#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 1.99 -0.25 1.61 0.01 -1.26 -5.14 113.70 110.67 1x40 s SER 2 Ca 0.00 -1.08 -0.05 0.00 1.31 0.00 0.00 55.95 56.13 1x40 s SER 2 Cb 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1x40 s SER 2 CO 0.00 -0.35 0.00 -0.44 0.41 0.00 0.00 173.24 172.86 1x40 s SER 3 N -3.25 4.63 0.00 2.44 0.01 -1.26 -4.95 113.70 111.33 1x40 s SER 3 Ca 0.22 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1x40 s SER 3 Cb 0.03 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.47 1x40 s SER 3 CO 0.04 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1x40 n GLY 4 N 4.81 1.33 2.34 3.44 0.00 -1.26 -4.93 105.19 110.92 1x40 n GLY 4 Ca -0.17 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 1x40 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x40 n SER 5 N 0.00 7.51 -4.42 1.61 7.64 -1.26 -4.91 113.62 119.79 1x40 n SER 5 Ca 0.00 -3.69 -0.40 0.00 1.01 0.00 0.00 58.87 55.79 1x40 n SER 5 Cb 0.00 -1.01 -0.11 0.00 -1.01 0.00 0.00 64.21 62.08 1x40 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x40 s SER 6 N -1.44 5.71 0.00 6.43 0.01 -1.26 -4.75 113.70 118.40 1x40 s SER 6 Ca 0.59 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1x40 s SER 6 Cb 0.47 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.66 1x40 s SER 6 CO -0.06 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1x40 n GLY 7 N 5.01 0.00 3.41 3.44 0.00 -1.26 -5.06 105.19 110.73 1x40 n GLY 7 Ca -0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.45 1x40 n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x40 s MET 8 N 0.00 3.46 -0.63 1.61 -1.94 -1.26 -4.97 119.30 115.58 1x40 s MET 8 Ca 0.00 -1.79 -0.02 0.00 -1.71 0.00 0.00 55.69 52.17 1x40 s MET 8 Cb 0.00 -4.63 0.16 0.00 2.01 0.00 0.00 34.83 32.37 1x40 s MET 8 CO 0.00 -1.61 0.44 -1.12 -0.01 0.00 0.00 175.02 172.71 1x40 s SER 9 N 3.27 5.15 -0.27 3.03 0.01 -1.26 -4.88 113.70 118.76 1x40 s SER 9 Ca 0.24 -2.91 0.14 0.00 1.31 0.00 0.00 55.95 54.72 1x40 s SER 9 Cb -0.11 -1.84 0.48 0.00 0.21 0.00 0.00 66.02 64.77 1x40 s SER 9 CO -0.05 -0.35 1.16 -1.54 0.41 0.00 0.00 173.24 172.87 1x40 n SER 10 N 3.39 3.48 -3.89 2.44 3.41 -1.26 -5.04 113.62 116.15 1x40 n SER 10 Ca 0.08 -3.07 -0.13 0.00 -0.26 0.00 0.00 58.87 55.49 1x40 n SER 10 Cb 0.37 -0.40 -0.14 0.00 -0.26 0.00 0.00 64.21 63.78 1x40 n SER 10 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1x40 s VAL 11 N -4.15 0.07 -0.39 -3.33 1.01 -1.26 -5.04 120.40 107.30 1x40 s VAL 11 Ca 0.41 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 1x40 s VAL 11 Cb 0.37 -0.07 -0.14 0.00 0.00 0.00 0.00 36.38 36.55 1x40 s VAL 11 CO 0.00 0.02 3.25 -1.54 0.00 0.00 0.00 175.10 176.83 1x40 n SER 12 N 3.05 6.15 -4.25 3.32 3.41 -1.26 -4.92 113.62 119.12 1x40 n SER 12 Ca -0.12 -2.72 -0.28 0.00 -0.26 0.00 0.00 58.87 55.49 1x40 n SER 12 Cb 0.60 -1.38 0.17 0.00 -0.26 0.00 0.00 64.21 63.33 1x40 n SER 12 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1x40 s GLU 13 N 0.29 0.86 