#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pxy s VAL 4 N 0.00 4.40 -0.03 0.00 1.01 -1.26 -3.49 120.40 121.03 2pxy s VAL 4 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2pxy s VAL 4 Cb 0.00 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 2pxy s VAL 4 CO 0.00 0.48 -0.18 0.42 0.00 0.00 0.00 175.10 175.83 2pxy s THR 5 N 0.28 1.42 0.13 3.92 -4.23 -0.24 -4.46 115.64 112.46 2pxy s THR 5 Ca 0.01 -0.74 0.07 0.00 -1.18 0.00 0.00 61.69 59.84 2pxy s THR 5 Cb -0.13 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 2pxy s THR 5 CO 0.01 0.41 -0.05 -1.10 -0.54 0.00 0.00 174.62 173.35 2pxy s GLN 6 N -0.17 2.28 -0.06 3.99 -0.21 -1.26 -1.26 119.66 122.98 2pxy s GLN 6 Ca 0.01 -1.03 -0.02 0.00 0.02 0.00 0.00 55.36 54.34 2pxy s GLN 6 Cb -0.09 -2.36 0.04 0.00 1.00 0.00 0.00 33.01 31.60 2pxy s GLN 6 CO 0.01 0.50 0.11 0.45 -2.12 0.00 0.00 175.29 174.24 2pxy s SER 7 N -2.47 0.27 0.81 5.90 0.15 0.47 -4.35 113.70 114.47 2pxy s SER 7 Ca 0.24 0.22 -0.05 0.00 0.70 0.00 0.00 55.95 57.06 2pxy s SER 7 Cb -0.11 0.11 0.16 0.00 -1.71 0.00 0.00 66.02 64.48 2pxy s SER 7 CO 0.16 -0.18 1.11 -2.16 1.20 0.00 0.00 173.24 173.38 2pxy s PRO 8 N 1.52 1.26 -0.02 5.44 0.04 -1.26 0.77 135.00 142.76 2pxy s PRO 8 Ca -0.05 -0.95 -0.11 0.00 0.04 0.00 0.00 61.00 59.93 2pxy s PRO 8 Cb -0.12 -2.17 -0.31 0.00 0.04 0.00 0.00 34.50 31.93 2pxy s PRO 8 CO -0.05 -1.82 0.79 0.00 0.04 0.00 0.00 177.00 175.96 2pxy h ARG 9 N -0.92 0.41 -5.70 4.56 2.47 -1.85 -3.42 114.38 109.93 2pxy h ARG 9 Ca -0.38 -0.69 -0.50 0.00 -1.26 0.00 0.00 59.98 57.15 2pxy h ARG 9 Cb 1.25 0.26 -0.24 0.00 -1.65 0.00 0.00 29.97 29.59 2pxy h ARG 9 CO 0.38 1.32 -0.81 -0.80 0.56 0.00 0.00 179.97 180.61 2pxy s ASN 10 N -7.31 2.06 -0.29 7.04 0.01 -1.26 -0.43 114.94 114.76 2pxy s ASN 10 Ca -0.13 -0.55 -0.13 0.00 -0.71 0.00 0.00 52.86 51.33 2pxy s ASN 10 Cb 0.05 -0.13 0.13 0.00 0.41 0.00 0.00 41.25 41.71 2pxy s ASN 10 CO 0.88 0.05 0.76 -0.75 -1.51 0.00 0.00 177.10 176.53 2pxy s LYS 11 N -1.43 0.53 -0.14 -0.60 2.47 -0.74 -4.96 119.74 114.87 2pxy s LYS 11 Ca 0.03 1.16 -0.05 0.00 -1.56 0.00 0.00 55.97 55.56 2pxy s LYS 11 Cb -0.09 0.51 -0.03 0.00 -1.46 0.00 0.00 37.83 36.75 2pxy s LYS 11 CO 0.02 -0.15 0.02 0.08 0.16 0.00 0.00 175.35 175.48 2pxy s VAL 12 N 2.30 4.44 0.20 4.02 1.01 -1.26 -1.85 120.40 129.26 2pxy s VAL 12 Ca -0.07 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2pxy s VAL 12 Cb -0.08 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 2pxy s VAL 12 CO -0.18 0.52 0.02 0.00 0.00 0.00 0.00 175.10 175.46 2pxy s ALA 13 N -0.11 1.53 0.10 5.51 0.00 -0.62 -4.98 121.76 123.19 2pxy s ALA 13 Ca 0.05 -1.69 0.05 0.00 0.00 0.00 0.00 51.96 50.37 2pxy s ALA 13 Cb -0.12 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 2pxy s ALA 13 CO 0.02 -0.34 0.02 0.14 0.00 0.00 0.00 175.76 175.60 2pxy s VAL 14 N -3.63 4.11 0.21 0.00 -7.23 -1.26 -0.17 120.40 112.44 2pxy s VAL 14 Ca 0.28 -0.98 -0.32 0.00 -1.81 0.00 0.00 61.98 59.15 2pxy s VAL 14 Cb 0.06 -2.98 -0.14 0.00 0.56 0.00 0.00 36.38 33.88 2pxy s VAL 14 CO 0.07 0.10 1.32 0.41 -0.31 0.00 0.00 175.10 176.69 2pxy n THR 15 N 0.46 0.92 -0.26 5.32 -1.04 -1.26 -1.28 114.28 117.14 2pxy n THR 15 Ca -0.10 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 2pxy n THR 15 Cb 0.52 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 2pxy n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2pxy n GLY 16 N 2.12 1.42 3.79 3.41 0.00 0.20 -4.90 105.19 111.23 2pxy n GLY 16 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2pxy n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pxy s GLU 17 N -0.38 3.98 -0.33 1.61 2.12 -0.41 -4.45 118.70 120.85 2pxy s GLU 17 Ca 0.00 