#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pur n PHE 2 N 0.00 0.00 -4.20 1.12 3.72 -1.26 -4.87 117.46 111.97 2pur n PHE 2 Ca 0.00 -0.54 -0.13 0.00 -0.05 0.00 0.00 57.45 56.72 2pur n PHE 2 Cb 0.00 -0.14 -0.09 0.00 -0.94 0.00 0.00 39.48 38.31 2pur n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2pur s THR 3 N -0.57 0.00 0.00 4.37 -4.23 -1.26 -4.86 115.64 109.09 2pur s THR 3 Ca 0.27 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 2pur s THR 3 Cb 0.29 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.65 2pur s THR 3 CO -0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 2pur n GLY 4 N -0.36 -0.60 3.55 3.99 0.00 -0.63 -4.68 105.19 106.46 2pur n GLY 4 Ca 0.03 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 2pur n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pur s SER 5 N -4.00 6.46 -0.17 1.61 0.15 -1.26 -1.92 113.70 114.57 2pur s SER 5 Ca 0.00 0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.64 2pur s SER 5 Cb 0.00 -2.41 -0.02 0.00 -1.71 0.00 0.00 66.02 61.88 2pur s SER 5 CO 0.00 -0.95 -0.05 -0.63 1.20 0.00 0.00 173.24 172.81 2pur s ILE 6 N 3.45 3.70 -0.12 6.45 1.01 -0.22 -0.00 121.20 135.46 2pur s ILE 6 Ca 0.33 -0.42 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 2pur s ILE 6 Cb -0.11 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 2pur s ILE 6 CO 0.24 0.48 0.44 0.54 0.00 0.00 0.00 174.94 176.63 2pur s VAL 7 N 0.63 5.21 -1.03 2.92 0.11 -0.71 -0.26 120.40 127.27 2pur s VAL 7 Ca -0.03 0.87 -0.20 0.00 -2.93 0.00 0.00 61.98 59.69 2pur s VAL 7 Cb -0.15 -3.78 0.10 0.00 -1.53 0.00 0.00 36.38 31.03 2pur s VAL 7 CO 0.02 0.35 1.34 0.00 -3.33 0.00 0.00 175.10 173.48 2pur s ALA 8 N 0.53 3.21 0.25 1.54 0.00 -0.29 0.17 121.76 127.17 2pur s ALA 8 Ca 0.24 -2.68 -0.30 0.00 0.00 0.00 0.00 51.96 49.22 2pur s ALA 8 Cb -0.15 -4.29 -0.09 0.00 0.00 0.00 0.00 23.12 18.60 2pur s ALA 8 CO 0.09 -3.21 1.12 -1.50 0.00 0.00 0.00 175.76 172.26 2pur s ILE 9 N 3.50 3.53 0.74 0.00 2.07 -0.83 -4.66 121.20 125.55 2pur s ILE 9 Ca 0.41 1.46 -0.15 0.00 -1.41 0.00 0.00 60.65 60.95 2pur s ILE 9 Cb -0.02 -3.93 0.04 0.00 0.13 0.00 0.00 42.46 38.68 2pur s ILE 9 CO -0.07 0.31 1.24 0.68 -1.91 0.00 0.00 174.94 175.20 2pur s VAL 10 N -0.83 2.04 -0.64 4.00 -7.23 -1.26 -3.48 120.40 112.99 2pur s VAL 10 Ca 0.47 0.02 -0.18 0.00 -1.81 0.00 0.00 61.98 60.48 2pur s VAL 10 Cb -0.32 -2.68 0.12 0.00 0.56 0.00 0.00 36.38 34.06 2pur s VAL 10 CO 0.40 -0.01 0.74 -0.89 -0.31 0.00 0.00 175.10 175.03 2pur s THR 11 N -1.82 4.90 0.38 5.32 2.01 -1.26 -4.88 115.64 120.29 2pur s THR 11 Ca 0.77 -1.21 -0.26 0.00 0.31 0.00 0.00 61.69 61.30 2pur s THR 11 Cb -0.33 -4.51 -0.09 0.00 0.01 0.00 0.00 72.50 67.59 2pur s THR 11 CO 0.46 -1.14 1.19 -2.16 -0.69 0.00 0.00 174.62 172.27 2pur s PRO 12 N 2.40 4.13 0.12 4.92 0.04 -1.26 -4.93 135.00 140.41 2pur s PRO 12 Ca 0.14 1.90 0.07 0.00 0.04 0.00 0.00 61.00 63.15 2pur s PRO 12 Cb -0.21 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 2pur s PRO 12 CO 0.03 -0.27 -0.18 -1.64 0.04 0.00 0.00 177.00 174.98 2pur s MET 13 N -2.17 1.08 0.88 4.56 -1.94 -1.26 -0.59 119.30 119.87 2pur s MET 13 Ca 0.55 -1.20 -0.15 0.00 -1.71 0.00 0.00 55.69 53.18 2pur s MET 13 Cb -0.32 -1.17 0.21 0.00 2.01 0.00 0.00 34.83 35.56 2pur s MET 13 CO 0.41 0.25 1.04 -0.40 -0.01 0.00 0.00 175.02 176.31 2pur n ASP 14 N 0.82 -0.59 0.29 3.03 5.75 0.18 -4.27 116.55 121.77 2pur n ASP 14 Ca -0.17 -1.28 0.16 0.00 -0.01 0.00 0.00 54.79 53.49 2pur n ASP 14 Cb 0.55 -0.84 0.91 0.00 -1.03 0.00 0.00 41.12 40.71 2pur n ASP 14 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2pur h GLU 15 N 0.00 0.00 -0.00 0.11 5.08 -1.97 -1.95 114.58 115.85 2pur h GLU 15 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2pur h GLU 15 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2pur h GLU 15 CO 0.24 0.04 -0.10 1.63 -1.00 0.00 0.00 179.01 179.82 2pur n LYS 16 N -3.52 0.31 -0.61 2.33 5.02 -1.26 -4.93 118.16 115.50 2pur n LYS 16 Ca -0.02 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2pur n LYS 16 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2pur n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pur n GLY 17 N 1.38 0.64 3.77 0.72 0.00 -0.73 -5.08 105.19 105.89 2pur n GLY 17 Ca 0.11 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 2pur n GLY 17 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pur s ASN 18 N -2.44 5.31 0.27 1.61 0.01 -1.26 -4.87 114.94 113.57 2pur s ASN 18 Ca 0.00 -0.28 -0.31 0.00 -0.71 0.00 0.00 52.86 51.57 2pur s ASN 18 Cb 0.00 -1.30 -0.12 0.00 0.41 0.00 0.00 41.25 40.24 2pur s ASN 18 CO 0.00 0.02 1.64 0.55 -1.51 0.00 0.00 177.10 177.80 2pur n VAL 19 N -0.74 0.74 -3.40 1.60 3.14 -1.26 -0.64 118.33 117.77 2pur n VAL 19 Ca -0.08 -0.19 -0.43 0.00 -2.96 0.00 0.00 64.34 60.68 2pur n VAL 19 Cb 0.57 -2.00 -0.09 0.00 -1.06 0.00 0.00 33.84 31.26 2pur n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2pur h ARG 21 N 8.68 0.81 -0.55 0.00 2.43 -1.92 -1.08 114.38 122.76 2pur h ARG 21 Ca -0.27 -0.27 0.04 0.00 -0.81 0.00 0.00 59.98 58.68 2pur h ARG 21 Cb 1.12 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 2pur h ARG 21 CO 0.77 0.88 0.29 0.00 -1.51 0.00 0.00 179.97 180.40 2pur h ALA 22 N 0.90 0.71 -0.39 2.80 0.00 -1.99 0.73 119.26 122.02 2pur h ALA 22 Ca 0.13 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2pur h ALA 22 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2pur h ALA 22 CO 0.03 -0.04 -0.01 0.77 0.00 0.00 0.00 179.25 180.00 2pur h SER 23 N 0.56 0.68 -0.56 0.00 0.02 -1.82 -2.09 113.55 110.35 2pur h SER 23 Ca 0.24 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2pur h SER 23 Cb 0.12 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 2pur h SER 23 CO -0.15 0.83 0.37 0.25 -1.14 0.00 0.00 176.83 176.99 2pur h LEU 24 N 0.52 0.63 -0.70 5.07 5.85 -0.62 -0.75 115.31 125.32 2pur h LEU 24 Ca 0.11 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.85 2pur h LEU 24 Cb 0.49 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2pur h LEU 24 CO 0.02 0.46 0.42 0.50 -0.34 0.00 0.00 178.44 179.50 2pur h LYS 25 N 0.75 0.79 -0.25 1.25 3.64 -0.81 -0.19 116.57 121.75 2pur h LYS 25 Ca 0.21 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2pur h LYS 25 Cb -0.08 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 2pur h LYS 25 CO -0.05 0.52 0.11 -0.22 -2.27 0.00 0.00 179.45 177.53 2pur h LYS 26 N 0.81 0.37 -0.21 1.90 3.64 -0.87 -0.57 116.57 121.64 2pur h LYS 26 Ca 0.29 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 2pur h LYS 26 Cb 0.08 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 2pur h LYS 26 CO -0.13 0.40 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.32 2pur h LEU 27 N 0.26 -0.20 -0.55 5.20 3.38 -0.81 -1.23 115.31 121.36 2pur h LEU 27 Ca 0.08 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 2pur h LEU 27 Cb 0.16 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2pur h LEU 27 CO -0.01 -0.07 0.08 0.40 0.09 0.00 0.00 178.44 178.93 2pur h ILE 28 N -0.01 1.25 -0.81 1.22 2.04 -0.84 -0.57 117.51 119.80 2pur h ILE 28 Ca 0.10 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 65.03 2pur h ILE 28 Cb 0.16 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 2pur h ILE 28 CO -0.22 0.35 0.51 0.44 0.00 0.00 0.00 178.15 179.23 2pur h ASP 29 N 0.80 0.82 -0.53 1.72 3.32 -0.95 -0.78 116.42 120.83 2pur h ASP 29 Ca 0.17 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.26 2pur h ASP 29 Cb 0.42 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 2pur h ASP 29 CO 0.01 0.55 0.29 0.22 -1.72 0.00 0.00 179.24 178.60 2pur h TYR 30 N 0.97 0.54 -0.34 4.55 3.20 -0.61 0.24 116.97 125.52 2pur h TYR 30 Ca 0.33 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.11 2pur h TYR 30 Cb 0.07 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 2pur h TYR 30 CO -0.03 0.28 -0.27 0.45 -1.64 0.00 0.00 178.16 176.95 2pur h HIS 31 N 0.57 0.81 -0.20 -3.82 3.86 -0.64 -0.57 115.15 115.16 2pur h HIS 31 Ca 0.23 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2pur h HIS 31 Cb 0.10 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 2pur h HIS 31 CO -0.08 0.90 0.07 0.28 0.86 0.00 0.00 177.93 179.96 2pur h VAL 32 N 0.61 1.18 -0.02 2.45 2.07 -0.90 -2.25 116.25 119.38 2pur h VAL 32 Ca 0.08 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 2pur h VAL 32 Cb 0.78 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2pur h VAL 32 CO 0.06 0.17 -0.11 0.00 0.02 0.00 0.00 177.57 177.71 2pur h ALA 33 N 0.91 1.77 0.00 1.67 0.00 -0.81 -3.01 119.26 119.79 2pur h ALA 33 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2pur h ALA 33 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2pur h ALA 33 CO -0.00 0.17 -0.52 0.43 0.00 0.00 0.00 179.25 179.33 2pur n SER 34 N -4.39 0.55 0.00 0.00 7.64 -0.23 -4.94 113.62 112.25 2pur n SER 34 Ca -0.02 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2pur n SER 34 Cb 0.20 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2pur n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pur n GLY 35 N 1.42 0.52 3.66 0.23 0.00 -0.98 -4.31 105.19 105.73 2pur n GLY 35 Ca 0.05 -0.47 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 2pur n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pur n THR 36 N -2.86 1.32 0.04 2.61 -1.04 -0.89 -4.87 114.28 108.60 2pur n THR 36 Ca 0.00 -0.33 -0.15 0.00 -2.04 0.00 0.00 64.05 61.53 2pur n THR 36 Cb 0.00 -1.38 -0.05 0.00 -1.82 0.00 0.00 70.33 67.08 2pur n THR 36 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2pur h SER 37 N 3.46 0.69 -5.09 8.00 0.02 -0.73 -3.46 113.55 116.44 2pur h SER 37 Ca -0.44 -0.52 0.10 0.00 -0.84 0.00 0.00 61.79 60.09 2pur h SER 37 Cb 1.29 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.55 2pur h SER 37 CO 0.70 1.31 0.33 0.00 -1.14 0.00 0.00 176.83 178.03 2pur s ALA 38 N -3.41 -1.45 -0.13 3.77 0.00 -1.24 -4.00 121.76 115.30 2pur s ALA 38 Ca -0.07 0.01 0.03 0.00 0.00 0.00 0.00 51.96 51.92 2pur s ALA 38 Cb 0.09 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.97 2pur s ALA 38 CO 0.88 -0.99 -0.22 0.42 0.00 0.00 0.00 175.76 175.85 2pur s ILE 39 N -3.63 2.03 -0.27 0.00 1.01 -0.30 -1.73 121.20 118.32 2pur s ILE 39 Ca 0.10 -0.97 -0.20 0.00 0.00 0.00 0.00 60.65 59.58 2pur s ILE 39 Cb -0.04 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 2pur s ILE 39 CO 0.02 0.55 0.60 -0.69 0.00 0.00 0.00 174.94 175.42 2pur s VAL 40 N 0.74 4.99 -0.22 2.92 1.01 0.13 -0.22 120.40 129.74 2pur s VAL 40 Ca -0.09 1.