#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdi h SER 2 N 0.00 0.00 -4.30 0.00 4.64 -2.02 -3.47 113.55 108.40 2pdi h SER 2 Ca 0.00 -0.11 -0.33 0.00 -0.47 0.00 0.00 61.79 60.88 2pdi h SER 2 Cb 0.00 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 61.91 2pdi h SER 2 CO 0.00 0.05 -0.73 -0.13 -0.87 0.00 0.00 176.83 175.15 2pdi s ARG 3 N -3.23 0.89 -0.03 4.77 0.52 -1.26 -0.96 118.95 119.65 2pdi s ARG 3 Ca 0.05 -1.19 0.06 0.00 -0.52 0.00 0.00 55.73 54.13 2pdi s ARG 3 Cb 0.11 -0.60 -0.02 0.00 0.52 0.00 0.00 34.95 34.96 2pdi s ARG 3 CO 0.73 0.10 -0.22 -1.50 0.02 0.00 0.00 175.30 174.43 2pdi s ILE 4 N -2.46 2.42 -0.02 1.52 2.07 -0.33 -4.87 121.20 119.53 2pdi s ILE 4 Ca 0.07 -0.98 -0.29 0.00 -1.41 0.00 0.00 60.65 58.04 2pdi s ILE 4 Cb -0.03 -1.89 -0.03 0.00 0.13 0.00 0.00 42.46 40.65 2pdi s ILE 4 CO 0.01 0.57 0.93 -0.22 -1.91 0.00 0.00 174.94 174.32 2pdi s LEU 5 N -0.68 4.36 0.45 8.50 0.20 -1.26 -0.64 118.68 129.60 2pdi s LEU 5 Ca 0.11 1.56 -0.01 0.00 0.69 0.00 0.00 54.13 56.48 2pdi s LEU 5 Cb -0.10 -3.47 -0.01 0.00 -0.43 0.00 0.00 46.19 42.17 2pdi s LEU 5 CO -0.00 -0.24 0.69 -0.76 -0.29 0.00 0.00 176.35 175.75 2pdi s LEU 6 N 0.99 3.68 0.00 -0.68 1.02 -0.00 -4.96 118.68 118.72 2pdi s LEU 6 Ca 0.49 0.48 0.02 0.00 0.02 0.00 0.00 54.13 55.14 2pdi s LEU 6 Cb -0.20 -3.36 0.11 0.00 0.02 0.00 0.00 46.19 42.75 2pdi s LEU 6 CO 0.26 -0.63 0.89 -0.46 0.02 0.00 0.00 176.35 176.42 2pdi n ASN 7 N -2.10 0.00 -0.80 2.29 2.04 -1.26 -1.42 115.26 114.00 2pdi n ASN 7 Ca 0.00 -1.57 0.09 0.00 -0.44 0.00 0.00 54.58 52.66 2pdi n ASN 7 Cb 0.57 0.00 0.10 0.00 -2.53 0.00 0.00 39.78 37.92 2pdi n ASN 7 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 2pdi n ASN 8 N -0.53 2.71 0.00 0.53 6.94 -1.26 -4.98 115.26 118.66 2pdi n ASN 8 Ca 0.01 -1.82 0.00 0.00 -0.02 0.00 0.00 54.58 52.76 2pdi n ASN 8 Cb 0.01 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 2pdi n ASN 8 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2pdi n GLY 9 N 1.09 1.10 3.95 4.83 0.00 -0.51 -5.06 105.19 110.58 2pdi n GLY 9 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2pdi n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pdi s ALA 10 N -2.93 3.74 -0.13 4.61 0.00 -1.26 -4.87 121.76 120.93 2pdi s ALA 10 Ca 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 50.93 2pdi s ALA 10 Cb 0.00 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 2pdi s ALA 10 CO 0.00 -0.10 0.09 0.15 0.00 0.00 0.00 175.76 175.90 2pdi s LYS 11 N -4.36 3.46 -0.12 0.00 1.02 -1.26 -0.82 119.74 117.66 2pdi s LYS 11 Ca 0.42 -0.23 0.03 0.00 0.02 0.00 0.00 55.97 56.20 2pdi s LYS 11 Cb -0.10 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 2pdi s LYS 11 CO 0.36 0.65 -0.21 1.41 -0.92 0.00 0.00 175.35 176.64 2pdi s MET 12 N -0.69 3.09 0.19 1.68 -2.45 0.19 -4.91 119.30 116.40 2pdi s MET 12 Ca 0.12 -0.84 -0.32 0.00 -1.25 0.00 0.00 55.69 53.41 2pdi s MET 12 Cb -0.12 -2.41 -0.11 0.00 1.25 0.00 0.00 34.83 33.44 2pdi s MET 12 CO 0.03 0.10 1.71 -2.14 1.05 0.00 0.00 175.02 175.76 2pdi s PRO 13 N 0.55 4.14 0.22 4.11 0.02 -1.26 -1.19 135.00 141.59 2pdi s PRO 13 Ca -0.13 2.56 0.24 0.00 0.02 0.00 0.00 61.00 63.69 2pdi s PRO 13 Cb -0.17 -3.15 0.92 0.00 0.02 0.00 0.00 34.50 32.12 2pdi s PRO 13 CO 0.04 -0.74 1.72 0.44 -0.33 0.00 0.00 177.00 178.14 2pdi n ILE 14 N 4.08 0.75 -4.75 2.83 -5.35 -0.13 -4.52 119.36 112.26 2pdi n ILE 14 Ca 0.16 0.08 -0.33 0.00 -0.27 0.00 0.00 62.75 62.39 2pdi n ILE 14 Cb 0.36 -0.97 -0.15 0.00 -1.74 0.00 0.00 39.64 37.14 2pdi n ILE 14 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2pdi s LEU 15 N -4.36 2.47 0.21 7.28 2.96 -1.26 -0.51 118.68 125.47 2pdi s LEU 15 Ca 0.06 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.57 2pdi s LEU 15 Cb 0.10 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.20 2pdi s LEU 15 CO 0.45 0.13 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.75 2pdi s GLY 16 N 0.57 1.46 -0.24 7.98 0.00 -0.38 -4.23 107.32 112.48 2pdi s GLY 16 Ca -0.10 -1.71 -0.20 0.00 0.00 0.00 0.00 44.72 42.71 2pdi s GLY 16 CO 0.04 -1.65 0.63 -2.27 0.00 0.00 0.00 173.10 169.84 2pdi s LEU 17 N -3.28 4.09 0.45 0.66 2.96 -0.31 -3.27 118.68 119.98 2pdi s LEU 17 Ca 0.26 0.74 -0.22 0.00 -0.22 0.00 0.00 54.13 54.70 2pdi s LEU 17 Cb 0.05 -2.86 -0.09 0.00 0.50 0.00 0.00 46.19 43.79 2pdi s LEU 17 CO 0.07 -0.34 1.03 -0.83 -1.32 0.00 0.00 176.35 174.96 2pdi s GLY 18 N 1.39 2.58 0.00 7.98 0.00 -0.43 -1.12 107.32 117.72 2pdi s GLY 18 Ca 0.27 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.61 2pdi s GLY 18 CO 0.09 0.98 0.37 -1.30 0.00 0.00 0.00 173.10 173.23 2pdi n THR 19 N -0.62 0.11 -2.11 0.90 -2.24 -1.18 -4.11 114.28 105.03 2pdi n THR 19 Ca 0.08 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 2pdi n THR 19 Cb 0.52 1.32 -0.03 0.00 -2.10 0.00 0.00 70.33 70.04 2pdi n THR 19 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2pdi s TRP 20 N -0.11 2.64 0.00 4.78 -0.00 -1.26 -2.20 118.94 122.80 2pdi s TRP 20 Ca 0.00 0.61 0.00 0.00 -0.00 0.00 0.00 56.10 56.71 2pdi s TRP 20 Cb 0.00 -3.78 0.00 0.00 -0.00 0.00 0.00 33.47 29.69 2pdi s TRP 20 CO 0.00 -3.00 0.00 1.63 -0.00 0.00 0.00 176.95 175.58 2pdi n LYS 21 N 5.61 0.00 -2.19 5.86 5.02 -1.26 -5.01 118.16 126.19 2pdi n LYS 21 Ca 0.14 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.01 2pdi n LYS 21 Cb 0.43 -2.29 -0.02 0.00 -0.02 0.00 0.00 35.03 33.12 2pdi n LYS 21 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2pdi s SER 22 N -2.82 6.49 0.39 4.39 0.01 -0.93 -4.94 113.70 116.29 2pdi s SER 22 Ca 0.00 1.58 -0.27 0.00 1.31 0.00 0.00 55.95 58.57 2pdi s SER 22 Cb 0.00 -2.53 -0.11 0.00 0.21 0.00 0.00 66.02 63.59 2pdi s SER 22 CO 0.00 -1.17 1.41 -2.65 0.41 0.00 0.00 173.24 171.24 2pdi n PRO 23 N 7.49 2.40 0.10 12.44 -0.02 -1.26 -4.71 135.00 151.44 2pdi n PRO 23 Ca 0.18 0.84 0.09 0.00 -2.02 0.00 0.00 63.50 62.59 2pdi n PRO 23 Cb 0.45 -2.55 0.57 0.00 -0.02 0.00 0.00 33.50 31.95 2pdi n PRO 23 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2pdi h PRO 24 N 2.65 0.21 0.00 0.52 0.13 -1.92 -0.36 132.00 133.24 2pdi h PRO 24 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2pdi h PRO 24 Cb 1.26 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2pdi h PRO 24 CO 0.63 0.14 0.00 0.41 -0.23 0.00 0.00 178.00 178.95 2pdi n GLY 25 N -1.53 -0.91 0.00 1.56 0.00 -1.26 -3.74 105.19 99.30 2pdi n GLY 25 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2pdi n GLY 25 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pdi n GLN 26 N -1.06 0.95 0.19 1.61 6.02 -0.26 -4.80 117.38 120.03 2pdi n GLN 26 Ca 0.19 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.25 2pdi n GLN 26 Cb 0.12 -0.92 0.25 0.00 1.02 0.00 0.00 30.24 30.71 2pdi n GLN 26 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 2pdi h VAL 27 N 0.00 0.63 -0.06 5.09 3.04 -1.34 -1.88 116.25 121.73 2pdi h VAL 27 Ca 0.00 -1.55 -0.00 0.00 -1.01 0.00 0.00 66.70 64.13 2pdi h VAL 27 Cb 0.01 2.05 -0.00 0.00 -2.01 0.00 0.00 31.29 31.34 2pdi h VAL 27 CO 0.00 0.31 0.02 0.74 -1.01 0.00 0.00 177.57 177.64 2pdi h THR 28 N 0.00 1.14 -0.31 3.17 2.02 -1.77 -0.85 112.91 116.31 2pdi h THR 28 Ca -0.00 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 66.69 2pdi h THR 28 Cb 1.03 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 2pdi h THR 28 CO 0.04 0.11 -0.16 -0.08 0.37 0.00 0.00 175.52 175.81 2pdi h GLU 29 N -0.06 0.54 -0.53 6.66 4.57 -1.86 -1.38 114.58 122.53 2pdi h GLU 29 Ca 0.02 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2pdi h GLU 29 Cb 0.16 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 2pdi h GLU 29 CO -0.00 0.68 0.32 0.00 -1.18 0.00 0.00 179.01 178.83 2pdi h ALA 30 N 1.34 0.67 -0.15 2.92 0.00 -0.99 -0.53 119.26 122.52 2pdi h ALA 30 Ca 0.08 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 2pdi h ALA 30 Cb 0.56 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2pdi h ALA 30 CO 0.04 0.16 -0.57 0.28 0.00 0.00 0.00 179.25 179.15 2pdi h VAL 31 N 0.71 1.34 -0.27 0.00 2.07 -0.89 -0.73 116.25 118.47 2pdi h VAL 31 Ca 0.19 -1.85 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 2pdi h VAL 31 Cb -0.01 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2pdi h VAL 31 CO -0.04 0.57 0.11 0.11 0.02 0.00 0.00 177.57 178.34 2pdi h LYS 32 N 0.35 0.40 -0.87 1.57 1.57 -0.84 -1.35 116.57 117.39 2pdi h LYS 32 Ca 0.00 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2pdi h LYS 32 Cb 1.10 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.31 2pdi h LYS 32 CO 0.10 0.43 0.43 0.28 -0.57 0.00 0.00 179.45 180.13 2pdi h VAL 33 N 0.28 1.26 -0.17 0.50 2.07 -1.00 -1.75 116.25 117.45 2pdi h VAL 33 Ca 0.09 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 2pdi h VAL 33 Cb 0.18 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2pdi h VAL 33 CO -0.01 0.31 0.08 0.00 0.02 0.00 0.00 177.57 177.98 2pdi h ALA 34 N 1.24 0.21 -0.78 1.67 0.00 -0.89 -1.18 119.26 119.53 2pdi h ALA 34 Ca 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2pdi h ALA 34 Cb 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2pdi h ALA 34 CO -0.04 -0.24 0.33 0.82 0.00 0.00 0.00 179.25 180.12 2pdi h ILE 35 N 0.15 1.25 -0.65 0.00 2.04 -1.16 -0.14 117.51 119.01 2pdi h ILE 35 Ca 0.06 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.17 2pdi h ILE 35 Cb 0.10 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 2pdi h ILE 35 CO -0.01 0.32 0.43 0.44 0.00 0.00 0.00 178.15 179.33 2pdi h ASP 36 N 1.13 0.65 -0.47 1.72 3.32 -0.87 -2.63 116.42 119.26 2pdi h ASP 36 Ca 0.26 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2pdi h ASP 36 Cb 0.19 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2pdi h ASP 36 CO -0.02 0.44 0.00 1.33 -1.72 0.00 0.00 179.24 179.27 2pdi n VAL 37 N -4.46 0.63 0.00 -1.35 0.24 -0.48 -4.94 118.33 107.96 2pdi n VAL 37 Ca 0.08 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 2pdi n VAL 37 Cb 0.15 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 2pdi n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pdi n GLY 38 N 1.52 1.22 3.77 7.63 0.00 -0.76 -5.05 105.19 113.52 2pdi n GLY 38 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2pdi n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pdi s TYR 39 N -1.08 2.83 0.00 1.61 1.51 -0.14 -4.88 117.35 117.20 2pdi s TYR 39 Ca 0.00 1.22 0.00 0.00 -1.01 0.00 0.00 57.07 57.28 2pdi s TYR 39 Cb 0.00 -3.87 0.00 0.00 -0.11 0.00 0.00 41.96 37.98 2pdi s TYR 39 CO 0.00 -2.55 0.62 0.54 -1.11 0.00 0.00 175.55 173.05 2pdi n ARG 40 N 0.91 0.94 -4.39 -0.62 5.12 -1.26 -4.18 116.66 113.18 2pdi n ARG 40 Ca 0.02 -0.82 -0.24 0.00 -1.93 0.00 0.00 57.85 54.88 2pdi n ARG 40 Cb 0.40 -0.81 -0.17 0.00 -1.16 0.00 0.00 32.46 30.73 2pdi n ARG 40 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2pdi s HIS 41 N -0.39 1.26 -0.09 -1.55 2.46 -1.26 0.21 115.29 115.93 2pdi s HIS 41 Ca 0.00 -0.46 0.04 0.00 0.47 0.00 0.00 55.06 55.10 2pdi s HIS 41 Cb 0.00 -0.97 0.00 0.00 -0.13 0.00 0.00 32.58 31.48 2pdi s HIS 41 CO 0.00 -0.28 -0.22 0.42 -2.47 0.00 0.00 174.74 172.19 2pdi s ILE 42 N 0.86 1.86 -0.27 0.89 -1.09 -1.00 -1.16 121.20 121.29 2pdi s ILE 42 Ca -0.11 -0.91 -0.11 0.00 -2.23 0.00 0.00 60.65 57.29 2pdi s ILE 42 Cb -0.15 -1.61 -0.05 0.00 -1.58 0.00 0.00 42.46 39.07 2pdi s ILE 42 CO 0.01 0.52 0.19 -0.62 -1.23 0.00 0.00 174.94 173.81 2pdi s ASP 43 N 0.33 6.05 0.39 3.58 2.15 -0.28 -1.82 116.67 127.08 2pdi s ASP 43 Ca -0.16 0.03 0.04 0.00 0.43 0.00 0.00 52.55 52.89 2pdi s ASP 43 Cb -0.17 -2.12 -0.05 0.00 -0.30 0.00 0.00 42.92 40.28 2pdi s ASP 43 CO 0.07 -0.03 0.05 0.00 -0.17 0.00 0.00 175.17 175.10 2pdi s ALA 45 N -3.08 -1.95 0.35 0.00 0.00 -1.26 -3.79 121.76 112.03 2pdi s ALA 45 Ca 0.28 1.73 0.02 0.00 0.00 0.00 0.00 51.96 53.99 2pdi s ALA 45 Cb 0.06 -1.06 0.64 0.00 0.00 0.00 0.00 23.12 22.76 2pdi s ALA 45 CO 0.14 -0.27 2.00 1.25 0.00 0.00 0.00 175.76 178.87 2pdi h HIS 46 N 3.42 0.82 0.00 0.00 -0.00 -1.99 -0.95 115.15 116.45 2pdi h HIS 46 Ca -0.24 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.15 2pdi h HIS 46 Cb 1.17 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 28.30 2pdi h HIS 46 CO 0.31 0.50 0.00 1.55 -0.00 0.00 0.00 177.93 180.29 2pdi n VAL 47 N -4.45 0.67 0.45 5.26 3.14 -1.26 -1.91 118.33 120.24 2pdi n VAL 47 Ca 0.08 0.17 0.13 0.00 -2.96 0.00 0.00 64.34 61.75 2pdi n VAL 47 Cb 0.08 -0.87 0.29 0.00 -1.06 0.00 0.00 33.84 32.28 2pdi n VAL 47 CO 0.00 0.00 0.00 1.88 -6.46 0.00 0.00 176.83 172.25 2pdi h TYR 48 N 0.00 0.00 -1.72 1.45 0.05 -1.56 -3.47 116.97 111.71 2pdi h TYR 48 Ca 0.00 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.48 2pdi h TYR 48 Cb 0.24 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.94 2pdi h TYR 48 CO 0.00 0.00 -0.35 1.04 -1.05 0.00 0.00 178.16 177.80 2pdi n GLN 49 N -2.60 -1.15 -0.17 4.88 6.02 -0.80 -4.79 117.38 118.76 2pdi n GLN 49 Ca 0.05 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 2pdi n GLN 49 Cb 0.47 -5.09 0.01 0.00 1.02 0.00 0.00 30.24 26.65 2pdi n GLN 49 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2pdi n ASN 50 N -0.73 0.26 0.07 1.08 2.04 -1.26 -4.85 115.26 111.87 2pdi n ASN 50 Ca -0.17 -1.50 0.01 0.00 -0.44 0.00 0.00 54.58 52.48 2pdi n ASN 50 Cb 0.59 -0.09 0.35 0.00 -2.53 0.00 0.00 39.78 38.11 2pdi n ASN 50 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 2pdi h GLU 51 N 0.00 0.35 -0.44 -3.83 5.08 -1.89 -1.08 114.58 112.78 2pdi h GLU 51 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2pdi h GLU 51 Cb 1.10 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2pdi h GLU 51 CO 0.00 0.45 0.28 -0.97 -1.00 0.00 0.00 179.01 177.77 2pdi h ASN 52 N 0.34 0.52 -0.24 1.42 -1.24 -1.89 -0.32 115.58 114.16 2pdi h ASN 52 Ca 0.07 -0.03 -0.11 0.00 0.71 0.00 0.00 56.30 56.94 2pdi h ASN 52 Cb 0.36 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 2pdi h ASN 52 CO 0.02 0.40 -0.22 -0.33 -1.29 0.00 0.00 177.43 176.00 2pdi h GLU 53 N 0.59 0.71 -0.67 6.67 3.07 -1.74 -1.50 114.58 121.71 2pdi h GLU 53 Ca 0.16 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 2pdi h GLU 53 Cb -0.04 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.80 2pdi h GLU 53 CO -0.03 0.87 0.43 0.28 -1.40 0.00 0.00 179.01 179.16 2pdi h VAL 54 N 0.62 1.18 -0.56 3.13 2.07 -1.00 -2.88 116.25 118.81 2pdi h VAL 54 Ca 0.09 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 2pdi h VAL 54 Cb 0.71 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2pdi h VAL 54 CO 0.05 0.18 0.20 1.23 0.02 0.00 0.00 177.57 179.25 2pdi h GLY 55 N 0.91 0.88 0.74 2.17 0.00 -0.62 -1.99 103.07 105.16 2pdi h GLY 55 Ca 0.24 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.17 2pdi h GLY 55 CO -0.05 0.43 0.45 -2.08 0.00 0.00 0.00 176.54 175.29 2pdi h VAL 56 N 0.81 1.03 -0.16 4.60 2.07 -1.07 0.01 116.25 123.53 2pdi h VAL 56 Ca 0.19 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 2pdi h VAL 56 Cb 0.19 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2pdi h VAL 56 CO -0.01 0.15 -0.08 0.00 0.02 0.00 0.00 177.57 177.65 2pdi h ALA 57 N 1.36 0.22 -0.30 1.67 0.00 -1.31 -1.45 119.26 119.46 2pdi h ALA 57 Ca 0.32 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2pdi h ALA 57 Cb 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2pdi h ALA 57 CO -0.16 0.03 0.09 0.82 0.00 0.00 0.00 179.25 180.03 2pdi h ILE 58 N 0.01 0.89 -0.74 0.00 2.04 -1.07 -1.46 117.51 117.17 2pdi h ILE 58 Ca 0.04 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 2pdi h ILE 58 Cb 0.55 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2pdi h ILE 58 CO 0.02 0.04 0.32 -0.61 0.00 0.00 0.00 178.15 177.92 2pdi h GLN 59 N 0.21 1.10 -0.54 2.37 5.75 -0.98 -0.77 115.11 122.25 2pdi h GLN 59 Ca 0.14 -0.19 -0.10 0.00 -0.15 0.00 0.00 58.65 58.35 2pdi h GLN 59 Cb 0.12 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 2pdi h GLN 59 CO -0.16 0.88 -0.05 1.49 -2.65 0.00 0.00 178.83 178.34 2pdi h GLU 60 N 1.06 0.99 0.00 1.69 4.57 -0.96 0.80 114.58 122.73 2pdi h GLU 60 Ca 0.25 -0.34 -0.16 0.00 -1.18 0.00 0.00 59.36 57.93 2pdi h GLU 60 Cb 0.18 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 2pdi h GLU 60 CO -0.02 1.02 -0.76 0.87 -1.18 0.00 0.00 179.01 178.94 2pdi h LYS 61 N 0.87 0.00 -0.07 1.92 1.79 -0.81 -0.01 116.57 120.26 2pdi h LYS 61 Ca 0.15 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 2pdi h LYS 61 Cb 0.61 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2pdi h LYS 61 CO 0.04 0.76 0.02 -0.07 -1.08 0.00 0.00 179.45 179.12 2pdi h LEU 62 N 0.00 0.10 -0.82 2.94 3.38 -1.03 -1.45 115.31 118.44 2pdi h LEU 62 Ca -0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2pdi h LEU 62 Cb 1.39 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 2pdi h LEU 62 CO 0.10 0.26 0.43 -0.09 0.09 0.00 0.00 178.44 179.23 2pdi h ARG 63 N -0.08 1.15 0.00 1.13 2.43 -0.47 -0.26 114.38 118.28 2pdi h ARG 63 Ca 0.02 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2pdi h ARG 63 Cb 0.20 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2pdi h ARG 63 CO -0.00 0.86 0.00 0.39 -1.51 0.00 0.00 179.97 179.71 2pdi n GLU 64 N -4.38 0.16 -3.13 0.20 1.02 -0.05 -4.88 120.64 109.59 2pdi n GLU 64 Ca 0.08 0.46 -0.21 0.00 -0.02 0.00 0.00 57.16 57.47 2pdi n GLU 64 Cb 0.11 -1.85 0.05 0.00 -0.02 0.00 0.00 31.44 29.72 2pdi n GLU 64 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2pdi n GLN 65 N -2.17 -5.38 -0.04 3.49 6.02 -0.11 -4.91 117.38 114.28 2pdi n GLN 65 Ca 0.01 0.80 -0.09 0.00 -0.01 0.00 0.00 57.00 57.72 2pdi n GLN 65 Cb 0.18 -5.53 0.08 0.00 1.02 0.00 0.00 30.24 25.99 2pdi n GLN 65 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2pdi h VAL 66 N -1.66 1.29 -3.89 5.09 2.07 -1.51 -3.46 116.25 114.18 2pdi h VAL 66 Ca -0.49 -1.54 -0.13 0.00 0.82 0.00 0.00 66.70 65.36 2pdi h VAL 66 Cb 1.33 1.47 -0.18 0.00 -1.52 0.00 0.00 31.29 32.40 2pdi h VAL 66 CO 0.51 0.49 -0.57 0.68 0.02 0.00 0.00 177.57 178.71 2pdi s VAL 67 N -4.33 0.14 0.22 2.57 -7.23 -1.24 -5.07 120.40 105.47 2pdi s VAL 67 Ca -0.08 -1.17 -0.12 0.00 -1.81 0.00 0.00 61.98 58.80 2pdi s VAL 67 Cb 0.12 -0.90 -0.07 0.00 0.56 0.00 0.00 36.38 36.09 2pdi s VAL 67 CO 0.84 -0.64 0.59 -0.54 -0.31 0.00 0.00 175.10 175.04 2pdi s LYS 68 N -2.64 3.91 0.34 4.82 1.02 -1.26 -4.40 119.74 121.53 2pdi s LYS 68 Ca -0.05 0.43 0.07 0.00 0.02 0.00 0.00 55.97 56.45 2pdi s LYS 68 Cb -0.01 -2.70 0.77 0.00 -0.52 0.00 0.00 37.83 35.37 2pdi s LYS 68 CO -0.05 0.34 1.86 -0.09 -0.92 0.00 0.00 175.35 176.49 2pdi h ARG 69 N 2.81 0.73 0.00 1.68 9.65 -1.96 -1.15 114.38 126.15 2pdi h ARG 69 Ca -0.48 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.35 2pdi h ARG 69 Cb 1.18 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.59 2pdi h ARG 69 CO 0.67 0.48 -0.07 1.05 2.80 0.00 0.00 179.97 184.90 2pdi h GLU 70 N 0.75 0.00 0.00 0.20 9.09 -2.03 -1.59 114.58 120.99 2pdi h GLU 70 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.87 2pdi h GLU 70 Cb 0.68 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.78 2pdi h GLU 70 CO -0.22 0.07 -0.16 0.39 0.05 0.00 0.00 179.01 179.14 2pdi n GLU 71 N -3.79 0.10 -3.72 1.06 1.02 -0.44 -4.87 120.64 110.00 2pdi n GLU 71 Ca -0.02 0.06 -0.31 0.00 -0.02 0.00 0.00 57.16 56.86 2pdi n GLU 71 Cb 0.17 -1.59 -0.05 0.00 -0.02 0.00 0.00 31.44 29.95 2pdi n GLU 71 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pdi s LEU 72 N -3.50 4.28 -0.34 -4.62 1.43 -0.60 -4.85 118.68 110.48 2pdi s LEU 72 Ca 0.12 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2pdi s LEU 72 Cb 0.17 -3.25 0.10 0.00 0.03 0.00 0.00 46.19 43.24 2pdi s LEU 72 CO 0.60 0.07 0.10 0.12 0.23 0.00 0.00 176.35 177.47 2pdi s PHE 73 N -1.64 2.54 -0.19 0.29 2.19 0.13 -4.95 117.98 116.35 2pdi s PHE 73 Ca 0.40 -2.32 -0.05 0.00 0.33 0.00 0.00 56.93 55.29 2pdi s PHE 73 Cb -0.12 -2.22 -0.03 0.00 -1.31 0.00 0.00 43.02 39.34 2pdi s PHE 73 CO 0.25 -0.89 0.01 0.42 1.83 0.00 0.00 175.22 176.84 2pdi s ILE 74 N 1.16 4.09 -0.06 3.12 -1.09 -1.26 -2.38 121.20 124.79 2pdi s ILE 74 Ca 0.11 -0.27 0.03 0.00 -2.23 0.00 0.00 60.65 58.29 2pdi s ILE 74 Cb -0.19 -2.84 -0.02 0.00 -1.58 0.00 0.00 42.46 37.83 2pdi s ILE 74 CO -0.16 0.44 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.17 2pdi s VAL 75 N 0.79 3.10 0.32 2.92 1.01 -0.76 -1.57 120.40 126.21 2pdi s VAL 75 Ca 0.01 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2pdi s VAL 75 Cb -0.14 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 2pdi s VAL 75 CO 0.02 0.58 0.34 -0.55 0.00 0.00 0.00 175.10 175.49 2pdi s SER 76 N -0.54 1.14 -0.05 3.32 0.15 -0.86 -0.65 113.70 116.21 2pdi s SER 76 Ca 0.08 -1.58 -0.05 0.00 0.70 0.00 0.00 55.95 55.10 2pdi s SER 76 Cb -0.12 0.58 0.01 0.00 -1.71 0.00 0.00 66.02 64.79 2pdi s SER 76 CO 0.01 -1.13 0.14 -0.54 1.20 0.00 0.00 173.24 172.92 2pdi s LYS 77 N -3.40 0.16 -0.23 5.44 1.02 -1.25 -1.39 119.74 120.09 2pdi s LYS 77 Ca 0.36 0.20 -0.29 0.00 0.02 0.00 0.00 55.97 56.26 2pdi s LYS 77 Cb 0.02 0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.39 2pdi s LYS 77 CO 0.22 -0.02 1.31 -1.17 -0.92 0.00 0.00 175.35 174.77 2pdi s LEU 78 N 0.12 4.02 0.62 3.17 2.96 0.70 -4.01 118.68 126.27 2pdi s LEU 78 Ca -0.00 1.47 -0.14 0.00 -0.22 0.00 0.00 54.13 55.23 2pdi s LEU 78 Cb -0.01 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 2pdi s LEU 78 CO -0.00 -0.94 1.05 0.86 -1.32 0.00 0.00 176.35 176.00 2pdi s TRP 79 N 4.03 3.08 0.53 5.38 -0.11 -1.26 -2.33 118.94 128.26 2pdi s TRP 79 Ca 0.57 1.47 0.32 0.00 1.22 0.00 0.00 56.10 59.68 2pdi s TRP 79 Cb -0.20 -2.94 1.49 0.00 -1.50 0.00 0.00 33.47 30.32 2pdi s TRP 79 CO 0.20 -1.08 1.87 0.00 -4.62 0.00 0.00 176.95 173.32 2pdi n THR 81 N -4.26 0.20 -1.65 0.00 -2.24 -1.26 -0.54 114.28 104.53 2pdi n THR 81 Ca 0.20 -0.21 0.06 0.00 -2.27 0.00 0.00 64.05 61.83 2pdi n THR 