#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ths s VAL 17 N 0.00 4.29 -0.93 1.39 1.01 -0.48 -3.86 120.40 121.82 1ths s VAL 17 Ca 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 1ths s VAL 17 Cb 0.00 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.35 1ths s VAL 17 CO 0.00 0.30 0.80 -0.62 0.00 0.00 0.00 175.10 175.58 1ths n GLU 18 N 4.92 -5.41 0.00 2.72 -0.58 -1.26 -2.18 120.64 118.85 1ths n GLU 18 Ca -0.16 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 1ths n GLU 18 Cb 0.51 -4.82 0.00 0.00 -0.57 0.00 0.00 31.44 26.56 1ths n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ths n GLY 19 N -1.53 2.99 3.21 0.62 0.00 -1.26 -4.68 105.19 104.53 1ths n GLY 19 Ca 0.00 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 1ths n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ths s SER 20 N -0.56 0.22 0.28 1.61 0.01 -0.35 -4.90 113.70 110.02 1ths s SER 20 Ca 0.00 -0.98 -0.29 0.00 1.31 0.00 0.00 55.95 55.98 1ths s SER 20 Cb 0.00 0.33 -0.10 0.00 0.21 0.00 0.00 66.02 66.47 1ths s SER 20 CO 0.00 -0.76 1.12 -1.81 0.41 0.00 0.00 173.24 172.20 1ths s ASP 21 N -2.97 7.21 0.61 2.44 1.01 -1.26 0.99 116.67 124.70 1ths s ASP 21 Ca 0.16 2.32 -0.17 0.00 0.71 0.00 0.00 52.55 55.58 1ths s ASP 21 Cb 0.06 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 1ths s ASP 21 CO -0.03 -0.19 1.11 0.00 0.21 0.00 0.00 175.17 176.27 1ths s ALA 22 N -1.14 2.58 0.87 5.23 0.00 0.42 -4.77 121.76 124.95 1ths s ALA 22 Ca 0.45 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 1ths s ALA 22 Cb -0.33 -3.32 0.11 0.00 0.00 0.00 0.00 23.12 19.59 1ths s ALA 22 CO 0.42 -1.04 1.15 -1.21 0.00 0.00 0.00 175.76 175.09 1ths s GLU 23 N -3.83 1.49 0.04 0.00 2.02 -1.26 -4.92 118.70 112.25 1ths s GLU 23 Ca 0.68 0.22 -0.30 0.00 0.02 0.00 0.00 54.97 55.59 1ths s GLU 23 Cb -0.21 -1.89 -0.04 0.00 0.10 0.00 0.00 34.13 32.09 1ths s GLU 23 CO 0.36 -1.94 1.03 0.42 0.02 0.00 0.00 175.26 175.14 1ths s ILE 24 N -3.40 4.57 -1.14 -1.63 -1.09 -1.26 -3.36 121.20 113.89 1ths s ILE 24 Ca 0.63 1.92 0.00 0.00 -2.23 0.00 0.00 60.65 60.97 1ths s ILE 24 Cb -0.13 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.52 1ths s ILE 24 CO 0.52 0.19 0.00 0.61 -1.23 0.00 0.00 174.94 175.02 1ths n GLY 25 N 2.78 1.00 0.21 6.18 0.00 -1.26 -4.93 105.19 109.17 1ths n GLY 25 Ca 0.06 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 1ths n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ths h MET 26 N 0.00 0.67 -2.28 1.61 4.05 -1.93 -3.38 114.93 113.66 1ths h MET 26 Ca -0.23 -0.52 -0.58 0.00 -0.28 0.00 0.00 59.70 58.08 1ths h MET 26 Cb 0.81 0.10 -0.39 0.00 -0.80 0.00 0.00 31.60 31.32 1ths h MET 26 CO 0.33 1.14 -0.98 0.45 0.23 0.00 0.00 176.91 178.08 1ths n SER 27 N -3.92 0.19 0.00 1.39 2.88 -1.26 -4.99 113.62 107.90 1ths n SER 27 Ca -0.06 -2.59 0.06 0.00 -1.33 0.00 0.00 58.87 54.95 1ths n SER 27 Cb 0.71 -0.60 0.26 0.00 -0.75 0.00 0.00 64.21 63.83 1ths n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ths n PRO 28 N 2.19 0.02 0.00 -1.46 -0.04 -1.26 -1.56 135.00 132.89 1ths n PRO 28 Ca 0.26 0.28 0.11 0.00 -0.04 0.00 0.00 63.50 64.12 1ths n PRO 28 Cb 0.48 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.52 1ths n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ths n TRP 29 N -1.47 0.00 -1.94 0.54 2.14 -0.97 -0.98 117.44 114.76 1ths n TRP 29 Ca 0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.18 1ths n TRP 29 Cb 0.13 -0.07 -0.03 0.00 -0.81 0.00 0.00 31.31 30.53 1ths n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ths s GLN 30 N -2.77 4.22 0.00 -2.67 2.00 -0.60 -0.68 119.66 119.16 1ths s GLN 30 Ca 0.14 2.35 0.05 0.00 -2.00 0.00 0.00 55.36 55.91 1ths s GLN 30 Cb 0.17 -3.15 -0.02 0.00 0.80 0.00 0.00 33.01 30.82 1ths s GLN 30 CO 0.69 -0.58 -0.17 0.08 -0.50 0.00 0.00 175.29 174.82 1ths s VAL 31 N 0.96 1.31 -0.18 1.34 1.01 -1.02 -4.19 120.40 119.64 1ths s VAL 31 Ca 0.68 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 1ths s VAL 31 Cb -0.43 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1ths s VAL 31 CO 0.33 0.29 0.10 -0.32 0.00 0.00 0.00 175.10 175.50 1ths s MET 32 N -0.60 3.98 -0.42 2.72 1.75 -0.12 -2.44 119.30 124.17 1ths s MET 32 Ca 0.06 -0.26 -0.19 0.00 -1.25 0.00 0.00 55.69 54.06 1ths s MET 32 Cb -0.07 -3.30 0.02 0.00 2.84 0.00 0.00 34.83 34.32 1ths s MET 32 CO -0.00 0.37 0.52 -0.51 -0.65 0.00 0.00 175.02 174.75 1ths s LEU 33 N 0.13 4.69 -0.11 4.11 1.43 0.74 -2.27 118.68 127.41 1ths s LEU 33 Ca 0.07 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1ths s LEU 33 Cb -0.12 -2.53 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 1ths s LEU 33 CO -0.00 -0.65 -0.18 0.12 0.23 0.00 0.00 176.35 175.87 1ths s PHE 34 N 2.41 2.68 0.08 0.29 5.36 0.29 -0.08 117.98 129.02 1ths s PHE 34 Ca 0.17 -0.75 -0.30 0.00 -0.96 0.00 0.00 56.93 55.09 1ths s PHE 34 Cb -0.16 -1.76 -0.05 0.00 -0.34 0.00 0.00 43.02 40.71 1ths s PHE 34 CO 0.16 -0.25 0.95 0.50 -1.46 0.00 0.00 175.22 175.12 1ths s ARG 35 N 0.21 4.66 0.16 10.12 3.52 0.93 -1.60 118.95 136.96 1ths s ARG 35 Ca -0.11 1.42 -0.09 0.00 -0.13 0.00 0.00 55.73 56.83 1ths s ARG 35 Cb -0.16 -3.39 0.02 0.00 -1.56 0.00 0.00 34.95 29.85 1ths s ARG 35 CO 0.06 0.16 1.49 0.87 -0.81 0.00 0.00 175.30 177.08 1ths h LYS 36 N 5.84 0.84 -0.82 5.12 1.57 -1.84 0.53 116.57 127.80 1ths h LYS 36 Ca -0.43 -0.45 0.18 0.00 -1.87 0.00 0.00 60.65 58.08 1ths h LYS 36 Cb 1.21 0.02 -0.23 0.00 0.08 0.00 0.00 32.23 33.32 1ths h LYS 36 CO 0.72 1.09 0.14 0.45 -0.57 0.00 0.00 179.45 181.28 1ths s SER 36 N -6.86 -0.64 0.21 0.86 0.15 -1.26 -3.21 113.70 102.95 1ths s SER 36 Ca -0.10 0.67 -0.31 0.00 0.70 0.00 0.00 55.95 56.91 1ths s SER 36 Cb 0.11 1.65 -0.11 0.00 -1.71 0.00 0.00 66.02 65.96 1ths s SER 36 CO 0.87 -0.12 1.62 -2.16 1.20 0.00 0.00 173.24 174.65 1ths s PRO 37 N 2.65 4.17 -0.20 5.44 0.04 -1.26 -5.04 135.00 140.80 1ths s PRO 37 Ca 0.00 2.49 -0.36 0.00 0.04 0.00 0.00 61.00 63.17 1ths s PRO 37 Cb -0.08 -3.10 -0.12 0.00 0.04 0.00 0.00 34.50 31.24 1ths s PRO 37 CO -0.16 -0.65 1.93 1.04 0.04 0.00 0.00 177.00 179.20 1ths n GLN 38 N 3.49 1.67 -3.51 4.56 1.13 -1.20 -4.63 117.38 118.89 1ths n GLN 38 Ca 0.13 0.58 -0.10 0.00 -1.94 0.00 0.00 57.00 55.67 1ths n GLN 38 Cb 0.37 -2.49 -0.03 0.00 0.11 0.00 0.00 30.24 28.20 1ths n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1ths s GLU 39 N 4.49 0.85 -0.29 -1.09 -1.05 0.18 -4.91 118.70 116.88 1ths s GLU 39 Ca 0.98 -0.16 -0.29 0.00 -0.15 0.00 0.00 54.97 55.35 1ths s GLU 39 Cb -0.81 0.39 0.01 0.00 -0.44 0.00 0.00 34.13 33.28 1ths s GLU 39 CO 0.54 -0.34 1.21 -1.17 0.95 0.00 0.00 175.26 176.45 1ths s LEU 40 N -2.06 3.93 -0.13 1.83 2.96 -1.26 0.31 118.68 124.26 1ths s LEU 40 Ca 0.01 1.19 -0.08 0.00 -0.22 0.00 0.00 54.13 55.04 1ths s LEU 40 Cb -0.01 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 1ths s LEU 40 CO -0.05 -0.97 -0.14 0.25 -1.32 0.00 0.00 176.35 174.12 1ths h LEU 41 N 10.46 0.00 0.00 -0.68 5.85 -0.85 -3.47 115.31 126.62 1ths h LEU 41 Ca -0.24 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.60 1ths h LEU 41 Cb 1.08 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1ths h LEU 41 CO 1.03 0.72 0.53 0.00 -0.34 0.00 0.00 178.44 180.37 1ths s GLY 43 N -3.35 1.78 0.05 0.00 0.00 -0.25 -0.18 107.32 105.38 1ths s GLY 43 Ca 0.21 -1.42 -0.27 0.00 0.00 0.00 0.00 44.72 43.24 1ths s GLY 43 CO 0.06 -1.01 1.20 0.00 0.00 0.00 0.00 173.10 173.35 1ths s ALA 44 N -2.99 -2.13 -0.03 3.20 0.00 -1.02 -3.87 121.76 114.92 1ths s ALA 44 Ca 0.61 0.