#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 1.30 -0.06 1.61 1.04 -1.26 -5.14 113.70 111.20 1x40 s SER 2 Ca 0.00 0.00 0.05 0.00 0.48 0.00 0.00 55.95 56.48 1x40 s SER 2 Cb 0.00 -0.19 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 1x40 s SER 2 CO 0.00 -0.25 -0.21 -0.94 0.98 0.00 0.00 173.24 172.82 1x40 s SER 3 N 2.14 3.42 0.27 7.02 1.04 -1.26 -4.95 113.70 121.37 1x40 s SER 3 Ca 0.05 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1x40 s SER 3 Cb -0.12 -0.86 0.00 0.00 0.10 0.00 0.00 66.02 65.14 1x40 s SER 3 CO -0.04 0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.06 1x40 n GLY 4 N 2.78 -1.36 0.36 7.32 0.00 -1.26 -4.97 105.19 108.06 1x40 n GLY 4 Ca -0.17 0.30 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1x40 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x40 h SER 5 N 0.00 -1.13 -0.35 1.61 4.64 -2.07 -3.38 113.55 112.87 1x40 h SER 5 Ca 0.00 0.30 -0.62 0.00 -0.47 0.00 0.00 61.79 61.00 1x40 h SER 5 Cb 0.00 0.67 -0.05 0.00 -0.31 0.00 0.00 62.40 62.71 1x40 h SER 5 CO 0.00 -0.31 1.53 -1.20 -0.87 0.00 0.00 176.83 175.99 1x40 n SER 6 N -5.55 0.98 0.00 4.97 7.64 -1.26 -3.86 113.62 116.54 1x40 n SER 6 Ca 0.13 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1x40 n SER 6 Cb 0.45 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1x40 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x40 n GLY 7 N 6.81 -0.14 3.37 0.23 0.00 -1.26 -5.12 105.19 109.08 1x40 n GLY 7 Ca 0.55 -0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -3.36 1.61 2.00 -1.25 -4.87 117.12 111.25 1x40 n MET 8 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.29 1x40 n MET 8 Cb 0.00 -1.36 -0.09 0.00 0.00 0.00 0.00 33.22 31.77 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 2.94 6.22 0.79 7.83 0.01 -1.26 -5.06 113.70 125.17 1x40 s SER 9 Ca 0.96 -0.17 -0.12 0.00 1.31 0.00 0.00 55.95 57.93 1x40 s SER 9 Cb -1.36 -2.22 0.07 0.00 0.21 0.00 0.00 66.02 62.72 1x40 s SER 9 CO 0.73 -0.38 1.13 -0.55 0.41 0.00 0.00 173.24 174.58 1x40 s SER 10 N 1.74 4.06 -0.29 2.44 0.15 -1.26 -5.04 113.70 115.50 1x40 s SER 10 Ca 0.14 2.04 -0.20 0.00 0.70 0.00 0.00 55.95 58.63 1x40 s SER 10 Cb -0.16 -2.55 0.17 0.00 -1.71 0.00 0.00 66.02 61.77 1x40 s SER 10 CO 0.12 -2.34 1.19 0.54 1.20 0.00 0.00 173.24 173.95 1x40 s VAL 11 N -2.60 0.00 0.42 4.45 0.11 -1.26 -5.01 120.40 116.51 1x40 s VAL 11 Ca 0.66 0.00 0.30 0.00 -2.93 0.00 0.00 61.98 60.01 1x40 s VAL 11 Cb -0.21 -1.00 0.47 0.00 -1.53 0.00 0.00 36.38 34.11 1x40 s VAL 11 CO 0.53 0.00 1.54 -0.24 -3.33 0.00 0.00 175.10 173.59 1x40 n SER 12 N 2.64 0.23 -4.53 3.54 2.88 -1.26 -4.45 113.62 112.67 1x40 n SER 12 Ca -0.15 1.40 -0.30 0.00 -1.33 0.00 0.00 58.87 58.50 1x40 n SER 12 Cb 0.57 -0.69 0.21 0.00 -0.75 0.00 0.00 64.21 63.55 1x40 n SER 12 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1x40 n GLU 13 N -4.76 -1.50 -3.61 -1.46 4.07 -1.26 -2.91 120.64 109.22 1x40 n GLU 13 Ca 0.39 -0.39 -0.26 0.00 -0.06 0.00 0.00 57.16 56.84 1x40 n GLU 13 