0.53 4.33 -1.05 -1.26 -4.94 118.70 117.45 1x40 s GLU 13 Ca 0.64 -0.68 0.21 0.00 -0.15 0.00 0.00 54.97 54.99 1x40 s GLU 13 Cb 0.31 -1.99 1.36 0.00 -0.44 0.00 0.00 34.13 33.37 1x40 s GLU 13 CO -0.07 -2.18 2.08 -0.24 0.95 0.00 0.00 175.26 175.79 1x40 h VAL 14 N -1.34 0.84 -1.16 1.83 3.04 -2.03 -3.43 116.25 114.00 1x40 h VAL 14 Ca -0.41 0.00 -0.76 0.00 -1.01 0.00 0.00 66.70 64.52 1x40 h VAL 14 Cb 1.24 0.87 0.06 0.00 -2.01 0.00 0.00 31.29 31.44 1x40 h VAL 14 CO 0.36 0.00 0.10 -3.20 -1.01 0.00 0.00 177.57 173.83 1x40 n ASN 15 N -4.42 0.27 -4.71 3.17 2.85 -1.26 -4.95 115.26 106.22 1x40 n ASN 15 Ca 0.03 1.15 -0.31 0.00 -0.11 0.00 0.00 54.58 55.34 1x40 n ASN 15 Cb 0.34 -0.98 -0.08 0.00 1.24 0.00 0.00 39.78 40.30 1x40 n ASN 15 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1x40 s VAL 16 N 0.02 4.17 0.18 3.44 1.01 -1.26 -5.02 120.40 122.94 1x40 s VAL 16 Ca 0.88 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 1x40 s VAL 16 Cb -1.18 -2.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1x40 s VAL 16 CO 0.55 0.19 1.15 -0.62 0.00 0.00 0.00 175.10 176.37 1x40 s ASP 17 N -2.11 7.18 0.58 3.32 -1.08 -1.26 -1.78 116.67 121.52 1x40 s ASP 17 Ca 0.25 2.15 0.36 0.00 -0.52 0.00 0.00 52.55 54.79 1x40 s ASP 17 Cb -0.12 -2.60 1.33 0.00 -1.46 0.00 0.00 42.92 40.07 1x40 s ASP 17 CO 0.17 -0.29 1.51 -0.29 0.52 0.00 0.00 175.17 176.79 1x40 h ILE 18 N 3.75 0.09 0.28 4.11 6.09 -0.88 -0.38 117.51 130.57 1x40 h ILE 18 Ca -0.44 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.03 1x40 h ILE 18 Cb 1.21 0.12 0.00 0.00 0.47 0.00 0.00 36.82 38.62 1x40 h ILE 18 CO 0.73 0.00 -0.14 0.50 -3.07 0.00 0.00 178.15 176.18 1x40 h LYS 19 N 0.00 -0.37 -0.81 2.19 3.64 -1.90 -2.30 116.57 117.02 1x40 h LYS 19 Ca 0.62 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 60.24 1x40 h LYS 19 Cb 2.96 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 34.82 1x40 h LYS 19 CO -0.01 -0.24 0.57 0.22 -2.27 0.00 0.00 179.45 177.71 1x40 h ASP 20 N -0.45 0.16 -0.45 4.20 1.82 -1.47 0.22 116.42 120.46 1x40 h ASP 20 Ca -0.04 0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.56 1x40 h ASP 20 Cb 0.29 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 1x40 h ASP 20 CO 0.06 0.07 0.09 0.15 -1.61 0.00 0.00 179.24 178.00 1x40 h PHE 21 N 0.16 0.83 0.00 0.28 3.57 -1.30 -2.94 116.94 117.53 1x40 h PHE 21 Ca 0.40 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.82 1x40 h PHE 21 Cb 1.33 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1x40 h PHE 21 CO -0.00 0.71 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.65 1x40 h LEU 22 N 0.76 0.00 -0.68 0.59 3.38 -0.05 -3.35 115.31 115.97 1x40 h LEU 22 Ca 0.16 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.25 1x40 h LEU 22 Cb 0.33 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.96 1x40 h LEU 22 CO 0.00 0.53 -0.25 0.23 0.09 0.00 0.00 178.44 179.05 1x40 n MET 23 N -4.74 -0.14 -0.20 1.13 2.81 -0.30 0.13 117.12 115.81 1x40 n MET 23 Ca -0.01 1.05 -0.03 0.00 -1.81 0.00 0.00 57.70 56.90 1x40 n MET 23 Cb 0.04 -1.55 0.04 0.00 -0.71 0.00 0.00 33.22 31.03 1x40 n MET 23 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1x40 h SER 24 N 0.00 -0.83 -0.02 7.83 0.87 -1.68 0.70 113.55 120.42 1x40 h SER 24 Ca 0.25 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1x40 h SER 24 Cb 0.42 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1x40 h SER 24 CO -0.68 -0.26 0.00 2.30 -0.53 0.00 0.00 176.83 177.67 1x40 n ILE 25 N -5.43 0.02 -3.53 2.23 -5.35 0.34 -4.91 119.36 102.73 1x40 n ILE 25 Ca 0.06 -0.12 -0.22 0.00 -0.27 0.00 0.00 62.75 62.19 1x40 n ILE 25 Cb 0.34 -0.04 0.08 0.00 -1.74 0.00 0.00 39.64 38.28 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 -0.43 -5.99 -0.12 7.28 4.13 0.24 -4.89 115.26 115.49 1x40 n ASN 26 Ca 0.20 -0.52 0.01 0.00 1.68 0.00 0.00 54.58 55.96 1x40 n ASN 26 Cb 0.21 -4.81 0.03 0.00 -1.54 0.00 0.00 39.78 33.67 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 -4.75 2.07 -0.39 3.41 7.99 -0.99 -4.74 117.00 119.60 1x40 n LEU 27 Ca -0.00 -1.89 0.35 0.00 -0.01 0.00 0.00 56.01 54.46 1x40 n LEU 27 Cb 0.56 -0.04 0.63 0.00 -0.11 0.00 0.00 43.42 44.46 1x40 n LEU 27 CO 0.61 0.51 1.14 -0.33 -1.51 0.00 0.00 177.39 177.82 1x40 h GLU 28 N 0.39 0.02 -1.24 3.23 5.08 -1.89 0.17 114.58 120.34 1x40 h GLU 28 Ca 0.00 -0.00 0.38 0.00 -1.00 0.00 0.00 59.36 58.74 1x40 h GLU 28 Cb 0.49 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.66 1x40 h GLU 28 CO 0.00 0.01 0.86 0.00 -1.00 0.00 0.00 179.01 178.88 1x40 n GLN 29 N -5.00 -0.01 -1.66 2.33 10.64 -1.26 0.16 117.38 122.57 1x40 n GLN 29 Ca 0.39 0.84 -0.34 0.00 -1.83 0.00 0.00 57.00 56.05 1x40 n GLN 29 Cb 1.41 -1.80 0.02 0.00 -0.86 0.00 0.00 30.24 29.00 1x40 n GLN 29 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1x40 n TYR 30 N -3.71 2.51 -0.07 2.61 4.01 0.60 -4.49 117.16 118.60 1x40 n TYR 30 Ca 0.31 -2.27 -0.22 0.00 -0.16 0.00 0.00 57.90 55.56 1x40 n TYR 30 Cb 1.32 -1.27 -0.12 0.00 -0.31 0.00 0.00 39.34 38.96 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 3.13 0.11 -0.62 7.72 5.85 0.13 -3.31 115.31 128.33 1x40 h LEU 31 Ca 0.50 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1x40 h LEU 31 Cb 0.38 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1x40 h LEU 31 CO 1.25 1.57 0.39 0.25 -0.34 0.00 0.00 178.44 181.56 1x40 h LEU 32 N -0.73 0.72 -0.13 2.25 7.12 -1.82 -0.70 115.31 122.03 1x40 h LEU 32 Ca -0.35 -0.04 0.04 0.00 0.13 0.00 0.00 57.88 57.66 1x40 h LEU 32 Cb 1.48 -0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 41.39 1x40 h LEU 32 CO -0.12 0.55 -0.10 0.45 -0.13 0.00 0.00 178.44 179.08 1x40 h HIS 33 N 0.84 -0.26 -0.24 1.25 -0.00 -1.88 0.35 115.15 115.22 1x40 h HIS 33 Ca 0.22 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 1x40 h HIS 33 Cb -0.06 0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 1x40 h HIS 33 CO -0.03 -0.16 0.12 0.74 -0.00 0.00 0.00 177.93 178.60 1x40 h PHE 34 N -0.12 0.34 0.00 2.45 -1.00 -1.59 -1.31 116.94 115.71 