#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 -0.33 0.31 1.61 0.15 -1.26 -5.17 113.70 109.02 1x40 s SER 2 Ca 0.00 0.61 0.09 0.00 0.70 0.00 0.00 55.95 57.35 1x40 s SER 2 Cb 0.00 0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 64.90 1x40 s SER 2 CO 0.00 -0.14 0.03 -0.94 1.20 0.00 0.00 173.24 173.39 1x40 s SER 3 N 0.05 4.39 0.00 5.45 1.04 -1.26 -5.10 113.70 118.27 1x40 s SER 3 Ca -0.01 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1x40 s SER 3 Cb -0.03 -0.67 0.00 0.00 0.10 0.00 0.00 66.02 65.43 1x40 s SER 3 CO 0.01 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1x40 n GLY 4 N -0.96 1.43 3.39 7.32 0.00 -1.26 -5.15 105.19 109.97 1x40 n GLY 4 Ca -0.05 0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.94 -0.07 1.61 7.64 -1.26 -4.96 113.62 114.64 1x40 n SER 5 Ca 0.00 0.64 -0.11 0.00 1.01 0.00 0.00 58.87 60.41 1x40 n SER 5 Cb 0.00 -1.10 -0.04 0.00 -1.01 0.00 0.00 64.21 62.07 1x40 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x40 n SER 6 N 0.81 1.65 0.00 6.43 2.88 -1.26 -5.08 113.62 119.06 1x40 n SER 6 Ca 0.09 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 1x40 n SER 6 Cb 0.49 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1x40 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x40 n GLY 7 N 1.92 0.44 3.52 0.46 0.00 -1.26 -5.05 105.19 105.22 1x40 n GLY 7 Ca -0.18 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 2.24 -3.14 1.61 2.00 -1.26 -4.91 117.12 113.66 1x40 n MET 8 Ca 0.00 -2.74 -0.44 0.00 0.00 0.00 0.00 57.70 54.52 1x40 n MET 8 Cb 0.00 -3.58 -0.06 0.00 0.00 0.00 0.00 33.22 29.58 1x40 n MET 8 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1x40 s SER 9 N 5.43 6.22 0.18 7.83 0.01 -1.26 -5.02 113.70 127.09 1x40 s SER 9 Ca 0.62 -0.94 -0.08 0.00 1.31 0.00 0.00 55.95 56.85 1x40 s SER 9 Cb 0.03 -2.30 -0.01 0.00 0.21 0.00 0.00 66.02 63.94 1x40 s SER 9 CO 0.11 -0.93 0.28 -0.55 0.41 0.00 0.00 173.24 172.55 1x40 s SER 10 N 2.80 0.06 -0.17 2.44 0.15 -1.26 -5.15 113.70 112.56 1x40 s SER 10 Ca 0.15 -0.98 -0.11 0.00 0.70 0.00 0.00 55.95 55.71 1x40 s SER 10 Cb -0.19 0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 64.51 1x40 s SER 10 CO 0.12 -0.91 0.18 0.68 1.20 0.00 0.00 173.24 174.51 1x40 s VAL 11 N -4.01 5.39 -0.27 4.45 -7.23 -1.26 -5.07 120.40 112.40 1x40 s VAL 11 Ca 0.22 0.31 -0.26 0.00 -1.81 0.00 0.00 61.98 60.43 1x40 s VAL 11 Cb 0.03 -3.51 0.16 0.00 0.56 0.00 0.00 36.38 33.63 1x40 s VAL 11 CO 0.03 0.47 1.23 -0.55 -0.31 0.00 0.00 175.10 175.97 1x40 s SER 12 N 0.08 -0.23 1.03 4.85 0.15 -1.26 -5.17 113.70 113.15 1x40 s SER 12 Ca 0.12 0.40 -0.15 0.00 0.70 0.00 0.00 55.95 57.02 1x40 s SER 12 Cb -0.12 0.38 0.16 0.00 -1.71 0.00 0.00 66.02 64.73 1x40 s SER 12 CO 0.01 -0.11 0.24 -0.62 1.20 0.00 0.00 173.24 173.95 1x40 n GLU 13 N 1.52 -2.17 0.28 5.44 1.02 -1.26 -4.72 120.64 120.75 1x40 n GLU 13 Ca -0.10 -0.64 0.16 0.00 -0.02 0.00 0.00 57.16 56.57 1x40 n GLU 13 Cb 0.57 -1.50 0.81 0.00 -0.02 0.00 0.00 31.44 31.30 1x40 n