#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 6.06 0.04 1.61 0.15 -1.26 -5.08 113.70 115.22 1x40 s SER 2 Ca 0.00 0.04 0.06 0.00 0.70 0.00 0.00 55.95 56.75 1x40 s SER 2 Cb 0.00 -2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 62.15 1x40 s SER 2 CO 0.00 -0.05 -0.15 -0.94 1.20 0.00 0.00 173.24 173.31 1x40 s SER 3 N 1.65 4.04 0.00 5.45 1.04 -1.26 -4.96 113.70 119.66 1x40 s SER 3 Ca 0.08 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1x40 s SER 3 Cb -0.16 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.23 1x40 s SER 3 CO 0.10 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.18 1x40 n GLY 4 N 1.43 -1.28 3.47 7.32 0.00 -1.26 -5.08 105.19 109.79 1x40 n GLY 4 Ca -0.16 0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.00 6.25 -0.69 1.61 0.15 -1.26 -4.99 113.70 110.77 1x40 s SER 5 Ca 0.00 -0.78 -0.06 0.00 0.70 0.00 0.00 55.95 55.81 1x40 s SER 5 Cb 0.00 -2.35 0.18 0.00 -1.71 0.00 0.00 66.02 62.14 1x40 s SER 5 CO 0.00 -1.06 0.55 -0.44 1.20 0.00 0.00 173.24 173.49 1x40 s SER 6 N 2.88 5.71 0.00 5.45 0.01 -1.26 -5.02 113.70 121.46 1x40 s SER 6 Ca 0.20 -2.83 0.00 0.00 1.31 0.00 0.00 55.95 54.63 1x40 s SER 6 Cb -0.17 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1x40 s SER 6 CO 0.14 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1x40 n GLY 7 N 3.60 -1.13 4.04 3.44 0.00 -1.26 -4.75 105.19 109.13 1x40 n GLY 7 Ca 0.10 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1x40 n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x40 n MET 8 N 0.00 -0.88 -3.76 1.61 2.00 -1.26 -4.91 117.12 109.93 1x40 n MET 8 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 57.70 57.63 1x40 n MET 8 Cb 0.00 -2.90 -0.11 0.00 0.00 0.00 0.00 33.22 30.21 1x40 n MET 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1x40 s SER 9 N -4.13 -0.34 0.17 7.83 0.15 -1.26 -5.12 113.70 111.00 1x40 s SER 9 Ca 0.05 0.67 -0.11 0.00 0.70 0.00 0.00 55.95 57.25 1x40 s SER 9 Cb -0.03 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1x40 s SER 9 CO 0.84 -0.12 0.34 -0.44 1.20 0.00 0.00 173.24 175.07 1x40 s SER 10 N 0.17 -0.04 -0.03 5.45 0.01 -1.26 -5.07 113.70 112.94 1x40 s SER 10 Ca -0.00 -0.74 -0.21 0.00 1.31 0.00 0.00 55.95 56.31 1x40 s SER 10 Cb -0.02 0.47 -0.31 0.00 0.21 0.00 0.00 66.02 66.37 1x40 s SER 10 CO 0.00 -0.92 0.95 -0.37 0.41 0.00 0.00 173.24 173.31 1x40 h VAL 11 N 2.47 1.46 -0.63 3.43 -1.51 -2.02 -3.36 116.25 116.09 1x40 h VAL 11 Ca -0.31 -2.48 0.06 0.00 -1.23 0.00 0.00 66.70 62.73 1x40 h VAL 11 Cb 1.24 3.07 -0.08 0.00 -2.13 0.00 0.00 31.29 33.39 1x40 h VAL 11 CO 0.46 0.71 -0.37 -1.20 -1.23 0.00 0.00 177.57 175.94 1x40 n SER 12 N -4.08 -0.67 -4.76 4.19 7.64 -1.26 -4.31 113.62 110.38 1x40 n SER 12 Ca -0.14 1.31 -0.41 0.00 1.01 0.00 0.00 58.87 60.64 1x40 n SER 12 Cb 0.84 -0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 63.78 1x40 n SER 12 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1x40 s GLU 13 N -4.84 4.16 -0.15 1.43 2.02 -1.26 -4.92 118.70 