1x40 h PHE 34 Ca 0.09 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.85 1x40 h PHE 34 Cb 0.24 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1x40 h PHE 34 CO -0.23 0.32 0.00 0.72 -1.61 0.00 0.00 178.31 177.51 1x40 n HIS 35 N -4.84 0.00 -0.40 -0.55 8.25 -0.29 0.07 115.22 117.47 1x40 n HIS 35 Ca -0.03 0.00 0.38 0.00 -0.26 0.00 0.00 57.72 57.81 1x40 n HIS 35 Cb 0.09 -0.40 0.74 0.00 1.12 0.00 0.00 29.99 31.54 1x40 n HIS 35 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1x40 h GLU 36 N 0.00 0.04 -0.33 -0.41 5.08 -1.02 0.61 114.58 118.55 1x40 h GLU 36 Ca 0.00 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1x40 h GLU 36 Cb 0.00 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1x40 h GLU 36 CO 0.00 0.02 -0.39 0.77 -1.00 0.00 0.00 179.01 178.41 1x40 h SER 37 N 0.04 0.92 0.00 1.42 0.02 -0.83 -3.47 113.55 111.65 1x40 h SER 37 Ca 0.65 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1x40 h SER 37 Cb 2.51 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.79 1x40 h SER 37 CO -0.05 1.22 0.00 0.61 -1.14 0.00 0.00 176.83 177.47 1x40 n GLY 38 N 0.21 1.30 2.99 -3.77 0.00 0.21 -5.08 105.19 101.05 1x40 n GLY 38 Ca -0.03 0.00 -0.31 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 -1.30 3.56 -0.09 1.61 0.08 0.11 -4.93 117.98 117.02 1x40 s PHE 39 Ca 0.00 -2.98 0.09 0.00 0.12 0.00 0.00 56.93 54.15 1x40 s PHE 39 Cb 0.00 -2.85 -0.24 0.00 -0.57 0.00 0.00 43.02 39.36 1x40 s PHE 39 CO 0.00 -0.91 0.47 0.25 -0.10 0.00 0.00 175.22 174.93 1x40 n THR 40 N 4.06 1.61 -4.67 0.64 -2.24 -1.26 -3.72 114.28 108.70 1x40 n THR 40 Ca 0.04 -0.76 -0.30 0.00 -2.27 0.00 0.00 64.05 60.75 1x40 n THR 40 Cb 0.40 -1.13 -0.08 0.00 -2.10 0.00 0.00 70.33 67.42 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 -2.57 0.92 0.09 4.28 -4.23 -1.26 -0.30 115.64 112.57 1x40 s THR 41 Ca -0.11 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.25 1x40 s THR 41 Cb 0.07 -2.20 -0.10 0.00 1.34 0.00 0.00 72.50 71.61 1x40 s THR 41 CO 0.80 0.00 1.41 0.58 -0.54 0.00 0.00 174.62 176.87 1x40 h VAL 42 N 1.50 1.31 -0.47 2.29 2.07 -1.65 -3.24 116.25 118.06 1x40 h VAL 42 Ca -0.40 -1.44 0.10 0.00 0.82 0.00 0.00 66.70 65.77 1x40 h VAL 42 Cb 1.30 1.64 -0.10 0.00 -1.52 0.00 0.00 31.29 32.61 1x40 h VAL 42 CO 0.67 0.46 -0.19 0.50 0.02 0.00 0.00 177.57 179.02 1x40 h LYS 43 N 0.38 -0.09 -0.03 1.57 1.63 -1.97 0.50 116.57 118.56 1x40 h LYS 43 Ca 0.04 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1x40 h LYS 43 Cb 0.84 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.49 1x40 h LYS 43 CO 0.07 -0.06 0.49 -0.44 -3.45 0.00 0.00 179.45 176.06 1x40 h ASP 44 N -0.09 0.00 -0.33 4.20 3.32 -1.94 0.68 116.42 122.26 1x40 h ASP 44 Ca 0.22 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 1x40 h ASP 44 Cb 0.44 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 1x40 h ASP 44 CO -0.53 0.00 0.08 0.00 -1.72 0.00 0.00 179.24 177.07 1x40 h ALA 46 N 2.60 0.72 0.00 0.00 0.00 0.30 -3.25 119.26 119.64 1x40 h ALA 46 