GLU 13 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1x40 h VAL 14 N -2.58 0.09 -3.93 2.62 -1.51 -2.02 -3.42 116.25 105.51 1x40 h VAL 14 Ca -0.29 0.00 -0.53 0.00 -1.23 0.00 0.00 66.70 64.65 1x40 h VAL 14 Cb 0.88 0.67 0.20 0.00 -2.13 0.00 0.00 31.29 30.90 1x40 h VAL 14 CO 0.19 0.00 -0.00 -3.20 -1.23 0.00 0.00 177.57 173.33 1x40 n ASN 15 N -3.09 -0.19 -4.03 4.19 5.15 -1.26 -5.03 115.26 111.00 1x40 n ASN 15 Ca 0.00 0.47 -0.13 0.00 -0.60 0.00 0.00 54.58 54.32 1x40 n ASN 15 Cb 0.43 -1.40 -0.12 0.00 -0.53 0.00 0.00 39.78 38.16 1x40 n ASN 15 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1x40 s VAL 16 N -2.34 0.47 0.39 3.44 -7.23 -1.26 -5.01 120.40 108.87 1x40 s VAL 16 Ca 0.66 -0.90 -0.26 0.00 -1.81 0.00 0.00 61.98 59.67 1x40 s VAL 16 Cb -0.26 -0.52 -0.09 0.00 0.56 0.00 0.00 36.38 36.07 1x40 s VAL 16 CO 0.58 -0.30 1.21 -0.62 -0.31 0.00 0.00 175.10 175.66 1x40 s ASP 17 N -1.29 6.55 0.65 4.85 -1.08 -1.26 -2.21 116.67 122.88 1x40 s ASP 17 Ca -0.08 2.44 0.18 0.00 -0.52 0.00 0.00 52.55 54.56 1x40 s ASP 17 Cb -0.08 -2.62 0.92 0.00 -1.46 0.00 0.00 42.92 39.68 1x40 s ASP 17 CO 0.00 -0.66 1.51 -0.29 0.52 0.00 0.00 175.17 176.25 1x40 h ILE 18 N 2.48 0.03 0.33 4.11 6.09 -0.79 -0.93 117.51 128.83 1x40 h ILE 18 Ca -0.49 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 62.99 1x40 h ILE 18 Cb 1.23 0.35 0.00 0.00 0.47 0.00 0.00 36.82 38.88 1x40 h ILE 18 CO 0.63 0.00 -0.16 0.50 -3.07 0.00 0.00 178.15 176.05 1x40 h LYS 19 N 0.00 -0.43 -0.68 2.19 3.64 -1.89 -2.41 116.57 116.98 1x40 h LYS 19 Ca 0.05 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.59 1x40 h LYS 19 Cb 1.38 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.26 1x40 h LYS 19 CO -0.00 -0.29 0.46 0.22 -2.27 0.00 0.00 179.45 177.57 1x40 h ASP 20 N -0.80 0.33 -0.61 4.20 3.58 -1.56 0.21 116.42 121.77 1x40 h ASP 20 Ca -0.05 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.34 1x40 h ASP 20 Cb 0.34 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1x40 h ASP 20 CO 0.08 0.18 0.06 0.15 -2.88 0.00 0.00 179.24 176.83 1x40 h PHE 21 N 0.36 1.13 0.01 0.28 3.57 -1.45 -1.68 116.94 119.17 1x40 h PHE 21 Ca 0.33 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1x40 h PHE 21 Cb 0.79 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1x40 h PHE 21 CO -0.00 0.97 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.97 1x40 h LEU 22 N 0.98 -0.01 -1.11 0.59 3.38 -0.53 -3.32 115.31 115.29 1x40 h LEU 22 Ca 0.19 -0.78 0.20 0.00 0.09 0.00 0.00 57.88 57.58 1x40 h LEU 22 Cb 0.48 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 1x40 h LEU 22 CO 0.02 0.84 0.61 0.24 0.09 0.00 0.00 178.44 180.24 1x40 h MET 23 N -0.94 0.67 -0.98 1.13 2.86 -0.72 0.29 114.93 117.24 1x40 h MET 23 Ca -0.00 -0.04 0.19 0.00 -2.06 0.00 0.00 59.70 57.79 1x40 h MET 23 Cb 0.79 -0.15 -0.10 0.00 0.06 0.00 0.00 31.60 32.21 1x40 h MET 23 CO 0.00 0.44 0.61 1.03 1.06 0.00 0.00 176.91 180.06 1x40 h SER 24 N 0.69 0.71 -0.23 1.22 0.87 -1.39 0.10 113.55 