#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyf s VAL 2 N 0.00 3.88 -0.19 1.61 1.01 -1.26 -3.37 120.40 122.08 2pyf s VAL 2 Ca 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2pyf s VAL 2 Cb 0.00 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.67 2pyf s VAL 2 CO 0.00 0.45 -0.18 -0.89 0.00 0.00 0.00 175.10 174.48 2pyf s THR 3 N 0.85 2.03 -0.03 3.92 2.01 0.00 -4.53 115.64 119.89 2pyf s THR 3 Ca 0.00 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 60.98 2pyf s THR 3 Cb -0.14 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 2pyf s THR 3 CO 0.02 0.45 0.05 -1.10 -0.69 0.00 0.00 174.62 173.34 2pyf s GLN 4 N 1.28 3.02 -0.09 4.92 -0.21 -1.26 -1.97 119.66 125.35 2pyf s GLN 4 Ca 0.03 -0.46 -0.08 0.00 0.02 0.00 0.00 55.36 54.87 2pyf s GLN 4 Cb -0.14 -2.83 0.02 0.00 1.00 0.00 0.00 33.01 31.06 2pyf s GLN 4 CO -0.12 0.67 0.23 0.95 -2.12 0.00 0.00 175.29 174.90 2pyf s THR 5 N -1.08 -0.00 0.63 -0.19 -4.23 -0.92 -4.46 115.64 105.38 2pyf s THR 5 Ca 0.19 0.02 -0.07 0.00 -1.18 0.00 0.00 61.69 60.65 2pyf s THR 5 Cb -0.12 -0.33 0.02 0.00 1.34 0.00 0.00 72.50 73.42 2pyf s THR 5 CO 0.09 0.01 0.95 -2.16 -0.54 0.00 0.00 174.62 172.97 2pyf s PRO 6 N 0.26 2.76 0.18 3.99 0.04 -1.26 -0.77 135.00 140.18 2pyf s PRO 6 Ca -0.01 -0.00 0.09 0.00 0.04 0.00 0.00 61.00 61.12 2pyf s PRO 6 Cb -0.03 -2.22 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 2pyf s PRO 6 CO -0.01 -0.86 1.37 0.87 0.04 0.00 0.00 177.00 178.41 2pyf h LYS 7 N -0.33 0.00 -4.05 4.56 1.79 -1.80 -3.41 116.57 113.34 2pyf h LYS 7 Ca -0.45 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 57.76 2pyf h LYS 7 Cb 1.27 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.65 2pyf h LYS 7 CO 0.61 0.85 -0.73 -0.06 -1.08 0.00 0.00 179.45 179.04 2pyf s PHE 8 N -2.90 0.26 -0.21 -1.35 0.08 -1.26 -0.43 117.98 112.17 2pyf s PHE 8 Ca 0.01 -0.16 -0.24 0.00 0.12 0.00 0.00 56.93 56.67 2pyf s PHE 8 Cb 0.10 -0.17 0.06 0.00 -0.57 0.00 0.00 43.02 42.44 2pyf s PHE 8 CO 0.80 -0.04 0.64 -1.14 -0.10 0.00 0.00 175.22 175.38 2pyf s GLN 9 N -0.42 0.80 -0.19 0.44 2.00 -0.37 -4.92 119.66 117.00 2pyf s GLN 9 Ca -0.03 0.78 0.01 0.00 -2.00 0.00 0.00 55.36 54.13 2pyf s GLN 9 Cb -0.03 0.39 0.03 0.00 0.80 0.00 0.00 33.01 34.19 2pyf s GLN 9 CO -0.00 -0.13 -0.18 0.08 -0.50 0.00 0.00 175.29 174.57 2pyf s VAL 10 N 0.08 1.98 0.18 1.34 1.01 -1.26 -1.75 120.40 121.99 2pyf s VAL 10 Ca -0.02 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.07 2pyf s VAL 10 Cb -0.04 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2pyf s VAL 10 CO 0.02 0.45 -0.07 -0.76 0.00 0.00 0.00 175.10 174.73 2pyf s LEU 11 N 1.30 3.05 -0.17 3.92 1.43 0.27 -4.96 118.68 123.53 2pyf s LEU 11 Ca 0.03 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.51 2pyf s LEU 11 Cb -0.14 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.31 2pyf s LEU 11 CO -0.12 0.10 0.12 -0.75 0.23 0.00 0.00 176.35 175.93 2pyf s LYS 12 N -2.86 3.88 -0.19 1.70 2.36 -1.26 -0.17 119.74 123.19 2pyf s LYS 12 Ca 0.25 -0.21 -0.40 0.00 -2.55 0.00 0.00 55.97 53.06 2pyf s LYS 12 Cb -0.09 -3.30 -0.17 0.00 -1.05 0.00 0.00 37.83 33.22 2pyf s LYS 12 CO 0.16 0.47 1.54 2.41 1.55 0.00 0.00 175.35 181.48 2pyf n THR 13 N 2.97 0.14 0.00 3.43 -1.04 0.32 -1.35 114.28 118.76 2pyf n THR 13 Ca -0.17 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 2pyf n THR 13 Cb 0.53 -0.87 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 2pyf n THR 13 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2pyf n GLY 14 N 3.44 2.11 3.74 3.41 0.00 0.91 -4.95 105.19 113.86 2pyf n GLY 14 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 2pyf n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pyf s GLN 15 N -0.08 1.82 0.27 1.61 -0.21 -0.46 -3.97 119.66 118.64 2pyf s GLN 15 Ca 0.00 1.09 0.06 0.00 0.02 0.00 0.00 55.36 56.53 2pyf s GLN 15 Cb 0.00 -1.85 -0.03 0.00 1.00 0.00 0.00 33.01 32.13 2pyf s GLN 15 CO 0.00 -1.93 0.31 -1.54 -2.12 0.00 0.00 175.29 170.01 2pyf s SER 16 N -3.34 5.86 -0.11 5.90 1.04 -1.21 -0.80 113.70 121.04 2pyf s SER 16 Ca 0.62 -0.15 -0.30 0.00 0.48 0.00 0.00 55.95 56.60 2pyf s SER 16 Cb -0.18 -1.50 0.10 0.00 0.10 0.00 0.00 66.02 64.54 2pyf s SER 16 CO 0.57 -0.14 0.87 -0.32 0.98 0.00 0.00 173.24 175.19 2pyf s MET 17 N -3.96 0.79 -0.09 4.02 1.75 -0.60 -5.00 119.30 116.20 2pyf s MET 17 Ca 0.36 0.18 0.01 0.00 -1.25 0.00 0.00 55.69 54.99 2pyf s MET 17 Cb -0.08 0.37 0.02 0.00 2.84 0.00 0.00 34.83 37.98 2pyf s MET 17 CO 0.28 -0.25 -0.10 0.99 -0.65 0.00 0.00 175.02 175.28 2pyf s THR 18 N -1.20 1.11 -0.15 10.11 2.01 -1.26 -1.14 115.64 125.12 2pyf s THR 18 Ca -0.05 -0.40 -0.12 0.00 0.31 0.00 0.00 61.69 61.43 2pyf s THR 18 Cb -0.00 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 2pyf s THR 18 CO 0.05 0.37 0.24 -0.76 -0.69 0.00 0.00 174.62 173.82 2pyf s LEU 19 N 1.21 4.27 0.15 4.42 1.43 0.53 -4.78 118.68 125.91 2pyf s LEU 19 Ca -0.04 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 2pyf s LEU 19 Cb -0.14 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 2pyf s LEU 19 CO -0.03 0.18 0.30 -1.10 0.23 0.00 0.00 176.35 175.93 2pyf s GLN 20 N 0.12 3.46 -0.23 1.70 -1.52 0.05 -0.94 119.66 122.30 2pyf s GLN 20 Ca 0.15 -0.51 -0.10 0.00 -1.95 0.00 0.00 55.36 52.94 2pyf s GLN 20 Cb -0.13 -2.95 0.09 0.00 -0.22 0.00 0.00 33.01 29.81 2pyf s GLN 20 CO 0.03 0.51 0.53 0.00 -0.25 0.00 0.00 175.29 176.11 2pyf s ALA 22 N 2.14 0.58 -0.05 0.00 0.00 -0.83 -1.73 121.76 121.86 2pyf s ALA 22 Ca -0.07 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 50.73 2pyf s ALA 22 Cb -0.09 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.23 2pyf s ALA 22 CO -0.16 -0.24 0.24 1.14 0.00 0.00 0.00 175.76 176.74 2pyf s GLN 23 N -3.07 0.45 -0.19 0.00 1.03 -0.70 -0.81 119.66 116.36 2pyf s GLN 23 Ca 0.01 0.00 0.16 0.00 0.04 0.00 0.00 55.36 55.58 2pyf s GLN 23 Cb 0.01 0.20 0.50 0.00 0.03 0.00 0.00 33.01 33.75 2pyf s GLN 23 CO -0.05 -0.10 1.40 -0.40 -2.54 0.00 0.00 175.29 173.60 2pyf n ASP 24 N 2.10 3.57 -0.75 12.60 5.68 -1.22 -4.52 116.55 134.02 2pyf n ASP 24 Ca -0.18 -3.11 0.13 0.00 -0.50 0.00 0.00 54.79 51.12 2pyf n ASP 24 Cb 0.57 -0.55 0.25 0.00 -1.14 0.00 0.00 41.12 40.25 2pyf n ASP 24 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2pyf n MET 25 N -0.68 1.99 -3.36 0.11 2.81 -1.26 -4.83 117.12 111.90 2pyf n MET 25 Ca 0.22 -1.50 -0.19 0.00 -1.81 0.00 0.00 57.70 54.43 2pyf n MET 25 Cb 0.89 -1.47 0.06 0.00 -0.71 0.00 0.00 33.22 31.99 2pyf n MET 25 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2pyf n ASN 26 N 0.80 -5.47 -4.76 7.83 5.03 -1.26 -5.00 115.26 112.42 2pyf n ASN 26 Ca 0.15 -0.42 -0.40 0.00 0.87 0.00 0.00 54.58 54.79 2pyf n ASN 26 Cb 0.50 -4.08 -0.06 0.00 -1.02 0.00 0.00 39.78 35.12 2pyf n ASN 26 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2pyf s HIS 27 N -3.25 3.84 -0.08 3.10 3.76 -1.26 -4.92 115.29 116.48 2pyf s HIS 27 Ca 0.46 1.58 0.14 0.00 -0.15 0.00 0.00 55.06 57.09 2pyf s HIS 27 Cb -0.20 -2.80 -0.09 0.00 1.11 0.00 0.00 32.58 30.60 2pyf s HIS 27 CO 0.57 0.41 1.12 0.93 -0.85 0.00 0.00 174.74 176.93 2pyf h GLU 28 N 4.87 0.00 -5.45 1.40 3.07 -1.85 -3.45 114.58 113.17 2pyf h GLU 28 Ca -0.46 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 57.80 2pyf h GLU 28 Cb 1.21 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 29.01 2pyf h GLU 28 CO 0.68 0.52 -0.41 -0.47 -1.40 0.00 0.00 179.01 177.93 2pyf s TYR 29 N -2.86 3.47 -0.01 4.33 5.04 -1.07 -2.14 117.35 124.11 2pyf s TYR 29 Ca 0.00 0.49 -0.06 0.00 -2.44 0.00 0.00 57.07 55.06 2pyf s TYR 29 Cb 0.08 -2.21 0.00 0.00 0.35 0.00 0.00 41.96 40.19 2pyf s TYR 29 CO 0.79 0.35 0.13 -1.64 -1.34 0.00 0.00 175.55 173.84 2pyf s MET 30 N 0.13 0.41 0.14 4.97 -1.94 -0.57 -2.27 119.30 120.17 2pyf s MET 30 Ca 0.13 -0.28 -0.16 0.00 -1.71 0.00 0.00 55.69 53.67 2pyf s MET 30 Cb -0.12 0.17 0.03 0.00 2.01 0.00 0.00 34.83 36.92 2pyf s MET 30 CO 0.02 -0.09 0.41 -1.54 -0.01 0.00 0.00 175.02 173.81 2pyf s SER 31 N -1.07 -0.22 -0.06 3.03 1.04 0.04 -0.55 113.70 115.90 2pyf s SER 31 Ca -0.12 -0.39 0.06 0.00 0.48 0.00 0.00 55.95 55.98 2pyf s SER 31 Cb -0.06 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 2pyf s SER 31 CO 0.01 -0.89 -0.24 0.26 0.98 0.00 0.00 173.24 173.36 