115.13 1x40 s GLU 13 Ca -0.08 2.50 0.18 0.00 0.02 0.00 0.00 54.97 57.60 1x40 s GLU 13 Cb 0.07 -3.03 -0.25 0.00 0.10 0.00 0.00 34.13 31.01 1x40 s GLU 13 CO 0.39 -0.55 0.21 0.28 0.02 0.00 0.00 175.26 175.62 1x40 n VAL 14 N 1.77 1.23 -2.74 2.63 0.31 -1.26 -4.92 118.33 115.34 1x40 n VAL 14 Ca 0.06 -0.80 -0.41 0.00 -0.01 0.00 0.00 64.34 63.18 1x40 n VAL 14 Cb 0.39 -0.47 -0.04 0.00 -0.91 0.00 0.00 33.84 32.80 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 -5.44 7.49 0.10 4.52 3.84 -1.26 -4.93 114.94 119.27 1x40 s ASN 15 Ca -0.09 1.78 0.08 0.00 0.21 0.00 0.00 52.86 54.85 1x40 s ASN 15 Cb 0.07 -2.58 -0.04 0.00 -0.55 0.00 0.00 41.25 38.15 1x40 s ASN 15 CO 0.84 -0.05 -0.16 -0.69 -2.79 0.00 0.00 177.10 174.25 1x40 s VAL 16 N -0.05 3.00 0.18 -5.21 1.01 -1.26 -5.06 120.40 113.02 1x40 s VAL 16 Ca 0.46 -1.37 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1x40 s VAL 16 Cb -0.23 -2.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.70 1x40 s VAL 16 CO 0.30 0.15 1.09 -0.62 0.00 0.00 0.00 175.10 176.01 1x40 s ASP 17 N -2.04 7.28 0.65 3.32 -1.08 -1.26 -2.16 116.67 121.38 1x40 s ASP 17 Ca 0.18 2.09 0.16 0.00 -0.52 0.00 0.00 52.55 54.46 1x40 s ASP 17 Cb -0.11 -2.60 0.82 0.00 -1.46 0.00 0.00 42.92 39.57 1x40 s ASP 17 CO 0.10 -0.20 1.45 -0.29 0.52 0.00 0.00 175.17 176.75 1x40 h ILE 18 N 3.69 0.03 0.39 4.11 6.09 -0.72 0.88 117.51 131.98 1x40 h ILE 18 Ca -0.44 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.03 1x40 h ILE 18 Cb 1.21 0.30 0.00 0.00 0.47 0.00 0.00 36.82 38.81 1x40 h ILE 18 CO 0.72 0.00 -0.19 0.50 -3.07 0.00 0.00 178.15 176.11 1x40 h LYS 19 N 0.00 -0.51 -0.81 2.19 3.64 -1.90 -2.84 116.57 116.35 1x40 h LYS 19 Ca 0.06 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1x40 h LYS 19 Cb 1.51 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.41 1x40 h LYS 19 CO -0.00 -0.20 0.35 0.22 -2.27 0.00 0.00 179.45 177.55 1x40 h ASP 20 N -0.91 1.08 -0.41 4.20 1.82 -1.22 -1.30 116.42 119.68 1x40 h ASP 20 Ca -0.05 -0.15 0.12 0.00 -0.39 0.00 0.00 57.03 56.55 1x40 h ASP 20 Cb 0.55 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 1x40 h ASP 20 CO 0.09 0.94 0.29 0.15 -1.61 0.00 0.00 179.24 179.10 1x40 h PHE 21 N 1.16 0.01 0.05 0.28 3.57 -1.46 0.14 116.94 120.70 1x40 h PHE 21 Ca 0.27 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.58 1x40 h PHE 21 Cb 0.17 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1x40 h PHE 21 CO 0.02 0.01 -0.99 -0.07 -2.23 0.00 0.00 178.31 175.04 1x40 h LEU 22 N 0.01 0.16 -2.05 0.59 3.38 -1.13 -3.35 115.31 112.92 1x40 h LEU 22 Ca 0.19 -0.78 0.01 0.00 0.09 0.00 0.00 57.88 57.40 1x40 h LEU 22 Cb 0.76 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1x40 h LEU 22 CO -0.00 1.42 0.03 0.24 0.09 0.00 0.00 178.44 180.22 1x40 h MET 23 N -0.71 0.00 0.00 1.13 2.86 -0.76 0.35 114.93 117.80 1x40 h MET 23 Ca -0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1x40 h MET 23 Cb 1.