#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 4.29 -0.17 1.61 0.15 -1.26 -5.11 113.70 113.21 1x40 s SER 2 Ca 0.00 -0.15 -0.10 0.00 0.70 0.00 0.00 55.95 56.40 1x40 s SER 2 Cb 0.00 -1.15 -0.05 0.00 -1.71 0.00 0.00 66.02 63.11 1x40 s SER 2 CO 0.00 0.31 0.16 -0.94 1.20 0.00 0.00 173.24 173.97 1x40 s SER 3 N -0.50 6.30 0.00 5.45 1.04 -1.26 -5.06 113.70 119.67 1x40 s SER 3 Ca 0.07 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1x40 s SER 3 Cb -0.12 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 63.90 1x40 s SER 3 CO 0.02 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.08 1x40 n GLY 4 N 3.08 2.05 3.98 7.32 0.00 -1.26 -5.18 105.19 115.18 1x40 n GLY 4 Ca -0.16 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 1x40 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x40 s SER 5 N 0.00 5.65 -0.20 1.61 1.04 -1.26 -5.12 113.70 115.42 1x40 s SER 5 Ca 0.00 -0.12 -0.29 0.00 0.48 0.00 0.00 55.95 56.02 1x40 s SER 5 Cb 0.00 -1.01 0.13 0.00 0.10 0.00 0.00 66.02 65.24 1x40 s SER 5 CO 0.00 -0.78 1.04 -0.55 0.98 0.00 0.00 173.24 173.92 1x40 s SER 6 N -4.31 -0.36 0.00 7.02 0.15 -1.26 -5.16 113.70 109.79 1x40 s SER 6 Ca 0.52 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1x40 s SER 6 Cb -0.10 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1x40 s SER 6 CO 0.35 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1x40 n GLY 7 N 1.05 0.03 3.54 9.45 0.00 -1.26 -5.08 105.19 112.92 1x40 n GLY 7 Ca -0.10 0.73 -0.23 0.00 0.00 0.00 0.00 46.02 46.42 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 0.55 -4.15 1.61 0.00 -1.26 -4.88 117.12 108.99 1x40 n MET 8 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 57.70 56.98 1x40 n MET 8 Cb 0.00 -3.02 -0.16 0.00 0.00 0.00 0.00 33.22 30.03 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 9.40 2.69 -0.53 7.83 0.15 -1.26 -5.01 113.70 126.95 1x40 s SER 9 Ca 1.04 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 57.18 1x40 s SER 9 Cb -0.35 -1.19 0.32 0.00 -1.71 0.00 0.00 66.02 63.09 1x40 s SER 9 CO 0.24 -0.03 2.09 -1.54 1.20 0.00 0.00 173.24 175.20 1x40 n SER 10 N 4.61 7.14 -4.70 5.45 3.41 -1.26 -4.99 113.62 123.28 1x40 n SER 10 Ca -0.18 -3.48 -0.44 0.00 -0.26 0.00 0.00 58.87 54.52 1x40 n SER 10 Cb 0.50 -1.04 -0.03 0.00 -0.26 0.00 0.00 64.21 63.38 1x40 n SER 10 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1x40 n VAL 11 N -0.27 0.15 -1.57 -3.33 3.14 -1.26 -4.84 118.33 110.35 1x40 n VAL 11 Ca 0.49 -0.04 -0.46 0.00 -2.96 0.00 0.00 64.34 61.37 1x40 n VAL 11 Cb 0.59 -1.80 -0.05 0.00 -1.06 0.00 0.00 33.84 31.52 1x40 n VAL 11 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1x40 n SER 12 N 3.50 2.99 -4.10 6.55 2.88 -1.26 -4.91 113.62 119.27 1x40 n SER 12 Ca 0.15 0.43 -0.36 0.00 -1.33 0.00 0.00 58.87 57.76 1x40 n SER 12 Cb 0.33 -1.43 0.08 0.00 -0.75 0.00 0.00 64.21 62.44 1x40 n SER 12 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x40 n GLU 13 N 8.18 -0.55 -0.01 -1.46 -0.58 -1.26 -4.93 120.64 120.03 1x40 n GLU 13 