2pyf s TRP 32 N -3.83 2.32 0.16 5.02 0.52 -0.63 -1.64 118.94 120.86 2pyf s TRP 32 Ca 0.05 -0.71 0.06 0.00 0.02 0.00 0.00 56.10 55.52 2pyf s TRP 32 Cb 0.01 -1.53 -0.04 0.00 -1.15 0.00 0.00 33.47 30.76 2pyf s TRP 32 CO -0.10 -0.23 -0.14 0.71 0.02 0.00 0.00 176.95 177.22 2pyf s TYR 33 N -0.08 1.49 -0.02 -1.98 2.02 0.43 -0.15 117.35 119.07 2pyf s TYR 33 Ca -0.05 -0.60 0.05 0.00 -0.37 0.00 0.00 57.07 56.10 2pyf s TYR 33 Cb -0.14 -0.74 -0.01 0.00 -0.40 0.00 0.00 41.96 40.67 2pyf s TYR 33 CO 0.04 0.21 -0.16 -0.98 -1.57 0.00 0.00 175.55 173.08 2pyf s ARG 34 N -3.22 1.38 -0.15 -0.62 1.70 -0.86 -0.71 118.95 116.47 2pyf s ARG 34 Ca 0.15 -0.58 0.01 0.00 -0.47 0.00 0.00 55.73 54.85 2pyf s ARG 34 Cb -0.02 -1.31 0.00 0.00 -0.57 0.00 0.00 34.95 33.05 2pyf s ARG 34 CO 0.04 0.33 -0.19 -1.14 -1.08 0.00 0.00 175.30 173.26 2pyf s GLN 35 N -0.30 3.12 0.04 3.89 0.74 0.43 -1.56 119.66 126.02 2pyf s GLN 35 Ca 0.04 -0.80 0.06 0.00 0.05 0.00 0.00 55.36 54.71 2pyf s GLN 35 Cb -0.07 -2.52 -0.02 0.00 1.10 0.00 0.00 33.01 31.49 2pyf s GLN 35 CO -0.00 0.01 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.07 2pyf s ASP 36 N 0.79 2.06 0.09 6.67 1.01 -1.17 -3.28 116.67 122.84 2pyf s ASP 36 Ca -0.07 -0.48 -0.36 0.00 0.71 0.00 0.00 52.55 52.35 2pyf s ASP 36 Cb -0.16 -0.16 -0.16 0.00 1.01 0.00 0.00 42.92 43.46 2pyf s ASP 36 CO -0.01 0.10 1.41 -2.65 0.21 0.00 0.00 175.17 174.24 2pyf n PRO 37 N 1.92 1.40 -2.77 8.23 -0.02 -1.26 -1.70 135.00 140.79 2pyf n PRO 37 Ca -0.17 0.50 -0.19 0.00 -2.02 0.00 0.00 63.50 61.62 2pyf n PRO 37 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2pyf n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pyf n GLY 38 N 2.79 -0.50 0.00 -1.23 0.00 -1.26 -4.77 105.19 100.22 2pyf n GLY 38 Ca 0.18 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2pyf n GLY 38 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2pyf n MET 39 N -3.37 0.00 0.00 1.61 0.00 -0.69 -5.17 117.12 109.50 2pyf n MET 39 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.54 2pyf n MET 39 Cb 0.62 -0.24 0.00 0.00 0.00 0.00 0.00 33.22 33.60 2pyf n MET 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2pyf n GLY 40 N 0.00 0.46 3.63 -5.12 0.00 -1.09 -4.71 105.19 98.37 2pyf n GLY 40 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2pyf n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyf s LEU 41 N 0.00 4.06 -0.18 0.99 1.43 -1.26 -3.06 118.68 120.65 2pyf s LEU 41 Ca 0.00 0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 54.02 2pyf s LEU 41 Cb 0.00 -3.25 0.01 0.00 0.03 0.00 0.00 46.19 42.98 2pyf s LEU 41 CO 0.00 -0.65 -0.16 -0.13 0.23 0.00 0.00 176.35 175.65 2pyf s ARG 42 N 3.09 3.13 0.12 1.70 0.52 -0.60 -4.95 118.95 121.95 2pyf s ARG 42 Ca 0.37 -0.77 -0.31 0.00 -0.52 0.00 0.00 55.73 54.50 2pyf s ARG 42 Cb -0.14 -2.67 -0.09 0.00 0.52 0.00 0.00 34.95 32.57 2pyf s ARG 42 CO 0.11 -0.14 1.54 -1.17 0.02 0.00 0.00 175.30 175.66 2pyf s LEU 43 N 1.19 4.36 -0.13 2.53 2.96 -1.26 -2.04 118.68 126.30 2pyf s LEU 43 Ca 0.02 2.48 -0.10 0.00 -0.22 0.00 0.00 54.13 56.31 2pyf s LEU 43 Cb -0.14 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 2pyf s LEU 43 CO -0.07 -0.80 -0.19 -0.38 -1.32 0.00 0.00 176.35 173.59 2pyf n ILE 44 N 4.23 1.21 -4.05 6.68 5.41 0.79 0.31 119.36 133.94 2pyf n ILE 44 Ca 0.14 0.24 -0.10 0.00 1.00 0.00 0.00 62.75 64.03 2pyf n ILE 44 Cb 0.40 -2.24 -0.08 0.00 -0.71 0.00 0.00 39.64 37.01 2pyf n ILE 44 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2pyf s HIS 45 N -2.22 0.62 0.08 1.39 3.76 -1.24 0.36 115.29 118.04 2pyf s HIS 45 Ca -0.16 -0.98 -0.18 0.00 -0.15 0.00 0.00 55.06 53.59 2pyf s HIS 45 Cb 0.02 -0.24 0.04 0.00 1.11 0.00 0.00 32.58 33.51 2pyf s HIS 45 CO 0.24 -0.64 0.42 1.52 -0.85 0.00 0.00 174.74 175.42 2pyf s TYR 46 N -4.01 -0.26 -0.04 1.40 -0.85 -0.07 -1.61 117.35 111.92 2pyf s TYR 46 Ca 0.21 0.12 0.01 0.00 -0.52 0.00 0.00 57.07 56.89 2pyf s TYR 46 Cb 0.05 0.24 0.02 0.00 0.38 0.00 0.00 41.96 42.66 2pyf s TYR 46 CO 0.02 -0.63 -0.03 0.45 -1.52 0.00 0.00 175.55 173.84 2pyf s SER 47 N -2.31 0.72 0.00 -0.18 0.15 0.28 0.53 113.70 112.90 2pyf s SER 47 Ca -0.02 -0.09 0.25 0.00 0.70 0.00 0.00 55.95 56.79 2pyf s SER 47 Cb 0.00 -0.36 0.59 0.00 -1.71 0.00 0.00 66.02 64.54 2pyf s SER 47 CO -0.06 -0.07 1.47 1.33 1.20 0.00 0.00 173.24 177.12 2pyf n VAL 48 N 4.04 0.00 -0.87 4.45 0.24 -1.26 -1.51 118.33 123.43 2pyf n VAL 48 Ca -0.26 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2pyf n VAL 48 Cb 0.51 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 2pyf n VAL 48 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pyf n GLY 49 N 1.50 -1.44 3.77 7.63 0.00 -0.91 -4.25 105.19 111.49 2pyf n GLY 49 Ca 0.06 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 2pyf n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pyf s ALA 50 N -1.73 3.30 0.00 4.61 0.00 -1.26 -3.14 121.76 123.54 2pyf s ALA 50 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.03 2pyf s ALA 50 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2pyf s ALA 50 CO 0.00 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.64 2pyf n GLY 51 N 0.78 0.69 2.96 0.00 0.00 0.41 -5.01 105.19 105.02 2pyf n GLY 51 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2pyf n GLY 51 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2pyf s THR 52 N -2.80 -0.03 0.04 2.61 -1.32 -1.19 -5.00 115.64 107.96 2pyf s THR 52 Ca 0.00 0.10 -0.04 0.00 -1.21 0.00 0.00 61.69 60.54 2pyf s THR 52 Cb 0.00 -0.22 -0.02 0.00 -1.51 0.00 0.00 72.50 70.75 2pyf s THR 52 CO 0.00 0.04 0.05 0.42 -2.21 0.00 0.00 174.62 172.92 2pyf s THR 53 N 0.68 0.15 0.03 5.08 -4.23 -1.26 -4.05 115.64 112.04 2pyf s THR 53 Ca -0.05 -1.24 -0.01 0.00 -1.18 0.00 0.00 61.69 59.21 2pyf s THR 53 Cb -0.07 -0.98 -0.02 0.00 1.34 0.00 0.00 72.50 72.77 2pyf s THR 53 CO -0.03 -0.69 -0.01 -1.81 -0.54 0.00 0.00 174.62 171.54 2pyf s ASP 54 N -2.26 0.29 0.40 3.99 1.01 0.19 -4.97 116.67 115.31 2pyf s ASP 54 Ca -0.03 -0.61 -0.23 0.00 0.71 0.00 0.00 52.55 52.39 2pyf s ASP 54 Cb 0.00 0.14 -0.10 0.00 1.01 0.00 0.00 42.92 43.97 2pyf s ASP 54 CO -0.06 -0.39 0.99 -1.10 0.21 0.00 0.00 175.17 174.82 2pyf s GLN 55 N -2.13 4.25 0.00 8.23 -0.21 -1.26 -0.89 119.66 127.65 2pyf s GLN 55 Ca -0.10 1.32 0.00 0.00 0.02 0.00 0.00 55.36 56.60 2pyf s GLN 55 Cb -0.05 -2.44 0.00 0.00 1.00 0.00 0.00 33.01 31.52 2pyf s GLN 55 CO -0.03 -0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.51 2pyf n GLY 56 N 0.01 2.49 0.20 3.09 0.00 0.16 -4.80 105.19 106.33 2pyf n GLY 56 Ca 0.05 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.10 2pyf n GLY 56 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2pyf h GLU 57 N 0.00 0.63 -2.38 1.61 4.81 -0.33 -3.39 114.58 115.53 2pyf h GLU 57 Ca 0.00 -0.38 -0.59 0.00 -0.13 0.00 0.00 59.36 58.26 2pyf h GLU 57 Cb 0.00 0.04 -0.40 0.00 0.63 0.00 0.00 28.75 29.02 2pyf h GLU 57 CO 0.00 1.00 -0.86 1.33 -0.73 0.00 0.00 179.01 179.75 2pyf n VAL 58 N -4.26 0.21 0.43 0.32 0.24 -0.77 -4.94 118.33 109.56 2pyf n VAL 58 Ca -0.05 -4.24 0.12 0.00 -2.04 0.00 0.00 64.34 58.14 2pyf n VAL 58 Cb 0.51 -1.94 0.27 0.00 -1.47 0.00 0.00 33.84 31.22 2pyf n VAL 58 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2pyf h PRO 59 N 4.84 0.00 -6.64 7.34 0.13 -1.77 -3.42 132.00 132.49 2pyf h PRO 59 Ca 0.17 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.78 2pyf h PRO 59 Cb 0.82 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.01 2pyf h PRO 59 CO 0.56 0.00 1.01 0.09 -0.23 0.00 0.00 178.00 179.43 2pyf n ASN 60 N -2.61 3.97 0.00 1.44 5.03 -1.26 -2.05 115.26 119.78 2pyf n ASN 60 Ca 0.05 1.06 0.00 0.00 0.87 0.00 0.00 54.58 56.55 2pyf n ASN 60 Cb 0.48 -1.57 0.00 0.00 -1.02 0.00 0.00 39.78 37.67 2pyf n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2pyf n GLY 61 N 3.97 0.98 3.28 7.41 0.00 -1.26 -5.05 105.19 114.52 2pyf n GLY 61 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 2pyf n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pyf s TYR 62 N -2.70 1.66 0.03 1.61 2.02 -0.87 -4.34 117.35 114.76 2pyf s TYR 62 Ca 0.00 -0.48 0.02 0.00 -0.37 0.00 0.00 57.07 56.24 2pyf s TYR 62 Cb 0.00 -0.87 -0.02 0.00 -0.40 0.00 0.00 41.96 40.67 2pyf s TYR 62 CO 0.00 0.23 -0.07 -0.80 -1.57 0.00 