#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 -0.27 -0.12 1.61 0.01 -1.26 -5.18 113.70 108.49 1x40 s SER 2 Ca 0.00 -0.47 -0.18 0.00 1.31 0.00 0.00 55.95 56.61 1x40 s SER 2 Cb 0.00 0.59 0.04 0.00 0.21 0.00 0.00 66.02 66.86 1x40 s SER 2 CO 0.00 -1.07 0.46 -0.55 0.41 0.00 0.00 173.24 172.50 1x40 s SER 3 N -2.87 -0.44 0.00 2.44 0.15 -1.26 -5.10 113.70 106.62 1x40 s SER 3 Ca 0.09 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1x40 s SER 3 Cb -0.01 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1x40 s SER 3 CO -0.03 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1x40 n GLY 4 N 2.13 -1.23 3.88 9.45 0.00 -1.26 -5.15 105.19 113.00 1x40 n GLY 4 Ca -0.16 0.59 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 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 2.00 6.60 -0.09 1.61 1.04 -1.26 -5.09 113.70 118.50 1x40 s SER 5 Ca 0.00 0.97 -0.03 0.00 0.48 0.00 0.00 55.95 57.37 1x40 s SER 5 Cb 0.00 -2.25 0.04 0.00 0.10 0.00 0.00 66.02 63.92 1x40 s SER 5 CO 0.00 -0.17 0.09 -0.94 0.98 0.00 0.00 173.24 173.20 1x40 s SER 6 N -2.64 1.44 -0.28 7.02 1.04 -1.26 -4.84 113.70 114.17 1x40 s SER 6 Ca 0.48 -0.10 -0.10 0.00 0.48 0.00 0.00 55.95 56.72 1x40 s SER 6 Cb -0.11 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 1x40 s SER 6 CO 0.24 -0.28 0.16 -0.83 0.98 0.00 0.00 173.24 173.51 1x40 s GLY 7 N 2.19 1.88 -0.09 7.32 0.00 -1.26 -4.97 107.32 112.39 1x40 s GLY 7 Ca 0.04 -1.18 -0.26 0.00 0.00 0.00 0.00 44.72 43.31 1x40 s GLY 7 CO -0.06 0.64 0.92 -0.33 0.00 0.00 0.00 173.10 174.28 1x40 h MET 8 N 8.35 0.09 -6.06 2.90 0.00 -2.07 -3.46 114.93 114.68 1x40 h MET 8 Ca -0.35 -0.12 -0.57 0.00 0.00 0.00 0.00 59.70 58.66 1x40 h MET 8 Cb 1.18 0.04 -0.03 0.00 0.00 0.00 0.00 31.60 32.78 1x40 h MET 8 CO 0.58 0.95 -0.42 -1.54 0.00 0.00 0.00 176.91 176.48 1x40 s SER 9 N -6.29 6.38 0.11 1.22 1.04 -1.26 -5.11 113.70 109.80 1x40 s SER 9 Ca -0.17 0.32 -0.25 0.00 0.48 0.00 0.00 55.95 56.34 1x40 s SER 9 Cb -0.01 -1.98 0.08 0.00 0.10 0.00 0.00 66.02 64.21 1x40 s SER 9 CO 0.72 0.07 0.67 -0.94 0.98 0.00 0.00 173.24 174.74 1x40 s SER 10 N -2.85 -0.53 -0.17 7.02 1.04 -1.26 -5.07 113.70 111.88 1x40 s SER 10 Ca 0.37 0.05 0.09 0.00 0.48 0.00 0.00 55.95 56.94 1x40 s SER 10 Cb -0.12 0.55 -0.17 0.00 0.10 0.00 0.00 66.02 66.39 1x40 s SER 10 CO 0.28 -0.87 -0.04 0.55 0.98 0.00 0.00 173.24 174.14 1x40 n VAL 11 N -0.26 1.09 -3.57 5.02 3.14 -1.26 -4.90 118.33 117.58 1x40 n VAL 11 Ca -0.15 -0.56 -0.40 0.00 -2.96 0.00 0.00 64.34 60.26 1x40 n VAL 11 Cb 0.64 -0.84 -0.11 0.00 -1.06 0.00 0.00 33.84 32.47 1x40 n VAL 11 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1x40 s SER 12 N -5.30 5.82 0.06 6.55 0.15 -1.26 -5.07 113.70 114.65 1x40 s SER 12 Ca -0.15 -0.70 -0.29 0.00 0.70 0.00 0.00 55.95 55.51 1x40 s SER 12 Cb 0.05 -2.07 -0.05 0.00 -1.71 0.00 0.00 66.02 62.25 1x40 s SER 12 CO 0.56 -0.30 0.93 -1.83 1.20 0.00 0.00 173.24 173.79 1x40 s GLU 13 N 1.63 4.61 -0.39 5.44 -1.05 -1.26 -4.78 118.70 