -1.26 -5.12 113.70 112.03 1x40 s SER 10 Ca 0.01 0.03 -0.29 0.00 0.48 0.00 0.00 55.95 56.18 1x40 s SER 10 Cb -0.18 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 1x40 s SER 10 CO -0.12 -0.29 1.40 -0.69 0.98 0.00 0.00 173.24 174.52 1x40 s VAL 11 N -0.93 4.01 0.28 5.02 1.01 -1.26 -5.01 120.40 123.52 1x40 s VAL 11 Ca -0.10 1.15 0.10 0.00 0.00 0.00 0.00 61.98 63.13 1x40 s VAL 11 Cb -0.05 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1x40 s VAL 11 CO 0.02 -0.35 -0.15 -0.44 0.00 0.00 0.00 175.10 174.17 1x40 s SER 12 N 3.12 3.39 0.21 3.32 0.01 -1.26 -4.78 113.70 117.72 1x40 s SER 12 Ca 0.61 -1.08 -0.09 0.00 1.31 0.00 0.00 55.95 56.70 1x40 s SER 12 Cb -0.21 -0.27 0.24 0.00 0.21 0.00 0.00 66.02 65.99 1x40 s SER 12 CO 0.24 -0.09 1.82 -0.33 0.41 0.00 0.00 173.24 175.30 1x40 h GLU 13 N 2.26 0.74 0.00 12.44 5.08 -1.97 -0.69 114.58 132.43 1x40 h GLU 13 Ca -0.40 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1x40 h GLU 13 Cb 1.25 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1x40 h GLU 13 CO 0.63 0.49 -0.02 0.28 -1.00 0.00 0.00 179.01 179.40 1x40 h VAL 14 N 0.77 0.80 -3.76 3.13 2.07 -2.00 -3.42 116.25 113.84 1x40 h VAL 14 Ca 0.31 -0.07 -0.50 0.00 0.82 0.00 0.00 66.70 67.26 1x40 h VAL 14 Cb 0.15 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1x40 h VAL 14 CO -0.16 0.02 0.40 0.21 0.02 0.00 0.00 177.57 178.06 1x40 s ASN 15 N -6.67 7.49 -0.04 0.57 2.47 -0.27 -4.97 114.94 113.53 1x40 s ASN 15 Ca -0.05 2.07 0.01 0.00 0.42 0.00 0.00 52.86 55.31 1x40 s ASN 15 Cb 0.16 -2.62 -0.03 0.00 -1.45 0.00 0.00 41.25 37.31 1x40 s ASN 15 CO 0.62 0.03 -0.04 -0.69 -3.72 0.00 0.00 177.10 173.30 1x40 s VAL 16 N -1.13 3.90 0.47 -5.21 1.01 -1.26 -4.77 120.40 113.41 1x40 s VAL 16 Ca 0.43 -0.53 -0.24 0.00 0.00 0.00 0.00 61.98 61.64 1x40 s VAL 16 Cb -0.28 -2.66 -0.07 0.00 0.00 0.00 0.00 36.38 33.37 1x40 s VAL 16 CO 0.35 0.51 1.29 -0.62 0.00 0.00 0.00 175.10 176.63 1x40 s ASP 17 N -1.12 5.88 0.48 3.32 -1.08 -1.26 -1.07 116.67 121.82 1x40 s ASP 17 Ca 0.15 2.61 0.26 0.00 -0.52 0.00 0.00 52.55 55.04 1x40 s ASP 17 Cb -0.11 -2.63 1.31 0.00 -1.46 0.00 0.00 42.92 40.03 1x40 s ASP 17 CO 0.05 -1.14 1.86 -0.29 0.52 0.00 0.00 175.17 176.17 1x40 h ILE 18 N 1.93 0.58 0.83 4.11 6.09 -0.85 -1.80 117.51 128.40 1x40 h ILE 18 Ca -0.50 -0.06 -0.04 0.00 -1.37 0.00 0.00 64.86 62.89 1x40 h ILE 18 Cb 1.27 0.38 0.00 0.00 0.47 0.00 0.00 36.82 38.94 1x40 h ILE 18 CO 0.60 0.03 -0.44 0.50 -3.07 0.00 0.00 178.15 175.78 1x40 h LYS 19 N 0.19 -1.12 -0.58 2.19 3.64 -1.90 -2.14 116.57 116.85 1x40 h LYS 19 Ca 0.47 0.08 0.07 0.00 -1.27 0.00 0.00 60.65 60.00 1x40 h LYS 19 Cb 1.54 0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 33.55 1x40 h LYS 19 CO -0.10 -0.74 0.25 -0.44 -2.27 0.00 0.00 179.45 176.14 1x40 h ASP 20 N -1.16 0.30 -1.00 4.20 3.32 -1.74 0.30 116.42 120.65 1x40 h ASP 20 Ca -0.11 0.06 0.21 0.00 0.02 0.00 0.00 57.03 57.20 1x40 h ASP 20 Cb 0.90 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.36 1x40 h ASP 20 CO 0.16 0.19 0.61 0.15 -1.72 0.00 0.00 179.24 178.64 1x40 h PHE 21 N 0.46 0.97 0.04 4.55 3.57 -1.25 -2.22 116.94 123.06 1x40 h PHE 21 Ca 0.28 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 1x40 h PHE 21 Cb 0.28 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1x40 h PHE 21 CO -0.14 0.19 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.04 1x40 h LEU 22 N 0.67 -0.05 -0.83 0.59 3.38 -0.54 -3.33 115.31 115.19 1x40 h LEU 22 Ca 0.58 -0.48 0.22 0.00 0.09 0.00 0.00 57.88 58.29 1x40 h LEU 22 Cb 1.03 0.01 -0.16 0.00 0.09 0.00 0.00 40.66 41.64 1x40 h LEU 22 CO -0.36 0.66 -0.02 0.23 0.09 0.00 0.00 178.44 179.04 1x40 n MET 23 N -4.75 -0.07 -0.09 1.13 2.81 -0.03 0.13 117.12 116.25 1x40 n MET 23 Ca -0.06 1.25 -0.06 0.00 -1.81 0.00 0.00 57.70 57.03 1x40 n MET 23 Cb 0.25 -1.97 0.00 0.00 -0.71 0.00 0.00 33.22 30.80 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 -0.23 0.51 7.83 0.87 -1.53 -0.46 113.55 120.54 1x40 h SER 24 Ca 0.49 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 1x40 h SER 24 Cb 0.97 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1x40 h SER 24 CO -0.79 -0.08 -0.17 2.30 -0.53 0.00 0.00 176.83 177.56 1x40 n ILE 25 N -5.23 0.00 -2.74 2.23 -5.35 0.33 -4.93 119.36 103.68 1x40 n ILE 25 Ca 0.01 -0.04 -0.11 0.00 -0.27 0.00 0.00 62.75 62.34 1x40 n ILE 25 Cb 0.18 -0.08 0.02 0.00 -1.74 0.00 0.00 39.64 38.02 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 -1.16 -3.78 -0.50 7.28 4.13 0.34 -4.93 115.26 116.64 1x40 n ASN 26 Ca 0.11 -0.17 0.08 0.00 1.68 0.00 0.00 54.58 56.28 1x40 n ASN 26 Cb 0.30 -2.58 0.19 0.00 -1.54 0.00 0.00 39.78 36.16 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 -2.19 3.06 0.09 3.41 7.99 -0.94 -4.69 117.00 123.74 1x40 n LEU 27 Ca -0.03 -3.23 0.05 0.00 -0.01 0.00 0.00 56.01 52.79 1x40 n LEU 27 Cb 0.55 -0.50 0.28 0.00 -0.11 0.00 0.00 43.42 43.64 1x40 n LEU 27 CO 0.24 0.83 0.67 -0.62 -1.51 0.00 0.00 177.39 177.01 1x40 n GLU 28 N -1.08 0.07 0.28 3.23 4.71 -1.26 -0.96 120.64 125.63 1x40 n GLU 28 Ca 0.20 0.53 0.19 0.00 -0.01 0.00 0.00 57.16 58.07 1x40 n GLU 28 Cb 0.77 -1.81 0.90 0.00 -1.01 0.00 0.00 31.44 30.28 1x40 n GLU 28 CO 0.00 0.00 0.00 -0.56 0.09 0.00 0.00 177.13 176.66 1x40 h GLN 29 N 0.00 0.00 -0.69 3.49 3.07 -1.96 -0.88 115.11 118.14 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 0.