1.49 -0.20 0.00 0.36 0.00 0.00 54.97 56.62 2pxy s GLU 17 Cb 0.00 -2.36 -0.00 0.00 0.26 0.00 0.00 34.13 32.03 2pxy s GLU 17 CO 0.00 -0.30 0.63 0.21 -0.54 0.00 0.00 175.26 175.26 2pxy s LYS 18 N -2.79 3.79 -0.05 4.30 2.20 -1.23 -1.15 119.74 124.81 2pxy s LYS 18 Ca 0.62 0.17 0.06 0.00 -0.36 0.00 0.00 55.97 56.46 2pxy s LYS 18 Cb -0.21 -3.77 -0.01 0.00 -1.51 0.00 0.00 37.83 32.33 2pxy s LYS 18 CO 0.26 -0.65 -0.24 0.08 -0.36 0.00 0.00 175.35 174.44 2pxy s VAL 19 N 2.64 2.17 -0.09 4.02 1.01 0.72 -4.98 120.40 125.90 2pxy s VAL 19 Ca 0.25 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2pxy s VAL 19 Cb -0.15 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.47 2pxy s VAL 19 CO 0.13 0.57 -0.10 -0.89 0.00 0.00 0.00 175.10 174.81 2pxy s THR 20 N -0.28 1.11 -0.13 3.92 2.01 -1.26 0.12 115.64 121.13 2pxy s THR 20 Ca 0.00 -0.40 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 2pxy s THR 20 Cb -0.13 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 2pxy s THR 20 CO 0.03 0.37 0.05 -0.76 -0.69 0.00 0.00 174.62 173.62 2pxy s LEU 21 N 1.20 3.85 0.03 4.42 1.02 0.91 -4.75 118.68 125.36 2pxy s LEU 21 Ca -0.04 0.20 0.03 0.00 0.02 0.00 0.00 54.13 54.34 2pxy s LEU 21 Cb -0.14 -1.93 -0.04 0.00 0.02 0.00 0.00 46.19 44.11 2pxy s LEU 21 CO -0.03 0.32 -0.03 -0.44 0.02 0.00 0.00 176.35 176.19 2pxy s SER 22 N -0.50 4.86 -0.02 2.29 0.01 0.23 -0.96 113.70 119.61 2pxy s SER 22 Ca 0.10 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.24 2pxy s SER 22 Cb -0.12 -1.17 0.01 0.00 0.21 0.00 0.00 66.02 64.96 2pxy s SER 22 CO 0.02 0.24 -0.03 0.00 0.41 0.00 0.00 173.24 173.88 2pxy s ASN 24 N 0.44 0.98 -0.02 0.00 2.47 -0.39 -1.61 114.94 116.81 2pxy s ASN 24 Ca -0.05 -0.15 0.01 0.00 0.42 0.00 0.00 52.86 53.10 2pxy s ASN 24 Cb -0.08 -0.33 0.01 0.00 -1.45 0.00 0.00 41.25 39.40 2pxy s ASN 24 CO -0.01 0.02 -0.04 0.00 -3.72 0.00 0.00 177.10 173.35 2pxy s GLN 25 N 0.42 0.54 -0.33 0.43 1.03 -0.16 -1.08 119.66 120.50 2pxy s GLN 25 Ca -0.06 -0.11 0.08 0.00 0.04 0.00 0.00 55.36 55.31 2pxy s GLN 25 Cb -0.10 -0.57 0.55 0.00 0.03 0.00 0.00 33.01 32.92 2pxy s GLN 25 CO 0.00 0.00 1.59 0.25 -2.54 0.00 0.00 175.29 174.59 2pxy n THR 26 N 3.55 2.72 0.83 3.63 -2.24 -1.23 -4.41 114.28 117.14 2pxy n THR 26 Ca -0.20 -2.51 0.12 0.00 -2.27 0.00 0.00 64.05 59.19 2pxy n THR 26 Cb 0.54 -0.36 0.26 0.00 -2.10 0.00 0.00 70.33 68.68 2pxy n THR 26 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2pxy n ASN 27 N -1.10 0.52 -2.04 3.42 5.03 -1.26 -4.78 115.26 115.05 2pxy n ASN 27 Ca 0.40 -0.02 -0.15 0.00 0.87 0.00 0.00 54.58 55.68 2pxy n ASN 27 Cb 1.20 0.12 0.02 0.00 -1.02 0.00 0.00 39.78 40.10 2pxy n ASN 27 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2pxy n ASN 28 N -1.74 -4.62 -4.77 6.41 4.05 -1.26 -4.99 115.26 108.33 2pxy n ASN 28 Ca 0.05 -0.16 -0.39 0.00 0.45 0.00 0.00 54.58 54.52 2pxy n ASN 28 Cb 0.38 -3.54 -0.06 0.00 1.23 0.00 0.00 39.78 37.79 2pxy n ASN 28 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 2pxy s HIS 29 N -2.93 3.87 0.16 1.20 3.76 -1.26 -4.98 115.29 115.11 2pxy s HIS 29 Ca 0.17 1.59 0.05 0.00 -0.15 0.00 0.00 55.06 56.72 2pxy s HIS 29 Cb -0.08 -2.77 -0.04 0.00 1.11 0.00 0.00 32.58 30.81 2pxy s HIS 29 CO 0.21 0.47 1.36 -0.91 -0.85 0.00 0.00 174.74 175.03 2pxy h ASN 30 N 4.60 0.14 -2.76 1.40 2.35 -1.83 -3.45 115.58 116.04 2pxy h ASN 30 Ca -0.47 -0.12 -0.65 0.00 -0.55 0.00 0.00 56.30 54.51 2pxy h ASN 30 Cb 1.21 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 39.47 2pxy h ASN 30 CO 0.67 0.97 -0.42 0.20 -1.65 0.00 0.00 177.43 177.20 2pxy s ASN 31 N -6.86 6.47 0.01 5.81 -0.87 -0.79 -2.97 114.94 115.74 2pxy s ASN 31 Ca -0.01 0.55 0.00 0.00 -1.57 0.00 