0.00 175.55 173.34 2pyf s ASN 63 N -2.33 0.73 0.17 2.29 0.02 -0.24 -4.96 114.94 110.62 2pyf s ASN 63 Ca 0.10 -0.44 -0.01 0.00 -1.02 0.00 0.00 52.86 51.49 2pyf s ASN 63 Cb -0.07 0.02 -0.04 0.00 0.02 0.00 0.00 41.25 41.18 2pyf s ASN 63 CO 0.05 -0.15 0.09 0.68 0.02 0.00 0.00 177.10 177.79 2pyf s VAL 64 N -1.10 0.06 -0.02 1.60 -7.23 -1.26 0.24 120.40 112.68 2pyf s VAL 64 Ca -0.08 -1.96 -0.24 0.00 -1.81 0.00 0.00 61.98 57.89 2pyf s VAL 64 Cb -0.08 -2.29 0.05 0.00 0.56 0.00 0.00 36.38 34.63 2pyf s VAL 64 CO 0.00 -0.22 0.54 -0.94 -0.31 0.00 0.00 175.10 174.17 2pyf s SER 65 N -3.11 -0.47 -0.42 4.85 1.04 -1.25 -5.03 113.70 109.31 2pyf s SER 65 Ca 0.32 0.43 0.06 0.00 0.48 0.00 0.00 55.95 57.24 2pyf s SER 65 Cb 0.07 0.46 0.21 0.00 0.10 0.00 0.00 66.02 66.86 2pyf s SER 65 CO 0.07 -0.57 0.45 -1.14 0.98 0.00 0.00 173.24 173.03 2pyf n ARG 66 N 0.96 0.58 0.09 4.02 3.00 -1.26 -4.02 116.66 120.03 2pyf n ARG 66 Ca -0.20 -3.30 -0.13 0.00 -0.00 0.00 0.00 57.85 54.22 2pyf n ARG 66 Cb 0.57 -1.50 -0.11 0.00 0.00 0.00 0.00 32.46 31.42 2pyf n ARG 66 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2pyf h SER 67 N 4.80 0.35 -3.28 6.15 4.64 -1.94 1.18 113.55 125.45 2pyf h SER 67 Ca 0.17 -0.36 -0.64 0.00 -0.47 0.00 0.00 61.79 60.49 2pyf h SER 67 Cb 0.88 -0.11 -0.19 0.00 -0.31 0.00 0.00 62.40 62.67 2pyf h SER 67 CO 0.44 1.25 -0.82 0.42 -0.87 0.00 0.00 176.83 177.25 2pyf s THR 68 N -2.79 2.29 0.19 2.95 -4.23 -1.26 -4.59 115.64 108.19 2pyf s THR 68 Ca -0.03 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.41 2pyf s THR 68 Cb 0.08 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.84 2pyf s THR 68 CO 0.87 -0.12 1.57 -0.29 -0.54 0.00 0.00 174.62 176.10 2pyf h ILE 69 N 3.26 1.28 -0.83 2.99 2.10 -1.92 -3.27 117.51 121.11 2pyf h ILE 69 Ca -0.46 -1.45 0.03 0.00 1.08 0.00 0.00 64.86 64.05 2pyf h ILE 69 Cb 1.21 1.31 -0.05 0.00 -1.09 0.00 0.00 36.82 38.19 2pyf h ILE 69 CO 0.47 0.48 0.53 -0.33 -1.08 0.00 0.00 178.15 178.23 2pyf h GLU 70 N 0.69 1.01 -6.28 2.19 3.07 -1.87 -3.46 114.58 109.93 2pyf h GLU 70 Ca 0.08 -0.06 -0.58 0.00 -0.50 0.00 0.00 59.36 58.30 2pyf h GLU 70 Cb 0.85 -0.23 -0.10 0.00 -0.84 0.00 0.00 28.75 28.42 2pyf h GLU 70 CO 0.07 0.67 -0.66 -0.51 -1.40 0.00 0.00 179.01 177.19 2pyf s ASP 71 N -5.87 4.61 -0.47 1.42 -0.00 -1.24 -1.73 116.67 113.40 2pyf s ASP 71 Ca -0.13 -0.54 0.07 0.00 -0.00 0.00 0.00 52.55 51.95 2pyf s ASP 71 Cb 0.17 -0.90 0.18 0.00 -0.00 0.00 0.00 42.92 42.37 2pyf s ASP 71 CO 0.79 0.04 0.64 0.12 -0.00 0.00 0.00 175.17 176.77 2pyf s PHE 72 N -2.03 -1.32 0.44 4.23 5.36 -0.70 -4.59 117.98 119.36 2pyf s PHE 72 Ca 0.29 -0.53 -0.20 0.00 -0.96 0.00 0.00 56.93 55.53 2pyf s PHE 72 Cb -0.08 0.16 -0.11 0.00 -0.34 0.00 0.00 43.02 42.66 2pyf s PHE 72 CO 0.19 -1.19 0.96 -1.25 -1.46 0.00 0.00 175.22 172.47 2pyf s PRO 73 N 1.09 4.18 -0.16 10.12 0.05 -1.26 -4.13 135.00 144.90 2pyf s PRO 73 Ca 0.26 1.12 -0.02 0.00 0.05 0.00 0.00 61.00 62.40 2pyf s PRO 73 Cb -0.02 -2.17 -0.02 0.00 0.05 0.00 0.00 34.50 32.34 2pyf s PRO 73 CO -0.07 -0.08 -0.08 -1.17 0.05 0.00 0.00 177.00 175.65 2pyf s LEU 74 N -3.29 2.93 -0.05 -3.56 2.96 -0.11 -3.75 118.68 113.81 2pyf s LEU 74 Ca 0.62 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 2pyf s LEU 74 Cb -0.09 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 2pyf s LEU 74 CO 0.15 0.13 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.54 2pyf s ARG 75 N 0.56 2.51 -0.25 1.98 6.06 0.14 -0.35 118.95 129.60 2pyf s ARG 75 Ca -0.05 -0.77 0.02 0.00 -2.50 0.00 0.00 55.73 52.42 2pyf s ARG 75 Cb -0.15 -2.30 0.06 0.00 0.06 0.00 0.00 34.95 32.62 2pyf s ARG 75 CO 0.03 0.54 -0.06 -0.51 -2.50 0.00 0.00 175.30 172.80 2pyf s LEU 76 N -0.53 2.95 -0.03 -0.88 1.02 -0.29 -1.08 118.68 119.84 2pyf s LEU 76 Ca 0.07 -1.31 -0.13 0.00 0.02 0.00 0.00 54.13 52.78 2pyf s LEU 76 Cb -0.11 -1.30 -0.07 0.00 0.02 0.00 0.00 46.19 44.72 2pyf s LEU 76 CO 0.01 -0.24 0.62 -0.07 0.02 0.00 0.00 176.35 176.69 2pyf h LEU 77 N 7.88 -0.40 -7.52 1.79 -0.00 -1.84 -1.59 115.31 113.63 2pyf h LEU 77 Ca -0.17 0.01 -0.68 0.00 -0.00 0.00 0.00 57.88 57.04 2pyf h LEU 77 Cb 1.06 0.10 -0.37 0.00 -0.00 0.00 0.00 40.66 41.46 2pyf h LEU 77 CO 0.43 -0.05 -0.42 -0.44 -0.00 0.00 0.00 178.44 177.96 2pyf s SER 78 N -4.47 5.03 0.09 -0.43 0.01 -1.26 -3.34 113.70 109.34 2pyf s SER 78 Ca -0.07 -2.91 -0.36 0.00 1.31 0.00 0.00 55.95 53.93 2pyf s SER 78 Cb 0.01 -1.81 -0.15 0.00 0.21 0.00 0.00 66.02 64.28 2pyf s SER 78 CO 0.21 -0.33 1.47 0.00 0.41 0.00 0.00 173.24 175.00 2pyf n ALA 79 N 3.38 0.07 -2.46 1.44 0.00 0.02 -4.67 120.51 118.29 2pyf n ALA 79 Ca 0.07 0.48 -0.30 0.00 0.00 0.00 0.00 53.44 53.69 2pyf n ALA 79 Cb 0.36 -2.21 -0.12 0.00 0.00 0.00 0.00 19.45 17.48 2pyf n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pyf s ALA 80 N 0.91 2.59 0.44 0.00 0.00 -1.26 -0.06 121.76 124.39 2pyf s ALA 80 Ca 0.83 -1.29 0.20 0.00 0.00 0.00 0.00 51.96 51.70 2pyf s ALA 80 Cb -0.84 -0.65 1.17 0.00 0.00 0.00 0.00 23.12 22.80 2pyf s ALA 80 CO 0.44 0.58 1.86 -1.35 0.00 0.00 0.00 175.76 177.29 2pyf h PRO 81 N 4.14 0.31 0.00 0.00 0.11 -1.94 0.80 132.00 135.42 2pyf h PRO 81 Ca -0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2pyf h PRO 81 Cb 1.16 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2pyf h PRO 81 CO 0.46 0.21 -0.07 0.66 -0.21 0.00 0.00 178.00 179.04 2pyf h SER 82 N 0.32 0.00 0.27 -2.05 4.64 -1.95 -2.52 113.55 112.26 2pyf h SER 82 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2pyf h SER 82 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2pyf h SER 82 CO -0.14 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 2pyf n GLN 83 N -3.34 0.52 -1.70 4.77 6.02 0.27 -4.79 117.38 119.14 2pyf n GLN 83 Ca -0.01 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.59 2pyf n GLN 83 Cb 0.24 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 2pyf n GLN 83 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2pyf s THR 84 N -2.34 3.07 0.03 5.09 2.01 -0.95 -4.87 115.64 117.68 2pyf s THR 84 Ca 0.29 0.09 -0.07 0.00 0.31 0.00 0.00 61.69 62.31 2pyf s THR 84 Cb 0.17 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.64 2pyf s THR 84 CO 0.34 -0.01 0.30 -0.24 -0.69 0.00 0.00 174.62 174.32 2pyf n SER 85 N 7.82 -0.41 -4.26 3.53 2.88 -0.14 -4.98 113.62 118.05 2pyf n SER 85 Ca 0.20 -1.17 -0.34 0.00 -1.33 0.00 0.00 58.87 56.23 2pyf n SER 85 Cb 0.42 0.65 -0.15 0.00 -0.75 0.00 0.00 64.21 64.38 2pyf n SER 85 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2pyf s VAL 86 N -2.31 2.97 -0.12 2.46 1.01 -1.20 -1.46 120.40 121.75 2pyf s VAL 86 Ca 0.07 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 2pyf s VAL 86 Cb -0.01 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2pyf s VAL 86 CO 0.01 0.47 0.03 -0.31 0.00 0.00 0.00 175.10 175.29 2pyf s TYR 87 N 1.29 3.22 0.00 5.22 1.51 0.49 -0.43 117.35 128.66 2pyf s TYR 87 Ca 0.04 0.16 0.06 0.00 -1.01 0.00 0.00 57.07 56.32 2pyf s TYR 87 Cb -0.14 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.81 2pyf s TYR 87 CO -0.05 0.39 -0.20 -0.06 -1.11 0.00 0.00 175.55 174.52 2pyf s PHE 88 N -0.52 1.76 -0.13 2.71 0.08 0.11 0.01 117.98 122.01 2pyf s PHE 88 Ca 0.09 -0.34 -0.02 0.00 0.12 0.00 0.00 56.93 56.78 2pyf s PHE 88 Cb -0.12 -1.11 -0.02 0.00 -0.57 0.00 0.00 43.02 41.20 2pyf s PHE 88 CO 0.02 0.01 -0.07 0.00 -0.10 0.00 0.00 175.22 175.07 2pyf s ALA 90 N 0.13 0.94 0.05 0.00 0.00 -0.65 -1.17 121.76 121.06 2pyf s ALA 90 Ca -0.03 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 2pyf s ALA 90 Cb -0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 2pyf s ALA 90 CO 0.03 0.17 0.01 -1.54 0.00 0.00 0.00 175.76 174.43 2pyf s SER 91 N -0.94 0.38 0.14 0.00 1.04 -0.34 -0.78 113.70 113.20 2pyf s SER 91 Ca 0.00 -0.83 -0.24 0.00 0.48 0.00 0.00 55.95 55.36 2pyf s SER 91 Cb -0.07 0.20 0.07 0.00 0.10 0.00 0.00 66.02 66.32 2pyf s SER 91 CO 0.01 -0.55 0.71 -0.94 0.98 0.00 0.00 173.24 173.44 2pyf s SER 92 N -2.59 -0.45 0.24 7.02 1.04 -0.96 -0.76 113.70 117.24 2pyf s SER 92 Ca 0.02 -0.13 -0.30 0.00 0.48 0.00 0.00 55.95 56.02 2pyf s SER 92 Cb 0.04 0.57 -0.09 0.00 0.10 0.00 0.00 66.02 66.64 2pyf s SER 92 CO -0.08 -0.95 1.02 -0.31 0.98 0.00 0.00 173.24 173.90 2pyf s TYR 93 N -3.61 3.77 -1.45 5.02 2.02 -1.26 -2.59 117.35 119.24 2pyf s TYR 93 Ca 0.04 1.79 -0.12 0.00 -0.37 0.00 0.00 57.07 58.41 2pyf s TYR 93 Cb -0.02 -3.14 0.04 0.00 -0.40 0.00 0.00 41.96 38.44 2pyf s TYR 93 CO -0.08 -0.08 2.32 1.28 -1.57 0.00 0.00 175.55 177.42 2pyf n LEU 94 N 1.58 7.26 -2.71 -1.29 4.77 -1.26 -3.68 117.00 121.67 2pyf n LEU 94 Ca -0.01 -4.31 -0.07 0.00 -0.03 0.00 0.00 56.01 51.59 2pyf n LEU 94 Cb 0.46 -1.59 0.08 0.00 -2.33 0.00 0.00 43.42 40.04 2pyf n LEU 94 CO 0.52 1.39 0.41 0.61 -1.33 0.00 0.00 177.39 178.99 2pyf n GLY 95 N 3.65 -0.18 2.35 -0.72 0.00 -1.26 -5.06 105.19 103.97 2pyf n GLY 95 Ca 0.56 0.31 -0.40 0.00 0.00 0.00 0.00 46.02 46.49 2pyf n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pyf n ASN 96 N 0.79 0.03 0.00 1.61 5.03 -1.24 -3.66 115.26 117.83 2pyf n ASN 96 Ca 0.04 0.78 0.00 0.00 0.87 0.00 0.00 54.58 56.26 2pyf n ASN 96 Cb 0.70 -0.61 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 2pyf n ASN 96 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 2pyf n THR 97 N 1.08 0.00 -2.92 3.41 5.66 -1.26 -5.09 114.28 115.17 2pyf n THR 97 Ca 0.14 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.73 2pyf n THR 97 Cb 0.05 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.79 2pyf n THR 97 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2pyf s GLY 98 N 0.00 2.33 1.22 1.09 0.00 -1.24 -5.04 107.32 105.68 2pyf s GLY 98 Ca 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 44.72 44.68 2pyf s GLY 98 CO 0.00 1.53 1.01 -1.83 0.00 0.00 0.00 173.10 173.81 2pyf s GLU 99 N 1.66 -1.33 -0.11 2.90 -1.05 -1.26 -4.55 118.70 114.95 2pyf s GLU 99 Ca 0.39 0.61 -0.15 0.00 -0.15 0.00 0.00 54.97 55.68 2pyf s GLU 99 Cb -0.17 -1.52 -0.05 0.00 -0.44 0.00 0.00 34.13 31.95 2pyf s GLU 99 CO 0.16 -3.94 0.37 -1.17 0.95 0.00 0.00 175.26 171.62 2pyf s LEU 100 N -7.31 4.31 -0.18 1.83 2.96 -1.26 -4.47 118.68 114.56 2pyf s LEU 100 Ca 0.68 0.69 -0.02 0.00 -0.22 0.00 0.00 54.13 55.27 2pyf s LEU 100 Cb -0.22 -2.50 -0.01 0.00 0.50 0.00 0.00 46.19 43.96 2pyf s LEU 100 CO 0.63 0.13 -0.09 -0.36 -1.32 0.00 0.00 176.35 175.34 2pyf s PHE 101 N 0.15 2.90 0.09 5.38 0.40 0.06 -4.92 117.98 122.04 2pyf s PHE 101 Ca 0.21 -0.82 0.03 0.00 -0.60 0.00 0.00 56.93 55.75 2pyf s PHE 101 Cb -0.14 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.37 2pyf s PHE 101 CO 0.08 -0.39 0.11 -0.06 0.70 0.00 0.00 175.22 175.65 2pyf s PHE 102 N 0.94 3.23 0.55 0.36 0.40 -1.26 -1.20 117.98 120.99 2pyf s PHE 102 Ca -0.01 0.08 -0.08 0.00 -0.60 0.00 0.00 56.93 56.32 2pyf s PHE 102 Cb -0.15 -1.62 0.12 0.00 0.51 0.00 0.00 43.02 41.89 2pyf s PHE 102 CO -0.00 0.53 0.75 0.41 0.70 0.00 0.00 175.22 177.61 2pyf n GLY 103 N 0.27 -0.84 0.04 4.36 0.00 -0.32 -4.74 105.19 103.97 2pyf n GLY 103 Ca -0.08 -1.77 0.13 0.00 0.00 0.00 0.00 46.02 44.30 2pyf n GLY 103 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pyf n GLU 104 N -2.55 0.12 0.00 1.61 1.02 -1.26 -4.84 120.64 114.73 2pyf n GLU 104 Ca 0.10 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2pyf n GLU 104 Cb 0.35 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 2pyf n GLU 104 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pyf n GLY 105 N 1.42 0.05 3.09 0.62 0.00 -1.26 -5.01 105.19 104.10 2pyf n GLY 105 Ca 0.06 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 2pyf n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pyf s SER 106 N -1.43 2.93 -0.48 1.61 0.01 0.10 -4.57 113.70 111.88 2pyf s SER 106 Ca 0.00 -0.58 -0.17 0.00 1.31 0.00 0.00 55.95 56.51 2pyf s SER 106 Cb 0.00 -1.35 0.06 0.00 0.21 0.00 0.00 66.02 64.94 2pyf s SER 106 CO 0.00 -0.01 0.49 -0.13 0.41 0.00 0.00 173.24 174.00 2pyf s ARG 107 N 1.28 3.04 -0.16 12.44 0.52 0.43 -0.38 118.95 136.12 2pyf s ARG 107 Ca 0.03 -1.15 -0.03 0.00 -0.52 0.00 0.00 55.73 54.06 2pyf s ARG 107 Cb -0.13 -4.11 -0.02 0.00 0.52 0.00 0.00 34.95 31.20 2pyf s ARG 107 CO -0.10 -1.09 -0.05 -1.17 0.02 0.00 0.00 175.30 172.90 2pyf s LEU 108 N 2.04 3.13 -0.16 2.53 1.98 -0.53 -1.23 118.68 126.45 2pyf s LEU 108 Ca 0.09 -0.19 0.01 0.00 -2.89 0.00 0.00 54.13 51.15 2pyf s LEU 108 Cb -0.22 -1.75 0.02 0.00 0.66 0.00 0.00 46.19 44.90 2pyf s LEU 108 CO 0.09 0.15 -0.17 -0.89 -1.89 0.00 0.00 176.35 173.64 2pyf s THR 109 N 0.47 1.75 -0.20 3.68 2.01 -0.71 -0.97 115.64 121.67 2pyf s THR 109 Ca -0.04 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 2pyf s THR 109 Cb -0.15 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 2pyf s THR 109 CO 0.03 0.49 0.08 -0.69 -0.69 0.00 0.00 174.62 173.84 2pyf s VAL 110 N 1.36 4.90 0.12 3.82 1.01 -1.26 -0.56 120.40 129.78 2pyf s VAL 110 Ca 0.04 0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.13 2pyf s VAL 110 Cb -0.13 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2pyf s VAL 110 CO -0.10 0.43 -0.26 -0.76 0.00 0.00 0.00 175.10 174.41 2pyf s LEU 111 N 0.54 2.31 0.16 3.92 1.02 0.76 -4.59 118.68 122.80 2pyf s LEU 111 Ca 0.04 -0.73 0.08 0.00 0.02 0.00 0.00 54.13 53.54 2pyf s LEU 111 Cb -0.13 -1.15 -0.08 0.00 0.02 0.00 0.00 46.19 44.86 2pyf s LEU 111 CO 0.01 0.16 1.36 -0.33 0.02 0.00 0.00 176.35 177.56 2pyf h GLU 112 N 3.96 0.00 -3.10 1.70 3.07 -1.94 0.93 114.58 119.20 2pyf h GLU 112 Ca -0.50 -0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.08 2pyf h GLU 112 Cb 1.17 0.00 -0.35 0.00 -0.84 0.00 0.00 28.75 28.73 2pyf h GLU 112 CO 0.39 0.91 -0.62 0.34 -1.40 0.00 0.00 179.01 178.63 2pyf s ASP 113 N -6.74 0.56 0.00 1.42 2.15 -1.26 -4.69 116.67 108.11 2pyf s ASP 113 Ca 0.00 0.35 0.10 0.00 0.43 0.00 0.00 52.55 53.43 2pyf s ASP 113 Cb 0.11 0.29 0.53 0.00 -0.30 0.00 0.00 42.92 43.55 2pyf s ASP 113 CO 0.81 -0.23 1.17 0.18 -0.17 0.00 0.00 175.17 176.93 2pyf n LEU 114 N 5.12 0.00 0.00 -1.34 4.77 -1.26 -2.69 117.00 121.59 2pyf n LEU 114 Ca -0.09 0.22 0.11 0.00 -0.03 0.00 0.00 56.01 56.22 2pyf n LEU 114 Cb 0.50 -0.22 0.59 0.00 -2.33 0.00 0.00 43.42 41.96 2pyf n LEU 114 CO 0.07 -0.15 0.86 0.29 -1.33 0.00 0.00 177.39 177.13 2pyf n LYS 115 N -1.22 0.42 -0.03 3.23 4.01 -1.26 -2.16 118.16 121.15 2pyf n LYS 115 Ca 0.05 0.06 0.13 0.00 -0.51 0.00 0.00 58.31 58.04 2pyf n LYS 115 Cb 0.07 -1.50 0.42 0.00 -0.51 0.00 0.00 35.03 33.51 2pyf n LYS 115 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2pyf n ASN 116 N -1.21 1.82 -4.61 4.39 3.02 -1.10 -4.81 115.26 112.76 2pyf n ASN 116 Ca 0.12 -1.64 -0.42 0.00 -0.03 0.00 0.00 54.58 52.62 2pyf n ASN 116 Cb 0.15 -0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.22 2pyf n ASN 116 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2pyf s VAL 117 N -1.91 4.85 -0.01 2.41 1.01 -0.92 -4.66 120.40 121.16 2pyf s VAL 117 Ca 0.35 1.07 0.04 0.00 0.00 0.00 0.00 61.98 63.45 2pyf s VAL 117 Cb 0.20 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2pyf s VAL 117 CO 0.31 -0.20 -0.14 -0.36 0.00 0.00 0.00 175.10 174.71 2pyf s PHE 118 N 2.82 1.25 0.62 5.22 0.08 0.64 -4.77 117.98 123.84 2pyf s PHE 118 Ca 0.30 -0.25 -0.07 0.00 0.12 0.00 0.00 56.93 57.03 2pyf s PHE 118 Cb -0.14 -0.81 0.01 0.00 -0.57 0.00 0.00 43.02 41.51 2pyf s PHE 118 CO 0.12 -0.03 0.95 -1.25 -0.10 0.00 0.00 175.22 174.91 2pyf s PRO 119 N -0.27 2.88 0.40 0.24 0.04 -1.26 -0.62 135.00 136.40 2pyf s PRO 119 Ca 0.04 0.10 -0.13 0.00 0.04 0.00 0.00 61.00 61.06 2pyf s PRO 119 Cb -0.06 -2.21 -0.07 0.00 0.04 0.00 0.00 34.50 32.20 2pyf s PRO 119 CO -0.00 -0.80 0.79 -1.25 0.04 0.00 0.00 177.00 175.78 2pyf s PRO 120 N -5.09 3.87 -0.24 0.56 0.04 -1.26 -4.16 135.00 128.71 2pyf s PRO 120 Ca 0.55 0.60 -0.08 0.00 0.04 0.00 0.00 61.00 62.11 2pyf s PRO 120 Cb -0.11 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 2pyf s PRO 120 CO 0.47 -0.02 0.09 -1.21 0.04 0.00 0.00 177.00 176.36 2pyf s GLU 121 N -3.64 3.74 -0.08 4.56 2.02 -0.46 -4.87 118.70 119.96 2pyf s GLU 121 Ca 0.53 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 55.09 2pyf s GLU 121 Cb -0.10 -3.35 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 2pyf s GLU 121 CO 0.27 -0.12 -0.07 0.08 0.02 0.00 0.00 175.26 175.44 2pyf s VAL 122 N 1.46 3.65 -0.12 2.63 1.01 -1.26 -1.27 120.40 126.50 2pyf s VAL 122 Ca 0.06 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 2pyf s VAL 122 Cb -0.15 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.76 2pyf s