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.75 1x40 h GLN 29 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 1x40 n TYR 30 N -2.95 1.26 -0.14 0.06 4.01 -0.14 -4.47 117.16 114.80 1x40 n TYR 30 Ca -0.01 -0.55 -0.06 0.00 -0.16 0.00 0.00 57.90 57.13 1x40 n TYR 30 Cb 0.18 -0.14 0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1x40 n TYR 30 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1x40 h LEU 31 N 4.15 0.32 -0.62 7.72 5.85 -1.32 -1.73 115.31 129.68 1x40 h LEU 31 Ca 0.00 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1x40 h LEU 31 Cb 1.24 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 1x40 h LEU 31 CO 0.13 0.23 0.36 0.25 -0.34 0.00 0.00 178.44 179.07 1x40 h LEU 32 N 0.44 0.75 0.01 2.25 7.12 -1.81 -0.78 115.31 123.29 1x40 h LEU 32 Ca 0.19 -0.07 0.02 0.00 0.13 0.00 0.00 57.88 58.14 1x40 h LEU 32 Cb 0.09 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.01 1x40 h LEU 32 CO -0.13 0.61 -0.13 0.45 -0.13 0.00 0.00 178.44 179.10 1x40 h HIS 33 N 0.83 -0.34 -0.91 1.25 3.86 -1.73 -0.02 115.15 118.09 1x40 h HIS 33 Ca 0.22 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 1x40 h HIS 33 Cb 0.01 0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 1x40 h HIS 33 CO -0.02 -0.20 0.50 0.74 0.86 0.00 0.00 177.93 179.81 1x40 h PHE 34 N -0.23 1.24 0.00 2.45 0.04 -1.15 -2.53 116.94 116.76 1x40 h PHE 34 Ca 0.04 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1x40 h PHE 34 Cb 0.28 -0.40 0.00 0.00 2.20 0.00 0.00 35.95 38.04 1x40 h PHE 34 CO -0.19 0.86 0.00 0.72 -0.60 0.00 0.00 178.31 179.10 1x40 n HIS 35 N -4.33 0.00 0.07 -0.55 8.25 -0.32 -0.58 115.22 117.76 1x40 n HIS 35 Ca 0.10 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.73 1x40 n HIS 35 Cb 0.10 -0.49 0.44 0.00 1.12 0.00 0.00 29.99 31.15 1x40 n HIS 35 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1x40 h GLU 36 N 0.00 0.00 0.16 -0.41 5.08 -1.06 1.38 114.58 119.73 1x40 h GLU 36 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1x40 h GLU 36 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 1x40 h GLU 36 CO 0.00 0.00 -1.31 1.03 -1.00 0.00 0.00 179.01 177.73 1x40 h SER 37 N 0.00 0.59 0.00 1.42 0.87 -1.12 -3.48 113.55 111.83 1x40 h SER 37 Ca 0.24 -0.62 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1x40 h SER 37 Cb 2.01 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 1x40 h SER 37 CO -0.00 1.48 0.00 0.61 -0.53 0.00 0.00 176.83 178.38 1x40 n GLY 38 N 1.55 1.82 3.21 5.77 0.00 0.47 -5.10 105.19 112.92 1x40 n GLY 38 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.82 3.23 -0.23 1.61 0.08 0.25 -4.94 117.98 116.16 1x40 s PHE 39 Ca 0.00 -1.67 0.10 0.00 0.12 0.00 0.00 56.93 55.48 1x40 s PHE 39 Cb 0.00 -2.15 -0.20 0.00 -0.57 0.00 0.00 43.02 40.10 1x40 s PHE 39 CO 0.00 -0.76 -0.08 0.25 -0.10 0.00 0.00 175.22 174.52 1x40 n THR 40 N 4.69 1.41 -4.58 