#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hki s VAL 17 N 0.00 5.17 -1.60 1.39 -7.23 0.28 -4.15 120.40 114.27 3hki s VAL 17 Ca 0.00 0.09 -0.03 0.00 -1.81 0.00 0.00 61.98 60.23 3hki s VAL 17 Cb 0.00 -3.27 0.00 0.00 0.56 0.00 0.00 36.38 33.67 3hki s VAL 17 CO 0.00 0.57 0.44 -0.62 -0.31 0.00 0.00 175.10 175.18 3hki n GLU 18 N 2.47 -3.98 -0.01 4.82 -0.58 -1.26 -2.34 120.64 119.76 3hki n GLU 18 Ca -0.19 0.93 0.00 0.00 -0.42 0.00 0.00 57.16 57.48 3hki n GLU 18 Cb 0.54 -5.71 0.00 0.00 -0.57 0.00 0.00 31.44 25.70 3hki n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hki n GLY 19 N -1.38 4.87 3.22 0.62 0.00 -1.26 -4.47 105.19 106.79 3hki n GLY 19 Ca -0.15 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 3hki n GLY 19 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hki s TRP 20 N 1.49 0.05 0.07 1.61 -2.14 0.01 -4.91 118.94 115.13 3hki s TRP 20 Ca 0.00 -0.38 -0.36 0.00 2.66 0.00 0.00 56.10 58.01 3hki s TRP 20 Cb 0.00 0.01 -0.16 0.00 -3.10 0.00 0.00 33.47 30.22 3hki s TRP 20 CO 0.00 -0.54 1.43 -0.25 -2.66 0.00 0.00 176.95 174.93 3hki n ASP 21 N 0.14 2.04 -4.81 -2.66 9.92 -1.26 -0.88 116.55 119.03 3hki n ASP 21 Ca -0.16 1.10 -0.32 0.00 -0.53 0.00 0.00 54.79 54.88 3hki n ASP 21 Cb 0.62 -1.24 0.03 0.00 -0.64 0.00 0.00 41.12 39.88 3hki n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hki s ALA 22 N 0.88 2.73 0.22 2.24 0.00 -0.09 -4.80 121.76 122.95 3hki s ALA 22 Ca 0.84 0.23 -0.09 0.00 0.00 0.00 0.00 51.96 52.94 3hki s ALA 22 Cb -0.90 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 18.95 3hki s ALA 22 CO 0.46 -0.97 0.54 -1.21 0.00 0.00 0.00 175.76 174.58 3hki s GLU 23 N -4.55 3.79 0.27 0.00 8.01 -1.26 -4.94 118.70 120.03 3hki s GLU 23 Ca 0.61 0.25 -0.29 0.00 0.01 0.00 0.00 54.97 55.55 3hki s GLU 23 Cb -0.15 -2.67 -0.14 0.00 -4.31 0.00 0.00 34.13 26.87 3hki s GLU 23 CO 0.45 0.33 1.12 1.63 0.01 0.00 0.00 175.26 178.80 3hki n LYS 24 N -0.10 1.51 -1.00 1.61 4.01 -1.26 -1.77 118.16 121.15 3hki n LYS 24 Ca 0.00 0.53 -0.00 0.00 -0.51 0.00 0.00 58.31 58.33 3hki n LYS 24 Cb 0.52 -1.98 -0.00 0.00 -0.51 0.00 0.00 35.03 33.06 3hki n LYS 24 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hki n GLY 25 N 1.39 0.03 0.28 0.72 0.00 -1.26 -4.83 105.19 101.53 3hki n GLY 25 Ca 0.10 -0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.27 3hki n GLY 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hki h ILE 26 N 0.00 0.36 -1.48 -0.61 2.10 -1.72 -3.27 117.51 112.88 3hki h ILE 26 Ca -0.00 -0.41 -0.47 0.00 1.08 0.00 0.00 64.86 65.05 3hki h ILE 26 Cb 0.96 1.30 -0.32 0.00 -1.09 0.00 0.00 36.82 37.66 3hki h ILE 26 CO 0.00 0.07 -0.94 0.00 -1.08 0.00 0.00 178.15 176.20 3hki n ALA 27 N -2.21 1.41 0.06 0.18 0.00 -1.26 -5.00 120.51 113.69 3hki n ALA 27 Ca -0.02 -2.86 0.04 0.00 0.00 0.00 0.00 53.44 50.60 3hki n ALA 27 Cb 0.21 -0.95 0.21 0.00 0.00 0.00 0.00 19.45 18.92 3hki n ALA 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hki n PRO 28 N 1.52 0.05 0.00 0.00 -0.04 -1.24 -0.99 135.00 134.30 3hki n PRO 28 Ca 0.18 0.52 0.13 0.00 -0.04 0.00 0.00 63.50 64.29 3hki n PRO 28 Cb 0.55 -1.71 0.33 0.00 -0.04 0.00 0.00 33.50 32.64 3hki n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3hki n TRP 29 N -1.75 0.00 -2.14 0.54 2.14 -1.00 -2.05 117.44 113.19 3hki n TRP 29 Ca -0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 3hki n TRP 29 Cb 0.06 -0.05 -0.03 0.00 -0.81 0.00 0.00 31.31 30.48 3hki n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3hki s GLN 30 N -2.28 4.32 0.03 -2.67 2.00 -0.16 -0.96 119.66 119.95 3hki s GLN 30 Ca 0.28 2.12 0.08 0.00 -2.00 0.00 0.00 55.36 55.84 3hki s GLN 30 Cb 0.20 -3.21 -0.02 0.00 0.80 0.00 0.00 33.01 30.77 3hki s GLN 30 CO 0.44 -0.41 -0.23 0.08 -0.50 0.00 0.00 175.29 174.67 3hki s VAL 31 N 0.75 1.86 -0.24 1.34 1.01 -0.16 -3.92 120.40 121.03 3hki s VAL 31 Ca 0.63 -1.21 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 3hki s VAL 31 Cb -0.38 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 3hki s VAL 31 CO 0.34 0.33 0.08 -0.32 0.00 0.00 0.00 175.10 175.52 3hki s MET 32 N -1.06 3.72 -0.30 2.72 1.75 -0.22 -0.95 119.30 124.96 3hki s MET 32 Ca 0.09 -0.45 -0.20 0.00 -1.25 0.00 0.00 55.69 53.88 3hki s MET 32 Cb -0.09 -3.33 -0.01 0.00 2.84 0.00 0.00 34.83 34.24 3hki s MET 32 CO 0.01 -0.11 0.62 -1.17 -0.65 0.00 0.00 175.02 173.72 3hki s LEU 33 N 1.42 4.14 -0.06 4.11 2.96 0.23 -1.57 118.68 129.92 3hki s LEU 33 Ca 0.06 0.43 0.04 0.00 -0.22 0.00 0.00 54.13 54.43 3hki s LEU 33 Cb -0.15 -2.80 -0.02 0.00 0.50 0.00 0.00 46.19 43.72 3hki s LEU 33 CO 0.04 -0.47 -0.16 0.12 -1.32 0.00 0.00 176.35 174.56 3hki s PHE 34 N 2.59 2.66 -0.07 5.38 2.19 -0.37 -0.40 117.98 129.96 3hki s PHE 34 Ca 0.25 -0.31 -0.22 0.00 0.33 0.00 0.00 56.93 56.98 3hki s PHE 34 Cb -0.15 -1.65 -0.04 0.00 -1.31 0.00 0.00 43.02 39.87 3hki s PHE 34 CO 0.12 0.07 0.64 0.50 1.83 0.00 0.00 175.22 178.37 3hki s ARG 35 N -0.50 4.41 0.05 10.12 3.52 -0.37 -1.83 118.95 134.34 3hki s ARG 35 Ca 0.06 0.78 -0.35 0.00 -0.13 0.00 0.00 55.73 56.09 3hki s ARG 35 Cb -0.12 -3.43 -0.19 0.00 -1.56 0.00 0.00 34.95 29.65 3hki s ARG 35 CO 0.01 0.12 1.46 0.87 -0.81 0.00 0.00 175.30 176.95 3hki h LYS 36 N 6.62 -1.19 -3.35 5.12 1.57 -1.60 -3.23 116.57 120.51 3hki h LYS 36 Ca -0.41 0.08 -0.39 0.00 -1.87 0.00 0.00 60.65 58.06 3hki h LYS 36 Cb 1.19 0.27 -0.39 0.00 0.08 0.00 0.00 32.23 33.38 3hki h LYS 36 CO 0.75 -0.79 -0.74 0.45 -0.57 0.00 0.00 179.45 178.54 3hki s SER 36 N -4.14 1.31 0.65 0.86 0.15 -1.26 -3.12 113.70 108.15 3hki s SER 36 Ca -0.18 -0.00 -0.13 0.00 0.70 0.00 0.00 55.95 56.34 3hki s SER 36 Cb 0.02 -0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 64.12 3hki s SER 36 CO 0.56 -0.25 1.05 -2.16 1.20 0.00 0.00 173.24 173.64 3hki s PRO 37 N 2.14 3.15 0.42 5.44 0.04 -1.26 -5.09 135.00 139.84 3hki s PRO 37 Ca 0.05 1.02 -0.25 0.00 0.04 0.00 0.00 61.00 61.85 3hki s PRO 37 Cb -0.12 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 3hki s PRO 37 CO -0.04 -0.93 1.27 -0.65 0.04 0.00 0.00 177.00 176.69 3hki s GLN 38 N -4.71 3.89 0.00 4.56 -0.21 -1.18 -4.70 119.66 117.31 3hki s GLN 38 Ca 0.60 2.07 0.00 0.00 0.02 0.00 0.00 55.36 58.04 3hki s GLN 38 Cb -0.14 -2.66 0.00 0.00 1.00 0.00 0.00 33.01 31.21 3hki s GLN 38 CO 0.48 -0.53 0.00 -0.85 -2.12 0.00 0.00 175.29 172.27 3hki n GLU 39 N -0.05 0.00 -2.20 2.91 0.28 -1.22 -4.96 120.64 115.39 3hki n GLU 39 Ca 0.05 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.63 3hki n GLU 39 Cb 0.45 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.29 3hki n GLU 39 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3hki s LEU 40 N 0.00 4.36 -0.19 -1.84 2.96 -1.26 -1.24 118.68 121.47 3hki s LEU 40 Ca 0.00 2.26 -0.07 0.00 -0.22 0.00 0.00 54.13 56.11 3hki s LEU 40 Cb 0.00 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 3hki s LEU 40 CO 0.00 -0.64 -0.23 0.18 -1.32 0.00 0.00 176.35 174.34 3hki n LEU 41 N 4.15 1.84 -3.83 -0.68 4.77 0.46 -4.90 117.00 118.81 3hki n LEU 41 Ca 0.11 0.14 -0.07 0.00 -0.03 0.00 0.00 56.01 56.16 3hki n LEU 41 Cb 0.43 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3hki n LEU 41 CO 0.58 0.52 0.53 0.00 -1.33 0.00 0.00 177.39 177.70 3hki s GLY 43 N -3.01 1.78 0.10 0.00 0.00 0.80 -0.60 107.32 106.39 3hki s GLY 43 Ca 0.14 -1.77 -0.25 0.00 0.00 0.00 0.00 44.72 42.84 3hki s GLY 43 CO 0.09 -1.32 1.13 0.00 0.00 0.00 0.00 173.10 173.00 3hki s ALA 44 N -2.87 -1.92 0.01 3.20 0.00 -0.12 -3.21 121.76 116.85 3hki s ALA 44 Ca 0.62 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.48 3hki s ALA 44 Cb -0.07 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 3hki s ALA 44 CO 0.41 -1.09 0.07 -1.54 0.00 0.00 0.00 175.76 173.61 3hki s SER 45 N -3.42 0.10 -0.37 0.00 1.04 0.44 -0.99 113.70 110.51 3hki s SER 45 Ca 0.22 -0.30 -0.16 0.00 0.48 0.00 0.00 55.95 56.19 3hki s SER 45 Cb -0.01 0.16 -0.00 0.00 0.10 0.00 0.00 66.02 66.27 3hki s SER 45 CO 0.02 -0.32 0.39 -0.22 0.98 0.00 0.00 173.24 174.10 3hki s LEU 46 N -1.32 4.58 0.00 2.42 2.96 -0.13 0.18 118.68 127.36 3hki s LEU 46 Ca -0.14 -0.37 0.20 0.00 -0.22 0.00 0.00 54.13 53.60 3hki s LEU 46 Cb -0.08 -2.37 -0.13 0.00 0.50 0.00 0.00 46.19 44.11 3hki s LEU 46 CO 0.00 -0.42 0.90 2.30 -1.32 0.00 0.00 176.35 177.81 3hki n ILE 47 N 5.31 0.00 -3.84 6.68 -5.35 -0.96 -1.17 119.36 120.04 3hki n ILE 47 Ca -0.08 -0.13 -0.02 0.00 -0.27 0.00 0.00 62.75 62.24 3hki n ILE 47 Cb 0.49 1.09 0.02 0.00 -1.74 0.00 0.00 