122.90 1x40 s GLU 13 Ca 0.04 1.36 0.05 0.00 -0.15 0.00 0.00 54.97 56.28 1x40 s GLU 13 Cb -0.18 -3.41 0.52 0.00 -0.44 0.00 0.00 34.13 30.62 1x40 s GLU 13 CO 0.08 0.13 1.61 1.55 0.95 0.00 0.00 175.26 179.58 1x40 n VAL 14 N 3.21 2.88 -4.14 1.83 3.14 -1.26 -5.00 118.33 119.00 1x40 n VAL 14 Ca 0.03 -2.92 -0.26 0.00 -2.96 0.00 0.00 64.34 58.23 1x40 n VAL 14 Cb 0.50 -0.66 -0.06 0.00 -1.06 0.00 0.00 33.84 32.56 1x40 n VAL 14 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1x40 s ASN 15 N -2.38 5.23 0.06 6.55 2.47 -1.26 -4.89 114.94 120.71 1x40 s ASN 15 Ca 0.52 -0.25 0.04 0.00 0.42 0.00 0.00 52.86 53.59 1x40 s ASN 15 Cb 0.44 -1.27 -0.03 0.00 -1.45 0.00 0.00 41.25 38.94 1x40 s ASN 15 CO 0.02 0.06 -0.12 0.68 -3.72 0.00 0.00 177.10 174.02 1x40 s VAL 16 N -1.80 0.93 0.20 -5.21 -7.23 -1.26 -5.05 120.40 100.99 1x40 s VAL 16 Ca 0.30 -1.23 -0.31 0.00 -1.81 0.00 0.00 61.98 58.92 1x40 s VAL 16 Cb -0.09 -0.92 -0.10 0.00 0.56 0.00 0.00 36.38 35.82 1x40 s VAL 16 CO 0.22 -0.28 1.57 -0.62 -0.31 0.00 0.00 175.10 175.68 1x40 s ASP 17 N -1.69 6.54 0.57 4.85 2.15 -1.26 -2.11 116.67 125.72 1x40 s ASP 17 Ca -0.05 2.70 0.43 0.00 0.43 0.00 0.00 52.55 56.07 1x40 s ASP 17 Cb -0.10 -2.60 1.50 0.00 -0.30 0.00 0.00 42.92 41.41 1x40 s ASP 17 CO 0.02 -0.83 1.52 -0.29 -0.17 0.00 0.00 175.17 175.41 1x40 h ILE 18 N 3.82 0.03 0.84 4.11 6.09 -0.75 0.18 117.51 131.83 1x40 h ILE 18 Ca -0.44 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.01 1x40 h ILE 18 Cb 1.21 0.04 0.01 0.00 0.47 0.00 0.00 36.82 38.55 1x40 h ILE 18 CO 0.88 0.00 -0.40 0.50 -3.07 0.00 0.00 178.15 176.06 1x40 h LYS 19 N 0.00 -1.09 -0.97 2.19 1.63 -1.88 -2.03 116.57 114.43 1x40 h LYS 19 Ca 0.78 0.07 0.23 0.00 -0.85 0.00 0.00 60.65 60.89 1x40 h LYS 19 Cb 3.42 0.25 -0.08 0.00 -0.60 0.00 0.00 32.23 35.22 1x40 h LYS 19 CO -0.01 -0.72 0.64 0.22 -3.45 0.00 0.00 179.45 176.13 1x40 h ASP 20 N -1.24 0.42 0.44 4.20 3.58 -1.01 0.62 116.42 123.43 1x40 h ASP 20 Ca -0.12 0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.31 1x40 h ASP 20 Cb 0.86 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 1x40 h ASP 20 CO 0.19 0.13 -0.38 0.15 -2.88 0.00 0.00 179.24 176.45 1x40 h PHE 21 N 0.40 0.00 0.00 0.28 3.57 -1.30 -2.54 116.94 117.35 1x40 h PHE 21 Ca 0.52 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.91 1x40 h PHE 21 Cb 1.34 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 1x40 h PHE 21 CO -0.00 0.38 -0.66 -0.07 -2.23 0.00 0.00 178.31 175.73 1x40 h LEU 22 N 0.00 0.00 -1.98 0.59 3.38 0.81 -3.35 115.31 114.75 1x40 h LEU 22 Ca -0.00 -0.58 0.22 0.00 0.09 0.00 0.00 57.88 57.61 1x40 h LEU 22 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1x40 h LEU 22 CO 0.05 1.17 0.58 0.24 0.09 0.00 0.00 178.44 180.57 1x40 h MET 23 N -1.00 0.00 -0.55 1.13 2.86 -0.61 0.41 114.93 117.17 1x40 h MET 23 Ca -0.17 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1x40 h MET 23 Cb 1.