0.64 -2.24 -1.26 -3.81 114.28 109.13 1x40 n THR 40 Ca -0.14 -0.70 -0.27 0.00 -2.27 0.00 0.00 64.05 60.68 1x40 n THR 40 Cb 0.44 -0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 67.65 1x40 n THR 40 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1x40 n THR 41 N -3.00 0.00 0.07 4.28 -2.24 -1.26 -0.26 114.28 111.87 1x40 n THR 41 Ca -0.39 -2.33 -0.14 0.00 -2.27 0.00 0.00 64.05 58.92 1x40 n THR 41 Cb 1.06 0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 69.94 1x40 n THR 41 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1x40 h VAL 42 N 1.51 1.41 -0.66 2.28 2.07 -1.38 -3.21 116.25 118.27 1x40 h VAL 42 Ca -0.35 -2.48 0.12 0.00 0.82 0.00 0.00 66.70 64.81 1x40 h VAL 42 Cb 1.21 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 33.39 1x40 h VAL 42 CO 0.56 0.74 0.44 0.50 0.02 0.00 0.00 177.57 179.84 1x40 h LYS 43 N 0.22 0.40 0.00 1.57 1.63 -1.97 0.28 116.57 118.69 1x40 h LYS 43 Ca -0.08 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1x40 h LYS 43 Cb 1.60 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 33.14 1x40 h LYS 43 CO 0.17 0.26 -0.06 -0.44 -3.45 0.00 0.00 179.45 175.93 1x40 h ASP 44 N 0.41 0.00 0.00 4.20 3.32 -1.96 -2.47 116.42 119.92 1x40 h ASP 44 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1x40 h ASP 44 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1x40 h ASP 44 CO -0.09 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.49 1x40 h ALA 46 N 2.90 1.73 0.00 0.00 0.00 -1.53 -2.16 119.26 120.20 1x40 h ALA 46 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1x40 h ALA 46 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1x40 h ALA 46 CO 0.00 0.25 -1.41 0.00 0.00 0.00 0.00 179.25 178.09 1x40 n ALA 47 N -2.48 2.49 -1.75 0.00 0.00 -1.24 -4.94 120.51 112.58 1x40 n ALA 47 Ca 0.03 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 1x40 n ALA 47 Cb 0.06 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 1x40 n ALA 47 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1x40 n ILE 48 N -2.59 1.47 -4.26 0.00 5.41 -0.81 -5.01 119.36 113.57 1x40 n ILE 48 Ca -0.04 -0.37 -0.14 0.00 1.00 0.00 0.00 62.75 63.20 1x40 n ILE 48 Cb 0.62 -1.93 -0.10 0.00 -0.71 0.00 0.00 39.64 37.52 1x40 n ILE 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1x40 s ASN 49 N 0.19 1.27 0.33 4.38 2.47 -1.26 -4.97 114.94 117.35 1x40 s ASN 49 Ca 0.59 -1.21 0.09 0.00 0.42 0.00 0.00 52.86 52.75 1x40 s ASN 49 Cb -0.50 0.12 0.96 0.00 -1.45 0.00 0.00 41.25 40.38 1x40 s ASN 49 CO 0.56 -0.59 1.58 0.44 -3.72 0.00 0.00 177.10 175.37 1x40 h ASP 50 N 2.62 -0.15 0.05 -4.21 5.19 -1.98 1.81 116.42 119.74 1x40 h ASP 50 Ca -0.37 0.27 -0.08 0.00 -0.62 0.00 0.00 57.03 56.22 1x40 h ASP 50 Cb 1.21 0.39 -0.01 0.00 0.18 0.00 