#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2thf s VAL 17 N 0.00 5.39 -1.50 1.39 1.01 0.44 -4.26 120.40 122.87 2thf s VAL 17 Ca 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 2thf s VAL 17 Cb 0.00 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.95 2thf s VAL 17 CO 0.00 0.49 0.60 -0.62 0.00 0.00 0.00 175.10 175.56 2thf n GLU 18 N 3.11 -4.78 -1.32 2.72 -0.58 -1.26 -2.22 120.64 116.31 2thf n GLU 18 Ca -0.17 0.88 -0.03 0.00 -0.42 0.00 0.00 57.16 57.42 2thf n GLU 18 Cb 0.53 -5.67 0.01 0.00 -0.57 0.00 0.00 31.44 25.74 2thf n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2thf n GLY 19 N -1.51 2.02 3.40 0.62 0.00 -1.26 -4.69 105.19 103.77 2thf n GLY 19 Ca -0.11 -2.15 -0.20 0.00 0.00 0.00 0.00 46.02 43.57 2thf n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2thf s SER 20 N -1.50 2.21 0.06 1.61 1.04 0.02 -4.85 113.70 112.28 2thf s SER 20 Ca 0.08 -1.30 -0.31 0.00 0.48 0.00 0.00 55.95 54.91 2thf s SER 20 Cb -0.01 -0.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 2thf s SER 20 CO 0.05 -0.54 1.18 -1.81 0.98 0.00 0.00 173.24 173.10 2thf s ASP 21 N -3.42 7.10 0.33 7.02 1.01 -1.26 -0.66 116.67 126.79 2thf s ASP 21 Ca 0.33 1.99 -0.28 0.00 0.71 0.00 0.00 52.55 55.30 2thf s ASP 21 Cb 0.07 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.32 2thf s ASP 21 CO 0.13 -0.45 1.25 0.00 0.21 0.00 0.00 175.17 176.30 2thf s ALA 22 N 1.05 3.44 0.43 5.23 0.00 -0.31 -4.87 121.76 126.74 2thf s ALA 22 Ca 0.58 1.15 -0.21 0.00 0.00 0.00 0.00 51.96 53.48 2thf s ALA 22 Cb -0.29 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.29 2thf s ALA 22 CO 0.29 -0.53 0.97 -1.21 0.00 0.00 0.00 175.76 175.29 2thf s GLU 23 N -1.78 4.16 0.24 0.00 2.02 -1.26 -4.87 118.70 117.21 2thf s GLU 23 Ca 0.49 1.21 -0.31 0.00 0.02 0.00 0.00 54.97 56.38 2thf s GLU 23 Cb -0.37 -2.22 -0.13 0.00 0.10 0.00 0.00 34.13 31.50 2thf s GLU 23 CO 0.49 -0.10 1.43 -0.89 0.02 0.00 0.00 175.26 176.20 2thf n ILE 24 N -0.60 0.94 -0.92 -1.63 5.41 -1.26 -1.66 119.36 119.65 2thf n ILE 24 Ca 0.07 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.58 2thf n ILE 24 Cb 0.53 -1.52 0.00 0.00 -0.71 0.00 0.00 39.64 37.94 2thf n ILE 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2thf n GLY 25 N 2.17 0.72 0.16 7.39 0.00 -1.26 -4.89 105.19 109.48 2thf n GLY 25 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 2thf n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2thf h MET 26 N 2.09 0.00 -2.05 1.61 -1.53 -1.69 -3.35 114.93 110.01 2thf h MET 26 Ca 0.00 0.00 -0.52 0.00 -3.44 0.00 0.00 59.70 55.74 2thf h MET 26 Cb 0.04 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 30.69 2thf h MET 26 CO 0.00 0.52 -1.08 0.45 0.14 0.00 0.00 176.91 176.94 2thf n SER 27 N -3.82 1.28 0.12 1.39 2.88 -1.26 -4.97 113.62 109.23 2thf n SER 27 Ca -0.01 -3.04 0.08 0.00 -1.33 0.00 0.00 58.87 54.57 2thf n SER 27 Cb 0.55 -0.62 0.43 0.00 -0.75 0.00 0.00 64.21 63.81 2thf n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2thf n PRO 28 N 0.53 0.10 -0.05 -1.46 -0.04 -1.26 -0.89 135.00 131.93 2thf n PRO 28 Ca 0.25 0.60 0.12 0.00 -0.04 0.00 0.00 63.50 64.43 2thf n PRO 28 Cb 0.58 -1.83 0.39 0.00 -0.04 0.00 0.00 33.50 32.60 2thf n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2thf n TRP 29 N -2.05 0.13 -2.19 0.54 2.14 -0.94 -1.83 117.44 113.24 2thf n TRP 29 Ca -0.01 -0.07 -0.41 0.00 2.07 0.00 0.00 57.50 59.08 2thf n TRP 29 Cb 0.02 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.50 2thf n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2thf s GLN 30 N -1.87 4.37 0.04 -2.67 2.00 -0.07 -0.10 119.66 121.36 2thf s GLN 30 Ca 0.35 2.08 0.05 0.00 -2.00 0.00 0.00 55.36 55.83 2thf s GLN 30 Cb 0.20 -3.19 -0.02 0.00 0.80 0.00 0.00 33.01 30.80 2thf s GLN 30 CO 0.30 -0.28 -0.14 0.08 -0.50 0.00 0.00 175.29 174.75 2thf s VAL 31 N 0.16 1.09 -0.20 1.34 1.01 -0.59 -4.12 120.40 119.10 2thf s VAL 31 Ca 0.57 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 2thf s VAL 31 Cb -0.37 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.02 2thf s VAL 31 CO 0.38 0.01 -0.10 -0.04 0.00 0.00 0.00 175.10 175.35 2thf s MET 32 N -1.10 3.23 -0.35 2.72 -1.94 -0.19 -0.88 119.30 120.78 2thf s MET 32 Ca 0.01 -0.70 -0.19 0.00 -1.71 0.00 0.00 55.69 53.11 2thf s MET 32 Cb -0.08 -2.84 -0.00 0.00 2.01 0.00 0.00 34.83 33.92 2thf s MET 32 CO 0.01 -0.20 0.54 -1.17 -0.01 0.00 0.00 175.02 174.19 2thf s LEU 33 N 1.39 4.33 0.17 -0.03 2.96 -0.30 -1.19 118.68 126.01 2thf s LEU 33 Ca 0.05 0.00 0.07 0.00 -0.22 0.00 0.00 54.13 54.03 2thf s LEU 33 Cb -0.14 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 2thf s LEU 33 CO -0.07 -0.50 0.02 -0.36 -1.32 0.00 0.00 176.35 174.11 2thf s PHE 34 N 2.45 2.89 -0.03 5.38 0.08 -0.48 -0.21 117.98 128.06 2thf s PHE 34 Ca 0.20 -0.11 -0.23 0.00 0.12 0.00 0.00 56.93 56.91 2thf s PHE 34 Cb -0.15 -1.41 -0.04 0.00 -0.57 0.00 0.00 43.02 40.85 2thf s PHE 34 CO 0.14 0.51 0.67 0.50 -0.10 0.00 0.00 175.22 176.94 2thf s ARG 35 N -2.91 4.41 0.00 0.44 3.52 0.19 -2.35 118.95 122.26 2thf s ARG 35 Ca 0.28 0.85 -0.17 0.00 -0.13 0.00 0.00 55.73 56.55 2thf s ARG 35 Cb -0.10 -3.40 -0.09 0.00 -1.56 0.00 0.00 34.95 29.80 2thf s ARG 35 CO 0.19 0.19 0.93 0.87 -0.81 0.00 0.00 175.30 176.67 2thf h LYS 36 N 6.27 -0.60 -4.86 