Cb 1.50 -2.19 -0.06 0.00 -0.06 0.00 0.00 31.44 30.63 1x40 n GLU 13 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1x40 n VAL 14 N -4.58 -0.23 -3.96 6.31 0.31 -1.26 -4.86 118.33 110.06 1x40 n VAL 14 Ca 0.07 -0.12 -0.09 0.00 -0.01 0.00 0.00 64.34 64.19 1x40 n VAL 14 Cb 0.54 -0.45 -0.10 0.00 -0.91 0.00 0.00 33.84 32.91 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 -3.00 0.20 0.07 4.52 3.84 -1.15 -4.75 114.94 114.68 1x40 s ASN 15 Ca 0.37 -0.48 0.05 0.00 0.21 0.00 0.00 52.86 53.01 1x40 s ASN 15 Cb -0.22 0.15 -0.03 0.00 -0.55 0.00 0.00 41.25 40.61 1x40 s ASN 15 CO 0.68 -0.38 -0.15 0.68 -2.79 0.00 0.00 177.10 175.15 1x40 s VAL 16 N -1.85 1.19 0.15 -5.21 -7.23 -1.26 -5.05 120.40 101.14 1x40 s VAL 16 Ca -0.12 -1.30 -0.31 0.00 -1.81 0.00 0.00 61.98 58.45 1x40 s VAL 16 Cb -0.06 -1.13 -0.08 0.00 0.56 0.00 0.00 36.38 35.67 1x40 s VAL 16 CO -0.02 -0.17 1.37 -0.62 -0.31 0.00 0.00 175.10 175.35 1x40 s ASP 17 N -1.69 6.84 0.43 4.85 -1.08 -1.26 -2.58 116.67 122.17 1x40 s ASP 17 Ca -0.00 2.36 0.32 0.00 -0.52 0.00 0.00 52.55 54.71 1x40 s ASP 17 Cb -0.10 -2.59 1.44 0.00 -1.46 0.00 0.00 42.92 40.21 1x40 s ASP 17 CO 0.02 -0.62 1.50 0.00 0.52 0.00 0.00 175.17 176.60 1x40 n ILE 18 N 3.49 -0.24 -0.05 4.11 0.13 0.14 0.11 119.36 127.05 1x40 n ILE 18 Ca 0.10 1.73 -0.08 0.00 -1.10 0.00 0.00 62.75 63.40 1x40 n ILE 18 Cb 0.42 -2.84 -0.02 0.00 -0.84 0.00 0.00 39.64 36.36 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 0.09 -0.74 9.51 3.64 -1.89 -1.25 116.57 125.93 1x40 h LYS 19 Ca 0.85 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 60.18 1x40 h LYS 19 Cb 2.76 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 34.53 1x40 h LYS 19 CO -0.44 0.06 0.29 -0.44 -2.27 0.00 0.00 179.45 176.65 1x40 h ASP 20 N 0.09 1.03 -0.37 4.20 5.19 0.36 0.18 116.42 127.11 1x40 h ASP 20 Ca 0.10 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1x40 h ASP 20 Cb 0.12 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.34 1x40 h ASP 20 CO -0.16 0.93 0.24 0.15 -3.12 0.00 0.00 179.24 177.29 1x40 h PHE 21 N 1.07 0.47 0.00 4.55 3.57 -0.99 -0.61 116.94 125.01 1x40 h PHE 21 Ca 0.25 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 1x40 h PHE 21 Cb 0.23 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1x40 h PHE 21 CO 0.02 0.30 -0.43 -0.07 -2.23 0.00 0.00 178.31 175.89 1x40 h LEU 22 N 0.50 0.00 -2.13 0.59 3.38 -0.74 -3.33 115.31 113.59 1x40 h LEU 22 Ca 0.14 -0.83 0.08 0.00 0.09 0.00 0.00 57.88 57.35 1x40 h LEU 22 Cb -0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1x40 h LEU 22 CO -0.03 1.17 0.27 0.24 0.09 0.00 0.00 178.44 180.19 1x40 h MET 23 N -0.99 0.00 0.00 1.13 2.86 -0.52 0.34 114.93 117.74 1x40 h MET 23 Ca -0.12 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 1x40 h MET 23 Cb 1.