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.08 1x40 h MET 23 CO -0.04 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.59 1x40 h SER 24 N 0.00 0.00 0.00 1.22 4.64 -0.86 -2.64 113.55 115.92 1x40 h SER 24 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1x40 h SER 24 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1x40 h SER 24 CO -0.00 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 1x40 n ILE 25 N -2.66 0.00 -2.66 0.95 -5.35 0.05 -5.02 119.36 104.67 1x40 n ILE 25 Ca -0.00 -0.41 -0.08 0.00 -0.27 0.00 0.00 62.75 61.99 1x40 n ILE 25 Cb 0.18 1.15 0.04 0.00 -1.74 0.00 0.00 39.64 39.27 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 -0.12 -2.42 -0.94 7.28 2.85 0.10 -4.97 115.26 117.04 1x40 n ASN 26 Ca 0.00 -0.24 0.05 0.00 -0.11 0.00 0.00 54.58 54.27 1x40 n ASN 26 Cb 0.04 -2.37 0.10 0.00 1.24 0.00 0.00 39.78 38.79 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 -2.28 1.65 0.23 1.20 7.99 0.04 -4.80 117.00 121.03 1x40 n LEU 27 Ca -0.09 -2.70 0.16 0.00 -0.01 0.00 0.00 56.01 53.36 1x40 n LEU 27 Cb 0.56 -0.23 0.83 0.00 -0.11 0.00 0.00 43.42 44.46 1x40 n LEU 27 CO 0.25 0.83 0.97 1.05 -1.51 0.00 0.00 177.39 178.98 1x40 h GLU 28 N 0.81 0.00 0.00 3.23 -0.00 -1.90 -1.43 114.58 115.29 1x40 h GLU 28 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.26 1x40 h GLU 28 Cb 1.44 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.19 1x40 h GLU 28 CO 0.04 0.00 0.00 -0.56 -0.00 0.00 0.00 179.01 178.49 1x40 h GLN 29 N 0.00 0.00 -0.62 1.06 3.07 -1.95 0.13 115.11 116.80 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 0.02 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.58 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 -2.67 0.93 -0.06 0.06 4.01 -0.54 -4.51 117.16 114.39 1x40 n TYR 30 Ca -0.02 -0.52 -0.10 0.00 -0.16 0.00 0.00 57.90 57.10 1x40 n TYR 30 Cb 0.08 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 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 3.68 0.27 -1.70 7.72 5.85 -0.88 -0.80 115.31 129.45 1x40 h LEU 31 Ca 0.00 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1x40 h LEU 31 Cb 1.00 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1x40 h LEU 31 CO 0.04 0.26 -0.08 0.25 -0.34 0.00 0.00 178.44 178.56 1x40 h LEU 32 N 0.26 0.00 0.05 2.25 7.12 -1.79 -1.16 115.31 122.04 1x40 h LEU 32 Ca 0.08 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.82 1x40 h LEU 32 Cb 0.04 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.18 1x40 h LEU 32 CO -0.01 0.08 -1.18 0.45 -0.13 0.00 0.00 178.44 177.65 1x40 h HIS 33 N 0.00 0.61 0.09 1.25 3.86 -1.65 -2.79 115.15 116.53 1x40 h HIS 33 Ca -0.00 -0.41 -0.24 0.00 -1.16 0.00 0.00 60.37 58.56 1x40 h HIS 33 Cb 0.45 -0.04 0.02 0.00 1.06 0.00 0.00 27.41 28.91 1x40 h HIS 33 CO 0.00 1.28 -0.99 0.74 0.86 0.00 0.00 177.93 179.82 1x40 h PHE 34 N 0.14 0.82 0.82 2.45 0.04 -0.82 -3.17 116.94 117.22 1x40 h PHE 34 Ca -0.13 -0.51 -0.04 0.00 2.80 0.00 0.00 57.97 60.08 1x40 h PHE 34 Cb 1.88 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 39.97 1x40 h PHE 34 