115.51 1x40 h SER 24 Ca 0.56 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.20 1x40 h SER 24 Cb 0.98 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1x40 h SER 24 CO -0.34 0.27 0.00 2.30 -0.53 0.00 0.00 176.83 178.53 1x40 n ILE 25 N -4.69 0.40 -2.96 2.23 -5.35 0.24 -4.98 119.36 104.25 1x40 n ILE 25 Ca 0.22 -0.70 -0.12 0.00 -0.27 0.00 0.00 62.75 61.89 1x40 n ILE 25 Cb 0.59 1.02 0.06 0.00 -1.74 0.00 0.00 39.64 39.57 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 1.05 -2.29 -0.14 7.28 4.13 0.78 -4.95 115.26 121.11 1x40 n ASN 26 Ca 0.14 -0.40 0.05 0.00 1.68 0.00 0.00 54.58 56.05 1x40 n ASN 26 Cb 0.48 -3.52 0.07 0.00 -1.54 0.00 0.00 39.78 35.28 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 -3.08 1.61 0.24 3.41 7.99 -0.01 -4.76 117.00 122.41 1x40 n LEU 27 Ca -0.17 -2.22 0.11 0.00 -0.01 0.00 0.00 56.01 53.73 1x40 n LEU 27 Cb 0.60 -0.23 0.61 0.00 -0.11 0.00 0.00 43.42 44.30 1x40 n LEU 27 CO 0.40 0.52 0.96 1.05 -1.51 0.00 0.00 177.39 178.81 1x40 h GLU 28 N 0.00 0.00 -0.64 3.23 4.11 -1.89 -0.91 114.58 118.48 1x40 h GLU 28 Ca 0.00 0.00 0.17 0.00 0.07 0.00 0.00 59.36 59.60 1x40 h GLU 28 Cb 0.99 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1x40 h GLU 28 CO 0.00 0.00 0.45 -0.56 0.07 0.00 0.00 179.01 178.97 1x40 h GLN 29 N 0.00 0.08 0.00 1.06 3.07 -1.95 0.45 115.11 117.82 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 0.53 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.07 1x40 h GLN 29 CO 0.00 0.05 -0.62 0.66 0.09 0.00 0.00 178.83 179.01 1x40 n TYR 30 N -4.38 0.37 -0.33 0.06 4.01 -0.34 -4.28 117.16 112.27 1x40 n TYR 30 Ca 0.12 0.11 0.05 0.00 -0.16 0.00 0.00 57.90 58.02 1x40 n TYR 30 Cb 0.66 -0.53 0.12 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.93 -0.35 -0.08 7.72 7.94 0.16 0.87 117.00 131.34 1x40 n LEU 31 Ca 0.04 1.55 -0.07 0.00 -1.11 0.00 0.00 56.01 56.41 1x40 n LEU 31 Cb 0.41 -0.46 -0.00 0.00 0.53 0.00 0.00 43.42 43.90 1x40 n LEU 31 CO 0.36 -1.47 0.91 0.25 -1.11 0.00 0.00 177.39 176.32 1x40 h LEU 32 N 0.00 0.05 -0.61 -1.96 7.12 -1.75 0.55 115.31 118.71 1x40 h LEU 32 Ca 0.42 0.04 0.06 0.00 0.13 0.00 0.00 57.88 58.53 1x40 h LEU 32 Cb 0.64 0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 40.77 1x40 h LEU 32 CO -0.92 0.06 0.31 0.45 -0.13 0.00 0.00 178.44 178.21 1x40 h HIS 33 N 0.19 0.56 -0.05 1.25 3.86 0.21 -0.38 115.15 120.79 1x40 h HIS 33 Ca 0.13 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1x40 h HIS 33 Cb 0.13 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 1x40 h HIS 33 CO -0.16 0.25 0.01 0.74 0.86 0.00 0.00 177.93 179.63 1x40 h PHE 34 N 0.57 0.08 0.06 2.45 -1.00 -0.56 0.23 116.94 118.76 1x40 h PHE 34 Ca 0.28 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 61.07 1x40 h PHE 34 Cb 0.21 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.71 1x40 h PHE 34 CO -0.10 0.27 -0.26 0.45 -1.61 0.00 0.00 178.31 177.05 1x40 h HIS 35 N -0.13 -0.71 -0.61 -0.55 3.86 -0.53 0.15 115.15 116.63 1x40 h HIS 35 Ca 