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 1x40 h MET 23 CO -0.07 0.00 -0.26 0.66 1.06 0.00 0.00 176.91 178.30 1x40 h SER 24 N 0.00 0.00 -0.02 1.22 4.64 -1.21 -2.86 113.55 115.32 1x40 h SER 24 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1x40 h SER 24 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1x40 h SER 24 CO -0.00 0.26 0.00 2.30 -0.87 0.00 0.00 176.83 178.52 1x40 n ILE 25 N -3.83 0.03 -2.38 0.95 -5.35 0.61 -4.99 119.36 104.40 1x40 n ILE 25 Ca -0.02 -0.51 -0.08 0.00 -0.27 0.00 0.00 62.75 61.87 1x40 n ILE 25 Cb 0.35 1.14 0.01 0.00 -1.74 0.00 0.00 39.64 39.40 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 0.43 -3.12 -0.68 7.28 5.15 0.86 -4.93 115.26 120.24 1x40 n ASN 26 Ca 0.05 -0.07 0.06 0.00 -0.60 0.00 0.00 54.58 54.02 1x40 n ASN 26 Cb 0.20 -2.20 0.21 0.00 -0.53 0.00 0.00 39.78 37.46 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 -1.46 3.40 0.11 1.20 7.99 -0.18 -4.67 117.00 123.40 1x40 n LEU 27 Ca -0.07 -3.25 0.07 0.00 -0.01 0.00 0.00 56.01 52.75 1x40 n LEU 27 Cb 0.56 -0.53 0.36 0.00 -0.11 0.00 0.00 43.42 43.70 1x40 n LEU 27 CO 0.15 0.85 0.72 -1.84 -1.51 0.00 0.00 177.39 175.77 1x40 n GLU 28 N -0.95 0.09 0.31 3.23 0.28 -1.25 -1.44 120.64 120.90 1x40 n GLU 28 Ca 0.22 0.56 0.19 0.00 -0.16 0.00 0.00 57.16 57.97 1x40 n GLU 28 Cb 0.83 -1.87 1.04 0.00 1.43 0.00 0.00 31.44 32.87 1x40 n GLU 28 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 1x40 h GLN 29 N 0.00 0.00 -0.64 3.44 3.07 -1.94 0.16 115.11 119.20 1x40 h GLN 29 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 1x40 h GLN 29 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.72 1x40 h GLN 29 CO 0.00 0.00 0.05 0.66 0.09 0.00 0.00 178.83 179.63 1x40 n TYR 30 N -3.36 2.00 -0.04 0.06 4.01 -0.52 -4.44 117.16 114.87 1x40 n TYR 30 Ca -0.02 -0.75 -0.12 0.00 -0.16 0.00 0.00 57.90 56.84 1x40 n TYR 30 Cb 0.16 -0.52 -0.07 0.00 -0.31 0.00 0.00 39.34 38.60 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 3.49 0.24 -1.66 7.72 5.85 -0.87 -1.79 115.31 128.30 1x40 h LEU 31 Ca 0.05 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1x40 h LEU 31 Cb 1.94 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.90 1x40 h LEU 31 CO 0.50 0.57 -0.20 0.25 -0.34 0.00 0.00 178.44 179.22 1x40 h LEU 32 N -0.08 0.00 0.09 2.25 7.12 -1.80 -0.63 115.31 122.26 1x40 h LEU 32 Ca 0.03 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.04 1x40 h LEU 32 Cb 0.46 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.59 1x40 h LEU 32 CO 0.01 0.20 -0.04 0.45 -0.13 0.00 0.00 178.44 178.93 1x40 h HIS 33 N 0.00 -0.11 -0.43 1.25 3.86 -1.80 -2.31 115.15 115.60 1x40 h HIS 33 Ca -0.00 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 1x40 h HIS 33 Cb 0.40 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1x40 h HIS 33 CO 0.00 0.41 0.15 0.74 0.86 0.00 0.00 177.93 180.09 1x40 h PHE 34 N -0.73 0.68 0.65 2.45 0.04 -1.20 -1.10 116.94 117.72 1x40 h PHE 34 Ca -0.01 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 1x40 h PHE 34 Cb 0.57 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1x40 h PHE 34 CO 0.11 0.60 -0.47 0.45 -0.60 0.00 0.00 178.31 178.41 1x40 h HIS 35 N 0.55 -1.26 -0.95 -0.55 3.86 -1.20 0.22 115.15 115.82 1x40 h HIS 35 Ca 0.14 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.45 1x40 h HIS 35 Cb 0.23 0.46 -0.07 0.00 1.06 0.00 0.00 27.41 29.10 1x40 h HIS 35 CO 0.01 -0.67 0.61 0.93 0.86 0.00 0.00 177.93 179.66 1x40 h GLU 36 N -1.07 0.94 0.00 2.45 4.39 -1.41 0.25 114.58 120.13 1x40 h GLU 36 Ca -0.08 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 1x40 h GLU 36 Cb 0.89 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1x40 h GLU 36 CO 0.04 0.62 -0.14 1.03 -1.16 0.00 0.00 179.01 179.40 1x40 h SER 37 N 0.97 0.00 0.00 1.42 0.87 -0.81 -3.46 113.55 112.54 1x40 h SER 37 Ca 0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 1x40 h SER 37 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1x40 h SER 37 CO -0.20 0.14 0.00 0.61 -0.53 0.00 0.00 176.83 176.85 1x40 n GLY 38 N -1.08 1.51 2.97 5.77 0.00 0.08 -5.08 105.19 109.36 1x40 n GLY 38 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 2.96 -0.21 1.61 0.08 0.65 -4.98 117.98 116.09 1x40 s PHE 39 Ca 0.00 -2.30 -0.20 0.00 0.12 0.00 0.00 56.93 54.55 1x40 s PHE 39 Cb 0.00 -2.12 -0.19 0.00 -0.57 0.00 0.00 43.02 40.14 1x40 s PHE 39 CO 0.00 -0.87 0.18 0.25 -0.10 0.00 0.00 175.22 174.68 1x40 n THR 40 N 4.50 1.55 -3.84 0.64 -2.24 -1.26 -3.76 114.28 109.87 1x40 n THR 40 Ca -0.06 -0.10 -0.23 0.00 -2.27 0.00 0.00 64.05 61.40 1x40 n THR 40 Cb 0.43 -2.01 -0.05 0.00 -2.10 0.00 0.00 70.33 66.60 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 -2.39 2.47 0.21 4.28 -4.23 -1.26 0.23 115.64 114.95 1x40 s THR 41 Ca -0.29 -1.52 -0.08 0.00 -1.18 0.00 0.00 61.69 58.62 1x40 s THR 41 Cb 0.07 -2.99 0.13 0.00 1.34 0.00 0.00 72.50 71.04 1x40 s THR 41 CO 0.59 0.00 1.73 0.58 -0.54 0.00 0.00 174.62 176.99 1x40 h VAL 42 N 1.22 1.26 -0.44 2.29 2.07 -1.80 -3.10 116.25 117.75 1x40 h VAL 42 Ca -0.42 -0.95 0.09 0.00 0.82 0.00 0.00 66.70 66.23 1x40 h VAL 42 Cb 1.26 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 31.44 1x40 h VAL 42 CO 0.64 0.37 -0.31 0.50 0.02 0.00 0.00 177.57 178.79 1x40 h LYS 43 N 1.08 -0.21 -0.06 1.57 1.63 -1.96 0.56 116.57 119.18 1x40 h LYS 43 Ca 0.23 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.06 1x40 h LYS 43 Cb 0.35 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1x40 h LYS 43 CO -0.00 -0.14 0.66 -0.44 -3.45 0.00 0.00 179.45 176.08 1x40 h ASP 44 N -0.21 0.00 -0.10 4.20 5.19 -1.95 1.01 116.42 124.56 1x40 h ASP 44 Ca 0.19 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1x40 h ASP 44 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 1x40 h ASP 44 CO -0.56 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 175.56 1x40 h ALA 46 N 2.62 1.00 -0.53 0.00 0.00 0.95 -2.98 119.26 120.32 1x40 h ALA 46 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 1x40 h ALA 46 Cb 0.53 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1x40 h ALA 46 CO 0.05 0.67 0.11 0.00 0.00 0.00 0.00 179.25 180.09 1x40 n ALA 47 N -2.39 3.99 -2.82 0.00 0.00 -1.25 -4.97 120.51 113.07 1x40 n ALA 47 