5.12 1.57 -1.27 -2.97 116.57 119.83 2thf h LYS 36 Ca -0.43 0.04 -0.67 0.00 -1.87 0.00 0.00 60.65 57.72 2thf h LYS 36 Cb 1.20 0.14 -0.37 0.00 0.08 0.00 0.00 32.23 33.27 2thf h LYS 36 CO 0.73 -0.40 -0.79 -1.12 -0.57 0.00 0.00 179.45 177.30 2thf s SER 36 N -3.80 4.48 0.73 0.86 0.01 -1.26 -2.65 113.70 112.08 2thf s SER 36 Ca -0.09 -1.43 -0.04 0.00 1.31 0.00 0.00 55.95 55.70 2thf s SER 36 Cb 0.01 -1.56 0.12 0.00 0.21 0.00 0.00 66.02 64.80 2thf s SER 36 CO 0.27 -0.20 1.02 -2.16 0.41 0.00 0.00 173.24 172.58 2thf s PRO 37 N 1.09 1.71 0.14 12.44 0.04 -1.26 -5.07 135.00 144.10 2thf s PRO 37 Ca -0.08 -0.84 -0.31 0.00 0.04 0.00 0.00 61.00 59.81 2thf s PRO 37 Cb -0.20 -2.26 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 2thf s PRO 37 CO -0.05 -1.46 1.56 -0.65 0.04 0.00 0.00 177.00 176.44 2thf s GLN 38 N -5.22 4.22 -0.29 4.56 -0.21 -1.08 -4.58 119.66 117.07 2thf s GLN 38 Ca 0.65 2.32 -0.15 0.00 0.02 0.00 0.00 55.36 58.20 2thf s GLN 38 Cb -0.07 -3.26 0.11 0.00 1.00 0.00 0.00 33.01 30.80 2thf s GLN 38 CO 0.45 -0.61 0.80 -2.00 -2.12 0.00 0.00 175.29 171.81 2thf s GLU 39 N 1.45 0.55 -0.14 2.91 2.12 -1.12 -4.95 118.70 119.52 2thf s GLU 39 Ca 0.70 1.03 -0.29 0.00 0.36 0.00 0.00 54.97 56.76 2thf s GLU 39 Cb -0.42 0.22 -0.02 0.00 0.26 0.00 0.00 34.13 34.17 2thf s GLU 39 CO 0.31 -0.13 1.28 -1.17 -0.54 0.00 0.00 175.26 175.01 2thf s LEU 40 N 1.74 4.21 -0.26 2.70 2.96 -1.26 0.56 118.68 129.32 2thf s LEU 40 Ca -0.09 1.75 -0.06 0.00 -0.22 0.00 0.00 54.13 55.51 2thf s LEU 40 Cb -0.05 -3.54 -0.15 0.00 0.50 0.00 0.00 46.19 42.94 2thf s LEU 40 CO -0.18 -0.74 -0.24 0.18 -1.32 0.00 0.00 176.35 174.05 2thf n LEU 41 N 6.41 2.51 0.00 -0.68 4.32 0.70 -4.93 117.00 125.33 2thf n LEU 41 Ca 0.14 0.09 -0.08 0.00 -0.02 0.00 0.00 56.01 56.14 2thf n LEU 41 Cb 0.45 -0.89 0.03 0.00 -1.62 0.00 0.00 43.42 41.39 2thf n LEU 41 CO 0.56 0.77 0.54 0.00 -1.22 0.00 0.00 177.39 178.03 2thf s GLY 43 N -3.00 1.80 0.11 0.00 0.00 0.09 -1.15 107.32 105.16 2thf s GLY 43 Ca 0.16 -2.01 -0.25 0.00 0.00 0.00 0.00 44.72 42.62 2thf s GLY 43 CO 0.11 -1.63 1.11 0.00 0.00 0.00 0.00 173.10 172.68 2thf s ALA 44 N -2.58 -1.87 0.01 3.20 0.00 -0.06 -3.72 121.76 116.75 2thf s ALA 44 Ca 0.60 -0.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.42 2thf s ALA 44 Cb -0.07 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.77 2thf s ALA 44 CO 0.37 -1.08 0.11 -1.54 0.00 0.00 0.00 175.76 173.63 2thf s SER 45 N -3.38 0.07 -0.26 0.00 1.04 -0.16 -1.54 113.70 109.48 2thf s SER 45 Ca 0.21 -0.29 -0.20 0.00 0.48 0.00 0.00 55.95 56.15 2thf s SER 45 Cb -0.01 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 2thf s SER 45 CO 0.03 -0.38 0.63 -0.22 0.98 0.00 0.00 173.24 174.27 2thf s LEU 46 N -1.50 4.07 0.00 2.42 2.96 0.86 -0.03 118.68 127.45 2thf s LEU 46 Ca -0.14 0.68 0.09 0.00 -0.22 0.00 0.00 54.13 54.54 2thf s LEU 46 Cb -0.07 -2.85 -0.07 0.00 0.50 0.00 0.00 46.19 43.69 2thf s LEU 46 CO 0.00 -0.38 0.42 2.30 -1.32 0.00 0.00 176.35 177.37 2thf n ILE 47 N 5.22 0.00 -3.87 6.68 -5.35 -0.65 -0.79 119.36 120.59 2thf n ILE 47 Ca -0.01 -0.32 -0.04 0.00 -0.27 0.00 0.00 62.75 62.11 2thf n ILE 47 Cb 0.49 1.02 0.02 0.00 -1.74 0.00 0.00 39.64 39.43 2thf n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2thf s SER 48 N -1.70 0.01 0.53 7.28 1.04 -1.12 -4.74 113.70 114.99 2thf s SER 48 Ca 0.04 -0.78 0.34 0.00 0.48 0.00 0.00 55.95 56.03 2thf s SER 48 Cb 0.07 0.57 1.48 0.00 0.10 0.00 0.00 66.02 68.24 2thf s SER 48 CO 0.33 -1.13 2.01 -2.24 0.98 0.00 0.00 173.24 173.18 2thf h ASP 49 N 2.00 0.00 0.00 7.02 2.03 -1.97 -3.24 116.42 122.26 2thf h ASP 49 Ca -0.29 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 2thf h ASP 49 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 2thf h ASP 49 CO 0.37 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 179.12 2thf n ARG 50 N -2.97 5.80 -4.81 4.15 1.74 -1.26 -1.38 116.66 117.93 2thf n ARG 50 Ca 0.00 -0.03 -0.33 0.00 -0.77 0.00 0.00 57.85 56.72 2thf n ARG 50 Cb 0.26 -0.49 -0.14 0.00 -1.02 0.00 0.00 32.46 31.07 2thf n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2thf s TRP 51 N -0.84 2.78 -0.06 -1.55 0.52 -1.22 0.56 118.94 119.12 2thf s TRP 51 Ca 0.00 -0.38 0.04 0.00 0.02 0.00 0.00 56.10 55.78 2thf s TRP 51 Cb 0.00 -1.74 0.00 0.00 -1.15 0.00 0.00 33.47 30.58 2thf s TRP 51 CO 0.00 -0.00 -0.18 0.08 0.02 0.00 0.00 176.95 176.87 2thf s VAL 52 N -0.19 1.54 0.00 4.03 1.01 -0.49 -1.64 120.40 124.67 2thf s VAL 52 Ca 0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 2thf s VAL 52 Cb -0.13 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2thf s VAL 52 CO 0.03 0.44 0.09 -0.22 0.00 0.00 0.00 175.10 175.44 2thf s LEU 53 N 0.26 3.92 0.00 3.92 2.96 0.96 -0.58 118.68 130.12 2thf s LEU 53 Ca -0.10 0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 53.91 2thf s LEU 53 Cb -0.14 -2.31 0.02 0.00 0.50 0.00 0.00 46.19 44.26 2thf s LEU 53 CO 0.04 0.27 0.29 1.07 -1.32 0.00 0.00 176.35 176.70 2thf n THR 54 N 1.12 0.00 -3.18 3.68 5.66 -0.53 -0.98 114.28 120.05 2thf n THR 54 Ca -0.13 -0.49 -0.39 0.00 -3.05 0.00 0.00 64.05 59.99 2thf n THR 54 Cb 0.53 0.42 -0.05 0.00 -1.55 0.00 0.00 70.33 69.67 2thf n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2thf s ALA 55 N -1.60 3.45 0.19 1.79 0.00 -1.26 -0.78 121.76 123.54 2thf s ALA 55 Ca 0.08 0.02 -0.14 0.00 0.00 0.00 0.00 51.96 51.93 2thf s ALA 55 Cb -0.02 -2.78 0.18 0.00 0.00 0.00 0.00 23.12 20.51 2thf s ALA 55 CO 0.06 0.08 1.68 0.00 0.00 0.00 0.00 175.76 177.58 2thf h ALA 56 N 6.06 0.45 0.00 0.00 0.00 -1.69 -1.11 119.26 122.96 2thf h ALA 56 Ca -0.44 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2thf h ALA 56 Cb 1.20 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2thf h ALA 56 CO 0.72 -0.40 0.03 1.12 0.00 0.00 0.00 179.25 180.73 2thf h HIS 57 N 0.10 0.00 0.00 0.00 2.07 -1.89 0.30 115.15 115.72 2thf h HIS 57 Ca 0.25 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.72 2thf h HIS 57 Cb 0.38 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.35 2thf h HIS 57 CO -0.33 0.00 -0.25 0.00 -3.07 0.00 0.00 177.93 174.29 2thf n LEU 59 N -3.48 1.69 -3.80 0.00 4.77 0.77 -4.94 117.00 112.01 2thf n LEU 59 Ca -0.00 -0.04 -0.26 0.00 -0.03 0.00 0.00 56.01 55.68 2thf n LEU 59 Cb 0.42 -0.14 -0.17 0.00 -2.33 0.00 0.00 43.42 41.19 2thf n LEU 59 CO 0.34 0.51 -0.39 -0.22 -1.33 0.00 0.00 177.39 176.29 2thf s LEU 60 N -5.29 1.04 0.13 2.23 2.96 0.35 -1.38 118.68 118.72 2thf s LEU 60 Ca -0.12 -0.45 -0.25 0.00 -0.22 0.00 0.00 54.13 53.09 2thf s LEU 60 Cb 0.04 -0.63 0.07 0.00 0.50 0.00 0.00 46.19 46.17 2thf s LEU 60 CO 0.34 -0.22 0.76 -0.47 -1.32 0.00 0.00 176.35 175.44 2thf s TYR 60 N 1.84 -0.37 0.00 5.38 5.04 0.63 -3.92 117.35 125.95 2thf s TYR 60 Ca 0.02 0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 2thf s TYR 60 Cb -0.14 0.59 0.00 0.00 0.35 0.00 0.00 41.96 42.75 2thf s TYR 60 CO -0.07 -0.81 0.00 -2.30 -1.34 0.00 0.00 175.55 171.03 2thf n PRO 60 N -0.36 0.00 -0.47 4.97 -0.02 -1.26 -1.41 135.00 136.45 2thf n PRO 60 Ca -0.11 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.45 2thf n PRO 60 Cb 0.62 0.00 0.27 0.00 -0.02 0.00 0.00 33.50 34.37 2thf n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2thf n TRP 60 N 0.00 1.02 -3.72 6.00 8.01 -1.26 -4.94 117.44 122.55 2thf n TRP 60 Ca 0.00 -0.84 -0.25 0.00 -1.31 0.00 0.00 57.50 55.11 2thf n TRP 60 Cb 0.00 -0.31 0.05 0.00 -2.01 0.00 0.00 31.31 29.04 2thf n TRP 60 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 2thf n ASP 60 N -0.32 -4.02 -4.26 -0.99 2.03 -1.17 -4.97 116.55 102.86 2thf n ASP 60 Ca 0.21 -0.70 -0.34 0.00 0.52 0.00 0.00 54.79 54.48 2thf n ASP 60 Cb 0.89 -4.40 -0.15 0.00 -0.72 0.00 0.00 41.12 36.74 2thf n ASP 60 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2thf s LYS 60 N -6.22 3.22 -0.38 -0.67 2.20 -0.50 -5.01 119.74 112.38 2thf s LYS 60 Ca 0.40 -0.73 -0.03 0.00 -0.36 0.00 0.00 55.97 55.25 2thf s LYS 60 Cb -0.19 -2.70 0.19 0.00 -1.51 0.00 0.00 37.83 33.62 2thf s LYS 60 CO 0.79 -0.06 0.93 1.21 -0.36 0.00 0.00 175.35 177.86 2thf s ASN 60 N 1.01 -0.72 0.63 1.43 3.04 -1.20 -0.27 114.94 118.86 2thf s ASN 60 Ca -0.01 -0.57 -0.04 0.00 0.04 0.00 0.00 52.86 52.27 2thf s ASN 60 Cb -0.15 0.93 0.04 0.00 -1.54 0.00 0.00 41.25 40.54 2thf s ASN 60 CO -0.03 -0.06 0.92 -0.36 -3.04 0.00 0.00 177.10 174.53 2thf s PHE 60 N 1.51 2.98 0.19 0.43 0.08 -0.48 -5.02 117.98 117.66 2thf s PHE 60 Ca 0.20 0.36 0.07 0.00 0.12 0.00 0.00 56.93 57.67 2thf s PHE 60 Cb 0.04 -2.96 -0.05 0.00 -0.57 0.00 0.00 43.02 39.49 2thf s PHE 60 CO -0.11 -1.11 -0.14 0.95 -0.10 0.00 0.00 175.22 174.71 2thf s THR 60 N -3.04 1.63 0.19 0.64 -4.23 -1.26 -4.96 115.64 104.60 2thf s THR 60 Ca 0.58 -2.12 -0.22 0.00 -1.18 0.00 0.00 61.69 58.75 2thf s THR 60 Cb -0.11 -1.95 0.12 0.00 1.34 0.00 0.00 72.50 71.91 2thf s THR 60 CO 0.43 -0.58 1.57 -0.33 -0.54 0.00 0.00 174.62 175.17 2thf h GLU 61 N 2.74 -0.13 -0.65 3.99 3.07 -1.93 0.36 114.58 122.03 2thf h GLU 61 Ca -0.38 0.01 0.19 0.00 -0.50 0.00 0.00 59.36 58.68 2thf h GLU 61 Cb 1.21 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.13 2thf h GLU 61 CO 0.60 -0.09 0.59 -0.91 -1.40 0.00 0.00 179.01 177.80 2thf h ASN 62 N -0.14 0.00 1.61 1.42 2.35 -1.96 -0.04 115.58 118.82 2thf h ASN 62 Ca 0.24 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2thf h ASN 62 Cb 0.56 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 2thf h ASN 62 CO -0.76 0.00 -0.05 0.44 -1.65 0.00 0.00 177.43 175.40 2thf h ASP 63 N 0.00 0.00 -2.54 5.81 3.32 -0.66 -3.47 116.42 118.87 2thf h ASP 63 Ca 0.31 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.82 2thf h ASP 63 Cb 1.49 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.91 2thf h ASP 63 CO -0.00 0.05 -0.58 -0.76 -1.72 0.00 0.00 179.24 176.23 2thf s LEU 64 N -6.26 2.35 0.22 1.55 1.43 -0.03 -0.79 118.68 117.15 2thf s LEU 64 Ca 0.05 -1.44 -0.09 0.00 -1.03 0.00 0.00 54.13 51.62 2thf s LEU 64 Cb 0.07 -0.51 -0.02 0.00 0.03 0.00 0.00 46.19 45.76 2thf s LEU 64 CO 0.64 -0.63 0.34 -1.48 0.23 0.00 0.00 176.35 175.45 2thf s LEU 65 N -3.60 0.66 0.04 1.79 2.34 -0.99 -4.24 118.68 114.68 2thf s LEU 65 Ca 0.31 -1.06 0.04 0.00 0.06 0.00 0.00 54.13 53.48 2thf s LEU 65 Cb 0.08 1.26 -0.02 0.00 -0.56 0.00 0.00 46.19 46.94 2thf s LEU 65 CO 0.15 -1.01 -0.12 -0.69 -1.06 0.00 0.00 176.35 173.61 2thf s VAL 66 N -4.06 0.97 -0.01 1.48 1.01 0.10 -1.38 120.40 118.52 2thf s VAL 66 Ca 0.27 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.31 2thf s VAL 66 Cb 0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 