0.00 39.33 41.10 1x40 h ASP 50 CO 0.62 -0.37 -0.25 0.77 -3.12 0.00 0.00 179.24 176.90 1x40 h SER 51 N 0.03 0.33 -0.49 6.45 4.64 -1.99 -2.81 113.55 119.70 1x40 h SER 51 Ca 0.69 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.80 1x40 h SER 51 Cb 1.58 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.57 1x40 h SER 51 CO -0.85 0.58 -0.09 0.25 -0.87 0.00 0.00 176.83 175.85 1x40 h LEU 52 N 0.30 0.96 0.36 5.97 7.12 0.24 -2.50 115.31 127.76 1x40 h LEU 52 Ca 0.05 -0.30 -0.02 0.00 0.13 0.00 0.00 57.88 57.74 1x40 h LEU 52 Cb 0.60 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.47 1x40 h LEU 52 CO 0.04 1.07 -0.17 -0.07 -0.13 0.00 0.00 178.44 179.18 1x40 h LEU 53 N 0.87 -0.41 -0.12 2.25 -0.00 -1.00 -0.92 115.31 115.98 1x40 h LEU 53 Ca 0.14 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 1x40 h LEU 53 Cb 0.64 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1x40 h LEU 53 CO 0.04 -0.24 0.00 0.00 -0.00 0.00 0.00 178.44 178.24 1x40 n GLN 54 N -5.27 0.02 -0.09 1.13 10.64 -1.12 -2.55 117.38 120.13 1x40 n GLN 54 Ca -0.10 0.40 -0.19 0.00 -1.83 0.00 0.00 57.00 55.28 1x40 n GLN 54 Cb 0.23 -1.55 -0.11 0.00 -0.86 0.00 0.00 30.24 27.95 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 -0.73 2.61 1.63 -0.85 -3.35 116.57 115.88 1x40 h LYS 55 Ca 0.00 0.00 0.21 0.00 -0.85 0.00 0.00 60.65 60.01 1x40 h LYS 55 Cb 0.12 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 1x40 h LYS 55 CO 0.00 0.92 0.58 -0.84 -3.45 0.00 0.00 179.45 176.65 1x40 h ILE 56 N -1.00 0.51 0.00 2.00 3.07 -0.92 -3.44 117.51 117.73 1x40 h ILE 56 Ca -0.24 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.17 1x40 h ILE 56 Cb 1.16 0.58 0.00 0.00 -0.27 0.00 0.00 36.82 38.29 1x40 h ILE 56 CO -0.15 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.56 1x40 n GLY 57 N -1.65 2.19 3.14 0.16 0.00 -1.19 -4.82 105.19 103.02 1x40 n GLY 57 Ca 0.15 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.12 -4.77 119.36 118.43 1x40 n ILE 58 Ca 0.00 -0.16 -0.09 0.00 1.00 0.00 0.00 62.75 63.50 1x40 n ILE 58 Cb 0.00 -0.29 -0.05 0.00 -0.71 0.00 0.00 39.64 38.59 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 10.45 -0.39 -2.98 4.38 0.02 -1.88 -3.36 113.55 119.79 1x40 h SER 59 Ca -0.02 -0.08 -0.53 0.00 -0.84 0.00 0.00 61.79 60.32 1x40 h SER 59 Cb 1.12 0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.77 1x40 h SER 59 CO 1.32 0.07 0.75 -2.16 -1.14 0.00 0.00 176.83 175.67 1x40 s PRO 60 N -3.41 4.31 0.08 3.45 0.04 -1.26 -4.94 135.00 133.27 1x40 s PRO 60 Ca -0.09 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 1x40 s PRO 60 Cb 0.01 -3.36 -0.17 0.00 0.04 0.00 0.00 34.50 31.02 1x40 s PRO 60 CO 0.31 -0.47 1.27 1.15 0.04 0.00 0.00 177.00 179.30 1x40 h THR 61 N 4.48 