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.81 2pur s VAL 40 Cb -0.16 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 2pur s VAL 40 CO -0.00 0.01 0.13 -0.55 0.00 0.00 0.00 175.10 174.69 2pur s SER 41 N 1.52 5.96 -1.29 3.32 0.15 0.96 -1.95 113.70 122.37 2pur s SER 41 Ca 0.25 0.10 -0.02 0.00 0.70 0.00 0.00 55.95 56.98 2pur s SER 41 Cb -0.15 -2.06 0.01 0.00 -1.71 0.00 0.00 66.02 62.10 2pur s SER 41 CO 0.09 0.09 0.88 0.52 1.20 0.00 0.00 173.24 176.02 2pur n VAL 42 N 4.09 -4.77 -0.11 4.45 0.31 -1.26 -0.40 118.33 120.63 2pur n VAL 42 Ca -0.16 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 2pur n VAL 42 Cb 0.52 -4.21 0.00 0.00 -0.91 0.00 0.00 33.84 29.24 2pur n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pur n GLY 43 N -1.44 -0.51 0.10 2.92 0.00 -1.26 -3.97 105.19 101.02 2pur n GLY 43 Ca -0.25 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 2pur n GLY 43 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2pur h SER 44 N 0.00 0.16 0.24 1.61 0.02 -1.96 -1.94 113.55 111.68 2pur h SER 44 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2pur h SER 44 Cb 0.00 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 2pur h SER 44 CO 0.00 0.12 -0.10 0.74 -1.14 0.00 0.00 176.83 176.45 2pur h THR 45 N 0.21 0.67 -0.24 -2.27 2.02 -1.88 -1.51 112.91 109.91 2pur h THR 45 Ca 0.07 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2pur h THR 45 Cb 0.00 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2pur h THR 45 CO -0.04 0.10 0.00 0.61 0.37 0.00 0.00 175.52 176.56 2pur n GLY 46 N -0.91 0.43 3.17 2.16 0.00 -0.76 -4.30 105.19 104.98 2pur n GLY 46 Ca -0.02 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 2pur n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pur n GLU 47 N 0.23 -6.08 -0.37 1.61 1.02 -0.57 -4.21 120.64 112.26 2pur n GLU 47 Ca 0.09 0.75 0.30 0.00 -0.02 0.00 0.00 57.16 58.27 2pur n GLU 47 Cb 0.26 -5.44 0.60 0.00 -0.02 0.00 0.00 31.44 26.84 2pur n GLU 47 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2pur h SER 48 N -1.99 0.30 -0.35 1.62 4.64 -1.65 -1.90 113.55 114.23 2pur h SER 48 Ca -0.49 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 60.90 2pur h SER 48 Cb 1.32 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.44 2pur h SER 48 CO 0.49 -0.02 0.16 0.00 -0.87 0.00 0.00 176.83 176.60 2pur h ALA 49 N 1.57 1.55 -0.15 5.18 0.00 -1.87 -3.25 119.26 122.29 2pur h ALA 49 Ca 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2pur h ALA 49 Cb 2.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2pur h ALA 49 CO -0.29 0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.57 2pur n THR 50 N -4.39 0.60 -3.79 0.00 -2.24 -0.74 -4.91 114.28 98.81 2pur n THR 50 Ca 0.03 -0.80 -0.37 0.00 -2.27 0.00 0.00 64.05 60.64 2pur n THR 50 Cb 0.14 0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 69.07 2pur n THR 50 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2pur s LEU 51 N -0.86 4.36 0.91 3.22 1.43 -1.06 -5.05 118.68 121.63 2pur s LEU 51 Ca 0.13 0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 53.60 2pur s LEU 51 Cb 0.08 -2.15 0.14 0.00 0.03 0.00 0.00 46.19 44.28 2pur s LEU 51 CO 0.10 0.34 1.14 0.54 0.23 0.00 0.00 176.35 178.70 2pur s ASN 52 N -0.70 3.52 0.35 2.29 2.20 -1.26 -4.74 114.94 116.59 2pur s ASN 52 Ca 0.15 0.96 0.06 0.00 -0.94 0.00 0.00 52.86 53.10 2pur s ASN 52 Cb -0.12 -1.54 0.65 0.00 -2.00 0.00 0.00 41.25 38.23 2pur s ASN 52 CO 0.04 -2.54 1.87 0.45 -2.94 0.00 0.00 177.10 173.97 2pur h HIS 53 N -1.49 0.41 -0.27 1.54 3.86 -1.99 0.68 115.15 117.89 2pur h HIS 53 Ca -0.50 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 58.63 2pur h HIS 53 Cb 1.33 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.67 2pur h HIS 53 CO 0.29 0.49 0.09 -0.44 0.86 0.00 0.00 177.93 179.22 2pur h ASP 54 N 0.37 0.39 -0.59 2.45 3.32 -1.99 -1.03 116.42 119.34 2pur h ASP 54 Ca 0.07 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 2pur h ASP 54 Cb 0.40 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2pur h ASP 54 CO 0.02 0.49 0.21 -0.33 -1.72 0.00 0.00 179.24 177.92 2pur h GLU 55 N 0.28 0.90 -0.05 3.56 5.08 -1.82 -0.84 114.58 121.69 2pur h GLU 55 Ca 0.09 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2pur h GLU 55 Cb 0.24 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 2pur h GLU 55 CO -0.00 0.79 -0.23 1.25 -1.00 0.00 0.00 179.01 179.81 2pur h HIS 56 N 0.83 -0.62 -0.85 4.33 2.76 -0.81 -1.36 115.15 119.44 2pur h HIS 56 Ca 0.19 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 2pur h HIS 56 Cb 0.24 0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.44 2pur h HIS 56 CO 0.01 -0.32 0.49 0.00 -1.30 0.00 0.00 177.93 176.81 2pur h ALA 57 N 0.56 1.08 -0.95 5.26 0.00 -0.96 -0.41 119.26 123.84 2pur h ALA 57 Ca 0.08 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2pur h ALA 57 Cb 0.44 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2pur h ALA 57 CO -0.24 0.57 0.63 -0.44 0.00 0.00 0.00 179.25 179.77 2pur h ASP 58 N 1.17 1.08 -0.18 0.00 3.32 -0.66 -0.62 116.42 120.53 2pur h ASP 58 Ca 0.30 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.27 2pur h ASP 58 Cb -0.01 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 2pur h ASP 58 CO -0.05 0.77 -0.13 0.58 -1.72 0.00 0.00 179.24 178.69 2pur h VAL 59 N 1.27 1.32 -0.52 -1.35 2.07 -0.55 -1.18 116.25 117.31 2pur h VAL 59 Ca 0.36 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.67 2pur h VAL 59 Cb -0.12 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2pur h VAL 59 CO -0.09 0.37 0.30 0.58 0.02 0.00 0.00 177.57 178.75 2pur h VAL 60 N 0.08 1.02 -0.36 2.57 2.07 -0.65 -0.33 116.25 120.65 2pur h VAL 60 Ca 0.03 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 2pur h VAL 60 Cb 0.64 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2pur h VAL 60 CO 0.03 0.11 -0.24 0.24 0.02 0.00 0.00 177.57 177.74 2pur h MET 61 N 0.59 0.71 -0.62 1.57 2.07 -1.07 -0.94 114.93 117.23 2pur h MET 61 Ca 0.22 -0.29 -0.07 0.00 -2.07 0.00 0.00 59.70 57.49 2pur h MET 61 Cb 0.06 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.73 2pur h MET 61 CO -0.12 0.88 0.13 1.98 1.07 0.00 0.00 176.91 180.85 2pur h MET 62 N 0.62 1.02 -0.55 1.72 -1.53 -0.95 -0.95 114.93 114.30 2pur h MET 62 Ca 0.09 -0.26 -0.06 0.00 -3.44 0.00 0.00 59.70 56.03 2pur h MET 62 Cb 0.73 -0.13 -0.02 0.00 -0.55 0.00 0.00 31.60 31.63 2pur h MET 62 CO 0.06 0.94 0.11 1.15 0.14 0.00 0.00 176.91 179.30 2pur h THR 63 N 0.93 1.25 -0.17 -0.77 2.02 -0.76 -0.83 112.91 114.59 2pur h THR 63 Ca 0.19 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 2pur h THR 63 Cb 0.40 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2pur h THR 63 CO 0.01 0.34 0.06 0.25 0.37 0.00 0.00 175.52 176.54 2pur h LEU 64 N 0.80 0.25 0.17 2.58 5.85 -1.05 0.75 115.31 124.65 2pur h LEU 64 Ca 0.17 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.71 2pur h LEU 64 Cb 0.38 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2pur h LEU 64 CO 0.01 0.38 -0.23 -0.78 -0.34 0.00 0.00 178.44 177.47 2pur h ASP 65 N 0.10 -0.64 -0.33 1.25 3.58 -1.01 -2.30 116.42 117.08 2pur h ASP 65 Ca 0.06 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 2pur h ASP 65 Cb 0.21 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 2pur h ASP 65 CO -0.00 -0.33 0.09 -0.07 -2.88 0.00 0.00 179.24 176.05 2pur h LEU 66 N -0.46 0.55 -1.21 2.28 3.38 -1.09 -1.71 115.31 117.04 2pur h LEU 66 Ca 0.01 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2pur h LEU 66 Cb 0.46 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2pur h LEU 66 CO -0.10 0.55 0.55 0.00 0.09 0.00 0.00 178.44 179.54 2pur h ALA 67 N 1.52 1.53 -6.29 1.53 0.00 -0.62 -3.47 119.26 113.47 2pur h ALA 67 Ca 0.13 -0.03 -0.47 0.00 0.00 0.00 0.00 54.91 54.54 2pur h ALA 67 Cb 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2pur h ALA 67 CO -0.00 0.36 -0.77 -3.47 0.00 0.00 0.00 179.25 175.37 2pur n ASP 68 N -4.47 -4.36 0.00 0.00 2.03 -0.64 -0.87 116.55 108.25 2pur n ASP 68 Ca 0.12 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.64 2pur n ASP 68 Cb 0.16 -3.87 0.00 0.00 -0.72 0.00 0.00 41.12 36.69 2pur n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pur n GLY 69 N -1.68 0.47 0.14 0.27 0.00 -1.26 -4.87 105.19 98.26 2pur n GLY 69 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2pur n GLY 69 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pur h ARG 70 N 1.27 0.00 -2.11 1.61 3.08 -1.38 -3.46 114.38 113.39 2pur h ARG 70 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2pur h ARG 70 Cb 0.18 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.01 2pur h ARG 70 CO 0.00 0.00 -0.02 -1.50 -1.07 0.00 0.00 179.97 177.38 2pur s ILE 71 N -3.22 -0.00 0.53 2.04 2.07 -1.26 -4.98 121.20 116.37 2pur s ILE 71 Ca 0.05 0.01 -0.20 0.00 -1.41 0.00 0.00 60.65 59.10 2pur s ILE 71 Cb 0.09 -0.93 -0.06 0.00 0.13 0.00 0.00 42.46 41.69 2pur s ILE 71 CO 0.70 0.01 1.16 -2.84 -1.91 0.00 0.00 174.94 172.05 2pur s PRO 72 N 1.37 3.41 -0.11 3.50 0.02 -1.26 -4.88 135.00 137.05 2pur s PRO 72 Ca -0.08 1.71 0.02 0.00 0.02 0.00 0.00 61.00 62.66 2pur s PRO 72 Cb -0.05 -2.11 0.01 0.00 0.02 0.00 0.00 34.50 32.37 2pur s PRO 72 CO -0.15 -0.82 -0.16 0.08 -0.33 0.00 0.00 177.00 175.61 2pur s VAL 73 N -1.67 1.57 -0.17 3.83 1.01 -1.26 -1.15 120.40 122.57 2pur s VAL 73 Ca 0.71 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 2pur s VAL 73 Cb -0.27 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 2pur s VAL 73 CO 0.31 0.46 -0.01 -0.63 0.00 0.00 0.00 175.10 175.22 2pur s ILE 74 N 0.98 4.12 -0.07 2.22 1.01 0.69 -1.40 121.20 128.76 2pur s ILE 74 Ca -0.06 -0.27 -0.20 0.00 0.00 0.00 0.00 60.65 60.12 2pur s ILE 74 Cb -0.15 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 2pur s ILE 74 CO -0.02 0.48 0.55 0.00 0.00 0.00 0.00 174.94 175.95 2pur s ALA 75 N 0.44 3.46 0.17 9.38 0.00 -0.52 -0.03 121.76 134.66 2pur s ALA 75 Ca -0.02 -0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.56 2pur s ALA 75 Cb -0.14 -2.72 -0.10 0.00 0.00 0.00 0.00 23.12 20.16 2pur s ALA 75 CO 0.02 0.04 1.56 0.20 0.00 0.00 0.00 175.76 177.58 2pur s GLY 76 N 0.38 1.61 -0.02 0.00 0.00 0.46 -1.21 107.32 108.55 2pur s GLY 76 Ca 0.29 1.36 0.03 0.00 0.00 0.00 0.00 44.72 46.41 2pur s GLY 76 CO 0.14 2.61 0.84 -1.30 0.00 0.00 0.00 173.10 175.39 2pur n THR 77 N 3.89 0.41 -2.11 0.90 -2.24 -0.10 -4.89 114.28 110.14 2pur n THR 77 Ca 0.13 -0.47 -0.38 0.00 -2.27 0.00 0.00 64.05 61.07 2pur n THR 77 Cb 0.39 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2pur n THR 77 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2pur s GLY 78 N -0.91 2.84 -0.05 3.38 0.00 -1.24 -4.68 107.32 106.67 2pur s GLY 78 Ca 0.05 1.09 -0.28 0.00 0.00 0.00 0.00 44.72 45.57 2pur s GLY 78 CO 0.00 1.59 0.63 0.00 0.00 0.00 0.00 173.10 175.32 2pur s ALA 79 N -1.42 -1.63 -1.44 3.20 0.00 -1.26 -4.86 121.76 114.35 2pur s ALA 79 Ca 0.63 1.20 0.27 0.00 0.00 0.00 0.00 51.96 54.07 2pur s ALA 79 Cb -0.33 -0.03 0.94 0.00 0.00 0.00 0.00 23.12 23.70 2pur s ALA 79 CO 0.41 -0.35 1.69 0.27 0.00 0.00 0.00 175.76 177.78 2pur n ASN 80 N 1.03 0.55 -4.52 0.00 6.94 -1.26 -4.45 115.26 113.55 2pur n ASN 80 Ca -0.19 -0.44 -0.35 0.00 -0.02 0.00 0.00 54.58 53.58 2pur n ASN 80 Cb 0.57 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.87 2pur n ASN 80 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2pur s ALA 81 N -2.67 3.14 0.22 -2.53 0.00 -1.26 -4.81 121.76 113.85 2pur s ALA 81 Ca 0.22 -0.88 -0.08 0.00 0.00 0.00 0.00 51.96 51.21 2pur s ALA 81 Cb 0.19 -1.78 0.19 0.00 0.00 0.00 0.00 23.12 21.73 2pur s ALA 81 CO 0.55 0.03 1.88 1.15 0.00 0.00 0.00 175.76 179.36 2pur h THR 82 N 5.17 1.23 -0.87 0.00 2.02 -1.96 -0.64 112.91 117.86 2pur h THR 82 Ca -0.35 -0.48 0.09 0.00 0.77 0.00 0.00 66.41 66.45 2pur h THR 82 Cb 1.18 0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 67.54 2pur h THR 82 CO 0.64 0.24 0.52 0.00 0.37 0.00 0.00 175.52 177.28 2pur h ALA 83 N 1.29 1.25 -0.33 6.16 0.00 -1.97 -0.58 119.26 125.07 2pur h ALA 83 Ca 0.31 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 2pur h ALA 83 Cb -0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2pur h ALA 83 CO -0.06 0.16 -0.42 0.93 0.00 0.00 0.00 179.25 179.86 2pur h GLU 84 N 0.87 0.87 -0.56 0.00 4.39 -1.69 -1.20 114.58 117.25 2pur h GLU 84 Ca 0.41 -0.49 0.04 0.00 0.34 0.00 0.00 59.36 59.66 2pur h GLU 84 Cb 0.35 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 2pur h GLU 84 CO -0.24 1.14 0.31 0.00 -1.16 0.00 0.00 179.01 179.06 2pur h ALA 85 N 0.72 0.73 -0.16 3.43 0.00 -0.76 -0.40 119.26 122.82 2pur h ALA 85 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2pur h ALA 85 Cb 1.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2pur h ALA 85 CO 0.10 -0.01 0.08 0.82 0.00 0.00 0.00 179.25 180.24 2pur h ILE 86 N 0.60 1.12 -0.67 0.00 2.04 -0.99 -1.20 117.51 118.42 2pur h ILE 86 Ca 0.24 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2pur h ILE 86 Cb 0.11 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2pur h ILE 86 CO -0.14 0.11 0.43 -1.28 0.00 0.00 0.00 178.15 177.27 2pur h SER 87 N 0.14 0.78 -0.31 1.72 0.87 -1.02 -1.15 113.55 114.58 2pur h SER 87 Ca 0.06 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 2pur h SER 87 Cb 0.11 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2pur h SER 87 CO -0.01 0.57 0.01 0.25 -0.53 0.00 0.00 176.83 177.13 2pur h LEU 88 N 0.91 0.52 -0.96 2.23 5.85 -0.95 -2.79 115.31 120.11 2pur h LEU 88 Ca 0.24 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2pur h LEU 88 Cb -0.09 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.75 2pur h LEU 88 CO -0.05 0.69 0.62 0.74 -0.34 0.00 0.00 178.44 180.10 2pur h THR 89 N 0.34 1.15 0.00 1.05 2.02 -0.97 -2.41 112.91 114.08 2pur h THR 89 Ca 0.09 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 2pur h THR 89 Cb 0.41 -0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2pur h THR 89 CO 0.01 0.22 -0.13 1.56 0.37 0.00 0.00 175.52 177.55 2pur h GLN 90 N 1.20 0.00 -0.43 6.66 4.20 -0.96 -1.30 115.11 124.48 2pur h GLN 90 Ca 0.39 0.00 0.12 0.00 0.06 0.00 0.00 58.65 59.22 2pur h GLN 90 Cb 0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2pur h GLN 90 CO -0.13 0.13 0.32 0.00 -0.67 0.00 0.00 178.83 178.48 2pur h ARG 91 N 0.00 0.00 -0.02 1.46 3.08 -1.18 -2.43 114.38 115.29 2pur h ARG 91 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pur h ARG 91 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2pur h ARG 91 CO 0.02 0.00 -0.05 1.19 -1.07 0.00 0.00 179.97 180.05 2pur n PHE 92 N -4.34 0.00 -1.79 3.04 3.72 -0.50 -4.92 117.46 112.66 2pur n PHE 92 Ca 0.07 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.06 2pur n PHE 92 Cb 0.51 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.04 2pur n PHE 92 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2pur s ASN 93 N -1.69 6.37 -1.40 4.37 0.01 -0.92 -2.39 114.94 119.29 2pur s ASN 93 Ca 0.22 2.99 -0.01 0.00 -0.71 0.00 0.00 52.86 55.35 2pur s ASN 93 Cb 0.16 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 39.18 2pur s ASN 93 CO 0.28 -0.89 0.48 0.47 -1.51 0.00 0.00 177.10 175.92 2pur n ASP 94 N 1.47 -0.54 -0.01 -1.22 10.43 -1.26 -4.90 116.55 120.52 2pur n ASP 94 Ca 0.05 -0.97 0.02 0.00 2.57 0.00 0.00 54.79 56.46 2pur n ASP 94 Cb 0.38 -3.22 -0.05 0.00 1.84 0.00 0.00 41.12 40.07 2pur n ASP 94 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 2pur n SER 95 N -2.99 3.56 0.00 -2.24 3.41 -1.01 -5.02 113.62 109.33 2pur n SER 95 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 2pur n SER 95 Cb 0.68 1.18 0.00 0.00 -0.26 0.00 0.00 64.21 65.81 2pur n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pur n GLY 96 N 2.23 2.84 3.76 5.00 0.00 -1.26 -5.07 105.19 112.68 2pur n GLY 96 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2pur n GLY 96 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2pur n ILE 97 N -0.97 2.37 0.78 -0.61 2.08 -1.26 -4.79 119.36 116.96 2pur n ILE 97 Ca 0.00 -0.50 0.12 0.00 0.56 0.00 0.00 62.75 62.93 2pur n ILE 97 Cb 0.00 -1.85 0.14 0.00 -0.75 0.00 0.00 39.64 37.18 2pur n ILE 97 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 2pur n VAL 98 N 0.10 0.13 0.00 1.39 0.24 -0.49 -5.00 118.33 114.71 2pur n VAL 98 Ca 0.04 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2pur n VAL 98 Cb 0.40 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2pur n VAL 98 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pur n GLY 99 N 1.43 -0.81 3.21 7.63 0.00 -1.26 -4.28 105.19 111.11 2pur n GLY 99 Ca 0.04 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 2pur n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pur s LEU 101 N -0.85 4.17 -0.17 0.00 2.96 -0.35 -0.42 118.68 124.02 2pur s LEU 101 Ca 0.07 -0.77 0.00 0.00 -0.22 0.00 0.00 54.13 53.21 2pur s LEU 101 Cb -0.08 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 44.70 2pur s LEU 101 CO 0.01 -0.25 -0.11 0.28 -1.32 0.00 0.00 176.35 174.96 2pur s THR 102 N 1.53 1.52 0.35 3.68 -1.32 -0.39 -0.93 115.64 120.09 2pur s THR 102 Ca 0.03 -0.79 -0.18 0.00 -1.21 0.00 0.00 61.69 59.54 2pur s THR 102 Cb -0.18 -1.54 -0.10 0.00 -1.51 0.00 0.00 72.50 69.17 2pur s THR 102 CO 0.04 0.28 0.82 0.54 -2.21 0.00 0.00 174.62 174.09 2pur s VAL 103 N 1.48 4.54 0.31 5.08 0.11 -1.26 -1.41 120.40 129.24 2pur s VAL 103 Ca 0.02 1.21 -0.29 0.00 -2.93 0.00 0.00 61.98 59.99 2pur s VAL 103 Cb -0.15 -3.65 -0.13 0.00 -1.53 0.00 0.00 36.38 30.93 2pur s VAL 103 CO -0.09 -0.18 1.35 0.35 -3.33 0.00 0.00 175.10 173.20 2pur n THR 104 N -0.31 1.60 -1.55 5.04 -2.24 -0.36 -4.53 114.28 111.92 2pur n THR 104 Ca 0.04 -0.40 -0.51 0.00 -2.27 0.00 0.00 64.05 60.91 2pur n THR 104 Cb 0.53 -1.56 -0.05 0.00 -2.10 0.00 0.00 70.33 67.15 2pur n THR 104 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2pur n PRO 105 N 1.13 0.89 -3.91 -0.78 -0.02 -1.26 -4.92 135.00 126.13 2pur n PRO 105 Ca 0.07 0.32 -0.27 0.00 -2.02 0.00 0.00 63.50 61.60 2pur n PRO 105 Cb 0.35 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 2pur n PRO 105 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2pur s TYR 106 N -0.07 3.49 0.00 6.00 -0.85 -1.26 -4.50 117.35 120.15 2pur s TYR 106 Ca 0.78 0.15 0.00 0.00 -0.52 0.00 0.00 57.07 57.48 2pur s TYR 106 Cb -0.95 -1.70 0.00 0.00 0.38 0.00 0.00 41.96 39.70 2pur s TYR 106 CO 0.52 0.50 0.00 0.98 -1.52 0.00 0.00 175.55 176.03 2pur n TYR 107 N -0.51 0.00 1.35 -3.49 9.36 -0.73 -4.54 117.16 118.60 2pur n TYR 107 Ca -0.07 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.29 2pur n TYR 107 Cb 0.54 0.00 0.44 0.00 -0.63 0.00 0.00 39.34 39.69 2pur n TYR 107 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2pur n ASN 108 N 2.46 1.18 -3.71 2.98 6.94 -1.26 -4.99 115.26 118.86 2pur n ASN 108 Ca 0.00 -1.11 -0.32 0.00 -0.02 0.00 0.00 54.58 53.13 2pur n ASN 108 Cb 0.00 0.08 0.04 0.00 -2.36 0.00 0.00 39.78 37.54 2pur n ASN 108 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2pur n ARG 109 N -0.35 -1.33 -1.04 -3.83 1.74 -1.26 -4.92 116.66 105.67 2pur n ARG 109 Ca 0.15 0.44 -0.31 0.00 -0.77 0.00 0.00 57.85 57.36 2pur n ARG 109 Cb 0.35 -4.08 0.13 0.00 -1.02 0.00 0.00 32.46 27.84 2pur n ARG 109 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2pur s PRO 110 N -6.08 1.55 0.99 5.56 0.04 -1.26 -5.02 135.00 130.77 2pur s PRO 110 Ca 0.45 1.22 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 2pur s PRO 110 Cb -0.16 -1.81 0.18 0.00 0.04 0.00 0.00 34.50 32.75 2pur s PRO 110 CO 0.87 -2.16 1.14 -1.54 0.04 0.00 0.00 177.00 175.35 2pur s SER 111 N -3.13 2.80 0.33 6.66 1.04 -1.26 -4.77 113.70 115.36 2pur s SER 111 Ca 0.64 0.88 0.01 0.00 0.48 0.00 0.00 55.95 57.96 2pur s SER 111 Cb -0.19 -1.36 0.56 0.00 