#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 3.14 0.18 1.61 1.04 -1.26 -5.02 113.70 113.39 1x40 s SER 2 Ca 0.00 -0.52 -0.15 0.00 0.48 0.00 0.00 55.95 55.76 1x40 s SER 2 Cb 0.00 -1.10 0.02 0.00 0.10 0.00 0.00 66.02 65.04 1x40 s SER 2 CO 0.00 0.21 0.45 -0.44 0.98 0.00 0.00 173.24 174.44 1x40 s SER 3 N 0.05 -0.18 0.00 7.02 0.01 -1.26 -4.95 113.70 114.39 1x40 s SER 3 Ca -0.10 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1x40 s SER 3 Cb -0.15 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.61 1x40 s SER 3 CO 0.06 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.32 1x40 n GLY 4 N -0.30 1.86 0.37 3.44 0.00 -1.26 -4.59 105.19 104.71 1x40 n GLY 4 Ca -0.10 -0.13 0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 1.02 0.00 -2.40 1.61 4.64 -1.93 -3.32 113.55 113.16 1x40 h SER 5 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 1x40 h SER 5 Cb 0.00 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.92 1x40 h SER 5 CO 0.00 0.00 0.81 -0.55 -0.87 0.00 0.00 176.83 176.22 1x40 s SER 6 N -5.84 6.57 0.00 4.97 0.15 -1.26 -4.95 113.70 113.35 1x40 s SER 6 Ca -0.05 -1.91 0.00 0.00 0.70 0.00 0.00 55.95 54.70 1x40 s SER 6 Cb 0.17 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1x40 s SER 6 CO 0.64 -1.12 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1x40 n GLY 7 N 5.52 0.96 4.31 9.45 0.00 -1.25 -4.79 105.19 119.39 1x40 n GLY 7 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1x40 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x40 n MET 8 N 0.00 -0.79 -0.04 1.61 1.56 -1.26 -4.76 117.12 113.43 1x40 n MET 8 Ca 0.00 0.12 -0.10 0.00 -0.27 0.00 0.00 57.70 57.45 1x40 n MET 8 Cb 0.00 -4.10 -0.03 0.00 2.15 0.00 0.00 33.22 31.24 1x40 n MET 8 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1x40 n SER 9 N -2.38 0.64 -3.62 6.12 2.88 -1.26 -5.10 113.62 110.90 1x40 n SER 9 Ca -0.01 0.11 -0.08 0.00 -1.33 0.00 0.00 58.87 57.56 1x40 n SER 9 Cb 0.49 -0.27 -0.06 0.00 -0.75 0.00 0.00 64.21 63.62 1x40 n SER 9 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x40 s SER 10 N -5.81 -0.32 -0.08 -3.46 0.15 -1.26 -5.15 113.70 97.77 1x40 s SER 10 Ca -0.13 0.50 -0.25 0.00 0.70 0.00 0.00 55.95 56.78 1x40 s SER 10 Cb 0.05 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1x40 s SER 10 CO 0.16 -0.19 0.76 -0.69 1.20 0.00 0.00 173.24 174.48 1x40 s VAL 11 N -0.42 4.99 -0.29 4.45 1.01 -1.26 -5.03 120.40 123.86 1x40 s VAL 11 Ca 0.03 1.56 -0.21 0.00 0.00 0.00 0.00 61.98 63.36 1x40 s VAL 11 Cb -0.03 -4.10 0.14 0.00 0.00 0.00 0.00 36.38 32.40 1x40 s VAL 11 CO -0.05 0.20 1.06 -0.55 0.00 0.00 0.00 175.10 175.76 1x40 s SER 12 N 0.90 -0.41 0.20 3.32 0.15 -1.26 -5.15 113.70 111.45 1x40 s SER 12 Ca 0.40 0.73 -0.30 0.00 0.70 0.00 0.00 55.95 57.47 1x40 s SER 12 Cb -0.18 0.93 -0.08 0.00 -1.71 0.00 0.00 66.02 64.98 1x40 s SER 12 CO 0.18 -0.12 1.15 -1.83 1.20 0.00 0.00 173.24 173.82 1x40 s GLU 13 N 0.69 4.55 -0.36 5.44 -1.05 -1.26 -4.97 118.70 121.75 1x40 s GLU 13 Ca -0.02 