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 1x40 h MET 23 CO -0.10 0.00 0.20 0.77 1.06 0.00 0.00 176.91 178.84 1x40 h SER 24 N 0.00 0.77 -0.13 1.22 0.02 -1.58 -2.73 113.55 111.11 1x40 h SER 24 Ca 0.37 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1x40 h SER 24 Cb 1.53 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1x40 h SER 24 CO -0.00 0.74 0.00 2.30 -1.14 0.00 0.00 176.83 178.72 1x40 n ILE 25 N -4.50 0.14 -2.92 3.27 -5.35 0.26 -4.96 119.36 105.31 1x40 n ILE 25 Ca 0.02 -0.52 -0.11 0.00 -0.27 0.00 0.00 62.75 61.88 1x40 n ILE 25 Cb 0.17 1.14 0.05 0.00 -1.74 0.00 0.00 39.64 39.26 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 1.15 -3.17 -1.23 7.28 4.13 0.12 -4.96 115.26 118.57 1x40 n ASN 26 Ca 0.16 -0.31 -0.01 0.00 1.68 0.00 0.00 54.58 56.10 1x40 n ASN 26 Cb 0.55 -2.94 0.12 0.00 -1.54 0.00 0.00 39.78 35.97 1x40 n ASN 26 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x40 n LEU 27 N -2.78 2.79 0.00 3.41 7.99 -0.21 -4.76 117.00 123.44 1x40 n LEU 27 Ca -0.08 -3.68 0.05 0.00 -0.01 0.00 0.00 56.01 52.30 1x40 n LEU 27 Cb 0.56 -0.32 0.24 0.00 -0.11 0.00 0.00 43.42 43.79 1x40 n LEU 27 CO 0.33 1.37 0.67 -1.84 -1.51 0.00 0.00 177.39 176.41 1x40 n GLU 28 N -0.70 0.00 0.15 3.23 0.28 -1.26 -2.21 120.64 120.14 1x40 n GLU 28 Ca 0.21 0.32 0.12 0.00 -0.16 0.00 0.00 57.16 57.65 1x40 n GLU 28 Cb 0.84 -1.51 0.54 0.00 1.43 0.00 0.00 31.44 32.75 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 -0.41 3.44 3.07 -1.95 -1.20 115.11 118.05 1x40 h GLN 29 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1x40 h GLN 29 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.75 1x40 h GLN 29 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 1x40 n TYR 30 N -2.29 0.54 0.12 0.06 4.01 -0.94 -4.63 117.16 114.03 1x40 n TYR 30 Ca 0.01 -0.34 -0.15 0.00 -0.16 0.00 0.00 57.90 57.26 1x40 n TYR 30 Cb 0.17 -0.01 -0.09 0.00 -0.31 0.00 0.00 39.34 39.10 1x40 n TYR 30 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1x40 h LEU 31 N 3.53 -1.40 -1.42 7.72 5.85 -1.38 -0.42 115.31 127.79 1x40 h LEU 31 Ca 0.00 0.14 0.16 0.00 0.84 0.00 0.00 57.88 59.02 1x40 h LEU 31 Cb 0.86 0.51 -0.06 0.00 0.37 0.00 0.00 40.66 42.33 1x40 h LEU 31 CO 0.00 -0.51 0.56 0.25 -0.34 0.00 0.00 178.44 178.40 1x40 h LEU 32 N -0.71 0.52 -1.17 2.25 7.12 -1.82 0.38 115.31 121.89 1x40 h LEU 32 Ca -0.01 0.04 -0.05 0.00 0.13 0.00 0.00 57.88 57.99 1x40 h LEU 32 Cb 0.69 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.74 1x40 h LEU 32 CO -0.23 0.25 0.07 0.45 -0.13 0.00 0.00 178.44 178.85 1x40 h HIS 33 N 0.55 0.67 0.05 1.25 3.86 -1.54 -1.62 115.15 118.37 1x40 h HIS 33 Ca 0.43 -0.06 -0.28 0.00 -1.16 0.00 0.00 60.37 59.31 1x40 h HIS 33 Cb 0.86 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.11 1x40 h HIS 33 CO -0.00 0.60 -1.44 0.74 0.86 0.00 0.00 177.93 178.69 1x40 h PHE 34 N 0.63 0.20 0.72 2.45 0.04 0.79 -3.14 116.94 118.63 1x40 h PHE 34 Ca 0.14 -0.15 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1x40 h PHE 34 Cb 0.29 