2thf s VAL 66 CO 0.09 -0.09 -0.24 -0.13 0.00 0.00 0.00 175.10 174.72 2thf s ARG 67 N -1.24 1.93 0.07 2.72 0.52 -0.33 -0.50 118.95 122.12 2thf s ARG 67 Ca -0.01 -0.88 0.04 0.00 -0.52 0.00 0.00 55.73 54.36 2thf s ARG 67 Cb -0.08 -1.89 -0.03 0.00 0.52 0.00 0.00 34.95 33.47 2thf s ARG 67 CO 0.01 0.52 -0.11 0.42 0.02 0.00 0.00 175.30 176.16 2thf s ILE 68 N -0.59 0.88 -1.57 1.52 1.01 0.37 -1.03 121.20 121.80 2thf s ILE 68 Ca 0.09 -1.29 0.00 0.00 0.00 0.00 0.00 60.65 59.45 2thf s ILE 68 Cb -0.09 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.41 2thf s ILE 68 CO -0.01 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.20 2thf n GLY 69 N 1.20 1.37 3.59 6.18 0.00 -1.26 -0.23 105.19 116.04 2thf n GLY 69 Ca -0.21 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 2thf n GLY 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2thf s LYS 70 N -3.42 3.83 0.02 1.61 2.20 -1.26 -3.46 119.74 119.26 2thf s LYS 70 Ca 0.00 0.26 0.22 0.00 -0.36 0.00 0.00 55.97 56.09 2thf s LYS 70 Cb 0.00 -3.76 -0.21 0.00 -1.51 0.00 0.00 37.83 32.35 2thf s LYS 70 CO 0.00 -0.65 0.71 0.72 -0.36 0.00 0.00 175.35 175.77 2thf n HIS 71 N 6.00 0.16 -4.21 4.03 8.25 -1.26 -4.93 115.22 123.26 2thf n HIS 71 Ca -0.00 0.05 -0.16 0.00 -0.26 0.00 0.00 57.72 57.34 2thf n HIS 71 Cb 0.49 -0.46 -0.14 0.00 1.12 0.00 0.00 29.99 31.00 2thf n HIS 71 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2thf s SER 72 N -4.26 0.81 0.20 0.41 0.15 -1.26 -4.44 113.70 105.31 2thf s SER 72 Ca -0.02 -0.19 0.17 0.00 0.70 0.00 0.00 55.95 56.61 2thf s SER 72 Cb 0.14 -0.07 -0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2thf s SER 72 CO 0.87 0.04 1.16 0.03 1.20 0.00 0.00 173.24 176.54 2thf h ARG 73 N 5.75 0.00 0.03 5.44 3.08 -1.89 -3.38 114.38 123.40 2thf h ARG 73 Ca -0.30 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.48 2thf h ARG 73 Cb 1.19 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 2thf h ARG 73 CO 0.49 0.32 -1.45 0.25 -1.07 0.00 0.00 179.97 178.50 2thf n THR 74 N -3.02 1.59 -2.64 2.04 -2.24 -1.26 -4.98 114.28 103.77 2thf n THR 74 Ca -0.03 -0.16 -0.23 0.00 -2.27 0.00 0.00 64.05 61.36 2thf n THR 74 Cb 0.74 -1.98 0.03 0.00 -2.10 0.00 0.00 70.33 67.03 2thf n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2thf s ARG 75 N -2.41 2.67 -0.70 -0.78 3.03 -1.26 -5.07 118.95 114.43 2thf s ARG 75 Ca -0.28 -0.55 0.04 0.00 2.03 0.00 0.00 55.73 56.97 2thf s ARG 75 Cb 0.06 -2.44 0.17 0.00 -1.03 0.00 0.00 34.95 31.72 2thf s ARG 75 CO 0.62 -0.67 0.50 -0.47 -1.13 0.00 0.00 175.30 174.16 2thf s TYR 76 N -2.80 3.56 -0.86 5.89 5.04 -1.26 -4.59 117.35 122.33 2thf s TYR 76 Ca 0.55 -3.25 -0.22 0.00 -2.44 0.00 0.00 57.07 51.71 2thf s TYR 76 Cb -0.10 -2.83 -0.19 0.00 0.35 0.00 0.00 41.96 39.19 2thf s TYR 76 CO 0.40 -0.61 2.07 0.39 -1.34 0.00 0.00 175.55 176.46 2thf n GLU 77 N 2.24 0.21 -0.10 4.97 1.02 -1.26 -4.76 120.64 122.96 2thf n GLU 77 Ca 0.17 -1.13 -0.03 0.00 -0.02 0.00 0.00 57.16 56.16 2thf n GLU 77 Cb 0.35 -3.31 -0.02 0.00 -0.02 0.00 0.00 31.44 28.43 2thf n GLU 77 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2thf n ARG 77 N 7.70 -0.11 -0.37 3.49 3.00 -1.26 -1.13 116.66 127.99 2thf n ARG 77 Ca 0.40 0.89 0.05 0.00 -0.01 0.00 0.00 57.85 59.18 2thf n ARG 77 Cb 0.44 -1.33 0.20 0.00 0.00 0.00 0.00 32.46 31.77 2thf n ARG 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2thf n ASN 78 N -3.45 2.97 -0.03 0.55 5.03 -1.26 -4.32 115.26 114.74 2thf n ASN 78 Ca 0.00 -2.30 -0.03 0.00 0.87 0.00 0.00 54.58 53.13 2thf n ASN 78 Cb 0.06 -0.46 -0.01 0.00 -1.02 0.00 0.00 39.78 38.35 2thf n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2thf n ILE 79 N 0.47 0.69 -1.87 2.41 2.08 -0.28 -5.04 119.36 117.82 2thf n ILE 79 Ca 0.14 0.30 -0.32 0.00 0.56 0.00 0.00 62.75 63.43 2thf n ILE 79 Cb 0.59 -1.77 0.02 0.00 -0.75 0.00 0.00 39.64 37.73 2thf n ILE 79 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2thf s GLU 80 N -1.82 3.28 0.03 0.38 -1.05 -0.37 -4.73 118.70 114.43 2thf s GLU 80 Ca -0.11 1.01 0.05 0.00 -0.15 0.00 0.00 54.97 55.77 2thf s GLU 80 Cb 0.01 -2.03 -0.02 0.00 -0.44 0.00 0.00 34.13 31.65 2thf s GLU 80 CO 0.16 -0.83 -0.14 0.15 0.95 0.00 0.00 175.26 175.55 2thf s LYS 81 N -4.61 0.97 -0.15 -4.83 3.01 0.68 -4.91 119.74 109.89 2thf s LYS 81 Ca 0.60 -0.74 0.01 0.00 -1.01 0.00 0.00 55.97 54.82 2thf s LYS 81 Cb -0.14 -0.98 -0.00 0.00 -1.01 0.00 0.00 37.83 35.71 2thf s LYS 81 CO 0.46 0.24 -0.16 0.42 0.51 0.00 0.00 175.35 176.82 2thf s ILE 82 N -0.80 2.56 0.03 2.17 1.01 -1.26 -0.47 121.20 124.45 2thf s ILE 82 Ca 0.02 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 59.93 2thf s ILE 82 Cb -0.08 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 2thf s ILE 82 CO 0.01 0.52 -0.20 -0.44 0.00 0.00 0.00 174.94 174.83 2thf s SER 83 N 0.80 2.36 0.38 3.58 0.01 0.35 -4.98 113.70 116.20 2thf s SER 83 Ca -0.06 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.73 2thf s SER 83 Cb -0.15 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 65.86 2thf s SER 83 CO -0.00 0.16 0.58 -0.04 0.41 0.00 0.00 173.24 174.35 2thf s MET 84 N -1.05 3.25 0.11 12.44 -1.94 -1.26 -0.72 119.30 130.12 2thf s MET 84 Ca 0.07 -0.52 -0.03 0.00 -1.71 0.00 0.00 55.69 53.50 2thf s MET 84 Cb -0.08 -2.65 -0.05 0.00 2.01 0.00 