Ca 0.32 -0.15 0.09 0.00 -0.42 0.00 0.00 57.16 56.99 1x40 n GLU 13 Cb 0.35 -1.26 -0.13 0.00 -0.57 0.00 0.00 31.44 29.83 1x40 n GLU 13 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1x40 n VAL 14 N -3.74 0.00 -1.59 2.62 3.14 -1.26 -5.00 118.33 112.50 1x40 n VAL 14 Ca -0.01 -0.38 -0.38 0.00 -2.96 0.00 0.00 64.34 60.61 1x40 n VAL 14 Cb 0.69 0.13 0.05 0.00 -1.06 0.00 0.00 33.84 33.65 1x40 n VAL 14 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1x40 n ASN 15 N -2.08 0.45 -4.02 6.55 5.15 -1.26 -5.02 115.26 115.03 1x40 n ASN 15 Ca -0.03 0.81 -0.16 0.00 -0.60 0.00 0.00 54.58 54.60 1x40 n ASN 15 Cb 0.44 -1.34 -0.13 0.00 -0.53 0.00 0.00 39.78 38.22 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 -1.54 0.56 0.22 3.44 -7.23 -1.26 -5.07 120.40 109.52 1x40 s VAL 16 Ca 0.74 -0.61 -0.31 0.00 -1.81 0.00 0.00 61.98 59.99 1x40 s VAL 16 Cb -0.43 -0.53 -0.10 0.00 0.56 0.00 0.00 36.38 35.88 1x40 s VAL 16 CO 0.49 -0.06 1.53 -0.62 -0.31 0.00 0.00 175.10 176.14 1x40 s ASP 17 N -0.73 6.56 0.57 4.85 -1.08 -1.26 -2.55 116.67 123.03 1x40 s ASP 17 Ca -0.02 2.71 0.41 0.00 -0.52 0.00 0.00 52.55 55.13 1x40 s ASP 17 Cb -0.05 -2.61 1.40 0.00 -1.46 0.00 0.00 42.92 40.19 1x40 s ASP 17 CO 0.00 -0.80 1.44 0.00 0.52 0.00 0.00 175.17 176.33 1x40 n ILE 18 N 3.03 0.00 0.04 4.11 0.13 0.10 0.10 119.36 126.86 1x40 n ILE 18 Ca 0.10 1.38 -0.12 0.00 -1.10 0.00 0.00 62.75 63.01 1x40 n ILE 18 Cb 0.39 -2.36 -0.08 0.00 -0.84 0.00 0.00 39.64 36.75 1x40 n ILE 18 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 1x40 h LYS 19 N 0.00 -0.04 -0.54 9.51 3.64 -1.88 -1.45 116.57 125.82 1x40 h LYS 19 Ca 0.76 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 60.11 1x40 h LYS 19 Cb 3.42 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 35.22 1x40 h LYS 19 CO -0.01 0.14 0.19 -0.44 -2.27 0.00 0.00 179.45 177.06 1x40 h ASP 20 N -0.20 0.72 -0.50 4.20 3.32 0.31 0.19 116.42 124.46 1x40 h ASP 20 Ca -0.00 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1x40 h ASP 20 Cb 0.19 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1x40 h ASP 20 CO 0.01 0.67 0.16 0.15 -1.72 0.00 0.00 179.24 178.51 1x40 h PHE 21 N 0.77 0.79 0.15 4.55 3.57 -1.28 -1.50 116.94 123.99 1x40 h PHE 21 Ca 0.18 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1x40 h PHE 21 Cb 0.19 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1x40 h PHE 21 CO 0.01 0.69 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.64 1x40 h LEU 22 N 0.67 -0.17 -1.93 0.59 3.38 -0.93 -3.23 115.31 113.70 1x40 h LEU 22 Ca 0.16 -0.34 0.22 0.00 0.09 0.00 0.00 57.88 58.01 1x40 h LEU 22 Cb 0.26 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1x40 h LEU 22 CO -0.01 0.42 0.62 0.24 0.09 0.00 0.00 178.44 179.80 1x40 h MET 23 N -0.92 0.00 -0.36 1.13 2.86 -0.68 0.42 114.93 117.37 1x40 h MET 23 Ca -0.02 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 1x40 h MET 23 Cb 0.49 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1x40 h MET 23 CO 0.03 0.00 -0.09 1.03 1.06 0.00 0.00 