0.01 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1x40 h HIS 35 Cb 0.23 0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.97 1x40 h HIS 35 CO 0.00 -0.36 0.30 0.93 0.86 0.00 0.00 177.93 179.66 1x40 h GLU 36 N -0.44 0.85 -0.70 2.45 4.39 -1.07 -2.43 114.58 117.64 1x40 h GLU 36 Ca 0.05 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 1x40 h GLU 36 Cb 0.50 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1x40 h GLU 36 CO -0.19 0.65 0.18 1.03 -1.16 0.00 0.00 179.01 179.51 1x40 h SER 37 N 0.85 1.04 0.00 1.42 0.87 -0.18 -3.47 113.55 114.09 1x40 h SER 37 Ca 0.21 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x40 h SER 37 Cb 0.07 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 1x40 h SER 37 CO -0.03 1.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.88 1x40 n GLY 38 N -0.71 1.00 2.99 5.77 0.00 0.29 -5.08 105.19 109.45 1x40 n GLY 38 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.40 2.28 -0.22 1.61 0.08 0.15 -4.98 117.98 115.50 1x40 s PHE 39 Ca 0.00 -1.45 0.05 0.00 0.12 0.00 0.00 56.93 55.66 1x40 s PHE 39 Cb 0.00 -1.60 -0.17 0.00 -0.57 0.00 0.00 43.02 40.68 1x40 s PHE 39 CO 0.00 -0.71 -0.13 0.25 -0.10 0.00 0.00 175.22 174.52 1x40 n THR 40 N 4.73 1.29 -4.51 0.64 -2.24 -1.26 -3.65 114.28 109.27 1x40 n THR 40 Ca -0.15 -0.57 -0.24 0.00 -2.27 0.00 0.00 64.05 60.82 1x40 n THR 40 Cb 0.48 -1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 67.50 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 -2.45 1.19 0.32 4.28 -4.23 -1.26 -0.16 115.64 113.33 1x40 s THR 41 Ca -0.25 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.31 1x40 s THR 41 Cb 0.07 -2.70 0.11 0.00 1.34 0.00 0.00 72.50 71.32 1x40 s THR 41 CO 0.58 0.00 1.80 0.58 -0.54 0.00 0.00 174.62 177.04 1x40 h VAL 42 N 1.96 1.23 0.21 2.29 2.07 -1.72 -3.14 116.25 119.15 1x40 h VAL 42 Ca -0.40 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.06 1x40 h VAL 42 Cb 1.25 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 1x40 h VAL 42 CO 0.69 0.34 -0.33 0.50 0.02 0.00 0.00 177.57 178.80 1x40 h LYS 43 N 0.36 -0.58 -0.17 1.57 3.64 -1.97 -0.21 116.57 119.21 1x40 h LYS 43 Ca 0.06 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1x40 h LYS 43 Cb 0.54 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1x40 h LYS 43 CO 0.04 -0.39 0.54 0.38 -2.27 0.00 0.00 179.45 177.75 1x40 h ASP 44 N -0.61 0.00 -0.28 4.20 3.04 -1.95 0.67 116.42 121.49 1x40 h ASP 44 Ca 0.01 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.74 1x40 h ASP 44 Cb 0.60 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.85 1x40 h ASP 44 CO -0.13 0.00 0.08 0.00 -2.04 0.00 0.00 179.24 177.14 1x40 h ALA 46 N 2.47 0.73 0.00 0.00 0.00 0.29 -3.25 119.26 119.49 1x40 h ALA 46 Ca 0.07 -0.60 -0.19 0.00 0.00 0.00 0.00 54.91 54.20 1x40 h ALA 46 Cb 1.29 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1x40 h ALA 46 CO 0.27 0.82 -1.83 0.00 0.00 0.00 0.00 179.25 178.51 1x40 n ALA 47 N -2.33 2.00 -1.62 0.00 0.00 -1.26 -4.95 