0.00 52.86 51.83 2pxy s ASN 31 Cb 0.10 -2.09 -0.01 0.00 -0.02 0.00 0.00 41.25 39.23 2pxy s ASN 31 CO 0.82 0.36 -0.02 -0.04 -2.57 0.00 0.00 177.10 175.65 2pxy s MET 32 N -1.25 0.15 0.06 -0.60 -1.94 -0.87 -1.36 119.30 113.49 2pxy s MET 32 Ca 0.20 -0.27 0.01 0.00 -1.71 0.00 0.00 55.69 53.91 2pxy s MET 32 Cb -0.13 0.03 -0.03 0.00 2.01 0.00 0.00 34.83 36.70 2pxy s MET 32 CO 0.09 -0.02 -0.05 0.71 -0.01 0.00 0.00 175.02 175.75 2pxy s TYR 33 N -0.64 0.59 -0.16 -0.03 1.51 0.38 -0.20 117.35 118.81 2pxy s TYR 33 Ca -0.07 -0.81 0.00 0.00 -1.01 0.00 0.00 57.07 55.18 2pxy s TYR 33 Cb -0.04 -0.39 0.03 0.00 -0.11 0.00 0.00 41.96 41.45 2pxy s TYR 33 CO -0.00 -0.23 -0.12 -1.58 -1.11 0.00 0.00 175.55 172.51 2pxy s TRP 34 N -2.88 2.11 0.27 2.71 0.52 0.78 -1.68 118.94 120.77 2pxy s TRP 34 Ca 0.01 -1.24 0.11 0.00 0.02 0.00 0.00 56.10 55.00 2pxy s TRP 34 Cb 0.00 -1.54 -0.05 0.00 -1.15 0.00 0.00 33.47 30.74 2pxy s TRP 34 CO -0.05 -0.66 -0.17 0.71 0.02 0.00 0.00 176.95 176.80 2pxy s TYR 35 N 1.50 2.37 0.14 -1.98 1.51 0.34 -0.70 117.35 120.53 2pxy s TYR 35 Ca 0.03 -0.31 0.10 0.00 -1.01 0.00 0.00 57.07 55.88 2pxy s TYR 35 Cb -0.14 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 2pxy s TYR 35 CO -0.10 0.69 -0.24 -0.98 -1.11 0.00 0.00 175.55 173.81 2pxy s ARG 36 N -3.49 1.36 -0.10 -0.62 1.70 -0.85 -0.18 118.95 116.76 2pxy s ARG 36 Ca 0.30 -1.36 0.02 0.00 -0.47 0.00 0.00 55.73 54.22 2pxy s ARG 36 Cb -0.05 -1.73 0.01 0.00 -0.57 0.00 0.00 34.95 32.61 2pxy s ARG 36 CO 0.16 0.39 -0.17 -1.14 -1.08 0.00 0.00 175.30 173.46 2pxy s GLN 37 N -2.26 2.38 -0.03 3.89 0.74 0.37 -1.57 119.66 123.19 2pxy s GLN 37 Ca 0.14 -0.63 -0.05 0.00 0.05 0.00 0.00 55.36 54.87 2pxy s GLN 37 Cb -0.09 -1.94 0.01 0.00 1.10 0.00 0.00 33.01 32.09 2pxy s GLN 37 CO 0.07 0.01 0.13 -0.51 -0.55 0.00 0.00 175.29 174.43 2pxy s ASP 38 N 0.77 -0.06 0.20 6.67 1.01 -0.91 -3.25 116.67 121.09 2pxy s ASP 38 Ca -0.11 0.07 -0.33 0.00 0.71 0.00 0.00 52.55 52.89 2pxy s ASP 38 Cb -0.16 0.25 -0.14 0.00 1.01 0.00 0.00 42.92 43.88 2pxy s ASP 38 CO 0.02 -0.17 1.50 0.41 0.21 0.00 0.00 175.17 177.14 2pxy n THR 39 N 2.40 0.43 0.00 -1.27 -1.04 -1.26 -1.00 114.28 112.53 2pxy n THR 39 Ca -0.17 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 2pxy n THR 39 Cb 0.58 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 2pxy n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2pxy n GLY 40 N 2.83 3.08 0.01 3.41 0.00 -1.26 -4.76 105.19 108.49 2pxy n GLY 40 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 2pxy n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pxy n HIS 41 N -1.38 0.00 -4.48 1.61 -0.00 -0.17 -5.09 115.22 105.70 2pxy n HIS 41 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2pxy n HIS 41 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 29.99 29.71 2pxy n HIS 41 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2pxy n GLY 42 N 1.82 1.39 3.83 -1.41 0.00 -0.50 -4.64 105.19 105.68 2pxy n GLY 42 Ca -0.02 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 2pxy n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pxy s LEU 43 N 0.00 4.34 -0.07 0.99 1.43 -1.26 -2.14 118.68 121.96 2pxy s LEU 43 Ca 0.00 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 2pxy s LEU 43 Cb 0.00 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 44.11 2pxy s LEU 43 CO 0.00 0.33 -0.09 -0.13 0.23 0.00 0.00 176.35 176.69 2pxy s ARG 44 N -0.60 1.46 0.02 1.70 0.52 -0.61 -4.96 118.95 116.48 2pxy s ARG 44 Ca 0.14 -0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 54.75 2pxy s ARG 44 Cb -0.12 -1.33 -0.06 0.00 0.52 0.00 0.00 34.95 33.96 2pxy s ARG 44 CO 0.03 -0.08 1.36 -1.17 0.02 0.00 0.00 175.30 175.46 