Ca 0.08 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 1x40 h ALA 46 Cb 1.41 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1x40 h ALA 46 CO 0.32 0.77 -1.80 0.00 0.00 0.00 0.00 179.25 178.54 1x40 n ALA 47 N -2.31 2.34 -1.66 0.00 0.00 -1.26 -4.96 120.51 112.67 1x40 n ALA 47 Ca 0.00 -0.64 -0.44 0.00 0.00 0.00 0.00 53.44 52.36 1x40 n ALA 47 Cb 0.71 -0.74 -0.02 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.55 1.40 -4.28 0.00 5.41 -1.23 -5.00 119.36 113.12 1x40 n ILE 48 Ca -0.10 -0.35 -0.15 0.00 1.00 0.00 0.00 62.75 63.15 1x40 n ILE 48 Cb 0.73 -1.36 -0.10 0.00 -0.71 0.00 0.00 39.64 38.20 1x40 n ILE 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1x40 s ASN 49 N -0.04 0.98 0.17 4.38 0.01 -1.26 -4.99 114.94 114.19 1x40 s ASN 49 Ca 0.64 -1.36 -0.27 0.00 -0.71 0.00 0.00 52.86 51.15 1x40 s ASN 49 Cb -0.66 0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.21 1x40 s ASN 49 CO 0.55 -0.74 1.50 -0.90 -1.51 0.00 0.00 177.10 176.00 1x40 n ASP 50 N -0.40 -0.94 -0.26 -1.22 5.75 -1.26 0.13 116.55 118.36 1x40 n ASP 50 Ca -0.00 1.72 0.14 0.00 -0.01 0.00 0.00 54.79 56.64 1x40 n ASP 50 Cb 0.66 -0.26 0.42 0.00 -1.03 0.00 0.00 41.12 40.90 1x40 n ASP 50 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1x40 h SER 51 N 0.00 0.58 0.24 -1.12 0.02 -1.98 -1.83 113.55 109.46 1x40 h SER 51 Ca 0.20 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1x40 h SER 51 Cb 0.44 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1x40 h SER 51 CO -0.93 0.28 -0.11 0.25 -1.14 0.00 0.00 176.83 175.18 1x40 h LEU 52 N 0.61 -0.27 -0.60 5.07 7.12 0.68 -1.34 115.31 126.58 1x40 h LEU 52 Ca 0.45 -0.10 0.12 0.00 0.13 0.00 0.00 57.88 58.48 1x40 h LEU 52 Cb 0.84 0.07 -0.10 0.00 -0.53 0.00 0.00 40.66 40.93 1x40 h LEU 52 CO -0.20 -0.06 -0.04 -0.07 -0.13 0.00 0.00 178.44 177.94 1x40 h LEU 53 N -0.47 -0.35 -0.05 2.25 -0.00 -0.27 0.83 115.31 117.24 1x40 h LEU 53 Ca -0.03 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 1x40 h LEU 53 Cb 0.36 0.29 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 1x40 h LEU 53 CO 0.05 -0.14 0.00 0.00 -0.00 0.00 0.00 178.44 178.36 1x40 n GLN 54 N -5.32 0.02 0.04 1.13 10.64 -0.99 -2.82 117.38 120.08 1x40 n GLN 54 Ca 0.08 0.20 -0.20 0.00 -1.83 0.00 0.00 57.00 55.25 1x40 n GLN 54 Cb 0.33 -1.54 -0.14 0.00 -0.86 0.00 0.00 30.24 28.04 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 0.28 0.00 2.61 3.64 0.18 -3.34 116.57 119.94 1x40 h LYS 55 Ca 0.00 -0.48 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 1x40 h LYS 55 Cb 0.33 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1x40 h LYS 55 CO 0.00 1.17 -0.12 -0.84 -2.27 0.00 0.00 179.45 177.38 1x40 h ILE 56 N 0.08 0.59 0.00 2.00 3.07 -0.75 -3.46 117.51 119.04 1x40 h ILE 56 Ca -0.36 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.51 1x40 h ILE 56 Cb 2.05 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 39.95 1x40 h ILE 56 CO 0.13 0.12 0.00 0.61 -1.05 0.00 0.00 178.15 177.96 1x40 n GLY 