176.91 178.94 1x40 h SER 24 N 0.00 0.60 -0.36 1.22 0.87 -1.28 -2.67 113.55 111.92 1x40 h SER 24 Ca 0.36 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1x40 h SER 24 Cb 1.59 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 1x40 h SER 24 CO -0.00 0.73 0.00 2.30 -0.53 0.00 0.00 176.83 179.33 1x40 n ILE 25 N -4.20 0.57 -2.40 2.23 -5.35 0.12 -4.95 119.36 105.39 1x40 n ILE 25 Ca 0.01 -0.78 -0.11 0.00 -0.27 0.00 0.00 62.75 61.60 1x40 n ILE 25 Cb 0.32 0.90 0.01 0.00 -1.74 0.00 0.00 39.64 39.13 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 1.23 -3.61 -1.05 7.28 5.15 0.20 -4.92 115.26 119.54 1x40 n ASN 26 Ca 0.17 -0.07 -0.00 0.00 -0.60 0.00 0.00 54.58 54.08 1x40 n ASN 26 Cb 0.54 -2.70 0.21 0.00 -0.53 0.00 0.00 39.78 37.30 1x40 n ASN 26 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1x40 n LEU 27 N -1.78 4.01 0.20 1.20 7.99 -0.21 -4.64 117.00 123.77 1x40 n LEU 27 Ca -0.09 -3.53 0.14 0.00 -0.01 0.00 0.00 56.01 52.51 1x40 n LEU 27 Cb 0.58 -0.60 0.71 0.00 -0.11 0.00 0.00 43.42 43.99 1x40 n LEU 27 CO 0.18 1.07 0.92 1.05 -1.51 0.00 0.00 177.39 179.10 1x40 h GLU 28 N 1.17 0.00 0.00 3.23 -0.00 -1.90 -1.23 114.58 115.85 1x40 h GLU 28 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.52 1x40 h GLU 28 Cb 1.59 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.34 1x40 h GLU 28 CO 0.33 0.00 0.00 -0.56 -0.00 0.00 0.00 179.01 178.78 1x40 h GLN 29 N 0.00 0.00 -0.02 1.06 3.07 -1.95 -1.31 115.11 115.96 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 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1x40 h GLN 29 CO 0.00 0.00 -0.14 0.66 0.09 0.00 0.00 178.83 179.44 1x40 n TYR 30 N -2.47 0.00 -0.18 0.06 4.01 -0.46 -4.57 117.16 113.54 1x40 n TYR 30 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 1x40 n TYR 30 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.20 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 3.28 -1.17 -0.48 7.72 5.85 -1.33 0.11 115.31 129.29 1x40 h LEU 31 Ca 0.00 0.22 0.09 0.00 0.84 0.00 0.00 57.88 59.03 1x40 h LEU 31 Cb 0.76 0.57 -0.07 0.00 0.37 0.00 0.00 40.66 42.29 1x40 h LEU 31 CO 0.00 -0.31 0.05 0.25 -0.34 0.00 0.00 178.44 178.09 1x40 h LEU 32 N -0.19 -0.09 -0.72 2.25 7.12 -1.81 0.17 115.31 122.03 1x40 h LEU 32 Ca 0.21 0.10 0.08 0.00 0.13 0.00 0.00 57.88 58.40 1x40 h LEU 32 Cb 0.55 0.16 -0.06 0.00 -0.53 0.00 0.00 40.66 40.77 1x40 h LEU 32 CO -0.64 -0.02 0.39 0.45 -0.13 0.00 0.00 178.44 178.49 1x40 h HIS 33 N 0.18 0.71 -0.14 1.25 3.86 -1.35 -0.18 115.15 119.48 1x40 h HIS 33 Ca 0.24 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.47 1x40 h HIS 33 Cb 0.35 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1x40 h HIS 33 CO -0.26 0.31 0.03 0.74 0.86 0.00 0.00 177.93 179.61 1x40 h PHE 34 N 0.69 0.23 0.25 2.45 0.04 0.08 -1.98 116.94 118.71 1x40 h PHE 34 Ca 0.34 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.07 1x40 h PHE 34 Cb 0.27 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1x40 h PHE 34 CO -0.08 0.37 -0.14 0.45 -0.60 