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.56 1ths s ALA 44 Cb -0.08 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.79 1ths s ALA 44 CO 0.42 -1.10 0.14 -1.54 0.00 0.00 0.00 175.76 173.68 1ths s SER 45 N -3.50 -0.07 -0.19 0.00 1.04 0.51 -2.42 113.70 109.08 1ths s SER 45 Ca 0.24 0.06 -0.19 0.00 0.48 0.00 0.00 55.95 56.54 1ths s SER 45 Cb -0.00 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 1ths s SER 45 CO 0.01 -0.21 0.53 -0.22 0.98 0.00 0.00 173.24 174.33 1ths s LEU 46 N -0.63 4.16 -0.00 2.42 2.96 0.14 -0.57 118.68 127.17 1ths s LEU 46 Ca -0.07 0.72 0.07 0.00 -0.22 0.00 0.00 54.13 54.63 1ths s LEU 46 Cb -0.04 -2.74 -0.08 0.00 0.50 0.00 0.00 46.19 43.83 1ths s LEU 46 CO 0.01 -0.17 0.31 2.30 -1.32 0.00 0.00 176.35 177.48 1ths n ILE 47 N 4.45 0.00 -3.31 6.68 -5.35 -0.61 -2.17 119.36 119.05 1ths n ILE 47 Ca -0.04 -0.32 -0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1ths n ILE 47 Cb 0.50 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 1ths n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1ths n SER 48 N -1.18 -0.05 -0.02 7.28 3.41 -1.23 -4.73 113.62 117.11 1ths n SER 48 Ca 0.01 -1.03 0.15 0.00 -0.26 0.00 0.00 58.87 57.75 1ths n SER 48 Cb 0.12 0.07 0.80 0.00 -0.26 0.00 0.00 64.21 64.94 1ths n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ths n ASP 49 N -0.72 0.06 0.00 4.04 5.75 -1.26 -3.91 116.55 120.51 1ths n ASP 49 Ca -0.00 -0.46 0.00 0.00 -0.01 0.00 0.00 54.79 54.32 1ths n ASP 49 Cb 0.01 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1ths n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ths n ARG 50 N -1.15 -0.22 -5.06 0.11 5.12 -1.26 -0.72 116.66 113.47 1ths n ARG 50 Ca 0.17 -0.22 -0.29 0.00 -1.93 0.00 0.00 57.85 55.59 1ths n ARG 50 Cb 0.21 -0.66 -0.16 0.00 -1.16 0.00 0.00 32.46 30.68 1ths n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1ths s TRP 51 N -0.03 2.07 0.04 -1.55 0.52 -1.25 -1.19 118.94 117.55 1ths s TRP 51 Ca 0.00 -0.57 0.07 0.00 0.02 0.00 0.00 56.10 55.62 1ths s TRP 51 Cb 0.00 -1.37 -0.02 0.00 -1.15 0.00 0.00 33.47 30.93 1ths s TRP 51 CO 0.00 -0.17 -0.20 0.08 0.02 0.00 0.00 176.95 176.68 1ths s VAL 52 N -0.14 1.65 -0.09 4.03 1.01 0.24 -1.57 120.40 125.53 1ths s VAL 52 Ca -0.02 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 60.81 1ths s VAL 52 Cb -0.12 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1ths s VAL 52 CO 0.02 0.22 -0.18 -0.22 0.00 0.00 0.00 175.10 174.94 1ths s LEU 53 N -1.13 2.48 0.00 3.92 2.96 0.26 -0.55 118.68 126.62 1ths s LEU 53 Ca 0.07 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1ths s LEU 53 Cb -0.09 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.10 1ths s LEU 53 CO 0.02 0.22 0.36 1.07 -1.32 0.00 0.00 176.35 176.69 1ths n THR 54 N 3.16 0.00 -3.33 3.68 5.66 -0.85 -0.36 114.28 122.25 1ths n THR 54 Ca -0.18 -1.14 -0.38 0.00 -3.05 0.00 0.00 64.05 59.29 1ths n THR 54 Cb 0.52 0.74 -0.06 0.00 -1.55 0.00 0.00 70.33 69.98 1ths n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ths s ALA 55 N -2.31 3.59 0.40 1.79 0.00 -1.26 -1.69 121.76 122.28 1ths s ALA 55 Ca 0.19 -0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.16 1ths s ALA 55 Cb -0.01 -2.59 0.83 0.00 0.00 0.00 0.00 23.12 21.35 1ths s ALA 55 CO 0.13 0.33 2.00 0.00 0.00 0.00 0.00 175.76 178.23 1ths h ALA 56 N 5.05 1.63 0.00 0.00 0.00 -1.69 -1.87 119.26 122.37 1ths h ALA 56 Ca -0.48 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1ths h ALA 56 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ths h ALA 56 CO 0.65 0.30 0.00 -2.39 0.00 0.00 0.00 179.25 177.81 1ths n HIS 57 N -4.40 0.63 0.20 0.00 1.44 -1.26 -1.64 115.22 110.18 1ths n HIS 57 Ca 0.01 0.29 0.07 0.00 -2.01 0.00 0.00 57.72 56.09 1ths n HIS 57 Cb 0.14 -0.96 0.34 0.00 0.12 0.00 0.00 29.99 29.62 1ths n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ths n LEU 59 N -3.40 0.44 -3.65 0.00 4.77 -0.79 -4.86 117.00 109.51 1ths n LEU 59 Ca 0.00 -0.02 -0.24 0.00 -0.03 0.00 0.00 56.01 55.73 1ths n LEU 59 Cb 0.51 0.22 -0.17 0.00 -2.33 0.00 0.00 43.42 41.65 1ths n LEU 59 CO 0.36 0.44 -0.34 -0.22 -1.33 0.00 0.00 177.39 176.30 1ths s LEU 60 N -5.26 0.31 0.06 2.23 2.96 -0.65 -0.19 118.68 118.12 1ths s LEU 60 Ca -0.10 -0.32 -0.12 0.00 -0.22 0.00 0.00 54.13 53.37 1ths s LEU 60 Cb 0.05 -0.23 0.01 0.00 0.50 0.00 0.00 46.19 46.52 1ths s LEU 60 CO 0.60 -0.30 0.26 -0.47 -1.32 0.00 0.00 176.35 175.11 1ths s TYR 60 N 2.13 -0.02 0.00 5.38 5.04 0.14 -4.28 117.35 125.75 1ths s TYR 60 Ca 0.03 -0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.46 1ths s TYR 60 Cb -0.14 0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.21 1ths s TYR 60 CO -0.06 -0.50 0.00 -2.30 -1.34 0.00 0.00 175.55 171.34 1ths n PRO 60 N 0.43 0.00 -0.66 4.97 -0.02 -1.26 -1.47 135.00 137.00 1ths n PRO 60 Ca -0.18 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.34 1ths n PRO 60 Cb 0.60 0.00 0.28 0.00 -0.02 0.00 0.00 33.50 34.36 1ths n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1ths n TRP 60 N 0.00 1.39 -1.28 6.00 8.01 -1.26 -4.94 117.44 125.37 1ths n TRP 60 Ca 0.00 -1.01 -0.12 0.00 -1.31 0.00 0.00 57.50 55.06 1ths n TRP 60 Cb 0.00 -0.43 -0.05 0.00 -2.01 0.00 0.00 31.31 28.82 1ths n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1ths n ASP 60 N -0.38 -4.23 -4.68 -0.99 8.00 -1.05 -4.91 116.55 108.31 1ths n ASP 60 Ca 0.27 0.29 -0.42 0.00 0.71 0.00 0.00 54.79 55.65 1ths n ASP 60 Cb 1.04 -3.52 -0.04 0.00 -0.02 0.00 0.00 41.12 38.59 1ths n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1ths s LYS 60 N -2.87 4.35 -0.43 -1.24 2.20 -0.54 -4.96 119.74 116.25 1ths s LYS 60 Ca 0.00 1.13 0.03 0.00 -0.36 0.00 0.00 55.97 56.77 1ths s LYS 60 Cb 0.00 -3.55 0.19 0.00 -1.51 0.00 0.00 37.83 32.96 1ths s LYS 60 CO 0.00 -0.28 0.80 1.21 -0.36 0.00 0.00 175.35 176.71 1ths s ASN 60 N 1.10 -1.16 0.20 1.43 2.47 -1.23 0.29 114.94 118.04 1ths s ASN 60 Ca 0.42 -1.04 -0.20 0.00 0.42 0.00 0.00 52.86 52.46 1ths s ASN 60 Cb -0.17 1.50 -0.08 0.00 -1.45 0.00 0.00 41.25 41.05 1ths s ASN 60 CO 0.15 -0.08 0.71 -0.36 -3.72 0.00 0.00 177.10 173.80 1ths s PHE 60 N 1.32 3.68 0.55 0.43 0.08 0.73 -5.01 117.98 119.77 1ths s PHE 60 Ca 0.23 1.39 0.06 0.00 0.12 0.00 0.00 56.93 58.72 1ths s PHE 60 Cb 0.01 -2.61 0.06 0.00 -0.57 0.00 0.00 43.02 39.91 1ths s PHE 60 CO -0.08 0.38 0.48 0.25 -0.10 0.00 0.00 175.22 176.15 1ths n THR 60 N 0.88 0.00 -0.16 0.64 -2.24 -1.26 -4.88 114.28 107.26 1ths n THR 60 Ca -0.03 -2.14 -0.03 0.00 -2.27 0.00 0.00 64.05 59.59 1ths n THR 60 Cb 0.51 -0.11 0.07 0.00 -2.10 0.00 0.00 70.33 68.69 1ths n THR 60 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ths h GLU 61 N 0.00 0.27 -0.11 -0.78 3.07 -1.95 -2.82 114.58 112.27 1ths h GLU 61 Ca -0.33 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 1ths h GLU 61 Cb 1.27 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 1ths h GLU 61 CO 0.52 0.18 0.07 -0.91 -1.40 0.00 0.00 179.01 177.47 1ths h ASN 62 N 0.28 0.13 0.83 1.42 2.35 -1.96 -1.78 115.58 116.84 1ths h ASN 62 Ca 0.25 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1ths h ASN 62 Cb 0.31 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1ths h ASN 62 CO -0.29 0.09 0.00 0.47 -1.65 0.00 0.00 177.43 176.05 1ths n ASP 63 N -4.52 0.21 -4.39 5.81 8.00 -1.06 -4.86 116.55 115.74 1ths n ASP 63 Ca -0.01 0.54 -0.25 0.00 0.71 0.00 0.00 54.79 55.78 1ths n ASP 63 Cb 0.08 -0.59 -0.11 0.00 -0.02 0.00 0.00 41.12 40.48 1ths n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ths s LEU 64 N -3.43 2.44 -0.02 0.64 1.43 -0.67 -3.06 118.68 116.01 1ths s LEU 64 Ca 0.09 -0.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.34 1ths s LEU 64 Cb 0.13 -1.02 0.01 0.00 0.03 0.00 0.00 46.19 45.33 1ths s LEU 64 CO 0.42 0.05 -0.06 -0.22 0.23 0.00 0.00 176.35 176.77 1ths s LEU 65 N -2.69 1.73 -0.23 1.79 2.96 -0.63 -4.47 118.68 117.15 1ths s LEU 65 Ca 0.19 -0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 53.89 1ths s LEU 65 Cb -0.07 -0.42 -0.03 0.00 0.50 0.00 0.00 46.19 46.17 1ths s LEU 65 CO 0.09 0.03 0.07 -0.69 -1.32 0.00 0.00 176.35 174.53 1ths s VAL 66 N 0.28 4.53 -0.22 1.68 1.01 -1.04 0.11 120.40 126.75 1ths s VAL 66 Ca -0.04 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1ths s VAL 66 Cb -0.08 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.24 1ths s VAL 66 CO 0.00 0.37 -0.15 -0.13 0.00 0.00 0.00 175.10 175.20 1ths s ARG 67 N 1.22 2.71 -0.05 2.72 0.52 -0.96 0.14 118.95 125.25 1ths s ARG 67 Ca 0.05 -1.03 0.05 0.00 -0.52 0.00 0.00 55.73 54.28 1ths s ARG 67 Cb -0.14 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 1ths s ARG 67 CO 0.04 -0.36 -0.22 0.42 0.02 0.00 0.00 175.30 175.19 1ths s ILE 68 N 1.23 2.35 0.00 1.52 1.01 0.72 -0.94 121.20 127.10 1ths s ILE 68 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.68 1ths s ILE 68 Cb -0.16 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.44 1ths s ILE 68 CO -0.09 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.04 1ths n GLY 69 N 2.75 0.97 3.80 6.18 0.00 -1.26 -0.25 105.19 117.39 1ths n GLY 69 Ca -0.17 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1ths n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ths s LYS 70 N -0.94 3.72 0.00 1.61 1.02 -1.26 -4.39 119.74 