81 Cb 1.01 0.10 0.11 0.00 -2.10 0.00 0.00 70.33 69.46 2pdi n THR 81 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2pdi n TYR 82 N -0.06 0.00 0.30 4.78 4.01 -0.72 -4.13 117.16 121.34 2pdi n TYR 82 Ca 0.06 -0.87 0.16 0.00 -0.16 0.00 0.00 57.90 57.09 2pdi n TYR 82 Cb 0.13 -0.16 0.64 0.00 -0.31 0.00 0.00 39.34 39.64 2pdi n TYR 82 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2pdi h HIS 83 N 0.47 0.00 -3.78 -0.72 3.86 -1.72 -3.35 115.15 109.91 2pdi h HIS 83 Ca -0.04 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.64 2pdi h HIS 83 Cb 1.23 0.00 0.08 0.00 1.06 0.00 0.00 27.41 29.78 2pdi h HIS 83 CO 0.28 0.00 0.73 -1.21 0.86 0.00 0.00 177.93 178.59 2pdi s GLU 84 N -3.59 4.23 0.28 2.45 8.01 -1.26 -4.47 118.70 124.35 2pdi s GLU 84 Ca 0.02 2.39 -0.02 0.00 0.01 0.00 0.00 54.97 57.37 2pdi s GLU 84 Cb 0.09 -3.04 0.62 0.00 -4.31 0.00 0.00 34.13 27.49 2pdi s GLU 84 CO 0.52 -0.39 1.59 -0.22 0.01 0.00 0.00 175.26 176.78 2pdi h LYS 85 N 3.62 0.05 0.00 1.61 3.11 -1.90 -0.08 116.57 122.98 2pdi h LYS 85 Ca -0.49 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 2pdi h LYS 85 Cb 1.23 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.45 2pdi h LYS 85 CO 0.68 0.03 0.00 0.41 -2.81 0.00 0.00 179.45 177.76 2pdi n GLY 86 N -1.48 -1.07 0.00 5.01 0.00 -1.26 -3.43 105.19 102.96 2pdi n GLY 86 Ca 0.19 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.09 2pdi n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pdi n LEU 87 N -1.13 0.22 -0.07 0.99 4.77 -0.06 -4.72 117.00 117.01 2pdi n LEU 87 Ca 0.18 -0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 55.76 2pdi n LEU 87 Cb 0.16 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 2pdi n LEU 87 CO 0.19 0.06 0.79 0.58 -1.33 0.00 0.00 177.39 177.67 2pdi h VAL 88 N 0.00 1.23 -0.55 4.08 2.07 -1.55 -1.96 116.25 119.56 2pdi h VAL 88 Ca 0.00 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 2pdi h VAL 88 Cb 0.26 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2pdi h VAL 88 CO 0.00 0.24 0.28 0.50 0.02 0.00 0.00 177.57 178.61 2pdi h LYS 89 N 0.14 0.79 -0.80 1.57 3.64 -1.84 -1.68 116.57 118.38 2pdi h LYS 89 Ca 0.06 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2pdi h LYS 89 Cb 0.33 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2pdi h LYS 89 CO 0.01 0.63 0.33 0.78 -2.27 0.00 0.00 179.45 178.92 2pdi h GLY 90 N 0.75 1.28 0.96 5.01 0.00 -1.83 0.27 103.07 109.50 2pdi h GLY 90 Ca 0.19 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 2pdi h GLY 90 CO -0.03 0.65 0.08 0.00 0.00 0.00 0.00 176.54 177.24 2pdi h ALA 91 N 1.19 0.18 -0.46 3.60 0.00 -1.11 -0.41 119.26 122.25 2pdi h ALA 91 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2pdi h ALA 91 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2pdi h ALA 91 CO -0.02 -0.30 0.27 0.00 0.00 0.00 0.00 179.25 179.19 2pdi h GLN 93 N 0.61 0.41 -0.20 0.00 4.20 -0.67 0.04 115.11 119.51 2pdi h GLN 93 Ca 0.16 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 2pdi h GLN 93 Cb 0.02 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2pdi h GLN 93 CO -0.03 0.50 0.05 -0.22 -0.67 0.00 0.00 178.83 178.46 2pdi h LYS 94 N 0.39 0.31 -0.46 1.46 1.63 -0.94 -0.84 116.57 118.12 2pdi h LYS 94 Ca 0.08 -0.08 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 2pdi h LYS 94 Cb 0.38 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.93 2pdi h LYS 94 CO 0.02 0.44 0.20 1.15 -3.45 0.00 0.00 179.45 177.81 2pdi h THR 95 N 0.13 0.91 -0.43 1.00 2.02 -1.02 -0.43 112.91 115.08 2pdi h THR 95 Ca 0.06 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.11 2pdi h THR 95 Cb 0.27 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2pdi h THR 95 CO 0.00 0.07 0.28 -0.07 0.37 0.00 0.00 175.52 176.17 2pdi h LEU 96 N 0.40 0.47 -0.48 2.58 3.38 -0.79 0.12 115.31 120.99 2pdi h LEU 96 Ca 0.21 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2pdi h LEU 96 Cb 0.16 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2pdi h LEU 96 CO -0.18 0.34 0.17 -1.28 0.09 0.00 0.00 178.44 177.58 2pdi h SER 97 N 0.57 0.68 -0.58 -0.43 0.87 -0.95 -0.48 113.55 113.22 2pdi h SER 97 Ca 0.16 -0.19 -0.09 0.00 -1.23 0.00 0.00 61.79 60.44 2pdi h SER 97 Cb -0.05 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 2pdi h SER 97 CO -0.05 0.69 0.02 0.44 -0.53 0.00 0.00 176.83 177.40 2pdi h ASP 98 N 0.64 1.01 0.62 6.23 3.32 -0.80 -2.67 116.42 124.76 2pdi h ASP 98 Ca 0.16 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2pdi h ASP 98 Cb 0.23 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2pdi h ASP 98 CO -0.01 1.05 0.00 0.18 -1.72 0.00 0.00 179.24 178.74 2pdi n LEU 99 N -4.19 0.00 -1.74 1.55 4.77 0.01 -3.97 117.00 113.42 2pdi n LEU 99 Ca 0.03 0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 56.20 2pdi n LEU 99 Cb 0.33 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 2pdi n LEU 99 CO 0.44 -0.01 -0.07 0.29 -1.33 0.00 0.00 177.39 176.70 2pdi n LYS 100 N -1.32 -2.15 -4.24 3.23 4.01 -0.41 -4.46 118.16 112.82 2pdi n LYS 100 Ca 0.13 0.59 -0.27 0.00 -0.51 0.00 0.00 58.31 58.25 2pdi n LYS 100 Cb 0.25 -4.77 -0.09 0.00 -0.51 0.00 0.00 35.03 29.91 2pdi n LYS 100 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2pdi s LEU 101 N -4.05 3.16 0.02 -0.35 1.43 -0.33 -4.89 118.68 113.68 2pdi s LEU 101 Ca 0.10 -0.46 0.22 0.00 -1.03 0.00 0.00 54.13 52.96 2pdi s LEU 101 Cb -0.05 -1.84 -0.18 0.00 0.03 0.00 0.00 46.19 44.16 2pdi s LEU 101 CO 0.13 0.10 0.77 -0.90 0.23 0.00 0.00 176.35 176.68 2pdi n ASP 102 N 0.03 0.44 -3.82 2.29 3.85 -1.26 -4.40 116.55 113.68 2pdi n ASP 102 Ca -0.10 -0.19 -0.10 0.00 -0.71 0.00 0.00 54.79 53.68 2pdi n ASP 102 Cb 0.55 1.32 -0.07 0.00 -1.35 0.00 0.00 41.12 41.57 2pdi n ASP 102 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 2pdi s TYR 103 N -3.32 0.07 0.11 2.11 -0.85 -1.26 -4.78 117.35 109.42 2pdi s TYR 103 Ca -0.01 -0.41 -0.02 0.00 -0.52 0.00 0.00 57.07 56.11 2pdi s TYR 103 Cb 0.14 -0.00 -0.05 0.00 0.38 0.00 0.00 41.96 42.43 2pdi s TYR 103 CO 0.86 -0.53 0.29 -0.51 -1.52 0.00 0.00 175.55 174.14 2pdi s LEU 104 N -2.60 4.31 0.16 -3.49 1.43 -0.52 -4.98 118.68 113.00 2pdi s LEU 104 Ca 0.01 0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.56 2pdi s LEU 104 Cb 0.03 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 2pdi s LEU 104 CO -0.09 0.10 1.37 0.44 0.23 0.00 0.00 176.35 178.41 2pdi h ASP 105 N 2.86 0.13 -3.22 2.29 3.32 -1.63 -0.68 116.42 119.48 2pdi h ASP 105 Ca -0.46 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.37 2pdi h ASP 105 Cb 1.17 -0.04 -0.26 0.00 0.22 0.00 0.00 39.33 40.41 2pdi h ASP 105 CO 0.74 0.96 -0.30 -0.22 -1.72 0.00 0.00 179.24 178.70 2pdi s LEU 106 N -7.19 -0.10 -0.08 1.55 2.96 -1.16 -2.17 118.68 112.50 2pdi s LEU 106 Ca -0.01 0.89 0.03 0.00 -0.22 0.00 0.00 54.13 54.82 2pdi s LEU 106 Cb 0.10 1.35 0.01 0.00 0.50 0.00 0.00 46.19 48.15 2pdi s LEU 106 CO 0.82 -0.19 -0.17 -0.47 -1.32 0.00 0.00 176.35 175.02 2pdi s TYR 107 N 1.40 1.90 0.03 5.38 5.04 -0.56 -2.03 117.35 128.51 2pdi s TYR 107 Ca -0.10 -0.76 0.05 0.00 -2.44 0.00 0.00 57.07 53.83 2pdi s TYR 107 Cb -0.08 -1.33 -0.03 0.00 0.35 0.00 0.00 41.96 40.86 2pdi s TYR 107 CO -0.13 -0.35 -0.11 -0.51 -1.34 0.00 0.00 175.55 173.11 2pdi s LEU 108 N 0.59 2.95 -0.24 6.97 1.43 -0.48 -1.80 118.68 128.09 2pdi s LEU 108 Ca -0.15 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 2pdi s LEU 108 Cb -0.16 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 2pdi s LEU 108 CO 0.05 0.26 1.48 -0.63 0.23 0.00 0.00 176.35 177.74 2pdi s ILE 109 N -1.00 3.89 0.13 -0.59 1.01 -0.23 -0.21 121.20 124.20 2pdi s ILE 109 Ca 0.17 1.02 -0.15 0.00 0.00 0.00 0.00 60.65 61.69 2pdi s ILE 109 Cb -0.11 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 2pdi s ILE 109 CO 0.08 -0.34 1.59 -0.74 0.00 0.00 0.00 174.94 175.52 2pdi h HIS 110 N 9.98 0.76 -3.80 3.97 2.76 -1.74 -0.87 115.15 126.21 2pdi h HIS 110 Ca -0.31 -0.12 -0.15 0.00 -2.20 0.00 0.00 60.37 57.59 2pdi h HIS 110 Cb 1.13 -0.20 -0.20 0.00 1.55 0.00 0.00 27.41 29.69 2pdi h HIS 110 CO 0.89 0.76 -0.59 -1.58 -1.30 0.00 0.00 177.93 176.10 2pdi s TRP 111 N -5.08 0.19 -0.41 5.26 0.52 -1.25 -4.28 118.94 113.89 2pdi s TRP 111 Ca -0.13 -0.41 0.24 0.00 0.02 0.00 0.00 56.10 55.82 2pdi s TRP 111 Cb 0.10 -0.14 1.03 0.00 -1.15 0.00 0.00 33.47 33.31 2pdi s TRP 111 CO 0.79 -0.27 1.74 -1.00 0.02 0.00 0.00 176.95 178.23 2pdi h PRO 112 N 4.25 0.00 -5.78 4.98 0.13 -1.79 -3.44 132.00 130.35 2pdi h PRO 112 Ca -0.32 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.23 2pdi h PRO 112 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 2pdi h PRO 112 CO 0.44 0.00 0.22 0.95 -0.23 0.00 0.00 178.00 179.38 2pdi s THR 113 N -3.36 4.97 0.14 1.56 -4.23 -1.26 -4.68 115.64 108.78 2pdi s THR 113 Ca 0.04 1.37 -0.18 0.00 -1.18 0.00 0.00 61.69 61.73 2pdi s THR 113 Cb 0.09 -4.02 -0.07 0.00 1.34 0.00 0.00 72.50 69.84 2pdi s THR 113 CO 0.40 0.09 0.61 -0.83 -0.54 0.00 0.00 174.62 174.34 2pdi s GLY 114 N 1.16 2.60 0.22 3.99 0.00 -1.26 -4.59 107.32 109.44 2pdi s GLY 114 Ca 0.33 0.03 0.11 0.00 0.00 0.00 0.00 44.72 45.19 2pdi s GLY 114 CO 0.11 0.39 -0.21 -1.36 0.00 0.00 0.00 173.10 172.04 2pdi s PHE 115 N -1.33 2.34 -0.04 1.90 0.08 0.30 -1.73 117.98 119.50 2pdi s PHE 115 Ca 0.36 -0.33 -0.37 0.00 0.12 0.00 0.00 56.93 56.70 2pdi s PHE 115 Cb -0.17 -1.12 -0.16 0.00 -0.57 0.00 0.00 43.02 41.00 2pdi s PHE 115 CO 0.20 0.57 1.55 1.17 -0.10 0.00 0.00 175.22 178.60 2pdi n LYS 116 N -0.04 1.34 -1.83 0.44 4.81 -0.28 -4.23 118.16 118.38 2pdi n LYS 116 Ca -0.10 0.49 -0.34 0.00 -0.87 0.00 0.00 58.31 57.49 2pdi n LYS 116 Cb 0.57 -2.17 0.05 0.00 0.02 0.00 0.00 35.03 33.49 2pdi n LYS 116 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2pdi s PRO 117 N 1.85 2.79 0.00 1.64 0.02 -1.26 -4.80 135.00 135.24 2pdi s PRO 117 Ca 0.89 1.59 0.00 0.00 0.02 0.00 0.00 61.00 63.50 2pdi s PRO 117 Cb -0.94 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 31.65 2pdi s PRO 117 CO 0.53 -1.29 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 2pdi n GLY 118 N -0.02 -0.52 0.23 0.52 0.00 -1.26 -4.97 105.19 99.17 2pdi n GLY 118 Ca 0.12 -1.43 -0.05 0.00 0.00 0.00 0.00 46.02 44.66 2pdi n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pdi h LYS 119 N 2.08 0.50 -6.42 1.61 1.57 -1.99 -3.44 116.57 110.48 2pdi h LYS 119 Ca 0.00 -0.23 -0.54 0.00 -1.87 0.00 0.00 60.65 58.01 2pdi h LYS 119 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2pdi h LYS 119 CO 0.00 0.78 0.51 -1.21 -0.57 0.00 0.00 179.45 178.96 2pdi s GLU 120 N -4.34 4.47 0.16 3.15 2.02 -1.26 -4.94 118.70 117.96 2pdi s GLU 120 Ca -0.07 1.61 0.07 0.00 0.02 0.00 0.00 54.97 56.60 2pdi s GLU 120 Cb 0.13 -3.43 -0.05 0.00 0.10 0.00 0.00 34.13 30.88 2pdi s GLU 120 CO 0.81 -0.21 1.37 0.74 0.02 0.00 0.00 175.26 177.98 2pdi h PHE 121 N 6.90 0.06 -2.67 1.61 0.04 -1.95 -3.34 116.94 117.59 