0.10 0.00 0.00 66.02 65.13 2pur s SER 111 CO 0.57 -2.99 1.94 1.56 0.98 0.00 0.00 173.24 175.30 2pur h GLN 112 N -1.80 0.79 -0.69 4.02 1.08 -1.95 0.52 115.11 117.08 2pur h GLN 112 Ca -0.50 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 56.60 2pur h GLN 112 Cb 1.32 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 28.56 2pur h GLN 112 CO 0.54 0.61 0.39 1.49 -0.95 0.00 0.00 178.83 180.90 2pur h GLU 113 N 0.79 0.96 -0.54 1.46 4.57 -1.99 -0.73 114.58 119.10 2pur h GLU 113 Ca 0.20 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2pur h GLU 113 Cb 0.07 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 2pur h GLU 113 CO -0.03 0.71 0.28 0.78 -1.18 0.00 0.00 179.01 179.58 2pur h GLY 114 N 0.95 0.82 0.94 1.92 0.00 -1.63 -0.52 103.07 105.54 2pur h GLY 114 Ca 0.24 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.20 2pur h GLY 114 CO -0.04 0.37 0.19 1.41 0.00 0.00 0.00 176.54 178.47 2pur h LEU 115 N 0.72 0.32 -0.01 3.11 3.38 -0.69 0.23 115.31 122.37 2pur h LEU 115 Ca 0.19 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.19 2pur h LEU 115 Cb 0.08 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2pur h LEU 115 CO -0.03 0.23 -0.29 0.22 0.09 0.00 0.00 178.44 178.67 2pur h TYR 116 N 0.39 -0.78 -0.65 1.13 3.20 -0.82 -1.16 116.97 118.28 2pur h TYR 116 Ca 0.12 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2pur h TYR 116 Cb -0.01 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 2pur h TYR 116 CO -0.07 -0.38 0.37 1.96 -1.64 0.00 0.00 178.16 178.40 2pur h GLN 117 N -0.43 0.89 0.95 1.82 1.08 -0.97 0.25 115.11 118.71 2pur h GLN 117 Ca 0.07 -0.09 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 2pur h GLN 117 Cb 0.52 -0.18 0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2pur h GLN 117 CO -0.25 0.65 -0.46 1.25 -0.95 0.00 0.00 178.83 179.07 2pur h HIS 118 N 0.90 -1.18 -0.27 2.96 2.76 -0.60 -1.14 115.15 118.58 2pur h HIS 118 Ca 0.23 -0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.26 2pur h HIS 118 Cb 0.01 0.39 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 2pur h HIS 118 CO 0.00 -0.73 -0.31 0.74 -1.30 0.00 0.00 177.93 176.33 2pur h PHE 119 N -1.32 0.64 -0.50 5.26 0.04 -1.11 -2.22 116.94 117.74 2pur h PHE 119 Ca -0.13 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.48 2pur h PHE 119 Cb 0.98 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.95 2pur h PHE 119 CO -0.00 0.81 0.29 -0.22 -0.60 0.00 0.00 178.31 178.59 2pur h LYS 120 N 0.48 0.68 -0.42 1.51 3.64 -0.93 -1.01 116.57 120.51 2pur h LYS 120 Ca 0.06 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2pur h LYS 120 Cb 0.78 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2pur h LYS 120 CO 0.06 0.50 0.16 0.00 -2.27 0.00 0.00 179.45 177.91 2pur h ALA 121 N 1.14 0.55 -0.09 5.00 0.00 -0.93 -1.42 119.26 123.51 2pur h ALA 121 Ca 0.18 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2pur h ALA 121 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2pur h ALA 121 CO -0.03 0.17 -0.02 0.82 0.00 0.00 0.00 179.25 180.18 2pur h ILE 122 N 0.54 0.91 -0.92 0.00 2.04 -1.24 -2.52 117.51 116.33 2pur h ILE 122 Ca 0.14 -0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.04 2pur h ILE 122 Cb 0.21 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 2pur h ILE 122 CO -0.01 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.74 2pur h ALA 123 N 1.09 1.43 0.00 1.87 0.00 -1.00 -1.79 119.26 120.86 2pur h ALA 123 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pur h ALA 123 Cb 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2pur h ALA 123 CO -0.09 0.47 -0.02 0.93 0.00 0.00 0.00 179.25 180.54 2pur h GLU 124 N 1.13 0.00 -0.61 0.00 5.08 -0.83 -2.94 114.58 116.41 2pur h GLU 124 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2pur h GLU 124 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2pur h GLU 124 CO -0.12 0.02 0.00 0.72 -1.00 0.00 0.00 179.01 178.63 2pur n HIS 125 N -3.13 1.75 -3.67 4.33 8.25 -0.67 -4.95 115.22 117.12 2pur n HIS 125 Ca -0.00 -0.67 -0.13 0.00 -0.26 0.00 0.00 57.72 56.66 2pur n HIS 125 Cb 0.25 -0.37 -0.06 0.00 1.12 0.00 0.00 29.99 30.93 2pur n HIS 125 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2pur s THR 126 N -2.28 0.06 -1.34 1.59 -1.32 -1.11 -4.83 115.64 106.40 2pur s THR 126 Ca 0.53 -0.47 0.24 0.00 -1.21 0.00 0.00 61.69 60.78 2pur s THR 126 Cb 0.37 -0.95 0.03 0.00 -1.51 0.00 0.00 72.50 70.44 2pur s THR 126 CO 0.21 -0.26 1.31 0.47 -2.21 0.00 0.00 174.62 174.14 2pur n ASP 127 N 0.51 0.94 -4.77 8.08 8.00 -1.26 -4.90 116.55 123.15 2pur n ASP 127 Ca -0.18 -0.74 -0.40 0.00 0.71 0.00 0.00 54.79 54.18 2pur n ASP 127 Cb 0.60 0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 42.07 2pur n ASP 127 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pur s LEU 128 N -2.80 4.36 0.30 0.64 1.43 -1.26 -4.97 118.68 116.38 2pur s LEU 128 Ca 0.15 2.53 -0.30 0.00 -1.03 0.00 0.00 54.13 55.48 2pur s LEU 128 Cb 0.18 -3.78 -0.12 0.00 0.03 0.00 0.00 46.19 42.50 2pur s LEU 128 CO 0.67 -0.55 1.47 -2.65 0.23 0.00 0.00 176.35 175.51 2pur n PRO 129 N 0.58 2.40 -4.30 1.29 -0.02 -1.26 -4.85 135.00 128.84 2pur n PRO 129 Ca 0.01 0.85 -0.34 0.00 -2.02 0.00 0.00 63.50 62.00 2pur n PRO 129 Cb 0.44 -2.55 -0.13 0.00 -0.02 0.00 0.00 33.50 31.23 2pur n PRO 129 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2pur s GLN 130 N -1.00 3.51 -0.30 -0.52 -1.52 0.17 -0.54 119.66 119.45 2pur s GLN 130 Ca 0.62 -0.59 -0.08 0.00 -1.95 0.00 0.00 55.36 53.35 2pur s GLN 130 Cb -0.55 -2.90 -0.00 0.00 -0.22 0.00 0.00 33.01 29.34 2pur s GLN 130 CO 0.54 0.07 0.12 0.42 -0.25 0.00 0.00 175.29 176.19 2pur s ILE 131 N 0.78 4.34 0.63 1.08 1.01 0.45 -1.20 121.20 128.28 2pur s ILE 131 Ca -0.02 -0.52 -0.17 0.00 0.00 0.00 0.00 60.65 59.94 2pur s ILE 131 Cb -0.15 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 2pur s ILE 131 CO 0.02 0.08 1.18 -0.76 0.00 0.00 0.00 174.94 175.46 2pur s LEU 132 N 1.57 3.56 -0.06 2.97 1.43 -0.16 -1.26 118.68 126.73 2pur s LEU 132 Ca 0.04 2.29 -0.02 0.00 -1.03 0.00 0.00 54.13 55.40 2pur s LEU 132 Cb -0.17 -4.59 0.03 0.00 0.03 0.00 0.00 46.19 41.50 2pur s LEU 132 CO 0.05 -1.69 0.06 -0.47 0.23 0.00 0.00 176.35 174.52 2pur s TYR 133 N -1.83 0.17 -0.19 0.29 5.04 -0.50 -4.30 117.35 116.03 2pur s TYR 133 Ca 0.74 0.12 -0.02 0.00 -2.44 0.00 0.00 57.07 55.47 2pur s TYR 133 Cb -0.28 -0.56 0.00 0.00 0.35 0.00 0.00 41.96 41.48 2pur s TYR 133 CO 0.36 -0.26 -0.11 1.21 -1.34 0.00 0.00 175.55 175.42 2pur s ASN 134 N 2.14 3.84 -0.46 4.32 2.47 -1.26 -1.22 114.94 124.76 2pur s ASN 134 Ca 0.05 -0.48 0.07 0.00 0.42 0.00 0.00 52.86 52.91 2pur s ASN 134 Cb -0.13 -1.63 0.24 0.00 -1.45 0.00 0.00 41.25 38.29 2pur s ASN 134 CO -0.04 0.01 0.77 0.55 -3.72 0.00 0.00 177.10 174.67 2pur n VAL 135 N 4.57 -0.23 -0.18 -5.21 3.14 -1.26 -0.81 118.33 118.36 2pur n VAL 135 Ca -0.19 -2.27 0.18 0.00 -2.96 0.00 0.00 64.34 59.10 2pur n VAL 135 Cb 0.51 0.40 0.54 0.00 -1.06 0.00 0.00 33.84 34.23 2pur n VAL 135 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 2pur h PRO 136 N 4.04 0.34 0.00 1.45 0.11 -1.88 -1.29 132.00 134.78 2pur h PRO 136 Ca -0.07 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 2pur h PRO 136 Cb 0.99 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 2pur h PRO 136 CO 0.36 0.22 -0.05 0.66 -0.21 0.00 0.00 178.00 178.99 2pur h SER 137 N 0.35 0.00 0.22 -2.05 4.64 -1.93 -0.71 113.55 114.08 2pur h SER 137 Ca 0.40 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.38 2pur h SER 137 Cb 1.03 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.06 2pur h SER 137 CO -0.12 0.05 -2.07 0.54 -0.87 0.00 0.00 176.83 174.36 2pur n ARG 138 N -4.11 0.67 -0.06 4.77 1.74 -0.54 -4.68 116.66 114.45 2pur n ARG 138 Ca -0.03 0.15 -0.03 0.00 -0.77 0.00 0.00 57.85 57.18 2pur n ARG 138 Cb 0.13 -1.65 -0.16 0.00 -1.02 0.00 0.00 32.46 29.76 2pur n ARG 138 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2pur n THR 139 N -2.96 0.95 -1.00 0.55 -2.24 -0.89 -4.81 114.28 103.88 2pur n THR 139 Ca -0.27 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 2pur n THR 139 Cb 1.09 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 2pur n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pur n GLY 140 N 1.56 0.53 3.11 3.38 0.00 -0.30 -1.77 105.19 111.71 2pur n GLY 140 Ca -0.22 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 2pur n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pur s ASP 142 N -2.96 3.14 -0.50 0.00 2.15 -1.26 -3.55 116.67 113.68 2pur s ASP 142 Ca 0.13 -0.95 -0.28 0.00 0.43 0.00 0.00 52.55 51.88 2pur s ASP 142 Cb 0.08 -0.68 0.01 0.00 -0.30 0.00 0.00 42.92 42.02 2pur s ASP 142 CO -0.06 -0.31 1.46 -0.22 -0.17 0.00 0.00 175.17 175.87 2pur s LEU 143 N 1.79 3.46 0.48 -1.34 2.96 -1.26 -4.98 118.68 119.80 2pur s LEU 143 Ca -0.00 0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 54.32 2pur s LEU 143 Cb -0.17 -3.21 -0.06 0.00 0.50 0.00 0.00 46.19 43.24 2pur s LEU 143 CO -0.10 -1.66 0.89 -0.76 -1.32 0.00 0.00 176.35 173.40 2pur s LEU 144 N 6.09 3.64 0.31 -0.68 1.43 -1.26 -4.86 118.68 123.36 2pur s LEU 144 Ca 0.58 1.30 0.08 0.00 -1.03 0.00 0.00 54.13 55.06 2pur s LEU 144 Cb -0.12 -4.24 0.87 0.00 0.03 0.00 0.00 46.19 42.72 2pur s LEU 144 CO 0.28 -0.56 1.69 -0.65 0.23 0.00 0.00 176.35 177.34 2pur h PRO 145 N 0.78 0.39 -0.58 1.29 0.11 -1.94 -1.00 132.00 131.05 2pur h PRO 145 Ca -0.47 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.66 2pur h PRO 145 Cb 1.19 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 2pur h PRO 145 CO 0.62 0.26 0.33 1.49 -0.21 0.00 0.00 178.00 180.50 2pur h GLU 146 N 0.40 0.63 -0.25 1.05 4.81 -1.93 0.19 114.58 119.48 2pur h GLU 146 Ca 0.63 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.68 2pur h GLU 146 Cb 1.28 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 2pur h GLU 146 CO -0.55 0.41 -0.42 1.15 -0.73 0.00 0.00 179.01 178.87 2pur h THR 147 N 0.65 1.30 -0.46 0.32 2.02 -1.60 -1.88 112.91 113.26 2pur h THR 147 Ca 0.25 -1.60 0.06 0.00 0.77 0.00 0.00 66.41 65.89 2pur h THR 147 Cb 