1.31 -1.32 1.26 2.02 -2.01 -3.24 112.91 115.42 1x40 h THR 61 Ca -0.41 -1.91 0.45 0.00 0.77 0.00 0.00 66.41 65.31 1x40 h THR 61 Cb 1.20 2.07 -0.12 0.00 -1.74 0.00 0.00 68.15 69.55 1x40 h THR 61 CO 0.87 0.59 0.86 0.61 0.37 0.00 0.00 175.52 178.82 1x40 n GLY 62 N 0.70 -0.79 0.18 2.16 0.00 -1.26 0.18 105.19 106.37 1x40 n GLY 62 Ca -0.08 0.70 -0.20 0.00 0.00 0.00 0.00 46.02 46.44 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 0.98 0.18 1.61 -0.00 -1.98 -3.29 115.15 112.65 1x40 h HIS 63 Ca 0.82 -0.56 0.01 0.00 -0.00 0.00 0.00 60.37 60.64 1x40 h HIS 63 Cb 2.69 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 29.95 1x40 h HIS 63 CO -0.01 1.39 -0.47 0.00 -0.00 0.00 0.00 177.93 178.85 1x40 h ARG 64 N 0.29 -0.71 -0.80 2.45 3.08 0.19 0.17 114.38 119.05 1x40 h ARG 64 Ca -0.14 0.05 0.18 0.00 0.07 0.00 0.00 59.98 60.14 1x40 h ARG 64 Cb 1.70 0.16 -0.14 0.00 0.08 0.00 0.00 29.97 31.77 1x40 h ARG 64 CO 0.20 -0.48 -0.04 0.00 -1.07 0.00 0.00 179.97 178.58 1x40 h ARG 65 N -0.74 0.06 -0.51 0.04 3.08 -1.57 0.34 114.38 115.09 1x40 h ARG 65 Ca 0.00 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1x40 h ARG 65 Cb 0.74 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1x40 h ARG 65 CO -0.23 0.04 0.07 -0.09 -1.07 0.00 0.00 179.97 178.69 1x40 h ARG 66 N 0.07 0.85 0.82 0.04 2.43 -1.46 -0.46 114.38 116.67 1x40 h ARG 66 Ca 0.43 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 1x40 h ARG 66 Cb 0.76 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1x40 h ARG 66 CO -0.74 0.85 -0.39 0.82 -1.51 0.00 0.00 179.97 178.99 1x40 h ILE 67 N 0.73 0.15 -0.28 1.20 2.04 0.24 -3.05 117.51 118.54 1x40 h ILE 67 Ca 0.15 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1x40 h ILE 67 Cb 0.41 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1x40 h ILE 67 CO 0.01 0.01 0.04 -0.07 0.00 0.00 0.00 178.15 178.14 1x40 h LEU 68 N -1.17 -0.03 -0.92 1.44 3.38 -0.53 -2.59 115.31 114.89 1x40 h LEU 68 Ca -0.11 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.07 1x40 h LEU 68 Cb 0.85 0.07 -0.16 0.00 0.09 0.00 0.00 40.66 41.52 1x40 h LEU 68 CO 0.18 0.02 -0.31 1.17 0.09 0.00 0.00 178.44 179.59 1x40 n LYS 69 N -5.11 -0.17 0.21 1.13 4.81 -0.18 -0.38 118.16 118.47 1x40 n LYS 69 Ca -0.01 1.43 -0.15 0.00 -0.87 0.00 0.00 58.31 58.71 1x40 n LYS 69 Cb 0.13 -2.12 -0.08 0.00 0.02 0.00 0.00 35.03 32.97 1x40 n LYS 69 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1x40 h GLN 70 N 0.00 -0.49 -1.00 1.64 1.08 -1.36 -2.81 115.11 112.18 1x40 h GLN 70 Ca 0.37 0.03 0.37 0.00 -1.45 0.00 0.00 58.65 57.97 1x40 h GLN 70 Cb 0.60 0.11 -0.18 0.00 -0.05 0.00 0.00 27.48 27.96 1x40 h GLN 70 CO -0.93 -0.27 0.38 -0.07 -0.95 0.00 0.00 178.83 177.00 1x40 h LEU 71 N -0.60 0.08 -0.06 