1.81 0.12 0.00 -0.15 0.00 0.00 54.97 56.73 1x40 s GLU 13 Cb -0.04 -3.24 0.45 0.00 -0.44 0.00 0.00 34.13 30.85 1x40 s GLU 13 CO -0.11 0.02 1.06 0.28 0.95 0.00 0.00 175.26 177.46 1x40 n VAL 14 N 2.22 1.79 -3.73 1.83 0.31 -1.26 -5.04 118.33 114.45 1x40 n VAL 14 Ca 0.03 -3.98 -0.12 0.00 -0.01 0.00 0.00 64.34 60.25 1x40 n VAL 14 Cb 0.45 -0.31 -0.13 0.00 -0.91 0.00 0.00 33.84 32.94 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 -3.42 -0.29 0.11 4.52 2.47 -1.26 -4.86 114.94 112.21 1x40 s ASN 15 Ca 0.39 0.56 0.07 0.00 0.42 0.00 0.00 52.86 54.30 1x40 s ASN 15 Cb 0.41 0.46 -0.04 0.00 -1.45 0.00 0.00 41.25 40.64 1x40 s ASN 15 CO -0.07 -0.16 -0.09 0.54 -3.72 0.00 0.00 177.10 173.61 1x40 s VAL 16 N 1.09 3.42 0.38 -5.21 0.11 -1.26 -4.98 120.40 113.95 1x40 s VAL 16 Ca -0.08 -1.28 -0.26 0.00 -2.93 0.00 0.00 61.98 57.43 1x40 s VAL 16 Cb -0.09 -2.61 -0.09 0.00 -1.53 0.00 0.00 36.38 32.06 1x40 s VAL 16 CO -0.08 0.09 1.22 -0.62 -3.33 0.00 0.00 175.10 172.38 1x40 s ASP 17 N -2.29 6.56 0.47 3.54 2.15 -1.26 0.01 116.67 125.84 1x40 s ASP 17 Ca 0.22 2.46 0.25 0.00 0.43 0.00 0.00 52.55 55.92 1x40 s ASP 17 Cb -0.11 -2.63 1.29 0.00 -0.30 0.00 0.00 42.92 41.17 1x40 s ASP 17 CO 0.14 -0.66 1.82 -0.29 -0.17 0.00 0.00 175.17 176.02 1x40 h ILE 18 N 2.51 0.54 0.80 4.11 6.09 -0.81 -1.53 117.51 129.22 1x40 h ILE 18 Ca -0.49 -0.07 -0.04 0.00 -1.37 0.00 0.00 64.86 62.89 1x40 h ILE 18 Cb 1.23 0.30 0.01 0.00 0.47 0.00 0.00 36.82 38.83 1x40 h ILE 18 CO 0.63 0.04 -0.38 0.50 -3.07 0.00 0.00 178.15 175.87 1x40 h LYS 19 N 0.22 -1.04 -0.64 2.19 3.64 -1.90 -0.99 116.57 118.05 1x40 h LYS 19 Ca 0.52 0.07 0.16 0.00 -1.27 0.00 0.00 60.65 60.14 1x40 h LYS 19 Cb 1.65 0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 33.67 1x40 h LYS 19 CO -0.14 -0.69 0.45 0.22 -2.27 0.00 0.00 179.45 177.02 1x40 h ASP 20 N -1.17 0.13 0.66 4.20 1.82 -1.72 0.32 116.42 120.66 1x40 h ASP 20 Ca -0.11 0.01 -0.13 0.00 -0.39 0.00 0.00 57.03 56.41 1x40 h ASP 20 Cb 0.82 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.80 1x40 h ASP 20 CO 0.18 0.07 -0.60 0.15 -1.61 0.00 0.00 179.24 177.43 1x40 h PHE 21 N 0.14 0.00 0.00 0.28 3.57 -1.08 -2.83 116.94 117.02 1x40 h PHE 21 Ca 0.31 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.71 1x40 h PHE 21 Cb 1.03 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1x40 h PHE 21 CO -0.00 0.60 -0.59 -0.07 -2.23 0.00 0.00 178.31 176.02 1x40 h LEU 22 N 0.00 0.00 -1.97 0.59 3.38 0.84 -3.34 115.31 114.81 1x40 h LEU 22 Ca -0.01 -0.57 0.14 0.00 0.09 0.00 0.00 57.88 57.53 1x40 h LEU 22 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1x40 h LEU 22 CO 0.08 1.13 0.47 0.24 0.09 0.00 0.00 178.44 180.45 1x40 h MET 23 N -1.00 0.00 -0.57 1.13 2.86 -0.67 0.24 114.93 116.92 1x40 h MET 23 Ca -0.15 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 1x40 h MET 23 Cb 0.97 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 1x40 h MET 23 CO -0.09 0.00 -0.04 1.03 1.06 0.00 0.00 176.91 178.87 1x40 h SER 24 