0.09 1.56 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 2pur h THR 147 CO -0.13 0.51 0.17 0.58 0.37 0.00 0.00 175.52 177.01 2pur h VAL 148 N 0.50 0.86 -0.79 3.16 2.07 -0.48 -0.17 116.25 121.39 2pur h VAL 148 Ca 0.04 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2pur h VAL 148 Cb 0.94 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 2pur h VAL 148 CO 0.08 0.06 0.50 1.23 0.02 0.00 0.00 177.57 179.47 2pur h GLY 149 N 0.34 1.16 1.00 2.17 0.00 -0.70 0.91 103.07 107.95 2pur h GLY 149 Ca 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2pur h GLY 149 CO -0.21 0.30 0.18 -0.09 0.00 0.00 0.00 176.54 176.71 2pur h ARG 150 N 0.96 0.36 0.00 4.80 2.43 -0.87 -3.02 114.38 119.04 2pur h ARG 150 Ca 0.33 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.37 2pur h ARG 150 Cb 0.05 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2pur h ARG 150 CO -0.13 0.25 -0.50 -0.07 -1.51 0.00 0.00 179.97 178.01 2pur h LEU 151 N 0.36 0.00 -2.17 3.80 3.38 -0.58 -2.83 115.31 117.27 2pur h LEU 151 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2pur h LEU 151 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2pur h LEU 151 CO -0.02 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.01 2pur h ALA 152 N 1.50 1.00 0.00 1.53 0.00 -0.70 -1.40 119.26 121.19 2pur h ALA 152 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pur h ALA 152 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2pur h ALA 152 CO 0.06 0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.18 2pur h LYS 153 N 0.00 0.00 -6.51 0.00 1.57 -1.52 -3.43 116.57 106.68 2pur h LYS 153 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2pur h LYS 153 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2pur h LYS 153 CO 0.00 0.00 0.54 0.08 -0.57 0.00 0.00 179.45 179.50 2pur s VAL 154 N -3.68 4.03 0.14 0.50 1.01 -0.53 -4.95 120.40 116.93 2pur s VAL 154 Ca 0.01 1.51 -0.20 0.00 0.00 0.00 0.00 61.98 63.30 2pur s VAL 154 Cb 0.09 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2pur s VAL 154 CO 0.48 0.14 1.68 0.50 0.00 0.00 0.00 175.10 177.91 2pur h LYS 155 N 6.47 -0.06 -0.28 2.72 3.64 -1.87 -2.20 116.57 124.98 2pur h LYS 155 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2pur h LYS 155 Cb 1.21 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2pur h LYS 155 CO 0.79 -0.04 0.00 0.27 -2.27 0.00 0.00 179.45 178.20 2pur n ASN 156 N -5.27 1.84 -4.49 4.20 6.94 -1.26 -4.65 115.26 112.56 2pur n ASN 156 Ca -0.01 -1.87 -0.43 0.00 -0.02 0.00 0.00 54.58 52.25 2pur n ASN 156 Cb 0.19 -0.18 -0.06 0.00 -2.36 0.00 0.00 39.78 37.37 2pur n ASN 156 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2pur s ILE 157 N -1.63 4.82 0.00 1.53 1.01 -0.83 0.41 121.20 126.51 2pur s ILE 157 Ca 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.80 2pur s ILE 157 Cb 0.15 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.36 2pur s ILE 157 CO 0.21 -0.72 0.24 2.30 0.00 0.00 0.00 174.94 176.98 2pur n ILE 158 N 5.77 0.00 -3.90 2.92 -6.64 -0.34 -4.65 119.36 112.52 2pur n ILE 158 Ca -0.03 -0.47 -0.01 0.00 -1.77 0.00 0.00 62.75 60.47 2pur n ILE 158 Cb 0.47 1.03 0.01 0.00 -1.44 0.00 0.00 39.64 39.71 2pur n ILE 158 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 2pur s GLY 159 N -0.46 -0.01 0.00 3.28 0.00 -1.20 -1.52 107.32 107.41 2pur s GLY 159 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.59 2pur s GLY 159 CO 0.00 3.25 0.00 4.51 0.00 0.00 0.00 173.10 180.86 2pur n ILE 160 N -0.75 0.00 -3.15 0.90 3.06 -0.31 -0.99 119.36 118.12 2pur n ILE 160 Ca -0.01 0.00 0.06 0.00 -2.50 0.00 0.00 62.75 60.30 2pur n ILE 160 Cb 0.59 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.77 2pur n ILE 160 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 2pur s GLU 162 N 1.72 0.05 -0.20 9.51 -6.30 0.29 -0.41 118.70 123.35 2pur s GLU 162 Ca 0.00 0.06 0.16 0.00 -2.50 0.00 0.00 54.97 52.69 2pur s GLU 162 Cb 0.00 0.03 0.62 0.00 0.00 0.00 0.00 34.13 34.79 2pur s GLU 162 CO 0.00 -0.07 1.53 0.00 0.02 0.00 0.00 175.26 176.74 2pur n ALA 163 N 5.25 3.28 0.20 6.30 0.00 0.01 -1.23 120.51 134.32 2pur n ALA 163 Ca 0.01 -2.18 0.07 0.00 0.00 0.00 0.00 53.44 51.34 2pur n ALA 163 Cb 0.57 -0.85 0.42 0.00 0.00 0.00 0.00 19.45 19.59 2pur n ALA 163 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2pur h THR 164 N 2.52 0.88 0.00 0.00 1.35 -1.92 -3.44 112.91 112.30 2pur h THR 164 Ca 0.00 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 2pur h THR 164 Cb 1.62 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 2pur h THR 164 CO 0.31 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 2pur n GLY 165 N -0.06 0.36 3.35 5.82 0.00 -1.26 -4.98 105.19 108.43 2pur n GLY 165 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 2pur n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pur s ASN 166 N -2.11 6.19 0.37 1.61 3.84 -1.26 -4.93 114.94 118.65 2pur s ASN 166 Ca 0.00 -1.57 0.27 0.00 0.21 0.00 0.00 52.86 51.77 2pur s ASN 166 Cb 0.00 -2.27 1.28 0.00 -0.55 0.00 0.00 41.25 39.71 2pur s ASN 166 CO 0.00 -1.03 1.81 -0.07 -2.79 0.00 0.00 177.10 175.03 2pur h LEU 167 N 9.61 0.00 -1.77 3.21 3.38 -1.97 -2.28 115.31 125.49 2pur h LEU 167 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2pur h LEU 167 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2pur h LEU 167 CO 1.08 0.00 -0.06 0.71 0.09 0.00 0.00 178.44 180.26 2pur h THR 168 N 0.00 0.21 0.00 0.22 1.35 -2.03 -2.61 112.91 110.06 2pur h THR 168 Ca 0.00 -0.53 -0.01 0.00 -0.55 0.00 0.00 66.41 65.32 2pur h THR 168 Cb 0.22 1.43 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2pur h THR 168 CO 0.00 0.06 -0.04 0.03 -0.25 0.00 0.00 175.52 175.32 2pur h ARG 169 N 0.00 0.00 0.47 4.72 2.47 -1.84 -3.00 114.38 117.20 2pur h ARG 169 Ca -0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2pur h ARG 169 Cb 0.42 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 2pur h ARG 169 CO 0.01 0.04 -0.47 0.28 0.56 0.00 0.00 179.97 180.39 2pur h VAL 170 N 0.00 0.07 0.00 2.04 2.07 -1.69 -0.17 116.25 118.56 2pur h VAL 170 Ca -0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2pur h VAL 170 Cb 0.09 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 2pur h VAL 170 CO 0.01 0.00 -0.27 0.78 0.02 0.00 0.00 177.57 178.10 2pur h ASN 171 N -0.96 0.00 -0.50 0.57 2.35 -1.78 -0.18 115.58 115.08 2pur h ASN 171 Ca -0.05 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 2pur h ASN 171 Cb 0.84 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 2pur h ASN 171 CO -0.06 0.27 0.12 1.56 -1.65 0.00 0.00 177.43 177.67 2pur h GLN 172 N 0.00 0.81 -0.12 0.81 4.20 -1.37 -2.28 115.11 117.16 2pur h GLN 172 Ca -0.00 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.39 2pur h GLN 172 Cb 1.12 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.80 2pur h GLN 172 CO 0.04 0.78 -0.41 0.82 -0.67 0.00 0.00 178.83 179.39 2pur h ILE 173 N 0.70 1.37 -0.89 2.54 2.04 -0.87 -3.32 117.51 119.08 2pur h ILE 173 Ca 0.16 -1.72 0.06 0.00 1.00 0.00 0.00 64.86 64.36 2pur h ILE 173 Cb 0.34 2.14 -0.06 0.00 -0.74 0.00 0.00 36.82 38.50 2pur h ILE 173 CO 0.00 0.51 0.58 0.50 0.00 0.00 0.00 178.15 179.75 2pur h LYS 174 N 0.08 0.98 0.00 2.37 3.64 -0.97 -0.81 116.57 121.86 2pur h LYS 174 Ca -0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2pur h LYS 174 Cb 1.04 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2pur h LYS 174 CO 0.09 0.65 0.00 1.05 -2.27 0.00 0.00 179.45 178.96 2pur h GLU 175 N 1.01 0.00 -0.01 1.90 4.11 -1.51 -3.06 114.58 117.02 2pur h GLU 175 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 2pur h GLU 175 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2pur h GLU 175 CO -0.14 0.00 -0.43 1.28 0.07 0.00 0.00 179.01 179.79 2pur n LEU 176 N -2.43 1.78 -4.37 3.06 4.77 -0.33 -4.99 117.00 114.49 2pur n LEU 176 Ca 0.03 -0.75 -0.19 0.00 -0.03 0.00 0.00 56.01 55.06 2pur n LEU 176 Cb 0.30 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 2pur n LEU 176 CO 0.24 0.34 -0.42 0.68 -1.33 0.00 0.00 177.39 176.90 2pur s VAL 177 N -2.21 1.70 0.84 4.08 -7.23 -1.05 -4.68 120.40 111.86 2pur s VAL 177 Ca 0.15 -2.19 -0.11 0.00 -1.81 0.00 0.00 61.98 58.03 2pur s VAL 177 Cb 0.15 -2.16 0.10 0.00 0.56 0.00 0.00 36.38 35.04 2pur s VAL 177 CO 0.50 -0.51 1.11 -0.94 -0.31 0.00 0.00 175.10 174.95 2pur s SER 178 N -3.35 3.76 0.53 4.85 1.04 -1.26 -4.91 113.70 114.36 2pur s SER 178 Ca 0.25 1.90 0.34 0.00 0.48 0.00 0.00 55.95 58.92 2pur s SER 178 Cb 0.00 -2.49 1.55 0.00 0.10 0.00 0.00 66.02 65.18 2pur s SER 178 CO 0.08 -2.52 2.03 0.44 0.98 0.00 0.00 173.24 174.25 2pur h ASP 179 N -1.47 0.00 0.04 7.02 5.19 -2.01 -1.52 116.42 123.68 2pur h ASP 179 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2pur h ASP 179 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2pur h ASP 179 CO 0.48 0.00 -0.12 -0.90 -3.12 0.00 0.00 179.24 175.59 2pur n ASP 180 N -2.95 1.76 -4.70 6.45 5.75 -1.26 -4.86 116.55 116.73 2pur n ASP 180 Ca -0.00 -1.46 -0.42 0.00 -0.01 0.00 0.00 54.79 52.90 2pur n ASP 180 Cb 0.23 0.09 -0.03 0.00 -1.03 0.00 0.00 41.12 40.38 2pur n ASP 180 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2pur s PHE 181 N -2.17 3.02 -0.01 2.11 5.36 -0.57 -4.96 117.98 120.75 2pur s PHE 181 Ca 0.30 0.89 -0.19 0.00 -0.96 0.00 0.00 56.93 56.97 2pur s PHE 181 Cb 0.20 -3.66 -0.05 0.00 -0.34 0.00 0.00 43.02 39.17 2pur s PHE 181 CO 0.40 -2.36 0.55 0.54 -1.46 0.00 0.00 175.22 172.89 2pur s VAL 182 N 1.87 4.95 -0.26 3.12 0.11 -0.57 -4.97 120.40 124.65 2pur s VAL 182 Ca 0.64 1.14 -0.02 0.00 -2.93 0.00 0.00 61.98 60.81 2pur s VAL 182 Cb -0.33 -3.88 0.03 0.00 -1.53 0.00 0.00 36.38 30.67 2pur s VAL 182 CO 0.28 0.44 -0.04 -0.76 -3.33 0.00 0.00 175.10 171.68 2pur s LEU 183 N -0.27 3.35 -0.06 2.54 1.43 -1.26 -1.17 118.68 123.24 2pur s LEU 183 Ca 0.29 -0.94 0.06 0.00 -1.03 0.00 0.00 54.13 52.51 2pur s LEU 183 Cb -0.18 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 2pur s LEU 183 CO 0.16 -0.15 -0.24 -0.76 0.23 0.00 0.00 176.35 175.58 2pur s LEU 184 N 1.32 2.12 0.29 1.79 1.43 0.45 0.20 118.68 126.28 2pur s