119.50 1ths s LYS 70 Ca 0.00 1.31 0.00 0.00 0.02 0.00 0.00 55.97 57.30 1ths s LYS 70 Cb 0.00 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 1ths s LYS 70 CO 0.00 -0.49 0.00 1.58 -0.92 0.00 0.00 175.35 175.52 1ths n HIS 71 N -1.20 0.00 -3.18 3.18 -0.00 -1.26 -4.98 115.22 107.79 1ths n HIS 71 Ca 0.09 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.44 1ths n HIS 71 Cb 0.53 0.17 -0.06 0.00 -0.00 0.00 0.00 29.99 30.63 1ths n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ths s SER 72 N -4.73 7.09 0.00 0.26 0.15 -1.26 -1.87 113.70 113.34 1ths s SER 72 Ca 0.00 1.36 -0.25 0.00 0.70 0.00 0.00 55.95 57.75 1ths s SER 72 Cb 0.00 -2.39 -0.19 0.00 -1.71 0.00 0.00 66.02 61.73 1ths s SER 72 CO 0.00 0.16 1.36 -0.09 1.20 0.00 0.00 173.24 175.88 1ths h ARG 73 N 4.01 -0.02 0.00 5.44 2.43 -1.60 -3.39 114.38 121.25 1ths h ARG 73 Ca -0.48 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.37 1ths h ARG 73 Cb 1.20 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.70 1ths h ARG 73 CO 0.65 0.35 -1.94 2.41 -1.51 0.00 0.00 179.97 179.93 1ths n THR 74 N -4.92 1.51 -3.40 0.20 -1.04 -1.26 -5.00 114.28 100.36 1ths n THR 74 Ca -0.08 -0.81 -0.36 0.00 -2.04 0.00 0.00 64.05 60.75 1ths n THR 74 Cb 0.20 -0.82 -0.06 0.00 -1.82 0.00 0.00 70.33 67.84 1ths n THR 74 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1ths s ARG 75 N -2.58 3.97 -0.25 -2.82 0.52 -1.26 -5.03 118.95 111.50 1ths s ARG 75 Ca -0.06 0.47 -0.29 0.00 -0.52 0.00 0.00 55.73 55.32 1ths s ARG 75 Cb 0.07 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 1ths s ARG 75 CO 0.83 0.55 1.78 -0.47 0.02 0.00 0.00 175.30 178.00 1ths s TYR 76 N -1.34 1.83 -1.21 -0.53 5.04 -1.26 -4.85 117.35 115.03 1ths s TYR 76 Ca 0.34 0.51 -0.13 0.00 -2.44 0.00 0.00 57.07 55.35 1ths s TYR 76 Cb -0.16 -4.06 0.18 0.00 0.35 0.00 0.00 41.96 38.28 1ths s TYR 76 CO 0.18 -3.24 1.46 0.39 -1.34 0.00 0.00 175.55 173.00 1ths n GLU 77 N 8.09 3.42 -0.05 4.97 1.02 -1.26 -4.94 120.64 131.89 1ths n GLU 77 Ca 0.22 -3.87 -0.01 0.00 -0.02 0.00 0.00 57.16 53.48 1ths n GLU 77 Cb 0.45 -2.99 -0.00 0.00 -0.02 0.00 0.00 31.44 28.88 1ths n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ths n ARG 77 N 5.20 -0.04 -0.60 3.49 0.63 -1.26 -0.89 116.66 123.19 1ths n ARG 77 Ca 0.36 0.18 0.06 0.00 -0.92 0.00 0.00 57.85 57.53 1ths n ARG 77 Cb 0.42 -0.27 0.12 0.00 0.45 0.00 0.00 32.46 33.18 1ths n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ths n ASN 78 N -4.17 1.52 -0.04 6.15 5.03 -1.26 -4.84 115.26 117.65 1ths n ASN 78 Ca 0.01 -3.04 -0.04 0.00 0.87 0.00 0.00 54.58 52.38 1ths n ASN 78 Cb 0.04 -0.41 -0.01 0.00 -1.02 0.00 0.00 39.78 38.38 1ths n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1ths n ILE 79 N -0.75 0.77 -2.00 2.41 2.08 -0.07 -5.05 119.36 116.74 1ths n ILE 79 Ca 0.13 0.31 -0.34 0.00 0.56 0.00 0.00 62.75 63.41 1ths n ILE 79 Cb 0.76 -1.91 0.02 0.00 -0.75 0.00 0.00 39.64 37.77 1ths n ILE 79 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1ths s GLU 80 N -1.97 3.08 -0.05 0.38 -1.05 -0.92 -4.81 118.70 113.36 1ths s GLU 80 Ca -0.14 1.50 0.04 0.00 -0.15 0.00 0.00 54.97 56.21 1ths s GLU 80 Cb 0.02 -1.98 0.00 0.00 -0.44 0.00 0.00 34.13 31.73 1ths s GLU 80 CO 0.21 -1.05 -0.15 0.15 0.95 0.00 0.00 175.26 175.37 1ths s LYS 81 N -3.70 1.68 -0.17 -4.83 3.01 0.65 -4.95 119.74 111.43 1ths s LYS 81 Ca 0.70 -0.53 -0.07 0.00 -1.01 0.00 0.00 55.97 55.06 1ths s LYS 81 Cb -0.22 -1.44 -0.04 0.00 -1.01 0.00 0.00 37.83 35.12 1ths s LYS 81 CO 0.34 0.17 0.05 0.42 0.51 0.00 0.00 175.35 176.84 1ths s ILE 82 N 0.21 4.66 0.20 2.17 -1.09 -1.26 -0.20 121.20 125.90 1ths s ILE 82 Ca -0.07 -0.08 0.09 0.00 -2.23 0.00 0.00 60.65 58.37 1ths s ILE 82 Cb -0.12 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.62 1ths s ILE 82 CO 0.02 0.47 -0.18 -0.44 -1.23 0.00 0.00 174.94 173.58 1ths s SER 83 N 0.30 2.93 0.09 3.58 0.01 0.37 -4.98 113.70 116.00 1ths s SER 83 Ca 0.02 -0.93 0.04 0.00 1.31 0.00 0.00 55.95 56.39 1ths s SER 83 Cb -0.13 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1ths s SER 83 CO 0.01 -0.03 0.05 -0.04 0.41 0.00 0.00 173.24 173.63 1ths s MET 84 N -3.11 2.75 -0.07 12.44 1.00 -1.26 -2.49 119.30 128.56 1ths s MET 84 Ca 0.21 -0.75 -0.17 0.00 0.00 0.00 0.00 55.69 54.98 1ths s MET 84 Cb -0.05 -2.65 -0.05 0.00 0.00 0.00 0.00 34.83 32.08 1ths s MET 84 CO 0.09 0.55 0.45 -0.51 0.00 0.00 0.00 175.02 175.60 1ths s LEU 85 N -2.37 4.36 -0.10 -0.03 1.43 -1.26 -1.82 118.68 118.89 1ths s LEU 85 Ca 0.28 0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 54.22 1ths s LEU 85 Cb -0.12 -2.66 -0.26 0.00 0.03 0.00 0.00 46.19 43.18 1ths s LEU 85 CO 0.21 0.13 0.45 -0.08 0.23 0.00 0.00 176.35 177.29 1ths h GLU 86 N 5.89 0.24 -2.05 1.70 4.81 0.06 -3.44 114.58 121.79 1ths h GLU 86 Ca -0.45 -0.42 -0.06 0.00 -0.13 0.00 0.00 59.36 58.30 1ths h GLU 86 Cb 1.19 0.16 -0.19 0.00 0.63 0.00 0.00 28.75 30.54 1ths h GLU 86 CO 0.70 1.13 0.19 0.21 -0.73 0.00 0.00 179.01 180.51 1ths s LYS 87 N -2.57 1.07 -0.10 1.92 2.36 -0.85 -5.02 119.74 116.55 1ths s LYS 87 Ca -0.19 0.22 0.02 0.00 -2.55 0.00 0.00 55.97 53.47 1ths s LYS 87 Cb 0.07 0.50 -0.01 0.00 -1.05 0.00 0.00 37.83 37.34 1ths s LYS 87 CO 0.79 -0.34 -0.17 0.42 1.55 0.00 0.00 175.35 177.60 1ths s ILE 88 N -1.33 2.72 -0.11 5.43 1.01 -1.26 -1.82 121.20 125.83 1ths s ILE 88 Ca -0.10 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1ths s ILE 88 Cb -0.00 -2.10 0.02 0.00 0.01 0.00 0.00 42.46 40.39 1ths s ILE 88 CO 0.09 0.55 -0.11 -0.31 0.00 0.00 0.00 174.94 175.15 1ths s TYR 89 N 0.15 1.74 -0.04 3.97 1.51 -0.46 -5.02 117.35 119.20 1ths s TYR 89 Ca -0.09 -0.86 -0.01 0.00 -1.01 0.00 0.00 57.07 55.09 1ths s TYR 89 Cb -0.15 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 1ths s TYR 89 CO 0.06 -0.51 0.05 0.42 -1.11 0.00 0.00 175.55 174.45 1ths s ILE 90 N 1.36 4.56 0.26 2.71 -1.09 -1.26 -0.47 121.20 127.27 1ths s ILE 90 Ca -0.00 -0.33 -0.30 0.00 -2.23 0.00 0.00 60.65 57.79 1ths s ILE 90 Cb -0.14 -3.01 -0.13 0.00 -1.58 0.00 0.00 42.46 37.60 1ths s ILE 90 CO -0.06 0.47 1.32 1.57 -1.23 0.00 0.00 174.94 177.01 1ths n HIS 91 N 1.63 2.02 0.23 3.97 -0.00 -1.16 -4.86 115.22 117.05 1ths n HIS 91 Ca -0.16 0.51 0.08 0.00 -0.00 0.00 0.00 57.72 58.14 1ths n HIS 91 Cb 0.53 -2.41 0.56 0.00 -0.00 0.00 0.00 29.99 28.67 1ths n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ths h PRO 92 N 3.60 0.00 -0.43 1.57 0.13 -1.95 -2.84 132.00 132.08 1ths h PRO 92 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 1ths h PRO 92 Cb 1.29 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 1ths h PRO 92 CO 0.71 0.20 0.06 0.54 -0.23 0.00 0.00 178.00 179.28 1ths n ARG 93 N -3.99 3.02 -1.69 0.86 5.12 -1.26 -4.98 116.66 113.74 1ths n ARG 93 Ca -0.02 -3.00 -0.44 0.00 -1.93 0.00 0.00 57.85 52.46 1ths n ARG 93 Cb 0.28 -1.97 -0.03 0.00 -1.16 0.00 0.00 32.46 29.58 1ths n ARG 93 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1ths n TYR 94 N -0.49 2.54 -3.24 -1.55 9.36 -1.08 -4.72 117.16 117.99 1ths n TYR 94 Ca 0.30 -0.02 -0.45 0.00 3.32 0.00 0.00 57.90 61.05 1ths n TYR 94 Cb 1.08 -2.68 -0.00 0.00 -0.63 0.00 0.00 39.34 37.11 1ths n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ths s ASN 95 N 2.28 7.18 0.27 2.98 3.84 -0.35 -4.85 114.94 126.30 1ths s ASN 95 Ca 0.81 -3.31 0.14 0.00 0.21 0.00 0.00 52.86 50.72 1ths s ASN 95 Cb -0.55 -2.26 0.24 0.00 -0.55 0.00 0.00 41.25 38.13 1ths s ASN 95 CO 0.38 -0.45 1.52 4.11 -2.79 0.00 0.00 177.10 179.88 1ths h TRP 96 N 6.98 0.00 -0.03 0.43 5.08 -1.91 -0.22 115.95 126.28 1ths h TRP 96 Ca 0.20 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.13 1ths h TRP 96 Cb 0.90 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.05 1ths h TRP 96 CO 0.88 0.59 -0.15 0.00 -1.28 0.00 0.00 178.44 178.47 1ths h ARG 97 N 0.00 0.04 0.00 0.12 3.08 -2.00 -3.44 114.38 112.19 1ths h ARG 97 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ths h ARG 97 Cb 1.28 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1ths h ARG 97 CO 0.08 0.19 -0.30 -1.91 -1.07 0.00 0.00 179.97 176.96 1ths n GLU 97 N -4.34 0.00 -0.21 0.04 2.13 -1.20 -5.00 120.64 112.05 1ths n GLU 97 Ca -0.02 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.81 1ths n GLU 97 Cb 0.23 -0.18 0.02 0.00 0.27 0.00 0.00 31.44 31.78 1ths n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ths n ASN 98 N -2.80 0.55 -2.14 