N 0.00 1.01 -0.13 1.22 0.87 -1.62 -2.86 113.55 112.05 1x40 h SER 24 Ca 0.23 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1x40 h SER 24 Cb 1.18 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1x40 h SER 24 CO -0.00 1.09 0.00 2.30 -0.53 0.00 0.00 176.83 179.68 1x40 n ILE 25 N -4.17 0.14 -2.84 2.23 -5.35 0.45 -4.95 119.36 104.87 1x40 n ILE 25 Ca 0.02 -0.54 -0.11 0.00 -0.27 0.00 0.00 62.75 61.85 1x40 n ILE 25 Cb 0.36 1.26 0.03 0.00 -1.74 0.00 0.00 39.64 39.55 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 1.28 -3.87 -0.61 7.28 4.13 0.55 -4.94 115.26 119.08 1x40 n ASN 26 Ca 0.16 -0.20 0.05 0.00 1.68 0.00 0.00 54.58 56.27 1x40 n ASN 26 Cb 0.58 -2.57 0.19 0.00 -1.54 0.00 0.00 39.78 36.44 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 -2.34 3.08 0.19 3.41 7.99 -0.33 -4.73 117.00 124.28 1x40 n LEU 27 Ca -0.02 -3.51 0.18 0.00 -0.01 0.00 0.00 56.01 52.65 1x40 n LEU 27 Cb 0.54 -0.53 0.73 0.00 -0.11 0.00 0.00 43.42 44.05 1x40 n LEU 27 CO 0.27 1.06 1.15 1.05 -1.51 0.00 0.00 177.39 179.41 1x40 h GLU 28 N 0.81 0.00 0.00 3.23 4.11 -1.91 0.21 114.58 121.02 1x40 h GLU 28 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1x40 h GLU 28 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1x40 h GLU 28 CO 0.12 0.00 0.09 -0.56 0.07 0.00 0.00 179.01 178.72 1x40 h GLN 29 N 0.00 0.00 -1.58 1.06 3.07 -1.95 -1.85 115.11 113.87 1x40 h GLN 29 Ca 0.12 0.00 -0.67 0.00 0.09 0.00 0.00 58.65 58.19 1x40 h GLN 29 Cb 1.04 0.00 -0.35 0.00 0.08 0.00 0.00 27.48 28.25 1x40 h GLN 29 CO -0.00 0.00 0.15 0.66 0.09 0.00 0.00 178.83 179.73 1x40 n TYR 30 N -2.75 3.15 -0.11 0.06 4.01 0.73 -4.66 117.16 117.59 1x40 n TYR 30 Ca -0.02 -2.70 -0.23 0.00 -0.16 0.00 0.00 57.90 54.78 1x40 n TYR 30 Cb 0.14 -0.70 -0.10 0.00 -0.31 0.00 0.00 39.34 38.37 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 -0.58 1.89 -0.09 7.72 7.94 -0.70 -3.98 117.00 129.21 1x40 n LEU 31 Ca 0.48 0.40 -0.09 0.00 -1.11 0.00 0.00 56.01 55.69 1x40 n LEU 31 Cb 0.52 -0.91 -0.02 0.00 0.53 0.00 0.00 43.42 43.54 1x40 n LEU 31 CO 0.46 0.33 0.97 0.25 -1.11 0.00 0.00 177.39 178.29 1x40 h LEU 32 N -1.00 0.36 -0.09 -1.96 7.12 -1.83 -2.47 115.31 115.44 1x40 h LEU 32 Ca -0.44 -0.06 0.03 0.00 0.13 0.00 0.00 57.88 57.54 1x40 h LEU 32 Cb 1.37 -0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 41.34 1x40 h LEU 32 CO -0.27 0.31 -0.48 0.45 -0.13 0.00 0.00 178.44 178.32 1x40 h HIS 33 N 0.38 -1.39 -0.66 1.25 3.86 -1.87 0.08 115.15 116.80 1x40 h HIS 33 Ca 0.11 0.05 0.12 0.00 -1.16 0.00 0.00 60.37 59.49 1x40 h HIS 33 Cb 0.02 0.62 -0.09 0.00 1.06 0.00 0.00 27.41 29.02 1x40 h HIS 33 CO -0.04 -0.52 0.19 0.74 0.86 0.00 0.00 177.93 179.16 1x40 h PHE 34 N -0.56 0.31 0.12 2.45 -1.00 -1.67 -2.10 116.94 114.49 1x40 h PHE 34 Ca 0.05 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.86 1x40 h PHE 34 Cb 0.67 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 40.19 1x40 h PHE 34 CO -0.52 0.00 -0.08 0.45 -1.61 0.00 0.00 178.31 176.55 1x40 h