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.44 1x40 h PHE 34 CO 0.01 1.18 -0.35 0.45 -0.60 0.00 0.00 178.31 179.00 1x40 h HIS 35 N 0.03 -0.90 0.00 -0.55 3.86 -0.14 0.19 115.15 117.64 1x40 h HIS 35 Ca -0.19 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 58.99 1x40 h HIS 35 Cb 1.95 0.30 -0.00 0.00 1.06 0.00 0.00 27.41 30.71 1x40 h HIS 35 CO 0.03 -0.54 -0.04 0.93 0.86 0.00 0.00 177.93 179.17 1x40 h GLU 36 N -1.13 0.00 0.00 2.45 5.08 -1.47 -0.31 114.58 119.20 1x40 h GLU 36 Ca -0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1x40 h GLU 36 Cb 0.77 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1x40 h GLU 36 CO 0.16 0.04 -0.00 1.03 -1.00 0.00 0.00 179.01 179.24 1x40 h SER 37 N 0.00 0.00 0.00 1.42 0.87 -1.45 -3.46 113.55 110.92 1x40 h SER 37 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x40 h SER 37 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1x40 h SER 37 CO 0.01 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.92 1x40 n GLY 38 N 0.35 1.96 3.04 5.77 0.00 -0.13 -5.07 105.19 111.11 1x40 n GLY 38 Ca 0.02 0.00 -0.33 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 3.63 -0.09 1.61 0.08 0.62 -4.93 117.98 116.90 1x40 s PHE 39 Ca 0.00 -2.85 -0.01 0.00 0.12 0.00 0.00 56.93 54.19 1x40 s PHE 39 Cb 0.00 -3.02 -0.25 0.00 -0.57 0.00 0.00 43.02 39.18 1x40 s PHE 39 CO 0.00 -0.92 0.49 1.79 -0.10 0.00 0.00 175.22 176.47 1x40 h THR 40 N 6.32 0.72 -2.30 0.64 1.35 -1.89 -3.36 112.91 114.40 1x40 h THR 40 Ca -0.07 -2.47 -0.55 0.00 -0.55 0.00 0.00 66.41 62.77 1x40 h THR 40 Cb 1.01 2.50 -0.13 0.00 -1.73 0.00 0.00 68.15 69.79 1x40 h THR 40 CO 0.60 0.77 -0.57 0.42 -0.25 0.00 0.00 175.52 176.50 1x40 s THR 41 N -2.57 1.09 0.24 6.82 -4.23 -1.26 -0.11 115.64 115.62 1x40 s THR 41 Ca -0.16 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.35 1x40 s THR 41 Cb 0.07 -2.59 0.02 0.00 1.34 0.00 0.00 72.50 71.33 1x40 s THR 41 CO 0.79 0.00 1.63 0.58 -0.54 0.00 0.00 174.62 177.08 1x40 h VAL 42 N 1.87 1.30 -0.73 2.29 2.07 -1.73 -2.97 116.25 118.34 1x40 h VAL 42 Ca -0.40 -1.51 0.01 0.00 0.82 0.00 0.00 66.70 65.62 1x40 h VAL 42 Cb 1.26 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 1x40 h VAL 42 CO 0.68 0.47 0.48 0.50 0.02 0.00 0.00 177.57 179.72 1x40 h LYS 43 N 0.43 0.96 0.00 1.57 3.64 -1.97 0.30 116.57 121.50 1x40 h LYS 43 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1x40 h LYS 43 Cb 0.85 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1x40 h LYS 43 CO 0.07 0.64 0.00 -3.47 -2.27 0.00 0.00 179.45 174.42 1x40 n ASP 44 N -4.42 0.00 -1.06 4.20 -0.08 -1.12 -1.79 116.55 112.28 1x40 n ASP 44 Ca 0.08 -0.08 0.10 0.00 -1.51 0.00 0.00 54.79 53.38 1x40 n ASP 44 Cb 0.04 -0.20 0.27 0.00 2.34 0.00 0.00 41.12 43.56 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 4.17 1.49 0.00 0.00 0.00 -1.46 -0.32 119.26 123.14 1x40 h ALA 46 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1x40 h ALA 46 Cb 0.80 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1x40 h ALA 46 