57 N -0.69 3.07 2.33 0.16 0.00 -1.22 -4.87 105.19 103.98 1x40 n GLY 57 Ca -0.02 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.81 119.36 118.37 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 -1.28 0.00 0.00 0.00 176.55 175.27 1x40 h SER 59 N 7.12 -0.39 -4.05 4.38 0.87 -1.89 -3.38 113.55 116.20 1x40 h SER 59 Ca -0.06 -0.02 -0.50 0.00 -1.23 0.00 0.00 61.79 59.98 1x40 h SER 59 Cb 0.96 0.10 0.07 0.00 -0.44 0.00 0.00 62.40 63.09 1x40 h SER 59 CO 0.84 0.06 0.45 -2.16 -0.53 0.00 0.00 176.83 175.50 1x40 s PRO 60 N -3.15 3.51 -0.17 2.24 0.04 -1.26 -4.99 135.00 131.22 1x40 s PRO 60 Ca -0.08 1.67 -0.14 0.00 0.04 0.00 0.00 61.00 62.49 1x40 s PRO 60 Cb 0.01 -2.16 -0.22 0.00 0.04 0.00 0.00 34.50 32.17 1x40 s PRO 60 CO 0.24 -0.74 0.27 2.41 0.04 0.00 0.00 177.00 179.22 1x40 n THR 61 N -0.99 1.65 -0.55 1.26 -1.04 -1.26 -3.91 114.28 109.45 1x40 n THR 61 Ca 0.10 -0.34 0.43 0.00 -2.04 0.00 0.00 64.05 62.20 1x40 n THR 61 Cb 0.50 -1.89 0.68 0.00 -1.82 0.00 0.00 70.33 67.79 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 1.70 -0.82 0.12 3.41 0.00 -1.26 0.23 105.19 108.57 1x40 n GLY 62 Ca -0.33 0.63 -0.19 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 0.55 -0.44 1.61 -0.00 -2.00 -3.25 115.15 111.63 1x40 h HIS 63 Ca 0.81 -0.40 0.08 0.00 -0.00 0.00 0.00 60.37 60.86 1x40 h HIS 63 Cb 3.02 -0.02 -0.07 0.00 -0.00 0.00 0.00 27.41 30.34 1x40 h HIS 63 CO -0.00 1.50 0.01 0.00 -0.00 0.00 0.00 177.93 179.43 1x40 h ARG 64 N 0.08 0.12 -0.69 2.45 3.08 0.27 0.37 114.38 120.06 1x40 h ARG 64 Ca -0.29 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.69 1x40 h ARG 64 Cb 2.05 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 32.05 1x40 h ARG 64 CO 0.16 0.08 0.17 0.00 -1.07 0.00 0.00 179.97 179.32 1x40 h ARG 65 N 0.12 1.10 -0.47 0.04 3.08 -1.57 -2.62 114.38 114.06 1x40 h ARG 65 Ca 0.22 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1x40 h ARG 65 Cb 0.31 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1x40 h ARG 65 CO -0.35 0.97 0.30 -0.09 -1.07 0.00 0.00 179.97 179.73 1x40 h ARG 66 N 1.03 0.62 0.50 0.04 2.43 -1.32 0.28 114.38 117.96 1x40 h ARG 66 Ca 0.22 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1x40 h ARG 66 Cb 0.36 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1x40 h ARG 66 CO 0.00 0.42 -0.33 0.82 -1.51 0.00 0.00 179.97 179.37 1x40 h ILE 67 N 0.63 0.32 0.08 1.20 2.04 -0.79 -2.62 117.51 118.37 1x40 h ILE 67 Ca 0.17 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 1x40 h ILE 67 Cb -0.06 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1x40 h ILE 67 CO -0.04 0.00 -0.04 -0.07 0.00 0.00 0.00 178.15 178.01 1x40 h LEU 68 N -0.80 -0.09 -0.98 1.44 3.38 -1.38 -1.60 115.31 115.28 1x40 h LEU 68 Ca -0.06 -0.04 0.26 0.00 0.09 0.00 0.00 57.88 58.14 1x40 h LEU 68 Cb 0.66 0.02 -0.18 0.00 0.09 0.00 0.00 40.66 41.25 1x40 h LEU 68 CO 0.04 -0.02 0.02 0.50 0.09 0.00 0.00 178.44 179.07 1x40 h LYS 69 N -0.15 0.01 -0.05 1.13 1.63 -0.38 0.92 116.57 119.68 1x40 