HIS 35 N 0.32 -0.22 -1.17 -0.55 3.86 -0.81 0.38 115.15 116.96 1x40 h HIS 35 Ca 0.35 -0.00 0.44 0.00 -1.16 0.00 0.00 60.37 60.00 1x40 h HIS 35 Cb 0.52 0.08 -0.15 0.00 1.06 0.00 0.00 27.41 28.92 1x40 h HIS 35 CO -0.22 -0.12 0.71 0.39 0.86 0.00 0.00 177.93 179.55 1x40 n GLU 36 N -2.71 -0.05 -0.08 2.45 1.02 -0.08 0.23 120.64 121.43 1x40 n GLU 36 Ca -0.02 1.27 -0.11 0.00 -0.02 0.00 0.00 57.16 58.27 1x40 n GLU 36 Cb 0.08 -2.39 0.02 0.00 -0.02 0.00 0.00 31.44 29.13 1x40 n GLU 36 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1x40 h SER 37 N 0.00 0.86 0.00 1.62 0.02 -0.97 -3.47 113.55 111.61 1x40 h SER 37 Ca 0.84 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1x40 h SER 37 Cb 2.49 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.79 1x40 h SER 37 CO -0.58 1.16 0.00 0.61 -1.14 0.00 0.00 176.83 176.88 1x40 n GLY 38 N 0.11 1.52 3.02 -3.77 0.00 0.64 -5.11 105.19 101.60 1x40 n GLY 38 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.74 3.53 -0.04 1.61 0.08 -0.01 -4.93 117.98 116.48 1x40 s PHE 39 Ca 0.00 -2.94 -0.10 0.00 0.12 0.00 0.00 56.93 54.01 1x40 s PHE 39 Cb 0.00 -2.97 -0.30 0.00 -0.57 0.00 0.00 43.02 39.18 1x40 s PHE 39 CO 0.00 -0.88 0.72 1.79 -0.10 0.00 0.00 175.22 176.75 1x40 h THR 40 N 6.11 0.99 -1.31 0.64 1.35 -1.90 -3.33 112.91 115.47 1x40 h THR 40 Ca -0.06 -2.57 -0.64 0.00 -0.55 0.00 0.00 66.41 62.59 1x40 h THR 40 Cb 0.98 2.78 -0.13 0.00 -1.73 0.00 0.00 68.15 70.04 1x40 h THR 40 CO 0.62 0.85 -0.50 0.42 -0.25 0.00 0.00 175.52 176.65 1x40 s THR 41 N -2.59 0.79 0.23 6.82 -4.23 -1.26 -0.21 115.64 115.20 1x40 s THR 41 Ca -0.14 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.39 1x40 s THR 41 Cb 0.06 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 1x40 s THR 41 CO 0.86 0.00 1.56 0.58 -0.54 0.00 0.00 174.62 177.08 1x40 h VAL 42 N 1.49 1.36 -0.48 2.29 2.07 -0.67 -3.04 116.25 119.28 1x40 h VAL 42 Ca -0.39 -1.90 0.05 0.00 0.82 0.00 0.00 66.70 65.28 1x40 h VAL 42 Cb 1.30 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.97 1x40 h VAL 42 CO 0.64 0.57 0.32 0.50 0.02 0.00 0.00 177.57 179.62 1x40 h LYS 43 N 0.24 0.43 0.00 1.57 1.63 -1.93 0.19 116.57 118.70 1x40 h LYS 43 Ca -0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1x40 h LYS 43 Cb 1.08 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 1x40 h LYS 43 CO 0.09 0.28 0.00 -0.25 -3.45 0.00 0.00 179.45 176.13 1x40 n ASP 44 N -4.48 0.24 -1.02 4.20 9.92 -1.15 -2.42 116.55 121.85 1x40 n ASP 44 Ca 0.06 0.55 0.05 0.00 -0.53 0.00 0.00 54.79 54.92 1x40 n ASP 44 Cb 0.22 -0.60 0.21 0.00 -0.64 0.00 0.00 41.12 40.30 1x40 n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x40 h ALA 46 N 3.45 1.13 -0.38 0.00 0.00 -1.57 -2.42 119.26 119.48 1x40 h ALA 46 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1x40 h ALA 46 Cb 0.94 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1x40 h ALA 46 CO 0.14 0.19 0.02 0.00 0.00 0.00 0.00 179.25 179.60 1x40 n ALA 47 N -2.23 3.41 -2.78 0.00 0.00 -1.26 -4.97 120.51 