CO 0.07 1.36 -0.40 0.45 -0.60 0.00 0.00 178.31 179.20 1x40 h HIS 35 N 0.05 -1.03 -0.46 -0.55 3.86 -1.29 0.15 115.15 115.88 1x40 h HIS 35 Ca -0.15 -0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.17 1x40 h HIS 35 Cb 1.71 0.34 -0.02 0.00 1.06 0.00 0.00 27.41 30.50 1x40 h HIS 35 CO 0.14 -0.64 0.62 0.93 0.86 0.00 0.00 177.93 179.84 1x40 h GLU 36 N -1.19 0.00 0.03 2.45 4.39 -1.65 0.79 114.58 119.40 1x40 h GLU 36 Ca -0.11 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.35 1x40 h GLU 36 Cb 0.85 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 1x40 h GLU 36 CO 0.19 0.00 -1.17 1.03 -1.16 0.00 0.00 179.01 177.90 1x40 h SER 37 N 0.00 0.11 0.00 1.42 0.87 -1.42 -3.48 113.55 111.05 1x40 h SER 37 Ca 0.22 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1x40 h SER 37 Cb 1.46 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1x40 h SER 37 CO -0.00 1.10 0.00 0.61 -0.53 0.00 0.00 176.83 178.01 1x40 n GLY 38 N 1.43 1.99 3.21 5.77 0.00 0.27 -5.10 105.19 112.76 1x40 n GLY 38 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 3.38 -0.20 1.61 0.08 0.42 -4.92 117.98 116.35 1x40 s PHE 39 Ca 0.00 -1.81 0.06 0.00 0.12 0.00 0.00 56.93 55.30 1x40 s PHE 39 Cb 0.00 -2.76 -0.21 0.00 -0.57 0.00 0.00 43.02 39.47 1x40 s PHE 39 CO 0.00 -0.85 0.05 0.25 -0.10 0.00 0.00 175.22 174.56 1x40 n THR 40 N 4.76 1.53 -4.39 0.64 -2.24 -1.26 -3.68 114.28 109.63 1x40 n THR 40 Ca -0.09 -0.69 -0.20 0.00 -2.27 0.00 0.00 64.05 60.81 1x40 n THR 40 Cb 0.43 -1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 67.38 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 1.36 0.33 4.28 -4.23 -1.26 -0.04 115.64 113.55 1x40 s THR 41 Ca -0.23 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.24 1x40 s THR 41 Cb 0.08 -2.45 0.28 0.00 1.34 0.00 0.00 72.50 71.75 1x40 s THR 41 CO 0.72 -0.27 1.94 0.58 -0.54 0.00 0.00 174.62 177.05 1x40 h VAL 42 N 2.33 1.06 -0.28 2.29 2.07 -1.73 -0.65 116.25 121.34 1x40 h VAL 42 Ca -0.39 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 66.90 1x40 h VAL 42 Cb 1.23 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1x40 h VAL 42 CO 0.67 0.16 0.21 0.11 0.02 0.00 0.00 177.57 178.74 1x40 h LYS 43 N 0.88 0.00 0.00 1.57 1.79 -1.96 0.31 116.57 119.16 1x40 h LYS 43 Ca 0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1x40 h LYS 43 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1x40 h LYS 43 CO -0.11 0.00 0.00 -3.47 -1.08 0.00 0.00 179.45 174.79 1x40 n ASP 44 N -4.37 0.26 -0.73 0.86 -0.08 -0.25 -2.29 116.55 109.95 1x40 n ASP 44 Ca 0.04 0.55 0.07 0.00 -1.51 0.00 0.00 54.79 53.94 1x40 n ASP 44 Cb 0.37 -0.61 0.20 0.00 2.34 0.00 0.00 41.12 43.41 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 3.78 1.23 -0.60 0.00 0.00 -1.55 -1.82 119.26 120.29 1x40 h ALA 46 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1x40 h ALA 46 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1x40 h ALA 46 CO 0.00 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1x40 n ALA 47 