2pdi h PHE 121 Ca -0.40 -0.04 -0.60 0.00 2.80 0.00 0.00 57.97 59.73 2pdi h PHE 121 Cb 1.21 -0.01 -0.40 0.00 2.20 0.00 0.00 35.95 38.95 2pdi h PHE 121 CO 0.68 0.92 -0.75 1.19 -0.60 0.00 0.00 178.31 179.75 2pdi n PHE 122 N -3.51 1.62 -2.17 -0.55 3.72 -1.26 -4.71 117.46 110.61 2pdi n PHE 122 Ca -0.01 -3.90 -0.42 0.00 -0.05 0.00 0.00 57.45 53.07 2pdi n PHE 122 Cb 0.85 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 39.06 2pdi n PHE 122 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2pdi s PRO 123 N -1.04 4.33 0.11 -1.08 0.04 -1.26 -4.96 135.00 131.15 2pdi s PRO 123 Ca 0.30 2.08 0.10 0.00 0.04 0.00 0.00 61.00 63.52 2pdi s PRO 123 Cb 0.02 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 2pdi s PRO 123 CO -0.16 -0.40 -0.26 -0.51 0.04 0.00 0.00 177.00 175.71 2pdi s LEU 124 N 0.79 2.30 0.94 -3.56 1.43 -1.26 -0.55 118.68 118.76 2pdi s LEU 124 Ca 0.63 -0.72 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 2pdi s LEU 124 Cb -0.37 -1.15 0.20 0.00 0.03 0.00 0.00 46.19 44.90 2pdi s LEU 124 CO 0.32 0.16 1.29 1.51 0.23 0.00 0.00 176.35 179.87 2pdi s ASP 125 N -1.93 3.18 0.06 2.29 1.47 -0.52 -4.86 116.67 116.36 2pdi s ASP 125 Ca 0.12 0.16 0.20 0.00 1.18 0.00 0.00 52.55 54.21 2pdi s ASP 125 Cb -0.10 -0.22 0.81 0.00 -0.34 0.00 0.00 42.92 43.07 2pdi s ASP 125 CO 0.05 -2.68 1.61 -0.62 0.68 0.00 0.00 175.17 174.22 2pdi n GLU 126 N -3.68 0.05 -0.50 2.11 1.02 -1.26 -1.67 120.64 116.70 2pdi n GLU 126 Ca 0.16 0.23 0.10 0.00 -0.02 0.00 0.00 57.16 57.63 2pdi n GLU 126 Cb 0.59 -1.59 0.34 0.00 -0.02 0.00 0.00 31.44 30.77 2pdi n GLU 126 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2pdi n SER 127 N -1.68 4.34 0.00 1.62 7.64 -1.26 -4.97 113.62 119.31 2pdi n SER 127 Ca 0.04 -2.24 0.00 0.00 1.01 0.00 0.00 58.87 57.68 2pdi n SER 127 Cb 0.23 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2pdi n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pdi n GLY 128 N 1.38 0.55 3.76 0.23 0.00 -0.67 -5.04 105.19 105.40 2pdi n GLY 128 Ca 0.25 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2pdi n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pdi s ASN 129 N -2.17 7.54 0.48 1.61 0.01 -1.26 -4.66 114.94 116.48 2pdi s ASN 129 Ca 0.00 1.83 -0.24 0.00 -0.71 0.00 0.00 52.86 53.74 2pdi s ASN 129 Cb 0.00 -2.56 -0.07 0.00 0.41 0.00 0.00 41.25 39.02 2pdi s ASN 129 CO 0.00 0.18 1.36 0.54 -1.51 0.00 0.00 177.10 177.67 2pdi s VAL 130 N -1.18 2.25 -0.43 1.60 0.11 -0.41 -1.44 120.40 120.90 2pdi s VAL 130 Ca 0.39 0.21 -0.23 0.00 -2.93 0.00 0.00 61.98 59.43 2pdi s VAL 130 Cb -0.25 -3.12 0.02 0.00 -1.53 0.00 0.00 36.38 31.51 2pdi s VAL 130 CO 0.30 0.02 0.76 -0.69 -3.33 0.00 0.00 175.10 172.15 2pdi s VAL 131 N -1.27 4.69 0.86 2.04 1.01 0.28 -4.80 120.40 123.21 2pdi s VAL 131 Ca 0.64 0.44 -0.11 0.00 0.00 0.00 0.00 61.98 62.96 2pdi s VAL 131 Cb -0.40 -4.28 0.11 0.00 0.00 0.00 0.00 36.38 31.80 2pdi s VAL 131 CO 0.50 -0.65 1.10 -2.84 0.00 0.00 0.00 175.10 173.21 2pdi s PRO 132 N 3.18 1.56 0.12 2.72 0.02 -1.26 -1.12 135.00 140.21 2pdi s PRO 132 Ca 0.29 1.18 0.03 0.00 0.02 0.00 0.00 61.00 62.52 2pdi s PRO 132 Cb -0.13 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 2pdi s PRO 132 CO 0.21 -2.14 0.15 -1.54 -0.33 0.00 0.00 177.00 173.35 2pdi s SER 133 N -3.17 5.76 0.00 2.53 1.04 -0.71 -3.68 113.70 115.48 2pdi s SER 133 Ca 0.63 0.01 0.23 0.00 0.48 0.00 0.00 55.95 57.30 2pdi s SER 133 Cb -0.19 -1.59 1.36 0.00 0.10 0.00 0.00 66.02 65.69 2pdi s SER 133 CO 0.57 0.11 1.82 -0.90 0.98 0.00 0.00 173.24 175.82 2pdi n ASP 134 N -0.02 0.00 -4.76 7.02 5.68 -1.26 -4.73 116.55 118.48 2pdi n ASP 134 Ca -0.08 -1.10 -0.38 0.00 -0.50 0.00 0.00 54.79 52.73 2pdi n ASP 134 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 2pdi n ASP 134 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2pdi s THR 135 N -2.00 2.74 0.33 2.12 -4.23 -1.26 -5.04 115.64 108.30 2pdi s THR 135 Ca 0.34 0.59 0.09 0.00 -1.18 0.00 0.00 61.69 61.53 2pdi s THR 135 Cb 0.16 -3.32 -0.05 0.00 1.34 0.00 0.00 72.50 70.63 2pdi s THR 135 CO 0.26 0.03 0.09 0.54 -0.54 0.00 0.00 174.62 175.00 2pdi s ASN 136 N -1.07 4.53 0.22 3.99 4.22 -1.26 -4.70 114.94 120.86 2pdi s ASN 136 Ca 0.63 -0.81 -0.08 0.00 -2.14 0.00 0.00 52.86 50.45 2pdi s ASN 136 Cb -0.34 -0.70 0.31 0.00 1.28 0.00 0.00 41.25 41.81 2pdi s ASN 136 CO 0.42 -0.24 1.75 0.16 -2.04 0.00 0.00 177.10 177.15 2pdi h ILE 137 N 1.66 0.77 -0.64 0.54 3.07 -1.97 -2.65 117.51 118.29 2pdi h ILE 137 Ca -0.44 -0.15 -0.06 0.00 1.55 0.00 0.00 64.86 65.76 2pdi h ILE 137 Cb 1.25 0.28 -0.03 0.00 -0.27 0.00 0.00 36.82 38.06 2pdi h ILE 137 CO 0.64 0.08 0.16 -0.07 -1.05 0.00 0.00 178.15 177.91 2pdi h LEU 138 N 0.45 0.98 -0.49 0.16 3.38 -1.96 0.74 115.31 118.56 2pdi h LEU 138 Ca 0.33 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 2pdi h LEU 138 Cb 0.41 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2pdi h LEU 138 CO -0.31 0.95 -0.39 0.44 0.09 0.00 0.00 178.44 179.22 2pdi h ASP 139 N 0.95 0.87 -0.51 -0.43 3.32 -1.92 -1.92 116.42 116.78 2pdi h ASP 139 Ca 0.20 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2pdi h ASP 139 Cb 0.35 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2pdi h ASP 139 CO 0.00 1.15 0.33 0.74 -1.72 0.00 0.00 179.24 179.74 2pdi h THR 140 N 0.67 1.14 -0.67 0.35 2.02 -1.22 -2.43 112.91 112.77 2pdi h THR 140 Ca 0.06 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 66.98 2pdi h THR 140 Cb 0.95 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 2pdi h THR 140 CO 0.09 0.14 0.43 -0.25 0.37 0.00 0.00 175.52 176.30 2pdi h TRP 141 N 0.68 0.82 -0.60 3.16 2.91 -0.63 -1.59 115.95 120.71 2pdi h TRP 141 Ca 0.18 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.22 2pdi h TRP 141 Cb -0.06 -0.27 -0.03 0.00 -0.51 0.00 0.00 29.16 28.29 2pdi h TRP 141 CO -0.04 0.50 0.37 0.00 -1.03 0.00 0.00 178.44 178.24 2pdi h ALA 142 N 1.26 1.52 -0.12 2.65 0.00 -1.02 -0.83 119.26 122.72 2pdi h ALA 142 Ca 0.26 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2pdi h ALA 142 Cb -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2pdi h ALA 142 CO -0.08 0.42 -0.27 0.00 0.00 0.00 0.00 179.25 179.33 2pdi h ALA 143 N 1.59 1.32 -0.46 0.00 0.00 -0.91 -2.02 119.26 118.77 2pdi h ALA 143 Ca 0.22 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 2pdi h ALA 143 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2pdi h ALA 143 CO -0.04 0.47 -0.22 0.52 0.00 0.00 0.00 179.25 179.98 2pdi h MET 144 N 0.20 0.94 -0.43 0.00 2.07 -0.34 -2.68 114.93 114.69 2pdi h MET 144 Ca 0.03 -0.40 -0.02 0.00 -2.07 0.00 0.00 59.70 57.25 2pdi h MET 144 Cb 0.59 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.26 2pdi h MET 144 CO 0.04 1.06 0.19 0.93 1.07 0.00 0.00 176.91 180.20 2pdi h GLU 145 N 0.81 0.60 -0.41 1.72 5.08 -0.74 -2.04 114.58 119.60 2pdi h GLU 145 Ca 0.11 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2pdi h GLU 145 Cb 0.78 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2pdi h GLU 145 CO 0.06 0.49 0.10 0.93 -1.00 0.00 0.00 179.01 179.59 2pdi h GLU 146 N 0.60 0.60 -0.91 2.33 5.08 -1.03 -2.34 114.58 118.91 2pdi h GLU 146 Ca 0.15 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2pdi h GLU 146 Cb 0.10 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 2pdi h GLU 146 CO -0.02 0.55 0.59 -0.07 -1.00 0.00 0.00 179.01 179.06 2pdi h LEU 147 N 0.59 0.98 -0.34 1.33 3.38 -1.29 -1.30 115.31 118.66 2pdi h LEU 147 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2pdi h LEU 147 Cb 0.22 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2pdi h LEU 147 CO -0.00 0.67 0.22 0.58 0.09 0.00 0.00 178.44 179.99 2pdi h VAL 148 N 1.14 1.10 0.00 1.22 2.07 -1.35 -2.08 116.25 118.36 2pdi h VAL 148 Ca 0.36 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.67 2pdi h VAL 148 Cb 0.01 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2pdi h VAL 148 CO -0.12 0.10 0.00 0.47 0.02 0.00 0.00 177.57 178.04 2pdi n ASP 149 N -4.83 0.00 -0.71 0.57 8.00 -0.64 -1.82 116.55 117.13 2pdi n ASP 149 Ca -0.01 -0.55 0.08 0.00 0.71 0.00 0.00 54.79 55.02 2pdi n ASP 149 Cb 0.04 -0.11 0.10 0.00 -0.02 0.00 0.00 41.12 41.13 2pdi n ASP 149 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2pdi n GLU 150 N -1.11 1.55 -1.02 -1.24 1.02 -0.59 -4.99 120.64 114.27 2pdi n GLU 150 Ca 0.17 -1.63 -0.01 0.00 -0.02 0.00 0.00 57.16 55.68 2pdi n GLU 150 Cb 0.14 -1.33 -0.00 0.00 -0.02 0.00 0.00 31.44 30.22 2pdi n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pdi n GLY 151 N 0.94 0.45 0.16 0.62 0.00 -0.75 -4.91 105.19 101.69 2pdi n GLY 151 Ca 0.11 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2pdi n GLY 151 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pdi h LEU 152 N 0.00 0.00 -7.76 0.99 3.38 -1.61 -3.44 115.31 106.87 2pdi h LEU 152 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 2pdi h LEU 152 Cb 0.19 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.69 2pdi h LEU 152 CO 0.02 0.24 -0.65 0.68 0.09 0.00 0.00 178.44 178.82 2pdi s VAL 153 N -3.12 0.04 -0.06 1.22 -7.23 -1.22 -1.43 120.40 108.60 2pdi s VAL 153 Ca 0.03 -0.30 0.13 0.00 -1.81 0.00 0.00 61.98 60.04 2pdi s VAL 153 Cb 0.07 -0.16 -0.15 0.00 0.56 0.00 0.00 36.38 36.70 2pdi s VAL 153 CO 0.73 -0.16 0.96 0.11 -0.31 0.00 0.00 175.10 176.43 2pdi h LYS 154 N 5.53 0.00 -3.13 4.82 1.79 -1.24 -3.38 116.57 120.96 2pdi h LYS 154 Ca -0.27 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.07 2pdi h LYS 154 Cb 1.21 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.64 2pdi h LYS 154 CO 0.45 0.52 -0.35 0.00 -1.08 0.00 0.00 179.45 179.00 2pdi s ALA 155 N -2.79 -0.67 0.15 3.86 0.00 -0.92 -5.00 121.76 116.39 2pdi s ALA 155 Ca -0.02 0.37 0.09 0.00 0.00 0.00 0.00 51.96 52.40 2pdi s ALA 155 Cb 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 2pdi s ALA 155 CO 0.81 -0.22 -0.20 0.96 0.00 0.00 0.00 175.76 177.11 2pdi s ILE 156 N -0.92 1.85 0.08 0.00 -4.36 -1.26 -1.50 121.20 115.08 2pdi s ILE 156 Ca -0.10 -1.82 -0.03 0.00 -0.26 0.00 0.00 60.65 58.43 2pdi s ILE 156 Cb -0.05 -1.80 0.01 0.00 1.25 0.00 0.00 42.46 41.88 2pdi s ILE 156 CO 0.03 -0.22 0.18 0.61 0.24 0.00 0.00 174.94 175.77 2pdi n GLY 157 N 0.52 1.71 3.32 6.27 0.00 -0.75 -0.70 105.19 115.56 2pdi n GLY 157 Ca -0.15 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.65 2pdi n GLY 157 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2pdi s ILE 158 N -2.77 0.99 -0.13 -0.61 -4.36 -0.20 -1.06 121.20 113.06 2pdi s ILE 158 Ca 0.04 -2.03 -0.11 0.00 -0.26 0.00 0.00 60.65 58.28 2pdi s ILE 158 Cb -0.01 -2.30 0.03 0.00 1.25 0.00 0.00 42.46 41.43 2pdi s ILE 158 CO 0.02 -0.35 0.34 -0.55 0.24 0.00 0.00 174.94 174.64 2pdi s SER 159 N -3.29 -0.35 -1.56 4.36 0.15 -0.33 -1.69 113.70 111.00 2pdi s SER 159 Ca 0.28 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.60 2pdi s SER 159 Cb 0.06 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 