LEU 184 Ca -0.01 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.31 2pur s LEU 184 Cb -0.17 -1.39 -0.10 0.00 0.03 0.00 0.00 46.19 44.56 2pur s LEU 184 CO -0.04 0.25 1.13 -0.55 0.23 0.00 0.00 176.35 177.38 2pur s SER 185 N -0.20 7.17 -0.15 2.29 0.15 -0.39 -0.55 113.70 122.01 2pur s SER 185 Ca -0.02 2.33 0.16 0.00 0.70 0.00 0.00 55.95 59.12 2pur s SER 185 Cb -0.13 -2.63 0.47 0.00 -1.71 0.00 0.00 66.02 62.02 2pur s SER 185 CO 0.03 -0.22 1.37 0.61 1.20 0.00 0.00 173.24 176.23 2pur n GLY 186 N 1.10 3.98 2.71 9.45 0.00 -0.36 -0.39 105.19 121.67 2pur n GLY 186 Ca -0.01 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 2pur n GLY 186 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pur s ASP 187 N -1.92 3.91 0.21 1.61 2.15 -1.26 -4.68 116.67 116.69 2pur s ASP 187 Ca 0.38 -1.75 -0.08 0.00 0.43 0.00 0.00 52.55 51.53 2pur s ASP 187 Cb 0.31 -0.83 0.29 0.00 -0.30 0.00 0.00 42.92 42.39 2pur s ASP 187 CO 0.09 -0.40 1.77 0.44 -0.17 0.00 0.00 175.17 176.91 2pur h ASP 188 N 7.91 0.40 0.02 -0.34 3.32 -1.89 -1.69 116.42 124.15 2pur h ASP 188 Ca -0.12 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2pur h ASP 188 Cb 1.00 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 2pur h ASP 188 CO 0.46 0.24 -0.02 0.00 -1.72 0.00 0.00 179.24 178.19 2pur h ALA 189 N 1.40 1.95 -0.34 3.45 0.00 -1.94 -2.73 119.26 121.04 2pur h ALA 189 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2pur h ALA 189 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2pur h ALA 189 CO -0.26 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 177.89 2pur n SER 190 N -4.49 2.94 -0.14 0.00 3.41 -0.78 -4.73 113.62 109.82 2pur n SER 190 Ca -0.03 -1.91 -0.09 0.00 -0.26 0.00 0.00 58.87 56.59 2pur n SER 190 Cb 0.11 -0.23 0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2pur n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pur h ALA 191 N 2.56 0.84 -0.19 7.33 0.00 -1.01 0.14 119.26 128.93 2pur h ALA 191 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2pur h ALA 191 Cb 0.74 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2pur h ALA 191 CO 0.00 0.65 0.09 1.25 0.00 0.00 0.00 179.25 181.23 2pur h LEU 192 N 0.81 0.25 -0.67 0.00 5.85 -1.85 0.74 115.31 120.44 2pur h LEU 192 Ca 0.12 -0.14 0.12 0.00 0.84 0.00 0.00 57.88 58.82 2pur h LEU 192 Cb 0.68 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.57 2pur h LEU 192 CO 0.05 0.32 0.25 0.44 -0.34 0.00 0.00 178.44 179.16 2pur h ASP 193 N 0.17 0.22 -0.45 1.25 3.32 -1.82 0.20 116.42 119.31 2pur h ASP 193 Ca 0.06 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.23 2pur h ASP 193 Cb 0.14 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2pur h ASP 193 CO -0.01 0.11 0.26 0.15 -1.72 0.00 0.00 179.24 178.04 2pur h PHE 194 N 0.41 0.50 -0.45 4.55 3.04 -0.04 -1.27 116.94 123.67 2pur h PHE 194 Ca 0.35 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 62.22 2pur h PHE 194 Cb 0.49 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 2pur h PHE 194 CO -0.18 0.29 -0.12 0.52 -2.02 0.00 0.00 178.31 176.79 2pur h MET 195 N 0.53 0.83 -0.41 1.11 2.86 0.11 -1.56 114.93 118.40 2pur h MET 195 Ca 0.18 -0.29 0.06 0.00 -2.06 0.00 0.00 59.70 57.59 2pur h MET 195 Cb 0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2pur h MET 195 CO -0.08 0.92 0.28 0.37 1.06 0.00 0.00 176.91 179.45 2pur h GLN 196 N 0.75 0.30 -0.00 1.72 4.15 0.04 -1.24 115.11 120.83 2pur h GLN 196 Ca 0.12 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2pur h GLN 196 Cb 0.63 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2pur h GLN 196 CO 0.04 0.20 -0.02 1.28 -1.93 0.00 0.00 178.83 178.41 2pur n LEU 197 N -4.48 0.05 0.00 -2.39 4.77 -0.54 -4.87 117.00 109.54 2pur n LEU 197 Ca 0.05 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2pur n LEU 197 Cb 0.26 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2pur n LEU 197 CO 0.35 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2pur n GLY 198 N 1.28 1.11 3.69 -0.72 0.00 -0.47 -4.76 105.19 105.32 2pur n GLY 198 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2pur n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pur s GLY 199 N -1.24 2.00 0.00 -0.02 0.00 -0.61 -4.90 107.32 102.56 2pur s GLY 199 Ca 0.00 0.77 0.13 0.00 0.00 0.00 0.00 44.72 45.61 2pur s GLY 199 CO 0.00 1.19 0.76 1.42 0.00 0.00 0.00 173.10 176.47 2pur n HIS 200 N -3.63 0.00 -3.89 1.90 8.25 0.13 -4.48 115.22 113.50 2pur n HIS 200 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2pur n HIS 200 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 2pur n HIS 200 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pur n GLY 201 N 0.94 -0.94 2.91 -1.41 0.00 -1.22 -1.61 105.19 103.86 2pur n GLY 201 Ca 0.06 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 2pur n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pur s VAL 202 N -3.00 -0.00 -0.42 1.61 0.11 -0.81 -1.27 120.40 116.62 2pur s VAL 202 Ca 0.00 0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 58.90 2pur s VAL 202 Cb 0.00 -0.07 0.03 0.00 -1.53 0.00 0.00 36.38 34.81 2pur s VAL 202 CO 0.00 0.01 0.37 -0.63 -3.33 0.00 0.00 175.10 171.51 2pur s ILE 203 N 0.09 5.18 -0.02 7.04 1.01 0.48 -1.06 121.20 133.92 2pur s ILE 203 Ca -0.01 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.14 2pur s ILE 203 Cb -0.01 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.44 2pur s ILE 203 CO -0.00 -0.39 -0.20 -0.55 0.00 0.00 0.00 174.94 173.80 2pur s SER 204 N 1.83 3.54 -0.09 3.58 0.15 0.64 -4.45 113.70 118.90 2pur s SER 204 Ca 0.08 -0.37 -0.16 0.00 0.70 0.00 0.00 55.95 56.20 2pur s SER 204 Cb -0.19 -0.57 -0.28 0.00 -1.71 0.00 0.00 66.02 63.27 2pur s SER 204 CO 0.11 0.32 0.61 0.58 1.20 0.00 0.00 173.24 176.06 2pur h VAL 205 N 4.34 1.08 -0.73 4.45 2.07 -1.87 -0.77 116.25 124.82 2pur h VAL 205 Ca -0.45 -2.43 0.10 0.00 0.82 0.00 0.00 66.70 64.73 2pur h VAL 205 Cb 1.14 2.78 -0.05 0.00 -1.52 0.00 0.00 31.29 33.64 2pur h VAL 205 CO 0.48 0.72 0.48 0.74 0.02 0.00 0.00 177.57 180.01 2pur h THR 206 N -0.27 0.93 0.00 2.57 2.02 -1.95 -1.24 112.91 114.97 2pur h THR 206 Ca -0.29 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2pur h THR 206 Cb 1.78 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 2pur h THR 206 CO 0.08 0.11 0.06 0.00 0.37 0.00 0.00 175.52 176.14 2pur h ALA 207 N 1.63 1.06 -0.45 6.16 0.00 -1.83 -0.76 119.26 125.07 2pur h ALA 207 Ca 0.33 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.29 2pur h ALA 207 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2pur h ALA 207 CO -0.12 -0.06 0.30 -0.91 0.00 0.00 0.00 179.25 178.46 2pur h ASN 208 N 0.00 0.35 0.00 0.00 2.35 -1.44 -2.94 115.58 113.90 2pur h ASN 208 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2pur h ASN 208 Cb 0.12 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2pur h ASN 208 CO 0.00 0.24 0.00 1.33 -1.65 0.00 0.00 177.43 177.35 2pur n VAL 209 N -4.48 0.00 -2.59 2.81 0.24 -0.71 -4.75 118.33 108.85 2pur n VAL 209 Ca 0.05 -0.42 -0.16 0.00 -2.04 0.00 0.00 64.34 61.78 2pur n VAL 209 Cb 0.22 1.03 0.02 0.00 -1.47 0.00 0.00 33.84 33.64 2pur n VAL 209 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pur n ALA 210 N -0.67 4.04 -0.32 2.33 0.00 -0.37 -4.94 120.51 120.57 2pur n ALA 210 Ca 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 53.44 49.82 2pur n ALA 210 Cb 0.01 -0.79 0.08 0.00 0.00 0.00 0.00 19.45 18.75 2pur n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pur h ALA 211 N 2.84 1.10 0.10 0.00 0.00 -1.75 -0.88 119.26 120.67 2pur h ALA 211 Ca 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pur h ALA 211 Cb 1.08 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2pur h ALA 211 CO 0.63 0.52 -0.05 -0.09 0.00 0.00 0.00 179.25 180.26 2pur h ARG 212 N 1.18 -0.13 -0.72 0.00 9.65 -1.89 -0.60 114.38 121.87 2pur h ARG 212 Ca 0.32 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.23 2pur h ARG 212 Cb -0.12 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.45 2pur h ARG 212 CO -0.07 0.17 0.46 -0.44 2.80 0.00 0.00 179.97 182.90 2pur h ASP 213 N -0.43 0.77 -0.61 -3.80 3.32 -1.85 -1.18 116.42 112.65 2pur h ASP 213 Ca -0.01 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2pur h ASP 213 Cb 0.36 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2pur h ASP 213 CO 0.02 0.54 0.22 0.24 -1.72 0.00 0.00 179.24 178.54 2pur h MET 214 N 0.91 0.93 -0.40 3.56 2.86 -1.04 0.30 114.93 122.04 2pur h MET 214 Ca 0.28 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2pur h MET 214 Cb -0.02 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 2pur h MET 214 CO -0.10 0.80 0.20 0.00 1.06 0.00 0.00 176.91 178.88 2pur h ALA 215 N 1.08 0.51 -0.30 6.32 0.00 -0.59 -1.72 119.26 124.55 2pur h ALA 215 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2pur h ALA 215 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2pur h ALA 215 CO -0.01 0.06 0.14 1.96 0.00 0.00 0.00 179.25 181.40 2pur h GLN 216 N 0.50 0.44 -0.29 0.00 4.20 -0.90 -1.13 115.11 117.93 2pur h GLN 216 Ca 0.14 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.81 2pur h GLN 216 Cb 0.10 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2pur h GLN 216 CO -0.02 0.42 0.09 1.98 -0.67 0.00 0.00 178.83 180.63 2pur h MET 217 N 0.35 0.21 -0.32 1.46 4.05 -0.27 -1.38 114.93 119.03 2pur h MET 217 Ca 0.10 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.43 2pur h MET 217 Cb 0.13 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 2pur h MET 217 CO -0.01 0.14 -0.16 0.00 0.23 0.00 0.00 176.91 177.10 2pur h LYS 219 N 0.52 -0.13 -0.65 0.00 3.64 -0.94 -0.88 116.57 118.12 2pur h LYS 219 Ca 0.09 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.58 2pur h LYS 219 Cb 0.58 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.35 2pur h LYS 219 CO 0.04 0.05 0.24 -0.07 -2.27 0.00 0.00 179.45 177.43 2pur h LEU 220 N -0.29 0.22 -0.24 5.20 3.38 -1.08 -1.63 115.31 120.86 2pur h LEU 220 Ca -0.01 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2pur h LEU 220 Cb 0.24 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2pur