39.64 39.50 3hki n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3hki n SER 48 N -0.92 -1.43 -0.11 7.28 3.41 -1.21 -4.61 113.62 116.03 3hki n SER 48 Ca 0.05 -1.73 0.15 0.00 -0.26 0.00 0.00 58.87 57.09 3hki n SER 48 Cb 0.35 2.32 0.84 0.00 -0.26 0.00 0.00 64.21 67.46 3hki n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hki n ASP 49 N -1.17 0.35 0.00 4.04 5.75 -1.26 -3.92 116.55 120.34 3hki n ASP 49 Ca -0.01 -1.07 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 3hki n ASP 49 Cb 0.49 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 3hki n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3hki n ARG 50 N -0.74 2.34 -4.97 0.11 1.74 -1.26 -1.30 116.66 112.58 3hki n ARG 50 Ca 0.22 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.98 3hki n ARG 50 Cb 0.17 -0.97 -0.14 0.00 -1.02 0.00 0.00 32.46 30.51 3hki n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3hki s TRP 51 N -1.91 2.63 -0.02 -1.55 0.52 -1.25 0.14 118.94 117.49 3hki s TRP 51 Ca 0.00 -0.27 0.05 0.00 0.02 0.00 0.00 56.10 55.90 3hki s TRP 51 Cb 0.00 -1.62 -0.01 0.00 -1.15 0.00 0.00 33.47 30.69 3hki s TRP 51 CO 0.00 0.10 -0.17 0.08 0.02 0.00 0.00 176.95 176.98 3hki s VAL 52 N -0.61 1.39 -0.10 4.03 1.01 0.47 -2.25 120.40 124.33 3hki s VAL 52 Ca 0.09 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 3hki s VAL 52 Cb -0.11 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 3hki s VAL 52 CO 0.01 0.39 0.07 -0.22 0.00 0.00 0.00 175.10 175.35 3hki s LEU 53 N -0.30 3.96 0.38 3.92 2.96 0.13 0.11 118.68 129.84 3hki s LEU 53 Ca 0.04 0.29 -0.11 0.00 -0.22 0.00 0.00 54.13 54.14 3hki s LEU 53 Cb -0.08 -1.94 0.04 0.00 0.50 0.00 0.00 46.19 44.71 3hki s LEU 53 CO 0.00 0.39 0.70 0.28 -1.32 0.00 0.00 176.35 176.39 3hki s THR 54 N -0.91 0.00 0.22 3.68 -1.32 -0.77 -0.42 115.64 116.13 3hki s THR 54 Ca 0.14 -1.20 -0.26 0.00 -1.21 0.00 0.00 61.69 59.16 3hki s THR 54 Cb -0.12 -2.87 -0.09 0.00 -1.51 0.00 0.00 72.50 67.91 3hki s THR 54 CO 0.03 0.00 0.84 0.00 -2.21 0.00 0.00 174.62 173.28 3hki s ALA 55 N -2.40 3.37 0.29 11.08 0.00 -1.25 -1.53 121.76 131.32 3hki s ALA 55 Ca 0.21 0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.57 3hki s ALA 55 Cb -0.04 -3.04 0.42 0.00 0.00 0.00 0.00 23.12 20.47 3hki s ALA 55 CO 0.15 0.26 1.96 0.00 0.00 0.00 0.00 175.76 178.13 3hki h ALA 56 N 3.91 1.39 0.00 0.00 0.00 -1.69 -1.70 119.26 121.18 3hki h ALA 56 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3hki h ALA 56 Cb 1.20 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3hki h ALA 56 CO 0.66 0.56 0.00 -2.39 0.00 0.00 0.00 179.25 178.08 3hki n HIS 57 N -4.40 0.10 0.19 0.00 1.44 -1.26 -0.88 115.22 110.42 3hki n HIS 57 Ca 0.09 0.04 0.07 0.00 -2.01 0.00 0.00 57.72 55.92 3hki n HIS 57 Cb 0.03 -0.57 0.29 0.00 0.12 0.00 0.00 29.99 29.86 3hki n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hki n ILE 59 N -3.33 1.52 -4.03 0.00 2.08 -0.39 -4.92 119.36 110.28 3hki n ILE 59 Ca 0.01 -0.20 -0.31 0.00 0.56 0.00 0.00 62.75 62.81 3hki n ILE 59 Cb 0.54 -2.04 -0.16 0.00 -0.75 0.00 0.00 39.64 37.23 3hki n ILE 59 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 3hki s LEU 60 N -7.67 2.05 0.23 1.39 2.96 -0.05 -1.96 118.68 115.62 3hki s LEU 60 Ca -0.35 -0.69 -0.17 0.00 -0.22 0.00 0.00 54.13 52.70 3hki s LEU 60 Cb 0.11 -1.28 0.02 0.00 0.50 0.00 0.00 46.19 45.54 3hki s LEU 60 CO 0.47 -0.08 0.56 -0.47 -1.32 0.00 0.00 176.35 175.51 3hki s TYR 60 N 1.40 -0.00 0.00 5.38 5.04 0.06 -4.19 117.35 125.03 3hki s TYR 60 Ca 0.02 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.28 3hki s TYR 60 Cb -0.14 0.41 0.00 0.00 0.35 0.00 0.00 41.96 42.58 3hki s TYR 60 CO -0.10 -1.01 0.00 -2.30 -1.34 0.00 0.00 175.55 170.79 3hki n PRO 60 N -0.38 0.00 -0.70 4.97 -0.02 -1.26 -2.26 135.00 135.35 3hki n PRO 60 Ca -0.06 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.47 3hki n PRO 60 Cb 0.61 0.00 0.30 0.00 -0.02 0.00 0.00 33.50 34.40 3hki n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3hki n TRP 60 N 0.00 1.53 -3.89 6.00 7.02 -1.26 -4.94 117.44 121.90 3hki n TRP 60 Ca 0.00 -0.95 -0.29 0.00 -1.02 0.00 0.00 57.50 55.24 3hki n TRP 60 Cb 0.00 -0.45 0.02 0.00 -2.42 0.00 0.00 31.31 28.47 3hki n TRP 60 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3hki n ASP 60 N -0.19 -4.02 -4.45 -0.99 4.64 -1.18 -4.95 116.55 105.40 3hki n ASP 60 Ca 0.27 -0.80 -0.36 0.00 -1.38 0.00 0.00 54.79 52.53 3hki n ASP 60 Cb 1.08 -3.86 -0.12 0.00 -1.04 0.00 0.00 41.12 37.17 3hki n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 3hki s LYS 60 N -6.52 3.65 -0.49 -0.67 2.20 -0.96 -5.01 119.74 111.94 3hki s LYS 60 Ca 0.54 -0.49 0.07 0.00 -0.36 0.00 0.00 55.97 55.72 3hki s LYS 60 Cb -0.27 -3.21 0.18 0.00 -1.51 0.00 0.00 37.83 33.02 3hki s LYS 60 CO 0.83 -0.09 0.65 1.21 -0.36 0.00 0.00 175.35 177.59 3hki s ASN 60 N 1.31 -0.94 0.23 1.43 2.47 -1.24 -0.76 114.94 117.43 3hki s ASN 60 Ca 0.04 -1.85 -0.21 0.00 0.42 0.00 0.00 52.86 51.27 3hki s ASN 60 Cb -0.15 1.51 -0.08 0.00 -1.45 0.00 0.00 41.25 41.08 3hki s ASN 60 CO 0.02 -0.09 0.76 -0.36 -3.72 0.00 0.00 177.10 173.72 3hki s PHE 60 N 0.86 3.68 0.32 0.43 0.08 -0.83 -5.04 117.98 117.48 3hki s PHE 60 Ca 0.29 1.47 0.08 0.00 0.12 0.00 0.00 56.93 58.89 3hki s PHE 60 Cb -0.00 -2.67 -0.04 0.00 -0.57 0.00 0.00 43.02 39.73 3hki s PHE 60 CO -0.07 0.34 0.16 0.95 -0.10 0.00 0.00 175.22 176.49 3hki s THR 60 N -1.49 3.33 0.42 0.64 -4.23 -1.26 -4.90 115.64 108.15 3hki s THR 60 Ca 0.43 -1.63 0.26 0.00 -1.18 0.00 0.00 61.69 59.57 3hki s THR 60 Cb -0.18 -3.04 0.45 0.00 1.34 0.00 0.00 72.50 71.07 3hki s THR 60 CO 0.22 -0.23 1.65 -0.33 -0.54 0.00 0.00 174.62 175.39 3hki h GLU 61 N 1.53 0.15 0.00 3.99 3.07 -1.94 0.72 114.58 122.11 3hki h GLU 61 Ca -0.44 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3hki h GLU 61 Cb 1.25 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3hki h GLU 61 CO 0.62 0.10 -0.06 0.09 -1.40 0.00 0.00 179.01 178.36 3hki n ASN 62 N -4.74 0.25 0.20 1.42 4.13 -1.26 -3.51 115.26 111.75 3hki n ASN 62 Ca 0.34 0.44 0.09 0.00 1.68 0.00 0.00 54.58 57.14 3hki n ASN 62 Cb 1.28 -0.48 0.19 0.00 -1.54 0.00 0.00 39.78 39.23 3hki n ASN 62 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3hki h ASP 63 N 0.00 0.00 -1.72 6.41 3.32 -1.24 -3.47 116.42 119.71 3hki h ASP 63 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 3hki h ASP 63 Cb 0.56 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.98 3hki h ASP 63 CO 0.00 0.20 -0.55 -0.76 -1.72 0.00 0.00 179.24 176.41 3hki s LEU 64 N -6.36 2.33 0.21 1.55 1.43 -1.23 -1.51 118.68 115.11 3hki s LEU 64 Ca 0.05 -1.56 -0.20 0.00 -1.03 0.00 0.00 54.13 51.39 3hki s LEU 64 Cb 0.07 -0.57 0.04 0.00 0.03 0.00 0.00 46.19 45.76 3hki s LEU 64 CO 0.68 -0.75 0.62 -1.48 0.23 0.00 0.00 176.35 175.65 3hki s LEU 65 N -3.72 -0.25 0.15 1.79 0.05 -0.76 -4.48 118.68 111.46 3hki s LEU 65 Ca 0.21 -0.37 0.11 0.00 0.05 0.00 0.00 54.13 54.13 3hki s LEU 65 Cb 0.05 2.49 -0.04 0.00 -2.05 0.00 0.00 46.19 46.64 3hki s LEU 65 CO 0.11 -1.13 -0.26 0.68 -0.55 0.00 0.00 176.35 175.20 3hki s VAL 66 N -3.85 2.32 -0.14 1.48 -7.23 -0.73 -1.23 120.40 111.02 3hki s VAL 66 Ca 0.07 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 3hki s VAL 66 Cb -0.03 -2.05 0.02 0.00 0.56 0.00 0.00 36.38 34.89 3hki s VAL 66 CO -0.03 0.04 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.54 3hki s ARG 67 N -2.22 2.21 0.13 4.82 0.52 -0.61 -1.53 118.95 122.28 3hki s ARG 67 Ca 0.16 -0.53 0.07 0.00 -0.52 0.00 0.00 55.73 54.92 3hki s ARG 67 Cb -0.10 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 3hki s ARG 67 CO 0.07 -0.21 -0.08 0.42 0.02 0.00 0.00 175.30 175.52 3hki s ILE 68 N 1.43 3.41 -0.59 1.52 1.01 -0.03 -1.06 121.20 126.89 3hki s ILE 68 Ca 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.31 3hki s ILE 68 Cb -0.13 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.70 3hki s ILE 68 CO -0.09 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.49 3hki n GLY 69 N 0.42 0.81 3.91 6.18 0.00 -1.25 -1.23 105.19 114.02 3hki n GLY 69 Ca -0.12 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 3hki n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hki s LYS 70 N -2.30 3.09 0.22 1.61 1.02 -1.26 -4.20 119.74 117.92 3hki s LYS 70 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.07 3hki s LYS 70 Cb 0.00 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 3hki s LYS 70 CO 0.00 -0.58 0.00 1.58 -0.92 0.00 0.00 