Ca -0.01 -2.40 -0.33 0.00 0.00 0.00 0.00 53.44 50.70 1x40 n ALA 47 Cb 0.58 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.96 4.96 0.07 0.00 1.01 -1.13 -5.05 121.20 118.10 1x40 s ILE 48 Ca 0.50 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.75 1x40 s ILE 48 Cb 0.40 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 1x40 s ILE 48 CO 0.11 0.34 0.13 0.20 0.00 0.00 0.00 174.94 175.72 1x40 s ASN 49 N -1.81 0.19 0.25 3.58 0.01 -1.26 -5.01 114.94 110.89 1x40 s ASN 49 Ca 0.24 -0.66 0.04 0.00 -0.71 0.00 0.00 52.86 51.77 1x40 s ASN 49 Cb -0.12 0.29 0.66 0.00 0.41 0.00 0.00 41.25 42.48 1x40 s ASN 49 CO 0.15 -0.65 1.21 0.47 -1.51 0.00 0.00 177.10 176.78 1x40 n ASP 50 N 0.20 -0.03 -0.22 -1.22 9.92 -1.26 0.20 116.55 124.13 1x40 n ASP 50 Ca -0.16 1.31 0.02 0.00 -0.53 0.00 0.00 54.79 55.42 1x40 n ASP 50 Cb 0.61 -0.50 0.13 0.00 -0.64 0.00 0.00 41.12 40.73 1x40 n ASP 50 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 1x40 h SER 51 N 0.00 0.23 -0.34 -2.24 0.87 -1.98 -0.71 113.55 109.38 1x40 h SER 51 Ca 0.50 0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 61.05 1x40 h SER 51 Cb 1.08 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 1x40 h SER 51 CO -0.71 0.12 -0.17 0.25 -0.53 0.00 0.00 176.83 175.80 1x40 h LEU 52 N 0.42 0.74 0.05 2.23 5.85 0.19 -2.33 115.31 122.45 1x40 h LEU 52 Ca 0.35 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1x40 h LEU 52 Cb 0.46 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1x40 h LEU 52 CO -0.35 0.98 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.40 1x40 h LEU 53 N 0.49 -0.78 -0.08 2.25 -0.00 -0.35 0.28 115.31 117.13 1x40 h LEU 53 Ca 0.08 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1x40 h LEU 53 Cb 0.71 0.31 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 1x40 h LEU 53 CO 0.05 -0.34 0.00 0.00 -0.00 0.00 0.00 178.44 178.15 1x40 n GLN 54 N -5.38 0.02 -0.10 1.13 -0.00 -0.36 -2.84 117.38 109.85 1x40 n GLN 54 Ca -0.06 0.30 -0.20 0.00 -0.00 0.00 0.00 57.00 57.04 1x40 n GLN 54 Cb 0.29 -1.54 -0.12 0.00 -0.00 0.00 0.00 30.24 28.88 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 0.00 -0.69 2.61 3.64 -0.32 -3.35 116.57 118.46 1x40 h LYS 55 Ca 0.00 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.58 1x40 h LYS 55 Cb 0.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1x40 h LYS 55 CO 0.00 0.99 0.62 -0.84 -2.27 0.00 0.00 179.45 177.95 1x40 h ILE 56 N -1.00 0.39 0.00 2.00 3.07 -0.44 -3.44 117.51 118.10 1x40 h ILE 56 Ca -0.27 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.14 1x40 h ILE 56 Cb 1.23 0.53 0.00 0.00 -0.27 0.00 0.00 36.82 38.32 1x40 h ILE 56 CO -0.17 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.54 1x40 n GLY 57 N -1.61 2.31 2.41 0.16 0.00 -1.22 -4.98 105.19 102.26 1x40 n GLY 57 Ca 0.14 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.13 -4.79 119.36 118.39 1x40 n ILE 58 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 1x40 n ILE 58 Cb 0.00 -0.35 -0.04 0.00 -0.71 0.00 0.00 39.64 38.54 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 7.99 -0.39 -3.62 4.38 0.02 -1.89 -3.39 113.55 116.65 1x40 h SER 59 Ca -0.04 -0.01 -0.52 0.00 -0.84 0.00 0.00 61.79 60.37 1x40 h SER 59 Cb 0.93 0.10 0.04 0.00 0.14 0.00 0.00 62.40 63.61 1x40 h SER 59 CO 0.93 0.06 0.61 -2.16 -1.14 0.00 0.00 176.83 175.13 1x40 s PRO 60 N -3.14 4.43 -0.13 3.45 0.04 -1.26 -4.97 135.00 133.41 1x40 s PRO 60 Ca -0.08 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.81 1x40 s PRO 60 Cb 0.01 -3.16 -0.25 0.00 0.04 0.00 0.00 34.50 31.14 1x40 s PRO 60 CO 0.23 -0.14 0.57 1.15 0.04 0.00 0.00 177.00 178.85 1x40 h THR 61 N 3.40 1.26 -1.65 1.26 2.02 -2.01 -3.34 112.91 113.85 1x40 h THR 61 Ca -0.46 -2.35 0.48 0.00 0.77 0.00 0.00 66.41 64.85 1x40 h THR 61 Cb 1.22 2.83 -0.07 0.00 -1.74 0.00 0.00 68.15 70.38 1x40 h THR 61 CO 0.71 0.58 1.19 0.61 0.37 0.00 0.00 175.52 178.98 1x40 n GLY 62 N 1.62 -0.83 0.14 2.16 0.00 -1.26 0.23 105.19 107.25 1x40 n GLY 62 Ca -0.22 0.58 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 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 0.75 -0.26 1.61 -0.00 -1.99 -3.31 115.15 111.96 1x40 h HIS 63 Ca 0.79 -0.55 0.06 0.00 -0.00 0.00 0.00 60.37 60.67 1x40 h HIS 63 Cb 3.16 -0.03 -0.08 0.00 -0.00 0.00 0.00 27.41 30.46 1x40 h HIS 63 CO -0.00 1.57 -0.41 0.00 -0.00 0.00 0.00 177.93 179.09 1x40 h ARG 64 N -0.01 -0.39 -0.56 2.45 3.08 0.27 -0.05 114.38 119.17 1x40 h ARG 64 Ca -0.28 0.03 0.11 0.00 0.07 0.00 0.00 59.98 59.90 1x40 h ARG 64 Cb 2.01 0.09 -0.09 0.00 0.08 0.00 0.00 29.97 32.06 1x40 h ARG 64 CO 0.19 -0.26 0.05 0.00 -1.07 0.00 0.00 179.97 178.89 1x40 h ARG 65 N -0.41 0.17 -0.87 0.04 3.08 -1.66 0.54 114.38 115.28 1x40 h ARG 65 Ca 0.11 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.21 1x40 h ARG 65 Cb 0.60 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.56 1x40 h ARG 65 CO -0.47 0.11 0.57 -0.09 -1.07 0.00 0.00 179.97 179.02 1x40 h ARG 66 N 0.17 0.96 0.26 0.04 2.43 -1.33 0.21 114.38 117.11 1x40 h ARG 66 Ca 0.29 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1x40 h ARG 66 Cb 0.44 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1x40 h ARG 66 CO -0.43 0.63 -0.12 0.82 -1.51 0.00 0.00 179.97 179.37 1x40 h ILE 67 N 0.99 0.76 0.04 1.20 2.04 0.84 -3.12 117.51 120.26 1x40 h ILE 67 Ca 0.37 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1x40 h ILE 67 Cb 0.19 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1x40 h ILE 67 CO -0.13 0.14 -0.06 -0.07 0.00 0.00 0.00 178.15 178.03 1x40 h LEU 68 N -0.75 -0.17 -1.00 1.44 3.38 -0.79 -2.21 115.31 115.20 1x40 h LEU 68 Ca -0.04 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1x40 h LEU 68 Cb 0.50 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.19 1x40 h LEU 68 CO 0.06 -0.10 -0.55 0.50 0.09 0.00 0.00 178.44 178.44 1x40 h LYS 69 N -0.13 -0.00 0.06 1.13 1.63 -0.67 0.93 116.57 119.51 1x40 h LYS 69 Ca 0.01 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1x40 h LYS 69 Cb 