112.67 1x40 n ALA 47 Ca -0.01 -2.26 -0.36 0.00 0.00 0.00 0.00 53.44 50.81 1x40 n ALA 47 Cb 0.32 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 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 -2.85 4.85 0.18 0.00 1.01 -0.91 -5.02 121.20 118.46 1x40 s ILE 48 Ca 0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 60.65 61.07 1x40 s ILE 48 Cb 0.37 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 1x40 s ILE 48 CO 0.11 0.59 0.09 0.20 0.00 0.00 0.00 174.94 175.92 1x40 s ASN 49 N -0.71 0.40 0.15 3.58 0.01 -1.26 -4.99 114.94 112.12 1x40 s ASN 49 Ca 0.12 -1.31 -0.20 0.00 -0.71 0.00 0.00 52.86 50.76 1x40 s ASN 49 Cb -0.12 0.31 0.06 0.00 0.41 0.00 0.00 41.25 41.91 1x40 s ASN 49 CO 0.03 -0.77 1.22 -0.67 -1.51 0.00 0.00 177.10 175.39 1x40 n ASP 50 N -0.23 -0.69 -0.24 -1.22 -0.08 -1.26 0.15 116.55 112.97 1x40 n ASP 50 Ca -0.01 1.39 0.03 0.00 -1.51 0.00 0.00 54.79 54.69 1x40 n ASP 50 Cb 0.65 -0.24 0.16 0.00 2.34 0.00 0.00 41.12 44.03 1x40 n ASP 50 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1x40 h SER 51 N 0.00 0.31 -0.01 1.67 0.02 -1.99 -1.81 113.55 111.74 1x40 h SER 51 Ca 0.19 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.24 1x40 h SER 51 Cb 0.39 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1x40 h SER 51 CO -0.76 0.15 -0.04 0.25 -1.14 0.00 0.00 176.83 175.29 1x40 h LEU 52 N 0.47 -0.11 -0.68 5.07 7.12 0.92 -1.31 115.31 126.79 1x40 h LEU 52 Ca 0.38 0.02 0.14 0.00 0.13 0.00 0.00 57.88 58.55 1x40 h LEU 52 Cb 0.52 0.05 -0.11 0.00 -0.53 0.00 0.00 40.66 40.59 1x40 h LEU 52 CO -0.35 -0.06 0.09 -0.07 -0.13 0.00 0.00 178.44 177.92 1x40 h LEU 53 N -0.07 -0.12 -0.07 2.25 -0.00 -0.22 0.87 115.31 117.95 1x40 h LEU 53 Ca 0.02 0.15 0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1x40 h LEU 53 Cb 0.09 0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1x40 h LEU 53 CO -0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 178.44 178.32 1x40 n GLN 54 N -5.21 0.04 0.06 1.13 10.64 -0.94 -2.43 117.38 120.67 1x40 n GLN 54 Ca 0.12 0.18 0.05 0.00 -1.83 0.00 0.00 57.00 55.52 1x40 n GLN 54 Cb 0.41 -1.56 -0.05 0.00 -0.86 0.00 0.00 30.24 28.19 1x40 n GLN 54 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1x40 h LYS 55 N 0.00 0.00 0.00 2.61 3.64 0.19 -3.33 116.57 119.68 1x40 h LYS 55 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x40 h LYS 55 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1x40 h LYS 55 CO 0.00 0.17 -0.37 -0.84 -2.27 0.00 0.00 179.45 176.13 1x40 h ILE 56 N 0.00 0.00 0.00 2.00 3.07 -0.77 -3.47 117.51 118.33 1x40 h ILE 56 Ca -0.09 -0.67 0.00 0.00 1.55 0.00 0.00 64.86 65.64 1x40 h ILE 56 Cb 1.34 1.45 0.00 0.00 -0.27 0.00 0.00 36.82 39.34 1x40 h ILE 56 CO 0.03 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.74 1x40 n GLY 57 N 1.26 3.77 3.31 0.16 0.00 -1.20 -4.80 105.19 107.70 1x40 n GLY 57 Ca 0.04 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.02 -4.79 119.36 118.51 1x40 n ILE 58 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 