175.35 175.43 3hki n HIS 71 N -2.52 -1.87 -2.26 3.18 -0.00 -1.26 -4.93 115.22 105.56 3hki n HIS 71 Ca 0.04 0.33 -0.38 0.00 -0.00 0.00 0.00 57.72 57.71 3hki n HIS 71 Cb 0.57 0.51 -0.01 0.00 -0.00 0.00 0.00 29.99 31.06 3hki n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3hki s SER 72 N -4.91 6.30 0.10 0.26 0.15 -1.26 -0.20 113.70 114.14 3hki s SER 72 Ca 0.00 2.34 -0.13 0.00 0.70 0.00 0.00 55.95 58.86 3hki s SER 72 Cb 0.00 -2.61 -0.14 0.00 -1.71 0.00 0.00 66.02 61.56 3hki s SER 72 CO 0.00 -0.83 1.33 -0.09 1.20 0.00 0.00 173.24 174.85 3hki h ARG 73 N 2.29 0.79 0.00 5.44 2.43 -1.58 -3.40 114.38 120.35 3hki h ARG 73 Ca -0.49 -0.60 -0.00 0.00 -0.81 0.00 0.00 59.98 58.08 3hki h ARG 73 Cb 1.24 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3hki h ARG 73 CO 0.61 1.21 -1.48 0.25 -1.51 0.00 0.00 179.97 179.06 3hki n THR 74 N -4.00 0.02 -2.67 0.20 -2.24 -1.26 -5.02 114.28 99.31 3hki n THR 74 Ca -0.07 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.09 3hki n THR 74 Cb 0.69 0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 3hki n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hki s ARG 75 N -2.71 4.58 -0.52 -0.78 1.81 -1.26 -4.96 118.95 115.11 3hki s ARG 75 Ca -0.04 1.50 -0.28 0.00 -1.72 0.00 0.00 55.73 55.19 3hki s ARG 75 Cb 0.07 -2.95 0.02 0.00 -0.45 0.00 0.00 34.95 31.64 3hki s ARG 75 CO 0.43 0.25 1.29 -0.47 -0.68 0.00 0.00 175.30 176.11 3hki s TYR 76 N -1.42 2.51 -1.25 -0.53 6.04 -1.26 -4.84 117.35 116.60 3hki s TYR 76 Ca 0.48 0.54 -0.10 0.00 0.04 0.00 0.00 57.07 58.03 3hki s TYR 76 Cb -0.24 -4.43 0.18 0.00 -1.04 0.00 0.00 41.96 36.43 3hki s TYR 76 CO 0.30 -1.71 1.73 0.39 -1.54 0.00 0.00 175.55 174.72 3hki n GLU 77 N 8.32 3.60 -1.58 4.97 1.02 -1.26 -5.01 120.64 130.71 3hki n GLU 77 Ca 0.12 -3.68 -0.40 0.00 -0.02 0.00 0.00 57.16 53.18 3hki n GLU 77 Cb 0.49 -2.93 0.03 0.00 -0.02 0.00 0.00 31.44 29.01 3hki n GLU 77 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3hki n ARG 77 N 4.17 1.02 -0.93 3.49 1.85 -1.26 -1.49 116.66 123.51 3hki n ARG 77 Ca 0.38 0.38 0.00 0.00 -1.00 0.00 0.00 57.85 57.61 3hki n ARG 77 Cb 0.38 -1.99 0.00 0.00 -1.05 0.00 0.00 32.46 29.80 3hki n ARG 77 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3hki n ASN 78 N 0.17 -3.84 0.05 2.89 3.02 -1.26 -4.67 115.26 111.63 3hki n ASN 78 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 3hki n ASN 78 Cb 0.43 -2.24 0.00 0.00 -0.61 0.00 0.00 39.78 37.36 3hki n ASN 78 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3hki n VAL 79 N -2.28 0.18 -2.32 2.41 0.31 -0.80 -5.08 118.33 110.75 3hki n VAL 79 Ca 0.00 0.06 -0.30 0.00 -0.01 0.00 0.00 64.34 64.09 3hki n VAL 79 Cb 0.25 -0.83 -0.01 0.00 -0.91 0.00 0.00 33.84 32.34 3hki n VAL 79 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3hki s GLU 80 N -2.00 3.66 -0.05 5.55 -1.05 -0.55 -4.73 118.70 119.53 3hki s GLU 80 Ca 0.00 0.58 0.03 0.00 -0.15 0.00 0.00 54.97 55.42 3hki s GLU 80 Cb 0.00 -2.22 0.01 0.00 -0.44 0.00 0.00 34.13 31.48 3hki s GLU 80 CO 0.00 -0.34 -0.11 0.15 0.95 0.00 0.00 175.26 175.91 3hki s LYS 81 N -4.69 1.40 -0.00 -4.83 -0.14 -0.37 -4.87 119.74 106.24 3hki s LYS 81 Ca 0.53 -0.38 -0.02 0.00 -1.36 0.00 0.00 55.97 54.73 3hki s LYS 81 Cb -0.11 -1.21 -0.04 0.00 -1.68 0.00 0.00 37.83 34.79 3hki s LYS 81 CO 0.45 0.08 0.19 0.42 -0.76 0.00 0.00 175.35 175.72 3hki s ILE 82 N 0.44 5.43 -0.09 2.17 1.01 -1.26 -0.85 121.20 128.05 3hki s ILE 82 Ca -0.09 -0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 3hki s ILE 82 Cb -0.13 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.82 3hki s ILE 82 CO 0.02 0.31 0.27 -0.55 0.00 0.00 0.00 174.94 174.99 3hki s SER 83 N -1.99 -0.27 0.62 3.58 0.15 -0.58 -4.99 113.70 110.23 3hki s SER 83 Ca 0.28 0.50 -0.09 0.00 0.70 0.00 0.00 55.95 57.34 3hki s SER 83 Cb -0.13 0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 64.71 3hki s SER 83 CO 0.20 -0.12 0.98 -0.04 1.20 0.00 0.00 173.24 175.46 3hki s MET 84 N 0.03 3.09 -0.25 5.44 -1.94 -1.26 -1.77 119.30 122.64 3hki s MET 84 Ca -0.01 0.32 -0.09 0.00 -1.71 0.00 0.00 55.69 54.20 3hki s MET 84 Cb -0.02 -2.16 -0.04 0.00 2.01 0.00 0.00 34.83 34.62 3hki s MET 84 CO 0.01 -0.74 0.12 -0.51 -0.01 0.00 0.00 175.02 173.89 3hki s LEU 85 N -5.13 3.80 0.05 -0.03 1.43 -1.26 -1.56 118.68 115.97 3hki s LEU 85 Ca 0.55 -0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 53.45 3hki s LEU 85 Cb -0.11 -2.02 -0.27 0.00 0.03 0.00 0.00 46.19 43.82 3hki s LEU 85 CO 0.49 0.01 1.11 -0.08 0.23 0.00 0.00 176.35 178.11 3hki h GLU 86 N 7.90 0.60 -1.80 1.70 4.81 -0.98 -3.44 114.58 123.37 3hki h GLU 86 Ca -0.37 -0.75 0.01 0.00 -0.13 0.00 0.00 59.36 58.11 3hki h GLU 86 Cb 1.18 0.24 -0.21 0.00 0.63 0.00 0.00 28.75 30.59 3hki h GLU 86 CO 0.60 1.33 0.36 0.21 -0.73 0.00 0.00 179.01 180.78 3hki s LYS 87 N -3.06 0.84 -0.12 1.92 2.47 -1.07 -4.98 119.74 115.74 3hki s LYS 87 Ca -0.10 0.20 0.02 0.00 -1.56 0.00 0.00 55.97 54.52 3hki s LYS 87 Cb 0.05 0.40 -0.01 0.00 -1.46 0.00 0.00 37.83 36.81 3hki s LYS 87 CO 0.91 -0.26 -0.18 0.42 0.16 0.00 0.00 175.35 176.40 3hki s ILE 88 N -1.17 2.62 -0.28 5.43 1.01 -1.26 -0.72 121.20 126.83 3hki s ILE 88 Ca -0.07 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.78 3hki s ILE 88 Cb -0.00 -2.07 0.06 0.00 0.01 0.00 0.00 42.46 40.46 3hki s ILE 88 CO 0.06 0.54 -0.05 -0.31 0.00 0.00 0.00 174.94 175.18 3hki s TYR 89 N 0.36 3.29 -0.10 3.97 1.51 -0.03 -4.98 117.35 121.37 3hki s TYR 89 Ca -0.14 -2.16 -0.13 0.00 -1.01 0.00 0.00 57.07 53.63 3hki s TYR 89 Cb -0.17 -2.07 -0.05 0.00 -0.11 0.00 0.00 41.96 39.56 3hki s TYR 89 CO 0.07 -0.85 0.30 0.08 -1.11 0.00 0.00 175.55 174.03 3hki s VAL 90 N 1.16 5.26 0.16 0.71 1.01 -1.26 -0.62 120.40 126.83 3hki s VAL 90 Ca -0.06 0.57 -0.34 0.00 0.00 0.00 0.00 61.98 62.15 3hki s VAL 90 Cb -0.20 -3.61 -0.15 0.00 0.00 0.00 0.00 36.38 32.42 3hki s VAL 90 CO -0.03 0.50 1.36 1.57 0.00 0.00 0.00 175.10 178.50 3hki n HIS 91 N 2.66 1.78 0.25 5.22 -0.00 -0.90 -4.84 115.22 119.39 3hki n HIS 91 Ca -0.14 0.52 0.10 0.00 0.46 0.00 0.00 57.72 58.65 3hki n HIS 91 Cb 0.53 -2.40 0.70 0.00 -0.12 0.00 0.00 29.99 28.70 3hki n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3hki h PRO 92 N 4.49 0.00 -0.65 1.57 0.13 -1.93 -2.33 132.00 133.27 3hki h PRO 92 Ca -0.45 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.43 3hki h PRO 92 Cb 1.30 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.29 3hki h PRO 92 CO 0.78 0.00 0.24 0.54 -0.23 0.00 0.00 178.00 179.33 3hki n ARG 93 N -4.40 2.93 -1.98 0.86 1.74 -1.26 -4.97 116.66 109.58 3hki n ARG 93 Ca -0.02 -3.06 -0.43 0.00 -0.77 0.00 0.00 57.85 53.57 3hki n ARG 93 Cb 0.11 -2.08 -0.03 0.00 -1.02 0.00 0.00 32.46 29.45 3hki n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3hki s TYR 94 N -3.09 1.87 -0.97 -1.55 5.04 -0.88 -4.70 117.35 113.06 3hki s TYR 94 Ca 0.52 0.33 -0.16 0.00 -2.44 0.00 0.00 57.07 55.32 3hki s TYR 94 Cb 0.43 -3.99 0.18 0.00 0.35 0.00 0.00 41.96 38.93 3hki s TYR 94 CO 0.10 -3.62 1.09 1.21 -1.34 0.00 0.00 175.55 172.99 3hki s ASN 95 N 4.49 6.82 0.26 4.32 3.84 -0.38 -4.81 114.94 129.47 3hki s ASN 95 Ca 0.77 -2.55 0.14 0.00 0.21 0.00 0.00 52.86 51.44 3hki s ASN 95 Cb -0.30 -2.33 0.03 0.00 -0.55 0.00 0.00 41.25 38.10 3hki s ASN 95 CO 0.31 -0.80 1.41 4.11 -2.79 0.00 0.00 177.10 179.35 3hki h TRP 96 N 8.03 0.00 -0.94 0.43 5.08 -1.92 0.32 115.95 126.95 3hki h TRP 96 Ca 0.18 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.15 3hki h TRP 96 Cb 0.99 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.10 3hki h TRP 96 CO 1.08 0.56 0.62 0.00 -1.28 0.00 0.00 178.44 179.42 3hki h ARG 97 N 0.00 1.25 0.00 0.12 3.08 -2.00 -3.42 114.38 113.40 3hki h ARG 97 Ca -0.01 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3hki h ARG 97 Cb 1.44 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3hki h ARG 97 CO 0.07 0.83 -0.12 0.39 -1.07 0.00 0.00 179.97 180.07 3hki n GLU 97 N -4.39 0.07 -0.17 0.04 1.02 -1.25 -5.00 120.64 110.96 3hki n GLU 97 Ca 0.11 0.03 0.03 0.00 -0.02 0.00 0.00 57.16 57.31 3hki n GLU 97 Cb 0.02 -0.45 0.04 0.00 -0.02 0.00 0.00 31.44 31.03 3hki n GLU 97 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3hki n ASN 98 N -3.21 1.14 -2.02 1.62 6.94 -1.22 -4.90 115.26 113.61 3hki n ASN 98 Ca -0.02 -2.15 -0.18 0.00 -0.02 0.00 0.00 54.58 52.21 3hki n ASN 98 Cb 0.06 -0.19 -0.04 0.00 -2.36 0.00 0.00 39.78 37.25 3hki n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3hki