0.00 0.00 178.31 178.31 1x40 h HIS 35 N 0.02 -0.37 -1.23 -0.55 3.86 -0.51 0.33 115.15 116.70 1x40 h HIS 35 Ca 0.04 -0.01 0.36 0.00 -1.16 0.00 0.00 60.37 59.61 1x40 h HIS 35 Cb 0.25 0.13 -0.10 0.00 1.06 0.00 0.00 27.41 28.76 1x40 h HIS 35 CO 0.01 -0.22 0.82 0.93 0.86 0.00 0.00 177.93 180.33 1x40 h GLU 36 N -0.36 0.18 -0.17 2.45 5.08 -1.13 1.11 114.58 121.73 1x40 h GLU 36 Ca -0.03 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1x40 h GLU 36 Cb 0.29 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1x40 h GLU 36 CO 0.04 0.12 -0.32 1.03 -1.00 0.00 0.00 179.01 178.88 1x40 h SER 37 N 0.18 0.35 0.00 1.42 0.87 -1.00 -3.47 113.55 111.91 1x40 h SER 37 Ca 0.70 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.13 1x40 h SER 37 Cb 2.19 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 64.05 1x40 h SER 37 CO -0.28 0.66 0.00 0.61 -0.53 0.00 0.00 176.83 177.28 1x40 n GLY 38 N -0.33 1.52 2.96 5.77 0.00 0.38 -5.09 105.19 110.40 1x40 n GLY 38 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 2.39 -0.25 1.61 0.08 0.01 -4.97 117.98 114.85 1x40 s PHE 39 Ca 0.00 -1.68 0.04 0.00 0.12 0.00 0.00 56.93 55.41 1x40 s PHE 39 Cb 0.00 -1.59 -0.18 0.00 -0.57 0.00 0.00 43.02 40.68 1x40 s PHE 39 CO 0.00 -0.76 -0.19 0.25 -0.10 0.00 0.00 175.22 174.42 1x40 n THR 40 N 4.68 1.45 -4.52 0.64 -2.24 -1.26 -3.60 114.28 109.43 1x40 n THR 40 Ca -0.13 -0.60 -0.24 0.00 -2.27 0.00 0.00 64.05 60.81 1x40 n THR 40 Cb 0.45 -1.28 -0.10 0.00 -2.10 0.00 0.00 70.33 67.30 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 -2.51 1.32 0.42 4.28 -4.23 -1.26 0.02 115.64 113.68 1x40 s THR 41 Ca -0.31 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.29 1x40 s THR 41 Cb 0.08 -2.74 0.24 0.00 1.34 0.00 0.00 72.50 71.42 1x40 s THR 41 CO 0.62 0.00 2.03 0.58 -0.54 0.00 0.00 174.62 177.31 1x40 h VAL 42 N 1.93 1.11 -0.80 2.29 2.07 -1.80 -2.37 116.25 118.68 1x40 h VAL 42 Ca -0.41 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 66.88 1x40 h VAL 42 Cb 1.25 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 1x40 h VAL 42 CO 0.71 0.12 0.46 0.50 0.02 0.00 0.00 177.57 179.38 1x40 h LYS 43 N 0.40 0.76 0.00 1.57 1.63 -1.96 0.12 116.57 119.09 1x40 h LYS 43 Ca 0.10 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1x40 h LYS 43 Cb 0.06 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1x40 h LYS 43 CO -0.01 0.50 -0.00 -0.44 -3.45 0.00 0.00 179.45 176.05 1x40 h ASP 44 N 0.78 0.00 -0.03 4.20 5.19 -1.81 0.84 116.42 125.59 1x40 h ASP 44 Ca 0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 1x40 h ASP 44 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1x40 h ASP 44 CO -0.23 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 175.89 1x40 h ALA 46 N 3.32 0.78 -0.02 0.00 0.00 -0.89 -3.11 119.26 119.34 1x40 h ALA 46 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1x40 h ALA 46 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1x40 h ALA 46 CO 0.00 0.60 -0.23 0.00 0.00 0.00 0.00 179.25 179.62 1x40 n ALA 47 N -2.26 2.99 -1.86 0.00 0.00 -1.22 -4.95 120.51 113.21 1x40 n ALA 47 Ca 0.01 -0.66 -0.36 0.00 0.00 0.00 0.00 53.44 52.42 1x40 n ALA 47 Cb 0.65 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.23 4.32 0.53 0.00 1.01 -1.18 -5.08 121.20 118.57 1x40 s ILE 48 Ca 0.24 1.65 0.01 0.00 0.00 0.00 0.00 60.65 62.54 1x40 s ILE 48 Cb 0.19 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.76 1x40 s ILE 48 CO 0.43 0.08 0.04 0.20 0.00 0.00 0.00 174.94 175.69 1x40 s ASN 49 N -1.73 4.22 0.03 3.58 0.01 -1.26 -5.03 114.94 114.76 1x40 s ASN 49 Ca 0.51 -1.67 -0.27 0.00 -0.71 0.00 0.00 52.86 50.72 1x40 s ASN 49 Cb -0.17 0.69 -0.17 0.00 0.41 0.00 0.00 41.25 42.02 1x40 s ASN 49 CO 0.21 -0.96 1.30 0.44 -1.51 0.00 0.00 177.10 176.59 1x40 h ASP 50 N 1.21 -0.56 0.00 -1.22 5.19 -2.01 -2.58 116.42 116.44 1x40 h ASP 50 Ca -0.43 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1x40 h ASP 50 Cb 1.33 0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.98 1x40 h ASP 50 CO 0.71 -0.24 0.03 -1.20 -3.12 0.00 0.00 179.24 175.43 1x40 n SER 51 N -5.29 0.47 0.12 6.45 7.64 -1.26 -1.23 113.62 120.53 1x40 n SER 51 Ca -0.11 0.71 -0.23 0.00 1.01 0.00 0.00 58.87 60.25 1x40 n SER 51 Cb 0.31 -0.76 -0.14 0.00 -1.01 0.00 0.00 64.21 62.61 1x40 n SER 51 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1x40 h LEU 52 N 0.00 0.87 -0.44 -3.43 5.85 -1.87 -2.92 115.31 113.37 1x40 h LEU 52 Ca 0.00 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.86 1x40 h LEU 52 Cb 0.06 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1x40 h LEU 52 CO 0.00 1.66 0.28 -0.07 -0.34 0.00 0.00 178.44 179.97 1x40 h LEU 53 N 0.22 0.51 -0.02 2.25 -0.00 -0.95 -1.03 115.31 116.29 1x40 h LEU 53 Ca -0.22 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1x40 h LEU 53 Cb 2.04 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 42.57 1x40 h LEU 53 CO 0.26 0.39 0.00 0.00 -0.00 0.00 0.00 178.44 179.08 1x40 n GLN 54 N -4.77 0.01 0.09 1.13 -0.00 -1.20 -2.67 117.38 109.97 1x40 n GLN 54 Ca 0.01 0.15 -0.23 0.00 -0.00 0.00 0.00 57.00 56.93 1x40 n GLN 54 Cb 0.03 -1.52 -0.15 0.00 -0.00 0.00 0.00 30.24 28.60 1x40 n GLN 54 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1x40 h LYS 55 N 0.00 0.42 -0.23 2.61 3.64 -1.02 -3.33 116.57 118.67 1x40 h LYS 55 Ca 0.00 -0.72 -0.03 0.00 -1.27 0.00 0.00 60.65 58.63 1x40 h LYS 55 Cb 0.37 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1x40 h LYS 55 CO 0.00 1.34 0.02 -0.84 -2.27 0.00 0.00 179.45 177.71 1x40 h ILE 56 N 0.12 1.13 0.00 2.00 3.07 -1.26 -3.45 117.51 119.11 1x40 h ILE 56 Ca -0.33 -0.49 0.00 0.00 1.55 0.00 0.00 64.86 65.59 1x40 h ILE 56 Cb 2.12 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 39.60 1x40 h ILE 56 CO 0.20 0.17 0.00 0.61 -1.05 0.00 0.00 178.15 178.08 1x40 n GLY 57 N -1.15 0.38 3.53 0.16 0.00 -1.23 -4.97 105.19 101.92 1x40 n GLY 57 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.03 0.16 -0.61 5.41 -1.09 -4.78 119.36 118.42 1x40 n ILE 58 Ca 0.00 -0.45 -0.10 0.00 1.00 0.00 0.00 62.75 63.19 1x40 