2pdi s SER 159 CO 0.08 -0.12 0.00 0.59 1.20 0.00 0.00 173.24 174.99 2pdi n ASN 160 N 2.98 -5.09 -4.72 5.45 3.02 -0.18 -3.84 115.26 112.87 2pdi n ASN 160 Ca -0.14 0.07 -0.39 0.00 -0.03 0.00 0.00 54.58 54.09 2pdi n ASN 160 Cb 0.57 -4.17 -0.05 0.00 -0.61 0.00 0.00 39.78 35.52 2pdi n ASN 160 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2pdi s PHE 161 N -2.82 3.58 0.83 3.10 0.40 -1.26 -4.50 117.98 117.30 2pdi s PHE 161 Ca 0.00 1.16 -0.11 0.00 -0.60 0.00 0.00 56.93 57.38 2pdi s PHE 161 Cb 0.00 -2.72 0.12 0.00 0.51 0.00 0.00 43.02 40.93 2pdi s PHE 161 CO 0.00 0.14 1.18 0.54 0.70 0.00 0.00 175.22 177.78 2pdi s ASN 162 N 0.63 4.04 0.18 1.36 2.20 -1.26 -4.77 114.94 117.32 2pdi s ASN 162 Ca 0.34 0.42 -0.22 0.00 -0.94 0.00 0.00 52.86 52.46 2pdi s ASN 162 Cb -0.17 -0.77 0.10 0.00 -2.00 0.00 0.00 41.25 38.41 2pdi s ASN 162 CO 0.16 -2.14 1.58 -0.74 -2.94 0.00 0.00 177.10 173.02 2pdi h HIS 163 N -1.13 -1.00 0.00 1.54 -0.00 -1.92 0.15 115.15 112.80 2pdi h HIS 163 Ca -0.44 0.07 -0.06 0.00 -0.00 0.00 0.00 60.37 59.94 2pdi h HIS 163 Cb 1.29 0.52 -0.01 0.00 -0.00 0.00 0.00 27.41 29.21 2pdi h HIS 163 CO -0.27 -0.39 -0.29 -0.07 -0.00 0.00 0.00 177.93 176.90 2pdi h LEU 164 N -0.18 0.00 0.06 0.26 3.38 -1.94 -0.48 115.31 116.40 2pdi h LEU 164 Ca 0.22 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.91 2pdi h LEU 164 Cb 0.55 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.32 2pdi h LEU 164 CO -0.67 0.29 -1.19 1.56 0.09 0.00 0.00 178.44 178.52 2pdi h GLN 165 N 0.00 0.47 -0.12 1.13 4.20 -1.63 -0.44 115.11 118.73 2pdi h GLN 165 Ca -0.00 -0.65 -0.00 0.00 0.06 0.00 0.00 58.65 58.06 2pdi h GLN 165 Cb 0.72 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 2pdi h GLN 165 CO 0.04 1.27 0.06 0.28 -0.67 0.00 0.00 178.83 179.81 2pdi h VAL 166 N 0.20 1.10 -0.63 -0.54 2.07 -0.49 -2.61 116.25 115.36 2pdi h VAL 166 Ca -0.15 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.12 2pdi h VAL 166 Cb 1.87 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 2pdi h VAL 166 CO 0.21 0.09 0.41 -0.08 0.02 0.00 0.00 177.57 178.23 2pdi h GLU 167 N 0.08 0.67 -0.63 1.57 4.81 -1.09 -0.60 114.58 119.39 2pdi h GLU 167 Ca 0.04 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2pdi h GLU 167 Cb 0.10 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 2pdi h GLU 167 CO -0.01 0.44 0.39 0.52 -0.73 0.00 0.00 179.01 179.62 2pdi h MET 168 N 0.69 0.73 -0.41 1.92 2.86 -0.77 0.53 114.93 120.49 2pdi h MET 168 Ca 0.26 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.70 2pdi h MET 168 Cb 0.15 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2pdi h MET 168 CO -0.07 0.48 -0.36 0.82 1.06 0.00 0.00 176.91 178.84 2pdi h ILE 169 N 0.75 1.27 -0.03 -1.22 2.04 -0.99 -2.43 117.51 116.91 2pdi h ILE 169 Ca 0.26 -1.53 -0.05 0.00 1.00 0.00 0.00 64.86 64.54 2pdi h ILE 169 Cb 0.04 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2pdi h ILE 169 CO -0.11 0.52 -0.22 -0.07 0.00 0.00 0.00 178.15 178.27 2pdi h LEU 170 N 0.79 0.04 -2.01 1.44 3.38 -0.63 -1.29 115.31 117.03 2pdi h LEU 170 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2pdi h LEU 170 Cb 0.95 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2pdi h LEU 170 CO 0.09 0.26 0.00 0.59 0.09 0.00 0.00 178.44 179.47 2pdi n ASN 171 N -4.26 2.92 -4.71 -0.43 3.02 0.13 -4.97 115.26 106.97 2pdi n ASN 171 Ca -0.02 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.11 2pdi n ASN 171 Cb 0.29 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 2pdi n ASN 171 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2pdi s LYS 172 N -1.27 4.15 -0.00 3.52 2.20 -0.49 -4.89 119.74 122.96 2pdi s LYS 172 Ca 0.37 2.53 -0.35 0.00 -0.36 0.00 0.00 55.97 58.16 2pdi s LYS 172 Cb 0.19 -3.28 -0.13 0.00 -1.51 0.00 0.00 37.83 33.10 2pdi s LYS 172 CO 0.25 -0.75 1.72 -2.30 -0.36 0.00 0.00 175.35 173.91 2pdi n PRO 173 N 4.60 1.99 -1.03 4.03 -0.02 -1.26 -1.11 135.00 142.20 2pdi n PRO 173 Ca 0.16 0.73 -0.01 0.00 -2.02 0.00 0.00 63.50 62.35 2pdi n PRO 173 Cb 0.37 -2.51 -0.00 0.00 -0.02 0.00 0.00 33.50 31.33 2pdi n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pdi n GLY 174 N 3.88 0.50 3.61 -1.23 0.00 -1.26 -4.94 105.19 105.74 2pdi n GLY 174 Ca 0.21 -0.41 -0.55 0.00 0.00 0.00 0.00 46.02 45.26 2pdi n GLY 174 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pdi n LEU 175 N -0.13 1.49 -0.11 0.99 7.94 -0.26 -4.90 117.00 122.01 2pdi n LEU 175 Ca -0.01 1.12 -0.15 0.00 -1.11 0.00 0.00 56.01 55.86 2pdi n LEU 175 Cb 0.07 -1.12 -0.11 0.00 0.53 0.00 0.00 43.42 42.80 2pdi n LEU 175 CO 0.02 -1.06 -1.23 1.17 -1.11 0.00 0.00 177.39 175.17 2pdi n LYS 176 N 2.99 0.63 -4.35 1.96 4.81 -1.26 -4.95 118.16 117.99 2pdi n LYS 176 Ca 0.21 0.12 -0.24 0.00 -0.87 0.00 0.00 58.31 57.53 2pdi n LYS 176 Cb 0.15 -1.46 -0.17 0.00 0.02 0.00 0.00 35.03 33.57 2pdi n LYS 176 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2pdi s TYR 177 N -2.46 1.24 0.61 5.64 2.02 -1.26 -5.14 117.35 118.01 2pdi s TYR 177 Ca -0.28 -0.46 -0.18 0.00 -0.37 0.00 0.00 57.07 55.77 2pdi s TYR 177 Cb 0.08 -0.97 -0.02 0.00 -0.40 0.00 0.00 41.96 40.64 2pdi s TYR 177 CO 0.55 -0.29 1.18 0.15 -1.57 0.00 0.00 175.55 175.57 2pdi s LYS 178 N 0.91 2.89 0.32 -0.62 1.02 -1.26 -4.99 119.74 118.02 2pdi s LYS 178 Ca -0.10 1.71 -0.29 0.00 0.02 0.00 0.00 55.97 57.31 2pdi s LYS 178 Cb -0.15 -1.93 -0.11 0.00 -0.52 0.00 0.00 37.83 35.12 2pdi s LYS 178 CO 0.01 -1.24 1.49 -2.14 -0.92 0.00 0.00 175.35 172.55 2pdi s PRO 179 N -3.52 4.18 0.09 -1.68 0.02 -1.26 -4.84 135.00 127.98 2pdi s PRO 179 Ca 0.75 2.47 0.10 0.00 0.02 0.00 0.00 61.00 64.33 2pdi s PRO 179 Cb -0.27 -3.03 -0.19 0.00 0.02 0.00 0.00 34.50 31.03 2pdi s PRO 179 CO 0.35 -0.49 1.10 0.00 -0.33 0.00 0.00 177.00 177.62 2pdi h ALA 180 N 4.08 0.52 -2.99 -1.55 0.00 -1.28 -3.43 119.26 114.60 2pdi h ALA 180 Ca -0.48 -1.02 -0.16 0.00 0.00 0.00 0.00 54.91 53.24 2pdi h ALA 180 Cb 1.23 0.06 -0.23 0.00 0.00 0.00 0.00 17.79 18.84 2pdi h ALA 180 CO 0.72 1.27 -0.52 0.08 0.00 0.00 0.00 179.25 180.80 2pdi s VAL 181 N -2.71 0.05 -0.22 0.00 1.01 -1.26 -1.64 120.40 115.63 2pdi s VAL 181 Ca -0.01 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.54 2pdi s VAL 181 Cb 0.09 -0.34 0.05 0.00 0.00 0.00 0.00 36.38 36.18 2pdi s VAL 181 CO 0.81 -0.25 -0.11 0.21 0.00 0.00 0.00 175.10 175.76 2pdi s ASN 182 N -0.85 3.74 -0.28 3.32 3.04 -0.66 -1.03 114.94 122.22 2pdi s ASN 182 Ca -0.09 -1.05 -0.13 0.00 0.04 0.00 0.00 52.86 51.63 2pdi s ASN 182 Cb -0.05 -1.35 -0.04 0.00 -1.54 0.00 0.00 41.25 38.26 2pdi s ASN 182 CO 0.01 -0.15 0.27 -1.58 -3.04 0.00 0.00 177.10 172.61 2pdi s GLN 183 N 1.29 3.97 0.12 0.43 0.74 -0.68 -1.92 119.66 123.61 2pdi s GLN 183 Ca -0.03 -0.17 -0.00 0.00 0.05 0.00 0.00 55.36 55.20 2pdi s GLN 183 Cb -0.17 -3.66 -0.04 0.00 1.10 0.00 0.00 33.01 30.23 2pdi s GLN 183 CO -0.08 -0.23 0.02 0.96 -0.55 0.00 0.00 175.29 175.41 2pdi s ILE 184 N 1.89 0.30 0.18 -2.34 -4.36 0.43 -1.01 121.20 116.29 2pdi s ILE 184 Ca 0.10 -1.91 -0.30 0.00 -0.26 0.00 0.00 60.65 58.28 2pdi s ILE 184 Cb -0.16 -1.92 -0.09 0.00 1.25 0.00 0.00 42.46 41.54 2pdi s ILE 184 CO 0.11 -0.61 1.33 -0.70 0.24 0.00 0.00 174.94 175.30 2pdi s GLU 185 N -3.97 4.37 -0.29 0.37 2.12 -1.26 -1.09 118.70 118.95 2pdi s GLU 185 Ca 0.19 2.06 -0.15 0.00 0.36 0.00 0.00 54.97 57.44 2pdi s GLU 185 Cb 0.07 -3.21 0.10 0.00 0.26 0.00 0.00 34.13 31.36 2pdi s GLU 185 CO -0.01 -0.30 0.75 0.00 -0.54 0.00 0.00 175.26 175.16 2pdi s HIS 187 N 1.83 -0.07 0.64 0.00 -3.43 -0.77 -4.29 115.29 109.19 2pdi s HIS 187 Ca -0.09 -0.26 0.33 0.00 -0.80 0.00 0.00 55.06 54.25 2pdi s HIS 187 Cb -0.06 0.66 1.84 0.00 -1.43 0.00 0.00 32.58 33.59 2pdi s HIS 187 CO -0.19 -0.85 2.10 -1.35 -2.00 0.00 0.00 174.74 172.45 2pdi h PRO 188 N 2.00 0.00 -0.00 -0.38 0.11 -1.88 0.10 132.00 131.94 2pdi h PRO 188 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2pdi h PRO 188 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2pdi h PRO 188 CO 0.28 0.00 -0.17 0.66 -0.21 0.00 0.00 178.00 178.56 2pdi n TYR 189 N -3.29 0.00 -3.02 0.65 4.01 -1.26 -1.12 117.16 113.12 2pdi n TYR 189 Ca -0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.58 2pdi n TYR 189 Cb 0.30 -0.25 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 2pdi n TYR 189 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 2pdi n LEU 190 N -1.15 -1.84 0.17 7.72 7.94 0.01 -1.04 117.00 128.81 2pdi n LEU 190 Ca 0.11 -3.74 0.12 0.00 -1.11 0.00 0.00 56.01 51.39 2pdi n LEU 190 Cb 0.30 0.69 0.12 0.00 0.53 0.00 0.00 43.42 45.06 2pdi n LEU 190 CO 0.27 1.95 0.53 0.71 -1.11 0.00 0.00 177.39 179.73 2pdi h THR 191 N 4.00 0.00 -4.66 1.96 1.35 -1.77 -2.05 112.91 111.74 2pdi h THR 191 Ca 0.09 -0.97 -0.39 0.00 -0.55 0.00 0.00 66.41 64.58 2pdi h THR 191 Cb 0.99 1.79 0.08 0.00 -1.73 0.00 0.00 68.15 69.28 2pdi h THR 191 CO 0.26 0.00 -0.60 0.00 -0.25 0.00 0.00 175.52 174.92 2pdi n GLN 192 N -2.90 -5.50 -0.34 4.72 1.13 -1.26 -4.85 117.38 108.37 2pdi n GLN 192 Ca 0.03 0.86 -0.03 0.00 -1.94 0.00 0.00 57.00 55.92 2pdi n GLN 192 Cb 0.53 -5.70 0.09 0.00 0.11 0.00 0.00 30.24 25.27 2pdi n GLN 192 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2pdi h GLU 193 N -1.67 1.23 -0.18 -1.09 3.07 -1.99 -0.49 114.58 113.46 2pdi h GLU 193 Ca -0.52 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 58.17 2pdi h GLU 193 Cb 1.36 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2pdi h GLU 193 CO 0.55 0.84 -0.14 0.87 -1.40 0.00 0.00 179.01 179.73 2pdi h LYS 194 N 1.25 0.41 -0.46 2.33 1.79 -2.00 -2.48 116.57 117.41 2pdi h LYS 194 Ca 0.33 -0.20 -0.12 0.00 -2.18 0.00 0.00 60.65 58.47 2pdi h LYS 194 Cb -0.