VAL 122 CO 0.04 0.58 0.33 0.00 0.00 0.00 0.00 175.10 176.06 2pyf s ALA 123 N -0.62 -0.81 -0.15 5.51 0.00 -0.76 -4.64 121.76 120.29 2pyf s ALA 123 Ca 0.09 0.94 -0.06 0.00 0.00 0.00 0.00 51.96 52.93 2pyf s ALA 123 Cb -0.12 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 2pyf s ALA 123 CO 0.02 -0.16 0.07 0.08 0.00 0.00 0.00 175.76 175.77 2pyf s VAL 124 N 0.22 4.87 -0.20 0.00 1.01 -1.26 -0.91 120.40 124.13 2pyf s VAL 124 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 2pyf s VAL 124 Cb -0.03 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 2pyf s VAL 124 CO 0.00 0.52 0.00 -0.36 0.00 0.00 0.00 175.10 175.26 2pyf s PHE 125 N -0.14 3.04 0.53 5.22 0.40 0.15 -4.97 117.98 122.21 2pyf s PHE 125 Ca 0.07 -0.47 -0.19 0.00 -0.60 0.00 0.00 56.93 55.74 2pyf s PHE 125 Cb -0.12 -2.09 -0.07 0.00 0.51 0.00 0.00 43.02 41.25 2pyf s PHE 125 CO 0.01 -0.25 1.08 -1.21 0.70 0.00 0.00 175.22 175.54 2pyf s GLU 126 N 1.04 3.54 0.20 0.44 2.02 -1.26 -2.14 118.70 122.54 2pyf s GLU 126 Ca 0.02 1.43 -0.32 0.00 0.02 0.00 0.00 54.97 56.11 2pyf s GLU 126 Cb -0.14 -2.05 -0.14 0.00 0.10 0.00 0.00 34.13 31.90 2pyf s GLU 126 CO 0.02 -0.66 1.41 -2.30 0.02 0.00 0.00 175.26 173.74 2pyf n PRO 127 N -1.29 1.88 -2.11 0.39 -0.02 -1.25 -4.92 135.00 127.68 2pyf n PRO 127 Ca 0.10 0.67 -0.39 0.00 -2.02 0.00 0.00 63.50 61.86 2pyf n PRO 127 Cb 0.52 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.66 2pyf n PRO 127 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2pyf s SER 128 N 0.41 6.30 0.50 2.55 0.15 -1.26 -4.92 113.70 117.43 2pyf s SER 128 Ca 0.72 2.56 0.31 0.00 0.70 0.00 0.00 55.95 60.25 2pyf s SER 128 Cb -0.70 -2.63 1.20 0.00 -1.71 0.00 0.00 66.02 62.17 2pyf s SER 128 CO 0.47 -0.85 1.91 1.05 1.20 0.00 0.00 173.24 177.02 2pyf h GLU 129 N 2.56 0.00 -0.05 5.44 -0.00 -1.99 -2.98 114.58 117.56 2pyf h GLU 129 Ca -0.49 0.00 -0.21 0.00 -0.00 0.00 0.00 59.36 58.66 2pyf h GLU 129 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.00 2pyf h GLU 129 CO 0.62 0.00 -0.83 0.00 -0.00 0.00 0.00 179.01 178.80 2pyf h ALA 130 N 2.04 0.45 -0.01 1.06 0.00 -1.99 -2.86 119.26 117.95 2pyf h ALA 130 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 2pyf h ALA 130 Cb 0.56 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2pyf h ALA 130 CO 0.00 0.77 -0.02 1.49 0.00 0.00 0.00 179.25 181.49 2pyf h GLU 131 N 0.29 0.04 -0.35 0.00 4.81 -1.84 -2.25 114.58 115.29 2pyf h GLU 131 Ca -0.06 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2pyf h GLU 131 Cb 1.44 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.77 2pyf h GLU 131 CO 0.15 0.57 0.01 0.82 -0.73 0.00 0.00 179.01 179.83 2pyf h ILE 132 N -0.48 0.76 0.00 2.32 2.04 -1.44 0.41 117.51 121.12 2pyf h ILE 132 Ca 0.00 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 2pyf h ILE 132 Cb 0.57 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2pyf h ILE 132 CO 0.01 0.02 -0.40 0.77 0.00 0.00 0.00 178.15 178.54 2pyf h SER 133 N 0.12 0.00 0.39 1.72 4.64 -1.56 0.31 113.55 119.16 2pyf h SER 133 Ca 0.17 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.18 2pyf h SER 133 Cb 0.23 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.27 2pyf h SER 133 CO -0.27 0.40 -1.82 1.57 -0.87 0.00 0.00 176.83 175.84 2pyf n HIS 134 N -3.85 0.91 -0.01 4.77 -0.00 -0.85 -4.59 115.22 111.60 2pyf n HIS 134 Ca -0.01 0.31 0.00 0.00 -0.00 0.00 0.00 57.72 58.02 2pyf n HIS 134 Cb 0.46 -1.16 0.00 0.00 -0.00 0.00 0.00 29.99 29.29 2pyf n HIS 134 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2pyf n THR 135 N -3.06 0.00 -2.06 3.57 -2.24 0.14 -5.00 114.28 105.63 2pyf n THR 135 Ca -0.21 -0.46 -0.18 0.00 -2.27 0.00 0.00 64.05 60.94 2pyf n THR 135 Cb 1.06 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 70.27 2pyf n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pyf n GLN 136 N -0.80 -1.34 -4.23 -0.78 3.00 0.11 -4.99 117.38 108.35 2pyf n GLN 136 Ca 0.00 0.94 -0.13 0.00 -0.01 0.00 0.00 57.00 57.80 2pyf n GLN 136 Cb 0.00 -5.34 -0.10 0.00 0.00 0.00 0.00 30.24 24.80 2pyf n GLN 136 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2pyf s LYS 137 N -4.41 1.00 -0.02 -1.09 1.02 -1.26 -1.26 119.74 113.72 2pyf s LYS 137 Ca 0.00 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 54.58 2pyf s LYS 137 Cb 0.00 -0.54 0.02 0.00 -0.52 0.00 0.00 37.83 36.80 2pyf s LYS 137 CO 0.00 0.06 0.00 0.00 -0.92 0.00 0.00 175.35 174.49 2pyf s ALA 138 N -3.33 0.25 -0.22 5.17 0.00 0.16 -2.89 121.76 120.90 2pyf s ALA 138 Ca 0.15 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 2pyf s ALA 138 Cb 0.03 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.90 2pyf s ALA 138 CO -0.01 -0.06 -0.09 0.99 0.00 0.00 0.00 175.76 176.60 2pyf s THR 139 N 0.86 2.89 0.05 0.00 2.01 -1.26 -0.85 115.64 119.33 2pyf s THR 139 Ca -0.08 -0.78 -0.16 0.00 0.31 0.00 0.00 61.69 60.97 2pyf s THR 139 Cb -0.12 -2.35 -0.06 0.00 0.01 0.00 0.00 72.50 69.99 2pyf s THR 139 CO -0.02 0.37 0.49 -0.76 -0.69 0.00 0.00 174.62 174.02 2pyf s LEU 140 N 1.38 4.47 -0.08 4.42 1.02 1.00 -3.89 118.68 127.00 2pyf s LEU 140 Ca 0.04 1.08 0.05 0.00 0.02 0.00 0.00 54.13 55.32 2pyf s LEU 140 Cb -0.15 -2.82 -0.01 0.00 0.02 0.00 0.00 46.19 43.23 2pyf s LEU 140 CO -0.06 0.27 -0.23 -0.69 0.02 0.00 0.00 176.35 175.66 2pyf s VAL 141 N -1.17 2.20 -0.14 -1.59 1.01 -0.91 -1.39 120.40 118.42 2pyf s VAL 141 Ca 0.28 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 2pyf s VAL 141 Cb -0.17 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2pyf s VAL 141 CO 0.17 0.56 -0.11 0.00 0.00 0.00 0.00 175.10 175.72 2pyf s LEU 143 N 0.45 1.78 -0.20 0.00 2.96 -0.08 -1.88 118.68 121.71 2pyf s LEU 143 Ca -0.09 -0.62 -0.07 0.00 -0.22 0.00 0.00 54.13 53.14 2pyf s LEU 143 Cb -0.16 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 2pyf s LEU 143 CO 0.04 -0.12 0.05 0.00 -1.32 0.00 0.00 176.35 175.01 2pyf s ALA 144 N 1.52 3.30 0.13 5.97 0.00 -0.30 -1.83 121.76 130.54 2pyf s ALA 144 Ca 0.02 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.17 2pyf s ALA 144 Cb -0.14 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 2pyf s ALA 144 CO -0.09 0.02 -0.09 0.95 0.00 0.00 0.00 175.76 176.54 2pyf s THR 145 N 0.68 1.04 -1.69 0.00 -4.23 -0.39 -0.89 115.64 110.15 2pyf s THR 145 Ca 0.03 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 2pyf s THR 145 Cb -0.13 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 71.95 2pyf s THR 145 CO 0.02 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 173.96 2pyf n GLY 146 N -0.07 0.14 3.89 3.99 0.00 -0.00 -1.36 105.19 111.78 2pyf n GLY 146 Ca -0.11 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2pyf n GLY 146 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pyf s PHE 147 N -2.87 3.49 -0.25 1.61 -0.71 -0.97 -4.51 117.98 113.77 2pyf s PHE 147 Ca 0.00 0.59 -0.17 0.00 -1.04 0.00 0.00 56.93 56.31 2pyf s PHE 147 Cb 0.00 -2.02 0.07 0.00 -1.21 0.00 0.00 43.02 39.86 2pyf s PHE 147 CO 0.00 0.46 0.62 -0.47 -1.34 0.00 0.00 175.22 174.49 2pyf s TYR 148 N -1.60 -0.87 0.73 3.49 5.04 0.21 0.06 117.35 124.41 2pyf s TYR 148 Ca 0.39 1.85 -0.12 0.00 -2.44 0.00 0.00 57.07 56.75 2pyf s TYR 148 Cb -0.12 0.44 0.17 0.00 0.35 0.00 0.00 41.96 42.80 2pyf s TYR 148 CO 0.23 -0.43 0.92 -0.35 -1.34 0.00 0.00 175.55 174.57 2pyf n PRO 149 N 3.80 -1.21 -1.15 4.97 -0.04 -1.26 -0.26 135.00 139.84 2pyf n PRO 149 Ca -0.19 -1.42 -0.27 0.00 -0.04 0.00 0.00 63.50 61.57 2pyf n PRO 149 Cb 0.57 -1.01 -0.08 0.00 -0.04 0.00 0.00 33.50 32.94 2pyf n PRO 149 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2pyf n ASP 150 N -3.74 7.16 -3.98 3.54 2.03 -1.26 -4.72 116.55 115.58 2pyf n ASP 150 Ca 0.12 -2.51 -0.33 0.00 0.52 0.00 0.00 54.79 52.59 2pyf n ASP 150 Cb 0.41 -1.47 -0.08 0.00 -0.72 0.00 0.00 41.12 39.26 2pyf n ASP 150 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2pyf n HIS 151 N 3.19 3.79 -4.24 -0.67 8.25 -1.26 -5.05 115.22 119.23 2pyf n HIS 151 Ca 0.63 -4.17 -0.14 0.00 -0.26 0.00 0.00 57.72 53.78 2pyf n HIS 151 Cb 0.49 -0.91 -0.10 0.00 1.12 0.00 0.00 29.99 30.59 2pyf n HIS 151 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2pyf s VAL 152 N -1.53 1.07 -0.17 1.59 -7.23 -1.26 -1.08 120.40 111.79 2pyf s VAL 152 Ca 0.28 