4.31 6.94 -1.21 -4.99 115.26 115.92 1ths n ASN 98 Ca 0.00 -1.81 -0.19 0.00 -0.02 0.00 0.00 54.58 52.56 1ths n ASN 98 Cb 0.15 -0.14 -0.01 0.00 -2.36 0.00 0.00 39.78 37.42 1ths n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ths n LEU 99 N -0.26 -1.88 -4.77 -4.53 4.32 -0.10 -4.95 117.00 104.83 1ths n LEU 99 Ca 0.02 -0.03 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 1ths n LEU 99 Cb 0.57 -2.67 0.00 0.00 -1.62 0.00 0.00 43.42 39.71 1ths n LEU 99 CO 0.00 -0.17 1.09 -0.62 -1.22 0.00 0.00 177.39 176.47 1ths s ASP 100 N -2.19 6.28 -1.17 -1.43 2.15 -1.25 -2.93 116.67 116.12 1ths s ASP 100 Ca 0.01 2.94 -0.06 0.00 0.43 0.00 0.00 52.55 55.87 1ths s ASP 100 Cb -0.01 -2.66 0.01 0.00 -0.30 0.00 0.00 42.92 39.96 1ths s ASP 100 CO 0.02 -0.90 1.02 0.54 -0.17 0.00 0.00 175.17 175.67 1ths n ARG 101 N 0.31 -6.82 -2.41 4.34 1.74 -1.26 -1.21 116.66 111.35 1ths n ARG 101 Ca 0.02 0.74 -0.38 0.00 -0.77 0.00 0.00 57.85 57.46 1ths n ARG 101 Cb 0.40 -5.49 -0.02 0.00 -1.02 0.00 0.00 32.46 26.33 1ths n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ths s ASP 102 N -3.48 6.21 0.02 0.55 2.15 -1.15 -4.37 116.67 116.59 1ths s ASP 102 Ca 0.41 -1.92 -0.17 0.00 0.43 0.00 0.00 52.55 51.31 1ths s ASP 102 Cb -0.18 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 39.89 1ths s ASP 102 CO 0.65 -1.81 0.36 -0.51 -0.17 0.00 0.00 175.17 173.68 1ths s ILE 103 N 6.45 0.06 -0.18 4.11 2.07 -1.26 -3.98 121.20 128.46 1ths s ILE 103 Ca 0.57 -0.50 -0.27 0.00 -1.41 0.00 0.00 60.65 59.04 1ths s ILE 103 Cb 0.01 -0.83 0.08 0.00 0.13 0.00 0.00 42.46 41.84 1ths s ILE 103 CO 0.05 -0.27 0.73 0.00 -1.91 0.00 0.00 174.94 173.54 1ths s ALA 104 N -2.01 -1.79 0.08 1.50 0.00 -0.68 -2.96 121.76 115.90 1ths s ALA 104 Ca -0.08 1.73 0.03 0.00 0.00 0.00 0.00 51.96 53.64 1ths s ALA 104 Cb -0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1ths s ALA 104 CO 0.01 -0.34 0.11 -0.51 0.00 0.00 0.00 175.76 175.02 1ths s LEU 105 N -0.28 3.91 -0.09 0.00 1.43 0.38 -2.01 118.68 122.02 1ths s LEU 105 Ca -0.04 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1ths s LEU 105 Cb -0.03 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.64 1ths s LEU 105 CO 0.04 0.16 -0.07 -0.04 0.23 0.00 0.00 176.35 176.67 1ths s MET 106 N -2.47 1.36 -0.30 1.70 -1.94 0.29 -1.35 119.30 116.58 1ths s MET 106 Ca 0.30 -0.21 -0.09 0.00 -1.71 0.00 0.00 55.69 53.98 1ths s MET 106 Cb -0.12 -1.40 -0.01 0.00 2.01 0.00 0.00 34.83 35.31 1ths s MET 106 CO 0.23 -0.21 0.15 0.21 -0.01 0.00 0.00 175.02 175.39 1ths s LYS 107 N 1.50 3.40 0.48 2.03 2.20 -0.76 -0.59 119.74 128.01 1ths s LYS 107 Ca 0.00 -0.67 -0.19 0.00 -0.36 0.00 0.00 55.97 54.75 1ths s LYS 107 Cb -0.13 -3.55 -0.09 0.00 -1.51 0.00 0.00 37.83 32.55 1ths s LYS 107 CO -0.05 -0.38 1.00 -0.51 -0.36 0.00 0.00 175.35 175.05 1ths s LEU 108 N 1.62 3.80 0.24 5.43 1.43 -0.33 0.71 118.68 131.58 1ths s LEU 108 Ca 0.05 1.76 -0.07 0.00 -1.03 0.00 0.00 54.13 54.84 1ths s LEU 108 Cb -0.17 -4.54 0.24 0.00 0.03 0.00 0.00 46.19 41.76 1ths s LEU 108 CO 0.06 -0.64 1.92 0.11 0.23 0.00 0.00 176.35 178.04 1ths h LYS 109 N 1.43 1.28 -3.72 1.70 1.79 -1.65 -3.40 116.57 114.00 1ths h LYS 109 Ca -0.48 -0.08 -0.17 0.00 -2.18 0.00 0.00 60.65 57.73 1ths h LYS 109 Cb 1.20 -0.29 -0.23 0.00 -1.58 0.00 0.00 32.23 31.34 1ths h LYS 109 CO 0.60 0.85 -0.62 0.15 -1.08 0.00 0.00 179.45 179.35 1ths s LYS 110 N -6.11 0.30 0.40 3.15 1.02 -1.26 -4.99 119.74 112.25 1ths s LYS 110 Ca -0.13 -0.35 -0.27 0.00 0.02 0.00 0.00 55.97 55.24 1ths s LYS 110 Cb 0.18 0.12 -0.10 0.00 -0.52 0.00 0.00 37.83 37.51 1ths s LYS 110 CO 0.81 -0.06 1.44 -2.14 -0.92 0.00 0.00 175.35 174.48 1ths s PRO 111 N -1.02 3.95 0.07 -1.68 0.02 -1.26 -4.88 135.00 130.20 1ths s PRO 111 Ca -0.11 2.46 -0.04 0.00 0.02 0.00 0.00 61.00 63.33 1ths s PRO 111 Cb -0.07 -2.84 -0.05 0.00 0.02 0.00 0.00 34.50 31.57 1ths s PRO 111 CO 0.00 -0.61 0.28 0.54 -0.33 0.00 0.00 177.00 176.88 1ths s VAL 112 N -1.16 5.29 -0.13 3.83 0.11 0.10 -5.02 120.40 123.42 1ths s VAL 112 Ca 0.56 -0.08 -0.10 0.00 -2.93 0.00 0.00 61.98 59.43 1ths s VAL 112 Cb -0.44 -3.61 -0.05 0.00 -1.53 0.00 0.00 36.38 30.75 1ths s VAL 112 CO 0.59 0.17 0.20 0.00 -3.33 0.00 0.00 175.10 172.73 1ths s ALA 113 N -1.50 3.76 0.89 1.54 0.00 -1.26 -4.76 121.76 120.43 1ths s ALA 113 Ca 0.35 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 1ths s ALA 113 Cb -0.13 -2.14 0.13 0.00 0.00 0.00 0.00 23.12 20.98 1ths s ALA 113 CO 0.23 0.40 1.10 -0.06 0.00 0.00 0.00 175.76 177.44 1ths s PHE 114 N -0.46 2.46 0.02 0.00 0.08 -1.26 -4.88 117.98 113.93 1ths s PHE 114 Ca 0.15 1.09 -0.13 0.00 0.12 0.00 0.00 56.93 58.16 1ths s PHE 114 Cb -0.13 -3.22 0.04 0.00 -0.57 0.00 0.00 43.02 39.15 1ths s PHE 114 CO 0.04 -2.31 0.59 -1.13 -0.10 0.00 0.00 175.22 172.30 1ths n SER 115 N -3.79 -0.65 0.26 1.36 3.41 -0.82 -4.93 113.62 108.46 1ths n SER 115 Ca 0.07 -1.20 0.09 0.00 -0.26 0.00 0.00 58.87 57.56 1ths n SER 115 Cb 0.57 1.02 0.66 0.00 -0.26 0.00 0.00 64.21 66.19 1ths n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ths h ASP 116 N 0.96 0.00 -0.01 4.04 3.32 -1.99 -2.86 116.42 119.87 1ths h ASP 116 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1ths h ASP 116 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1ths h ASP 116 CO 0.16 0.00 -0.31 -1.22 -1.72 0.00 0.00 179.24 176.14 1ths n TYR 117 N -4.50 0.00 -3.95 4.55 4.01 -1.26 -4.77 117.16 111.24 1ths n TYR 117 Ca -0.03 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.42 1ths n TYR 117 Cb 0.10 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.97 1ths n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ths s ILE 118 N -1.81 1.42 -0.24 -0.72 1.01 -1.08 -4.33 121.20 115.45 1ths s ILE 118 Ca 0.12 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 59.64 1ths s ILE 118 Cb 0.12 -1.55 0.08 0.00 0.01 0.00 0.00 42.46 41.12 1ths s ILE 118 CO 0.38 0.13 0.78 -2.28 0.00 0.00 0.00 174.94 173.95 1ths s HIS 119 N 1.49 -0.70 0.61 3.97 2.46 -0.15 -1.94 115.29 121.03 1ths s HIS 119 Ca -0.01 1.64 -0.13 0.00 0.47 0.00 0.00 55.06 57.03 1ths s HIS 119 Cb -0.16 0.31 -0.03 0.00 -0.13 0.00 0.00 32.58 32.57 1ths s HIS 119 CO -0.08 -0.38 1.04 -1.25 -2.47 0.00 0.00 174.74 171.60 1ths s PRO 120 N 0.10 3.39 0.23 2.88 0.04 -1.26 -2.29 135.00 138.09 1ths s PRO 120 Ca -0.01 0.98 0.05 0.00 0.04 0.00 0.00 61.00 62.06 1ths s PRO 120 Cb -0.04 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1ths s PRO 120 CO 0.01 -0.74 0.29 0.54 0.04 0.00 0.00 177.00 177.14 1ths s VAL 121 N -2.83 4.96 0.49 -0.36 0.11 -0.92 -4.90 120.40 116.95 1ths s VAL 121 Ca 0.59 -1.11 -0.11 0.00 -2.93 0.00 0.00 61.98 58.42 1ths s VAL 121 Cb -0.13 -3.67 -0.06 0.00 -1.53 0.00 0.00 36.38 30.99 1ths s VAL 121 CO 0.45 -0.31 0.87 0.00 -3.33 0.00 0.00 175.10 172.79 1ths s LEU 123 N -4.38 4.28 0.55 0.00 1.43 -1.26 -1.92 118.68 117.39 1ths s LEU 123 Ca 0.53 0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 53.79 1ths s LEU 123 Cb -0.10 -2.10 -0.06 0.00 0.03 0.00 0.00 46.19 43.96 1ths s LEU 123 CO 0.39 0.27 1.06 -2.16 0.23 0.00 0.00 176.35 176.14 1ths s PRO 124 N -0.19 3.50 0.30 1.29 0.04 -1.26 -4.96 135.00 133.72 1ths s PRO 124 Ca 0.11 1.33 0.06 0.00 0.04 0.00 0.00 61.00 62.55 1ths s PRO 124 Cb -0.12 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1ths s PRO 124 CO 0.01 -0.68 0.39 0.16 0.04 0.00 0.00 177.00 176.92 1ths s ASP 125 N -2.31 5.91 0.27 6.66 -4.77 -1.26 -4.91 116.67 116.27 1ths s ASP 125 Ca 0.66 -0.18 0.01 0.00 -3.30 0.00 0.00 52.55 49.75 1ths s ASP 125 Cb -0.17 -1.37 0.58 0.00 -1.09 0.00 0.00 42.92 40.87 1ths s ASP 125 CO 0.29 -0.29 1.77 -0.09 0.70 0.00 0.00 175.17 177.55 1ths h ARG 126 N 1.07 0.67 -0.37 2.11 2.43 -1.97 -1.40 114.38 116.92 1ths h ARG 126 Ca -0.47 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 58.54 1ths h ARG 126 Cb 1.25 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1ths h ARG 126 CO 0.56 0.44 -0.24 0.93 -1.51 0.00 0.00 179.97 180.16 1ths h GLU 127 N 0.69 0.73 -0.38 0.20 3.07 -2.04 -1.63 114.58 115.22 1ths h GLU 127 Ca 0.49 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1ths h GLU 127 Cb 0.70 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1ths h GLU 127 CO -0.36 0.90 0.00 2.41 -1.40 0.00 0.00 179.01 180.56 1ths n THR 128 N -4.11 0.01 0.00 1.13 -1.04 -0.53 -1.85 114.28 107.90 1ths n THR 128 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ths