120.51 112.34 1x40 n ALA 47 Ca 0.00 -0.77 -0.46 0.00 0.00 0.00 0.00 53.44 52.21 1x40 n ALA 47 Cb 0.71 -0.68 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.71 1.19 -4.32 0.00 5.41 -1.23 -4.99 119.36 112.72 1x40 n ILE 48 Ca -0.15 -0.30 -0.17 0.00 1.00 0.00 0.00 62.75 63.13 1x40 n ILE 48 Cb 0.88 -1.15 -0.10 0.00 -0.71 0.00 0.00 39.64 38.56 1x40 n ILE 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1x40 s ASN 49 N -0.02 2.25 0.32 4.38 2.20 -1.26 -5.01 114.94 117.79 1x40 s ASN 49 Ca 0.67 -1.05 0.07 0.00 -0.94 0.00 0.00 52.86 51.62 1x40 s ASN 49 Cb -0.73 -0.08 0.89 0.00 -2.00 0.00 0.00 41.25 39.33 1x40 s ASN 49 CO 0.53 -0.27 1.63 0.44 -2.94 0.00 0.00 177.10 176.49 1x40 h ASP 50 N 2.61 0.08 -0.76 3.54 5.19 -1.96 0.99 116.42 126.11 1x40 h ASP 50 Ca -0.38 0.22 0.12 0.00 -0.62 0.00 0.00 57.03 56.38 1x40 h ASP 50 Cb 1.21 0.28 -0.05 0.00 0.18 0.00 0.00 39.33 40.95 1x40 h ASP 50 CO 0.63 -0.23 0.50 0.28 -3.12 0.00 0.00 179.24 177.31 1x40 h SER 51 N 0.17 0.51 -0.02 6.45 0.02 -1.99 -2.03 113.55 116.66 1x40 h SER 51 Ca 0.64 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.60 1x40 h SER 51 Cb 1.42 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1x40 h SER 51 CO -0.71 0.29 -0.03 0.25 -1.14 0.00 0.00 176.83 175.48 1x40 h LEU 52 N 0.56 0.06 -0.42 5.07 5.85 0.62 -2.96 115.31 124.08 1x40 h LEU 52 Ca 0.37 -0.56 0.08 0.00 0.84 0.00 0.00 57.88 58.61 1x40 h LEU 52 Cb 0.65 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.57 1x40 h LEU 52 CO -0.13 0.61 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.22 1x40 h LEU 53 N -0.49 -0.98 -0.07 2.25 -0.00 -0.88 0.93 115.31 116.07 1x40 h LEU 53 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1x40 h LEU 53 Cb 0.60 0.48 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1x40 h LEU 53 CO 0.01 -0.30 0.00 0.00 -0.00 0.00 0.00 178.44 178.15 1x40 n GLN 54 N -5.41 0.01 -0.08 1.13 -0.00 -0.92 -2.53 117.38 109.58 1x40 n GLN 54 Ca 0.02 0.37 -0.23 0.00 -0.00 0.00 0.00 57.00 57.16 1x40 n GLN 54 Cb 0.33 -1.53 -0.12 0.00 -0.00 0.00 0.00 30.24 28.92 1x40 n GLN 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1x40 n LYS 55 N -1.55 0.63 0.30 2.61 0.00 0.28 -4.11 118.16 116.32 1x40 n LYS 55 Ca 0.02 0.41 0.16 0.00 0.00 0.00 0.00 58.31 58.89 1x40 n LYS 55 Cb 0.10 -1.67 0.83 0.00 0.00 0.00 0.00 35.03 34.28 1x40 n LYS 55 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.40 176.56 1x40 h ILE 56 N -0.65 0.00 0.00 3.15 3.07 -0.08 -3.44 117.51 119.56 1x40 h ILE 56 Ca -0.45 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.96 1x40 h ILE 56 Cb 1.60 0.