CO 0.00 -0.17 -1.74 0.00 0.00 0.00 0.00 179.25 177.33 1x40 n ALA 47 N -2.21 1.99 -1.70 0.00 0.00 -1.26 -4.94 120.51 112.39 1x40 n ALA 47 Ca -0.01 -0.72 -0.43 0.00 0.00 0.00 0.00 53.44 52.28 1x40 n ALA 47 Cb 0.22 -0.74 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 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 -2.74 1.50 -4.14 0.00 5.41 -0.13 -4.99 119.36 114.26 1x40 n ILE 48 Ca -0.14 -0.37 -0.09 0.00 1.00 0.00 0.00 62.75 63.14 1x40 n ILE 48 Cb 0.87 -1.62 -0.10 0.00 -0.71 0.00 0.00 39.64 38.07 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 0.03 0.44 0.25 4.38 4.22 -1.26 -4.97 114.94 118.02 1x40 s ASN 49 Ca 0.61 -1.14 0.03 0.00 -2.14 0.00 0.00 52.86 50.22 1x40 s ASN 49 Cb -0.58 0.25 0.65 0.00 1.28 0.00 0.00 41.25 42.86 1x40 s ASN 49 CO 0.56 -0.68 1.23 0.47 -2.04 0.00 0.00 177.10 176.64 1x40 n ASP 50 N -0.05 -0.05 -0.10 3.54 9.92 -1.26 0.18 116.55 128.73 1x40 n ASP 50 Ca -0.08 1.32 -0.10 0.00 -0.53 0.00 0.00 54.79 55.40 1x40 n ASP 50 Cb 0.63 -0.50 -0.03 0.00 -0.64 0.00 0.00 41.12 40.58 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 0.46 -0.56 -2.24 0.02 -1.98 -2.89 113.55 106.36 1x40 h SER 51 Ca 0.50 -0.22 0.10 0.00 -0.84 0.00 0.00 61.79 61.33 1x40 h SER 51 Cb 1.07 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 63.41 1x40 h SER 51 CO -0.72 0.56 0.08 0.25 -1.14 0.00 0.00 176.83 175.86 1x40 h LEU 52 N 0.34 -0.07 0.21 5.07 7.12 0.15 0.33 115.31 128.46 1x40 h LEU 52 Ca 0.10 0.11 0.01 0.00 0.13 0.00 0.00 57.88 58.23 1x40 h LEU 52 Cb 0.27 0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.54 1x40 h LEU 52 CO -0.00 -0.02 -0.31 -0.07 -0.13 0.00 0.00 178.44 177.91 1x40 h LEU 53 N 0.21 -0.87 -0.03 2.25 -0.00 -1.21 0.42 115.31 116.08 1x40 h LEU 53 Ca 0.29 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 58.26 1x40 h LEU 53 Cb 0.43 0.31 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1x40 h LEU 53 CO -0.40 -0.42 0.00 0.00 -0.00 0.00 0.00 178.44 177.62 1x40 n GLN 54 N -5.42 0.01 -0.00 1.13 10.64 -0.88 -2.55 117.38 120.31 1x40 n GLN 54 Ca -0.08 0.28 -0.22 0.00 -1.83 0.00 0.00 57.00 55.15 1x40 n GLN 54 Cb 0.33 -1.51 -0.14 0.00 -0.86 0.00 0.00 30.24 28.05 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 0.25 0.00 2.61 3.11 0.14 -3.36 116.57 119.33 1x40 h LYS 55 Ca 0.00 -0.43 -0.02 0.00 -2.81 0.00 0.00 60.65 57.39 1x40 h LYS 55 Cb 0.23 0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1x40 h LYS 55 CO 0.00 1.21 -0.10 -0.84 -2.81 0.00 0.00 179.45 176.91 1x40 h ILE 56 N -0.02 1.02 0.00 2.00 3.07 0.00 -3.46 117.51 120.12 1x40 h ILE 56 Ca -0.41 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 65.66 1x40 h ILE 56 Cb 1.98 1.19 0.00 0.00 -0.27 0.00 0.00 36.82 39.71 1x40 h ILE 56 CO 0.07 0.10 0.00 0.61 -1.05 0.00 0.00 178.15 177.87 1x40 n GLY 57 N -1.22 1.85 3.18 0.16 0.00 -1.18 -4.98 105.19 103.00 1x40 n GLY 57 Ca -0.03 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.05 -4.76 119.36 118.51 1x40 n ILE 58 Ca 0.00 -0.23 -0.10 0.00 1.00 0.00 0.00 62.75 63.42 1x40 n ILE 58 Cb 0.00 -0.22 -0.06 0.00 -0.71 0.00 0.00 39.64 38.65 1x40 n ILE 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1x40 h SER 59 N 10.44 -0.39 -2.99 4.38 0.02 -1.88 -3.37 113.55 119.76 1x40 h SER 59 Ca -0.00 -0.12 -0.53 0.00 -0.84 0.00 0.00 61.79 60.29 1x40 h SER 59 Cb 1.11 0.10 0.02 0.00 0.14 0.00 0.00 62.40 63.76 1x40 h SER 59 CO 1.37 0.06 0.74 -2.16 -1.14 0.00 0.00 176.83 175.71 1x40 s PRO 60 N -3.65 4.32 0.10 3.45 0.04 -1.26 -4.94 135.00 133.06 1x40 s PRO 60 Ca -0.11 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 1x40 s PRO 60 Cb 0.01 -3.34 -0.13 0.00 0.04 0.00 0.00 34.50 31.08 1x40 s PRO 60 CO 0.37 -0.46 1.34 1.15 0.04 0.00 0.00 177.00 179.44 1x40 h THR 61 N 4.45 1.30 -1.71 1.26 2.02 -2.01 -3.18 112.91 115.03 1x40 h THR 61 Ca -0.41 -1.76 0.52 0.00 0.77 0.00 0.00 66.41 65.53 1x40 h THR 61 Cb 1.20 1.83 -0.10 0.00 -1.74 0.00 0.00 68.15 69.35 1x40 h THR 61 CO 0.87 0.56 1.19 1.23 0.37 0.00 0.00 175.52 179.74 1x40 h GLY 62 N 0.47 0.54 1.43 2.16 0.00 -1.99 1.46 103.07 107.14 1x40 h GLY 62 Ca -0.01 -0.04 -0.27 0.00 0.00 0.00 0.00 47.33 47.01 1x40 h GLY 62 CO 0.12 -0.18 -1.17 0.45 0.00 0.00 0.00 176.54 175.75 1x40 h HIS 63 N 0.01 0.76 0.72 5.60 -0.00 -1.97 -3.27 115.15 117.00 1x40 h HIS 63 Ca 0.90 -0.48 -0.03 0.00 -0.00 0.00 0.00 60.37 60.76 1x40 h HIS 63 Cb 3.34 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 30.69 1x40 h HIS 63 CO -0.00 1.34 -0.40 0.00 -0.00 0.00 0.00 177.93 178.86 1x40 h ARG 64 N 0.20 -1.00 -0.96 2.45 3.08 0.19 -0.03 114.38 118.31 1x40 h ARG 64 Ca -0.15 0.07 0.27 0.00 0.07 0.00 0.00 59.98 60.24 1x40 h ARG 64 Cb 1.85 0.23 -0.14 0.00 0.08 0.00 0.00 29.97 31.99 1x40 h ARG 64 CO 0.21 -0.67 0.48 0.00 -1.07 0.00 0.00 179.97 178.92 1x40 h ARG 65 N -1.04 0.37 -0.30 0.04 3.08 -1.56 0.49 114.38 115.45 1x40 h ARG 65 Ca -0.09 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.78 1x40 h ARG 65 Cb 0.82 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1x40 h ARG 65 CO 0.12 0.25 -0.44 -0.09 -1.07 0.00 0.00 179.97 178.74 1x40 h ARG 66 N 0.38 0.78 0.36 0.04 2.43 -1.52 -1.57 114.38 115.27 1x40 h ARG 66 Ca 0.64 -0.43 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1x40 h ARG 66 Cb 1.34 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1x40 h ARG 66 CO -0.57 1.06 -0.17 0.82 -1.51 0.00 0.00 179.97 179.60 1x40 h ILE 67 N 0.62 0.57 0.44 1.20 2.04 0.17 -3.10 117.51 119.46 1x40 h ILE 67 Ca 0.04 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1x40 h ILE 67 Cb 1.01 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1x40 h ILE 67 CO 0.10 0.10 -0.35 -0.07 0.00 0.00 0.00 178.15 177.93 1x40 h LEU 68 N -0.86 -0.91 -0.84 1.44 3.38 -0.58 -1.71 115.31 115.23 1x40 h LEU 68 Ca -0.05 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1x40 h LEU 68 Cb 0.53 0.29 -0.10 0.00 0.09 0.00 0.00 40.66 41.47 1x40 h LEU 68 CO 0.08 -0.51 -0.48 1.17 0.09 0.00 0.00 178.44 178.79 1x40 n LYS 69 N -5.47 -0.36 0.03 1.13 4.81 -0.59 -0.06 118.16 117.65 1x40 n LYS 69 Ca -0.11 1.27 -0.11 0.00 -0.87 0.00 0.00 58.31 58.49 1x40 n LYS 69 Cb 0.36 -1.86 -0.05 0.00 0.02 0.00 0.00 35.03 33.50 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 -0.07 -0.67 1.64 1.08 -1.44 -2.42 115.11 113.23 1x40 h GLN 70 Ca 0.15 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.48 1x40 h GLN 70 Cb 0.36 0.02 -0.13 0.00 -0.05 0.00 0.00 27.48 27.67 1x40 h GLN 70 CO -0.79 -0.04 -0.25 -0.07 -0.95 0.00 0.00 178.83 176.72 1x40 h LEU 71 N -0.07 -0.90 0.18 1.46 3.38 0.49 0.26 115.31 120.11 1x40 h LEU 71 Ca 0.03 0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.24 1x40 h LEU 71 Cb 0.12 0.51 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1x40 h LEU 71 CO -0.08 -0.27 -0.23 1.56 0.09 0.00 0.00 178.44 179.52 1x40 h GLN 72 N -0.07 -0.44 -0.94 1.13 4.20 -0.70 0.56 115.11 118.86 1x40 h GLN 72 Ca 0.30 0.03 0.11 0.00 0.06 0.00 0.00 58.65 59.15 1x40 h GLN 72 Cb 0.54 0.10 -0.08 0.00 0.30 0.00 0.00 27.48 28.34 1x40 h GLN 72 CO -0.72 -0.29 0.57 0.82 -0.67 0.00 0.00 178.83 178.53 1x40 h ILE 73 N -0.46 0.90 0.04 2.54 2.04 -0.71 -1.74 117.51 120.13 1x40 h ILE 73 Ca 0.01 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1x40 h ILE 73 Cb 0.45 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1x40 h ILE 73 CO -0.08 0.17 -0.02 0.40 0.00 0.00 0.00 178.15 178.62 1x40 h ILE 74 N 0.90 0.00 -0.71 -0.67 2.04 -0.03 -2.56 117.51 116.48 1x40 h ILE 74 Ca 0.46 -0.07 0.14 0.00 1.00 0.00 0.00 64.86 66.39 1x40 h ILE 74 Cb 0.46 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.41 1x40 h ILE 74 CO -0.27 0.00 -0.20 0.18 0.00 0.00 0.00 178.15 177.87 1x40 n LEU 75 N -2.35 -0.29 0.31 1.44 4.77 0.19 0.54 117.00 121.60 1x40 n LEU 75 Ca -0.01 1.23 -0.17 0.00 -0.03 0.00 0.00 56.01 57.04 1x40 n LEU 75 Cb 0.02 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 40.67 1x40 n LEU 75 CO 0.02 -1.17 0.67 0.28 -1.33 0.00 0.00 177.39 175.86 1x40 h SER 76 N 0.00 -0.63 -1.35 -1.43 0.02 -1.43 -2.55 113.55 106.18 1x40 h SER 76 Ca 0.33 0.01 0.45 0.00 -0.84 0.00 0.00 61.79 61.74 1x40 h SER 76 Cb 0.50 0.16 -0.13 0.00 0.14 0.00 0.00 62.40 63.08 1x40 h SER 76 CO -0.73 -0.43 0.87 0.11 -1.14 0.00 0.00 176.83 175.52 1x40 h LYS 77 N -0.77 0.05 -4.48 3.45 1.57 0.53 -3.07 116.57 113.86 1x40 h LYS 77 Ca -0.08 -0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.07 1x40 h LYS 77 Cb 0.58 -0.01 0.06 0.00 0.08 0.00 0.00 32.23 32.94 1x40 h LYS 77 CO 0.12 0.04 2.22 -1.33 -0.57 0.00 0.00 179.45 179.93 1x40 n MET 78 N -4.70 1.38 -3.59 3.15 2.81 -0.79 -4.73 117.12 110.65 1x40 n MET 78 Ca 0.38 -1.75 -0.05 0.00 -1.81 0.00 0.00 57.70 54.48 1x40 n MET 78 Cb 1.49 -2.86 -0.02 0.00 -0.71 0.00 0.00 33.22 31.12 1x40 n MET 78 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1x40 s GLN 79 N 5.12 0.34 -1.28 0.03 1.03 -1.16 -4.98 119.66 118.76 1x40 s GLN 79 Ca 0.57 -0.10 -0.11 0.00 0.04 0.00 0.00 55.36 55.76 1x40 s GLN 79 Cb 0.14 0.16 0.11 0.00 0.03 