n ILE 58 Cb 0.00 -1.46 -0.06 0.00 -0.71 0.00 0.00 39.64 37.41 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 14.48 -0.40 -3.54 4.38 0.02 -1.88 -3.36 113.55 123.24 1x40 h SER 59 Ca -0.09 -0.11 -0.52 0.00 -0.84 0.00 0.00 61.79 60.23 1x40 h SER 59 Cb 1.20 0.10 0.04 0.00 0.14 0.00 0.00 62.40 63.89 1x40 h SER 59 CO 1.28 0.05 0.62 -2.16 -1.14 0.00 0.00 176.83 175.48 1x40 s PRO 60 N -3.64 4.42 -0.00 3.45 0.04 -1.26 -4.96 135.00 133.04 1x40 s PRO 60 Ca -0.11 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.80 1x40 s PRO 60 Cb 0.01 -3.17 -0.34 0.00 0.04 0.00 0.00 34.50 31.04 1x40 s PRO 60 CO 0.36 -0.18 0.95 1.15 0.04 0.00 0.00 177.00 179.32 1x40 h THR 61 N 3.52 1.36 -1.01 1.26 2.02 -2.01 -3.33 112.91 114.72 1x40 h THR 61 Ca -0.46 -2.63 0.40 0.00 0.77 0.00 0.00 66.41 64.49 1x40 h THR 61 Cb 1.22 3.10 -0.15 0.00 -1.74 0.00 0.00 68.15 70.58 1x40 h THR 61 CO 0.73 0.77 0.58 0.61 0.37 0.00 0.00 175.52 178.59 1x40 n GLY 62 N 1.70 -0.71 0.20 2.16 0.00 -1.26 0.16 105.19 107.45 1x40 n GLY 62 Ca -0.16 0.73 -0.17 0.00 0.00 0.00 0.00 46.02 46.42 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 0.91 -0.09 1.61 -0.00 -1.99 -3.23 115.15 112.36 1x40 h HIS 63 Ca 0.78 -0.39 0.04 0.00 -0.00 0.00 0.00 60.37 60.80 1x40 h HIS 63 Cb 2.21 -0.14 -0.06 0.00 -0.00 0.00 0.00 27.41 29.41 1x40 h HIS 63 CO -0.01 1.20 -0.40 0.00 -0.00 0.00 0.00 177.93 178.72 1x40 h ARG 64 N 0.37 -0.48 -0.71 2.45 3.08 0.15 -0.61 114.38 118.62 1x40 h ARG 64 Ca -0.04 0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.20 1x40 h ARG 64 Cb 1.26 0.11 -0.11 0.00 0.08 0.00 0.00 29.97 31.31 1x40 h ARG 64 CO 0.13 -0.32 0.10 0.00 -1.07 0.00 0.00 179.97 178.81 1x40 h ARG 65 N -0.50 0.19 -0.96 0.04 3.08 -1.53 0.21 114.38 114.91 1x40 h ARG 65 Ca 0.07 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.12 1x40 h ARG 65 Cb 0.62 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 1x40 h ARG 65 CO -0.36 0.12 0.64 -0.09 -1.07 0.00 0.00 179.97 179.21 1x40 h ARG 66 N 0.19 1.27 0.57 0.04 2.43 -1.32 0.25 114.38 117.82 1x40 h ARG 66 Ca 0.39 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 1x40 h ARG 66 Cb 0.67 -0.29 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1x40 h ARG 66 CO -0.55 0.84 -0.28 0.82 -1.51 0.00 0.00 179.97 179.30 1x40 h ILE 67 N 1.31 0.06 0.53 1.20 2.04 0.78 -3.04 117.51 120.39 1x40 h ILE 67 Ca 0.35 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1x40 h ILE 67 Cb -0.15 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.01 1x40 h ILE 67 CO -0.08 0.01 -0.41 -0.07 0.00 0.00 0.00 178.15 177.61 1x40 h LEU 68 N -1.18 -1.06 -0.91 1.44 3.38 -0.76 -0.76 115.31 115.46 1x40 h LEU 68 Ca -0.08 0.08 0.30 0.00 0.09 0.00 0.00 57.88 58.27 1x40 h LEU 68 Cb 0.61 0.33 -0.17 0.00 0.09 0.00 0.00 40.66 41.53 1x40 h LEU 68 CO 0.13 -0.59 0.19 1.17 0.09 0.00 0.00 178.44 179.43 1x40 n LYS 69 N -5.52 -0.07 -0.02 1.13 4.81 0.87 0.13 118.16 119.49 1x40 n LYS 69 Ca -0.12 1.32 -0.17 0.00 -0.87 0.00 0.00 58.31 58.48 1x40 n LYS 69 Cb 0.41 -2.20 -0.08 0.00 0.02 0.00 0.00 35.03 33.19 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 0.66 -0.69 1.64 1.08 -1.32 -3.12 115.11 113.35 1x40 h GLN 70 Ca 0.63 -0.54 0.13 0.00 -1.45 0.00 0.00 58.65 57.42 1x40 h GLN 70 Cb 1.47 0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 28.93 1x40 h GLN 70 CO -0.80 1.16 0.24 -0.07 -0.95 0.00 0.00 178.83 178.41 1x40 h LEU 71 N 0.32 0.19 0.39 1.46 3.38 0.26 0.20 115.31 121.51 1x40 h LEU 71 Ca -0.05 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1x40 h LEU 71 Cb 1.28 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1x40 h LEU 71 CO 0.13 0.08 -0.19 1.56 0.09 0.00 0.00 178.44 180.12 1x40 h GLN 72 N 0.39 -0.51 -0.42 1.13 1.08 -1.21 0.26 115.11 115.84 1x40 h GLN 72 Ca 0.37 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.65 1x40 h GLN 72 Cb 0.55 0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.05 1x40 h GLN 72 CO -0.39 -0.31 0.16 0.82 -0.95 0.00 0.00 178.83 178.16 1x40 h ILE 73 N -0.57 0.89 0.51 2.54 2.04 -1.34 0.14 117.51 121.72 1x40 h ILE 73 Ca -0.05 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1x40 h ILE 73 Cb 0.43 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1x40 h ILE 73 CO 0.09 0.06 -0.24 0.40 0.00 0.00 0.00 178.15 178.45 1x40 h ILE 74 N 0.33 0.00 -0.73 -0.67 2.04 -0.52 -2.11 117.51 115.85 1x40 h ILE 74 Ca 0.19 -0.12 0.16 0.00 1.00 0.00 0.00 64.86 66.10 1x40 h ILE 74 Cb 0.17 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.13 1x40 h ILE 74 CO -0.19 0.00 0.05 -0.07 0.00 0.00 0.00 178.15 177.94 1x40 h LEU 75 N -0.80 -0.24 -0.58 1.44 3.38 -0.45 0.84 115.31 118.90 1x40 h LEU 75 Ca -0.07 0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.16 1x40 h LEU 75 Cb 0.52 0.30 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 1x40 h LEU 75 CO 0.11 -0.14 0.23 0.28 0.09 0.00 0.00 178.44 179.02 1x40 h SER 76 N 0.14 0.26 0.14 -0.43 0.02 -0.71 -2.54 113.55 110.43 1x40 h SER 76 Ca 0.40 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.43 1x40 h SER 76 Cb 0.70 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 1x40 h SER 76 CO -0.61 0.17 -0.24 0.11 -1.14 0.00 0.00 176.83 175.12 1x40 h LYS 77 N 0.43 -0.44 -0.81 3.45 1.79 -0.13 -1.01 116.57 119.85 1x40 h LYS 77 Ca 0.28 0.03 0.24 0.00 -2.18 0.00 0.00 60.65 59.02 1x40 h LYS 77 Cb 0.31 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.03 1x40 h LYS 77 CO -0.26 -0.29 1.11 0.52 -1.08 0.00 0.00 179.45 179.44 1x40 h MET 78 N -0.46 0.00 -5.03 3.15 2.86 -0.96 -3.40 114.93 111.09 1x40 h MET 78 Ca 0.02 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.06 1x40 h MET 78 Cb 0.47 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.00 1x40 h MET 78 CO -0.12 0.00 -0.49 -0.65 1.06 0.00 0.00 176.91 176.71 1x40 s GLN 79 N -4.38 2.04 -1.47 1.72 -0.21 -0.38 -4.83 119.66 112.14 1x40 s GLN 79 Ca -0.02 -2.27 -0.07 0.00 0.02 0.00 0.00 55.36 53.01 1x40 s GLN 79 Cb 0.12 -0.70 0.03 0.00 1.00 0.00 0.00 33.01 33.46 1x40 s GLN 79 CO 0.40 -0.52 0.73 -3.47 -2.12 0.00 0.00 175.29 170.31 