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.37 2pyf s VAL 152 Cb -0.04 -1.86 0.08 0.00 0.56 0.00 0.00 36.38 35.12 2pyf s VAL 152 CO -0.13 -0.74 0.18 -1.61 -0.31 0.00 0.00 175.10 172.49 2pyf s GLU 153 N -3.77 0.13 -0.13 4.82 2.02 -0.72 -4.96 118.70 116.08 2pyf s GLU 153 Ca 0.17 0.25 -0.05 0.00 0.02 0.00 0.00 54.97 55.35 2pyf s GLU 153 Cb 0.03 -1.07 -0.04 0.00 0.10 0.00 0.00 34.13 33.15 2pyf s GLU 153 CO 0.00 -0.57 0.06 -1.17 0.02 0.00 0.00 175.26 173.61 2pyf s LEU 154 N 2.29 3.88 0.02 1.80 0.20 -1.26 -0.57 118.68 125.05 2pyf s LEU 154 Ca 0.05 0.20 -0.11 0.00 0.69 0.00 0.00 54.13 54.97 2pyf s LEU 154 Cb -0.15 -1.94 0.01 0.00 -0.43 0.00 0.00 46.19 43.68 2pyf s LEU 154 CO -0.10 0.30 0.22 -0.94 -0.29 0.00 0.00 176.35 175.55 2pyf s SER 155 N -0.42 -0.03 -0.01 3.68 1.04 -0.42 -5.01 113.70 112.53 2pyf s SER 155 Ca 0.09 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2pyf s SER 155 Cb -0.12 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 2pyf s SER 155 CO 0.02 -0.51 0.05 0.26 0.98 0.00 0.00 173.24 174.03 2pyf s TRP 156 N -2.14 3.21 -0.07 5.02 0.52 -1.26 -1.06 118.94 123.17 2pyf s TRP 156 Ca -0.08 0.16 -0.01 0.00 0.02 0.00 0.00 56.10 56.19 2pyf s TRP 156 Cb -0.03 -1.72 0.03 0.00 -1.15 0.00 0.00 33.47 30.60 2pyf s TRP 156 CO -0.01 0.52 -0.01 -1.58 0.02 0.00 0.00 176.95 175.89 2pyf s TRP 157 N -1.15 0.67 -0.22 -1.98 0.52 0.88 -1.99 118.94 115.68 2pyf s TRP 157 Ca 0.21 -0.17 0.02 0.00 0.02 0.00 0.00 56.10 56.18 2pyf s TRP 157 Cb -0.12 -0.77 0.04 0.00 -1.15 0.00 0.00 33.47 31.47 2pyf s TRP 157 CO 0.12 -0.30 -0.16 0.08 0.02 0.00 0.00 176.95 176.71 2pyf s VAL 158 N 1.76 2.15 -1.50 4.03 1.01 -0.60 -0.58 120.40 126.68 2pyf s VAL 158 Ca 0.02 -1.23 -0.06 0.00 0.00 0.00 0.00 61.98 60.71 2pyf s VAL 158 Cb -0.13 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.21 2pyf s VAL 158 CO -0.04 0.29 0.57 0.59 0.00 0.00 0.00 175.10 176.51 2pyf n ASN 159 N 4.54 -5.61 0.00 3.32 3.02 -0.21 -2.18 115.26 118.15 2pyf n ASN 159 Ca -0.18 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 2pyf n ASN 159 Cb 0.47 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 35.09 2pyf n ASN 159 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pyf n GLY 160 N -1.44 1.36 3.33 7.41 0.00 -1.26 -5.05 105.19 109.54 2pyf n GLY 160 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2pyf n GLY 160 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pyf s LYS 161 N -0.47 3.36 0.20 1.61 -2.85 -0.92 -5.06 119.74 115.61 2pyf s LYS 161 Ca 0.00 -0.67 -0.32 0.00 -1.00 0.00 0.00 55.97 53.98 2pyf s LYS 161 Cb 0.00 -2.77 -0.11 0.00 -2.06 0.00 0.00 37.83 32.89 2pyf s LYS 161 CO 0.00 0.03 1.68 -2.00 0.10 0.00 0.00 175.35 175.17 2pyf s GLU 162 N 0.83 4.15 0.08 1.78 2.12 -1.26 -1.55 118.70 124.84 2pyf s GLU 162 Ca -0.03 2.55 0.06 0.00 0.36 0.00 0.00 54.97 57.90 2pyf s GLU 162 Cb -0.15 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 2pyf s GLU 162 CO 0.01 -0.71 -0.08 0.14 -0.54 0.00 0.00 175.26 174.08 2pyf s VAL 163 N 1.12 3.54 0.00 3.70 -7.23 -0.84 -4.93 120.40 115.76 2pyf s VAL 163 Ca 0.73 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 2pyf s VAL 163 Cb -0.48 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 33.82 2pyf s VAL 163 CO 0.32 0.18 0.00 1.41 -0.31 0.00 0.00 175.10 176.70 2pyf n HIS 164 N 0.89 0.00 -2.66 2.82 8.25 -1.26 -4.55 115.22 118.70 2pyf n HIS 164 Ca -0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.91 2pyf n HIS 164 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 2pyf n HIS 164 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2pyf s SER 165 N -0.94 7.30 -0.85 0.41 0.15 -1.26 -3.42 113.70 115.09 2pyf s SER 165 Ca 0.00 1.69 -0.01 0.00 0.70 0.00 0.00 55.95 58.33 2pyf s SER 165 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2pyf s SER 165 CO 0.00 -0.32 0.14 0.61 1.20 0.00 0.00 173.24 174.86 2pyf n GLY 166 N 2.98 -0.00 3.00 9.45 0.00 -1.26 -4.78 105.19 114.58 2pyf n GLY 166 Ca 0.07 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 2pyf n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pyf s VAL 167 N -2.67 0.65 -0.13 1.61 1.01 -1.22 -0.17 120.40 119.48 2pyf s VAL 167 Ca 0.07 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 2pyf s VAL 167 Cb -0.03 -0.56 0.05 0.00 0.00 0.00 0.00 36.38 35.84 2pyf s VAL 167 CO 0.08 0.19 0.30 0.00 0.00 0.00 0.00 175.10 175.68 2pyf s THR 169 N 1.17 2.78 0.17 0.00 2.01 -1.26 -0.65 115.64 119.85 2pyf s THR 169 Ca -0.08 -1.49 -0.34 0.00 0.31 0.00 0.00 61.69 60.09 2pyf s THR 169 Cb -0.09 -2.26 -0.14 0.00 0.01 0.00 0.00 72.50 70.03 2pyf s THR 169 CO -0.09 0.13 1.55 0.47 -0.69 0.00 0.00 174.62 175.99 2pyf n ASP 170 N 0.90 3.02 0.02 3.53 8.00 -0.75 -4.84 116.55 126.43 2pyf n ASP 170 Ca -0.16 1.09 0.10 0.00 0.71 0.00 0.00 54.79 56.53 2pyf n ASP 170 Cb 0.53 -1.42 0.53 0.00 -0.02 0.00 0.00 41.12 40.74 2pyf n ASP 170 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2pyf h PRO 171 N 5.67 0.30 -3.26 -0.24 0.11 -1.98 -3.43 132.00 129.17 2pyf h PRO 171 Ca -0.45 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 2pyf h PRO 171 Cb 1.26 -0.07 -0.23 0.00 0.11 0.00 0.00 31.00 32.07 2pyf h PRO 171 CO 0.87 0.20 -0.43 1.14 -0.21 0.00 0.00 178.00 179.57 2pyf s GLN 172 N -5.30 0.42 0.53 1.05 -2.07 -1.26 -5.16 119.66 107.86 2pyf s GLN 172 Ca -0.07 -0.03 -0.17 0.00 -1.82 0.00 0.00 55.36 53.27 2pyf s GLN 172 Cb 0.18 0.19 -0.07 0.00 -1.09 0.00 0.00 33.01 32.22 2pyf s GLN 172 CO 0.72 -0.09 1.01 -1.25 -1.32 0.00 0.00 175.29 174.37 2pyf s PRO 173 N -0.68 3.75 0.00 9.60 0.04 -1.26 -4.99 135.00 141.46 2pyf s PRO 173 Ca -0.08 1.09 -0.05 0.00 0.04 0.00 0.00 61.00 62.00 2pyf s PRO 173 Cb -0.04 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2pyf s PRO 173 CO 0.02 -0.44 0.23 -0.48 0.04 0.00 0.00 177.00 176.37 2pyf s LEU 174 N -4.09 4.37 0.07 -3.56 0.05 -0.69 -4.88 118.68 109.94 2pyf s LEU 174 Ca 0.61 0.48 -0.30 0.00 0.05 0.00 0.00 54.13 54.97 2pyf s LEU 174 Cb -0.12 -2.65 -0.05 0.00 -2.05 0.00 0.00 46.19 41.32 2pyf s LEU 174 CO 0.31 0.26 1.08 -0.54 -0.55 0.00 0.00 176.35 176.90 2pyf s LYS 175 N -1.82 4.54 0.36 1.48 1.02 -1.26 -1.63 119.74 122.43 2pyf s LYS 175 Ca 0.27 1.60 0.26 0.00 0.02 0.00 0.00 55.97 58.12 2pyf s LYS 175 Cb -0.13 -3.38 0.77 0.00 -0.52 0.00 0.00 37.83 34.57 2pyf s LYS 175 CO 0.17 -0.07 1.75 0.93 -0.92 0.00 0.00 175.35 177.21 2pyf h GLU 176 N 6.34 0.00 -2.53 1.68 5.08 -1.50 -3.35 114.58 120.30 2pyf h GLU 176 Ca -0.42 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.34 2pyf h GLU 176 Cb 1.22 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.08 2pyf h GLU 176 CO 0.76 0.00 -0.89 -0.65 -1.00 0.00 0.00 179.01 177.24 2pyf s GLN 177 N -3.28 1.25 0.31 2.33 -0.21 -1.26 -5.01 119.66 113.79 2pyf s GLN 177 Ca 0.07 -2.38 0.03 0.00 0.02 0.00 0.00 55.36 53.09 2pyf s GLN 177 Cb 0.09 -1.86 0.78 0.00 1.00 0.00 0.00 33.01 33.01 2pyf s GLN 177 CO 0.58 -1.36 1.57 -1.35 -2.12 0.00 0.00 175.29 172.61 2pyf h PRO 178 N 5.60 0.01 0.00 2.91 0.11 -1.96 -1.32 132.00 137.35 2pyf h PRO 178 Ca 0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2pyf h PRO 178 Cb 0.88 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2pyf h PRO 178 CO 0.45 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.24 2pyf h ALA 179 N 1.99 1.00 -2.81 -0.75 0.00 -1.96 -3.45 119.26 113.29 2pyf h ALA 179 Ca 0.61 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.90 2pyf h ALA 179 Cb 1.28 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 2pyf h ALA 179 CO -0.92 0.00 -0.34 -0.51 0.00 0.00 0.00 179.25 177.48 2pyf s LEU 180 N -4.99 4.37 0.13 0.00 2.01 -0.50 -4.96 118.68 114.74 2pyf s LEU 180 Ca 0.04 0.65 0.27 0.00 0.01 0.00 0.00 54.13 55.09 2pyf s LEU 180 Cb 0.09 -2.34 0.84 0.00 0.01 0.00 0.00 46.19 44.79 2pyf s LEU 180 CO 0.46 0.28 1.73 -3.20 1.01 0.00 0.00 176.35 176.64 2pyf n ASN 181 N 2.43 0.58 -1.28 2.29 4.05 -1.26 -2.86 115.26 119.20 2pyf n ASN 181 Ca -0.15 0.45 0.11 0.00 0.45 0.00 0.00 54.58 55.43 2pyf n ASN 181 Cb 0.53 -0.53 0.31 0.00 1.23 0.00 0.00 39.78 41.32 2pyf n ASN 181 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2pyf n ASP 182 N -2.01 3.89 -4.71 1.20 2.03 -1.26 -5.02 116.55 110.66 2pyf n ASP 182 Ca 0.06 -2.02 -0.41 0.00 0.52 0.00 0.00 54.79 52.93 2pyf