0.14 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1x40 h LYS 69 CO -0.04 -0.00 -0.10 1.96 -3.45 0.00 0.00 179.45 177.83 1x40 h GLN 70 N -0.00 -0.19 -0.92 1.90 1.08 -1.46 -2.36 115.11 113.15 1x40 h GLN 70 Ca 0.19 0.01 0.25 0.00 -1.45 0.00 0.00 58.65 57.66 1x40 h GLN 70 Cb 0.45 0.04 -0.14 0.00 -0.05 0.00 0.00 27.48 27.78 1x40 h GLN 70 CO -0.95 -0.13 0.37 -0.07 -0.95 0.00 0.00 178.83 177.11 1x40 h LEU 71 N -0.20 0.24 -0.19 1.46 3.38 -0.30 0.29 115.31 119.98 1x40 h LEU 71 Ca 0.02 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1x40 h LEU 71 Cb 0.21 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1x40 h LEU 71 CO -0.06 -0.10 0.10 1.56 0.09 0.00 0.00 178.44 180.04 1x40 h GLN 72 N 0.30 0.27 -0.65 1.13 1.08 -0.41 0.30 115.11 117.13 1x40 h GLN 72 Ca 0.60 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.71 1x40 h GLN 72 Cb 1.24 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.59 1x40 h GLN 72 CO -0.60 0.26 0.18 0.82 -0.95 0.00 0.00 178.83 178.54 1x40 h ILE 73 N 0.20 1.25 0.30 2.54 2.04 -0.42 -1.89 117.51 121.53 1x40 h ILE 73 Ca 0.07 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1x40 h ILE 73 Cb 0.07 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1x40 h ILE 73 CO -0.01 0.34 -0.14 0.40 0.00 0.00 0.00 178.15 178.74 1x40 h ILE 74 N 0.95 0.00 -0.83 -0.67 2.04 -0.38 -3.00 117.51 115.62 1x40 h ILE 74 Ca 0.21 -0.24 0.17 0.00 1.00 0.00 0.00 64.86 66.00 1x40 h ILE 74 Cb 0.33 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.25 1x40 h ILE 74 CO -0.00 0.00 -0.17 -0.07 0.00 0.00 0.00 178.15 177.91 1x40 h LEU 75 N -0.64 -0.70 -1.11 1.44 3.38 -0.48 0.66 115.31 117.85 1x40 h LEU 75 Ca -0.04 0.24 0.19 0.00 0.09 0.00 0.00 57.88 58.36 1x40 h LEU 75 Cb 0.31 0.49 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 1x40 h LEU 75 CO 0.07 -0.27 0.61 -1.28 0.09 0.00 0.00 178.44 177.67 1x40 h SER 76 N 0.01 0.73 0.02 -0.43 0.87 -1.42 -1.64 113.55 111.69 1x40 h SER 76 Ca 0.41 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 61.05 1x40 h SER 76 Cb 0.65 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1x40 h SER 76 CO -0.83 0.27 -0.01 0.11 -0.53 0.00 0.00 176.83 175.84 1x40 h LYS 77 N 0.71 -0.03 -4.61 2.24 1.57 0.44 -3.42 116.57 113.46 1x40 h LYS 77 Ca 0.55 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.95 1x40 h LYS 77 Cb 0.93 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.15 1x40 h LYS 77 CO -0.33 0.39 1.76 -1.33 -0.57 0.00 0.00 179.45 179.37 1x40 n MET 78 N -4.90 0.00 -3.82 3.15 2.81 -0.62 -4.82 117.12 108.92 1x40 n MET 78 Ca -0.08 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.69 1x40 n MET 78 Cb 0.23 -1.13 -0.09 0.00 -0.71 0.00 0.00 33.22 31.51 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 7.30 0.59 -0.66 0.03 -0.21 -1.26 -5.01 119.66 120.44 1x40 s GLN 79 Ca 1.23 -0.36 -0.01 0.00 0.02 0.00 0.00 55.36 56.24 1x40 s GLN 79 Cb -0.96 0.25 0.43 0.00 1.00 0.00 0.00 33.01 33.74 1x40 s GLN 79 CO 0.49 -0.16 1.93 -3.47 -2.12 0.00 