n THR 128 Cb 0.44 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1ths n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ths n ALA 129 N 0.35 0.00 0.31 2.41 0.00 -0.61 -1.20 120.51 121.76 1ths n ALA 129 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1ths n ALA 129 Cb 0.09 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.84 1ths n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ths h SER 129 N 0.00 0.00 0.00 0.00 4.64 -1.65 -3.37 113.55 113.17 1ths h SER 129 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 1ths h SER 129 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1ths h SER 129 CO 0.00 0.00 -2.27 0.18 -0.87 0.00 0.00 176.83 173.87 1ths n LEU 129 N -2.91 0.00 -3.72 5.97 4.77 -0.34 -4.69 117.00 116.08 1ths n LEU 129 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1ths n LEU 129 Cb 0.47 0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.91 1ths n LEU 129 CO 0.32 0.39 2.32 0.18 -1.33 0.00 0.00 177.39 179.27 1ths n LEU 130 N -2.63 5.17 -4.04 2.23 4.77 -1.26 -4.81 117.00 116.43 1ths n LEU 130 Ca -0.26 -3.42 -0.20 0.00 -0.03 0.00 0.00 56.01 52.10 1ths n LEU 130 Cb 1.02 -1.36 -0.15 0.00 -2.33 0.00 0.00 43.42 40.60 1ths n LEU 130 CO 0.42 0.19 -0.45 -1.10 -1.33 0.00 0.00 177.39 175.12 1ths s GLN 131 N 4.32 0.93 0.21 3.23 -0.21 -1.26 -4.97 119.66 121.90 1ths s GLN 131 Ca 0.54 -0.37 -0.32 0.00 0.02 0.00 0.00 55.36 55.23 1ths s GLN 131 Cb 0.14 -0.88 -0.15 0.00 1.00 0.00 0.00 33.01 33.12 1ths s GLN 131 CO 0.04 0.19 1.25 0.00 -2.12 0.00 0.00 175.29 174.65 1ths n ALA 132 N 2.98 0.04 0.00 6.09 0.00 -1.26 0.15 120.51 128.51 1ths n ALA 132 Ca -0.15 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1ths n ALA 132 Cb 0.56 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1ths n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ths n GLY 133 N 2.00 2.77 3.76 0.00 0.00 0.24 -4.93 105.19 109.02 1ths n GLY 133 Ca 0.13 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1ths n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ths s TYR 134 N -1.17 3.22 -0.03 1.61 1.51 0.12 -4.58 117.35 118.03 1ths s TYR 134 Ca 0.00 1.43 -0.08 0.00 -1.01 0.00 0.00 57.07 57.41 1ths s TYR 134 Cb 0.00 -3.57 -0.05 0.00 -0.11 0.00 0.00 41.96 38.23 1ths s TYR 134 CO 0.00 -1.56 0.25 0.15 -1.11 0.00 0.00 175.55 173.28 1ths s LYS 135 N -1.30 3.59 0.50 -0.62 1.02 -1.26 -0.33 119.74 121.34 1ths s LYS 135 Ca 0.50 -0.01 0.02 0.00 0.02 0.00 0.00 55.97 56.49 1ths s LYS 135 Cb -0.37 -3.14 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 1ths s LYS 135 CO 0.46 0.70 0.01 0.20 -0.92 0.00 0.00 175.35 175.80 1ths s GLY 136 N -1.39 2.96 -0.05 -3.33 0.00 -0.40 -4.87 107.32 100.24 1ths s GLY 136 Ca 0.23 -0.58 0.04 0.00 0.00 0.00 0.00 44.72 44.41 1ths s GLY 136 CO 0.12 -2.17 -0.16 -1.60 0.00 0.00 0.00 173.10 169.29 1ths s ARG 137 N -3.85 1.73 0.00 2.90 3.52 -0.30 -1.51 118.95 121.44 1ths s ARG 137 Ca 0.09 -0.55 0.08 0.00 -0.13 0.00 0.00 55.73 55.22 1ths s ARG 137 Cb 0.02 -1.49 -0.02 0.00 -1.56 0.00 0.00 34.95 31.90 1ths s ARG 137 CO 0.05 0.19 -0.25 0.08 -0.81 0.00 0.00 175.30 174.56 1ths s VAL 138 N 0.19 2.21 0.10 7.11 1.01 0.40 -1.29 120.40 130.14 1ths s VAL 138 Ca -0.06 -1.17 0.05 0.00 0.00 0.00 0.00 61.98 60.79 1ths s VAL 138 Cb -0.12 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1ths s VAL 138 CO 0.03 0.50 -0.12 0.42 0.00 0.00 0.00 175.10 175.92 1ths s THR 139 N -0.70 1.14 0.00 3.92 -4.23 -1.25 -1.69 115.64 112.82 1ths s THR 139 Ca 0.11 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1ths s THR 139 Cb -0.10 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.35 1ths s THR 139 CO 0.01 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 1ths n GLY 140 N 0.65 1.08 1.58 3.99 0.00 -0.85 -4.66 105.19 106.98 1ths n GLY 140 Ca -0.17 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 44.99 1ths n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ths n TRP 141 N -0.37 1.81 -1.33 1.61 8.01 -1.26 -2.44 117.44 123.46 1ths n TRP 141 Ca 0.00 -1.00 -0.21 0.00 -1.31 0.00 0.00 57.50 54.98 1ths n TRP 141 Cb 0.00 -0.52 0.16 0.00 -2.01 0.00 0.00 31.31 28.94 1ths n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ths n GLY 142 N -0.12 -1.93 3.61 6.99 0.00 -1.26 -4.63 105.19 107.85 1ths n GLY 142 Ca 0.31 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 1ths n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ths n ASN 143 N -3.90 1.19 0.04 1.61 3.02 0.13 -3.30 115.26 114.05 1ths n ASN 143 Ca 0.11 1.00 0.11 0.00 -0.03 0.00 0.00 54.58 55.78 1ths n ASN 143 Cb 0.41 -1.36 -0.01 0.00 -0.61 0.00 0.00 39.78 38.21 1ths n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ths n LEU 144 N 0.36 0.57 -3.89 3.41 4.77 -0.44 -1.17 117.00 120.61 1ths n LEU 144 Ca 0.10 0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 1ths n LEU 144 Cb 0.40 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.28 1ths n LEU 144 CO 0.56 -0.01 -0.37 -0.54 -1.33 0.00 0.00 177.39 175.70 1ths s LYS 145 N -3.28 0.10 0.21 3.23 -0.14 -1.26 -4.23 119.74 114.36 1ths s LYS 145 Ca 0.01 -0.05 -0.10 0.00 -1.36 0.00 0.00 55.97 54.47 1ths s LYS 145 Cb 0.13 -0.09 0.21 0.00 -1.68 0.00 0.00 37.83 36.40 1ths s LYS 145 CO 0.82 0.03 1.84 1.49 -0.76 0.00 0.00 175.35 178.76 1ths h GLU 146 N 6.10 0.78 -0.17 1.68 4.81 -1.91 -3.47 114.58 122.40 1ths h GLU 146 Ca -0.25 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 58.81 1ths h GLU 146 Cb 1.21 -0.18 -0.14 0.00 0.63 0.00 0.00 28.75 30.27 1ths h GLU 146 CO 0.51 0.52 -0.27 -2.37 -0.73 0.00 0.00 179.01 176.66 1ths n THR 147 N -4.70 0.00 0.00 0.32 5.66 -1.26 -4.94 114.28 109.36 1ths n THR 147 Ca 0.08 -0.92 0.00 0.00 -3.05 0.00 0.00 64.05 60.16 1ths n THR 147 Cb 0.12 1.14 0.00 0.00 -1.55 0.00 0.00 70.33 70.03 1ths n THR 147 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ths n GLY 150 N 1.93 0.71 3.74 1.09 0.00 -1.26 -5.13 105.19 106.27 1ths n GLY 150 Ca 0.08 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1ths n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ths s GLN 151 N 0.19 3.09 0.72 1.61 -0.21 -1.26 -1.33 119.66 122.47 1ths s GLN 151 Ca 0.00 -0.36 -0.07 0.00 0.02 0.00 0.00 55.36 54.95 1ths s GLN 151 Cb 0.00 -2.89 0.08 0.00 1.00 0.00 0.00 33.01 31.20 1ths s GLN 151 CO 0.00 0.71 1.04 -1.25 -2.12 0.00 0.00 175.29 173.67 1ths s PRO 152 N -1.06 2.05 -0.19 2.91 0.04 -1.26 -4.96 135.00 132.52 1ths s PRO 152 Ca 0.15 -0.32 -0.05 0.00 0.04 0.00 0.00 61.00 60.83 1ths s PRO 152 Cb -0.12 -2.15 -0.21 0.00 0.04 0.00 0.00 34.50 32.06 1ths s PRO 152 CO 0.05 -1.34 0.07 0.45 0.04 0.00 0.00 177.00 176.26 1ths n SER 153 N -2.98 2.04 -4.56 6.66 2.88 -1.26 -4.85 113.62 111.55 1ths n SER 153 Ca 0.09 0.10 -0.24 0.00 -1.33 0.00 0.00 58.87 57.48 1ths n SER 153 Cb 0.60 -0.69 -0.09 0.00 -0.75 0.00 0.00 64.21 63.28 1ths n SER 153 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ths s VAL 154 N -2.52 2.71 0.16 2.46 0.11 -1.26 -1.52 120.40 120.54 1ths s VAL 154 Ca -0.29 -2.16 -0.34 0.00 -2.93 0.00 0.00 61.98 56.26 1ths s VAL 154 Cb 0.08 -2.60 -0.14 0.00 -1.53 0.00 0.00 36.38 32.19 1ths s VAL 154 CO 0.67 -0.32 1.56 -0.11 -3.33 0.00 0.00 175.10 173.57 1ths n LEU 155 N -0.79 3.02 -4.82 2.54 7.94 -0.78 -4.87 117.00 119.25 1ths n LEU 155 Ca -0.05 1.09 -0.26 0.00 -1.11 0.00 0.00 56.01 55.68 1ths n LEU 155 Cb 0.61 -1.41 -0.05 0.00 0.53 0.00 0.00 43.42 43.09 1ths n LEU 155 CO 0.41 -0.34 -0.20 -1.10 -1.11 0.00 0.00 177.39 175.04 1ths s GLN 156 N 0.81 2.96 0.02 1.96 -1.52 -1.02 -0.43 119.66 122.44 1ths s GLN 156 Ca 0.78 -0.84 0.03 0.00 -1.95 0.00 0.00 55.36 53.39 1ths s GLN 156 Cb -0.69 -2.68 -0.02 0.00 -0.22 0.00 0.00 33.01 29.40 1ths s GLN 156 CO 0.39 0.49 -0.10 0.54 -0.25 0.00 0.00 175.29 176.36 1ths s VAL 157 N -1.75 0.74 -0.07 1.09 0.11 0.28 -2.01 120.40 118.78 1ths s VAL 157 Ca 0.31 -0.73 -0.10 0.00 -2.93 0.00 0.00 61.98 58.54 1ths s VAL 157 Cb -0.10 -0.68 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 1ths s VAL 157 CO 0.24 -0.03 0.26 0.54 -3.33 0.00 0.00 175.10 172.78 1ths s VAL 158 N -0.70 0.02 -0.23 2.04 0.11 -0.68 -1.21 120.40 119.75 1ths s VAL 158 Ca -0.01 -0.18 -0.07 0.00 -2.93 0.00 0.00 61.98 58.80 1ths s VAL 158 Cb -0.06 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 1ths s VAL 158 CO 0.00 -0.10 0.05 0.20 -3.33 0.00 0.00 175.10 171.92 1ths s ASN 159 N -0.33 5.09 