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 2pdi h LYS 194 CO -0.07 0.75 -0.19 1.25 -1.08 0.00 0.00 179.45 180.12 2pdi h LEU 195 N 0.07 0.97 -0.27 2.94 5.85 -1.90 -0.97 115.31 121.99 2pdi h LEU 195 Ca 0.03 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 2pdi h LEU 195 Cb 0.66 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2pdi h LEU 195 CO 0.04 1.14 0.16 0.40 -0.34 0.00 0.00 178.44 179.84 2pdi h ILE 196 N 0.79 1.10 -0.67 4.05 2.04 -1.13 -0.94 117.51 122.75 2pdi h ILE 196 Ca 0.11 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 2pdi h ILE 196 Cb 0.76 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2pdi h ILE 196 CO 0.06 0.10 0.19 -0.61 0.00 0.00 0.00 178.15 177.89 2pdi h GLN 197 N 0.34 1.06 -0.19 2.37 -0.00 -1.33 -0.84 115.11 116.52 2pdi h GLN 197 Ca 0.10 -0.24 0.01 0.00 -0.00 0.00 0.00 58.65 58.52 2pdi h GLN 197 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 27.34 2pdi h GLN 197 CO -0.02 0.93 0.09 -0.92 0.00 0.00 0.00 178.83 178.91 2pdi h TYR 198 N 0.99 0.16 -0.34 3.99 3.20 -0.94 0.14 116.97 124.17 2pdi h TYR 198 Ca 0.21 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 2pdi h TYR 198 Cb 0.33 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 2pdi h TYR 198 CO 0.02 0.09 0.08 0.00 -1.64 0.00 0.00 178.16 176.72 2pdi h GLN 200 N 0.40 1.14 0.00 0.00 4.20 -1.00 -1.05 115.11 118.81 2pdi h GLN 200 Ca 0.11 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2pdi h GLN 200 Cb 0.30 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 2pdi h GLN 200 CO 0.00 0.76 -0.01 0.66 -0.67 0.00 0.00 178.83 179.57 2pdi h SER 201 N 1.18 0.00 -0.51 1.46 4.64 -0.23 -1.71 113.55 118.37 2pdi h SER 201 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2pdi h SER 201 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2pdi h SER 201 CO -0.07 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.18 2pdi n LYS 202 N -3.12 2.58 -1.09 4.77 4.76 -0.64 -4.97 118.16 120.45 2pdi n LYS 202 Ca -0.02 -2.41 -0.03 0.00 -2.87 0.00 0.00 58.31 52.98 2pdi n LYS 202 Cb 0.15 -1.52 -0.01 0.00 -1.84 0.00 0.00 35.03 31.81 2pdi n LYS 202 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pdi n GLY 203 N 1.49 0.62 3.63 0.72 0.00 -0.64 -5.03 105.19 105.99 2pdi n GLY 203 Ca 0.21 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 2pdi n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pdi s ILE 204 N -2.02 5.18 0.28 -0.61 1.01 -0.49 -4.39 121.20 120.16 2pdi s ILE 204 Ca 0.00 0.64 -0.29 0.00 0.00 0.00 0.00 60.65 61.00 2pdi s ILE 204 Cb 0.00 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.66 2pdi s ILE 204 CO 0.00 0.19 0.99 -0.69 0.00 0.00 0.00 174.94 175.43 2pdi s VAL 205 N 1.78 3.93 -0.16 2.92 1.01 -0.65 -3.48 120.40 125.75 2pdi s VAL 205 Ca 0.17 1.84 -0.06 0.00 0.00 0.00 0.00 61.98 63.93 2pdi s VAL 205 Cb -0.15 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2pdi s VAL 205 CO 0.09 0.36 0.03 -0.69 0.00 0.00 0.00 175.10 174.89 2pdi s VAL 206 N -1.30 4.51 -0.16 2.92 1.01 -1.26 -1.66 120.40 124.46 2pdi s VAL 206 Ca 0.45 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.23 2pdi s VAL 206 Cb -0.26 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2pdi s VAL 206 CO 0.32 0.49 0.04 -0.89 0.00 0.00 0.00 175.10 175.06 2pdi s THR 207 N 0.17 4.60 -0.25 3.92 2.01 -0.81 -1.82 115.64 123.46 2pdi s THR 207 Ca 0.03 -0.11 -0.15 0.00 0.31 0.00 0.00 61.69 61.77 2pdi s THR 207 Cb -0.13 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2pdi s THR 207 CO 0.01 0.50 0.35 0.00 -0.69 0.00 0.00 174.62 174.79 2pdi s ALA 208 N 0.11 3.57 0.38 7.40 0.00 0.13 -0.43 121.76 132.91 2pdi s ALA 208 Ca 0.04 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.32 2pdi s ALA 208 Cb -0.12 -2.64 -0.00 0.00 0.00 0.00 0.00 23.12 20.35 2pdi s ALA 208 CO 0.01 -0.50 0.53 1.52 0.00 0.00 0.00 175.76 177.32 2pdi s TYR 209 N 1.74 3.00 -1.56 0.00 -0.85 -0.25 -2.99 117.35 116.45 2pdi s TYR 209 Ca 0.15 -0.25 -0.07 0.00 -0.52 0.00 0.00 57.07 56.38 2pdi s TYR 209 Cb -0.15 -2.18 0.06 0.00 0.38 0.00 0.00 41.96 40.07 2pdi s TYR 209 CO 0.09 -0.21 0.44 0.43 -1.52 0.00 0.00 175.55 174.78 2pdi n SER 210 N -1.76 -0.96 0.29 -0.18 7.64 -1.26 -2.19 113.62 115.21 2pdi n SER 210 Ca 0.03 -1.09 0.18 0.00 1.01 0.00 0.00 58.87 59.00 2pdi n SER 210 Cb 0.58 -2.53 0.87 0.00 -1.01 0.00 0.00 64.21 62.12 2pdi n SER 210 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2pdi h PRO 211 N -1.66 0.00 -0.48 1.43 0.13 -1.82 -0.95 132.00 128.66 2pdi h PRO 211 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2pdi h PRO 211 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2pdi h PRO 211 CO 0.71 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 179.80 2pdi n LEU 212 N -3.27 3.60 -0.36 1.56 4.77 -1.26 -4.78 117.00 117.25 2pdi n LEU 212 Ca -0.01 -1.61 -0.04 0.00 -0.03 0.00 0.00 56.01 54.31 2pdi n LEU 212 Cb 0.21 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 2pdi n LEU 212 CO 0.26 0.81 -0.04 0.61 -1.33 0.00 0.00 177.39 177.69 2pdi n GLY 213 N 1.56 0.55 3.88 -0.72 0.00 -0.36 -4.45 105.19 105.64 2pdi n GLY 213 Ca 0.21 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 2pdi n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pdi n SER 214 N 1.30 -4.75 0.20 1.61 2.88 -1.26 -4.85 113.62 108.75 2pdi n SER 214 Ca -0.04 -1.12 0.18 0.00 -1.33 0.00 0.00 58.87 56.55 2pdi n SER 214 Cb 0.26 -2.31 0.83 0.00 -0.75 0.00 0.00 64.21 62.23 2pdi n SER 214 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2pdi h PRO 215 N -1.95 0.00 -0.37 -1.46 0.13 -1.98 -0.80 132.00 125.57 2pdi h PRO 215 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2pdi h PRO 215 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2pdi h PRO 215 CO 0.48 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.85 2pdi n ASP 216 N -3.74 2.21 -4.72 1.44 5.75 -1.26 -4.95 116.55 111.29 2pdi n ASP 216 Ca 0.02 -1.94 -0.43 0.00 -0.01 0.00 0.00 54.79 52.43 2pdi n ASP 216 Cb 0.36 -0.25 -0.02 0.00 -1.03 0.00 0.00 41.12 40.19 2pdi n ASP 216 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2pdi n ARG 217 N 0.70 2.42 0.05 0.11 1.85 -0.31 -4.85 116.66 116.63 2pdi n ARG 217 Ca 0.15 0.86 0.10 0.00 -1.00 0.00 0.00 57.85 57.95 2pdi n ARG 217 Cb 0.37 -2.57 0.40 0.00 -1.05 0.00 0.00 32.46 29.61 2pdi n ARG 217 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2pdi n PRO 218 N 1.69 0.08 -0.57 2.89 -0.04 -1.26 -2.87 135.00 134.92 2pdi n PRO 218 Ca 0.08 0.29 0.08 0.00 -0.04 0.00 0.00 63.50 63.91 2pdi n PRO 218 Cb 0.35 -1.64 0.31 0.00 -0.04 0.00 0.00 33.50 32.48 2pdi n PRO 218 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2pdi n TRP 219 N -1.79 1.31 -1.70 0.54 2.14 -1.26 -5.03 117.44 111.65 2pdi n TRP 219 Ca 0.03 -0.75 -0.41 0.00 2.07 0.00 0.00 57.50 58.45 2pdi n TRP 219 Cb 0.22 -0.33 0.01 0.00 -0.81 0.00 0.00 31.31 30.41 2pdi n TRP 219 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2pdi n ALA 220 N 0.21 1.25 -2.65 -1.67 0.00 -1.14 -5.03 120.51 111.48 2pdi n ALA 220 Ca 0.23 0.25 -0.28 0.00 0.00 0.00 0.00 53.44 53.64 2pdi n ALA 220 Cb 0.93 -2.26 -0.16 0.00 0.00 0.00 0.00 19.45 17.96 2pdi n ALA 220 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2pdi s LYS 221 N -2.24 1.94 0.55 0.00 3.01 -1.26 -5.05 119.74 116.68 2pdi s LYS 221 Ca 0.62 -0.74 0.25 0.00 -1.01 0.00 0.00 55.97 55.08 2pdi s LYS 221 Cb -0.50 -1.74 1.45 0.00 -1.01 0.00 0.00 37.83 36.03 2pdi s LYS 221 CO 0.57 0.37 2.04 -1.00 0.51 0.00 0.00 175.35 177.84 2pdi h PRO 222 N 5.93 0.00 -0.00 -1.68 0.13 -2.01 -0.35 132.00 134.02 2pdi h PRO 222 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2pdi h PRO 222 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2pdi h PRO 222 CO 0.48 0.00 -0.03 -0.85 -0.23 0.00 0.00 178.00 177.36 2pdi n GLU 223 N -4.20 0.45 -1.96 0.86 0.00 -1.26 -4.85 120.64 109.68 2pdi n GLU 223 Ca 0.05 -0.05 -0.36 0.00 0.00 0.00 0.00 57.16 56.81 2pdi n GLU 223 Cb 0.45 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.43 2pdi n GLU 223 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2pdi s ASP 224 N -2.59 5.07 0.59 -1.84 1.01 -0.14 -5.00 116.67 113.76 2pdi s ASP 224 Ca 0.27 2.44 -0.17 0.00 0.71 0.00 0.00 52.55 55.81 2pdi s ASP 224 Cb 0.20 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 2pdi s ASP 224 CO 0.47 -1.68 1.09 -2.16 0.21 0.00 0.00 175.17 173.11 2pdi s PRO 225 N -3.34 3.22 -0.26 8.23 0.04 -1.26 -5.01 135.00 136.62 2pdi s PRO 225 Ca 0.79 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 63.23 2pdi s PRO 225 Cb -0.32 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.29 2pdi s PRO 225 CO 0.34 -0.92 0.04 0.45 0.04 0.00 0.00 177.00 176.95 2pdi s SER 226 N -2.31 3.69 0.20 6.66 0.15 -1.26 -5.02 113.70 115.81 2pdi s SER 226 Ca 0.68 -1.30 -0.11 0.00 0.70 0.00 0.00 55.95 55.92 2pdi s SER 226 Cb -0.20 -0.90 0.17 0.00 -1.71 0.00 0.00 66.02 63.38 2pdi s SER 226 CO 0.33 -0.34 1.84 -0.07 1.20 0.00 0.00 173.24 176.21 2pdi h LEU 227 N 8.08 0.69 -1.44 3.45 3.38 -1.92 -1.46 115.31 126.08 2pdi h LEU 227 Ca -0.15 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2pdi h LEU 227 Cb 1.06 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2pdi h LEU 227 CO 0.42 0.48 -0.12 -0.07 0.09 0.00 0.00 178.44 179.24 2pdi h LEU 228 N 0.83 0.00 -2.38 1.67 3.38 -1.96 -2.59 115.31 114.26 2pdi h LEU 228 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2pdi h LEU 228 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2pdi h LEU 228 CO -0.10 0.12 0.00 -0.62 0.09 0.00 0.00 178.44 177.93 2pdi n GLU 229 N -3.31 2.36 -2.25 1.13 1.02 -0.86 -4.86 120.64 113.88 2pdi n GLU 229 Ca -0.00 -2.15 -0.43 0.00 -0.02 0.00 0.00 57.16 54.56 2pdi n GLU 229 Cb 0.34 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.30 2pdi n GLU 229 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2pdi s ASP 230 N -1.25 6.59 0.59 1.62 -1.08 -0.61 -4.89 116.67 117.63 2pdi s ASP 230 Ca 0.34 1.56 0.29 0.00 -0.52 0.00 0.00 52.55 54.22 2pdi s ASP 230 Cb 0.19 -2.54 1.79 0.00 -1.46 0.00 0.00 42.92 40.91 2pdi s ASP 230 CO 0.26 -1.09 2.24 -0.65 0.52 0.00 0.00 175.17 176.46 2pdi h PRO 231 N 9.77 0.00 -0.26 4.34 0.11 -1.91 -0.61 132.00 143.45 2pdi h PRO 231 Ca -0.31 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.69 2pdi h PRO 231 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2pdi h PRO 231 CO 1.00 0.01 -0.32 0.00 -0.21 0.00 0.00 178.00 178.48 2pdi h ARG 232 N 0.00 0.54 0.21 1.05 3.08 -1.96 0.26 114.38 117.55 2pdi h ARG 232 Ca -0.00 -0.23 -0.28 0.00 0.07 0.00 0.00 59.98 59.53 2pdi h ARG 232 Cb 0.02 -0.02 0.03 0.00 0.08 0.00 0.00 29.97 30.08 2pdi h ARG 232 CO 0.00 0.79 -1.26 0.82 -1.07 0.00 0.00 179.97 179.25 2pdi h ILE 233 N 0.46 1.33 -0.96 2.04 2.04 -1.69 -3.08 117.51 117.66 2pdi h ILE 233 Ca 0.06 -2.62 0.13 0.00 1.00 0.00 0.00 64.86 63.43 2pdi h ILE 233 Cb 0.78 3.08 -0.08 0.00 -0.74 0.00 0.00 36.82 39.85 2pdi h ILE 233 CO 0.06 0.77 0.61 0.11 0.00 0.00 0.00 178.15 179.71 2pdi h LYS 234 N -0.06 0.83 -0.55 2.37 1.57 -1.08 -0.57 116.57 119.07 2pdi h LYS 234 Ca -0.22 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 2pdi h LYS 234 Cb 1.96 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 34.06 2pdi h LYS 234 CO 0.22 0.55 -0.03 0.00 -0.57 0.00 0.00 179.45 179.62 2pdi h ALA 235 N 1.57 0.91 -0.61 3.86 0.00 -0.88 -1.43 119.26 122.68 2pdi h ALA 235 Ca 0.48 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2pdi h ALA 235 Cb 0.61 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2pdi h ALA 235 CO -0.25 0.64 0.13 0.82 0.00 0.00 0.00 179.25 180.59 2pdi h ILE 236 N 0.88 1.26 -0.39 0.00 2.04 -1.23 -1.96 117.51 118.11 2pdi h ILE 236 Ca 0.16 -0.95 0.06 0.00 1.00 0.00 0.00 64.86 65.12 2pdi h ILE 236 Cb 0.55 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 2pdi h ILE 236 CO 0.03 0.35 0.09 0.00 0.00 0.00 0.00 178.15 178.63 2pdi h ALA 237 N 1.03 0.43 -0.96 1.87 0.00 -0.88 -2.71 119.26 118.04 2pdi h ALA 237 Ca 0.19 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2pdi h ALA 237 Cb 0.38 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2pdi h ALA 237 CO 