n ASP 182 Cb 0.40 -0.47 0.01 0.00 -0.72 0.00 0.00 41.12 40.35 2pyf n ASP 182 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2pyf n SER 183 N 1.49 2.69 -4.84 1.67 2.88 -1.14 -5.01 113.62 111.36 2pyf n SER 183 Ca 0.23 1.11 -0.32 0.00 -1.33 0.00 0.00 58.87 58.56 2pyf n SER 183 Cb 0.61 -1.52 -0.01 0.00 -0.75 0.00 0.00 64.21 62.54 2pyf n SER 183 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2pyf s ARG 184 N -2.25 3.72 0.36 -1.46 0.52 -1.26 -4.88 118.95 113.70 2pyf s ARG 184 Ca 0.61 0.93 0.08 0.00 -0.52 0.00 0.00 55.73 56.84 2pyf s ARG 184 Cb -0.50 -2.10 -0.05 0.00 0.52 0.00 0.00 34.95 32.82 2pyf s ARG 184 CO 0.58 -0.47 0.08 0.71 0.02 0.00 0.00 175.30 176.22 2pyf s TYR 185 N -2.77 2.59 0.02 -0.53 2.02 0.11 -1.22 117.35 117.57 2pyf s TYR 185 Ca 0.58 -0.48 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 2pyf s TYR 185 Cb -0.11 -1.67 -0.01 0.00 -0.40 0.00 0.00 41.96 39.77 2pyf s TYR 185 CO 0.39 0.37 -0.08 0.00 -1.57 0.00 0.00 175.55 174.66 2pyf s ALA 186 N -2.53 0.65 -0.05 3.71 0.00 -0.65 -0.82 121.76 122.07 2pyf s ALA 186 Ca 0.37 -0.54 -0.05 0.00 0.00 0.00 0.00 51.96 51.74 2pyf s ALA 186 Cb 0.01 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.06 2pyf s ALA 186 CO 0.21 0.09 0.15 -1.17 0.00 0.00 0.00 175.76 175.04 2pyf s LEU 187 N -0.81 1.43 0.14 0.00 2.96 -0.07 -1.71 118.68 120.62 2pyf s LEU 187 Ca -0.02 0.26 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 2pyf s LEU 187 Cb -0.06 0.54 -0.04 0.00 0.50 0.00 0.00 46.19 47.12 2pyf s LEU 187 CO 0.00 -0.08 -0.11 -0.94 -1.32 0.00 0.00 176.35 173.91 2pyf s SER 188 N -0.04 1.77 0.03 3.68 1.04 -1.26 -1.15 113.70 117.77 2pyf s SER 188 Ca -0.01 -0.96 -0.09 0.00 0.48 0.00 0.00 55.95 55.37 2pyf s SER 188 Cb -0.02 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2pyf s SER 188 CO 0.00 -0.30 0.18 -0.55 0.98 0.00 0.00 173.24 173.56 2pyf s SER 189 N -2.99 0.03 0.04 7.02 0.15 -0.79 -1.81 113.70 115.36 2pyf s SER 189 Ca 0.14 -0.32 0.09 0.00 0.70 0.00 0.00 55.95 56.56 2pyf s SER 189 Cb 0.01 0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 2pyf s SER 189 CO 0.01 -0.51 -0.26 -0.13 1.20 0.00 0.00 173.24 173.54 2pyf s ARG 190 N -2.27 1.79 -0.13 5.44 3.00 0.17 -1.71 118.95 125.24 2pyf s ARG 190 Ca -0.07 -1.10 -0.02 0.00 0.00 0.00 0.00 55.73 54.54 2pyf s ARG 190 Cb -0.03 -1.96 0.04 0.00 0.00 0.00 0.00 34.95 33.01 2pyf s ARG 190 CO -0.02 0.51 0.01 -1.17 0.00 0.00 0.00 175.30 174.62 2pyf s LEU 191 N -1.22 0.94 -0.09 2.53 2.96 -0.48 -2.28 118.68 121.04 2pyf s LEU 191 Ca 0.12 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 2pyf s LEU 191 Cb -0.10 -0.57 -0.02 0.00 0.50 0.00 0.00 46.19 46.01 2pyf s LEU 191 CO 0.02 -0.23 -0.15 -0.60 -1.32 0.00 0.00 176.35 174.07 2pyf s ARG 192 N 1.88 2.96 0.25 1.98 3.52 0.75 -0.00 118.95 130.29 2pyf s ARG 192 Ca 0.02 -0.71 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 2pyf s ARG 192 Cb -0.14 -2.49 -0.05 0.00 -1.56 0.00 0.00 34.95 30.71 2pyf s ARG 192 CO -0.07 0.39 0.12 0.14 -0.81 0.00 0.00 175.30 175.07 2pyf s VAL 193 N -0.12 0.34 0.56 7.11 -7.23 -0.03 -4.62 120.40 116.41 2pyf s VAL 193 Ca -0.02 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.96 2pyf s VAL 193 Cb -0.14 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.18 2pyf s VAL 193 CO 0.04 0.00 1.17 -0.94 -0.31 0.00 0.00 175.10 175.06 2pyf s SER 194 N -3.27 5.52 0.43 4.85 1.04 -1.26 -0.67 113.70 120.34 2pyf s SER 194 Ca 0.38 2.30 0.10 0.00 0.48 0.00 0.00 55.95 59.20 2pyf s SER 194 Cb 0.07 -2.59 0.95 0.00 0.10 0.00 0.00 66.02 64.55 2pyf s SER 194 CO 0.14 -1.36 2.05 0.00 0.98 0.00 0.00 173.24 175.05 2pyf h ALA 195 N 1.14 1.82 -0.21 5.32 0.00 -1.44 -2.11 119.26 123.78 2pyf h ALA 195 Ca -0.50 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 2pyf h ALA 195 Cb 1.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2pyf h ALA 195 CO 0.56 0.13 -0.35 1.79 0.00 0.00 0.00 179.25 181.39 2pyf h THR 196 N 0.45 1.29 -0.37 0.00 1.35 -1.91 -0.57 112.91 113.15 2pyf h THR 196 Ca 0.16 -1.44 -0.14 0.00 -0.55 0.00 0.00 66.41 64.44 2pyf h THR 196 Cb 0.10 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 2pyf h THR 196 CO -0.04 0.45 -0.32 0.15 -0.25 0.00 0.00 175.52 175.51 2pyf h PHE 197 N 0.38 1.04 -0.27 4.73 3.57 -1.76 -2.94 116.94 121.70 2pyf h PHE 197 Ca 0.04 -0.30 -0.13 0.00 3.53 0.00 0.00 57.97 61.11 2pyf h PHE 197 Cb 0.79 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 2pyf h PHE 197 CO 0.02 1.10 -0.36 2.35 -2.23 0.00 0.00 178.31 179.20 2pyf h TRP 198 N 0.68 0.70 0.00 0.41 2.91 -1.36 -3.07 115.95 116.23 2pyf h TRP 198 Ca 0.07 -0.19 0.00 0.00 1.13 0.00 0.00 58.89 59.89 2pyf h TRP 198 Cb 0.91 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.40 2pyf h TRP 198 CO 0.06 0.88 0.00 1.04 -1.03 0.00 0.00 178.44 179.39 2pyf n GLN 199 N -4.05 0.00 -2.70 2.65 6.02 -0.23 -0.50 117.38 118.57 2pyf n GLN 199 Ca -0.01 0.19 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 2pyf n GLN 199 Cb 0.49 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.22 2pyf n GLN 199 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2pyf s ASP 200 N -3.01 6.55 0.63 1.08 -1.08 -1.12 -2.57 116.67 117.15 2pyf s ASP 200 Ca 0.09 0.26 0.32 0.00 -0.52 0.00 0.00 52.55 52.70 2pyf s ASP 200 Cb 0.12 -2.51 1.79 0.00 -1.46 0.00 0.00 42.92 40.86 2pyf s ASP 200 CO 0.33 -1.20 2.09 1.55 0.52 0.00 0.00 175.17 178.47 2pyf h PRO 201 N 9.21 0.00 -0.01 4.34 0.13 -1.82 -2.13 132.00 141.72 2pyf h PRO 201 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2pyf h PRO 201 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2pyf h PRO 201 CO 1.09 0.00 -0.04 2.89 -0.23 0.00 0.00 178.00 181.71 2pyf n ARG 202 N -3.41 1.21 -2.87 0.86 0.00 -1.26 -4.15 116.66 107.05 2pyf n ARG 202 Ca 0.00 -0.50 -0.41 0.00 -0.00 0.00 0.00 57.85 56.94 2pyf n ARG 202 Cb 0.31 -1.49 -0.04 0.00 -0.00 0.00 0.00 32.46 31.25 2pyf n ARG 202 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2pyf s ASN 203 N -2.13 7.13 -0.17 2.89 0.01 -0.80 -4.96 114.94 116.91 2pyf s ASN 203 Ca 0.38 1.38 -0.03 0.00 -0.71 0.00 0.00 52.86 53.88 2pyf s ASN 203 Cb 0.21 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.36 2pyf s ASN 203 CO 0.39 -0.26 -0.06 -2.28 -1.51 0.00 0.00 177.10 173.38 2pyf s HIS 204 N 1.27 2.94 -0.05 2.20 5.65 -1.26 -0.90 115.29 125.15 2pyf s HIS 204 Ca 0.44 -0.59 0.04 0.00 0.25 0.00 0.00 55.06 55.19 2pyf s HIS 204 Cb -0.19 -1.97 -0.03 0.00 -1.18 0.00 0.00 32.58 29.21 2pyf s HIS 204 CO 0.20 -0.24 -0.14 -0.06 -0.65 0.00 0.00 174.74 173.84 2pyf s PHE 205 N 0.71 2.70 -0.12 3.88 0.08 0.24 -1.04 117.98 124.42 2pyf s PHE 205 Ca -0.03 -0.16 -0.07 0.00 0.12 0.00 0.00 56.93 56.79 2pyf s PHE 205 Cb -0.15 -1.62 0.05 0.00 -0.57 0.00 0.00 43.02 40.73 2pyf s PHE 205 CO 0.02 0.19 0.29 0.50 -0.10 0.00 0.00 175.22 176.12 2pyf s ARG 206 N -0.77 0.26 -0.13 0.44 3.52 0.26 -1.55 118.95 120.99 2pyf s ARG 206 Ca 0.12 0.59 0.00 0.00 -0.13 0.00 0.00 55.73 56.30 2pyf s ARG 206 Cb -0.11 -0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.19 2pyf s ARG 206 CO 0.01 -0.15 -0.13 0.00 -0.81 0.00 0.00 175.30 174.21 2pyf s GLN 208 N 0.30 0.73 -0.11 0.00 -2.07 -0.22 -1.58 119.66 116.72 2pyf s GLN 208 Ca -0.10 -0.87 0.01 0.00 -1.82 0.00 0.00 55.36 52.57 2pyf s GLN 208 Cb -0.16 -0.67 0.02 0.00 -1.09 0.00 0.00 33.01 31.11 2pyf s GLN 208 CO 0.06 0.15 -0.11 0.08 -1.32 0.00 0.00 175.29 174.14 2pyf s VAL 209 N -1.26 1.21 -0.36 3.63 1.01 0.00 -1.31 120.40 123.32 2pyf s VAL 209 Ca -0.04 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 2pyf s VAL 209 Cb -0.10 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2pyf s VAL 209 CO 0.02 0.39 0.58 -1.58 0.00 0.00 0.00 175.10 174.50 2pyf s GLN 210 N 1.31 3.59 -0.20 2.72 0.74 0.27 -1.72 119.66 126.37 2pyf s GLN 210 Ca -0.01 -0.11 -0.07 0.00 0.05 0.00 0.00 55.36 55.21 2pyf s GLN 210 Cb -0.14 -3.83 -0.03 0.00 1.10 0.00 0.00 33.01 30.11 2pyf s GLN 210 CO -0.05 -0.73 0.05 0.12 -0.55 0.00 0.00 175.29 174.14 2pyf s PHE 211 N 2.57 3.16 -0.40 1.67 5.36 0.19 -1.76 117.98 128.77 2pyf s PHE 211 Ca 0.21 -0.15 -0.15 0.00 -0.96 0.00 0.00 56.93 55.88 2pyf s PHE 211 Cb -0.15 -2.13 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 2pyf s PHE 211 CO 0.15 -0.06 0.34 0.71 -1.46 0.00 