n LEU 99 N -0.55 -1.50 -4.76 -4.53 4.77 0.11 -4.92 117.00 105.62 3hki n LEU 99 Ca 0.05 0.23 -0.41 0.00 -0.03 0.00 0.00 56.01 55.84 3hki n LEU 99 Cb 0.55 -2.60 -0.02 0.00 -2.33 0.00 0.00 43.42 39.03 3hki n LEU 99 CO 0.00 -0.51 1.10 -0.62 -1.33 0.00 0.00 177.39 176.03 3hki s ASP 100 N -2.25 6.58 -1.13 -1.43 3.68 -1.23 -2.55 116.67 118.34 3hki s ASP 100 Ca 0.00 2.80 -0.06 0.00 2.13 0.00 0.00 52.55 57.41 3hki s ASP 100 Cb 0.00 -2.64 0.01 0.00 -1.45 0.00 0.00 42.92 38.84 3hki s ASP 100 CO 0.00 -0.72 0.98 0.54 0.13 0.00 0.00 175.17 176.10 3hki n ARG 101 N 1.48 -6.57 -2.55 4.34 1.74 -1.26 -1.24 116.66 112.60 3hki n ARG 101 Ca 0.04 0.71 -0.41 0.00 -0.77 0.00 0.00 57.85 57.41 3hki n ARG 101 Cb 0.40 -5.37 -0.02 0.00 -1.02 0.00 0.00 32.46 26.45 3hki n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hki s ASP 102 N -3.44 6.55 -0.14 0.55 2.15 -1.06 -4.34 116.67 116.94 3hki s ASP 102 Ca 0.41 -1.69 -0.24 0.00 0.43 0.00 0.00 52.55 51.45 3hki s ASP 102 Cb -0.18 -2.57 0.06 0.00 -0.30 0.00 0.00 42.92 39.93 3hki s ASP 102 CO 0.62 -1.46 0.61 -0.51 -0.17 0.00 0.00 175.17 174.26 3hki s ILE 103 N 4.94 0.01 -0.10 4.11 2.07 -1.26 -3.80 121.20 127.17 3hki s ILE 103 Ca 0.49 -0.05 -0.13 0.00 -1.41 0.00 0.00 60.65 59.55 3hki s ILE 103 Cb 0.01 -0.89 0.03 0.00 0.13 0.00 0.00 42.46 41.74 3hki s ILE 103 CO -0.05 -0.03 0.34 0.00 -1.91 0.00 0.00 174.94 173.29 3hki s ALA 104 N -0.40 -0.84 -0.11 1.50 0.00 -0.58 -2.13 121.76 119.21 3hki s ALA 104 Ca -0.05 0.80 -0.03 0.00 0.00 0.00 0.00 51.96 52.68 3hki s ALA 104 Cb -0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 3hki s ALA 104 CO 0.05 -0.19 -0.01 -0.51 0.00 0.00 0.00 175.76 175.10 3hki s LEU 105 N -0.23 3.50 -0.18 0.00 1.43 0.21 -1.85 118.68 121.57 3hki s LEU 105 Ca -0.04 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3hki s LEU 105 Cb -0.03 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 3hki s LEU 105 CO 0.02 0.31 -0.09 -0.76 0.23 0.00 0.00 176.35 176.06 3hki s LEU 106 N -0.46 2.80 -0.31 1.79 1.43 0.29 -0.85 118.68 123.38 3hki s LEU 106 Ca 0.08 -0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 3hki s LEU 106 Cb -0.12 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 3hki s LEU 106 CO 0.02 0.07 0.47 -0.75 0.23 0.00 0.00 176.35 176.39 3hki s LYS 107 N 0.95 3.84 0.14 1.70 2.47 0.10 -0.40 119.74 128.55 3hki s LYS 107 Ca -0.01 0.01 -0.30 0.00 -1.56 0.00 0.00 55.97 54.11 3hki s LYS 107 Cb -0.15 -3.73 -0.07 0.00 -1.46 0.00 0.00 37.83 32.43 3hki s LYS 107 CO -0.00 -0.47 1.05 -0.51 0.16 0.00 0.00 175.35 175.58 3hki s LEU 108 N 2.27 4.49 0.56 5.43 1.43 0.12 -0.40 118.68 132.58 3hki s LEU 108 Ca 0.18 1.96 0.27 0.00 -1.03 0.00 0.00 54.13 55.51 3hki s LEU 108 Cb -0.16 -3.60 1.48 0.00 0.03 0.00 0.00 46.19 43.94 3hki s LEU 108 CO 0.11 -0.17 2.00 0.50 0.23 0.00 0.00 176.35 179.02 3hki h LYS 109 N 5.40 0.00 -2.72 1.70 3.64 -1.57 -3.41 116.57 119.61 3hki h LYS 109 Ca -0.44 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.82 3hki h LYS 109 Cb 1.21 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.77 3hki h LYS 109 CO 0.73 0.00 -0.29 0.15 -2.27 0.00 0.00 179.45 177.76 3hki s LYS 110 N -4.84 0.40 0.74 1.90 1.02 -1.26 -4.94 119.74 112.77 3hki s LYS 110 Ca -0.05 0.69 -0.16 0.00 0.02 0.00 0.00 55.97 56.47 3hki s LYS 110 Cb 0.18 0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 3hki s LYS 110 CO 0.65 -0.12 0.82 -0.35 -0.92 0.00 0.00 175.35 175.42 3hki n PRO 111 N 3.77 0.36 -4.51 -1.68 -0.04 -1.26 -4.93 135.00 126.71 3hki n PRO 111 Ca -0.20 0.18 -0.34 0.00 -0.04 0.00 0.00 63.50 63.10 3hki n PRO 111 Cb 0.56 -2.09 -0.11 0.00 -0.04 0.00 0.00 33.50 31.81 3hki n PRO 111 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hki s VAL 112 N -1.91 3.85 0.26 0.52 0.11 -0.42 -5.02 120.40 117.80 3hki s VAL 112 Ca 0.70 -0.40 -0.29 0.00 -2.93 0.00 0.00 61.98 59.05 3hki s VAL 112 Cb -0.33 -2.62 -0.09 0.00 -1.53 0.00 0.00 36.38 31.80 3hki s VAL 112 CO 0.54 0.56 1.12 -2.16 -3.33 0.00 0.00 175.10 171.83 3hki s PRO 113 N -0.34 4.61 0.79 1.54 0.04 -1.26 -4.74 135.00 135.63 3hki s PRO 113 Ca 0.05 1.83 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 3hki s PRO 113 Cb -0.12 -3.20 0.07 0.00 0.04 0.00 0.00 34.50 31.29 3hki s PRO 113 CO 0.02 0.15 1.15 -0.06 0.04 0.00 0.00 177.00 178.30 3hki s PHE 114 N -0.97 2.97 0.00 0.56 0.08 -1.26 -4.87 117.98 114.49 3hki s PHE 114 Ca 0.46 0.72 0.00 0.00 0.12 0.00 0.00 56.93 58.23 3hki s PHE 114 Cb -0.32 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 38.71 3hki s PHE 114 CO 0.41 -1.68 0.00 -1.13 -0.10 0.00 0.00 175.22 172.72 3hki n SER 115 N -3.23 0.00 0.23 1.36 3.41 0.13 -4.87 113.62 110.64 3hki n SER 115 Ca 0.08 -0.26 0.09 0.00 -0.26 0.00 0.00 58.87 58.53 3hki n SER 115 Cb 0.61 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 65.10 3hki n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hki h ASP 116 N 0.00 0.00 -0.00 4.04 3.32 -1.99 -3.24 116.42 118.55 3hki h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hki h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hki h ASP 116 CO 0.00 0.22 -0.29 -1.22 -1.72 0.00 0.00 179.24 176.24 3hki n TYR 117 N -3.64 0.00 -3.91 4.55 4.01 -1.26 -4.72 117.16 112.19 3hki n TYR 117 Ca -0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.46 3hki n TYR 117 Cb 0.35 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.21 3hki n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3hki s ILE 118 N -1.52 1.06 -0.28 -0.72 1.01 -1.22 -4.14 121.20 115.38 3hki s ILE 118 Ca 0.06 -0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.17 3hki s ILE 118 Cb 0.07 -1.10 0.11 0.00 0.01 0.00 0.00 42.46 41.55 3hki s ILE 118 CO 0.29 0.33 0.84 -2.28 0.00 0.00 0.00 174.94 174.12 3hki s HIS 119 N 1.69 -0.78 0.69 3.97 2.46 -0.87 0.17 115.29 122.62 3hki s HIS 119 Ca 0.04 1.62 -0.15 0.00 0.47 0.00 0.00 55.06 57.04 3hki s HIS 119 Cb -0.13 0.46 0.02 0.00 -0.13 0.00 0.00 32.58 32.79 3hki s HIS 119 CO -0.08 -0.38 1.16 -1.25 -2.47 0.00 0.00 174.74 171.71 3hki s PRO 120 N 1.22 2.49 0.32 2.88 0.04 -1.26 -2.37 135.00 138.32 3hki s PRO 120 Ca -0.07 1.58 0.05 0.00 0.04 0.00 0.00 61.00 62.60 3hki s PRO 120 Cb -0.04 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 3hki s PRO 120 CO -0.14 -1.53 0.47 0.54 0.04 0.00 0.00 177.00 176.38 3hki s VAL 121 N -2.14 4.49 0.15 -0.36 0.11 -0.31 -4.87 120.40 117.48 3hki s VAL 121 Ca 0.71 -0.89 -0.17 0.00 -2.93 0.00 0.00 61.98 58.70 3hki s VAL 121 Cb -0.25 -3.59 -0.07 0.00 -1.53 0.00 0.00 36.38 30.94 3hki s VAL 121 CO 0.43 -0.26 0.60 0.00 -3.33 0.00 0.00 175.10 172.54 3hki s LEU 123 N -1.78 4.34 0.60 0.00 1.43 -1.26 -0.93 118.68 121.07 3hki s LEU 123 Ca 0.37 1.04 -0.19 0.00 -1.03 0.00 0.00 54.13 54.32 3hki s LEU 123 Cb -0.16 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 3hki s LEU 123 CO 0.20 0.01 1.26 -2.16 0.23 0.00 0.00 176.35 175.88 3hki s PRO 124 N 0.37 2.87 0.26 1.29 0.04 -1.26 -4.94 135.00 133.64 3hki s PRO 124 Ca 0.31 1.97 0.07 0.00 0.04 0.00 0.00 61.00 63.40 3hki s PRO 124 Cb -0.17 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3hki s PRO 124 CO 0.15 -1.32 0.19 0.16 0.04 0.00 0.00 177.00 176.22 3hki s ASP 125 N -1.41 5.42 0.33 6.66 3.84 -1.26 -4.83 116.67 125.41 3hki s ASP 125 Ca 0.78 -0.31 0.10 0.00 -0.00 0.00 0.00 52.55 53.12 3hki s ASP 125 Cb -0.34 -1.31 0.91 0.00 -1.38 0.00 0.00 42.92 40.80 3hki s ASP 125 CO 0.38 -0.08 1.73 0.50 -0.00 0.00 0.00 175.17 177.70 3hki h LYS 126 N 1.49 0.55 0.39 2.11 3.64 -1.97 -1.75 116.57 121.02 3hki h LYS 126 Ca -0.48 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 3hki h LYS 126 Cb 1.24 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3hki h LYS 126 CO 0.60 0.36 -0.19 0.37 -2.27 0.00 0.00 179.45 178.33 3hki h GLN 127 N 0.56 -0.50 -0.97 1.90 4.15 -2.00 -2.63 115.11 115.63 3hki h GLN 127 Ca 0.65 0.03 0.30 0.00 0.77 0.00 0.00 58.65 60.40 3hki h GLN 127 Cb 1.26 0.11 -0.15 0.00 0.21 0.00 0.00 27.48 28.92 3hki h GLN 127 CO -0.47 -0.22 0.46 1.15 -1.93 0.00 0.00 178.83 177.82 3hki h THR 128 N -0.74 0.29 0.37 2.39 2.02 -1.73 0.98 112.91 116.49 3hki h THR 128 Ca -0.05 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3hki h THR 128 Cb 0.51 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3hki h THR 128 CO 0.09 0.05 -0.19 0.58 0.37 0.00 0.00 175.52 176.42 3hki h VAL 129 N 0.28 0.00 -0.99 3.16 2.07 -1.23 0.28 116.25 119.82 3hki h VAL 129 Ca 0.68 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.47 3hki h VAL 129 Cb 1.50 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 3hki h VAL 129 CO -0.63 0.00 0.69 0.71 0.02 0.00 0.00 177.57 178.36 3hki h THR 129 N -0.52 0.53 0.00 2.57 1.35 -0.75 0.23 112.91 116.34 3hki h THR 129 Ca -0.05 -0.05 -0.22 0.00 -0.55 0.00 0.00 66.41 65.54 3hki h THR 129 Cb 0.40 0.38 -0.04 0.00 -1.73 0.00 0.00 68.15 67.17 3hki h THR 129 CO 0.08 0.03 -1.41 0.77 -0.25 0.00 0.00 175.52 174.73 3hki h SER 129 N 0.14 0.00 0.00 5.36 4.64 -0.70 -3.42 113.55 119.57 3hki h SER 129 Ca 0.50 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.74 3hki h SER 129 Cb 1.