1.46 3.38 -0.45 0.66 115.31 119.78 1x40 h LEU 71 Ca -0.05 0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1x40 h LEU 71 Cb 0.45 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1x40 h LEU 71 CO 0.08 -0.40 0.01 1.56 0.09 0.00 0.00 178.44 179.79 1x40 h GLN 72 N 0.02 0.11 -0.05 1.13 4.20 -1.06 0.12 115.11 119.57 1x40 h GLN 72 Ca 0.77 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.45 1x40 h GLN 72 Cb 1.91 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.68 1x40 h GLN 72 CO -0.81 0.32 0.03 0.82 -0.67 0.00 0.00 178.83 178.52 1x40 h ILE 73 N -0.13 1.07 0.87 2.54 2.04 0.35 -1.21 117.51 123.05 1x40 h ILE 73 Ca 0.02 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1x40 h ILE 73 Cb 0.26 1.12 0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1x40 h ILE 73 CO 0.00 0.06 -0.42 0.40 0.00 0.00 0.00 178.15 178.19 1x40 h ILE 74 N 0.00 0.00 -0.64 -0.67 2.04 -0.59 -3.17 117.51 114.48 1x40 h ILE 74 Ca 0.02 -0.10 0.12 0.00 1.00 0.00 0.00 64.86 65.90 1x40 h ILE 74 Cb 0.08 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.03 1x40 h ILE 74 CO -0.00 0.00 -0.24 -0.07 0.00 0.00 0.00 178.15 177.83 1x40 h LEU 75 N -1.27 -0.87 -1.00 1.44 3.38 -0.80 0.36 115.31 116.56 1x40 h LEU 75 Ca -0.12 0.21 0.25 0.00 0.09 0.00 0.00 57.88 58.31 1x40 h LEU 75 Cb 0.90 0.49 -0.19 0.00 0.09 0.00 0.00 40.66 41.95 1x40 h LEU 75 CO 0.20 -0.26 -0.08 -0.24 0.09 0.00 0.00 178.44 178.15 1x40 n SER 76 N -5.45 -0.20 0.32 -0.43 2.88 -0.46 -1.02 113.62 109.26 1x40 n SER 76 Ca 0.07 1.70 -0.14 0.00 -1.33 0.00 0.00 58.87 59.17 1x40 n SER 76 Cb 0.35 -0.58 -0.07 0.00 -0.75 0.00 0.00 64.21 63.16 1x40 n SER 76 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1x40 h LYS 77 N 0.00 -0.81 -5.24 -1.46 1.57 -0.92 -3.41 116.57 106.30 1x40 h LYS 77 Ca 0.56 0.06 -0.40 0.00 -1.87 0.00 0.00 60.65 59.00 1x40 h LYS 77 Cb 1.06 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.50 1x40 h LYS 77 CO -0.97 -0.52 1.53 -1.33 -0.57 0.00 0.00 179.45 177.59 1x40 n MET 78 N -5.35 0.40 -2.63 3.15 2.81 -0.19 -4.89 117.12 110.43 1x40 n MET 78 Ca -0.11 -0.12 -0.26 0.00 -1.81 0.00 0.00 57.70 55.40 1x40 n MET 78 Cb 0.35 -2.34 0.01 0.00 -0.71 0.00 0.00 33.22 30.53 1x40 n MET 78 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1x40 s GLN 79 N 8.44 3.22 0.00 0.03 -0.44 -1.26 -4.91 119.66 124.74 1x40 s GLN 79 Ca 1.18 -0.02 -0.04 0.00 -2.50 0.00 0.00 55.36 53.98 1x40 s GLN 79 Cb -0.70 -2.38 -0.17 0.00 -1.64 0.00 0.00 33.01 28.13 1x40 s GLN 79 CO 0.38 -0.39 2.87 -0.25 0.50 0.00 0.00 175.29 178.39 1x40 n ASP 80 N -2.34 4.81 -4.79 6.67 8.00 -1.26 -4.91 116.55 122.74 1x40 n ASP 80 Ca 0.02 -2.36 -0.36 0.00 0.71 0.00 0.00 54.79 52.80 1x40 n ASP 80 Cb 0.57 -1.21 -0.04 0.00 -0.02 0.00 0.00 