1x40 n ASP 80 N -1.45 -5.60 -4.47 5.90 2.03 -1.26 -4.87 116.55 106.83 1x40 n ASP 80 Ca -0.09 -0.41 -0.31 0.00 0.52 0.00 0.00 54.79 54.51 1x40 n ASP 80 Cb 0.65 -4.50 -0.12 0.00 -0.72 0.00 0.00 41.12 36.42 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 -3.17 2.91 0.58 5.18 -4.36 -1.26 -5.02 121.20 116.05 1x40 s ILE 81 Ca 0.41 -1.10 -0.18 0.00 -0.26 0.00 0.00 60.65 59.53 1x40 s ILE 81 Cb -0.19 -2.22 -0.04 0.00 1.25 0.00 0.00 42.46 41.25 1x40 s ILE 81 CO 0.51 0.37 1.12 -2.16 0.24 0.00 0.00 174.94 175.02 1x40 s PRO 82 N -1.37 3.19 -0.48 0.37 0.04 -1.26 -4.92 135.00 130.57 1x40 s PRO 82 Ca 0.15 1.54 -0.27 0.00 0.04 0.00 0.00 61.00 62.46 1x40 s PRO 82 Cb -0.11 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1x40 s PRO 82 CO 0.05 -0.96 1.94 0.42 0.04 0.00 0.00 177.00 178.49 1x40 s ILE 83 N -1.94 3.33 -0.04 0.56 1.01 -1.26 -4.93 121.20 117.92 1x40 s ILE 83 Ca 0.71 0.26 -0.30 0.00 0.00 0.00 0.00 60.65 61.32 1x40 s ILE 83 Cb -0.23 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 1x40 s ILE 83 CO 0.31 -0.55 1.50 -0.31 0.00 0.00 0.00 174.94 175.89 1x40 s TYR 84 N 8.77 2.49 0.08 3.97 1.51 -1.26 -4.81 117.35 128.10 1x40 s TYR 84 Ca 0.78 0.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.40 1x40 s TYR 84 Cb -0.18 -3.76 0.00 0.00 -0.11 0.00 0.00 41.96 37.91 1x40 s TYR 84 CO 0.27 -3.00 0.00 0.00 -1.11 0.00 0.00 175.55 171.71 1x40 n ALA 85 N 6.22 3.00 -2.37 3.71 0.00 -1.26 -5.12 120.51 124.69 1x40 n ALA 85 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.37 1x40 n ALA 85 Cb 0.43 0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 1x40 n ALA 85 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x40 s SER 86 N -5.10 4.89 0.00 0.00 1.04 -1.26 -5.01 113.70 108.26 1x40 s SER 86 Ca 0.00 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1x40 s SER 86 Cb 0.00 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1x40 s SER 86 CO 0.00 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1x40 n GLY 87 N -1.38 -1.39 3.57 7.32 0.00 -1.26 -5.06 105.19 107.00 1x40 n GLY 87 Ca 0.00 0.52 -0.27 0.00 0.00 0.00 0.00 46.02 46.27 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 2.51 -1.20 1.61 0.04 -1.26 -4.88 135.00 131.81 1x40 s PRO 88 Ca 0.00 -0.83 -0.19 0.00 0.04 0.00 0.00 61.00 60.03 1x40 s PRO 88 Cb 0.00 -5.17 0.08 0.00 0.04 0.00 0.00 34.50 29.45 1x40 s PRO 88 CO 0.00 -3.76 1.60 -1.54 0.04 0.00 0.00 177.00 173.33 1x40 s SER 89 N 7.10 6.79 -0.11 6.66 1.04 -1.26 -4.97 113.70 128.95 1x40 s SER 89 Ca 0.69 -2.29 -0.09 0.00 0.48 0.00 0.00 55.95 54.74 1x40 s SER 89 Cb -0.03 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 1x40 s SER 89 CO 0.08 -1.18 0.20 -0.55 0.98 0.00 0.00 173.24 172.77 1x40 s SER 90 N 4.16 6.45 0.00 7.02 0.15 -1.26 -5.32 113.70 124.89 1x40 s SER 90 Ca 0.49 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.68 1x40 s SER 90 Cb 0.02 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1x40 s SER 90 CO 0.02 0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.41