1x40 n ILE 58 Cb 0.00 -0.48 -0.05 0.00 -0.71 0.00 0.00 39.64 38.40 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 11.17 -0.39 -4.19 4.38 0.87 -1.88 -3.36 113.55 120.16 1x40 h SER 59 Ca -0.05 -0.10 -0.51 0.00 -1.23 0.00 0.00 61.79 59.90 1x40 h SER 59 Cb 1.26 0.10 0.10 0.00 -0.44 0.00 0.00 62.40 63.42 1x40 h SER 59 CO 1.30 0.07 0.38 -2.16 -0.53 0.00 0.00 176.83 175.89 1x40 s PRO 60 N -3.51 2.87 -0.19 2.24 0.04 -1.26 -5.00 135.00 130.19 1x40 s PRO 60 Ca -0.10 1.42 -0.10 0.00 0.04 0.00 0.00 61.00 62.26 1x40 s PRO 60 Cb 0.01 -1.96 -0.21 0.00 0.04 0.00 0.00 34.50 32.38 1x40 s PRO 60 CO 0.34 -1.20 0.12 2.41 0.04 0.00 0.00 177.00 178.71 1x40 n THR 61 N -2.28 1.63 -0.67 1.26 -1.04 -1.26 -4.19 114.28 107.73 1x40 n THR 61 Ca 0.10 -0.44 0.51 0.00 -2.04 0.00 0.00 64.05 62.18 1x40 n THR 61 Cb 0.52 -1.78 0.79 0.00 -1.82 0.00 0.00 70.33 68.04 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 1.80 -0.95 0.15 3.41 0.00 -1.26 0.21 105.19 108.54 1x40 n GLY 62 Ca -0.38 0.69 -0.21 0.00 0.00 0.00 0.00 46.02 46.13 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 0.86 0.42 1.61 -0.00 -2.00 -3.26 115.15 112.78 1x40 h HIS 63 Ca 0.92 -0.59 -0.01 0.00 -0.00 0.00 0.00 60.37 60.69 1x40 h HIS 63 Cb 3.59 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 30.94 1x40 h HIS 63 CO -0.00 1.44 -0.30 0.00 -0.00 0.00 0.00 177.93 179.07 1x40 h ARG 64 N 0.18 -0.68 -0.95 2.45 3.08 0.23 0.72 114.38 119.40 1x40 h ARG 64 Ca -0.20 0.05 0.24 0.00 0.07 0.00 0.00 59.98 60.14 1x40 h ARG 64 Cb 2.01 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 32.15 1x40 h ARG 64 CO 0.24 -0.45 0.64 0.00 -1.07 0.00 0.00 179.97 179.33 1x40 h ARG 65 N -0.71 0.32 -0.03 0.04 3.08 -1.57 0.80 114.38 116.31 1x40 h ARG 65 Ca -0.04 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1x40 h ARG 65 Cb 0.60 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1x40 h ARG 65 CO 0.02 0.21 -0.26 -0.09 -1.07 0.00 0.00 179.97 178.78 1x40 h ARG 66 N 0.33 0.23 -0.03 0.04 2.43 -1.43 -2.13 114.38 113.82 1x40 h ARG 66 Ca 0.50 -0.20 0.01 0.00 -0.81 0.00 0.00 59.98 59.48 1x40 h ARG 66 Cb 1.39 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.98 1x40 h ARG 66 CO -0.18 0.89 -0.02 0.82 -1.51 0.00 0.00 179.97 179.97 1x40 h ILE 67 N -0.36 0.94 0.44 1.20 2.04 0.67 -2.96 117.51 119.48 1x40 h ILE 67 Ca -0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1x40 h ILE 67 Cb 0.95 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1x40 h ILE 67 CO 0.05 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.92 1x40 h LEU 68 N -0.02 -0.50 -0.83 1.44 3.38 -1.02 -1.97 115.31 115.79 1x40 h LEU 68 Ca 0.02 -0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.15 1x40 h LEU 68 Cb 0.05 0.13 -0.16 0.00 0.09 0.00 0.00 40.66 40.77 1x40 h LEU 68 CO -0.05 -0.33 -0.21 1.17 0.09 0.00 0.00 178.44 179.11 1x40 n LYS 69 N -5.33 -0.08 0.05 1.13 4.81 -0.80 0.23 118.16 118.18 1x40 n LYS 69 Ca -0.11 1.30 -0.06 0.00 -0.87 0.00 0.00 58.31 