2pxy s LEU 45 N 1.02 4.33 -0.24 2.53 2.96 -1.26 -2.01 118.68 126.00 2pxy s LEU 45 Ca -0.08 2.12 -0.16 0.00 -0.22 0.00 0.00 54.13 55.79 2pxy s LEU 45 Cb -0.15 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.87 2pxy s LEU 45 CO -0.00 -0.67 -0.32 -0.38 -1.32 0.00 0.00 176.35 173.66 2pxy n ILE 46 N 4.45 1.52 -3.66 6.68 5.41 0.12 -0.31 119.36 133.56 2pxy n ILE 46 Ca 0.12 -0.19 -0.14 0.00 1.00 0.00 0.00 62.75 63.54 2pxy n ILE 46 Cb 0.44 -2.05 -0.07 0.00 -0.71 0.00 0.00 39.64 37.26 2pxy n ILE 46 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2pxy s TYR 47 N -2.61 -0.30 0.22 1.39 1.51 -1.19 -0.41 117.35 115.96 2pxy s TYR 47 Ca -0.35 0.35 -0.11 0.00 -1.01 0.00 0.00 57.07 55.96 2pxy s TYR 47 Cb 0.11 0.22 -0.01 0.00 -0.11 0.00 0.00 41.96 42.17 2pxy s TYR 47 CO 0.47 -0.54 0.39 1.52 -1.11 0.00 0.00 175.55 176.28 2pxy s TYR 48 N -2.08 0.46 -0.03 2.71 1.13 -0.33 -0.16 117.35 119.05 2pxy s TYR 48 Ca -0.08 -0.80 -0.02 0.00 -1.41 0.00 0.00 57.07 54.76 2pxy s TYR 48 Cb -0.02 0.04 0.01 0.00 -1.10 0.00 0.00 41.96 40.90 2pxy s TYR 48 CO 0.01 -0.88 0.07 0.45 -2.51 0.00 0.00 175.55 172.69 2pxy s SER 49 N -3.02 -0.07 0.00 -0.18 0.15 0.72 0.22 113.70 111.52 2pxy s SER 49 Ca 0.23 0.15 0.26 0.00 0.70 0.00 0.00 55.95 57.29 2pxy s SER 49 Cb 0.01 0.15 0.76 0.00 -1.71 0.00 0.00 66.02 65.22 2pxy s SER 49 CO 0.07 -0.03 1.57 -1.22 1.20 0.00 0.00 173.24 174.82 2pxy n TYR 50 N 3.11 0.00 0.00 3.44 4.01 -1.26 -2.05 117.16 124.41 2pxy n TYR 50 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2pxy n TYR 50 Cb 0.59 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 2pxy n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pxy n GLY 51 N 1.36 1.72 3.62 2.72 0.00 -1.16 -4.53 105.19 108.93 2pxy n GLY 51 Ca 0.11 -1.07 -0.53 0.00 0.00 0.00 0.00 46.02 44.54 2pxy n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pxy n ALA 52 N -0.85 -0.63 0.00 4.61 0.00 -1.26 -0.51 120.51 121.87 2pxy n ALA 52 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2pxy n ALA 52 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.32 2pxy n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pxy n GLY 53 N 2.93 2.15 3.88 0.00 0.00 0.11 -4.98 105.19 109.28 2pxy n GLY 53 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 2pxy n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pxy s SER 54 N -2.05 6.45 -0.11 1.61 0.15 0.34 -4.93 113.70 115.15 2pxy s SER 54 Ca 0.00 0.51 -0.04 0.00 0.70 0.00 0.00 55.95 57.11 2pxy s SER 54 Cb 0.00 -2.07 0.06 0.00 -1.71 0.00 0.00 66.02 62.29 2pxy s SER 54 CO 0.00 0.33 0.21 0.28 1.20 0.00 0.00 173.24 175.26 2pxy s THR 55 N -1.18 -0.34 -0.07 6.45 -1.32 -1.26 -4.45 115.64 113.48 2pxy s THR 55 Ca 0.22 0.30 0.05 0.00 -1.21 0.00 0.00 61.69 61.05 2pxy s THR 55 Cb -0.13 -0.39 -0.01 0.00 -1.51 0.00 0.00 72.50 70.46 2pxy s THR 55 CO 0.11 0.12 -0.22 -1.61 -2.21 0.00 0.00 174.62 170.81 2pxy s GLU 56 N 2.36 2.68 0.38 7.08 0.41 0.13 -5.00 118.70 126.74 2pxy s GLU 56 Ca 0.02 -0.85 -0.26 0.00 -0.41 0.00 0.00 54.97 53.47 2pxy s GLU 56 Cb -0.12 -2.26 -0.09 0.00 -1.78 0.00 0.00 34.13 29.88 2pxy s GLU 56 CO -0.07 0.38 1.19 0.15 -0.49 0.00 0.00 175.26 176.42 2pxy s LYS 57 N -0.14 4.12 0.00 1.61 1.02 -1.26 -1.19 119.74 123.90 2pxy s LYS 57 Ca -0.04 1.91 0.00 0.00 0.02 0.00 0.00 55.97 57.86 2pxy s LYS 57 Cb -0.14 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 2pxy s LYS 57 CO 0.04 -0.