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.78 3hki h SER 129 CO -0.09 0.79 -1.38 0.18 -0.87 0.00 0.00 176.83 175.46 3hki n LEU 129 N -3.03 0.00 -4.13 5.97 4.77 0.95 -4.82 117.00 116.71 3hki n LEU 129 Ca -0.10 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.45 3hki n LEU 129 Cb 0.93 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 3hki n LEU 129 CO 0.44 0.10 2.28 -0.11 -1.33 0.00 0.00 177.39 178.77 3hki n LEU 130 N -2.07 5.98 -4.04 2.23 7.94 0.69 -4.81 117.00 122.93 3hki n LEU 130 Ca -0.07 -4.10 -0.13 0.00 -1.11 0.00 0.00 56.01 50.60 3hki n LEU 130 Cb 0.53 -1.68 -0.12 0.00 0.53 0.00 0.00 43.42 42.69 3hki n LEU 130 CO 0.13 0.72 -0.39 0.00 -1.11 0.00 0.00 177.39 176.73 3hki s ARG 131 N 3.34 0.48 0.49 1.96 1.70 -1.26 -4.89 118.95 120.76 3hki s ARG 131 Ca 0.49 -0.68 -0.21 0.00 -0.47 0.00 0.00 55.73 54.86 3hki s ARG 131 Cb 0.09 -0.23 -0.10 0.00 -0.57 0.00 0.00 34.95 34.14 3hki s ARG 131 CO -0.01 0.04 0.73 0.00 -1.08 0.00 0.00 175.30 174.98 3hki n ALA 132 N 1.61 -0.67 0.00 7.88 0.00 -1.26 -1.01 120.51 127.06 3hki n ALA 132 Ca -0.22 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3hki n ALA 132 Cb 0.55 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3hki n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hki n GLY 133 N 1.54 2.43 3.68 0.00 0.00 -0.46 -4.91 105.19 107.48 3hki n GLY 133 Ca 0.11 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3hki n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hki s TYR 134 N -0.57 2.71 0.14 1.61 1.51 -0.18 -4.59 117.35 117.98 3hki s TYR 134 Ca 0.00 0.70 -0.23 0.00 -1.01 0.00 0.00 57.07 56.53 3hki s TYR 134 Cb 0.00 -3.72 -0.08 0.00 -0.11 0.00 0.00 41.96 38.05 3hki s TYR 134 CO 0.00 -2.75 0.70 0.15 -1.11 0.00 0.00 175.55 172.54 3hki s LYS 135 N 2.62 4.41 0.44 -0.62 1.02 -1.26 -1.13 119.74 125.22 3hki s LYS 135 Ca 0.66 0.98 0.04 0.00 0.02 0.00 0.00 55.97 57.66 3hki s LYS 135 Cb -0.32 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 3hki s LYS 135 CO 0.27 0.58 0.03 0.20 -0.92 0.00 0.00 175.35 175.52 3hki s GLY 136 N -1.18 2.69 -0.05 -3.33 0.00 0.30 -4.89 107.32 100.86 3hki s GLY 136 Ca 0.34 -1.27 0.06 0.00 0.00 0.00 0.00 44.72 43.84 3hki s GLY 136 CO 0.23 -2.05 -0.23 -1.60 0.00 0.00 0.00 173.10 169.45 3hki s ARG 137 N -3.80 2.34 -0.04 2.90 3.52 0.22 -0.45 118.95 123.64 3hki s ARG 137 Ca 0.21 -0.83 0.07 0.00 -0.13 0.00 0.00 55.73 55.05 3hki s ARG 137 Cb 0.05 -2.00 -0.02 0.00 -1.56 0.00 0.00 34.95 31.43 3hki s ARG 137 CO 0.11 0.35 -0.25 0.08 -0.81 0.00 0.00 175.30 174.78 3hki s VAL 138 N -0.12 1.99 0.09 7.11 1.01 -0.22 -0.73 120.40 129.54 3hki s VAL 138 Ca -0.03 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 60.95 3hki s VAL 138 Cb -0.13 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3hki s VAL 138 CO 0.03 0.56 -0.17 0.42 0.00 0.00 0.00 175.10 175.95 3hki s THR 139 N -0.39 1.39 0.00 3.92 -4.23 -1.24 -1.41 115.64 113.68 3hki s THR 139 Ca 0.04 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 3hki s THR 139 Cb -0.11 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.38 3hki s THR 139 CO 0.01 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 3hki n GLY 140 N 1.05 0.92 1.29 3.99 0.00 -0.58 -4.56 105.19 107.29 3hki n GLY 140 Ca -0.19 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.09 3hki n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hki n TRP 141 N -0.23 1.37 -1.27 1.61 8.01 -1.26 -1.30 117.44 124.36 3hki n TRP 141 Ca 0.00 -0.79 -0.30 0.00 -1.31 0.00 0.00 57.50 55.10 3hki n TRP 141 Cb 0.00 -0.37 0.21 0.00 -2.01 0.00 0.00 31.31 29.14 3hki n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3hki s GLY 142 N -1.42 1.61 0.68 6.99 0.00 -1.26 -4.63 107.32 109.29 3hki s GLY 142 Ca 0.47 -0.84 -0.17 0.00 0.00 0.00 0.00 44.72 44.18 3hki s GLY 142 CO 0.13 -0.06 0.97 0.70 0.00 0.00 0.00 173.10 174.84 3hki n ASN 143 N -4.41 0.61 0.10 1.64 3.02 -1.26 -2.23 115.26 112.73 3hki n ASN 143 Ca 0.11 0.71 0.09 0.00 -0.03 0.00 0.00 54.58 55.47 3hki n ASN 143 Cb 0.59 -1.41 -0.00 0.00 -0.61 0.00 0.00 39.78 38.35 3hki n ASN 143 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3hki h LEU 144 N -0.01 0.00 -7.35 3.41 3.38 0.22 0.30 115.31 115.26 3hki h LEU 144 Ca -0.48 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 3hki h LEU 144 Cb 1.34 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.97 3hki h LEU 144 CO 0.48 0.11 0.00 0.00 0.09 0.00 0.00 178.44 179.13 3hki s ARG 145 N -3.27 1.16 0.00 1.13 1.70 -1.26 -4.33 118.95 114.08 3hki s ARG 145 Ca -0.00 -0.68 0.00 0.00 -0.47 0.00 0.00 55.73 54.58 3hki s ARG 145 Cb 0.09 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.97 3hki s ARG 145 CO 0.79 -0.47 1.62 -1.91 -1.08 0.00 0.00 175.30 174.24 3hki n GLU 146 N -0.27 0.99 0.00 3.89 2.13 -1.26 -4.75 120.64 121.36 3hki n GLU 146 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 3hki n GLU 146 Cb 0.64 -1.01 0.00 0.00 0.27 0.00 0.00 31.44 31.34 3hki n GLU 146 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 3hki n THR 147 N 1.15 0.00 -3.98 6.31 5.66 -1.26 -4.94 114.28 117.22 3hki n THR 147 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3hki n THR 147 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 3hki n THR 147 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 3hki n TRP 148 N -1.92 0.00 -0.19 1.09 4.27 -1.26 -4.90 117.44 114.53 3hki n TRP 148 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 3hki n TRP 148 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 3hki n TRP 148 CO 0.00 0.00 0.00 2.41 -2.29 0.00 0.00 177.69 177.81 3hki n THR 149 N 0.00 0.00 0.15 -1.67 -1.04 -1.26 -5.19 114.28 105.28 3hki n THR 149 Ca 0.00 -0.40 0.04 0.00 -2.04 0.00 0.00 64.05 61.65 3hki n THR 149 Cb 0.00 1.19 0.22 0.00 -1.82 0.00 0.00 70.33 69.92 3hki n THR 149 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3hki n ASN 149 N -0.02 0.21 0.00 8.00 5.15 -1.26 -5.24 115.26 122.09 3hki n ASN 149 Ca 0.00 0.43 0.00 0.00 -0.60 0.00 0.00 54.58 54.41 3hki n ASN 149 Cb 0.05 -0.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 3hki n ASN 149 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3hki n GLU 149 N -1.90 0.00 0.10 1.20 2.13 -1.26 -0.75 120.64 120.16 3hki n GLU 149 Ca -0.01 0.04 -0.00 0.00 0.66 0.00 0.00 57.16 57.85 3hki n GLU 149 Cb 0.46 -1.81 -0.03 0.00 0.27 0.00 0.00 31.44 30.34 3hki n GLU 149 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 3hki h ILE 150 N 0.00 0.99 -3.33 6.31 3.07 -1.92 -3.45 117.51 119.19 3hki h ILE 150 Ca 0.00 -2.46 -0.61 0.00 1.55 0.00 0.00 64.86 63.34 3hki h ILE 150 Cb 0.62 2.46 -0.13 0.00 -0.27 0.00 0.00 36.82 39.50 3hki h ILE 150 CO 0.00 0.57 -0.50 -1.10 -1.05 0.00 0.00 178.15 176.06 3hki s GLN 151 N -2.89 4.14 0.80 0.16 -0.21 0.07 0.20 119.66 121.93 3hki s GLN 151 Ca 0.02 -0.24 -0.11 0.00 0.02 0.00 0.00 55.36 55.04 3hki s GLN 151 Cb 0.08 -3.42 0.08 0.00 1.00 0.00 0.00 33.01 30.75 3hki s GLN 151 CO 0.77 0.25 1.13 -1.25 -2.12 0.00 0.00 175.29 174.07 3hki s PRO 152 N 0.49 1.89 0.10 2.91 0.04 -1.26 -4.96 135.00 134.22 3hki s PRO 152 Ca 0.07 1.40 0.22 0.00 0.04 0.00 0.00 61.00 62.73 3hki s PRO 152 Cb -0.12 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.46 3hki s PRO 152 CO -0.01 -1.95 0.83 -1.13 0.04 0.00 0.00 177.00 174.78 3hki n SER 153 N -3.53 0.51 -4.07 6.66 3.41 -1.26 -4.70 113.62 110.64 3hki n SER 153 Ca 0.11 0.16 -0.08 0.00 -0.26 0.00 0.00 58.87 58.79 3hki n SER 153 Cb 0.52 1.07 -0.09 0.00 -0.26 0.00 0.00 64.21 65.45 3hki n SER 153 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3hki s VAL 154 N -3.41 0.15 0.27 -3.33 -7.23 -1.26 -1.62 120.40 103.96 3hki s VAL 154 Ca -0.03 -1.72 -0.28 0.00 -1.81 0.00 0.00 61.98 58.14 3hki s VAL 154 Cb 0.12 -1.72 -0.15 0.00 0.56 0.00 0.00 36.38 35.19 3hki s VAL 154 CO 0.84 -0.69 0.86 -0.11 -0.31 0.00 