58.57 1x40 n LYS 69 Cb 0.26 -1.94 0.13 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 0.36 -0.17 1.64 1.08 -1.36 -2.21 115.11 114.46 1x40 h GLN 70 Ca 0.39 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 1x40 h GLN 70 Cb 0.60 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1x40 h GLN 70 CO -0.86 0.79 0.06 -0.07 -0.95 0.00 0.00 178.83 177.80 1x40 h LEU 71 N 0.28 0.24 -0.16 1.46 3.38 0.37 0.14 115.31 121.03 1x40 h LEU 71 Ca 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1x40 h LEU 71 Cb 1.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1x40 h LEU 71 CO 0.09 0.38 0.03 1.56 0.09 0.00 0.00 178.44 180.58 1x40 h GLN 72 N 0.10 0.27 -0.56 1.13 4.20 -0.46 0.70 115.11 120.48 1x40 h GLN 72 Ca 0.06 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1x40 h GLN 72 Cb 0.22 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1x40 h GLN 72 CO -0.00 0.44 0.22 0.82 -0.67 0.00 0.00 178.83 179.63 1x40 h ILE 73 N 0.06 1.21 0.00 2.54 2.04 -1.36 -2.21 117.51 119.78 1x40 h ILE 73 Ca 0.05 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1x40 h ILE 73 Cb 0.30 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1x40 h ILE 73 CO 0.00 0.26 -0.01 0.40 0.00 0.00 0.00 178.15 178.80 1x40 h ILE 74 N 0.81 0.00 -1.26 -0.67 2.04 -0.55 -3.30 117.51 114.59 1x40 h ILE 74 Ca 0.19 -0.43 0.45 0.00 1.00 0.00 0.00 64.86 66.07 1x40 h ILE 74 Cb 0.17 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.11 1x40 h ILE 74 CO -0.02 0.00 0.79 0.18 0.00 0.00 0.00 178.15 179.10 1x40 n LEU 75 N -3.20 0.23 0.43 1.44 4.77 0.24 -0.17 117.00 120.74 1x40 n LEU 75 Ca -0.00 1.40 -0.19 0.00 -0.03 0.00 0.00 56.01 57.18 1x40 n LEU 75 Cb 0.01 -0.69 -0.10 0.00 -2.33 0.00 0.00 43.42 40.32 1x40 n LEU 75 CO 0.00 -1.53 0.53 -1.28 -1.33 0.00 0.00 177.39 173.79 1x40 h SER 76 N 0.00 -1.19 -1.06 -1.43 0.87 -1.52 -1.38 113.55 107.85 1x40 h SER 76 Ca 0.85 0.06 0.29 0.00 -1.23 0.00 0.00 61.79 61.76 1x40 h SER 76 Cb 2.63 0.34 -0.12 0.00 -0.44 0.00 0.00 62.40 64.81 1x40 h SER 76 CO -0.51 -0.74 0.65 0.11 -0.53 0.00 0.00 176.83 175.81 1x40 h LYS 77 N -1.19 0.39 0.00 2.24 1.57 -0.63 1.09 116.57 120.04 1x40 h LYS 77 Ca -0.11 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 1x40 h LYS 77 Cb 0.94 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1x40 h LYS 77 CO 0.12 0.26 -0.35 0.52 -0.57 0.00 0.00 179.45 179.43 1x40 h MET 78 N 0.40 0.00 -0.78 3.15 2.86 -1.13 -2.62 114.93 116.82 1x40 h MET 78 Ca 0.66 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.30 1x40 h MET 78 Cb 1.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.24 1x40 h MET 78 CO -0.42 0.35 0.00 0.94 1.06 0.00 0.00 176.91 178.84 1x40 n GLN 79 N -3.67 1.37 -1.84 1.72 -0.06 0.38 -4.83 117.38 110.44 1x40 n GLN 79 Ca -0.01 -0.32 -0.07 0.00 -2.00 0.00 0.00 57.00 54.59 1x40 n GLN 79 Cb 0.46 -1.48 -0.02 0.00 -4.06 0.00 0.00 30.24 25.14 1x40 n GLN 79 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1x40 n ASP 80 N -0.00 -2.36 -4.61 1.69 8.00 -0.99 -4.85 116.55 113.42 1x40 n ASP 80 Ca 0.03 0.25 -0.32 0.00 0.71 0.00 0.00 54.79 55.46 1x40 n ASP 80 Cb 0.29 -2.23 -0.10 0.00 -0.02 0.00 0.00 41.12 39.06 1x40 n ASP 80 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1x40 s ILE 81 N -2.00 3.75 0.83 0.53 -4.36 -1.21 -4.27 121.20 114.47 1x40 s ILE 81 Ca 0.00 -0.76 -0.11 0.00 -0.26 0.00 0.00 60.65 59.52 1x40 s ILE 81 Cb 0.00 -2.65 0.09 0.00 1.25 0.00 0.00 42.46 41.15 1x40 s ILE 81 CO 0.00 0.37 1.09 -2.16 0.24 0.00 0.00 174.94 174.49 1x40 s PRO 82 N -1.49 1.77 -0.02 0.37 0.04 -1.26 -4.28 135.00 130.12 1x40 s PRO 82 Ca 0.18 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 1x40 s PRO 82 Cb -0.11 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1x40 s PRO 82 CO 0.08 -1.94 1.75 0.42 0.04 0.00 0.00 177.00 177.36 1x40 s ILE 83 N -2.92 3.38 -0.17 0.56 1.01 -1.26 -4.90 121.20 116.90 1x40 s ILE 83 Ca 0.62 0.48 -0.20 0.00 0.00 0.00 0.00 60.65 61.56 1x40 s ILE 83 Cb -0.17 -3.31 -0.17 0.00 0.01 0.00 0.00 42.46 38.82 1x40 s ILE 83 CO 0.56 -0.04 0.28 1.88 0.00 0.00 0.00 174.94 177.63 1x40 h TYR 84 N 9.84 0.00 -1.33 3.97 0.05 -1.99 -3.47 116.97 124.03 1x40 h TYR 84 Ca -0.43 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 57.81 1x40 h TYR 84 Cb 1.20 0.00 0.13 0.00 1.01 0.00 0.00 36.73 39.06 1x40 h TYR 84 CO 0.91 0.99 -0.74 0.00 -1.05 0.00 0.00 178.16 178.26 1x40 n ALA 85 N -3.17 -2.73 -0.05 3.88 0.00 -1.26 -4.89 120.51 112.28 1x40 n ALA 85 Ca -0.19 0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 1x40 n ALA 85 Cb 0.50 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.54 1x40 n ALA 85 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1x40 h SER 86 N 0.39 0.00 -3.56 0.00 0.02 -2.05 -3.40 113.55 104.95 1x40 h SER 86 Ca -0.30 -0.82 -0.68 0.00 -0.84 0.00 0.00 61.79 59.15 1x40 h SER 86 Cb 1.24 -0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.40 1x40 h SER 86 CO 0.42 0.82 -0.32 -0.83 -1.14 0.00 0.00 176.83 175.78 1x40 s GLY 87 N -3.85 2.86 1.24 -3.77 0.00 -1.26 -5.08 107.32 97.45 1x40 s GLY 87 Ca -0.18 -3.67 -0.21 0.00 0.00 0.00 0.00 44.72 40.67 1x40 s GLY 87 CO 0.69 1.13 1.10 -1.55 0.00 0.00 0.00 173.10 174.46 1x40 n PRO 88 N 2.56 -3.17 -3.32 2.90 -0.04 -1.26 -5.00 135.00 127.68 1x40 n PRO 88 Ca 0.16 -1.76 -0.40 0.00 -0.04 0.00 0.00 63.50 61.47 1x40 n PRO 88 Cb 0.36 -1.65 -0.08 0.00 -0.04 0.00 0.00 33.50 32.09 1x40 n PRO 88 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x40 s SER 89 N -4.46 6.30 1.00 3.54 0.01 -1.26 -5.07 113.70 113.76 1x40 s SER 89 Ca 0.71 0.18 -0.12 0.00 1.31 0.00 0.00 55.95 58.03 1x40 s SER 89 Cb -0.07 -2.24 0.19 0.00 0.21 0.00 0.00 66.02 64.11 1x40 s SER 89 CO 0.55 -0.31 1.10 -0.94 0.41 0.00 0.00 173.24 174.04 1x40 s SER 90 N 1.67 2.61 0.00 2.44 1.04 -1.26 -5.25 113.70 114.95 1x40 s SER 90 Ca 0.17 1.14 0.00 0.00 0.48 0.00 0.00 55.95 57.74 1x40 s SER 90 Cb -0.16 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.16 1x40 s SER 90 CO 0.11 -3.14 0.00 0.61 0.98 0.00 0.00 173.24 171.80