N -2.26 2.31 -2.58 0.00 0.00 -1.26 -4.96 120.51 111.76 1x40 n ALA 47 Ca -0.01 -1.25 -0.38 0.00 0.00 0.00 0.00 53.44 51.80 1x40 n ALA 47 Cb 0.26 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.00 5.12 0.15 0.00 1.01 -0.69 -5.04 121.20 120.75 1x40 s ILE 48 Ca 0.40 0.73 0.03 0.00 0.00 0.00 0.00 60.65 61.81 1x40 s ILE 48 Cb 0.21 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 1x40 s ILE 48 CO 0.27 0.57 -0.04 0.20 0.00 0.00 0.00 174.94 175.94 1x40 s ASN 49 N -0.92 1.42 0.11 3.58 -0.87 -1.26 -4.99 114.94 112.01 1x40 s ASN 49 Ca 0.22 -1.09 -0.22 0.00 -1.57 0.00 0.00 52.86 50.20 1x40 s ASN 49 Cb -0.16 0.07 -0.05 0.00 -0.02 0.00 0.00 41.25 41.09 1x40 s ASN 49 CO 0.11 -0.47 1.13 0.47 -2.57 0.00 0.00 177.10 175.77 1x40 n ASP 50 N -0.20 -0.76 -0.30 -1.22 9.92 -1.26 0.23 116.55 122.96 1x40 n ASP 50 Ca -0.09 1.30 0.14 0.00 -0.53 0.00 0.00 54.79 55.61 1x40 n ASP 50 Cb 0.62 -0.18 0.38 0.00 -0.64 0.00 0.00 41.12 41.30 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 0.67 -0.37 -2.24 0.02 -1.98 -0.73 113.55 108.92 1x40 h SER 51 Ca 0.11 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1x40 h SER 51 Cb 0.29 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1x40 h SER 51 CO -0.67 0.29 0.23 0.25 -1.14 0.00 0.00 176.83 175.78 1x40 h LEU 52 N 0.68 0.38 0.52 5.07 7.12 0.25 -1.29 115.31 128.03 1x40 h LEU 52 Ca 0.51 -0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.50 1x40 h LEU 52 Cb 0.88 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.92 1x40 h LEU 52 CO -0.27 0.27 -0.33 -0.07 -0.13 0.00 0.00 178.44 177.92 1x40 h LEU 53 N 0.46 -0.82 -0.07 2.25 -0.00 -0.09 -0.76 115.31 116.28 1x40 h LEU 53 Ca 0.14 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1x40 h LEU 53 Cb -0.01 0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1x40 h LEU 53 CO -0.06 -0.51 0.00 0.00 -0.00 0.00 0.00 178.44 177.87 1x40 n GLN 54 N -5.46 0.01 -0.09 1.13 10.64 -0.96 -2.34 117.38 120.31 1x40 n GLN 54 Ca -0.12 0.46 -0.15 0.00 -1.83 0.00 0.00 57.00 55.37 1x40 n GLN 54 Cb 0.36 -1.52 -0.09 0.00 -0.86 0.00 0.00 30.24 28.12 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 -1.00 2.61 3.11 0.02 -3.36 116.57 117.95 1x40 h LYS 55 Ca 0.00 0.00 0.26 0.00 -2.81 0.00 0.00 60.65 58.10 1x40 h LYS 55 Cb 0.05 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.21 1x40 h LYS 55 CO 0.00 0.71 0.68 -0.84 -2.81 0.00 0.00 179.45 177.19 1x40 h ILE 56 N -1.00 0.55 0.00 2.00 3.07 -0.80 -3.44 117.51 117.89 1x40 h ILE 56 Ca -0.17 -0.09 0.00 0.00 1.55 0.00 0.00 64.86 66.15 1x40 h ILE 56 Cb 0.96 0.28 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 1x40 h ILE 56 CO -0.11 0.05 0.00 0.61 -1.05 0.00 0.00 178.15 177.65 1x40 n GLY 57 N -1.58 1.42 3.05 0.16 0.00 -1.17 -4.99 105.19 102.08 1x40 n GLY 57 Ca 0.22 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 0.16 -0.61 5.41 -1.13 -4.77 119.36 118.42 1x40 n ILE 58 Ca 0.00 -0.13 -0.09 0.00 1.00 0.00 0.00 62.75 63.52 1x40 n ILE 58 Cb 0.00 -0.30 -0.05 0.00 -0.71 