0.01 -0.31 0.61 0.00 0.00 0.00 0.00 179.25 179.56 2pdi h ALA 238 N 1.28 1.22 -0.59 0.00 0.00 -1.08 0.01 119.26 120.11 2pdi h ALA 238 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2pdi h ALA 238 Cb 0.20 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2pdi h ALA 238 CO -0.23 0.65 0.33 -0.22 0.00 0.00 0.00 179.25 179.78 2pdi h LYS 239 N 1.32 0.81 -0.10 0.00 3.64 -1.07 -2.40 116.57 118.76 2pdi h LYS 239 Ca 0.35 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2pdi h LYS 239 Cb -0.10 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.55 2pdi h LYS 239 CO -0.07 0.59 0.00 0.72 -2.27 0.00 0.00 179.45 178.42 2pdi n HIS 240 N -4.40 0.12 -3.69 1.91 8.25 -0.75 -4.95 115.22 111.72 2pdi n HIS 240 Ca 0.06 -0.06 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 2pdi n HIS 240 Cb 0.09 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.26 2pdi n HIS 240 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2pdi n ASN 241 N 0.63 -4.20 -4.40 0.41 3.02 -0.12 -4.99 115.26 105.61 2pdi n ASN 241 Ca 0.17 -0.68 -0.22 0.00 -0.03 0.00 0.00 54.58 53.83 2pdi n ASN 241 Cb 0.43 -4.52 -0.10 0.00 -0.61 0.00 0.00 39.78 34.98 2pdi n ASN 241 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2pdi s LYS 242 N -6.19 1.67 0.57 3.52 -0.14 -0.58 -5.03 119.74 113.57 2pdi s LYS 242 Ca 0.40 -1.94 -0.04 0.00 -1.36 0.00 0.00 55.97 53.03 2pdi s LYS 242 Cb -0.19 -0.79 0.01 0.00 -1.68 0.00 0.00 37.83 35.18 2pdi s LYS 242 CO 0.78 -0.23 0.85 0.95 -0.76 0.00 0.00 175.35 176.93 2pdi s THR 243 N -3.32 3.49 0.21 2.17 -4.23 -1.26 -4.22 115.64 108.48 2pdi s THR 243 Ca 0.35 -0.19 -0.09 0.00 -1.18 0.00 0.00 61.69 60.57 2pdi s THR 243 Cb 0.08 -3.37 0.16 0.00 1.34 0.00 0.00 72.50 70.71 2pdi s THR 243 CO 0.15 -0.35 1.85 0.74 -0.54 0.00 0.00 174.62 176.47 2pdi h THR 244 N -0.08 1.22 -0.79 3.99 2.02 -1.92 -1.79 112.91 115.57 2pdi h THR 244 Ca -0.45 -0.51 0.04 0.00 0.77 0.00 0.00 66.41 66.26 2pdi h THR 244 Cb 1.27 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 2pdi h THR 244 CO 0.59 0.24 0.52 0.00 0.37 0.00 0.00 175.52 177.24 2pdi h ALA 245 N 1.24 1.54 -0.62 6.16 0.00 -1.93 -1.00 119.26 124.66 2pdi h ALA 245 Ca 0.28 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 2pdi h ALA 245 Cb -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2pdi h ALA 245 CO -0.05 0.37 0.12 1.96 0.00 0.00 0.00 179.25 181.65 2pdi h GLN 246 N 0.95 1.01 -0.45 0.00 4.20 -1.72 -0.71 115.11 118.37 2pdi h GLN 246 Ca 0.32 -0.26 -0.13 0.00 0.06 0.00 0.00 58.65 58.65 2pdi h GLN 246 Cb 0.08 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2pdi h GLN 246 CO -0.10 0.93 -0.21 0.28 -0.67 0.00 0.00 178.83 179.06 2pdi h VAL 247 N 0.92 1.27 0.00 -0.54 2.07 -0.90 -0.56 116.25 118.51 2pdi h VAL 247 Ca 0.19 -1.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 2pdi h VAL 247 Cb 0.39 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2pdi h VAL 247 CO 0.01 0.47 -0.15 -0.07 0.02 0.00 0.00 177.57 177.85 2pdi h LEU 248 N 0.79 0.00 0.08 2.57 3.38 -0.45 -0.84 115.31 120.84 2pdi h LEU 248 Ca 0.10 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.85 2pdi h LEU 248 Cb 0.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2pdi h LEU 248 CO 0.07 0.15 -1.14 0.40 0.09 0.00 0.00 178.44 178.00 2pdi h ILE 249 N 0.00 1.16 -0.17 1.22 2.04 -0.98 -3.37 117.51 117.41 2pdi h ILE 249 Ca -0.00 -2.37 -0.08 0.00 1.00 0.00 0.00 64.86 63.41 2pdi h ILE 249 Cb 0.51 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 2pdi h ILE 249 CO 0.02 0.63 -0.25 -0.09 0.00 0.00 0.00 178.15 178.45 2pdi h ARG 250 N -0.52 0.30 0.13 2.37 9.65 -0.93 -3.23 114.38 122.15 2pdi h ARG 250 Ca -0.26 -0.10 0.01 0.00 -1.10 0.00 0.00 59.98 58.53 2pdi h ARG 250 Cb 1.57 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 30.08 2pdi h ARG 250 CO 0.01 0.54 -0.52 0.35 2.80 0.00 0.00 179.97 183.15 2pdi h PHE 251 N 0.27 -1.51 -0.28 2.20 3.57 -1.31 -1.97 116.94 117.92 2pdi h PHE 251 Ca 0.04 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 2pdi h PHE 251 Cb 0.59 0.64 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 2pdi h PHE 251 CO 0.01 -0.60 0.01 -1.00 -2.23 0.00 0.00 178.31 174.51 2pdi h PRO 252 N -0.76 0.42 -0.85 6.41 0.13 -1.74 -2.72 132.00 132.89 2pdi h PRO 252 Ca -0.00 -0.07 0.15 0.00 -0.87 0.00 0.00 66.00 65.20 2pdi h PRO 252 Cb 0.76 -0.07 -0.10 0.00 0.13 0.00 0.00 31.00 31.73 2pdi h PRO 252 CO -0.28 0.43 0.43 0.52 -0.23 0.00 0.00 178.00 178.87 2pdi h MET 253 N 0.41 0.59 0.00 0.86 2.86 -1.46 -0.82 114.93 117.37 2pdi h MET 253 Ca 0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2pdi h MET 253 Cb 0.25 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2pdi h MET 253 CO 0.00 0.39 0.00 1.04 1.06 0.00 0.00 176.91 179.41 2pdi n GLN 254 N -4.88 0.43 -0.41 1.72 6.02 -0.78 -2.16 117.38 117.32 2pdi n GLN 254 Ca 0.17 0.04 0.11 0.00 -0.01 0.00 0.00 57.00 57.31 2pdi n GLN 254 Cb 0.44 -1.50 0.32 0.00 1.02 0.00 0.00 30.24 30.52 2pdi n GLN 254 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2pdi n ARG 255 N -1.23 2.97 -2.42 -1.09 1.74 -0.38 -4.92 116.66 111.32 2pdi n ARG 255 Ca 0.13 -2.68 -0.14 0.00 -0.77 0.00 0.00 57.85 54.40 2pdi n ARG 255 Cb 0.18 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 2pdi n ARG 255 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pdi n ASN 256 N 1.44 -4.25 -4.94 0.55 3.02 -0.92 -5.02 115.26 105.14 2pdi n ASN 256 Ca 0.24 -0.07 -0.25 0.00 -0.03 0.00 0.00 54.58 54.47 2pdi n ASN 256 Cb 0.67 -3.33 -0.03 0.00 -0.61 0.00 0.00 39.78 36.48 2pdi n ASN 256 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2pdi s LEU 257 N -4.03 4.31 0.26 3.41 1.43 -0.78 -4.64 118.68 118.65 2pdi s LEU 257 Ca 0.06 0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 53.13 2pdi s LEU 257 Cb -0.03 -2.88 -0.09 0.00 0.03 0.00 0.00 46.19 43.22 2pdi s LEU 257 CO 0.08 0.04 0.73 -0.69 0.23 0.00 0.00 176.35 176.74 2pdi s VAL 258 N -1.77 4.60 0.01 -1.59 1.01 -0.76 -4.05 120.40 117.84 2pdi s VAL 258 Ca 0.34 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.50 2pdi s VAL 258 Cb -0.11 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2pdi s VAL 258 CO 0.28 0.06 -0.03 0.54 0.00 0.00 0.00 175.10 175.96 2pdi s VAL 259 N -1.69 0.18 -0.46 2.92 0.11 0.33 0.19 120.40 121.98 2pdi s VAL 259 Ca 0.47 -0.30 0.09 0.00 -2.93 0.00 0.00 61.98 59.31 2pdi s VAL 259 Cb -0.14 -0.20 0.30 0.00 -1.53 0.00 0.00 36.38 34.81 2pdi s VAL 259 CO 0.20 -0.07 0.72 2.30 -3.33 0.00 0.00 175.10 174.91 2pdi n ILE 260 N 2.68 0.73 -1.75 7.04 -5.35 -1.16 -1.25 119.36 120.29 2pdi n ILE 260 Ca -0.15 -4.72 -0.41 0.00 -0.27 0.00 0.00 62.75 57.19 2pdi n ILE 260 Cb 0.58 -1.27 -0.01 0.00 -1.74 0.00 0.00 39.64 37.20 2pdi n ILE 260 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2pdi n PRO 261 N 0.59 2.73 -3.48 6.28 -0.04 -1.20 -3.30 135.00 136.59 2pdi n PRO 261 Ca 0.26 0.97 -0.38 0.00 -0.04 0.00 0.00 63.50 64.31 2pdi n PRO 261 Cb 0.53 -2.75 -0.06 0.00 -0.04 0.00 0.00 33.50 31.17 2pdi n PRO 261 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2pdi s LYS 262 N -0.71 4.01 -0.02 0.54 2.36 -1.26 -1.32 119.74 123.35 2pdi s LYS 262 Ca 0.62 0.39 -0.23 0.00 -2.55 0.00 0.00 55.97 54.20 2pdi s LYS 262 Cb -0.49 -3.27 0.05 0.00 -1.05 0.00 0.00 37.83 33.07 2pdi s LYS 262 CO 0.50 0.57 0.51 0.45 1.55 0.00 0.00 175.35 178.94 2pdi s SER 263 N -0.67 -0.45 0.00 1.43 0.15 -1.26 -4.91 113.70 107.99 2pdi s SER 263 Ca 0.23 0.38 0.06 0.00 0.70 0.00 0.00 55.95 57.33 2pdi s SER 263 Cb -0.16 0.45 0.15 0.00 -1.71 0.00 0.00 66.02 64.75 2pdi s SER 263 CO 0.12 -0.57 1.05 1.33 1.20 0.00 0.00 173.24 176.37 2pdi n VAL 264 N 0.94 0.77 -3.26 4.45 0.24 -1.26 -4.90 118.33 115.32 2pdi n VAL 264 Ca -0.20 -0.88 -0.42 0.00 -2.04 0.00 0.00 64.34 60.80 2pdi n VAL 264 Cb 0.57 0.65 -0.08 0.00 -1.47 0.00 0.00 33.84 33.51 2pdi n VAL 264 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2pdi s THR 265 N -0.90 5.03 0.33 3.34 2.01 -1.26 -4.79 115.64 119.39 2pdi s THR 265 Ca 0.12 0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.36 2pdi s THR 265 Cb 0.07 -3.98 0.31 0.00 0.01 0.00 0.00 72.50 68.91 2pdi s THR 265 CO 0.09 -0.27 1.83 -0.65 -0.69 0.00 0.00 174.62 174.92 2pdi h PRO 266 N 8.55 0.74 -0.33 4.92 0.11 -1.96 -0.26 132.00 143.77 2pdi h PRO 266 Ca -0.28 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.68 2pdi h PRO 266 Cb 1.12 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2pdi h PRO 266 CO 0.78 0.49 -0.24 0.93 -0.21 0.00 0.00 178.00 179.75 2pdi h GLU 267 N 0.77 0.65 -0.02 1.05 3.07 -2.00 -2.17 114.58 115.93 2pdi h GLU 267 Ca 0.51 -0.26 -0.23 0.00 -0.50 0.00 0.00 59.36 58.88 2pdi h GLU 267 Cb 0.77 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.66 2pdi h GLU 267 CO -0.28 0.83 -0.94 0.00 -1.40 0.00 0.00 179.01 177.23 2pdi h ARG 268 N 0.57 0.53 -0.43 2.33 3.08 -1.56 -1.16 114.38 117.73 2pdi h ARG 268 Ca 0.08 -0.54 0.05 0.00 0.07 0.00 0.00 59.98 59.64 2pdi h ARG 268 Cb 0.71 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.86 2pdi h ARG 268 CO 0.05 1.17 0.15 0.82 -1.07 0.00 0.00 179.97 181.09 2pdi h ILE 269 N 0.31 0.86 -0.37 2.04 2.04 -0.96 0.18 117.51 121.61 2pdi h ILE 269 Ca -0.09 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 2pdi h ILE 269 Cb 1.57 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2pdi h ILE 269 CO 0.17 0.06 -0.28 0.00 0.00 0.00 0.00 178.15 178.09 2pdi h ALA 270 N 1.28 0.54 -0.66 1.87 0.00 -1.38 -3.14 119.26 117.78 2pdi h ALA 270 Ca 0.20 -0.41 0.10 0.00 0.00 0.00 0.00 54.91 54.80 2pdi h ALA 270 Cb 0.19 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 2pdi h ALA 270 CO -0.20 0.56 0.28 1.49 0.00 0.00 0.00 179.25 181.38 2pdi h GLU 271 N 0.66 0.47 0.00 0.00 4.81 -0.83 -2.52 114.58 117.17 2pdi h GLU 271 Ca 0.07 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2pdi h GLU 271 Cb 0.86 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 2pdi h GLU 271 CO 0.08 0.31 -0.15 -0.91 -0.73 0.00 0.00 179.01 177.61 2pdi h ASN 272 N 0.48 0.00 1.37 1.04 2.35 -0.62 -1.93 115.58 118.26 2pdi h ASN 272 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2pdi h ASN 272 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2pdi h ASN 272 CO -0.30 0.15 -0.27 0.15 -1.65 0.00 0.00 177.43 175.50 2pdi h PHE 273 N 0.00 0.00 -1.17 1.19 3.57 -1.41 -3.40 116.94 115.72 2pdi h PHE 273 Ca -0.00 0.00 -0.74 0.00 3.53 0.00 0.00 57.97 60.75 2pdi h PHE 273 Cb 0.40 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.02 2pdi h PHE 273 CO 0.00 0.00 2.35 1.63 -2.23 0.00 0.00 178.31 180.06 2pdi n LYS 274 N -2.43 4.19 -0.20 1.11 5.02 -0.73 -4.35 118.16 120.77 2pdi n LYS 274 Ca 0.04 -3.42 0.03 0.00 -2.02 0.00 0.00 58.31 52.94 2pdi n LYS 274 Cb 0.47 -2.75 0.04 0.00 -0.02 0.00 0.00 35.03 32.76 2pdi n LYS 274 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2pdi n VAL 275 N 2.42 0.67 0.28 -0.18 0.24 -1.26 -4.74 118.33 115.76 