0.00 34.83 34.05 2thf s MET 84 CO 0.01 -0.03 0.31 -0.51 -0.01 0.00 0.00 175.02 174.79 2thf s LEU 85 N -4.38 4.31 -0.09 -0.03 1.43 -1.26 -1.36 118.68 117.29 2thf s LEU 85 Ca 0.44 0.46 0.10 0.00 -1.03 0.00 0.00 54.13 54.10 2thf s LEU 85 Cb -0.10 -3.16 -0.14 0.00 0.03 0.00 0.00 46.19 42.82 2thf s LEU 85 CO 0.36 0.10 0.07 1.21 0.23 0.00 0.00 176.35 178.32 2thf n GLU 86 N 0.18 1.98 -3.62 1.70 2.13 0.98 -4.58 120.64 119.41 2thf n GLU 86 Ca -0.03 -0.02 -0.11 0.00 0.66 0.00 0.00 57.16 57.65 2thf n GLU 86 Cb 0.51 -1.28 -0.07 0.00 0.27 0.00 0.00 31.44 30.88 2thf n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2thf s LYS 87 N -2.34 0.63 -0.04 5.31 2.47 -1.20 -4.99 119.74 119.59 2thf s LYS 87 Ca -0.05 0.60 0.02 0.00 -1.56 0.00 0.00 55.97 54.98 2thf s LYS 87 Cb 0.04 0.30 -0.03 0.00 -1.46 0.00 0.00 37.83 36.68 2thf s LYS 87 CO 0.45 -0.11 -0.07 0.42 0.16 0.00 0.00 175.35 176.20 2thf s ILE 88 N -0.03 3.66 -0.10 5.43 1.01 -1.26 -1.30 121.20 128.62 2thf s ILE 88 Ca 0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 2thf s ILE 88 Cb -0.04 -2.53 0.03 0.00 0.01 0.00 0.00 42.46 39.92 2thf s ILE 88 CO -0.02 0.51 -0.04 -0.31 0.00 0.00 0.00 174.94 175.08 2thf s TYR 89 N -0.89 1.15 -0.13 3.97 1.51 0.86 -4.99 117.35 118.85 2thf s TYR 89 Ca 0.14 -0.51 -0.02 0.00 -1.01 0.00 0.00 57.07 55.67 2thf s TYR 89 Cb -0.11 -1.06 -0.03 0.00 -0.11 0.00 0.00 41.96 40.65 2thf s TYR 89 CO 0.04 -0.44 -0.04 0.42 -1.11 0.00 0.00 175.55 174.42 2thf s ILE 90 N 1.81 3.86 0.12 2.71 1.01 -1.26 0.30 121.20 129.74 2thf s ILE 90 Ca 0.05 -0.39 -0.35 0.00 0.00 0.00 0.00 60.65 59.96 2thf s ILE 90 Cb -0.12 -2.66 -0.16 0.00 0.01 0.00 0.00 42.46 39.53 2thf s ILE 90 CO -0.07 0.53 1.25 1.57 0.00 0.00 0.00 174.94 178.22 2thf n HIS 91 N 3.06 1.38 -0.14 3.97 -0.00 -0.98 -4.84 115.22 117.68 2thf n HIS 91 Ca -0.18 0.67 0.13 0.00 -0.00 0.00 0.00 57.72 58.35 2thf n HIS 91 Cb 0.53 -2.30 0.49 0.00 -0.00 0.00 0.00 29.99 28.70 2thf n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2thf h PRO 92 N 3.99 0.44 -0.69 1.57 0.13 -1.94 -2.52 132.00 132.97 2thf h PRO 92 Ca -0.46 -0.03 -0.32 0.00 -0.87 0.00 0.00 66.00 64.33 2thf h PRO 92 Cb 1.34 -0.10 -0.19 0.00 0.13 0.00 0.00 31.00 32.18 2thf h PRO 92 CO 0.74 0.29 0.30 0.54 -0.23 0.00 0.00 178.00 179.64 2thf n ARG 93 N -4.48 2.41 -1.83 0.86 1.74 -1.26 -4.98 116.66 109.12 2thf n ARG 93 Ca 0.12 -3.08 -0.42 0.00 -0.77 0.00 0.00 57.85 53.71 2thf n ARG 93 Cb 0.44 -2.04 -0.03 0.00 -1.02 0.00 0.00 32.46 29.81 2thf n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2thf s TYR 94 N -3.20 1.87 -1.02 -1.55 5.04 -0.95 -4.70 117.35 112.83 2thf s TYR 94 Ca 0.52 -0.03 -0.07 0.00 -2.44 0.00 0.00 57.07 55.04 2thf s TYR 94 Cb 0.44 -4.08 0.25 0.00 0.35 0.00 0.00 41.96 38.93 2thf s TYR 94 CO 0.07 -4.59 0.97 1.21 -1.34 0.00 0.00 175.55 171.88 2thf s ASN 95 N 3.41 6.84 0.50 4.32 3.84 0.43 -4.85 114.94 129.42 2thf s ASN 95 Ca 0.80 -3.57 0.29 0.00 0.21 0.00 0.00 52.86 50.58 2thf s ASN 95 Cb -0.40 -2.11 0.98 0.00 -0.55 0.00 0.00 41.25 39.17 2thf s ASN 95 CO 0.35 -0.27 1.84 4.11 -2.79 0.00 0.00 177.10 180.34 2thf h TRP 96 N 6.53 0.00 -0.42 0.43 5.08 -1.92 0.68 115.95 126.33 2thf h TRP 96 Ca 0.16 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.08 2thf h TRP 96 Cb 0.87 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.01 2thf h TRP 96 CO 0.76 0.05 0.05 0.00 -1.28 0.00 0.00 178.44 178.01 2thf h ARG 97 N 0.00 0.71 0.00 0.12 3.08 -1.99 -3.43 114.38 112.87 2thf h ARG 97 Ca -0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2thf h ARG 97 Cb 0.71 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2thf h ARG 97 CO 0.01 0.76 0.00 -1.91 -1.07 0.00 0.00 179.97 177.76 2thf n GLU 97 N -4.47 0.00 -0.01 0.04 2.13 -1.21 -4.96 120.64 112.16 2thf n GLU 97 Ca -0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.82 2thf n GLU 97 Cb 0.26 -0.05 0.01 0.00 0.27 0.00 0.00 31.44 31.93 2thf n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2thf n ASN 98 N -1.58 1.74 -0.94 4.31 0.23 -1.22 -4.93 115.26 112.86 2thf n ASN 98 Ca 0.00 -1.67 -0.09 0.00 -0.53 0.00 0.00 54.58 52.29 2thf n ASN 98 Cb 0.00 -0.01 -0.02 0.00 -2.08 0.00 0.00 39.78 37.67 2thf n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2thf n LEU 99 N -0.24 -1.17 -4.71 -4.53 4.32 0.23 -4.95 117.00 105.95 2thf n LEU 99 Ca 0.01 0.07 -0.43 0.00 -0.02 0.00 0.00 56.01 55.64 2thf n LEU 99 Cb 0.18 -1.58 -0.02 0.00 -1.62 0.00 0.00 43.42 40.38 2thf n LEU 99 CO 0.01 -0.23 1.16 -0.67 -1.22 0.00 0.00 177.39 176.43 2thf n ASP 100 N 0.31 3.37 -3.44 -1.43 2.03 -1.23 -2.18 116.55 113.97 2thf n ASP 100 Ca -0.10 1.13 -0.18 0.00 0.52 0.00 0.00 54.79 56.16 2thf n ASP 100 Cb 0.49 -1.51 0.09 0.00 -0.72 0.00 0.00 41.12 39.46 2thf n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2thf n ARG 101 N 2.31 -6.75 -2.50 -0.67 1.74 -1.26 -0.43 116.66 109.11 2thf n ARG 101 Ca 0.11 0.85 -0.40 0.00 -0.77 0.00 0.00 57.85 57.63 2thf n ARG 101 Cb 0.34 -5.87 -0.01 0.00 -1.02 0.00 0.00 32.46 25.90 2thf n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2thf s ASP 102 N -4.27 6.53 -0.11 0.55 2.15 -0.93 -4.36 116.67 116.23 2thf s ASP 102 Ca 0.05 -2.28 -0.14 0.00 0.43 0.00 0.00 52.55 50.62 2thf s ASP 102 Cb -0.02 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 