0.00 175.22 174.90 2pyf s TYR 212 N 0.85 3.21 0.00 10.12 1.51 -0.24 -0.40 117.35 132.40 2pyf s TYR 212 Ca 0.03 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.69 2pyf s TYR 212 Cb -0.14 -2.68 0.00 0.00 -0.11 0.00 0.00 41.96 39.03 2pyf s TYR 212 CO 0.02 -0.57 0.00 0.41 -1.11 0.00 0.00 175.55 174.30 2pyf n GLY 213 N 5.11 3.70 3.77 0.71 0.00 -1.26 -4.69 105.19 112.53 2pyf n GLY 213 Ca -0.10 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 2pyf n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pyf s LEU 214 N 0.00 2.13 0.41 0.99 1.43 -0.30 -4.50 118.68 118.84 2pyf s LEU 214 Ca 0.00 1.15 0.08 0.00 -1.03 0.00 0.00 54.13 54.33 2pyf s LEU 214 Cb 0.00 -3.55 -0.00 0.00 0.03 0.00 0.00 46.19 42.67 2pyf s LEU 214 CO 0.00 -2.50 0.49 -0.55 0.23 0.00 0.00 176.35 174.03 2pyf s SER 215 N -3.83 5.47 0.00 2.29 0.15 -1.26 -2.44 113.70 114.08 2pyf s SER 215 Ca 0.63 -0.51 0.22 0.00 0.70 0.00 0.00 55.95 57.00 2pyf s SER 215 Cb -0.16 -0.68 0.98 0.00 -1.71 0.00 0.00 66.02 64.45 2pyf s SER 215 CO 0.55 -0.69 1.72 -0.62 1.20 0.00 0.00 173.24 175.40 2pyf n GLU 216 N -1.72 0.04 -0.16 5.44 -0.58 -1.26 -3.07 120.64 119.33 2pyf n GLU 216 Ca 0.06 0.11 0.11 0.00 -0.42 0.00 0.00 57.16 57.02 2pyf n GLU 216 Cb 0.60 -1.50 0.27 0.00 -0.57 0.00 0.00 31.44 30.23 2pyf n GLU 216 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2pyf n ASN 217 N -1.47 2.84 -4.91 1.62 3.02 -1.26 -4.96 115.26 110.14 2pyf n ASN 217 Ca 0.06 -1.91 -0.30 0.00 -0.03 0.00 0.00 54.58 52.40 2pyf n ASN 217 Cb 0.25 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.17 2pyf n ASN 217 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2pyf s ASP 218 N -1.48 6.43 0.51 6.41 1.01 -1.18 -5.09 116.67 123.28 2pyf s ASP 218 Ca 0.36 0.48 -0.19 0.00 0.71 0.00 0.00 52.55 53.91 2pyf s ASP 218 Cb 0.21 -2.04 -0.08 0.00 1.01 0.00 0.00 42.92 42.02 2pyf s ASP 218 CO 0.29 0.03 1.02 -1.61 0.21 0.00 0.00 175.17 175.10 2pyf s GLU 219 N -2.91 3.80 -0.30 8.23 8.01 -1.26 -4.98 118.70 129.29 2pyf s GLU 219 Ca 0.39 1.20 -0.02 0.00 0.01 0.00 0.00 54.97 56.56 2pyf s GLU 219 Cb -0.12 -2.10 0.19 0.00 -4.31 0.00 0.00 34.13 27.79 2pyf s GLU 219 CO 0.27 -0.41 0.70 -0.46 0.01 0.00 0.00 175.26 175.37 2pyf s TRP 220 N -2.25 -1.42 -0.73 1.61 -0.11 -1.26 -5.05 118.94 109.73 2pyf s TRP 220 Ca 0.64 1.23 0.03 0.00 1.22 0.00 0.00 56.10 59.22 2pyf s TRP 220 Cb -0.14 0.39 0.29 0.00 -1.50 0.00 0.00 33.47 32.52 2pyf s TRP 220 CO 0.25 -0.80 1.04 0.25 -4.62 0.00 0.00 176.95 173.07 2pyf n THR 221 N 5.41 3.46 -3.96 5.86 -2.24 -1.26 -5.04 114.28 116.51 2pyf n THR 221 Ca 0.01 -5.53 -0.09 0.00 -2.27 0.00 0.00 64.05 56.17 2pyf n THR 221 Cb 0.53 -1.82 -0.10 0.00 -2.10 0.00 0.00 70.33 66.85 2pyf n THR 221 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pyf s GLN 222 N -3.05 0.58 0.37 -0.78 -0.21 -1.26 -5.07 119.66 110.24 2pyf s GLN 222 Ca 0.41 -0.85 0.04 0.00 0.02 0.00 0.00 55.36 54.99 2pyf s GLN 222 Cb 0.18 0.22 0.71 0.00 1.00 0.00 0.00 33.01 35.12 2pyf s GLN 222 CO -0.05 -0.14 2.00 0.38 -2.12 0.00 0.00 175.29 175.37 2pyf h ASP 223 N 3.61 0.58 -4.09 5.90 -0.00 -2.08 -3.43 116.42 116.91 2pyf h ASP 223 Ca -0.33 -0.04 -0.45 0.00 -0.00 0.00 0.00 57.03 56.22 2pyf h ASP 223 Cb 1.18 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 40.35 2pyf h ASP 223 CO 0.53 0.47 0.35 0.00 -0.00 0.00 0.00 179.24 180.59 2pyf s ARG 224 N -5.47 4.12 0.57 4.15 1.70 -1.26 -5.01 118.95 117.75 2pyf s ARG 224 Ca -0.09 1.11 -0.20 0.00 -0.47 0.00 0.00 55.73 56.08 2pyf s ARG 224 Cb 0.17 -2.16 -0.06 0.00 -0.57 0.00 0.00 34.95 32.33 2pyf s ARG 224 CO 0.75 -0.13 1.04 0.00 -1.08 0.00 0.00 175.30 175.88 2pyf n ALA 225 N -0.88 0.41 -1.97 7.88 0.00 -1.26 -4.91 120.51 119.77 2pyf n ALA 225 Ca 0.07 0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 2pyf n ALA 225 Cb 0.54 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.81 2pyf n ALA 225 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2pyf s LYS 226 N -2.68 4.23 -1.46 0.00 2.20 -1.26 -4.90 119.74 115.87 2pyf s LYS 226 Ca 0.73 2.31 -0.14 0.00 -0.36 0.00 0.00 55.97 58.51 2pyf s LYS 226 Cb -0.44 -3.22 0.03 0.00 -1.51 0.00 0.00 37.83 32.69 2pyf s LYS 226 CO 0.49 -0.59 2.28 -0.35 -0.36 0.00 0.00 175.35 176.82 2pyf n PRO 227 N 4.15 2.90 -1.92 4.03 -0.04 -1.26 -4.95 135.00 137.89 2pyf n PRO 227 Ca 0.14 -2.55 -0.29 0.00 -0.04 0.00 0.00 63.50 60.75 2pyf n PRO 227 Cb 0.39 -3.24 0.12 0.00 -0.04 0.00 0.00 33.50 30.73 2pyf n PRO 227 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2pyf s VAL 228 N 3.15 2.01 0.13 0.52 -7.23 -1.26 -1.15 120.40 116.56 2pyf s VAL 228 Ca 0.49 -0.01 -0.32 0.00 -1.81 0.00 0.00 61.98 60.33 2pyf s VAL 228 Cb 0.14 -3.00 -0.11 0.00 0.56 0.00 0.00 36.38 33.98 2pyf s VAL 228 CO -0.08 0.00 1.81 0.41 -0.31 0.00 0.00 175.10 176.93 2pyf n THR 229 N -3.43 0.30 -3.89 5.32 -1.04 -1.02 -4.27 114.28 106.26 2pyf n THR 229 Ca 0.10 -0.05 -0.10 0.00 -2.04 0.00 0.00 64.05 61.96 2pyf n THR 229 Cb 0.61 -2.06 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 2pyf n THR 229 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pyf s GLN 230 N 2.46 2.10 -0.06 -2.82 -2.07 0.46 -4.91 119.66 114.83 2pyf s GLN 230 Ca 0.81 -1.47 0.04 0.00 -1.82 0.00 0.00 55.36 52.93 2pyf s GLN 230 Cb -0.50 0.58 -0.00 0.00 -1.09 0.00 0.00 33.01 31.99 2pyf s GLN 230 CO 0.37 -0.95 -0.19 0.42 -1.32 0.00 0.00 175.29 173.62 2pyf s ILE 231 N -2.69 1.58 -0.06 3.63 1.01 -1.26 0.55 121.20 123.96 2pyf s ILE 231 Ca 0.19 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 60.09 2pyf s ILE 231 Cb -0.04 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 41.07 2pyf s ILE 231 CO 0.13 0.45 -0.17 -0.69 0.00 0.00 0.00 174.94 174.67 2pyf s VAL 232 N 0.16 1.43 0.22 2.92 1.01 -0.70 -4.97 120.40 120.47 2pyf s VAL 232 Ca -0.08 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 2pyf s VAL 232 Cb -0.14 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 2pyf s VAL 232 CO 0.04 0.42 0.11 -0.94 0.00 0.00 0.00 175.10 174.73 2pyf s SER 233 N 0.33 0.61 0.05 3.32 1.04 -1.26 -0.82 113.70 116.96 2pyf s SER 233 Ca -0.11 -1.38 -0.05 0.00 0.48 0.00 0.00 55.95 54.90 2pyf s SER 233 Cb -0.14 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 2pyf s SER 233 CO 0.04 -0.79 0.08 0.00 0.98 0.00 0.00 173.24 173.55 2pyf s ALA 234 N -3.98 0.04 0.15 5.32 0.00 -0.61 -4.86 121.76 117.81 2pyf s ALA 234 Ca 0.38 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.57 2pyf s ALA 234 Cb 0.07 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 2pyf s ALA 234 CO 0.12 -0.34 0.24 -1.83 0.00 0.00 0.00 175.76 173.95 2pyf s GLU 235 N -2.96 1.07 -0.09 0.00 -1.05 -1.26 -1.43 118.70 112.98 2pyf s GLU 235 Ca -0.02 -1.17 -0.23 0.00 -0.15 0.00 0.00 54.97 53.40 2pyf s GLU 235 Cb 0.01 0.35 0.05 0.00 -0.44 0.00 0.00 34.13 34.10 2pyf s GLU 235 CO -0.06 -0.37 0.54 0.00 0.95 0.00 0.00 175.26 176.32 2pyf s ALA 236 N -3.96 -1.39 0.05 -0.84 0.00 -0.59 -4.89 121.76 110.14 2pyf s ALA 236 Ca 0.16 1.14 0.04 0.00 0.00 0.00 0.00 51.96 53.30 2pyf s ALA 236 Cb 0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 2pyf s ALA 236 CO -0.02 -0.31 -0.04 -1.58 0.00 0.00 0.00 175.76 173.81 2pyf s TRP 237 N -0.77 2.91 0.69 0.00 0.52 -1.26 -0.59 118.94 120.44 2pyf s TRP 237 Ca -0.08 -0.04 -0.17 0.00 0.02 0.00 0.00 56.10 55.83 2pyf s TRP 237 Cb -0.03 -1.56 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 2pyf s TRP 237 CO 0.06 0.43 0.52 0.41 0.02 0.00 0.00 176.95 178.38 2pyf n GLY 238 N 1.05 -1.54 2.90 0.98 0.00 -0.08 -4.99 105.19 103.51 2pyf n GLY 238 Ca -0.13 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 2pyf n GLY 238 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pyf s ARG 239 N -2.60 1.47 0.60 1.61 3.52 0.34 -4.03 118.95 119.86 2pyf s ARG 239 Ca 0.66 -0.60 -0.18 0.00 -0.13 0.00 0.00 55.73 55.48 2pyf s ARG 239 Cb -0.37 -2.13 -0.08 0.00 -1.56 0.00 0.00 34.95 30.82 2pyf s ARG 239 CO 0.57 -0.46 0.57 0.00 -0.81 0.00 0.00 175.30 175.17 2pyf n ALA 240 N 4.84 -1.05 1.82 6.12 0.00 -1.06 -4.25 120.51 126.92 2pyf n ALA 240 Ca -0.12 -0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.42 2pyf n ALA 240 Cb 0.47 -1.86 0.79 0.00 0.00 0.00 0.00 19.45 18.85 2pyf n ALA 240 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03