0.00 0.00 33.01 33.45 1x40 s GLN 79 CO 0.13 -0.14 0.28 -3.47 -2.54 0.00 0.00 175.29 169.55 1x40 n ASP 80 N 0.00 -0.61 -4.49 12.60 2.03 -1.26 -4.88 116.55 119.95 1x40 n ASP 80 Ca -0.01 -0.91 -0.31 0.00 0.52 0.00 0.00 54.79 54.08 1x40 n ASP 80 Cb 0.58 -1.15 -0.12 0.00 -0.72 0.00 0.00 41.12 39.71 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 -3.11 2.96 0.86 5.18 -5.25 -1.26 -5.13 121.20 115.45 1x40 s ILE 81 Ca 0.39 -1.16 -0.11 0.00 -0.99 0.00 0.00 60.65 58.78 1x40 s ILE 81 Cb -0.23 -2.27 0.11 0.00 2.95 0.00 0.00 42.46 43.02 1x40 s ILE 81 CO 0.74 0.31 1.09 -2.16 -1.79 0.00 0.00 174.94 173.13 1x40 s PRO 82 N -1.55 1.51 -0.02 0.37 0.04 -1.26 -4.98 135.00 129.11 1x40 s PRO 82 Ca 0.16 0.91 -0.30 0.00 0.04 0.00 0.00 61.00 61.81 1x40 s PRO 82 Cb -0.11 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1x40 s PRO 82 CO 0.07 -2.09 1.14 0.42 0.04 0.00 0.00 177.00 176.57 1x40 s ILE 83 N -2.93 4.37 -0.19 0.56 1.01 -1.26 -5.03 121.20 117.73 1x40 s ILE 83 Ca 0.63 1.69 -0.08 0.00 0.00 0.00 0.00 60.65 62.89 1x40 s ILE 83 Cb -0.18 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 1x40 s ILE 83 CO 0.57 0.06 0.07 -0.31 0.00 0.00 0.00 174.94 175.33 1x40 s TYR 84 N 1.62 3.26 -0.20 3.97 2.02 -1.26 -4.99 117.35 121.78 1x40 s TYR 84 Ca 0.55 0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 57.23 1x40 s TYR 84 Cb -0.25 -2.10 -0.09 0.00 -0.40 0.00 0.00 41.96 39.12 1x40 s TYR 84 CO 0.25 0.14 -0.27 0.00 -1.57 0.00 0.00 175.55 174.10 1x40 n ALA 85 N 3.63 1.65 -1.37 3.71 0.00 -1.26 -4.63 120.51 122.24 1x40 n ALA 85 Ca -0.16 -0.82 -0.58 0.00 0.00 0.00 0.00 53.44 51.88 1x40 n ALA 85 Cb 0.52 0.23 -0.10 0.00 0.00 0.00 0.00 19.45 20.10 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 -3.94 1.27 0.00 0.00 7.64 -1.26 -3.81 113.62 113.52 1x40 n SER 86 Ca -0.40 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1x40 n SER 86 Cb 0.77 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 6.76 0.69 0.18 0.23 0.00 -1.26 -5.05 105.19 106.74 1x40 n GLY 87 Ca 0.48 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 1x40 n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x40 h PRO 88 N 0.00 0.57 -4.58 1.61 0.13 -1.98 -3.40 132.00 124.34 1x40 h PRO 88 Ca 0.00 -0.30 -0.70 0.00 -0.87 0.00 0.00 66.00 64.13 1x40 h PRO 88 Cb 0.00 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 30.82 1x40 h PRO 88 CO 0.00 0.89 -0.58 -1.54 -0.23 0.00 0.00 178.00 176.54 1x40 s SER 89 N -6.38 5.25 -0.30 1.44 1.04 -1.26 -4.94 113.70 108.54 1x40 s SER 89 Ca -0.13 -1.58 0.13 0.00 0.48 0.00 0.00 55.95 54.85 1x40 s SER 89 Cb 0.07 -1.84 0.47 0.00 0.10 0.00 0.00 66.02 64.83 1x40 s SER 89 CO 0.80 -0.43 1.13 -0.24 0.98 0.00 0.00 173.24 175.48 1x40 n SER 90 N 4.70 3.51 0.00 7.02 2.88 -1.26 -5.26 113.62 125.21 1x40 n SER 90 Ca -0.08 -3.09 0.00 0.00 -1.33 0.00 0.00 58.87 54.36 1x40 n SER 90 Cb 0.43 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1x40 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42