0.05 3.54 0.01 -1.26 -0.45 114.94 121.59 1ths s ASN 159 Ca -0.04 -0.18 0.04 0.00 -0.71 0.00 0.00 52.86 51.97 1ths s ASN 159 Cb -0.03 -1.90 -0.02 0.00 0.41 0.00 0.00 41.25 39.71 1ths s ASN 159 CO 0.01 0.02 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.74 1ths s LEU 160 N 1.30 2.23 0.25 0.60 1.43 -0.57 -4.97 118.68 118.96 1ths s LEU 160 Ca 0.05 -0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 52.42 1ths s LEU 160 Cb -0.15 -0.40 -0.09 0.00 0.03 0.00 0.00 46.19 45.58 1ths s LEU 160 CO 0.03 -0.08 0.77 -2.16 0.23 0.00 0.00 176.35 175.13 1ths s PRO 161 N -1.44 4.30 0.24 1.29 0.04 -1.26 -1.28 135.00 136.89 1ths s PRO 161 Ca -0.04 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 61.66 1ths s PRO 161 Cb -0.09 -2.82 -0.09 0.00 0.04 0.00 0.00 34.50 31.54 1ths s PRO 161 CO 0.01 0.35 1.15 0.42 0.04 0.00 0.00 177.00 178.97 1ths s ILE 162 N -1.58 3.51 0.01 0.56 1.01 0.55 -2.23 121.20 123.03 1ths s ILE 162 Ca 0.45 1.40 0.01 0.00 0.00 0.00 0.00 60.65 62.52 1ths s ILE 162 Cb -0.16 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1ths s ILE 162 CO 0.21 0.29 0.06 -0.69 0.00 0.00 0.00 174.94 174.80 1ths s VAL 163 N -0.67 4.52 0.31 2.92 1.01 -1.11 0.80 120.40 128.18 1ths s VAL 163 Ca 0.48 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 1ths s VAL 163 Cb -0.32 -3.07 -0.12 0.00 0.00 0.00 0.00 36.38 32.87 1ths s VAL 163 CO 0.40 0.32 1.54 -0.62 0.00 0.00 0.00 175.10 176.74 1ths n GLU 164 N 1.12 2.61 -0.23 2.72 4.71 -1.26 -4.64 120.64 125.67 1ths n GLU 164 Ca -0.13 0.93 -0.03 0.00 -0.01 0.00 0.00 57.16 57.92 1ths n GLU 164 Cb 0.52 -2.68 0.03 0.00 -1.01 0.00 0.00 31.44 28.31 1ths n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ths h ARG 165 N 4.25 -0.10 -0.21 3.49 3.08 -1.99 -1.67 114.38 121.23 1ths h ARG 165 Ca -0.48 0.01 0.05 0.00 0.07 0.00 0.00 59.98 59.64 1ths h ARG 165 Cb 1.24 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 31.24 1ths h ARG 165 CO 0.75 -0.06 -0.36 -1.35 -1.07 0.00 0.00 179.97 177.88 1ths h PRO 166 N -0.10 -0.37 -0.46 0.04 0.11 -1.98 0.26 132.00 129.50 1ths h PRO 166 Ca 0.28 0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.50 1ths h PRO 166 Cb 0.55 0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.67 1ths h PRO 166 CO -0.72 -0.25 -0.00 0.28 -0.21 0.00 0.00 178.00 177.10 1ths h VAL 167 N -0.39 0.64 -0.14 3.15 2.07 -1.84 0.24 116.25 119.98 1ths h VAL 167 Ca 0.11 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1ths h VAL 167 Cb 0.57 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1ths h VAL 167 CO -0.42 0.02 -0.04 0.00 0.02 0.00 0.00 177.57 177.15 1ths h LYS 169 N -0.01 0.90 0.00 0.00 1.57 0.30 -2.98 116.57 116.35 1ths h LYS 169 Ca 0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1ths h LYS 169 Cb 0.11 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1ths h LYS 169 CO -0.15 0.59 0.00 -0.25 -0.57 0.00 0.00 179.45 179.07 1ths n ASP 170 N -4.65 0.23 -0.14 0.86 8.00 0.77 -3.50 116.55 118.12 1ths n ASP 170 Ca 0.13 0.54 0.12 0.00 0.71 0.00 0.00 54.79 56.29 1ths n ASP 170 Cb 0.21 -0.60 0.17 0.00 -0.02 0.00 0.00 41.12 40.89 1ths n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ths n SER 171 N -1.74 0.98 -4.15 -2.24 3.41 -1.09 -5.00 113.62 103.79 1ths n SER 171 Ca 0.04 -0.78 -0.11 0.00 -0.26 0.00 0.00 58.87 57.76 1ths n SER 171 Cb 0.25 0.41 -0.09 0.00 -0.26 0.00 0.00 64.21 64.52 1ths n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ths s THR 172 N -2.78 0.01 -2.74 6.66 -1.32 -1.23 -4.94 115.64 109.31 1ths s THR 172 Ca 0.15 -1.86 0.24 0.00 -1.21 0.00 0.00 61.69 59.01 1ths s THR 172 Cb 0.18 -2.37 0.17 0.00 -1.51 0.00 0.00 72.50 68.97 1ths s THR 172 CO 0.67 -0.07 1.26 0.54 -2.21 0.00 0.00 174.62 174.80 1ths n ARG 173 N -0.27 2.02 -2.74 7.08 1.74 -1.26 -4.94 116.66 118.29 1ths n ARG 173 Ca 0.00 -1.64 -0.38 0.00 -0.77 0.00 0.00 57.85 55.06 1ths n ARG 173 Cb 0.65 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.56 1ths n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ths s ILE 174 N -2.11 4.10 -0.36 0.55 1.01 -1.26 -5.01 121.20 118.11 1ths s ILE 174 Ca 0.26 1.83 -0.29 0.00 0.00 0.00 0.00 60.65 62.46 1ths s ILE 174 Cb 0.20 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.62 1ths s ILE 174 CO 0.37 0.23 1.28 -0.60 0.00 0.00 0.00 174.94 176.21 1ths s ARG 175 N -1.85 3.81 0.33 2.79 3.52 -1.26 -5.03 118.95 121.26 1ths s ARG 175 Ca 0.48 1.03 -0.26 0.00 -0.13 0.00 0.00 55.73 56.85 1ths s ARG 175 Cb -0.21 -3.91 -0.09 0.00 -1.56 0.00 0.00 34.95 29.18 1ths s ARG 175 CO 0.27 -1.26 1.00 0.42 -0.81 0.00 0.00 175.30 174.92 1ths s ILE 176 N 4.59 3.94 0.43 4.11 -1.09 -1.26 -4.89 121.20 127.02 1ths s ILE 176 Ca 0.55 1.66 0.06 0.00 -2.23 0.00 0.00 60.65 60.69 1ths s ILE 176 Cb -0.14 -3.94 -0.06 0.00 -1.58 0.00 0.00 42.46 36.74 1ths s ILE 176 CO 0.26 0.17 0.04 0.42 -1.23 0.00 0.00 174.94 174.61 1ths s THR 177 N -1.51 1.93 -0.03 2.92 -4.23 -1.26 -5.01 115.64 108.45 1ths s THR 177 Ca 0.50 -1.94 0.31 0.00 -1.18 0.00 0.00 61.69 59.39 1ths s THR 177 Cb -0.22 -2.87 0.36 0.00 1.34 0.00 0.00 72.50 71.11 1ths s THR 177 CO 0.28 0.00 1.93 0.44 -0.54 0.00 0.00 174.62 176.73 1ths h ASP 178 N 1.63 0.00 -0.01 3.99 3.32 -2.03 -2.56 116.42 120.77 1ths h ASP 178 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1ths h ASP 178 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1ths h ASP 178 CO 0.78 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.89 1ths n ASN 179 N -2.88 0.08 -4.31 6.45 3.02 -1.26 -4.87 115.26 111.49 1ths n ASN 179 Ca 0.01 -1.62 -0.19 0.00 -0.03 0.00 0.00 54.58 52.75 1ths n ASN 179 Cb 0.28 -0.01 -0.11 0.00 -0.61 0.00 0.00 39.78 39.34 1ths n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ths s MET 180 N -1.99 1.23 -0.07 3.52 -1.94 -0.96 -0.88 119.30 118.21 1ths s MET 180 Ca 0.19 -1.46 -0.16 0.00 -1.71 0.00 0.00 55.69 52.55 1ths s MET 180 Cb 0.09 -1.09 0.03 0.00 2.01 0.00 0.00 34.83 35.87 1ths s MET 180 CO 0.15 0.20 0.38 -0.59 -0.01 0.00 0.00 175.02 175.14 1ths s PHE 181 N -2.59 -0.33 0.14 -0.03 -0.12 -1.03 -4.82 117.98 109.20 1ths s PHE 181 Ca 0.17 0.67 0.09 0.00 -0.05 0.00 0.00 56.93 57.82 1ths s PHE 181 Cb -0.03 0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.47 1ths s PHE 181 CO 0.05 -0.33 -0.18 0.00 -0.05 0.00 0.00 175.22 174.71 1ths s ALA 183 N -1.30 -0.40 0.00 0.00 0.00 0.22 -2.76 121.76 117.52 1ths s ALA 183 Ca 0.19 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1ths s ALA 183 Cb -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.87 1ths s ALA 183 CO 0.11 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.15 1ths n GLY 184 N 2.43 2.88 3.83 0.00 0.00 -0.95 -1.68 105.19 111.71 1ths n GLY 184 Ca -0.16 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 1ths n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ths s TYR 184 N -2.00 3.39 0.44 1.61 2.02 -1.26 -4.48 117.35 117.07 1ths s TYR 184 Ca 0.00 1.42 -0.05 0.00 -0.37 0.00 0.00 57.07 58.08 1ths s TYR 184 Cb 0.00 -2.69 -0.04 0.00 -0.40 0.00 0.00 41.96 38.83 1ths s TYR 184 CO 0.00 0.04 0.73 0.15 -1.57 0.00 0.00 175.55 174.90 1ths s LYS 185 N -2.93 3.56 0.36 -0.62 1.02 -1.26 -4.85 119.74 115.02 1ths s LYS 185 Ca 0.56 0.12 0.09 0.00 0.02 0.00 0.00 55.97 56.76 1ths s LYS 185 Cb -0.11 -2.44 0.68 0.00 -0.52 0.00 0.00 37.83 35.45 1ths s LYS 185 CO 0.16 -0.10 1.85 -1.00 -0.92 0.00 0.00 175.35 175.34 1ths h PRO 186 N 0.50 0.23 -0.21 -1.68 0.14 -1.97 -2.52 132.00 126.49 1ths h PRO 186 Ca -0.47 -0.07 -0.03 0.00 0.14 0.00 0.00 66.00 65.57 1ths h PRO 186 Cb 1.20 -0.02 -0.01 0.00 0.14 0.00 0.00 31.00 32.31 1ths h PRO 186 CO 0.62 0.44 0.03 0.38 0.14 0.00 0.00 178.00 179.61 1ths h ASP 186 N 0.21 0.33 0.00 1.44 2.03 -1.97 -2.75 116.42 115.71 1ths h ASP 186 Ca 0.04 -0.27 0.00 0.00 -0.73 0.00 0.00 57.03 56.07 1ths h ASP 186 Cb 0.51 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.93 1ths h ASP 186 CO 0.03 0.51 0.04 -0.33 -1.03 0.00 0.00 179.24 178.46 1ths h GLU 186 N 0.14 0.00 -0.93 4.15 5.08 -1.85 -3.46 114.58 117.70 1ths h GLU 186 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ths h GLU 186 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ths h GLU 186 CO 0.00 0.00 -0.04 0.41 -1.00 0.00 0.00 179.01 178.39 1ths n GLY 186 N -1.29 0.00 0.00 -3.84 0.00 -1.04 -4.94 105.19 94.08 1ths n GLY 186 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ths n GLY 186 