0.00 175.10 175.69 3hki n LEU 155 N -0.02 0.89 -4.63 1.32 7.94 0.72 -4.78 117.00 118.44 3hki n LEU 155 Ca -0.10 1.16 -0.29 0.00 -1.11 0.00 0.00 56.01 55.67 3hki n LEU 155 Cb 0.62 -1.19 -0.09 0.00 0.53 0.00 0.00 43.42 43.30 3hki n LEU 155 CO 0.28 -1.88 -0.37 -1.10 -1.11 0.00 0.00 177.39 173.21 3hki s GLN 156 N -1.40 2.31 0.06 1.96 -1.52 -0.42 -0.91 119.66 119.73 3hki s GLN 156 Ca 0.60 -1.03 0.05 0.00 -1.95 0.00 0.00 55.36 53.04 3hki s GLN 156 Cb -0.77 -2.36 -0.03 0.00 -0.22 0.00 0.00 33.01 29.63 3hki s GLN 156 CO 0.59 0.49 -0.15 0.54 -0.25 0.00 0.00 175.29 176.51 3hki s VAL 157 N -1.44 1.18 -0.08 1.09 0.11 -0.06 -1.53 120.40 119.67 3hki s VAL 157 Ca 0.25 -1.20 -0.17 0.00 -2.93 0.00 0.00 61.98 57.93 3hki s VAL 157 Cb -0.10 -1.10 0.04 0.00 -1.53 0.00 0.00 36.38 33.68 3hki s VAL 157 CO 0.16 -0.10 0.41 0.54 -3.33 0.00 0.00 175.10 172.79 3hki s VAL 158 N -1.07 0.03 -0.13 2.04 0.11 -0.50 -0.81 120.40 120.07 3hki s VAL 158 Ca 0.01 -0.22 -0.01 0.00 -2.93 0.00 0.00 61.98 58.82 3hki s VAL 158 Cb -0.09 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 3hki s VAL 158 CO 0.02 -0.12 -0.09 0.20 -3.33 0.00 0.00 175.10 171.78 3hki s ASN 159 N -0.72 4.38 -0.01 3.54 0.01 -1.26 -1.06 114.94 119.82 3hki s ASN 159 Ca -0.08 -0.21 0.02 0.00 -0.71 0.00 0.00 52.86 51.88 3hki s ASN 159 Cb -0.04 -1.56 0.00 0.00 0.41 0.00 0.00 41.25 40.06 3hki s ASN 159 CO 0.04 0.21 -0.07 -0.76 -1.51 0.00 0.00 177.10 175.01 3hki s LEU 160 N 0.12 1.86 0.28 0.60 1.43 0.41 -4.92 118.68 118.45 3hki s LEU 160 Ca -0.04 -0.13 -0.28 0.00 -1.03 0.00 0.00 54.13 52.65 3hki s LEU 160 Cb -0.14 -0.39 -0.09 0.00 0.03 0.00 0.00 46.19 45.60 3hki s LEU 160 CO 0.04 0.06 0.96 -2.16 0.23 0.00 0.00 176.35 175.47 3hki s PRO 161 N 0.08 4.73 0.37 1.29 0.04 -1.26 -0.54 135.00 139.71 3hki s PRO 161 Ca -0.01 1.47 -0.26 0.00 0.04 0.00 0.00 61.00 62.24 3hki s PRO 161 Cb -0.06 -3.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.30 3hki s PRO 161 CO -0.00 0.39 1.14 0.42 0.04 0.00 0.00 177.00 178.99 3hki s ILE 162 N -1.33 3.32 0.00 0.56 1.01 -0.28 -0.77 121.20 123.70 3hki s ILE 162 Ca 0.45 1.15 0.02 0.00 0.00 0.00 0.00 60.65 62.27 3hki s ILE 162 Cb -0.24 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 3hki s ILE 162 CO 0.30 0.14 -0.00 -0.69 0.00 0.00 0.00 174.94 174.69 3hki s VAL 163 N -1.39 4.12 0.37 2.92 1.01 -0.36 -1.35 120.40 125.71 3hki s VAL 163 Ca 0.54 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.61 3hki s VAL 163 Cb -0.30 -2.84 -0.11 0.00 0.00 0.00 0.00 36.38 33.14 3hki s VAL 163 CO 0.38 0.37 1.42 -1.61 0.00 0.00 0.00 175.10 175.66 3hki s GLU 164 N -1.57 4.17 0.23 2.72 2.02 -1.26 -4.53 118.70 120.48 3hki s GLU 164 Ca 0.19 2.45 -0.06 0.00 0.02 0.00 0.00 54.97 57.57 3hki s GLU 164 Cb -0.11 -2.98 0.40 0.00 0.10 0.00 0.00 34.13 31.53 3hki s GLU 164 CO 0.10 -0.43 1.72 -0.09 0.02 0.00 0.00 175.26 176.58 3hki h ARG 165 N 3.09 0.37 -0.44 1.61 2.43 -1.98 -0.51 114.38 118.95 3hki h ARG 165 Ca -0.50 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.61 3hki h ARG 165 Cb 1.24 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 3hki h ARG 165 CO 0.64 0.24 0.12 -1.35 -1.51 0.00 0.00 179.97 178.12 3hki h PRO 166 N 0.38 0.65 -0.46 0.20 0.11 -1.99 0.16 132.00 131.05 3hki h PRO 166 Ca 0.38 -0.11 -0.12 0.00 0.11 0.00 0.00 66.00 66.26 3hki h PRO 166 Cb 0.57 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 3hki h PRO 166 CO -0.40 0.58 -0.18 0.28 -0.21 0.00 0.00 178.00 178.07 3hki h VAL 167 N 0.64 1.27 0.28 3.15 2.07 -1.52 -1.61 116.25 120.52 3hki h VAL 167 Ca 0.15 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 3hki h VAL 167 Cb 0.22 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3hki h VAL 167 CO -0.01 0.45 -0.14 0.00 0.02 0.00 0.00 177.57 177.90 3hki h LYS 169 N -0.44 1.07 0.00 0.00 1.57 -0.68 -1.70 116.57 116.39 3hki h LYS 169 Ca -0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3hki h LYS 169 Cb 0.34 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3hki h LYS 169 CO 0.06 0.71 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 3hki n ALA 170 N -2.38 2.21 1.09 3.86 0.00 -0.61 -3.52 120.51 121.15 3hki n ALA 170 Ca 0.15 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.68 3hki n ALA 170 Cb 0.19 -1.45 0.57 0.00 0.00 0.00 0.00 19.45 18.77 3hki n ALA 170 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hki n SER 171 N -1.90 0.13 -3.96 0.00 3.41 -0.64 -4.89 113.62 105.77 3hki n SER 171 Ca 0.06 0.20 -0.08 0.00 -0.26 0.00 0.00 58.87 58.79 3hki n SER 171 Cb 0.36 -0.31 -0.09 0.00 -0.26 0.00 0.00 64.21 63.92 3hki n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hki s THR 172 N -2.90 0.18 -1.42 6.66 -1.32 -1.23 -4.89 115.64 110.72 3hki s THR 172 Ca 0.17 -1.45 0.25 0.00 -1.21 0.00 0.00 61.69 59.45 3hki s THR 172 Cb 0.19 -1.39 0.11 0.00 -1.51 0.00 0.00 72.50 69.90 3hki s THR 172 CO 0.55 -0.80 1.42 -1.14 -2.21 0.00 0.00 174.62 172.44 3hki n ARG 173 N 0.07 0.47 -2.38 7.08 3.00 -1.26 -4.88 116.66 118.76 3hki n ARG 173 Ca -0.15 -0.29 -0.33 0.00 -0.00 0.00 0.00 57.85 57.08 3hki n ARG 173 Cb 0.62 -1.49 -0.02 0.00 0.00 0.00 0.00 32.46 31.56 3hki n ARG 173 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3hki s ILE 174 N -2.74 3.97 -0.46 5.15 1.09 -1.26 -4.98 121.20 121.98 3hki s ILE 174 Ca 0.17 1.08 -0.27 0.00 -1.10 0.00 0.00 60.65 60.54 3hki s ILE 174 Cb 0.18 -3.48 0.03 0.00 -1.06 0.00 0.00 42.46 38.12 3hki s ILE 174 CO 0.62 -0.41 1.01 -0.60 -0.10 0.00 0.00 174.94 175.46 3hki s ARG 175 N -3.65 3.64 -0.58 2.79 3.52 -1.26 -5.00 118.95 118.42 3hki s ARG 175 Ca 0.64 0.36 -0.24 0.00 -0.13 0.00 0.00 55.73 56.36 3hki s ARG 175 Cb -0.14 -3.91 0.04 0.00 -1.56 0.00 0.00 34.95 29.38 3hki s ARG 175 CO 0.27 -1.25 0.98 0.42 -0.81 0.00 0.00 175.30 174.90 3hki s ILE 176 N 3.99 4.32 0.90 4.11 -1.09 -1.26 -4.84 121.20 127.33 3hki s ILE 176 Ca 0.41 0.22 -0.14 0.00 -2.23 0.00 0.00 60.65 58.91 3hki s ILE 176 Cb -0.09 -4.59 0.15 0.00 -1.58 0.00 0.00 42.46 36.34 3hki s ILE 176 CO 0.28 -1.22 1.26 0.42 -1.23 0.00 0.00 174.94 174.44 3hki s THR 177 N 4.12 2.00 -0.45 2.92 -4.23 -1.26 -4.95 115.64 113.78 3hki s THR 177 Ca 0.30 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 61.06 3hki s THR 177 Cb -0.13 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 70.98 3hki s THR 177 CO 0.18 0.00 1.74 0.44 -0.54 0.00 0.00 174.62 176.44 3hki h ASP 178 N -1.40 0.00 -0.12 3.99 3.32 -2.03 -2.33 116.42 117.85 3hki h ASP 178 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3hki h ASP 178 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3hki h ASP 178 CO 0.50 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.61 3hki n ASN 179 N -2.31 0.68 -4.12 6.45 3.02 -1.26 -4.80 115.26 112.91 3hki n ASN 179 Ca 0.02 -2.00 -0.12 0.00 -0.03 0.00 0.00 54.58 52.44 3hki n ASN 179 Cb 0.25 -0.09 -0.11 0.00 -0.61 0.00 0.00 39.78 39.22 3hki n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3hki s MET 180 N -1.82 0.70 0.09 3.52 -1.94 -0.88 -0.04 119.30 118.93 3hki s MET 180 Ca 0.08 -1.04 -0.06 0.00 -1.71 0.00 0.00 55.69 52.96 3hki s MET 180 Cb 0.04 -0.31 -0.01 0.00 2.01 0.00 0.00 34.83 36.56 3hki s MET 180 CO 0.05 0.03 0.14 -0.59 -0.01 0.00 0.00 175.02 174.65 3hki s PHE 181 N -2.38 0.30 0.23 -0.03 -0.12 -0.84 -4.82 117.98 110.32 3hki s PHE 181 Ca 0.01 -0.75 0.06 0.00 -0.05 0.00 0.00 56.93 56.20 3hki s PHE 181 Cb -0.03 -0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 42.15 3hki s PHE 181 CO -0.02 -0.52 -0.09 0.00 -0.05 0.00 0.00 175.22 174.55 3hki s ALA 183 N -3.09 -0.30 0.00 0.00 0.00 -0.70 -1.22 121.76 116.44 3hki s ALA 183 Ca 0.25 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.57 3hki s ALA 183 Cb 0.02 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.95 3hki s ALA 183 CO 0.08 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.58 3hki n GLY 184 N -0.23 3.62 3.86 0.00 0.00 0.05 -1.82 105.19 110.67 3hki n GLY 184 Ca -0.09 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 3hki n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hki s PHE 184 N -2.00 3.54 0.34 1.61 0.40 -1.26 -4.39 117.98 116.22 3hki s PHE 184 Ca 0.00 1.32 -0.29 0.00 -0.60 0.00 0.00 56.93 57.37 3hki s PHE 184 Cb 0.00 -2.71 -0.11 0.00 0.51 0.00 0.00 43.02 40.71 3hki s PHE 184 CO 0.00 -0.49 1.48 0.21 0.70 0.00 0.00 175.22 177.12 3hki s LYS 185 N -4.58 4.16 0.09 0.44 2.47 -1.26 -4.80 119.74 116.26 3hki s LYS 185 Ca 0.56 2.50 -0.06 0.00 -1.56 0.00 0.00 