2pdi n VAL 275 Ca 0.55 -0.78 0.09 0.00 -2.04 0.00 0.00 64.34 62.16 2pdi n VAL 275 Cb 0.29 0.40 0.15 0.00 -1.47 0.00 0.00 33.84 33.21 2pdi n VAL 275 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2pdi n PHE 276 N -0.47 0.33 -0.61 6.34 3.72 -1.26 -4.51 117.46 120.99 2pdi n PHE 276 Ca 0.04 -0.22 0.06 0.00 -0.05 0.00 0.00 57.45 57.28 2pdi n PHE 276 Cb 0.57 -0.01 0.10 0.00 -0.94 0.00 0.00 39.48 39.21 2pdi n PHE 276 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2pdi n ASP 277 N 1.03 2.43 -3.68 4.37 5.75 -1.26 -4.98 116.55 120.21 2pdi n ASP 277 Ca 0.14 -2.61 -0.11 0.00 -0.01 0.00 0.00 54.79 52.20 2pdi n ASP 277 Cb 0.48 -0.27 -0.06 0.00 -1.03 0.00 0.00 41.12 40.24 2pdi n ASP 277 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 2pdi s PHE 278 N -2.05 -0.15 -0.05 2.11 -0.71 -1.26 -5.17 117.98 110.69 2pdi s PHE 278 Ca 0.21 -0.12 0.02 0.00 -1.04 0.00 0.00 56.93 56.00 2pdi s PHE 278 Cb 0.17 0.19 0.01 0.00 -1.21 0.00 0.00 43.02 42.18 2pdi s PHE 278 CO 0.04 -0.64 -0.11 -2.00 -1.34 0.00 0.00 175.22 171.17 2pdi s GLU 279 N -3.47 1.37 0.27 1.99 2.12 -1.26 -5.07 118.70 114.65 2pdi s GLU 279 Ca 0.01 -0.35 -0.29 0.00 0.36 0.00 0.00 54.97 54.70 2pdi s GLU 279 Cb 0.02 -1.19 -0.09 0.00 0.26 0.00 0.00 34.13 33.12 2pdi s GLU 279 CO -0.09 0.05 0.98 -0.51 -0.54 0.00 0.00 175.26 175.15 2pdi s LEU 280 N 0.52 4.57 0.90 2.70 1.43 -1.26 -5.06 118.68 122.47 2pdi s LEU 280 Ca -0.10 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 54.88 2pdi s LEU 280 Cb -0.13 -3.69 0.13 0.00 0.03 0.00 0.00 46.19 42.53 2pdi s LEU 280 CO 0.02 0.04 1.12 -0.94 0.23 0.00 0.00 176.35 176.82 2pdi s SER 281 N -1.19 3.58 0.20 2.29 1.04 -1.26 -4.83 113.70 113.53 2pdi s SER 281 Ca 0.44 1.10 -0.10 0.00 0.48 0.00 0.00 55.95 57.87 2pdi s SER 281 Cb -0.26 -1.73 0.21 0.00 0.10 0.00 0.00 66.02 64.33 2pdi s SER 281 CO 0.33 -2.52 1.82 -1.28 0.98 0.00 0.00 173.24 172.56 2pdi h SER 282 N -1.47 0.57 -0.36 7.02 0.87 -1.99 -0.69 113.55 117.50 2pdi h SER 282 Ca -0.50 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.09 2pdi h SER 282 Cb 1.32 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.15 2pdi h SER 282 CO 0.60 0.38 0.21 -0.61 -0.53 0.00 0.00 176.83 176.88 2pdi h GLN 283 N 0.71 0.41 -0.67 2.24 4.15 -1.98 0.17 115.11 120.13 2pdi h GLN 283 Ca 0.28 -0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.76 2pdi h GLN 283 Cb 0.13 -0.09 -0.07 0.00 0.21 0.00 0.00 27.48 27.66 2pdi h GLN 283 CO -0.15 0.27 0.32 -0.44 -1.93 0.00 0.00 178.83 176.90 2pdi h ASP 284 N 0.42 0.41 -0.23 -0.69 3.32 -1.80 0.55 116.42 118.41 2pdi h ASP 284 Ca 0.14 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 2pdi h ASP 284 Cb 0.01 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2pdi h ASP 284 CO -0.07 0.24 -0.03 0.24 -1.72 0.00 0.00 179.24 177.90 2pdi h MET 285 N 0.56 0.42 -0.23 3.56 2.86 -0.39 0.87 114.93 122.59 2pdi h MET 285 Ca 0.33 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.72 2pdi h MET 285 Cb 0.34 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2pdi h MET 285 CO -0.26 0.63 -0.31 1.15 1.06 0.00 0.00 176.91 179.17 2pdi h THR 286 N 0.17 1.28 -0.41 2.22 2.02 -0.55 -1.06 112.91 116.59 2pdi h THR 286 Ca 0.06 -1.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.84 2pdi h THR 286 Cb 0.46 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 2pdi h THR 286 CO 0.02 0.43 0.18 0.74 0.37 0.00 0.00 175.52 177.26 2pdi h THR 287 N 0.40 1.18 -0.47 3.16 2.02 -0.62 -1.46 112.91 117.13 2pdi h THR 287 Ca 0.05 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.62 2pdi h THR 287 Cb 0.75 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 2pdi h THR 287 CO 0.06 0.20 -0.01 -0.07 0.37 0.00 0.00 175.52 176.07 2pdi h LEU 288 N 0.51 0.75 -1.63 2.58 3.38 -0.47 -1.73 115.31 118.70 2pdi h LEU 288 Ca 0.14 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2pdi h LEU 288 Cb 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2pdi h LEU 288 CO -0.02 0.83 -0.20 -0.07 0.09 0.00 0.00 178.44 179.08 2pdi h LEU 289 N 0.73 0.00 -0.05 1.67 3.38 -0.92 -2.09 115.31 118.03 2pdi h LEU 289 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2pdi h LEU 289 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2pdi h LEU 289 CO 0.02 0.20 0.00 -1.54 0.09 0.00 0.00 178.44 177.21 2pdi n SER 290 N -4.17 0.05 -0.11 -0.43 3.41 -0.57 -2.47 113.62 109.31 2pdi n SER 290 Ca -0.02 0.51 0.16 0.00 -0.26 0.00 0.00 58.87 59.25 2pdi n SER 290 Cb 0.27 -0.52 0.85 0.00 -0.26 0.00 0.00 64.21 64.54 2pdi n SER 290 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2pdi n TYR 291 N -1.55 0.00 -1.65 7.33 4.01 -0.78 -4.92 117.16 119.59 2pdi n TYR 291 Ca 0.03 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.31 2pdi n TYR 291 Cb 0.16 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 2pdi n TYR 291 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2pdi n ASN 292 N -0.72 2.53 -0.42 7.72 5.15 -0.28 -4.16 115.26 125.09 2pdi n ASN 292 Ca 0.23 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 55.34 2pdi n ASN 292 Cb 0.17 -1.39 0.00 0.00 -0.53 0.00 0.00 39.78 38.03 2pdi n ASN 292 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2pdi n ARG 293 N 2.13 0.01 -3.84 1.20 1.85 -0.24 -4.96 116.66 112.82 2pdi n ARG 293 Ca 0.13 -0.93 -0.27 0.00 -1.00 0.00 0.00 57.85 55.78 2pdi n ARG 293 Cb 0.30 -0.51 0.03 0.00 -1.05 0.00 0.00 32.46 31.23 2pdi n ARG 293 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2pdi n ASN 294 N -0.01 -3.41 -4.68 2.89 3.02 -0.21 -4.96 115.26 107.91 2pdi n ASN 294 Ca 0.00 -0.80 -0.37 0.00 -0.03 0.00 0.00 54.58 53.38 2pdi n ASN 294 Cb 0.67 -3.92 -0.08 0.00 -0.61 0.00 0.00 39.78 35.83 2pdi n ASN 294 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2pdi s TRP 295 N -3.45 3.37 -0.18 3.10 -0.00 -0.73 -5.00 118.94 116.04 2pdi s TRP 295 Ca 0.41 0.47 -0.03 0.00 -0.00 0.00 0.00 56.10 56.96 2pdi s TRP 295 Cb -0.21 -2.41 -0.01 0.00 -0.00 0.00 0.00 33.47 30.85 2pdi s TRP 295 CO 0.83 0.06 -0.07 1.03 -0.00 0.00 0.00 176.95 178.79 2pdi s ARG 296 N 1.09 3.42 0.14 5.86 0.52 -1.26 -4.41 118.95 124.31 2pdi s ARG 296 Ca 0.15 -0.63 -0.14 0.00 -0.52 0.00 0.00 55.73 54.59 2pdi s ARG 296 Cb -0.14 -2.88 0.01 0.00 0.52 0.00 0.00 34.95 32.47 2pdi s ARG 296 CO 0.06 -0.01 1.64 0.28 0.02 0.00 0.00 175.30 177.29 2pdi h VAL 297 N 5.53 1.24 -3.74 3.52 2.07 -1.98 -3.42 116.25 119.48 2pdi h VAL 297 Ca -0.35 -0.85 -0.66 0.00 0.82 0.00 0.00 66.70 65.65 2pdi h VAL 297 Cb 1.18 0.91 -0.39 0.00 -1.52 0.00 0.00 31.29 31.47 2pdi h VAL 297 CO 0.59 0.30 -0.74 0.00 0.02 0.00 0.00 177.57 177.74 2pdi n ALA 299 N 4.31 -2.13 -1.67 0.00 0.00 -1.26 -5.07 120.51 114.68 2pdi n ALA 299 Ca -0.01 -1.03 -0.47 0.00 0.00 0.00 0.00 53.44 51.93 2pdi n ALA 299 Cb 0.42 -1.95 -0.04 0.00 0.00 0.00 0.00 19.45 17.88 2pdi n ALA 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pdi n ALA 300 N 1.70 1.07 0.14 0.00 0.00 -1.26 -4.88 120.51 117.27 2pdi n ALA 300 Ca 0.07 0.36 0.08 0.00 0.00 0.00 0.00 53.44 53.96 2pdi n ALA 300 Cb 0.65 -2.42 0.57 0.00 0.00 0.00 0.00 19.45 18.25 2pdi n ALA 300 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2pdi h LEU 301 N 7.57 0.17 -1.75 0.00 5.85 -2.00 -1.60 115.31 123.55 2pdi h LEU 301 Ca -0.47 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2pdi h LEU 301 Cb 1.26 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2pdi h LEU 301 CO 0.92 0.12 0.00 0.77 -0.34 0.00 0.00 178.44 179.91 2pdi h SER 302 N 0.20 0.00 -0.02 1.25 4.64 -1.90 -2.79 113.55 114.93 2pdi h SER 302 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2pdi h SER 302 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2pdi h SER 302 CO -0.02 0.00 -0.27 0.00 -0.87 0.00 0.00 176.83 175.68 2pdi n THR 304 N 0.59 0.91 1.02 0.00 -2.24 -1.05 -1.87 114.28 111.64 2pdi n THR 304 Ca 0.11 0.27 0.12 0.00 -2.27 0.00 0.00 64.05 62.28 2pdi n THR 304 Cb 0.53 -1.17 0.10 0.00 -2.10 0.00 0.00 70.33 67.70 2pdi n THR 304 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2pdi n SER 305 N -2.05 2.78 -4.77 3.42 7.64 -1.26 -4.89 113.62 114.48 2pdi n SER 305 Ca 0.02 -1.90 -0.41 0.00 1.01 0.00 0.00 58.87 57.60 2pdi n SER 305 Cb 0.20 0.07 0.01 0.00 -1.01 0.00 0.00 64.21 63.48 2pdi n SER 305 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2pdi s HIS 306 N -2.08 2.51 0.42 1.43 5.04 -0.78 -4.87 115.29 116.96 2pdi s HIS 306 Ca 0.27 1.20 0.13 0.00 -1.54 0.00 0.00 55.06 55.12 2pdi s HIS 306 Cb 0.20 -4.00 0.99 0.00 0.04 0.00 0.00 32.58 29.81 2pdi s HIS 306 CO 0.35 -3.03 1.95 1.57 -2.34 0.00 0.00 174.74 173.23 2pdi h LYS 307 N 2.70 0.45 -0.67 2.88 2.10 -1.93 -0.59 116.57 121.53 2pdi h LYS 307 Ca -0.51 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 2pdi h LYS 307 Cb 1.25 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2pdi h LYS 307 CO 0.63 0.30 0.00 -0.25 -2.00 0.00 0.00 179.45 178.13 2pdi n ASP 308 N -4.48 4.31 -4.67 7.07 8.00 -1.26 -4.98 116.55 120.53 2pdi n ASP 308 Ca 0.12 -2.24 -0.47 0.00 0.71 0.00 0.00 54.79 52.91 2pdi n ASP 308 Cb 0.42 -0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.96 2pdi n ASP 308 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pdi n TYR 309 N 1.29 2.29 0.89 1.24 9.36 -0.23 -4.50 117.16 127.50 2pdi n TYR 309 Ca 0.24 0.16 0.13 0.00 3.32 0.00 0.00 57.90 61.75 2pdi n TYR 309 Cb 0.75 -2.59 0.42 0.00 -0.63 0.00 0.00 39.34 37.29 2pdi n TYR 309 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2pdi n PRO 310 N 4.72 0.08 -0.46 2.98 -0.04 -1.26 -4.38 135.00 136.63 2pdi n PRO 310 Ca 0.19 0.04 0.06 0.00 -0.04 0.00 0.00 63.50 63.76 2pdi n PRO 310 Cb 0.29 -1.57 0.23 0.00 -0.04 0.00 0.00 33.50 32.41 2pdi n PRO 310 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2pdi n PHE 311 N -1.70 0.85 -0.02 0.54 3.72 -1.26 -4.34 117.46 115.26 2pdi n PHE 311 Ca 0.06 -1.03 -0.02 0.00 -0.05 0.00 0.00 57.45 56.41 2pdi n PHE 311 Cb 0.37 -0.33 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 2pdi n PHE 311 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2pdi h HIS 312 N 1.42 -0.07 -1.17 1.38 3.86 -1.98 -3.46 115.15 115.12 2pdi h HIS 312 Ca 0.04 -0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.59 2pdi h HIS 312 Cb 1.43 0.02 0.12 0.00 1.06 0.00 0.00 27.41 30.04 2pdi h HIS 312 CO 0.53 0.03 -0.61 -1.91 0.86 0.00 0.00 177.93 176.83 2pdi n GLU 313 N -4.82 0.02 -0.28 2.45 2.13 -1.26 -4.89 120.64 113.99 2pdi n GLU 313 Ca -0.02 0.01 -0.01 0.00 0.66 0.00 0.00 57.16 57.80 2pdi n GLU 313 Cb 0.07 -1.01 0.17 0.00 0.27 0.00 0.00 31.44 30.93 2pdi n GLU 313 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2pdi h GLU 314 N 0.87 1.13 0.00 5.31 4.81 -1.91 -3.51 114.58 121.28 2pdi h GLU 314 Ca -0.30 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2pdi h GLU 314 Cb 1.44 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2pdi h GLU 314 CO 0.55 0.79 0.00 1.97 -0.73 0.00 0.00 179.01 181.59