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ths n LYS 186 N 0.77 0.00 -1.28 1.61 4.81 -1.26 -5.13 118.16 117.68 1ths n LYS 186 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ths n LYS 186 Cb 0.02 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.07 1ths n LYS 186 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1ths n ARG 187 N -0.11 0.00 0.00 1.64 1.85 -1.26 -4.71 116.66 114.07 1ths n ARG 187 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1ths n ARG 187 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1ths n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ths n GLY 188 N 0.00 3.96 3.81 2.89 0.00 -1.26 -4.91 105.19 109.69 1ths n GLY 188 Ca 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 46.02 44.35 1ths n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ths s ASP 189 N 0.00 -0.17 0.62 1.61 2.15 -0.93 -4.72 116.67 115.24 1ths s ASP 189 Ca 0.00 -0.59 -0.08 0.00 0.43 0.00 0.00 52.55 52.31 1ths s ASP 189 Cb 0.00 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.23 1ths s ASP 189 CO 0.00 -1.15 0.96 0.00 -0.17 0.00 0.00 175.17 174.81 1ths s ALA 190 N -3.28 3.17 0.33 3.66 0.00 -1.26 -1.39 121.76 122.99 1ths s ALA 190 Ca 0.13 -0.50 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 1ths s ALA 190 Cb -0.03 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 20.32 1ths s ALA 190 CO 0.05 -0.84 0.53 0.00 0.00 0.00 0.00 175.76 175.50 1ths n GLU 192 N -0.52 1.27 0.00 0.00 4.71 -1.26 -0.52 120.64 124.32 1ths n GLU 192 Ca -0.01 0.46 0.00 0.00 -0.01 0.00 0.00 57.16 57.60 1ths n GLU 192 Cb 0.61 -2.14 0.00 0.00 -1.01 0.00 0.00 31.44 28.90 1ths n GLU 192 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ths n GLY 193 N 3.47 3.14 0.15 0.62 0.00 -1.26 0.18 105.19 111.49 1ths n GLY 193 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 1ths n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ths h ASP 194 N 0.06 0.18 -0.74 1.61 3.32 -1.13 -3.33 116.42 116.39 1ths h ASP 194 Ca 0.00 -0.11 -0.53 0.00 0.02 0.00 0.00 57.03 56.41 1ths h ASP 194 Cb 0.00 -0.05 0.06 0.00 0.22 0.00 0.00 39.33 39.56 1ths h ASP 194 CO 0.00 0.79 -0.23 -0.24 -1.72 0.00 0.00 179.24 177.84 1ths n SER 195 N -3.80 -0.59 0.00 6.45 2.88 -1.25 -1.95 113.62 115.36 1ths n SER 195 Ca -0.02 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1ths n SER 195 Cb 0.66 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1ths n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ths n GLY 196 N 1.34 1.65 3.43 0.46 0.00 -0.50 -1.09 105.19 110.47 1ths n GLY 196 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1ths n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ths n GLY 197 N -2.00 -1.41 3.79 -0.02 0.00 -0.82 -3.14 105.19 101.59 1ths n GLY 197 Ca 0.00 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 1ths n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ths s PRO 198 N -5.56 4.46 -0.37 1.61 0.04 -1.26 -1.47 135.00 132.45 1ths s PRO 198 Ca 0.67 1.21 -0.07 0.00 0.04 0.00 0.00 61.00 62.85 1ths s PRO 198 Cb -0.02 -2.70 0.06 0.00 0.04 0.00 0.00 34.50 31.88 1ths s PRO 198 CO 0.47 0.24 0.17 0.12 0.04 0.00 0.00 177.00 178.04 1ths s PHE 199 N -1.71 3.32 0.16 0.56 2.19 -0.64 -3.96 117.98 117.90 1ths s PHE 199 Ca 0.51 -1.56 0.06 0.00 0.33 0.00 0.00 56.93 56.27 1ths s PHE 199 Cb -0.17 -2.61 -0.04 0.00 -1.31 0.00 0.00 43.02 38.89 1ths s PHE 199 CO 0.21 -0.80 0.04 0.14 1.83 0.00 0.00 175.22 176.65 1ths s VAL 200 N 1.38 4.01 0.07 3.12 -7.23 -0.41 -0.85 120.40 120.49 1ths s VAL 200 Ca 0.01 -1.24 0.06 0.00 -1.81 0.00 0.00 61.98 59.00 1ths s VAL 200 Cb -0.21 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 33.69 1ths s VAL 200 CO 0.02 -0.07 -0.17 -0.04 -0.31 0.00 0.00 175.10 174.53 1ths s MET 201 N -2.88 1.00 -0.33 4.82 -1.94 0.38 -1.15 119.30 119.21 1ths s MET 201 Ca 0.28 -0.96 -0.11 0.00 -1.71 0.00 0.00 55.69 53.19 1ths s MET 201 Cb -0.10 -1.10 -0.01 0.00 2.01 0.00 0.00 34.83 35.63 1ths s MET 201 CO 0.20 0.26 0.20 0.21 -0.01 0.00 0.00 175.02 175.88 1ths s LYS 202 N -1.57 3.40 0.10 2.03 2.20 -1.26 -0.08 119.74 124.57 1ths s LYS 202 Ca 0.02 -0.69 -0.31 0.00 -0.36 0.00 0.00 55.97 54.63 1ths s LYS 202 Cb -0.09 -3.69 -0.07 0.00 -1.51 0.00 0.00 37.83 32.46 1ths s LYS 202 CO 0.02 -0.44 1.34 0.45 -0.36 0.00 0.00 175.35 176.37 1ths s SER 203 N 1.67 6.89 0.50 1.43 0.15 0.11 -4.92 113.70 119.52 1ths s SER 203 Ca 0.05 2.26 0.30 0.00 0.70 0.00 0.00 55.95 59.26 1ths s SER 203 Cb -0.17 -2.59 1.03 0.00 -1.71 0.00 0.00 66.02 62.59 1ths s SER 203 CO 0.08 -0.61 1.86 1.55 1.20 0.00 0.00 173.24 177.33 1ths h PRO 204 N 6.75 0.00 0.00 5.44 0.13 -1.97 0.12 132.00 142.48 1ths h PRO 204 Ca -0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1ths h PRO 204 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1ths h PRO 204 CO 0.85 0.00 -0.00 0.74 -0.23 0.00 0.00 178.00 179.36 1ths h PHE 204 N 0.00 -0.00 -0.07 1.56 0.04 -1.97 -3.41 116.94 113.09 1ths h PHE 204 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ths h PHE 204 Cb 0.66 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.81 1ths h PHE 204 CO 0.00 0.93 0.00 0.27 -0.60 0.00 0.00 178.31 178.91 1ths n ASN 204 N -4.63 1.82 -2.76 2.17 2.04 -1.25 -5.02 115.26 107.63 1ths n ASN 204 Ca -0.09 -1.52 -0.20 0.00 -0.44 0.00 0.00 54.58 52.32 1ths n ASN 204 Cb 0.45 -0.04 0.01 0.00 -2.53 0.00 0.00 39.78 37.66 1ths n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1ths n ASN 205 N 0.17 -5.29 -4.87 0.53 4.05 0.03 -4.99 115.26 104.88 1ths n ASN 205 Ca 0.04 -0.12 -0.34 0.00 0.45 0.00 0.00 54.58 54.61 1ths n ASN 205 Cb 0.21 -4.37 -0.06 0.00 1.23 0.00 0.00 39.78 36.80 1ths n ASN 205 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1ths s ARG 206 N -5.41 3.37 -0.12 1.20 0.52 -1.24 -4.83 118.95 112.44 1ths s ARG 206 Ca 0.16 -0.30 -0.19 0.00 -0.52 0.00 0.00 55.73 54.88 1ths s ARG 206 Cb -0.08 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.28 1ths s ARG 206 CO 0.20 0.70 0.52 -1.58 0.02 0.00 0.00 175.30 175.16 1ths s TRP 207 N -1.22 3.51 -0.04 -0.53 0.52 -1.26 0.07 118.94 119.99 1ths s TRP 207 Ca 0.23 0.94 0.06 0.00 0.02 0.00 0.00 56.10 57.36 1ths s TRP 207 Cb -0.12 -2.60 -0.01 0.00 -1.15 0.00 0.00 33.47 29.58 1ths s TRP 207 CO 0.14 0.14 -0.22 0.71 0.02 0.00 0.00 176.95 177.73 1ths s TYR 208 N 0.73 2.09 -0.49 -1.98 2.02 0.88 -2.01 117.35 118.60 1ths s TYR 208 Ca 0.28 -0.53 -0.19 0.00 -0.37 0.00 0.00 57.07 56.26 1ths s TYR 208 Cb -0.16 -1.37 0.05 0.00 -0.40 0.00 0.00 41.96 40.08 1ths s TYR 208 CO 0.12 -0.13 0.59 -1.14 -1.57 0.00 0.00 175.55 173.42 1ths s GLN 209 N -0.26 3.13 -0.13 -0.62 0.74 -0.81 0.14 119.66 121.86 1ths s GLN 209 Ca 0.01 -0.85 0.13 0.00 0.05 0.00 0.00 55.36 54.70 1ths s GLN 209 Cb -0.11 -4.07 -0.24 0.00 1.10 0.00 0.00 33.01 29.69 1ths s GLN 209 CO 0.02 -1.15 0.33 -1.33 -0.55 0.00 0.00 175.29 172.61 1ths n MET 210 N 6.07 0.67 -4.31 1.67 2.81 -0.03 -4.45 117.12 119.55 1ths n MET 210 Ca -0.06 0.16 -0.16 0.00 -1.81 0.00 0.00 57.70 55.82 1ths n MET 210 Cb 0.46 -1.65 -0.10 0.00 -0.71 0.00 0.00 33.22 31.21 1ths n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ths s GLY 211 N -5.40 1.45 -0.12 3.03 0.00 -0.94 -2.66 107.32 102.67 1ths s GLY 211 Ca -0.10 -1.71 0.02 0.00 0.00 0.00 0.00 44.72 42.93 1ths s GLY 211 CO 0.81 -1.63 -0.19 -0.42 0.00 0.00 0.00 173.10 171.66 1ths s ILE 212 N -3.46 1.79 -0.15 0.90 1.01 -1.02 -1.62 121.20 118.66 1ths s ILE 212 Ca 0.27 -0.82 -0.32 0.00 0.00 0.00 0.00 60.65 59.78 1ths s ILE 212 Cb 0.05 -1.60 -0.09 0.00 0.01 0.00 0.00 42.46 40.83 1ths s ILE 212 CO 0.07 0.50 2.07 0.52 0.00 0.00 0.00 174.94 178.10 1ths n VAL 213 N 4.08 0.47 -0.01 2.92 0.31 -0.54 -1.12 118.33 124.43 1ths n VAL 213 Ca -0.20 -0.26 -0.03 0.00 -0.01 0.00 0.00 64.34 63.85 1ths n VAL 213 Cb 0.51 -2.15 -0.01 0.00 -0.91 0.00 0.00 33.84 31.28 1ths n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ths n SER 214 N 9.06 1.10 -3.47 4.52 2.88 -0.51 -1.42 113.62 125.77 1ths n SER 214 Ca 0.28 0.17 -0.10 0.00 -1.33 0.00 0.00 58.87 57.88 1ths n SER 214 Cb 0.36 -0.45 -0.02 0.00 -0.75 0.00 0.00 64.21 63.34 1ths n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ths s TRP 215 N -2.04 -0.43 0.29 0.66 1.48 -0.70 -4.92 118.94 113.28 1ths s TRP 215 Ca -0.10 0.30 -0.20 0.00 -1.06 0.00 0.00 56.10 55.04 1ths s TRP 215 Cb 0.01 0.54 0.04 0.00 -1.16 0.00 0.00 33.47 32.91 1ths s TRP 215 