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 1x40 h ILE 56 CO -0.16 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.55 1x40 n GLY 57 N -1.20 3.50 2.23 0.16 0.00 -1.19 -4.98 105.19 103.71 1x40 n GLY 57 Ca -0.02 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.08 -4.79 119.36 118.46 1x40 n ILE 58 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 1x40 n ILE 58 Cb 0.00 -0.32 -0.05 0.00 -0.71 0.00 0.00 39.64 38.56 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 7.47 -0.41 -4.02 4.38 0.87 -1.89 -3.39 113.55 116.56 1x40 h SER 59 Ca -0.04 -0.07 -0.51 0.00 -1.23 0.00 0.00 61.79 59.95 1x40 h SER 59 Cb 0.85 0.11 0.07 0.00 -0.44 0.00 0.00 62.40 62.99 1x40 h SER 59 CO 0.87 0.04 0.47 -2.16 -0.53 0.00 0.00 176.83 175.52 1x40 s PRO 60 N -3.46 3.65 -0.17 2.24 0.04 -1.26 -4.99 135.00 131.06 1x40 s PRO 60 Ca -0.09 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 1x40 s PRO 60 Cb 0.01 -2.30 -0.23 0.00 0.04 0.00 0.00 34.50 32.02 1x40 s PRO 60 CO 0.31 -0.63 0.24 2.41 0.04 0.00 0.00 177.00 179.37 1x40 n THR 61 N -0.70 1.67 -0.38 1.26 -1.04 -1.26 -4.10 114.28 109.72 1x40 n THR 61 Ca 0.08 -0.43 0.33 0.00 -2.04 0.00 0.00 64.05 62.00 1x40 n THR 61 Cb 0.49 -1.82 0.57 0.00 -1.82 0.00 0.00 70.33 67.75 1x40 n THR 61 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x40 n GLY 62 N 1.79 -0.71 0.15 3.41 0.00 -1.26 0.15 105.19 108.72 1x40 n GLY 62 Ca -0.34 0.68 -0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 0.64 -0.36 1.61 -0.00 -2.00 -3.18 115.15 111.87 1x40 h HIS 63 Ca 0.76 -0.33 0.04 0.00 -0.00 0.00 0.00 60.37 60.85 1x40 h HIS 63 Cb 2.34 -0.08 -0.07 0.00 -0.00 0.00 0.00 27.41 29.60 1x40 h HIS 63 CO -0.01 1.13 -0.45 0.00 -0.00 0.00 0.00 177.93 178.61 1x40 h ARG 64 N -0.03 -0.29 -0.67 2.45 3.08 0.13 0.35 114.38 119.42 1x40 h ARG 64 Ca -0.06 0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.16 1x40 h ARG 64 Cb 1.27 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.35 1x40 h ARG 64 CO 0.12 -0.19 0.46 0.00 -1.07 0.00 0.00 179.97 179.29 1x40 h ARG 65 N -0.30 0.20 -0.03 0.04 3.08 -1.62 -1.32 114.38 114.43 1x40 h ARG 65 Ca 0.06 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1x40 h ARG 65 Cb 0.46 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1x40 h ARG 65 CO -0.49 0.13 -0.01 -0.09 -1.07 0.00 0.00 179.97 178.44 1x40 h ARG 66 N 0.21 0.06 0.87 0.04 1.12 -0.44 0.12 114.38 116.36 1x40 h ARG 66 Ca 0.32 -0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 59.13 1x40 h ARG 66 Cb 0.98 -0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.94 1x40 h ARG 66 CO -0.06 0.43 -0.42 0.82 -3.11 0.00 0.00 179.97 177.63 1x40 h ILE 67 N -0.32 0.14 -0.21 1.20 2.04 0.41 -2.89 117.51 117.88 1x40 h ILE 67 Ca 0.01 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1x40 h ILE 67 Cb 0.41 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1x40 h ILE 67 CO 0.00 0.00 0.07 -0.07 0.00 0.00 0.00 178.15 178.16 1x40 h LEU 68 N -1.18 0.08 -1.00 1.44 3.38 -1.38 -1.56 115.31 115.09 1x40 h LEU 68 Ca -0.12 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.06 1x40 h LEU 68 Cb 0.90 0.01 -0.18 0.00 0.09 0.00 0.00 40.66 41.48 1x40 h LEU 68 CO 0.20 0.08 -0.29 0.50 0.09 0.00 0.00 178.44 179.02 1x40 h LYS 69 N 0.17 -0.00 -0.12 1.13 1.63 -0.71 0.75 116.57 119.42 1x40 h LYS 69 Ca 0.09 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.72 1x40 h LYS 69 Cb 