41.12 40.41 1x40 n ASP 80 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1x40 s ILE 81 N 0.86 3.76 0.88 0.53 -5.25 -1.26 -5.04 121.20 115.67 1x40 s ILE 81 Ca 0.42 1.26 -0.11 0.00 -0.99 0.00 0.00 60.65 61.22 1x40 s ILE 81 Cb 0.20 -3.61 0.12 0.00 2.95 0.00 0.00 42.46 42.12 1x40 s ILE 81 CO 0.00 -0.07 1.09 -2.16 -1.79 0.00 0.00 174.94 172.01 1x40 s PRO 82 N -2.73 1.42 0.09 0.37 0.04 -1.26 -5.02 135.00 127.91 1x40 s PRO 82 Ca 0.61 0.87 -0.22 0.00 0.04 0.00 0.00 61.00 62.30 1x40 s PRO 82 Cb -0.20 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 1x40 s PRO 82 CO 0.25 -2.14 0.65 0.42 0.04 0.00 0.00 177.00 176.22 1x40 s ILE 83 N -2.93 4.65 -0.05 0.56 -1.09 -1.26 -4.99 121.20 116.09 1x40 s ILE 83 Ca 0.63 1.39 -0.07 0.00 -2.23 0.00 0.00 60.65 60.37 1x40 s ILE 83 Cb -0.18 -3.99 -0.03 0.00 -1.58 0.00 0.00 42.46 36.68 1x40 s ILE 83 CO 0.57 0.52 -0.15 -1.22 -1.23 0.00 0.00 174.94 173.42 1x40 n TYR 84 N 1.87 0.00 -3.35 3.97 4.02 -1.26 -4.97 117.16 117.44 1x40 n TYR 84 Ca -0.08 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.41 1x40 n TYR 84 Cb 0.50 -0.27 -0.09 0.00 -0.02 0.00 0.00 39.34 39.46 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 -2.35 3.52 0.19 -0.72 0.00 -1.26 -4.97 121.76 116.18 1x40 s ALA 85 Ca -0.14 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 50.71 1x40 s ALA 85 Cb 0.03 -2.84 0.21 0.00 0.00 0.00 0.00 23.12 20.52 1x40 s ALA 85 CO 0.19 -0.95 1.67 0.77 0.00 0.00 0.00 175.76 177.45 1x40 h SER 86 N 8.34 -0.30 -0.05 0.00 0.02 -2.04 -3.46 113.55 116.06 1x40 h SER 86 Ca -0.30 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1x40 h SER 86 Cb 1.14 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1x40 h SER 86 CO 0.70 -0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.89 1x40 n GLY 87 N -1.34 0.51 3.55 -3.77 0.00 -1.26 -4.04 105.19 98.85 1x40 n GLY 87 Ca 0.06 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 2.59 0.05 1.61 0.04 -1.26 -4.95 135.00 133.08 1x40 s PRO 88 Ca 0.00 0.18 -0.31 0.00 0.04 0.00 0.00 61.00 60.92 1x40 s PRO 88 Cb 0.00 -4.71 -0.06 0.00 0.04 0.00 0.00 34.50 29.77 1x40 s PRO 88 CO 0.00 -3.04 1.35 0.45 0.04 0.00 0.00 177.00 175.80 1x40 s SER 89 N 8.08 6.89 0.35 6.66 0.15 -1.26 -4.93 113.70 129.64 1x40 s SER 89 Ca 0.69 2.16 -0.17 0.00 0.70 0.00 0.00 55.95 59.32 1x40 s SER 89 Cb -0.10 -2.57 -0.13 0.00 -1.71 0.00 0.00 66.02 61.51 1x40 s SER 89 CO 0.10 -0.65 0.05 -0.24 1.20 0.00 0.00 173.24 173.71 1x40 n SER 90 N 4.62 -2.50 0.00 5.45 2.88 -1.26 -5.13 113.62 117.67 1x40 n SER 90 Ca 0.12 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 1x40 n SER 90 Cb 0.44 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 1x40 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42