40.05 2thf s ASP 102 CO 0.73 -1.50 0.36 -0.51 -0.17 0.00 0.00 175.17 174.09 2thf s ILE 103 N 5.37 0.01 0.05 4.11 2.07 -1.26 -3.68 121.20 127.87 2thf s ILE 103 Ca 0.56 -0.11 -0.11 0.00 -1.41 0.00 0.00 60.65 59.58 2thf s ILE 103 Cb 0.03 -0.55 0.01 0.00 0.13 0.00 0.00 42.46 42.08 2thf s ILE 103 CO 0.08 -0.06 0.24 0.00 -1.91 0.00 0.00 174.94 173.29 2thf s ALA 104 N -0.19 -0.49 0.02 1.50 0.00 0.04 -2.31 121.76 120.32 2thf s ALA 104 Ca -0.03 -0.19 0.08 0.00 0.00 0.00 0.00 51.96 51.82 2thf s ALA 104 Cb -0.03 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 2thf s ALA 104 CO 0.02 -0.40 -0.25 -0.51 0.00 0.00 0.00 175.76 174.62 2thf s LEU 105 N -2.16 2.11 -0.14 0.00 1.43 0.15 -1.45 118.68 118.62 2thf s LEU 105 Ca -0.04 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2thf s LEU 105 Cb -0.00 -1.24 0.03 0.00 0.03 0.00 0.00 46.19 45.00 2thf s LEU 105 CO -0.04 0.27 -0.10 -0.04 0.23 0.00 0.00 176.35 176.67 2thf s MET 106 N -0.93 1.80 -0.17 1.70 -1.94 0.25 -0.10 119.30 119.92 2thf s MET 106 Ca 0.10 -0.43 -0.20 0.00 -1.71 0.00 0.00 55.69 53.44 2thf s MET 106 Cb -0.10 -1.88 -0.03 0.00 2.01 0.00 0.00 34.83 34.83 2thf s MET 106 CO 0.01 -0.29 0.60 0.21 -0.01 0.00 0.00 175.02 175.53 2thf s LYS 107 N 1.60 4.26 0.35 2.03 2.20 -0.42 -1.40 119.74 128.36 2thf s LYS 107 Ca 0.04 0.59 -0.27 0.00 -0.36 0.00 0.00 55.97 55.96 2thf s LYS 107 Cb -0.13 -3.54 -0.09 0.00 -1.51 0.00 0.00 37.83 32.56 2thf s LYS 107 CO -0.09 -0.13 1.19 -0.51 -0.36 0.00 0.00 175.35 175.46 2thf s LEU 108 N 1.53 4.37 0.13 5.43 1.43 0.19 -0.01 118.68 131.75 2thf s LEU 108 Ca 0.29 2.43 -0.20 0.00 -1.03 0.00 0.00 54.13 55.62 2thf s LEU 108 Cb -0.16 -3.80 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 2thf s LEU 108 CO 0.11 -0.48 1.69 0.07 0.23 0.00 0.00 176.35 177.97 2thf h LYS 109 N 3.19 -0.04 -5.42 1.70 5.09 -1.46 -3.42 116.57 116.21 2thf h LYS 109 Ca -0.48 0.00 -0.44 0.00 0.09 0.00 0.00 60.65 59.82 2thf h LYS 109 Cb 1.23 0.01 -0.23 0.00 0.10 0.00 0.00 32.23 33.34 2thf h LYS 109 CO 0.65 -0.03 -0.79 -1.59 -2.09 0.00 0.00 179.45 175.60 2thf s LYS 110 N -6.19 0.89 0.64 0.07 0.00 -1.26 -4.96 119.74 108.92 2thf s LYS 110 Ca -0.14 -0.91 -0.18 0.00 0.00 0.00 0.00 55.97 54.75 2thf s LYS 110 Cb 0.10 -0.92 -0.02 0.00 0.00 0.00 0.00 37.83 36.99 2thf s LYS 110 CO 0.68 0.21 1.22 -0.35 0.00 0.00 0.00 175.35 177.12 2thf n PRO 111 N 1.48 1.08 -3.93 1.78 -0.04 -1.26 -4.88 135.00 129.22 2thf n PRO 111 Ca -0.20 0.42 -0.28 0.00 -0.04 0.00 0.00 63.50 63.40 2thf n PRO 111 Cb 0.54 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.52 2thf n PRO 111 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2thf s VAL 112 N -1.41 5.35 -0.19 0.52 0.11 -0.48 -5.02 120.40 119.28 2thf s VAL 112 Ca 0.81 -0.56 -0.14 0.00 -2.93 0.00 0.00 61.98 59.16 2thf s VAL 112 Cb -0.39 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 30.72 2thf s VAL 112 CO 0.42 -0.00 0.30 0.00 -3.33 0.00 0.00 175.10 172.49 2thf s ALA 113 N -1.65 3.58 0.55 1.54 0.00 -1.26 -4.83 121.76 119.69 2thf s ALA 113 Ca 0.35 -0.57 -0.20 0.00 0.00 0.00 0.00 51.96 51.54 2thf s ALA 113 Cb -0.12 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 2thf s ALA 113 CO 0.28 -0.11 1.20 -0.06 0.00 0.00 0.00 175.76 177.07 2thf s PHE 114 N 0.90 2.52 0.00 0.00 0.08 -1.26 -4.86 117.98 115.36 2thf s PHE 114 Ca 0.16 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.72 2thf s PHE 114 Cb -0.14 -3.45 0.00 0.00 -0.57 0.00 0.00 43.02 38.86 2thf s PHE 114 CO 0.05 -2.01 0.00 -1.13 -0.10 0.00 0.00 175.22 172.03 2thf n SER 115 N -1.28 0.00 0.24 1.36 3.41 0.23 -4.94 113.62 112.64 2thf n SER 115 Ca 0.12 -0.68 0.12 0.00 -0.26 0.00 0.00 58.87 58.16 2thf n SER 115 Cb 0.49 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 64.96 2thf n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2thf h ASP 116 N 0.00 0.00 -0.00 4.04 5.19 -1.99 -3.10 116.42 120.56 2thf h ASP 116 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2thf h ASP 116 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2thf h ASP 116 CO 0.00 0.17 -0.62 -1.22 -3.12 0.00 0.00 179.24 174.45 2thf n TYR 117 N -3.34 0.00 -3.85 4.55 4.01 -1.26 -4.77 117.16 112.51 2thf n TYR 117 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 2thf n TYR 117 Cb 0.40 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.26 2thf n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2thf s ILE 118 N -2.33 0.22 -0.09 -0.72 1.01 -1.17 -4.25 121.20 113.87 2thf s ILE 118 Ca 0.09 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.58 2thf s ILE 118 Cb 0.13 -0.37 0.08 0.00 0.01 0.00 0.00 42.46 42.32 2thf s ILE 118 CO 0.58 0.20 0.77 -1.00 0.00 0.00 0.00 174.94 175.48 2thf s HIS 119 N 1.56 -0.59 0.48 3.97 3.76 -0.76 -0.60 115.29 123.11 2thf s HIS 119 Ca -0.02 1.06 -0.15 0.00 -0.15 0.00 0.00 55.06 55.80 2thf s HIS 119 Cb -0.13 0.41 -0.07 0.00 1.11 0.00 0.00 32.58 33.90 2thf s HIS 119 CO -0.03 -0.52 0.92 -1.25 -0.85 0.00 0.00 174.74 173.01 2thf s PRO 120 N -1.04 3.89 0.18 8.40 0.04 -1.26 -2.20 135.00 143.01 2thf s PRO 120 Ca -0.08 0.81 -0.08 0.00 0.04 0.00 0.00 61.00 61.69 2thf s PRO 120 Cb -0.01 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 2thf s PRO 120 CO 0.07 -0.20 0.46 0.54 0.04 0.00 0.00 177.00 177.91 2thf s VAL 121 