h LEU 220 CO 0.02 0.12 0.15 0.00 0.09 0.00 0.00 178.44 178.81 2pur h ALA 221 N 1.46 0.30 -0.07 1.53 0.00 -1.07 0.03 119.26 121.44 2pur h ALA 221 Ca 0.34 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.23 2pur h ALA 221 Cb 0.45 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2pur h ALA 221 CO -0.34 -0.20 0.05 0.00 0.00 0.00 0.00 179.25 178.76 2pur h ALA 222 N 1.05 1.98 -0.01 0.00 0.00 -0.69 -0.51 119.26 121.08 2pur h ALA 222 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2pur h ALA 222 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2pur h ALA 222 CO -0.02 -0.09 -0.11 0.39 0.00 0.00 0.00 179.25 179.43 2pur n GLU 223 N -4.38 1.10 -0.78 0.00 1.02 -0.65 -4.93 120.64 112.01 2pur n GLU 223 Ca -0.01 -0.54 0.00 0.00 -0.02 0.00 0.00 57.16 56.59 2pur n GLU 223 Cb 0.16 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 2pur n GLU 223 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pur n GLY 224 N 1.24 0.66 2.71 0.62 0.00 -0.20 -4.97 105.19 105.24 2pur n GLY 224 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2pur n GLY 224 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pur n HIS 225 N -2.65 2.84 -0.02 1.61 8.25 -0.09 -4.80 115.22 120.37 2pur n HIS 225 Ca 0.00 -2.82 -0.10 0.00 -0.26 0.00 0.00 57.72 54.53 2pur n HIS 225 Cb 0.00 -1.99 0.04 0.00 1.12 0.00 0.00 29.99 29.17 2pur n HIS 225 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 2pur h PHE 226 N 5.39 0.78 -0.56 4.41 0.04 -1.89 -0.95 116.94 124.16 2pur h PHE 226 Ca 0.52 -0.27 0.01 0.00 2.80 0.00 0.00 57.97 61.03 2pur h PHE 226 Cb 0.52 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 2pur h PHE 226 CO 1.40 1.02 0.37 0.00 -0.60 0.00 0.00 178.31 180.50 2pur h ALA 227 N 0.93 0.72 -0.30 2.45 0.00 -1.97 0.19 119.26 121.27 2pur h ALA 227 Ca 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2pur h ALA 227 Cb 1.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2pur h ALA 227 CO 0.10 0.15 0.01 1.49 0.00 0.00 0.00 179.25 181.01 2pur h GLU 228 N 0.77 0.51 -0.99 0.00 4.81 -1.91 -2.66 114.58 115.12 2pur h GLU 228 Ca 0.21 -0.16 0.10 0.00 -0.13 0.00 0.00 59.36 59.38 2pur h GLU 228 Cb -0.09 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.17 2pur h GLU 228 CO -0.04 0.65 0.63 0.00 -0.73 0.00 0.00 179.01 179.52 2pur h ALA 229 N 0.84 1.51 -0.09 2.92 0.00 -0.95 -2.73 119.26 120.77 2pur h ALA 229 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2pur h ALA 229 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2pur h ALA 229 CO 0.01 0.28 -0.31 -0.09 0.00 0.00 0.00 179.25 179.14 2pur h ARG 230 N 1.03 0.16 -0.59 0.00 2.43 -0.31 0.70 114.38 117.79 2pur h ARG 230 Ca 0.47 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.59 2pur h ARG 230 Cb 0.39 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2pur h ARG 230 CO -0.22 0.45 0.38 0.28 -1.51 0.00 0.00 179.97 179.35 2pur h VAL 231 N 0.14 1.12 0.00 0.20 2.07 -1.15 0.15 116.25 118.78 2pur h VAL 231 Ca 0.02 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2pur h VAL 231 Cb 0.62 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2pur h VAL 231 CO 0.04 0.14 -0.00 0.40 0.02 0.00 0.00 177.57 178.17 2pur h ILE 232 N 0.77 1.21 -0.89 4.57 2.04 -1.35 -2.74 117.51 121.12 2pur h ILE 232 Ca 0.23 -0.63 0.18 0.00 1.00 0.00 0.00 64.86 65.64 2pur h ILE 232 Cb -0.05 1.64 -0.11 0.00 -0.74 0.00 0.00 36.82 37.56 2pur h ILE 232 CO -0.07 0.16 0.44 -1.13 0.00 0.00 0.00 178.15 177.56 2pur h ASN 233 N -0.27 0.49 -0.26 1.72 -0.00 -0.55 -0.73 115.58 115.98 2pur h ASN 233 Ca -0.00 0.12 -0.08 0.00 -0.00 0.00 0.00 56.30 56.33 2pur h ASN 233 Cb 0.27 0.05 -0.02 0.00 -0.00 0.00 0.00 38.32 38.62 2pur h ASN 233 CO 0.00 0.14 -0.11 1.56 -0.00 0.00 0.00 177.43 179.02 2pur h GLN 234 N 0.55 0.66 -0.26 6.67 4.20 -0.58 0.15 115.11 126.50 2pur h GLN 234 Ca 0.52 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.95 2pur h GLN 234 Cb 0.84 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2pur h GLN 234 CO -0.43 0.75 -0.15 -0.09 -0.67 0.00 0.00 178.83 178.25 2pur h ARG 235 N 0.60 0.44 0.00 1.46 2.43 -0.88 -3.17 114.38 115.26 2pur h ARG 235 Ca 0.11 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2pur h ARG 235 Cb 0.54 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2pur h ARG 235 CO 0.03 0.58 -0.71 1.28 -1.51 0.00 0.00 179.97 179.64 2pur n LEU 236 N -4.20 0.63 -0.24 3.80 4.77 -0.58 -3.58 117.00 117.60 2pur n LEU 236 Ca 0.00 -0.09 -0.04 0.00 -0.03 0.00 0.00 56.01 55.85 2pur n LEU 236 Cb 0.33 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.32 2pur n LEU 236 CO 0.40 0.12 1.14 -0.03 -1.33 0.00 0.00 177.39 177.70 2pur h MET 237 N 0.00 0.84 -0.88 3.23 4.05 -0.71 -0.38 114.93 121.08 2pur h MET 237 Ca 0.00 -0.05 0.08 0.00 -0.28 0.00 0.00 59.70 59.45 2pur h MET 237 Cb 0.56 -0.19 -0.06 0.00 -0.80 0.00 0.00 31.60 31.11 2pur h MET 237 CO 0.00 0.55 0.57 -1.35 0.23 0.00 0.00 176.91 176.91 2pur h PRO 238 N 0.86 0.89 -0.45 0.39 0.11 -1.80 -1.27 132.00 130.74 2pur h PRO 238 Ca 0.27 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.28 2pur h PRO 238 Cb -0.02 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 2pur h PRO 238 CO -0.09 0.59 0.12 -0.07 -0.21 0.00 0.00 178.00 178.34 2pur h LEU 239 N 0.92 0.67 -1.26 2.35 3.38 -1.44 0.28 115.31 120.21 2pur h LEU 239 Ca 0.40 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 58.27 2pur h LEU 239 Cb 0.33 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 2pur h LEU 239 CO -0.16 0.72 0.57 0.45 0.09 0.00 0.00 178.44 180.10 2pur h HIS 240 N 0.59 0.87 0.00 1.13 3.86 -0.20 -0.94 115.15 120.46 2pur h HIS 240 Ca 0.14 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.31 2pur h HIS 240 Cb 0.30 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2pur h HIS 240 CO 0.02 0.35 -0.49 -0.91 0.86 0.00 0.00 177.93 177.76 2pur h ASN 241 N 0.76 0.00 1.08 2.45 -0.26 -1.15 -3.40 115.58 115.05 2pur h ASN 241 Ca 0.43 -0.40 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 2pur h ASN 241 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 2pur h ASN 241 CO -0.20 0.98 0.00 0.11 -1.06 0.00 0.00 177.43 177.26 2pur h LYS 242 N -1.00 0.00 0.00 0.81 1.79 -0.32 -2.10 116.57 115.75 2pur h LYS 242 Ca -0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2pur h LYS 242 Cb 0.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 2pur h LYS 242 CO -0.06 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.59 2pur n LEU 243 N -2.49 0.00 -0.53 2.94 4.77 -0.37 -0.82 117.00 120.51 2pur n LEU 243 Ca 0.03 0.38 0.09 0.00 -0.03 0.00 0.00 56.01 56.48 2pur n LEU 243 Cb 0.32 -0.38 0.21 0.00 -2.33 0.00 0.00 43.42 41.24 2pur n LEU 243 CO 0.25 -0.25 0.64 0.49 -1.33 0.00 0.00 177.39 177.20 2pur n PHE 244 N -1.38 0.52 -0.03 -1.77 3.72 -0.79 -4.44 117.46 113.29 2pur n PHE 244 Ca 0.04 -0.95 0.03 0.00 -0.05 0.00 0.00 57.45 56.52 2pur n PHE 244 Cb 0.10 -0.24 0.38 0.00 -0.94 0.00 0.00 39.48 38.78 2pur n PHE 244 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 2pur h VAL 245 N 0.98 1.13 -2.87 -4.37 3.04 -1.09 -3.42 116.25 109.65 2pur h VAL 245 Ca 0.00 -0.30 -0.45 0.00 -1.01 0.00 0.00 66.70 64.94 2pur h VAL 245 Cb 1.25 0.51 -0.14 0.00 -2.01 0.00 0.00 31.29 30.90 2pur h VAL 245 CO 0.12 0.14 -0.68 -1.61 -1.01 0.00 0.00 177.57 174.53 2pur s GLU 246 N -5.46 1.43 0.18 4.17 2.02 -1.26 -5.07 118.70 114.71 2pur s GLU 246 Ca -0.09 -1.70 -0.33 0.00 0.02 0.00 0.00 54.97 52.87 2pur s GLU 246 Cb 0.17 -1.00 -0.14 0.00 0.10 0.00 0.00 34.13 33.26 2pur s GLU 246 CO 0.74 0.04 1.48 -2.30 0.02 0.00 0.00 175.26 175.25 2pur n PRO 247 N -0.49 2.00 -1.79 0.39 -0.02 -1.26 -4.51 135.00 129.31 2pur n PRO 247 Ca -0.06 0.72 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 2pur n PRO 247 Cb 0.63 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 2pur n PRO 247 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2pur s ASN 248 N 0.62 6.39 -0.48 2.55 3.04 -1.26 -0.80 114.94 125.00 2pur s ASN 248 Ca 0.75 2.93 0.03 0.00 0.04 0.00 0.00 52.86 56.61 2pur s ASN 248 Cb -0.70 -2.63 0.63 0.00 -1.54 0.00 0.00 41.25 37.01 2pur s ASN 248 CO 0.43 -0.90 1.92 -0.81 -3.04 0.00 0.00 177.10 174.71 2pur n PRO 249 N 2.24 2.31 0.12 0.43 -0.04 -1.26 -4.93 135.00 133.86 2pur n PRO 249 Ca 0.08 -3.06 -0.13 0.00 -0.04 0.00 0.00 63.50 60.35 2pur n PRO 249 Cb 0.38 -2.19 -0.07 0.00 -0.04 0.00 0.00 33.50 31.58 2pur n PRO 249 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2pur h ILE 250 N 1.00 0.78 -0.50 0.52 2.04 -1.25 -0.66 117.51 119.44 2pur h ILE 250 Ca 0.62 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.42 2pur h ILE 250 Cb 2.53 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 39.37 2pur h ILE 250 CO 1.16 0.00 0.05 -0.65 0.00 0.00 0.00 178.15 178.72 2pur h PRO 251 N -0.25 0.85 -0.20 2.37 0.11 -1.78 -2.65 132.00 130.45 2pur h PRO 251 Ca -0.01 -0.24 -0.12 0.00 0.11 0.00 0.00 66.00 65.74 2pur h PRO 251 Cb 0.