h LYS 69 Ca -0.01 -0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.59 1x40 h LYS 69 Cb 0.12 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1x40 h LYS 69 CO 0.02 0.01 -0.81 1.96 -3.45 0.00 0.00 179.45 177.17 1x40 h GLN 70 N 0.01 0.42 -0.73 1.90 1.08 -1.21 -2.95 115.11 113.63 1x40 h GLN 70 Ca 0.59 -0.39 0.03 0.00 -1.45 0.00 0.00 58.65 57.44 1x40 h GLN 70 Cb 1.20 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 28.68 1x40 h GLN 70 CO -0.92 1.04 0.48 -0.07 -0.95 0.00 0.00 178.83 178.41 1x40 h LEU 71 N 0.27 0.77 -0.06 1.46 3.38 0.18 0.14 115.31 121.44 1x40 h LEU 71 Ca -0.05 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1x40 h LEU 71 Cb 1.42 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1x40 h LEU 71 CO 0.14 0.53 -0.18 1.56 0.09 0.00 0.00 178.44 180.58 1x40 h GLN 72 N 0.89 0.22 -0.75 1.13 1.08 -0.91 -0.71 115.11 116.06 1x40 h GLN 72 Ca 0.29 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 1x40 h GLN 72 Cb 0.06 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 1x40 h GLN 72 CO -0.08 0.78 0.40 0.82 -0.95 0.00 0.00 178.83 179.80 1x40 h ILE 73 N -0.30 1.23 0.47 2.54 2.04 -1.30 -0.56 117.51 121.63 1x40 h ILE 73 Ca -0.01 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 1x40 h ILE 73 Cb 0.80 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1x40 h ILE 73 CO 0.04 0.26 -0.22 0.40 0.00 0.00 0.00 178.15 178.62 1x40 h ILE 74 N 1.04 0.12 -0.56 -0.67 2.04 -0.79 -3.27 117.51 115.43 1x40 h ILE 74 Ca 0.26 -0.56 0.11 0.00 1.00 0.00 0.00 64.86 65.68 1x40 h ILE 74 Cb 0.06 0.19 -0.10 0.00 -0.74 0.00 0.00 36.82 36.22 1x40 h ILE 74 CO -0.04 0.03 -0.11 -0.07 0.00 0.00 0.00 178.15 177.95 1x40 h LEU 75 N -1.13 -0.47 -1.00 1.44 3.38 -1.13 -1.53 115.31 114.88 1x40 h LEU 75 Ca -0.06 0.16 0.16 0.00 0.09 0.00 0.00 57.88 58.23 1x40 h LEU 75 Cb 0.53 0.33 -0.17 0.00 0.09 0.00 0.00 40.66 41.43 1x40 h LEU 75 CO 0.11 -0.17 -0.36 -0.24 0.09 0.00 0.00 178.44 177.86 1x40 n SER 76 N -5.37 -0.59 0.40 -0.43 2.88 -0.22 -0.96 113.62 109.34 1x40 n SER 76 Ca 0.06 1.74 -0.19 0.00 -1.33 0.00 0.00 58.87 59.15 1x40 n SER 76 Cb 0.30 -0.42 -0.09 0.00 -0.75 0.00 0.00 64.21 63.24 1x40 n SER 76 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1x40 h LYS 77 N 0.00 -1.05 -6.40 -1.46 1.57 -1.33 -3.43 116.57 104.48 1x40 h LYS 77 Ca 0.37 0.07 -0.63 0.00 -1.87 0.00 0.00 60.65 58.60 1x40 h LYS 77 Cb 0.62 0.24 0.09 0.00 0.08 0.00 0.00 32.23 33.26 1x40 h LYS 77 CO -1.00 -0.70 0.22 -1.33 -0.57 0.00 0.00 179.45 176.07 1x40 n MET 78 N -5.57 1.27 -3.28 3.15 2.81 -0.13 -4.94 117.12 110.42 1x40 n MET 78 Ca -0.14 0.45 -0.39 0.00 -1.81 0.00 0.00 57.70 55.81 1x40 n MET 78 Cb 0.45 -1.90 -0.06 0.00 -0.71 0.00 0.00 33.22 31.01 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 -0.85 4.21 -0.58 0.03 0.00 -1.26 -4.92 119.66 116.29 1x40 s GLN 79 Ca 0.67 0.67 -0.02 0.00 -0.00 0.00 0.00 55.36 56.68 1x40 s GLN 79 Cb -0.78 -3.28 0.29 0.00 0.00 0.00 0.00 33.01 29.24 1x40 s GLN 79 CO 0.55 0.53 2.18 -0.25 0.00 0.00 0.00 175.29 178.30 1x40 n ASP 80 N 2.19 7.12 -4.59 12.60 8.00 -1.26 -4.94 116.55 135.67 1x40 n ASP 80 Ca -0.09 -3.50 -0.32 0.00 0.71 0.00 0.00 54.79 51.58 1x40 n ASP 80 Cb 0.51 -1.07 -0.10 0.00 -0.02 0.00 0.00 41.12 40.44 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 -3.73 3.64 0.75 0.53 -4.36 -1.26 -5.12 121.20 111.66 1x40 s ILE 81 Ca 0.52 -0.78 -0.11 0.00 -0.26 0.00 0.00 60.65 60.02 1x40 s ILE 81 Cb 0.40 -2.59 0.04 0.00 1.25 0.00 0.00 42.46 41.57 1x40 s ILE 81 CO -0.14 0.39 1.10 -2.16 0.24 0.00 0.00 174.94 174.36 1x40 s PRO 82 N -1.43 2.38 -0.47 0.37 0.04 -1.26 -4.96 135.00 129.67 1x40 s PRO 82 Ca 0.17 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 1x40 s PRO 82 Cb -0.11 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1x40 s PRO 82 CO 0.08 -1.56 1.33 0.42 0.04 0.00 0.00 177.00 177.30 1x40 s ILE 83 N -2.78 3.96 -0.33 0.56 1.01 -1.26 -4.87 121.20 117.50 1x40 s ILE 83 Ca 0.62 0.94 0.07 0.00 0.00 0.00 0.00 60.65 62.29 1x40 s ILE 83 Cb -0.18 -4.40 0.46 0.00 0.01 0.00 0.00 42.46 38.36 1x40 s ILE 83 CO 0.53 -0.95 1.36 -1.22 0.00 0.00 0.00 174.94 174.65 1x40 n TYR 84 N 8.71 2.10 -0.06 3.97 4.02 -1.26 -4.74 117.16 129.90 1x40 n TYR 84 Ca 0.14 -2.11 -0.06 0.00 -0.01 0.00 0.00 57.90 55.86 1x40 n TYR 84 Cb 0.49 -0.51 -0.04 0.00 -0.02 0.00 0.00 39.34 39.26 1x40 n TYR 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1x40 h ALA 85 N 1.76 0.03 -1.81 -0.72 0.00 -2.00 -3.44 119.26 113.07 1x40 h ALA 85 Ca 0.32 -0.33 -0.57 0.00 0.00 0.00 0.00 54.91 54.32 1x40 h ALA 85 Cb 1.39 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 19.29 1x40 h ALA 85 CO 0.69 0.19 0.82 -1.54 0.00 0.00 0.00 179.25 179.41 1x40 s SER 86 N -5.85 6.64 0.00 0.00 1.04 -1.26 -4.97 113.70 109.30 1x40 s SER 86 Ca -0.10 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.80 1x40 s SER 86 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1x40 s SER 86 CO 0.24 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1x40 n GLY 87 N 4.72 1.30 0.00 7.32 0.00 -1.26 -4.42 105.19 112.84 1x40 n GLY 87 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.20 1x40 n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x40 n PRO 88 N 0.00 0.35 -3.26 1.61 -0.04 -1.26 -4.53 135.00 127.87 1x40 n PRO 88 Ca 0.00 0.07 -0.44 0.00 -0.04 0.00 0.00 63.50 63.09 1x40 n PRO 88 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 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 -2.28 6.19 -0.29 3.54 0.01 -1.26 -5.00 113.70 114.61 1x40 s SER 89 Ca 0.19 -1.11 -0.06 0.00 1.31 0.00 0.00 55.95 56.27 1x40 s SER 89 Cb 0.10 -2.24 0.15 0.00 0.21 0.00 0.00 66.02 64.24 1x40 s SER 89 CO 0.20 -0.79 0.60 -0.94 0.41 0.00 0.00 173.24 172.72 1x40 s SER 90 N 2.69 -1.09 0.00 2.44 1.04 -1.26 -4.76 113.70 112.76 1x40 s SER 90 Ca 0.10 1.23 0.00 0.00 0.48 0.00 0.00 55.95 57.76 1x40 s SER 90 Cb -0.22 2.12 0.00 0.00 0.10 0.00 0.00 66.02 68.03 1x40 s SER 90 CO 0.09 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.69