N -2.55 5.04 0.34 -0.36 0.11 0.03 -4.89 120.40 118.12 2thf s VAL 121 Ca 0.57 0.28 -0.20 0.00 -2.93 0.00 0.00 61.98 59.69 2thf s VAL 121 Cb -0.10 -3.62 -0.10 0.00 -1.53 0.00 0.00 36.38 31.03 2thf s VAL 121 CO 0.32 0.00 0.85 0.00 -3.33 0.00 0.00 175.10 172.94 2thf s LEU 123 N -2.69 4.45 0.36 0.00 1.02 -1.26 -0.53 118.68 120.03 2thf s LEU 123 Ca 0.54 1.08 -0.28 0.00 0.02 0.00 0.00 54.13 55.49 2thf s LEU 123 Cb -0.13 -2.88 -0.10 0.00 0.02 0.00 0.00 46.19 43.10 2thf s LEU 123 CO 0.18 0.25 1.38 -2.16 0.02 0.00 0.00 176.35 176.01 2thf s PRO 124 N -1.35 4.22 0.49 1.29 0.04 -1.26 -4.91 135.00 133.53 2thf s PRO 124 Ca 0.29 2.35 0.06 0.00 0.04 0.00 0.00 61.00 63.75 2thf s PRO 124 Cb -0.17 -3.00 0.03 0.00 0.04 0.00 0.00 34.50 31.40 2thf s PRO 124 CO 0.17 -0.35 0.68 0.16 0.04 0.00 0.00 177.00 177.70 2thf s ASP 125 N -0.37 5.40 0.20 6.66 1.47 -1.26 -4.89 116.67 123.88 2thf s ASP 125 Ca 0.51 -0.36 -0.12 0.00 1.18 0.00 0.00 52.55 53.76 2thf s ASP 125 Cb -0.42 -0.56 0.23 0.00 -0.34 0.00 0.00 42.92 41.82 2thf s ASP 125 CO 0.57 -1.01 1.68 -0.09 0.68 0.00 0.00 175.17 177.01 2thf h ARG 126 N 0.35 0.14 0.00 2.11 2.43 -1.98 -2.98 114.38 114.45 2thf h ARG 126 Ca -0.39 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 58.57 2thf h ARG 126 Cb 1.29 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 2thf h ARG 126 CO 0.46 0.09 -0.97 1.49 -1.51 0.00 0.00 179.97 179.54 2thf h GLU 127 N 0.15 0.00 -0.69 0.20 4.57 -2.03 -1.77 114.58 115.00 2thf h GLU 127 Ca 0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 2thf h GLU 127 Cb 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 2thf h GLU 127 CO -0.43 0.97 0.00 2.41 -1.18 0.00 0.00 179.01 180.78 2thf n THR 128 N -3.39 0.03 0.00 0.32 -1.04 -1.13 -1.47 114.28 107.60 2thf n THR 128 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2thf n THR 128 Cb 0.91 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 69.22 2thf n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2thf n ALA 129 N 0.62 0.00 0.04 2.41 0.00 -0.67 -1.19 120.51 121.72 2thf n ALA 129 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2thf n ALA 129 Cb 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.34 2thf n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2thf h SER 129 N 0.00 0.49 1.03 0.00 4.64 -1.54 -3.40 113.55 114.77 2thf h SER 129 Ca 0.00 -0.91 -0.15 0.00 -0.47 0.00 0.00 61.79 60.26 2thf h SER 129 Cb 0.00 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 2thf h SER 129 CO 0.00 1.80 -1.03 -0.07 -0.87 0.00 0.00 176.83 176.65 2thf h LEU 129 N 0.09 0.00 -7.86 5.97 3.38 -1.41 -3.41 115.31 112.07 2thf h LEU 129 Ca -0.38 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.90 2thf h LEU 129 Cb 2.06 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.71 2thf h LEU 129 CO 0.13 0.61 1.95 -0.76 0.09 0.00 0.00 178.44 180.46 2thf s LEU 130 N -6.16 4.07 -0.01 1.67 1.43 -1.26 -4.87 118.68 113.56 2thf s LEU 130 Ca 0.00 -2.46 0.00 0.00 -1.03 0.00 0.00 54.13 50.65 2thf s LEU 130 Cb 0.08 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.78 2thf s LEU 130 CO 0.79 -1.11 -0.01 -1.10 0.23 0.00 0.00 176.35 175.15 2thf s GLN 131 N 3.74 0.17 0.37 1.70 -1.52 -1.26 -4.96 119.66 117.89 2thf s GLN 131 Ca 0.51 0.02 -0.28 0.00 -1.95 0.00 0.00 55.36 53.65 2thf s GLN 131 Cb 0.02 -0.27 -0.11 0.00 -0.22 0.00 0.00 33.01 32.43 2thf s GLN 131 CO 0.04 -0.05 1.45 0.00 -0.25 0.00 0.00 175.29 176.49 2thf n ALA 132 N 3.55 2.16 0.00 6.09 0.00 -1.26 -1.62 120.51 129.44 2thf n ALA 132 Ca -0.19 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2thf n ALA 132 Cb 0.55 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.61 2thf n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2thf n GLY 133 N 0.59 3.02 3.76 0.00 0.00 0.43 -4.91 105.19 108.07 2thf n GLY 133 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2thf n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2thf s TYR 134 N -2.83 3.51 -0.07 1.61 1.51 -0.64 -4.66 117.35 115.78 2thf s TYR 134 Ca 0.00 1.64 -0.06 0.00 -1.01 0.00 0.00 57.07 57.64 2thf s TYR 134 Cb 0.00 -3.34 -0.04 0.00 -0.11 0.00 0.00 41.96 38.47 2thf s TYR 134 CO 0.00 -0.76 0.17 0.15 -1.11 0.00 0.00 175.55 174.01 2thf s LYS 135 N -1.34 3.47 0.53 -0.62 1.02 -1.26 -0.52 119.74 121.01 2thf s LYS 135 Ca 0.46 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.28 2thf s LYS 135 Cb -0.33 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 2thf s LYS 135 CO 0.42 0.73 0.02 0.20 -0.92 0.00 0.00 175.35 175.79 2thf s GLY 136 N -1.41 3.10 -0.07 -3.33 0.00 -0.46 -4.85 107.32 100.31 2thf s GLY 136 Ca 0.21 -0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.88 2thf s GLY 136 CO 0.10 -2.21 -0.13 -1.60 0.00 0.00 0.00 173.10 169.26 2thf s ARG 137 N -3.92 1.81 -0.09 2.90 3.52 0.18 -1.42 118.95 121.93 2thf s ARG 137 Ca 0.02 -0.45 0.01 0.00 -0.13 0.00 0.00 55.73 55.18 2thf s ARG 137 Cb 0.00 -1.48 -0.02 0.00 -1.56 0.00 0.00 34.95 31.89 2thf s ARG 137 CO 0.01 0.04 -0.13 0.08 -0.81 0.00 0.00 175.30 174.49 2thf s VAL 138 N 0.64 3.15 0.10 7.11 1.01 0.11 -0.74 120.40 131.79 2thf s VAL 138 Ca -0.15 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.25 2thf s VAL 138 Cb -0.16 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2thf s VAL 138 CO 0.04 