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 2pur h PRO 251 CO 0.00 0.86 -0.39 -0.24 -0.21 0.00 0.00 178.00 178.02 2pur h VAL 252 N 0.72 1.30 -0.60 3.15 3.04 -1.76 0.25 116.25 122.35 2pur h VAL 252 Ca 0.15 -1.53 -0.06 0.00 -1.01 0.00 0.00 66.70 64.26 2pur h VAL 252 Cb 0.44 1.57 -0.02 0.00 -2.01 0.00 0.00 31.29 31.27 2pur h VAL 252 CO 0.02 0.47 0.15 0.11 -1.01 0.00 0.00 177.57 177.31 2pur h LYS 253 N 0.38 0.96 -0.39 4.17 1.57 -1.09 0.78 116.57 122.95 2pur h LYS 253 Ca 0.04 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2pur h LYS 253 Cb 0.85 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 2pur h LYS 253 CO 0.07 0.88 0.26 2.35 -0.57 0.00 0.00 179.45 182.44 2pur h TRP 254 N 0.87 0.49 -0.41 -1.35 7.01 -1.06 -1.44 115.95 120.06 2pur h TRP 254 Ca 0.19 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.22 2pur h TRP 254 Cb 0.35 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.22 2pur h TRP 254 CO 0.03 0.31 0.23 0.00 -2.79 0.00 0.00 178.44 176.21 2pur h ALA 255 N 1.14 0.51 -0.62 2.65 0.00 -0.62 -0.00 119.26 122.32 2pur h ALA 255 Ca 0.14 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2pur h ALA 255 Cb -0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2pur h ALA 255 CO -0.03 -0.11 0.34 0.00 0.00 0.00 0.00 179.25 179.45 2pur h LYS 257 N 0.65 0.79 -0.88 0.00 3.64 -0.84 0.11 116.57 120.05 2pur h LYS 257 Ca 0.27 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2pur h LYS 257 Cb 0.13 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 2pur h LYS 257 CO -0.16 0.74 0.47 1.49 -2.27 0.00 0.00 179.45 179.73 2pur h GLU 258 N 0.69 1.24 0.00 1.90 4.57 -0.48 -1.51 114.58 120.99 2pur h GLU 258 Ca 0.16 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2pur h GLU 258 Cb 0.28 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2pur h GLU 258 CO -0.00 0.91 0.00 1.28 -1.18 0.00 0.00 179.01 180.02 2pur n LEU 259 N -4.33 0.00 -0.06 1.64 4.77 -0.21 -4.89 117.00 113.93 2pur n LEU 259 Ca 0.09 0.07 -0.01 0.00 -0.03 0.00 0.00 56.01 56.13 2pur n LEU 259 Cb 0.11 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2pur n LEU 259 CO 0.39 -0.00 -0.01 0.61 -1.33 0.00 0.00 177.39 177.05 2pur n GLY 260 N 0.90 0.48 0.13 -0.72 0.00 -0.57 -4.93 105.19 100.49 2pur n GLY 260 Ca 0.20 -0.42 0.03 0.00 0.00 0.00 0.00 46.02 45.83 2pur n GLY 260 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pur h LEU 261 N 0.00 0.00 -8.49 0.99 3.38 -1.00 -3.46 115.31 106.73 2pur h LEU 261 Ca -0.02 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.64 2pur h LEU 261 Cb 0.10 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.68 2pur h LEU 261 CO 0.02 0.49 -0.73 0.68 0.09 0.00 0.00 178.44 178.99 2pur s VAL 262 N -2.97 0.97 0.13 1.22 -7.23 -1.17 -4.29 120.40 107.05 2pur s VAL 262 Ca 0.03 -1.74 -0.07 0.00 -1.81 0.00 0.00 61.98 58.39 2pur s VAL 262 Cb 0.08 -1.48 -0.16 0.00 0.56 0.00 0.00 36.38 35.37 2pur s VAL 262 CO 0.76 -0.62 1.32 0.00 -0.31 0.00 0.00 175.10 176.25 2pur h ALA 263 N 3.37 0.38 -2.50 1.32 0.00 -1.90 -3.39 119.26 116.54 2pur h ALA 263 Ca -0.37 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 53.75 2pur h ALA 263 Cb 1.19 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.79 2pur h ALA 263 CO 0.56 0.76 -0.63 0.95 0.00 0.00 0.00 179.25 180.89 2pur s THR 264 N -3.46 0.17 -0.27 0.00 -4.23 -1.26 -5.04 115.64 101.55 2pur s THR 264 Ca -0.07 -1.40 0.13 0.00 -1.18 0.00 0.00 61.69 59.17 2pur s THR 264 Cb 0.09 -1.08 0.77 0.00 1.34 0.00 0.00 72.50 73.61 2pur s THR 264 CO 0.88 -0.77 1.74 -0.90 -0.54 0.00 0.00 174.62 175.02 2pur n ASP 265 N 0.58 5.22 -4.75 3.99 5.75 -1.26 -4.52 116.55 121.56 2pur n ASP 265 Ca -0.17 -3.06 -0.42 0.00 -0.01 0.00 0.00 54.79 51.13 2pur n ASP 265 Cb 0.59 -0.70 -0.01 0.00 -1.03 0.00 0.00 41.12 39.98 2pur n ASP 265 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2pur n THR 266 N 0.21 1.45 -4.44 2.12 -1.04 -1.26 -4.75 114.28 106.57 2pur n THR 266 Ca 0.32 -0.36 -0.21 0.00 -2.04 0.00 0.00 64.05 61.75 2pur n THR 266 Cb 1.24 -1.93 -0.11 0.00 -1.82 0.00 0.00 70.33 67.71 2pur n THR 266 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2pur s LEU 267 N -1.10 2.30 -0.09 -4.42 1.02 -1.26 -4.43 118.68 110.69 2pur s LEU 267 Ca 0.59 -1.32 -0.10 0.00 0.02 0.00 0.00 54.13 53.33 2pur s LEU 267 Cb -0.50 -0.46 -0.05 0.00 0.02 0.00 0.00 46.19 45.20 2pur s LEU 267 CO 0.55 -0.53 0.23 -0.13 0.02 0.00 0.00 176.35 176.50 2pur s ARG 268 N -3.84 3.68 0.35 1.70 0.52 -1.26 -4.91 118.95 115.19 2pur s ARG 268 Ca 0.34 0.05 -0.27 0.00 -0.52 0.00 0.00 55.73 55.33 2pur s ARG 268 Cb 0.07 -3.23 -0.12 0.00 0.52 0.00 0.00 34.95 32.19 2pur s ARG 268 CO 0.14 0.69 1.13 1.28 0.02 0.00 0.00 175.30 178.56 2pur n LEU 269 N 2.13 2.78 -0.34 2.53 4.77 -1.26 -1.43 117.00 126.18 2pur n LEU 269 Ca -0.17 1.15 0.05 0.00 -0.03 0.00 0.00 56.01 57.00 2pur n LEU 269 Cb 0.54 -1.39 0.16 0.00 -2.33 0.00 0.00 43.42 40.40 2pur n LEU 269 CO 0.34 -1.03 0.62 -0.81 -1.33 0.00 0.00 177.39 175.18 2pur n PRO 270 N 0.48 1.44 -2.31 3.23 -0.04 -1.26 -4.97 135.00 131.57 2pur n PRO 270 Ca 0.07 -0.67 -0.41 0.00 -0.04 0.00 0.00 63.50 62.45 2pur n PRO 270 Cb 0.36 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 2pur n PRO 270 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2pur s MET 271 N -1.77 4.49 0.25 0.54 -1.94 -0.51 -5.05 119.30 115.32 2pur s MET 271 Ca 0.17 1.98 0.10 0.00 -1.71 0.00 0.00 55.69 56.24 2pur s MET 271 Cb 0.09 -3.16 -0.05 0.00 2.01 0.00 0.00 34.83 33.72 2pur s MET 271 CO 0.12 -0.02 -0.18 0.95 -0.01 0.00 0.00 175.02 175.88 2pur s THR 272 N -0.85 2.22 0.73 2.05 -4.23 -1.26 -4.54 115.64 109.75 2pur s THR 272 Ca 0.49 -2.33 -0.16 0.00 -1.18 0.00 0.00 61.69 58.50 2pur s THR 272 Cb -0.35 -2.21 0.03 0.00 1.34 0.00 0.00 72.50 71.31 2pur s THR 272 CO 0.44 -0.46 1.19 -2.65 -0.54 0.00 0.00 174.62 172.60 2pur n PRO 273 N -0.52 0.60 -1.82 3.99 -0.02 -1.26 -4.91 135.00 131.06 2pur n PRO 273 Ca -0.06 0.27 -0.40 0.00 -2.02 0.00 0.00 63.50 61.28 2pur n PRO 273 Cb 0.60 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.66 2pur n PRO 273 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2pur s ILE 274 N -1.78 2.09 0.71 4.25 2.07 -1.26 -4.99 121.20 122.29 2pur s ILE 274 Ca 0.77 0.09 -0.11 0.00 -1.41 0.00 0.00 60.65 59.99 2pur s ILE 274 Cb -0.34 -3.05 0.01 0.00 0.13 0.00 0.00 42.46 39.22 2pur s ILE 274 CO 0.47 0.02 1.06 0.42 -1.91 0.00 0.00 174.94 175.00 2pur s THR 275 N -1.16 3.93 0.22 4.00 -4.23 -1.26 -4.85 115.64 112.29 2pur s THR 275 Ca 0.56 0.63 -0.07 0.00 -1.18 0.00 0.00 61.69 61.63 2pur s THR 275 Cb -0.45 -3.33 0.17 0.00 1.34 0.00 0.00 72.50 70.23 2pur s THR 275 CO 0.60 -0.82 1.79 0.44 -0.54 0.00 0.00 174.62 176.09 2pur h ASP 276 N -0.76 0.49 -0.44 3.99 3.32 -2.00 0.39 116.42 121.40 2pur h ASP 276 Ca -0.44 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 2pur h ASP 276 Cb 1.21 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 2pur h ASP 276 CO 0.56 0.29 0.22 -1.28 -1.72 0.00 0.00 179.24 177.31 2pur h SER 277 N 0.63 0.56 -0.36 6.45 0.87 -2.00 -2.65 113.55 117.06 2pur h SER 277 Ca 0.34 -0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.86 2pur h SER 277 Cb 0.32 -0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 62.06 2pur h SER 277 CO -0.25 0.52 -0.19 1.23 -0.53 0.00 0.00 176.83 177.61 2pur h GLY 278 N 0.57 0.06 -0.11 5.77 0.00 -1.76 -1.61 103.07 105.99 2pur h GLY 278 Ca 0.15 0.24 0.11 0.00 0.00 0.00 0.00 47.33 47.83 2pur h GLY 278 CO -0.02 -0.19 -0.17 3.21 0.00 0.00 0.00 176.54 179.37 2pur h ARG 279 N -0.14 -0.04 -0.54 4.80 3.08 -0.61 -1.01 114.38 119.92 2pur h ARG 279 Ca 0.18 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 2pur h ARG 279 Cb 0.41 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2pur h ARG 279 CO -0.44 -0.03 -0.12 0.93 -1.07 0.00 0.00 179.97 179.24 2pur h GLU 280 N -0.04 1.04 -0.17 0.04 4.39 -1.17 0.12 114.58 118.78 2pur h GLU 280 Ca 0.25 -0.39 0.02 0.00 0.34 0.00 0.00 59.36 59.58 2pur h GLU 280 Cb 0.43 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 2pur h GLU 280 CO -0.56 1.09 0.03 1.15 -1.16 0.00 0.00 179.01 179.55 2pur h THR 281 N 0.91 0.91 -0.43 1.13 2.02 -0.97 -0.64 112.91 115.86 2pur h THR 281 Ca 0.14 -0.03 -0.15 0.00 0.77 0.00 0.00 66.41 67.14 2pur h THR 281 Cb 0.70 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2pur h THR 281 CO 0.05 0.02 -0.30 0.58 0.37 0.00 0.00 175.52 176.24 2pur h VAL 282 N 0.09 1.27 -0.61 3.16 2.07 -0.92 -2.13 116.25 119.18 2pur h VAL 282 Ca 0.08 -1.47 0.04 0.00 0.82 0.00 0.00 66.70 66.16 2pur h VAL 282 Cb 0.08 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2pur h VAL 282 CO -0.11 0.50 0.36 -0.09 0.02 0.00 0.00 177.57 178.24 2pur h ARG 283 N 0.79 0.67 -0.72 1.57 2.43 -0.66 -0.02 114.38 118.44 2pur h ARG 283 Ca 0.08 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2pur h ARG 283 Cb 0.89 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.25 2pur h ARG 283 CO 0.08 0.44 0.46 0.00 -1.51 0.00 0.00 179.97 179.44 2pur h ALA 284 N 1.29 0.95 -0.61 2.80 0.00 -0.94 -0.44 119.26 122.30 2pur h ALA 284 Ca 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2pur h ALA 284 Cb 0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2pur h ALA 284 CO -0.13 0.25 0.20 0.00 0.00 0.00 0.00 179.25 179.56 2pur h ALA 285 N 1.31 0.80 -0.81 0.00 0.00 -0.85 -0.84 119.26 118.87 2pur h ALA 285 Ca 0.29 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2pur h ALA 285 Cb 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2pur h ALA 285 CO -0.11 0.47 0.54 -0.07 0.00 0.00 0.00 179.25 180.08 2pur h LEU 286 N 0.88 0.93 -0.45 0.00 3.38 -0.62 -1.73 115.31 117.69 2pur h LEU 286 Ca 0.20 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 2pur h LEU 286 Cb 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2pur h LEU 286 CO -0.01 0.67 0.09 0.50 0.09 0.00 0.00 178.44 179.78 2pur h LYS 287 N 1.09 0.73 -0.41 1.13 1.63 -0.79 -1.60 116.57 118.35 2pur h LYS 287 Ca 0.30 -0.19 0.02 0.00 -0.85 0.00 0.00 60.65 59.93 2pur h LYS 287 Cb -0.12 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.40 2pur h LYS 287 CO -0.07 0.74 0.28 1.25 -3.45 0.00 0.00 179.45 178.20 2pur h HIS 288 N 0.60 0.46 -0.00 1.91 -0.00 -0.90 -0.21 115.15 117.01 2pur h HIS 288 Ca 0.14 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 2pur h HIS 288 Cb 0.35 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 2pur h HIS 288 CO 0.02 0.27 -0.01 0.00 -0.00 0.00 0.00 177.93 178.21 2pur n ALA 289 N -2.49 2.52 -1.32 5.26 0.00 -0.67 -4.85 120.51 118.95 2pur n ALA 289 Ca 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 2pur n ALA 289 Cb 0.12 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 2pur n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pur n GLY 290 N 1.28 0.49 0.01 0.00 0.00 -0.09 -4.94 105.19 101.95 2pur n GLY 290 Ca 0.14 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.35 2pur n GLY 290 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pur n LEU 291 N -0.31 0.68 -0.82 0.99 4.77 -0.64 -5.03 117.00 116.63 2pur n LEU 291 Ca -0.03 -0.15 0.13 0.00 -0.03 0.00 0.00 56.01 55.93 2pur n LEU 291 Cb 0.20 -0.11 0.22 0.00 -2.33 0.00 0.00 43.42 41.39 2pur n LEU 291 CO 0.04 0.12 0.70 0.18 -1.33 0.00 0.00 177.39 177.10