0.00 175.29 171.97 1x40 n ASP 80 N 1.24 7.34 -4.75 5.90 2.03 -1.26 -4.98 116.55 122.07 1x40 n ASP 80 Ca -0.22 -3.79 -0.31 0.00 0.52 0.00 0.00 54.79 50.99 1x40 n ASP 80 Cb 0.56 -0.92 -0.07 0.00 -0.72 0.00 0.00 41.12 39.97 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 -4.87 4.42 0.75 5.18 -4.36 -1.26 -5.11 121.20 115.95 1x40 s ILE 81 Ca 0.61 -0.78 -0.11 0.00 -0.26 0.00 0.00 60.65 60.10 1x40 s ILE 81 Cb 0.48 -3.11 0.05 0.00 1.25 0.00 0.00 42.46 41.13 1x40 s ILE 81 CO -0.09 0.15 1.10 -2.16 0.24 0.00 0.00 174.94 174.18 1x40 s PRO 82 N -2.29 2.35 -0.14 0.37 0.04 -1.26 -4.98 135.00 129.10 1x40 s PRO 82 Ca 0.28 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.24 1x40 s PRO 82 Cb -0.12 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1x40 s PRO 82 CO 0.20 -1.57 1.16 0.42 0.04 0.00 0.00 177.00 177.25 1x40 s ILE 83 N -2.79 4.43 -0.26 0.56 1.09 -1.26 -5.01 121.20 117.97 1x40 s ILE 83 Ca 0.62 1.73 -0.02 0.00 -1.10 0.00 0.00 60.65 61.88 1x40 s ILE 83 Cb -0.18 -4.11 0.08 0.00 -1.06 0.00 0.00 42.46 37.19 1x40 s ILE 83 CO 0.53 -0.08 0.07 -0.31 -0.10 0.00 0.00 174.94 175.05 1x40 s TYR 84 N 2.83 1.27 -0.18 3.97 1.51 -1.26 -5.09 117.35 120.39 1x40 s TYR 84 Ca 0.52 -1.28 -0.04 0.00 -1.01 0.00 0.00 57.07 55.26 1x40 s TYR 84 Cb -0.21 -1.33 0.09 0.00 -0.11 0.00 0.00 41.96 40.40 1x40 s TYR 84 CO 0.16 -0.77 0.25 0.00 -1.11 0.00 0.00 175.55 174.08 1x40 s ALA 85 N 1.77 -0.46 0.34 3.71 0.00 -1.26 -5.16 121.76 120.70 1x40 s ALA 85 Ca 0.05 0.55 0.08 0.00 0.00 0.00 0.00 51.96 52.64 1x40 s ALA 85 Cb -0.17 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 1x40 s ALA 85 CO -0.20 -1.03 0.17 -1.54 0.00 0.00 0.00 175.76 173.17 1x40 s SER 86 N 2.38 4.81 0.00 0.00 1.04 -1.26 -5.15 113.70 115.53 1x40 s SER 86 Ca 0.06 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1x40 s SER 86 Cb -0.14 -0.78 0.00 0.00 0.10 0.00 0.00 66.02 65.19 1x40 s SER 86 CO -0.11 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1x40 n GLY 87 N -1.20 1.62 3.59 7.32 0.00 -1.26 -5.01 105.19 110.27 1x40 n GLY 87 Ca -0.03 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 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 2.84 3.30 -0.28 1.61 0.04 -1.26 -4.94 135.00 136.30 1x40 s PRO 88 Ca 0.00 1.22 -0.19 0.00 0.04 0.00 0.00 61.00 62.06 1x40 s PRO 88 Cb 0.00 -4.18 0.12 0.00 0.04 0.00 0.00 34.50 30.47 1x40 s PRO 88 CO 0.00 -1.90 0.90 -1.54 0.04 0.00 0.00 177.00 174.50 1x40 s SER 89 N 5.86 -0.62 -0.23 6.66 1.04 -1.26 -5.07 113.70 120.07 1x40 s SER 89 Ca 0.74 1.06 -0.17 0.00 0.48 0.00 0.00 55.95 58.06 1x40 s SER 89 Cb -0.19 1.19 -0.14 0.00 0.10 0.00 0.00 66.02 66.98 1x40 s SER 89 CO 0.32 -0.17 -0.10 -1.20 0.98 0.00 0.00 173.24 173.07 1x40 n SER 90 N 3.34 1.90 0.00 7.02 7.64 -1.26 -5.20 113.62 127.06 1x40 n SER 90 Ca -0.17 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1x40 n SER 90 Cb 0.57 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1x40 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64