55.97 57.40 3hki s LYS 185 Cb -0.10 -3.01 0.10 0.00 -1.46 0.00 0.00 37.83 33.36 3hki s LYS 185 CO 0.42 -0.49 0.60 1.33 0.16 0.00 0.00 175.35 177.37 3hki n VAL 186 N 1.03 -0.20 -0.61 4.02 0.24 -1.26 0.83 118.33 122.38 3hki n VAL 186 Ca 0.03 0.91 0.10 0.00 -2.04 0.00 0.00 64.34 63.33 3hki n VAL 186 Cb 0.39 -1.20 0.36 0.00 -1.47 0.00 0.00 33.84 31.92 3hki n VAL 186 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3hki n ASN 186 N -4.58 4.71 -4.54 -1.34 2.04 -1.26 -4.53 115.26 105.76 3hki n ASN 186 Ca 0.04 -2.42 -0.30 0.00 -0.44 0.00 0.00 54.58 51.46 3hki n ASN 186 Cb 0.16 -0.57 0.20 0.00 -2.53 0.00 0.00 39.78 37.04 3hki n ASN 186 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 3hki n ASP 186 N 1.14 -0.91 0.03 0.53 8.00 0.24 -4.95 116.55 120.64 3hki n ASP 186 Ca 0.26 0.15 -0.20 0.00 0.71 0.00 0.00 54.79 55.71 3hki n ASP 186 Cb 0.87 -1.33 -0.14 0.00 -0.02 0.00 0.00 41.12 40.50 3hki n ASP 186 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3hki h THR 186 N -2.18 0.84 -3.19 -3.53 1.35 -1.94 -3.45 112.91 100.82 3hki h THR 186 Ca -0.51 -2.52 -0.54 0.00 -0.55 0.00 0.00 66.41 62.29 3hki h THR 186 Cb 1.30 2.62 -0.01 0.00 -1.73 0.00 0.00 68.15 70.34 3hki h THR 186 CO 0.43 0.83 0.58 -0.54 -0.25 0.00 0.00 175.52 176.57 3hki s LYS 186 N -2.58 4.42 0.00 4.72 1.02 -1.26 -4.99 119.74 121.07 3hki s LYS 186 Ca -0.16 1.70 0.00 0.00 0.02 0.00 0.00 55.97 57.53 3hki s LYS 186 Cb 0.06 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 3hki s LYS 186 CO 0.82 -0.29 0.00 0.54 -0.92 0.00 0.00 175.35 175.50 3hki n ARG 187 N 4.30 0.00 -0.50 1.68 5.12 -1.26 -4.81 116.66 121.19 3hki n ARG 187 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 3hki n ARG 187 Cb 0.47 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.77 3hki n ARG 187 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hki n GLY 188 N 4.58 -1.25 3.61 -0.13 0.00 -1.23 -4.32 105.19 106.44 3hki n GLY 188 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 46.02 45.19 3hki n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hki s ASP 189 N 0.00 -0.10 0.20 1.61 -1.08 -0.99 -4.50 116.67 111.81 3hki s ASP 189 Ca 0.00 -0.04 -0.10 0.00 -0.52 0.00 0.00 52.55 51.89 3hki s ASP 189 Cb 0.00 0.13 -0.07 0.00 -1.46 0.00 0.00 42.92 41.52 3hki s ASP 189 CO 0.00 -0.22 0.53 0.00 0.52 0.00 0.00 175.17 176.00 3hki s ALA 190 N -2.37 3.59 0.49 3.66 0.00 -1.26 -0.56 121.76 125.31 3hki s ALA 190 Ca 0.11 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.83 3hki s ALA 190 Cb 0.01 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 3hki s ALA 190 CO -0.04 0.51 0.01 0.00 0.00 0.00 0.00 175.76 176.24 3hki n GLU 192 N -1.19 -0.10 0.00 0.00 2.13 -1.26 -0.34 120.64 119.87 3hki n GLU 192 Ca -0.16 0.73 0.08 0.00 0.66 0.00 0.00 57.16 58.47 3hki n GLU 192 Cb 0.67 -1.08 0.49 0.00 0.27 0.00 0.00 31.44 31.79 3hki n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hki n GLY 193 N -1.06 -0.62 0.11 8.31 0.00 -1.26 -2.06 105.19 108.62 3hki n GLY 193 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3hki n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hki h ASP 194 N 0.00 0.00 -1.86 1.61 3.32 -1.02 -3.22 116.42 115.25 3hki h ASP 194 Ca 0.00 -0.04 -0.64 0.00 0.02 0.00 0.00 57.03 56.37 3hki h ASP 194 Cb 0.04 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.70 3hki h ASP 194 CO 0.00 0.02 -0.09 -0.24 -1.72 0.00 0.00 179.24 177.21 3hki n SER 195 N -2.60 0.36 0.00 6.45 2.88 -0.87 -0.98 113.62 118.86 3hki n SER 195 Ca 0.01 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 3hki n SER 195 Cb 0.53 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 3hki n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hki n GLY 196 N 1.58 3.00 3.49 0.46 0.00 0.55 -0.14 105.19 114.13 3hki n GLY 196 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3hki n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hki s GLY 197 N -1.57 1.52 0.05 -0.02 0.00 -0.15 -3.70 107.32 103.45 3hki s GLY 197 Ca 0.00 -0.77 -0.06 0.00 0.00 0.00 0.00 44.72 43.89 3hki s GLY 197 CO 0.00 0.12 0.31 2.56 0.00 0.00 0.00 173.10 176.09 3hki s PRO 198 N -5.15 3.61 -0.30 2.90 0.04 -1.26 -0.59 135.00 134.24 3hki s PRO 198 Ca 0.69 -0.07 -0.05 0.00 0.04 0.00 0.00 61.00 61.62 3hki s PRO 198 Cb -0.13 -3.02 0.03 0.00 0.04 0.00 0.00 34.50 31.42 3hki s PRO 198 CO 0.58 0.59 0.05 0.12 0.04 0.00 0.00 177.00 178.39 3hki s PHE 199 N -1.40 3.18 0.19 0.56 2.19 -0.47 -3.59 117.98 118.64 3hki s PHE 199 Ca 0.32 -1.34 0.09 0.00 0.33 0.00 0.00 56.93 56.34 3hki s PHE 199 Cb -0.13 -2.21 -0.04 0.00 -1.31 0.00 0.00 43.02 39.33 3hki s PHE 199 CO 0.19 -0.68 -0.19 0.14 1.83 0.00 0.00 175.22 176.51 3hki s VAL 200 N 1.41 2.01 0.03 3.12 -7.23 0.09 -0.67 120.40 119.17 3hki s VAL 200 Ca -0.00 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 3hki s VAL 200 Cb -0.18 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 3hki s VAL 200 CO 0.01 -0.32 -0.11 -0.04 -0.31 0.00 0.00 175.10 174.33 3hki s MET 201 N -2.96 0.74 -0.50 4.82 -1.94 0.86 -0.61 119.30 119.71 3hki s MET 201 Ca 0.19 -0.67 -0.17 0.00 -1.71 0.00 0.00 55.69 53.33 3hki s MET 201 Cb -0.06 -0.68 0.07 0.00 2.01 0.00 0.00 34.83 36.18 3hki s MET 201 CO 0.08 0.16 0.53 0.21 -0.01 0.00 0.00 175.02 176.00 3hki s LYS 202 N -1.12 3.05 -0.12 2.03 2.20 -1.26 -0.28 119.74 124.24 3hki s LYS 202 Ca -0.02 -1.16 -0.31 0.00 -0.36 0.00 0.00 55.97 54.13 3hki s LYS 202 Cb -0.08 -4.14 -0.09 0.00 -1.51 0.00 0.00 37.83 32.02 3hki s LYS 202 CO 0.01 -1.18 2.06 0.45 -0.36 0.00 0.00 175.35 176.33 3hki n SER 203 N 5.74 3.46 0.28 1.43 2.88 0.11 -4.84 113.62 122.68 3hki n SER 203 Ca -0.10 0.64 0.18 0.00 -1.33 0.00 0.00 58.87 58.26 3hki n SER 203 Cb 0.44 -1.47 0.76 0.00 -0.75 0.00 0.00 64.21 63.20 3hki n SER 203 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hki h PRO 204 N 11.93 0.00 0.14 -1.46 0.13 -1.96 0.49 132.00 141.27 3hki h PRO 204 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 3hki h PRO 204 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3hki h PRO 204 CO 0.96 0.00 -0.07 0.74 -0.23 0.00 0.00 178.00 179.40 3hki h PHE 204 N 0.00 -0.18 0.00 1.56 0.04 -1.96 -3.37 116.94 113.03 3hki h PHE 204 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hki h PHE 204 Cb 0.41 0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.62 3hki h PHE 204 CO 0.00 0.07 -0.03 0.27 -0.60 0.00 0.00 178.31 178.03 3hki n ASN 204 N -5.07 1.89 -0.33 2.17 2.04 -1.12 -5.01 115.26 109.83 3hki n ASN 204 Ca -0.09 -2.34 -0.04 0.00 -0.44 0.00 0.00 54.58 51.67 3hki n ASN 204 Cb 0.18 -0.17 -0.02 0.00 -2.53 0.00 0.00 39.78 37.24 3hki n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 3hki n ASN 205 N -0.79 -5.56 -4.92 0.53 5.15 0.17 -4.96 115.26 104.88 3hki n ASN 205 Ca 0.06 0.10 -0.27 0.00 -0.60 0.00 0.00 54.58 53.87 3hki n ASN 205 Cb 0.44 -3.60 -0.03 0.00 -0.53 0.00 0.00 39.78 36.07 3hki n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3hki s ARG 206 N -2.26 3.57 -0.15 1.20 0.52 -1.23 -4.82 118.95 115.79 3hki s ARG 206 Ca 0.00 -0.13 -0.11 0.00 -0.52 0.00 0.00 55.73 54.97 3hki s ARG 206 Cb 0.00 -2.67 -0.05 0.00 0.52 0.00 0.00 34.95 32.75 3hki s ARG 206 CO 0.00 0.21 0.22 -1.58 0.02 0.00 0.00 175.30 174.17 3hki s TRP 207 N -2.13 3.50 -0.01 -0.53 0.52 -1.26 0.08 118.94 119.12 3hki s TRP 207 Ca 0.42 0.54 0.08 0.00 0.02 0.00 0.00 56.10 57.15 3hki s TRP 207 Cb -0.10 -2.19 -0.02 0.00 -1.15 0.00 0.00 33.47 30.01 3hki s TRP 207 CO 0.32 0.41 -0.24 0.71 0.02 0.00 0.00 176.95 178.17 3hki s TYR 208 N -0.07 2.12 -0.55 -1.98 2.02 0.62 -2.10 117.35 117.40 3hki s TYR 208 Ca 0.14 -0.40 -0.21 0.00 -0.37 0.00 0.00 57.07 56.23 3hki s TYR 208 Cb -0.12 -1.34 0.06 0.00 -0.40 0.00 0.00 41.96 40.15 3hki s TYR 208 CO 0.03 -0.01 0.80 -1.14 -1.57 0.00 0.00 175.55 173.66 3hki s GLN 209 N -0.69 3.19 0.07 -0.62 0.74 -0.11 -0.10 119.66 122.14 3hki s GLN 209 Ca 0.09 -0.70 0.04 0.00 0.05 0.00 0.00 55.36 54.84 3hki s GLN 209 Cb -0.09 -4.12 -0.24 0.00 1.10 0.00 0.00 33.01 29.66 3hki s GLN 209 CO -0.00 -1.44 1.12 0.52 -0.55 0.00 0.00 175.29 174.94 3hki h MET 210 N 9.22 0.09 -4.46 1.67 2.86 -1.22 -3.38 114.93 119.71 3hki h MET 210 Ca -0.27 -0.15 -0.31 0.00 -2.06 0.00 0.00 59.70 56.91 3hki h MET 210 Cb 1.08 0.06 -0.12 0.00 0.06 0.00 0.00 31.60 32.68 3hki h MET 210 CO 1.06 1.00 -0.40 0.20 1.06 0.00 0.00 176.91 179.83 3hki s GLY 211 N -4.78 1.65 -0.06 8.32 0.00 -0.58 -1.04 107.32 110.83 3hki s GLY 211 Ca -0.02 -1.68 0.04 