0.06 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1x40 h LYS 69 CO -0.09 -0.00 -0.65 1.96 -3.45 0.00 0.00 179.45 177.21 1x40 h GLN 70 N -0.00 0.46 -0.92 1.90 1.08 -1.27 -3.13 115.11 113.23 1x40 h GLN 70 Ca 0.44 -0.33 0.10 0.00 -1.45 0.00 0.00 58.65 57.41 1x40 h GLN 70 Cb 0.69 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 28.10 1x40 h GLN 70 CO -1.02 0.96 0.56 -0.07 -0.95 0.00 0.00 178.83 178.31 1x40 h LEU 71 N 0.33 0.83 0.26 1.46 3.38 0.14 0.24 115.31 121.95 1x40 h LEU 71 Ca -0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1x40 h LEU 71 Cb 1.21 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1x40 h LEU 71 CO 0.12 0.47 -0.12 1.56 0.09 0.00 0.00 178.44 180.56 1x40 h GLN 72 N 0.93 -0.33 -0.74 1.13 4.20 -0.96 -1.18 115.11 118.16 1x40 h GLN 72 Ca 0.44 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.21 1x40 h GLN 72 Cb 0.37 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.18 1x40 h GLN 72 CO -0.24 -0.04 0.46 0.82 -0.67 0.00 0.00 178.83 179.16 1x40 h ILE 73 N -0.63 1.09 0.43 2.54 2.04 -1.42 -1.91 117.51 119.64 1x40 h ILE 73 Ca -0.04 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1x40 h ILE 73 Cb 0.45 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1x40 h ILE 73 CO 0.06 0.16 -0.21 0.40 0.00 0.00 0.00 178.15 178.57 1x40 h ILE 74 N 0.89 0.00 -0.90 -0.67 2.04 -0.51 -3.08 117.51 115.27 1x40 h ILE 74 Ca 0.30 -0.03 0.23 0.00 1.00 0.00 0.00 64.86 66.36 1x40 h ILE 74 Cb 0.04 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 35.96 1x40 h ILE 74 CO -0.12 0.00 0.03 -0.07 0.00 0.00 0.00 178.15 177.99 1x40 h LEU 75 N -0.61 -0.41 -1.31 1.44 3.38 -1.19 0.83 115.31 117.45 1x40 h LEU 75 Ca -0.06 0.25 0.28 0.00 0.09 0.00 0.00 57.88 58.43 1x40 h LEU 75 Cb 0.44 0.42 -0.10 0.00 0.09 0.00 0.00 40.66 41.51 1x40 h LEU 75 CO 0.10 -0.28 0.67 0.28 0.09 0.00 0.00 178.44 179.30 1x40 h SER 76 N 0.06 0.47 0.47 -0.43 0.02 -1.28 -1.16 113.55 111.70 1x40 h SER 76 Ca 0.53 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.55 1x40 h SER 76 Cb 1.03 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1x40 h SER 76 CO -0.82 0.06 -0.23 0.11 -1.14 0.00 0.00 176.83 174.82 1x40 h LYS 77 N 0.40 -0.61 -6.06 3.45 1.57 0.77 -3.42 116.57 112.66 1x40 h LYS 77 Ca 0.62 0.04 -0.66 0.00 -1.87 0.00 0.00 60.65 58.78 1x40 h LYS 77 Cb 1.55 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.99 1x40 h LYS 77 CO -0.34 -0.31 1.31 -1.33 -0.57 0.00 0.00 179.45 178.21 1x40 n MET 78 N -5.27 1.38 -4.14 3.15 2.81 -0.44 -4.93 117.12 109.68 1x40 n MET 78 Ca -0.11 0.42 -0.11 0.00 -1.81 0.00 0.00 57.70 56.09 1x40 n MET 78 Cb 0.31 -2.53 -0.10 0.00 -0.71 0.00 0.00 33.22 30.18 1x40 n MET 78 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1x40 s GLN 79 N 5.54 0.75 -0.44 0.03 -1.52 -1.26 -4.97 119.66 117.80 1x40 s GLN 79 Ca 1.04 -1.17 0.04 0.00 -1.95 0.00 0.00 55.36 53.32 1x40 s GLN 79 Cb -0.80 -0.25 0.49 0.00 -0.22 0.00 0.00 33.01 32.24 1x40 s GLN 79 CO 0.50 0.01 1.63 -0.40 -0.25 0.00 