0.00 0.00 39.64 38.58 1x40 n ILE 58 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1x40 h SER 59 N 10.20 -0.40 -3.10 4.38 0.87 -1.88 -3.36 113.55 120.25 1x40 h SER 59 Ca -0.02 -0.08 -0.53 0.00 -1.23 0.00 0.00 61.79 59.94 1x40 h SER 59 Cb 1.09 0.10 0.02 0.00 -0.44 0.00 0.00 62.40 63.18 1x40 h SER 59 CO 1.28 0.06 0.69 -2.16 -0.53 0.00 0.00 176.83 176.16 1x40 s PRO 60 N -3.43 4.35 -0.00 2.24 0.04 -1.26 -4.95 135.00 131.98 1x40 s PRO 60 Ca -0.09 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 62.77 1x40 s PRO 60 Cb 0.01 -3.25 -0.23 0.00 0.04 0.00 0.00 34.50 31.07 1x40 s PRO 60 CO 0.31 -0.38 1.10 1.15 0.04 0.00 0.00 177.00 179.22 1x40 h THR 61 N 4.18 1.45 -1.23 1.26 2.02 -2.01 -3.27 112.91 115.31 1x40 h THR 61 Ca -0.43 -2.01 0.42 0.00 0.77 0.00 0.00 66.41 65.17 1x40 h THR 61 Cb 1.21 2.58 -0.12 0.00 -1.74 0.00 0.00 68.15 70.08 1x40 h THR 61 CO 0.84 0.58 0.79 0.61 0.37 0.00 0.00 175.52 178.71 1x40 n GLY 62 N 1.01 -0.74 0.19 2.16 0.00 -1.26 0.23 105.19 106.78 1x40 n GLY 62 Ca -0.10 0.67 -0.19 0.00 0.00 0.00 0.00 46.02 46.40 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 0.97 0.31 1.61 -0.00 -1.98 -3.24 115.15 112.82 1x40 h HIS 63 Ca 0.78 -0.52 -0.01 0.00 -0.00 0.00 0.00 60.37 60.62 1x40 h HIS 63 Cb 2.52 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 29.79 1x40 h HIS 63 CO -0.01 1.35 -0.40 0.00 -0.00 0.00 0.00 177.93 178.88 1x40 h ARG 64 N 0.38 -0.70 -1.07 2.45 3.08 0.28 0.43 114.38 119.23 1x40 h ARG 64 Ca -0.11 0.05 0.31 0.00 0.07 0.00 0.00 59.98 60.30 1x40 h ARG 64 Cb 1.64 0.16 -0.12 0.00 0.08 0.00 0.00 29.97 31.73 1x40 h ARG 64 CO 0.19 -0.47 0.66 0.00 -1.07 0.00 0.00 179.97 179.28 1x40 h ARG 65 N -0.73 0.34 -0.31 0.04 3.08 -1.60 0.61 114.38 115.80 1x40 h ARG 65 Ca -0.04 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 1x40 h ARG 65 Cb 0.65 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1x40 h ARG 65 CO -0.10 0.23 -0.39 -0.09 -1.07 0.00 0.00 179.97 178.56 1x40 h ARG 66 N 0.35 0.75 0.20 0.04 2.43 -1.37 -2.21 114.38 114.57 1x40 h ARG 66 Ca 0.69 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1x40 h ARG 66 Cb 1.70 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 1x40 h ARG 66 CO -0.44 1.00 -0.10 0.82 -1.51 0.00 0.00 179.97 179.74 1x40 h ILE 67 N 0.61 0.89 -0.20 1.20 2.04 0.23 -3.25 117.51 119.05 1x40 h ILE 67 Ca 0.05 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.31 1x40 h ILE 67 Cb 0.93 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 1x40 h ILE 67 CO 0.09 0.14 -0.05 -0.07 0.00 0.00 0.00 178.15 178.25 1x40 h LEU 68 N -0.60 -0.19 -0.84 1.44 3.38 -1.15 -2.33 115.31 115.02 1x40 h LEU 68 Ca -0.03 0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.18 1x40 h LEU 68 Cb 0.44 0.13 -0.16 0.00 0.09 0.00 0.00 40.66 41.15 1x40 h LEU 68 CO 0.05 -0.07 -0.19 1.17 0.09 0.00 0.00 178.44 179.49 1x40 n LYS 69 N -5.20 -0.08 0.03 1.13 4.81 -0.83 0.20 118.16 118.23 1x40 n LYS 69 Ca -0.02 1.31 -0.08 0.00 -0.87 0.00 0.00 58.31 58.64 1x40 n