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 2pxy n GLY 58 N 0.70 1.54 0.10 -3.33 0.00 0.46 -4.78 105.19 99.87 2pxy n GLY 58 Ca 0.03 -1.61 0.03 0.00 0.00 0.00 0.00 46.02 44.48 2pxy n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pxy h ASP 59 N 0.00 0.00 -2.04 1.61 3.32 -0.85 -3.41 116.42 115.05 2pxy h ASP 59 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2pxy h ASP 59 Cb 0.00 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.15 2pxy h ASP 59 CO 0.00 0.41 -1.06 2.30 -1.72 0.00 0.00 179.24 179.18 2pxy n ILE 60 N -2.86 0.06 0.17 0.35 -5.35 -0.84 -4.94 119.36 105.95 2pxy n ILE 60 Ca -0.06 -4.45 0.04 0.00 -0.27 0.00 0.00 62.75 58.01 2pxy n ILE 60 Cb 0.75 -1.34 0.29 0.00 -1.74 0.00 0.00 39.64 37.61 2pxy n ILE 60 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 2pxy h PRO 61 N 3.59 0.00 -6.19 6.28 0.13 -1.79 -3.43 132.00 130.59 2pxy h PRO 61 Ca 0.10 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.51 2pxy h PRO 61 Cb 0.86 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.04 2pxy h PRO 61 CO 0.54 0.44 0.41 -0.25 -0.23 0.00 0.00 178.00 178.90 2pxy n ASP 62 N -3.62 1.31 0.00 1.44 10.43 -1.26 -0.36 116.55 124.49 2pxy n ASP 62 Ca -0.01 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.48 2pxy n ASP 62 Cb 0.54 -1.11 0.00 0.00 1.84 0.00 0.00 41.12 42.38 2pxy n ASP 62 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pxy n GLY 63 N 2.48 0.96 3.39 0.44 0.00 -1.26 -5.03 105.19 106.18 2pxy n GLY 63 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 2pxy n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pxy s TYR 65 N -3.26 1.82 -0.07 1.61 1.51 0.51 -4.28 117.35 115.19 2pxy s TYR 65 Ca 0.00 -0.74 -0.19 0.00 -1.01 0.00 0.00 57.07 55.12 2pxy s TYR 65 Cb 0.00 -1.03 0.04 0.00 -0.11 0.00 0.00 41.96 40.86 2pxy s TYR 65 CO 0.00 0.20 0.45 0.21 -1.11 0.00 0.00 175.55 175.30 2pxy s LYS 66 N -3.75 0.73 0.11 -0.62 2.20 -0.65 -4.99 119.74 112.76 2pxy s LYS 66 Ca 0.28 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 2pxy s LYS 66 Cb 0.04 0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 36.66 2pxy s LYS 66 CO 0.10 -0.19 -0.01 0.00 -0.36 0.00 0.00 175.35 174.90 2pxy s ALA 67 N -0.84 0.90 -0.06 3.13 0.00 -1.26 0.94 121.76 124.57 2pxy s ALA 67 Ca -0.09 -1.39 -0.04 0.00 0.00 0.00 0.00 51.96 50.43 2pxy s ALA 67 Cb -0.03 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.55 2pxy s ALA 67 CO 0.05 -0.35 0.14 -1.12 0.00 0.00 0.00 175.76 174.48 2pxy s SER 68 N -3.04 -0.14 -0.65 0.00 0.01 -0.87 -4.97 113.70 104.04 2pxy s SER 68 Ca 0.16 0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.76 2pxy s SER 68 Cb 0.07 0.26 0.19 0.00 0.21 0.00 0.00 66.02 66.76 2pxy s SER 68 CO -0.03 -0.07 0.55 -1.14 0.41 0.00 0.00 173.24 172.96 2pxy n ARG 69 N 3.30 1.82 0.08 12.44 3.00 -1.26 -1.41 116.66 134.62 2pxy n ARG 69 Ca -0.16 -4.36 0.09 0.00 -0.00 0.00 0.00 57.85 53.42 2pxy n ARG 69 Cb 0.57 -2.18 0.41 0.00 0.00 0.00 0.00 32.46 31.26 2pxy n ARG 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2pxy n PRO 70 N 1.72 0.11 -3.82 -0.14 -0.04 -1.26 0.05 135.00 131.62 2pxy n PRO 70 Ca 0.24 0.38 -0.05 0.00 -0.04 0.00 0.00 63.50 64.02 2pxy n PRO 70 Cb 0.39 -1.72 -0.00 0.00 -0.04 0.00 0.00 33.50 32.12 2pxy n PRO 70 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2pxy s SER 71 N -3.71 -0.13 0.09 3.54 1.04 -1.26 -4.80 113.70 108.48 2pxy s SER 71 Ca 0.05 -0.66 -0.22 0.00 0.48 0.00 0.00 55.95 55.59 2pxy s SER 71 Cb 0.09 0.64 -0.13 0.00 0.10 0.00 0.00 66.02 66.71 2pxy s SER 71 CO 0.31 -1.21 1.73 1.56 0.98 0.00 0.00 173.24 176.61 2pxy h GLN 72 N 2.00 0.08 -0.21 4.02 1.08 -1.94 -3.23 115.11 116.90 2pxy h GLN 72 Ca -0.25 -0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 56.82 2pxy h GLN 72 Cb 1.24 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.64 2pxy h GLN 72 CO 0.30 0.08 -0.39 0.93 -0.95 0.00 0.00 178.83 178.79 2pxy h GLU 73 N 0.06 0.49 -6.21 1.46 5.08 -1.90 -3.46 114.58 110.10 2pxy h GLU 73 Ca 