CO 0.15 -0.66 0.81 0.20 -4.06 0.00 0.00 176.95 173.39 1ths s GLY 216 N -2.50 0.07 -0.33 3.67 0.00 -1.26 -0.89 107.32 106.08 1ths s GLY 216 Ca 0.03 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.36 1ths s GLY 216 CO -0.10 0.08 0.04 -0.54 0.00 0.00 0.00 173.10 172.59 1ths s GLU 217 N -3.09 1.79 0.48 2.90 2.02 -1.26 -4.98 118.70 116.56 1ths s GLU 217 Ca 0.14 -1.72 0.00 0.00 0.02 0.00 0.00 54.97 53.41 1ths s GLU 217 Cb -0.05 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1ths s GLU 217 CO 0.08 -0.87 0.00 0.41 0.02 0.00 0.00 175.26 174.90 1ths n GLY 219 N 4.38 -2.07 3.02 -1.39 0.00 -1.26 -4.72 105.19 103.14 1ths n GLY 219 Ca -0.02 -1.73 -0.20 0.00 0.00 0.00 0.00 46.02 44.07 1ths n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ths n ASP 221 N 3.18 -4.04 -4.73 0.00 2.03 -1.26 -4.70 116.55 107.02 1ths n ASP 221 Ca -0.17 0.30 -0.41 0.00 0.52 0.00 0.00 54.79 55.02 1ths n ASP 221 Cb 0.55 -3.62 -0.03 0.00 -0.72 0.00 0.00 41.12 37.29 1ths n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ths s ARG 221 N -3.78 4.46 0.45 -0.67 1.81 -1.26 -4.97 118.95 114.99 1ths s ARG 221 Ca 0.00 1.90 -0.25 0.00 -1.72 0.00 0.00 55.73 55.66 1ths s ARG 221 Cb 0.00 -3.25 -0.08 0.00 -0.45 0.00 0.00 34.95 31.17 1ths s ARG 221 CO 0.00 -0.16 1.35 -0.51 -0.68 0.00 0.00 175.30 175.29 1ths s ASP 222 N 0.37 5.95 -0.21 0.23 1.11 -1.26 -1.85 116.67 121.01 1ths s ASP 222 Ca 0.55 2.74 0.00 0.00 0.18 0.00 0.00 52.55 56.02 1ths s ASP 222 Cb -0.33 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.02 1ths s ASP 222 CO 0.35 -1.11 0.00 0.61 1.18 0.00 0.00 175.17 176.21 1ths n GLY 223 N 0.63 0.45 3.38 0.21 0.00 -1.26 -4.99 105.19 103.60 1ths n GLY 223 Ca 0.06 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1ths n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ths s LYS 224 N -1.31 1.42 0.14 1.61 1.02 -0.77 -4.81 119.74 117.04 1ths s LYS 224 Ca 0.00 -1.63 0.01 0.00 0.02 0.00 0.00 55.97 54.37 1ths s LYS 224 Cb 0.00 -1.31 -0.04 0.00 -0.52 0.00 0.00 37.83 35.96 1ths s LYS 224 CO 0.00 0.23 -0.01 0.71 -0.92 0.00 0.00 175.35 175.36 1ths s TYR 225 N -2.80 1.04 0.04 3.18 1.51 -1.26 -4.80 117.35 114.26 1ths s TYR 225 Ca 0.24 -1.03 -0.15 0.00 -1.01 0.00 0.00 57.07 55.12 1ths s TYR 225 Cb -0.02 -0.60 -0.06 0.00 -0.11 0.00 0.00 41.96 41.17 1ths s TYR 225 CO 0.09 -0.26 0.45 0.20 -1.11 0.00 0.00 175.55 174.92 1ths s GLY 226 N -3.11 2.50 -0.02 0.71 0.00 -0.68 -4.39 107.32 102.33 1ths s GLY 226 Ca 0.20 -0.18 0.04 0.00 0.00 0.00 0.00 44.72 44.78 1ths s GLY 226 CO 0.01 0.17 -0.13 -1.36 0.00 0.00 0.00 173.10 171.78 1ths s PHE 227 N -1.16 2.72 0.05 1.90 0.40 -0.07 0.71 117.98 122.53 1ths s PHE 227 Ca 0.27 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.49 1ths s PHE 227 Cb -0.17 -1.60 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 1ths s PHE 227 CO 0.15 0.24 -0.10 0.71 0.70 0.00 0.00 175.22 176.92 1ths s TYR 228 N -0.82 0.88 -0.02 0.36 1.51 0.46 -1.43 117.35 118.30 1ths s TYR 228 Ca 0.13 -0.48 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 1ths s TYR 228 Cb -0.11 -0.51 -0.05 0.00 -0.11 0.00 0.00 41.96 41.18 1ths s TYR 228 CO 0.03 -0.03 1.30 0.99 -1.11 0.00 0.00 175.55 176.73 1ths s THR 229 N -1.31 3.96 -0.85 -0.71 2.01 -0.28 -2.45 115.64 116.01 1ths s THR 229 Ca -0.07 1.33 -0.25 0.00 0.31 0.00 0.00 61.69 63.01 1ths s THR 229 Cb -0.10 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.58 1ths s THR 229 CO 0.01 0.01 1.52 -2.28 -0.69 0.00 0.00 174.62 173.19 1ths s HIS 230 N 2.18 2.22 0.20 4.92 2.46 -0.06 -2.42 115.29 124.79 1ths s HIS 230 Ca 0.60 -0.13 -0.11 0.00 0.47 0.00 0.00 55.06 55.88 1ths s HIS 230 Cb -0.28 -4.50 0.16 0.00 -0.13 0.00 0.00 32.58 27.83 1ths s HIS 230 CO 0.25 -2.01 1.83 0.28 -2.47 0.00 0.00 174.74 172.62 1ths h VAL 231 N 6.61 1.06 -0.73 0.89 2.07 -1.83 -2.74 116.25 121.58 1ths h VAL 231 Ca -0.04 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1ths h VAL 231 Cb 1.04 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1ths h VAL 231 CO 1.32 0.14 0.43 0.15 0.02 0.00 0.00 177.57 179.62 1ths h PHE 232 N 0.74 0.98 0.00 1.57 3.57 -1.88 -1.62 116.94 120.29 1ths h PHE 232 Ca 0.25 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1ths h PHE 232 Cb 0.04 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.46 1ths h PHE 232 CO -0.06 0.67 -0.02 0.00 -2.23 0.00 0.00 178.31 176.67 1ths h ARG 233 N 1.00 0.00 -0.49 1.11 3.08 -1.87 -2.14 114.38 115.07 1ths h ARG 233 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1ths h ARG 233 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1ths h ARG 233 CO -0.05 0.02 0.00 1.28 -1.07 0.00 0.00 179.97 180.15 1ths n LEU 234 N -3.27 4.20 -0.11 3.04 4.77 -0.64 -4.70 117.00 120.30 1ths n LEU 234 Ca -0.02 -2.50 0.02 0.00 -0.03 0.00 0.00 56.01 53.48 1ths n LEU 234 Cb 0.15 -0.50 0.32 0.00 -2.33 0.00 0.00 43.42 41.06 1ths n LEU 234 CO 0.24 0.76 1.19 0.50 -1.33 0.00 0.00 177.39 178.75 1ths h LYS 235 N 3.10 0.78 -0.27 3.23 3.64 -1.09 -2.48 116.57 123.48 1ths h LYS 235 Ca 0.00 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 1ths h LYS 235 Cb 1.32 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1ths h LYS 235 CO 0.19 0.53 -0.25 0.87 -2.27 0.00 0.00 179.45 178.52 1ths h LYS 236 N 0.80 0.65 -0.66 1.90 6.56 -1.84 0.11 116.57 124.09 1ths h LYS 236 Ca 0.21 -0.33 0.12 0.00 -1.06 0.00 0.00 60.65 59.59 1ths h LYS 236 Cb -0.06 0.01 -0.09 0.00 -0.57 0.00 0.00 32.23 31.52 1ths h LYS 236 CO -0.04 0.94 0.21 2.35 -2.06 0.00 0.00 179.45 180.84 1ths h TRP 237 N 0.37 0.35 0.43 -1.35 7.01 -1.81 0.59 115.95 121.54 1ths h TRP 237 Ca 0.05 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 1ths h TRP 237 Cb 0.81 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.82 1ths h TRP 237 CO 0.07 0.03 -0.21 0.82 -2.79 0.00 0.00 178.44 176.36 1ths h ILE 238 N 0.35 0.58 -0.64 2.65 2.04 -1.08 -2.06 117.51 119.35 1ths h ILE 238 Ca 0.35 -0.11 0.14 0.00 1.00 0.00 0.00 64.86 66.23 1ths h ILE 238 Cb 0.51 0.63 -0.11 0.00 -0.74 0.00 0.00 36.82 37.11 1ths h ILE 238 CO -0.38 0.02 -0.04 1.56 0.00 0.00 0.00 178.15 179.31 1ths h GLN 239 N -0.64 0.08 0.85 2.37 4.20 -0.03 -2.33 115.11 119.62 1ths h GLN 239 Ca -0.06 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1ths h GLN 239 Cb 0.48 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.25 1ths h GLN 239 CO 0.10 0.05 -0.41 -0.22 -0.67 0.00 0.00 178.83 177.68 1ths h LYS 240 N 0.08 -1.10 -0.63 1.46 1.63 0.25 -1.95 116.57 116.31 1ths h LYS 240 Ca 0.33 0.08 0.11 0.00 -0.85 0.00 0.00 60.65 60.32 1ths h LYS 240 Cb 0.54 0.25 -0.04 0.00 -0.60 0.00 0.00 32.23 32.38 1ths h LYS 240 CO -0.58 -0.73 0.42 -0.24 -3.45 0.00 0.00 179.45 174.87 1ths h VAL 241 N -1.21 0.86 -0.08 2.00 3.04 -0.99 0.08 116.25 119.95 1ths h VAL 241 Ca -0.12 -0.13 -0.14 0.00 -1.01 0.00 0.00 66.70 65.30 1ths h VAL 241 Cb 0.88 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 1ths h VAL 241 CO 0.19 0.07 -0.57 0.40 -1.01 0.00 0.00 177.57 176.65 1ths h ILE 242 N 0.38 1.37 0.13 3.17 2.04 -1.34 0.55 117.51 123.82 1ths h ILE 242 Ca 0.30 -1.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 1ths h ILE 242 Cb 0.65 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1ths h ILE 242 CO -0.08 0.56 -0.06 -0.78 0.00 0.00 0.00 178.15 177.79 1ths h ASP 243 N 0.19 -0.15 0.03 1.72 3.58 -0.36 -1.90 116.42 119.53 1ths h ASP 243 Ca -0.00 -0.35 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 1ths h ASP 243 Cb 1.06 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1ths h ASP 243 CO 0.09 0.31 -0.01 1.56 -2.88 0.00 0.00 179.24 178.30 1ths h GLN 244 N -0.65 -0.04 -0.37 0.28 7.50 -1.05 -3.39 115.11 117.40 1ths h GLN 244 Ca -0.02 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.13 1ths h GLN 244 Cb 0.49 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.03 1ths h GLN 244 CO 0.03 0.45 0.00 1.19 -1.50 0.00 0.00 178.83 179.00 1ths n PHE 245 N -4.87 1.02 0.00 2.96 3.72 0.18 -5.08 117.46 115.39 1ths n PHE 245 Ca -0.09 -0.74 0.00 0.00 -0.05 0.00 0.00 57.45 56.58 1ths n PHE 245 Cb 0.26 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 1ths n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ths n GLY 246 N 0.08 3.40 2.17 1.37 0.00 -0.71 -4.96 105.19 106.54 1ths n GLY 246 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ths n GLY 246 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48