LYS 69 Cb 0.13 -1.97 0.07 0.00 0.02 0.00 0.00 35.03 33.28 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 0.46 -0.66 1.64 1.08 -1.49 -2.89 115.11 113.25 1x40 h GLN 70 Ca 0.41 -0.30 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 1x40 h GLN 70 Cb 0.65 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.09 1x40 h GLN 70 CO -0.86 0.90 0.43 -0.07 -0.95 0.00 0.00 178.83 178.28 1x40 h LEU 71 N 0.34 0.73 0.17 1.46 3.38 0.29 0.12 115.31 121.80 1x40 h LEU 71 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1x40 h LEU 71 Cb 1.11 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1x40 h LEU 71 CO 0.10 0.52 -0.08 1.56 0.09 0.00 0.00 178.44 180.63 1x40 h GLN 72 N 0.86 -0.22 -0.51 1.13 4.20 -0.80 0.18 115.11 119.94 1x40 h GLN 72 Ca 0.25 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.01 1x40 h GLN 72 Cb -0.06 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1x40 h GLN 72 CO -0.07 0.04 0.28 0.82 -0.67 0.00 0.00 178.83 179.24 1x40 h ILE 73 N -0.48 1.00 0.49 2.54 2.04 -1.35 -1.29 117.51 120.46 1x40 h ILE 73 Ca -0.02 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1x40 h ILE 73 Cb 0.37 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1x40 h ILE 73 CO 0.04 0.10 -0.23 0.40 0.00 0.00 0.00 178.15 178.46 1x40 h ILE 74 N 0.56 0.00 0.00 -0.67 2.04 -0.72 -1.88 117.51 116.83 1x40 h ILE 74 Ca 0.22 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1x40 h ILE 74 Cb 0.08 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1x40 h ILE 74 CO -0.13 0.00 0.52 -0.07 0.00 0.00 0.00 178.15 178.47 1x40 h LEU 75 N -0.88 0.00 0.00 1.44 3.38 -0.63 0.25 115.31 118.87 1x40 h LEU 75 Ca -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1x40 h LEU 75 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1x40 h LEU 75 CO 0.11 0.00 -0.15 0.28 0.09 0.00 0.00 178.44 178.77 1x40 h SER 76 N 0.00 0.00 0.26 -0.43 0.02 -1.02 -3.35 113.55 109.03 1x40 h SER 76 Ca 0.00 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1x40 h SER 76 Cb 1.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 1x40 h SER 76 CO 0.00 0.60 -0.07 0.07 -1.14 0.00 0.00 176.83 176.28 1x40 h LYS 77 N -1.00 0.00 -6.57 3.45 5.09 -0.37 -3.43 116.57 113.74 1x40 h LYS 77 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 60.65 60.21 1x40 h LYS 77 Cb 0.18 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.54 1x40 h LYS 77 CO -0.00 0.07 0.70 -1.64 -2.09 0.00 0.00 179.45 176.49 1x40 s MET 78 N -4.29 4.34 -0.92 0.07 -1.94 0.76 -3.40 119.30 113.92 1x40 s MET 78 Ca -0.03 2.04 -0.02 0.00 -1.71 0.00 0.00 55.69 55.96 1x40 s MET 78 Cb 0.13 -3.25 -0.03 0.00 2.01 0.00 0.00 34.83 33.70 1x40 s MET 78 CO 0.56 -0.38 0.79 0.94 -0.01 0.00 0.00 175.02 176.91 1x40 n GLN 79 N 3.68 -3.66 -1.18 2.03 7.27 -1.26 -4.92 117.38 119.33 1x40 n GLN 79 Ca 0.10 0.71 -0.21 0.00 0.07 0.00 0.00 57.00 57.66 1x40 n GLN 79 Cb 0.43 -5.16 0.16 0.00 2.41 0.00 0.00 30.24 28.08 1x40 n GLN 79 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1x40 n ASP 