0.00 0.00 0.00 0.00 44.72 43.06 3hki s GLY 211 CO 0.84 -1.22 -0.18 -0.42 0.00 0.00 0.00 173.10 172.12 3hki s ILE 212 N -3.58 1.51 -0.14 0.90 1.01 -1.10 -1.37 121.20 118.43 3hki s ILE 212 Ca 0.35 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 3hki s ILE 212 Cb 0.02 -1.31 -0.06 0.00 0.01 0.00 0.00 42.46 41.12 3hki s ILE 212 CO 0.19 0.44 2.06 -0.69 0.00 0.00 0.00 174.94 176.94 3hki s VAL 213 N 0.18 3.09 -0.21 2.92 1.01 0.24 -1.51 120.40 126.13 3hki s VAL 213 Ca -0.08 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 3hki s VAL 213 Cb -0.13 -3.10 -0.10 0.00 0.00 0.00 0.00 36.38 33.04 3hki s VAL 213 CO 0.04 -0.05 -0.25 -0.24 0.00 0.00 0.00 175.10 174.59 3hki n SER 214 N 9.93 1.72 -3.37 3.32 2.88 -0.81 -0.33 113.62 126.96 3hki n SER 214 Ca 0.25 0.18 -0.18 0.00 -1.33 0.00 0.00 58.87 57.79 3hki n SER 214 Cb 0.44 -0.56 -0.08 0.00 -0.75 0.00 0.00 64.21 63.26 3hki n SER 214 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hki s ALA 215 N -2.39 -0.30 0.67 -1.46 0.00 -0.88 -4.89 121.76 112.51 3hki s ALA 215 Ca -0.29 -1.07 -0.14 0.00 0.00 0.00 0.00 51.96 50.46 3hki s ALA 215 Cb 0.10 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.22 3hki s ALA 215 CO 0.40 -2.14 1.09 0.20 0.00 0.00 0.00 175.76 175.31 3hki s GLY 216 N 1.39 1.99 -0.13 0.00 0.00 -1.26 0.14 107.32 109.44 3hki s GLY 216 Ca 0.17 0.40 -0.01 0.00 0.00 0.00 0.00 44.72 45.28 3hki s GLY 216 CO -0.03 0.74 0.32 0.00 0.00 0.00 0.00 173.10 174.13 3hki n ALA 217 N -2.65 1.09 -0.73 3.20 0.00 -1.24 -4.83 120.51 115.35 3hki n ALA 217 Ca 0.09 -0.72 -0.33 0.00 0.00 0.00 0.00 53.44 52.48 3hki n ALA 217 Cb 0.53 -0.61 0.15 0.00 0.00 0.00 0.00 19.45 19.52 3hki n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hki n GLY 219 N 1.95 -2.54 1.80 0.00 0.00 -1.18 -5.04 105.19 100.18 3hki n GLY 219 Ca -0.31 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 3hki n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hki n GLY 223 N -0.21 0.00 3.77 0.00 0.00 -1.26 -4.28 105.19 103.21 3hki n GLY 223 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3hki n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hki s LYS 224 N 0.00 3.17 0.07 1.61 -0.14 -1.26 -4.82 119.74 118.38 3hki s LYS 224 Ca 0.00 -0.32 0.05 0.00 -1.36 0.00 0.00 55.97 54.35 3hki s LYS 224 Cb 0.00 -2.95 -0.03 0.00 -1.68 0.00 0.00 37.83 33.17 3hki s LYS 224 CO 0.00 0.72 -0.15 0.71 -0.76 0.00 0.00 175.35 175.87 3hki s TYR 225 N -0.99 1.27 0.35 3.18 2.02 -1.26 -4.88 117.35 117.03 3hki s TYR 225 Ca 0.16 -0.46 -0.25 0.00 -0.37 0.00 0.00 57.07 56.15 3hki s TYR 225 Cb -0.12 -0.71 -0.10 0.00 -0.40 0.00 0.00 41.96 40.63 3hki s TYR 225 CO 0.05 0.07 0.96 0.20 -1.57 0.00 0.00 175.55 175.26 3hki s GLY 226 N -1.77 2.73 0.07 0.71 0.00 -0.76 -4.39 107.32 103.92 3hki s GLY 226 Ca -0.01 0.53 0.02 0.00 0.00 0.00 0.00 44.72 45.26 3hki s GLY 226 CO 0.02 0.95 0.10 -1.36 0.00 0.00 0.00 173.10 172.82 3hki s PHE 227 N -1.70 3.26 0.02 1.90 0.40 0.12 -1.72 117.98 120.25 3hki s PHE 227 Ca 0.53 0.12 0.04 0.00 -0.60 0.00 0.00 56.93 57.01 3hki s PHE 227 Cb -0.18 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 3hki s PHE 227 CO 0.23 0.54 -0.11 0.71 0.70 0.00 0.00 175.22 177.29 3hki s TYR 228 N -1.40 0.95 0.08 0.36 1.51 0.66 -1.93 117.35 117.56 3hki s TYR 228 Ca 0.30 -0.31 -0.31 0.00 -1.01 0.00 0.00 57.07 55.75 3hki s TYR 228 Cb -0.12 -0.57 -0.07 0.00 -0.11 0.00 0.00 41.96 41.09 3hki s TYR 228 CO 0.23 -0.00 1.31 0.99 -1.11 0.00 0.00 175.55 176.96 3hki s THR 229 N -0.72 3.67 -0.62 -0.71 2.01 -0.57 -1.98 115.64 116.71 3hki s THR 229 Ca -0.00 1.18 -0.27 0.00 0.31 0.00 0.00 61.69 62.91 3hki s THR 229 Cb -0.07 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 3hki s THR 229 CO 0.01 0.08 1.74 -2.28 -0.69 0.00 0.00 174.62 173.48 3hki s HIS 230 N 1.25 1.79 0.12 4.92 2.46 0.94 -2.71 115.29 124.07 3hki s HIS 230 Ca 0.62 0.63 -0.18 0.00 0.47 0.00 0.00 55.06 56.60 3hki s HIS 230 Cb -0.33 -4.19 -0.04 0.00 -0.13 0.00 0.00 32.58 27.88 3hki s HIS 230 CO 0.29 -2.28 1.71 0.28 -2.47 0.00 0.00 174.74 172.27 3hki h VAL 231 N 6.72 1.14 -0.83 0.89 2.07 -1.39 -2.78 116.25 122.07 3hki h VAL 231 Ca -0.27 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 66.95 3hki h VAL 231 Cb 1.14 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 3hki h VAL 231 CO 1.22 0.14 0.49 0.15 0.02 0.00 0.00 177.57 179.59 3hki h PHE 232 N 0.34 0.90 0.00 1.57 3.57 -1.86 -0.13 116.94 121.33 3hki h PHE 232 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3hki h PHE 232 Cb 0.09 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.55 3hki h PHE 232 CO -0.03 0.40 0.00 0.00 -2.23 0.00 0.00 178.31 176.46 3hki h ARG 233 N 0.85 0.00 -0.20 1.11 2.47 -1.87 -1.48 114.38 115.26 3hki h ARG 233 Ca 0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.11 3hki h ARG 233 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 3hki h ARG 233 CO -0.22 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.59 3hki n LEU 234 N -2.87 2.47 0.31 3.04 4.77 -0.17 -4.63 117.00 119.91 3hki n LEU 234 Ca -0.02 -1.62 0.19 0.00 -0.03 0.00 0.00 56.01 54.53 3hki n LEU 234 Cb 0.11 -0.13 0.97 0.00 -2.33 0.00 0.00 43.42 42.04 3hki n LEU 234 CO 0.19 0.58 1.15 0.50 -1.33 0.00 0.00 177.39 178.48 3hki h LYS 235 N 1.91 0.00 0.11 3.23 3.64 -0.12 0.82 116.57 126.16 3hki h LYS 235 Ca 0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 3hki h LYS 235 Cb 0.60 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3hki h LYS 235 CO 0.00 0.00 -1.57 -0.09 -2.27 0.00 0.00 179.45 175.52 3hki h ARG 236 N 0.00 0.24 -0.01 1.90 2.43 -1.82 -2.70 114.38 114.42 3hki h ARG 236 Ca 0.02 -0.40 -0.11 0.00 -0.81 0.00 0.00 59.98 58.68 3hki h ARG 236 Cb 0.40 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3hki h ARG 236 CO -0.00 1.09 -0.51 2.35 -1.51 0.00 0.00 179.97 181.39 3hki h TRP 237 N 0.06 0.02 0.53 2.20 7.01 -1.20 -0.32 115.95 124.25 3hki h TRP 237 Ca -0.26 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.71 3hki h TRP 237 Cb 2.02 -0.00 0.01 0.00 -2.10 0.00 0.00 29.16 29.08 3hki h TRP 237 CO 0.06 0.52 -0.26 0.82 -2.79 0.00 0.00 178.44 176.80 3hki h ILE 238 N 0.01 0.00 -0.85 2.65 2.04 -1.36 -1.62 117.51 118.38 3hki h ILE 238 Ca -0.00 -0.22 0.22 0.00 1.00 0.00 0.00 64.86 65.85 3hki h ILE 238 Cb 0.90 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.84 3hki h ILE 238 CO 0.07 0.00 0.12 1.56 0.00 0.00 0.00 178.15 179.90 3hki h GLN 239 N -0.94 0.14 0.31 2.37 4.20 -1.42 0.69 115.11 120.46 3hki h GLN 239 Ca -0.07 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 3hki h GLN 239 Cb 0.55 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 3hki h GLN 239 CO 0.12 0.09 -0.52 -0.22 -0.67 0.00 0.00 178.83 177.63 3hki h LYS 240 N 0.14 -0.85 -0.28 1.46 3.11 -1.00 -1.82 116.57 117.32 3hki h LYS 240 Ca 0.51 0.06 0.05 0.00 -2.81 0.00 0.00 60.65 58.46 3hki h LYS 240 Cb 0.99 0.19 -0.05 0.00 -1.00 0.00 0.00 32.23 32.36 3hki h LYS 240 CO -0.70 -0.57 -0.04 0.28 -2.81 0.00 0.00 179.45 175.61 3hki h VAL 241 N -0.88 0.75 0.02 2.00 2.07 0.06 -2.48 116.25 117.79 3hki h VAL 241 Ca -0.03 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 3hki h VAL 241 Cb 0.82 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3hki h VAL 241 CO -0.17 0.01 -0.01 0.40 0.02 0.00 0.00 177.57 177.81 3hki h ILE 242 N 0.04 0.00 0.00 4.57 2.04 -0.83 -1.40 117.51 121.93 3hki h ILE 242 Ca 0.14 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3hki h ILE 242 Cb 0.20 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3hki h ILE 242 CO -0.27 0.00 0.10 -0.90 0.00 0.00 0.00 178.15 177.09 3hki n ASP 243 N -2.09 0.19 0.02 1.72 3.85 -0.70 0.27 116.55 119.80 3hki n ASP 243 Ca -0.00 0.52 -0.05 0.00 -0.71 0.00 0.00 54.79 54.54 3hki n ASP 243 Cb 0.01 -0.53 -0.11 0.00 -1.35 0.00 0.00 41.12 39.14 3hki n ASP 243 CO 0.00 0.00 0.00 -0.61 -1.01 0.00 0.00 177.20 175.58 3hki h GLN 244 N 0.00 0.00 0.00 0.11 4.15 -1.35 -3.41 115.11 114.61 3hki h GLN 244 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3hki h GLN 244 Cb 0.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.89 3hki h GLN 244 CO 0.00 0.52 0.00 1.19 -1.93 0.00 0.00 178.83 178.61 3hki n PHE 245 N -3.06 0.00 0.00 3.99 3.72 0.15 -5.08 117.46 117.18 3hki n PHE 245 Ca -0.11 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3hki n PHE 245 Cb 0.96 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 3hki n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12