0.02 -0.24 -0.67 0.00 -1.00 0.00 0.00 59.36 57.48 2pxy h GLU 73 Cb 0.01 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.12 2pxy h GLU 73 CO -0.00 0.80 -0.66 -0.80 -1.00 0.00 0.00 179.01 177.35 2pxy s ASN 74 N -6.85 5.01 -0.23 1.42 0.02 -1.22 -0.99 114.94 112.09 2pxy s ASN 74 Ca -0.07 -0.06 -0.04 0.00 -1.02 0.00 0.00 52.86 51.68 2pxy s ASN 74 Cb 0.13 -1.27 0.13 0.00 0.02 0.00 0.00 41.25 40.26 2pxy s ASN 74 CO 0.81 0.27 0.40 0.12 0.02 0.00 0.00 177.10 178.71 2pxy s PHE 75 N -1.10 -0.85 0.20 2.20 5.36 -0.63 -4.03 117.98 119.13 2pxy s PHE 75 Ca 0.20 1.03 0.06 0.00 -0.96 0.00 0.00 56.93 57.26 2pxy s PHE 75 Cb -0.11 0.11 -0.04 0.00 -0.34 0.00 0.00 43.02 42.64 2pxy s PHE 75 CO 0.11 -0.67 0.17 -1.54 -1.46 0.00 0.00 175.22 171.83 2pxy s SER 76 N 2.57 5.55 -0.08 6.13 1.04 -0.50 -2.36 113.70 126.05 2pxy s SER 76 Ca 0.10 -0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.39 2pxy s SER 76 Cb -0.15 -1.44 0.01 0.00 0.10 0.00 0.00 66.02 64.54 2pxy s SER 76 CO -0.15 0.02 -0.18 -0.22 0.98 0.00 0.00 173.24 173.68 2pxy s LEU 77 N -3.43 1.88 -0.08 2.42 2.96 -0.14 -2.06 118.68 120.23 2pxy s LEU 77 Ca 0.32 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 2pxy s LEU 77 Cb -0.09 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.47 2pxy s LEU 77 CO 0.24 0.10 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.28 2pxy s THR 78 N 0.48 1.73 -0.47 3.68 2.01 0.27 -0.06 115.64 123.27 2pxy s THR 78 Ca -0.17 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 60.89 2pxy s THR 78 Cb -0.17 -1.51 0.11 0.00 0.01 0.00 0.00 72.50 70.95 2pxy s THR 78 CO 0.06 0.49 0.35 -0.76 -0.69 0.00 0.00 174.62 174.08 2pxy s LEU 79 N 0.33 5.69 0.12 4.42 1.02 0.32 -1.64 118.68 128.94 2pxy s LEU 79 Ca -0.14 -1.84 -0.20 0.00 0.02 0.00 0.00 54.13 51.97 2pxy s LEU 79 Cb -0.16 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 43.97 2pxy s LEU 79 CO 0.06 -0.69 1.72 -0.08 0.02 0.00 0.00 176.35 177.38 2pxy h GLU 80 N 8.50 0.06 -2.80 1.70 4.57 -1.80 0.21 114.58 125.02 2pxy h GLU 80 Ca -0.23 -0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.35 2pxy h GLU 80 Cb 1.08 -0.01 -0.40 0.00 -0.16 0.00 0.00 28.75 29.26 2pxy h GLU 80 CO 0.87 0.04 -0.79 0.45 -1.18 0.00 0.00 179.01 178.41 2pxy s SER 81 N -5.24 3.21 0.15 1.04 0.15 -1.26 -3.50 113.70 108.26 2pxy s SER 81 Ca -0.13 -2.82 -0.34 0.00 0.70 0.00 0.00 55.95 53.36 2pxy s SER 81 Cb 0.09 -0.88 -0.16 0.00 -1.71 0.00 0.00 66.02 63.36 2pxy s SER 81 CO 0.68 -0.23 1.26 0.00 1.20 0.00 0.00 173.24 176.15 2pxy n ALA 82 N 3.25 -0.58 -2.49 5.45 0.00 -0.30 -4.47 120.51 121.37 2pxy n ALA 82 Ca 0.15 0.47 -0.21 0.00 0.00 0.00 0.00 53.44 53.86 2pxy n ALA 82 Cb 0.38 -2.08 -0.11 0.00 0.00 0.00 0.00 19.45 17.64 2pxy n ALA 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2pxy s THR 83 N 0.07 1.62 0.42 0.00 -4.23 -1.26 0.62 115.64 112.89 2pxy s THR 83 Ca 0.76 -1.76 0.19 0.00 -1.18 0.00 0.00 61.69 59.70 2pxy s THR 83 Cb -0.86 -1.66 0.39 0.00 1.34 0.00 0.00 72.50 71.71 2pxy s THR 83 CO 0.50 -0.29 1.85 -0.65 -0.54 0.00 0.00 174.62 175.49 2pxy h PRO 84 N 3.54 0.37 0.00 3.99 0.11 -1.96 0.77 132.00 138.82 2pxy h PRO 84 Ca -0.42 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 2pxy h PRO 84 Cb 1.20 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2pxy h PRO 84 CO 0.48 0.24 -0.00 0.66 -0.21 0.00 0.00 178.00 179.17 2pxy h SER 85 N 0.38 0.00 -0.07 -2.05 4.64 -1.96 -0.31 113.55 114.18 2pxy h SER 85 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2pxy h SER 85 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2pxy h SER 85 CO -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.78 2pxy n GLN 86 N -3.11 1.38 -2.07 4.77 6.02 0.26 -4.82 117.38 119.81 2pxy n GLN 86 Ca -0.03 -0.57 -0.42 0.00 -0.01 0.00 0.00 57.00 55.97 2pxy n GLN 86 Cb 0.07 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 29.92 2pxy n GLN 86 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2pxy s THR 87 N -1.92 3.25 -0.01 5.09 2.01 -0.13 -4.87 115.64 119.07 2pxy s THR 87 Ca 0.33 0.77 0.00 0.00 0.31 0.00 0.00 61.69 63.10 2pxy s THR 87 Cb 0.17 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 69.18 2pxy s THR 87 CO 0.27 0.02 0.00 -0.24 -0.69 0.00 0.00 174.62 173.98 2pxy n SER 88 N 4.94 0.00 -4.16 3.53 2.88 0.06 -4.99 113.62 115.88 2pxy n SER 88 Ca 0.14 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.34 2pxy n SER 88 Cb 0.42 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.72 2pxy n SER 88 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2pxy s VAL 89 N -3.00 2.47 -0.11 2.46 1.01 -1.20 -0.65 120.40 121.38 2pxy s VAL 89 Ca 0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 2pxy s VAL 89 Cb 0.00 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 2pxy s VAL 89 CO 0.00 0.36 0.29 -0.31 0.00 0.00 0.00 175.10 175.44 2pxy s TYR 90 N 1.30 3.55 -0.05 5.22 1.51 0.52 -0.48 117.35 128.93 2pxy s TYR 90 Ca 0.02 0.68 0.06 0.00 -1.01 0.00 0.00 57.07 56.82 2pxy s TYR 90 Cb -0.15 -2.24 -0.01 0.00 -0.11 0.00 0.00 41.96 39.44 2pxy s TYR 90 CO -0.08 0.44 -0.24 -0.06 -1.11 0.00 0.00 175.55 174.50 2pxy s PHE 91 N -0.22 2.28 -0.02 2.71 0.08 0.74 -0.25 117.98 123.30 2pxy s PHE 91 Ca 0.18 -0.62 0.01 0.00 0.12 0.00 0.00 56.93 56.62 2pxy s PHE 91 Cb -0.14 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 2pxy s PHE 91 CO 0.06 -0.17 0.01 0.00 -0.10 0.00 0.00 175.22 175.02 2pxy s ALA 93 N -1.06 0.05 0.19 0.00 0.00 -0.68 -0.16 121.76 120.09 2pxy s ALA 93 Ca 0.19 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.69 2pxy s ALA 93 Cb -0.12 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2pxy s ALA 93 CO 0.09 -0.20 -0.18 -1.54 0.00 0.00 0.00 175.76 173.93 2pxy s SER 94 N -1.62 2.87 0.12 0.00 1.04 -0.62 -0.47 113.70 115.02 2pxy s SER 94 Ca -0.13 -0.91 -0.19 0.00 0.48 0.00 0.00 55.95 55.20 2pxy s SER 94 Cb -0.07 -0.18 0.05 0.00 0.10 0.00 0.00 66.02 65.91 2pxy s SER 94 CO -0.02 -0.03 0.47 -0.83 0.98 0.00 0.00 173.24 173.81 2pxy s GLY 95 N -2.88 -0.38 -0.06 7.32 0.00 -0.46 -1.20 107.32 109.66 2pxy s GLY 95 Ca 0.19 0.19 0.05 0.00 0.00 0.00 0.00 44.72 45.15 2pxy s GLY 95 CO 0.08 -0.09 0.95 2.09 0.00 0.00 0.00 173.10 176.13 2pxy n ASP 96 N -0.14 2.20 -2.79 1.64 3.85 -1.26 -1.89 116.55 118.17 2pxy n ASP 96 Ca -0.17 -2.23 -0.16 0.00 -0.71 0.00 0.00 54.79 51.52 2pxy n ASP 96 Cb 0.63 -0.47 -0.00 0.00 -1.35 0.00 0.00 41.12 39.93 2pxy n ASP 96 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2pxy n ALA 97 N 0.19 -0.89 -2.91 2.12 0.00 -1.26 -4.76 120.51 113.00 2pxy n ALA 97 Ca 0.08 0.11 -0.37 0.00 0.00 0.00 0.00 53.44 53.26 2pxy n ALA 97 Cb 0.47 -2.08 -0.12 0.00 0.00 0.00 0.00 19.45 17.71 2pxy n ALA 97 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2pxy s SER 98 N -2.31 5.43 0.05 0.00 1.04 -1.26 -5.02 113.70 111.63 2pxy s SER 98 Ca 0.15 -0.18 -0.11 0.00 0.48 0.00 0.00 55.95 56.29 2pxy s SER 98 Cb -0.08 -1.99 -0.06 0.00 0.10 0.00 0.00 66.02 63.99 2pxy s SER 98 CO 0.19 -0.05 0.24 0.61 0.98 0.00 0.00 173.24 175.21 2pxy n GLY 99 N 4.97 -0.48 3.45 7.32 0.00 -1.26 -0.39 105.19 118.80 2pxy n GLY 99 Ca -0.15 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2pxy n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pxy n ALA 100 N 0.15 -1.14 -1.41 4.61 0.00 -1.26 -4.93 120.51 116.54 2pxy n ALA 100 Ca 0.07 0.23 -0.33 0.00 0.00 0.00 0.00 53.44 53.41 2pxy n ALA 100 Cb 0.07 -4.07 0.07 0.00 0.00 0.00 