80 N -2.83 4.10 -4.84 1.69 2.03 -1.22 -4.97 116.55 110.50 1x40 n ASP 80 Ca -0.15 -3.68 -0.32 0.00 0.52 0.00 0.00 54.79 51.16 1x40 n ASP 80 Cb 0.62 -0.80 -0.05 0.00 -0.72 0.00 0.00 41.12 40.16 1x40 n ASP 80 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1x40 s ILE 81 N -3.56 4.99 0.65 5.18 -4.36 -1.26 -5.10 121.20 117.73 1x40 s ILE 81 Ca 0.55 -0.48 -0.15 0.00 -0.26 0.00 0.00 60.65 60.31 1x40 s ILE 81 Cb 0.47 -3.38 -0.01 0.00 1.25 0.00 0.00 42.46 40.79 1x40 s ILE 81 CO 0.06 0.20 1.11 -2.16 0.24 0.00 0.00 174.94 174.40 1x40 s PRO 82 N -2.24 2.85 -0.13 0.37 0.04 -1.26 -4.94 135.00 129.69 1x40 s PRO 82 Ca 0.30 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.46 1x40 s PRO 82 Cb -0.12 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1x40 s PRO 82 CO 0.22 -1.22 1.83 0.42 0.04 0.00 0.00 177.00 178.29 1x40 s ILE 83 N -2.28 3.37 -0.61 0.56 1.01 -1.26 -4.94 121.20 117.05 1x40 s ILE 83 Ca 0.68 0.43 -0.25 0.00 0.00 0.00 0.00 60.65 61.50 1x40 s ILE 83 Cb -0.21 -3.36 0.04 0.00 0.01 0.00 0.00 42.46 38.95 1x40 s ILE 83 CO 0.40 -0.13 1.05 -0.31 0.00 0.00 0.00 174.94 175.95 1x40 s TYR 84 N 5.47 2.64 -0.04 3.97 1.51 -1.26 -4.90 117.35 124.75 1x40 s TYR 84 Ca 0.82 -0.07 -0.01 0.00 -1.01 0.00 0.00 57.07 56.79 1x40 s TYR 84 Cb -0.32 -4.30 -0.02 0.00 -0.11 0.00 0.00 41.96 37.21 1x40 s TYR 84 CO 0.33 -1.59 2.29 0.00 -1.11 0.00 0.00 175.55 175.48 1x40 n ALA 85 N 8.02 4.56 -0.04 3.71 0.00 -1.26 -3.92 120.51 131.59 1x40 n ALA 85 Ca 0.02 -0.54 -0.09 0.00 0.00 0.00 0.00 53.44 52.83 1x40 n ALA 85 Cb 0.48 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1x40 n ALA 85 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1x40 n SER 86 N 1.54 1.24 0.00 0.00 7.64 -1.26 -5.13 113.62 117.65 1x40 n SER 86 Ca 0.11 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1x40 n SER 86 Cb 0.58 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1x40 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x40 n GLY 87 N 2.38 -1.45 3.74 0.23 0.00 -1.25 -4.96 105.19 103.88 1x40 n GLY 87 Ca -0.15 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 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 1.69 0.28 1.61 0.04 -1.26 -5.08 135.00 132.28 1x40 s PRO 88 Ca 0.00 0.97 0.10 0.00 0.04 0.00 0.00 61.00 62.11 1x40 s PRO 88 Cb 0.00 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 1x40 s PRO 88 CO 0.00 -1.98 -0.15 -1.12 0.04 0.00 0.00 177.00 173.78 1x40 s SER 89 N -3.41 3.33 -0.28 6.66 0.01 -1.26 -5.13 113.70 113.61 1x40 s SER 89 Ca 0.62 -1.08 -0.00 0.00 1.31 0.00 0.00 55.95 56.80 1x40 s SER 89 Cb -0.18 -0.26 0.17 0.00 0.21 0.00 0.00 66.02 65.97 1x40 s SER 89 CO 0.57 -0.09 0.53 -0.55 0.41 0.00 0.00 173.24 174.10 1x40 s SER 90 N -3.48 -0.88 0.00 2.44 0.15 -1.26 -5.34 113.70 105.33 1x40 s SER 90 Ca 0.29 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.45 1x40 s SER 90 Cb -0.02 1.80 0.00 0.00 -1.71 0.00 0.00 66.02 66.09 1x40 s SER 90 CO 0.13 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.90