0.00 175.29 176.78 1x40 n ASP 80 N 0.39 5.06 -4.68 5.90 5.75 -1.26 -5.00 116.55 122.72 1x40 n ASP 80 Ca -0.15 -3.76 -0.31 0.00 -0.01 0.00 0.00 54.79 50.55 1x40 n ASP 80 Cb 0.59 -0.69 -0.08 0.00 -1.03 0.00 0.00 41.12 39.90 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 -4.17 4.03 0.89 2.12 -4.36 -1.26 -5.12 121.20 113.33 1x40 s ILE 81 Ca 0.55 -0.83 -0.11 0.00 -0.26 0.00 0.00 60.65 59.99 1x40 s ILE 81 Cb 0.45 -2.86 0.12 0.00 1.25 0.00 0.00 42.46 41.42 1x40 s ILE 81 CO 0.02 0.24 1.09 -2.16 0.24 0.00 0.00 174.94 174.37 1x40 s PRO 82 N -1.95 1.32 -0.19 0.37 0.04 -1.26 -5.01 135.00 128.32 1x40 s PRO 82 Ca 0.23 0.85 -0.20 0.00 0.04 0.00 0.00 61.00 61.91 1x40 s PRO 82 Cb -0.12 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 1x40 s PRO 82 CO 0.14 -2.20 0.60 0.42 0.04 0.00 0.00 177.00 176.00 1x40 s ILE 83 N -2.93 5.05 -0.42 0.56 1.09 -1.26 -4.96 121.20 118.34 1x40 s ILE 83 Ca 0.63 1.13 -0.03 0.00 -1.10 0.00 0.00 60.65 61.29 1x40 s ILE 83 Cb -0.18 -3.92 0.15 0.00 -1.06 0.00 0.00 42.46 37.45 1x40 s ILE 83 CO 0.57 0.15 2.41 -1.22 -0.10 0.00 0.00 174.94 176.75 1x40 n TYR 84 N 4.84 1.69 -3.85 3.97 4.01 -1.26 -4.88 117.16 121.68 1x40 n TYR 84 Ca -0.02 -2.02 -0.01 0.00 -0.16 0.00 0.00 57.90 55.68 1x40 n TYR 84 Cb 0.50 -1.21 0.01 0.00 -0.31 0.00 0.00 39.34 38.34 1x40 n TYR 84 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x40 n ALA 85 N 0.54 -2.31 -2.83 -0.72 0.00 -1.26 -5.10 120.51 108.82 1x40 n ALA 85 Ca 0.42 -0.74 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 1x40 n ALA 85 Cb 0.56 0.34 -0.03 0.00 0.00 0.00 0.00 19.45 20.32 1x40 n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x40 s SER 86 N -2.99 6.31 0.50 0.00 0.15 -1.26 -5.02 113.70 111.39 1x40 s SER 86 Ca 0.20 -1.25 -0.23 0.00 0.70 0.00 0.00 55.95 55.37 1x40 s SER 86 Cb -0.02 -2.44 -0.06 0.00 -1.71 0.00 0.00 66.02 61.79 1x40 s SER 86 CO 0.03 -1.38 1.29 -0.83 1.20 0.00 0.00 173.24 173.55 1x40 s GLY 87 N 3.78 2.86 0.36 9.45 0.00 -1.26 -4.93 107.32 117.58 1x40 s GLY 87 Ca 0.28 1.20 0.15 0.00 0.00 0.00 0.00 44.72 46.34 1x40 s GLY 87 CO 0.04 1.71 1.76 -0.56 0.00 0.00 0.00 173.10 176.05 1x40 h PRO 88 N 1.82 0.00 -4.02 2.90 0.13 -2.06 -3.38 132.00 127.39 1x40 h PRO 88 Ca -0.50 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 63.98 1x40 h PRO 88 Cb 1.28 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.00 1x40 h PRO 88 CO 0.59 0.42 -0.69 0.45 -0.23 0.00 0.00 178.00 178.54 1x40 s SER 89 N -6.73 4.48 -0.37 1.44 0.15 -1.26 -5.05 113.70 106.36 1x40 s SER 89 Ca -0.02 -2.46 0.02 0.00 0.70 0.00 0.00 55.95 54.19 1x40 s SER 89 Cb 0.13 -1.54 0.11 0.00 -1.71 0.00 0.00 66.02 63.01 1x40 s SER 89 CO 0.72 -0.32 0.12 -0.94 1.20 0.00 0.00 173.24 174.02 1x40 s SER 90 N 0.48 4.30 0.00 5.45 1.04 -1.26 -5.24 113.70 118.47 1x40 s SER 90 Ca 0.14 -2.19 0.18 0.00 0.48 0.00 0.00 55.95 54.56 1x40 s SER 90 Cb -0.22 -1.30 0.14 0.00 0.10 0.00 0.00 66.02 64.74 1x40 s SER 90 CO -0.06 -0.35 1.06 0.61 0.98 0.00 0.00 173.24 175.48