0.00 19.45 15.52 2pxy n ALA 100 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2pxy s GLU 104 N -6.14 2.48 0.20 0.00 -1.05 0.47 -5.03 118.70 109.63 2pxy s GLU 104 Ca 0.48 1.49 -0.11 0.00 -0.15 0.00 0.00 54.97 56.68 2pxy s GLU 104 Cb -0.23 -1.90 -0.07 0.00 -0.44 0.00 0.00 34.13 31.49 2pxy s GLU 104 CO 0.59 -1.52 0.53 0.95 0.95 0.00 0.00 175.26 176.77 2pxy s THR 105 N -2.30 4.93 -0.10 1.83 -4.23 -1.26 -5.04 115.64 109.48 2pxy s THR 105 Ca 0.69 0.54 -0.05 0.00 -1.18 0.00 0.00 61.69 61.69 2pxy s THR 105 Cb -0.23 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 2pxy s THR 105 CO 0.44 0.03 0.09 -0.76 -0.54 0.00 0.00 174.62 173.88 2pxy s LEU 106 N -2.54 4.06 -0.33 4.79 1.43 -1.26 -4.51 118.68 120.32 2pxy s LEU 106 Ca 0.44 0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 53.83 2pxy s LEU 106 Cb -0.12 -2.01 0.05 0.00 0.03 0.00 0.00 46.19 44.14 2pxy s LEU 106 CO 0.21 0.39 0.06 -0.31 0.23 0.00 0.00 176.35 176.92 2pxy s TYR 107 N -1.00 3.29 0.37 0.29 1.51 -0.34 -4.93 117.35 116.55 2pxy s TYR 107 Ca 0.15 -1.76 -0.10 0.00 -1.01 0.00 0.00 57.07 54.35 2pxy s TYR 107 Cb -0.12 -2.29 -0.06 0.00 -0.11 0.00 0.00 41.96 39.37 2pxy s TYR 107 CO 0.04 -0.80 0.72 -0.06 -1.11 0.00 0.00 175.55 174.35 2pxy s PHE 108 N 1.30 3.46 0.67 2.71 0.08 -1.26 -1.59 117.98 123.35 2pxy s PHE 108 Ca -0.03 0.98 -0.03 0.00 0.12 0.00 0.00 56.93 57.97 2pxy s PHE 108 Cb -0.20 -2.38 0.07 0.00 -0.57 0.00 0.00 43.02 39.94 2pxy s PHE 108 CO 0.00 -0.03 0.95 0.20 -0.10 0.00 0.00 175.22 176.24 2pxy s GLY 109 N -3.06 1.75 0.00 4.36 0.00 0.77 -4.68 107.32 106.46 2pxy s GLY 109 Ca 0.50 -1.22 0.22 0.00 0.00 0.00 0.00 44.72 44.22 2pxy s GLY 109 CO 0.30 -0.81 1.72 -1.55 0.00 0.00 0.00 173.10 172.76 2pxy n PRO 110 N -2.77 0.59 0.00 2.90 -0.04 -1.26 -4.70 135.00 129.72 2pxy n PRO 110 Ca 0.10 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2pxy n PRO 110 Cb 0.60 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2pxy n PRO 110 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pxy n GLY 111 N 0.45 0.43 2.84 0.55 0.00 -1.26 -5.00 105.19 103.21 2pxy n GLY 111 Ca 0.15 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.15 2pxy n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pxy s THR 112 N -2.85 0.87 -0.38 2.61 2.01 0.66 -4.72 115.64 113.84 2pxy s THR 112 Ca 0.00 -0.47 -0.25 0.00 0.31 0.00 0.00 61.69 61.28 2pxy s THR 112 Cb 0.00 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.43 2pxy s THR 112 CO 0.00 0.10 0.91 -0.60 -0.69 0.00 0.00 174.62 174.34 2pxy s ARG 113 N 1.74 3.79 -0.16 4.92 3.52 0.43 -0.35 118.95 132.84 2pxy s ARG 113 Ca 0.01 0.49 -0.00 0.00 -0.13 0.00 0.00 55.73 56.10 2pxy s ARG 113 Cb -0.15 -3.82 -0.00 0.00 -1.56 0.00 0.00 34.95 29.42 2pxy s ARG 113 CO -0.07 -0.98 -0.13 -1.17 -0.81 0.00 0.00 175.30 172.14 2pxy s LEU 114 N 3.47 2.57 -0.14 -0.88 2.96 0.17 -1.79 118.68 125.04 2pxy s LEU 114 Ca 0.37 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 2pxy s LEU 114 Cb -0.12 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.00 2pxy s LEU 114 CO 0.20 0.08 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.27 2pxy s THR 115 N 0.85 1.58 -0.43 3.68 2.01 -0.77 -0.76 115.64 121.80 2pxy s THR 115 Ca -0.04 -0.65 -0.15 0.00 0.31 0.00 0.00 61.69 61.16 2pxy s THR 115 Cb -0.15 -1.47 0.04 0.00 0.01 0.00 0.00 72.50 70.93 2pxy s THR 115 CO -0.00 0.46 0.33 -0.69 -0.69 0.00 0.00 174.62 174.02 2pxy s VAL 116 N 1.36 5.22 -2.25 3.82 1.01 -1.26 -1.58 120.40 126.72 2pxy s VAL 116 Ca 0.02 -0.80 0.18 0.00 0.00 0.00 0.00 61.98 61.38 2pxy s VAL 116 Cb -0.13 -3.98 0.14 0.00 0.00 0.00 0.00 36.38 32.41 2pxy s VAL 116 CO -0.09 -0.39 1.07 0.18 0.00 0.00 0.00 175.10 175.87