0.56 -0.19 0.42 0.00 0.00 0.00 175.10 175.93 2thf s THR 139 N -0.24 1.57 0.00 3.92 -4.23 -1.21 -0.30 115.64 115.15 2thf s THR 139 Ca 0.02 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 2thf s THR 139 Cb -0.13 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.24 2thf s THR 139 CO 0.03 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 2thf n GLY 140 N 1.05 1.22 1.06 3.99 0.00 -0.39 -4.47 105.19 107.65 2thf n GLY 140 Ca -0.19 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.37 2thf n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2thf n TRP 141 N -0.19 0.48 -0.43 1.61 7.02 -1.26 -2.43 117.44 122.24 2thf n TRP 141 Ca 0.00 -0.24 -0.11 0.00 -1.02 0.00 0.00 57.50 56.13 2thf n TRP 141 Cb 0.00 0.00 0.10 0.00 -2.42 0.00 0.00 31.31 28.99 2thf n TRP 141 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2thf n GLY 142 N 1.45 -3.13 3.65 6.99 0.00 -1.26 -4.54 105.19 108.35 2thf n GLY 142 Ca 0.19 -1.37 -0.45 0.00 0.00 0.00 0.00 46.02 44.38 2thf n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2thf n ASN 143 N -3.86 2.31 0.07 1.61 3.02 0.08 -3.34 115.26 115.15 2thf n ASN 143 Ca 0.05 1.15 0.13 0.00 -0.03 0.00 0.00 54.58 55.89 2thf n ASN 143 Cb 0.22 -1.37 0.44 0.00 -0.61 0.00 0.00 39.78 38.46 2thf n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2thf n LEU 144 N 1.92 0.56 -3.71 3.41 4.77 -0.47 -1.15 117.00 122.32 2thf n LEU 144 Ca 0.12 0.50 -0.10 0.00 -0.03 0.00 0.00 56.01 56.50 2thf n LEU 144 Cb 0.30 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 2thf n LEU 144 CO 0.62 -0.10 0.24 -0.54 -1.33 0.00 0.00 177.39 176.28 2thf s LYS 145 N -3.07 1.31 0.00 3.23 1.02 -1.26 -4.42 119.74 116.54 2thf s LYS 145 Ca 0.11 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.27 2thf s LYS 145 Cb 0.15 0.51 0.00 0.00 -0.52 0.00 0.00 37.83 37.96 2thf s LYS 145 CO 0.59 -0.55 0.00 -1.91 -0.92 0.00 0.00 175.35 172.57 2thf n GLU 146 N -0.32 0.00 0.00 1.68 2.13 -1.26 -4.91 120.64 117.96 2thf n GLU 146 Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 2thf n GLU 146 Cb 0.63 -0.84 0.00 0.00 0.27 0.00 0.00 31.44 31.50 2thf n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2thf n GLY 150 N 0.29 0.76 2.98 8.31 0.00 -1.26 -5.06 105.19 111.22 2thf n GLY 150 Ca 0.00 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 2thf n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2thf s GLN 151 N -0.98 1.65 0.57 1.61 1.11 -1.26 -1.37 119.66 120.98 2thf s GLN 151 Ca 0.00 -0.36 -0.17 0.00 0.01 0.00 0.00 55.36 54.84 2thf s GLN 151 Cb 0.00 -1.48 -0.05 0.00 -1.01 0.00 0.00 33.01 30.47 2thf s GLN 151 CO 0.00 -0.08 1.06 -1.25 0.01 0.00 0.00 175.29 175.03 2thf s PRO 152 N 1.04 3.42 0.00 2.91 0.04 -1.26 -4.99 135.00 136.15 2thf s PRO 152 Ca -0.07 1.28 0.21 0.00 0.04 0.00 0.00 61.00 62.46 2thf s PRO 152 Cb -0.15 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 2thf s PRO 152 CO -0.01 -0.74 0.97 -1.13 0.04 0.00 0.00 177.00 176.14 2thf n SER 153 N -1.73 1.54 -4.02 6.66 3.41 -1.26 -4.85 113.62 113.36 2thf n SER 153 Ca 0.09 -1.27 -0.13 0.00 -0.26 0.00 0.00 58.87 57.30 2thf n SER 153 Cb 0.53 0.71 -0.12 0.00 -0.26 0.00 0.00 64.21 65.06 2thf n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2thf s VAL 154 N -2.63 0.44 0.32 -3.33 1.01 -1.26 -4.18 120.40 110.76 2thf s VAL 154 Ca 0.13 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 2thf s VAL 154 Cb 0.17 -0.49 -0.12 0.00 0.00 0.00 0.00 36.38 35.93 2thf s VAL 154 CO 0.68 -0.29 1.39 -0.11 0.00 0.00 0.00 175.10 176.77 2thf n LEU 155 N 1.83 3.77 -4.80 3.92 7.94 -1.26 -4.84 117.00 123.56 2thf n LEU 155 Ca -0.21 1.19 -0.34 0.00 -1.11 0.00 0.00 56.01 55.54 2thf n LEU 155 Cb 0.56 -1.51 -0.07 0.00 0.53 0.00 0.00 43.42 42.93 2thf n LEU 155 CO 0.22 -0.29 -0.23 -1.10 -1.11 0.00 0.00 177.39 174.87 2thf s GLN 156 N -1.38 3.16 0.02 1.96 -1.52 -1.02 -1.16 119.66 119.72 2thf s GLN 156 Ca 0.59 -0.38 0.03 0.00 -1.95 0.00 0.00 55.36 53.64 2thf s GLN 156 Cb -0.56 -2.94 -0.01 0.00 -0.22 0.00 0.00 33.01 29.28 2thf s GLN 156 CO 0.58 0.69 -0.09 0.54 -0.25 0.00 0.00 175.29 176.75 2thf s VAL 157 N -1.12 0.67 -0.06 1.09 0.11 0.17 -1.26 120.40 120.00 2thf s VAL 157 Ca 0.20 -0.70 -0.03 0.00 -2.93 0.00 0.00 61.98 58.52 2thf s VAL 157 Cb -0.12 -0.63 0.03 0.00 -1.53 0.00 0.00 36.38 34.13 2thf s VAL 157 CO 0.10 -0.05 0.15 0.54 -3.33 0.00 0.00 175.10 172.52 2thf s VAL 158 N -0.69 -0.04 -0.26 2.04 0.11 0.59 -0.80 120.40 121.34 2thf s VAL 158 Ca -0.01 0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 59.03 2thf s VAL 158 Cb -0.06 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 2thf s VAL 158 CO 0.00 0.05 0.30 0.20 -3.33 0.00 0.00 175.10 172.33 2thf s ASN 159 N 0.88 6.19 -0.01 3.54 0.01 -1.26 0.10 114.94 124.38 2thf s ASN 159 Ca -0.07 0.20 0.04 0.00 -0.71 0.00 0.00 52.86 52.32 2thf s ASN 159 Cb -0.09 -2.18 -0.01 0.00 0.41 0.00 0.00 41.25 39.39 2thf s ASN 159 CO -0.04 -0.11 -0.13 -0.76 -1.51 0.00 0.00 177.10 174.55 2thf s LEU 160 N 1.82 1.98 0.32 0.60 1.43 -0.51 -4.95 118.68 119.37 2thf s LEU 160 Ca 0.12 -0.23 -0.23 0.00 -1.03 0.00 0.00 54.13 52.76 2thf s LEU 160 Cb -0.16 -0.67 -0.10 0.00 0.03 0.00 0.00 46.19 45.30 2thf s LEU 160 CO 0.10 0.14 0.87 -2.16 0.23 0.00 0.00 176.35 175.53 2thf s PRO 161 N -0.20 4.38 0.38 1.29 0.04 -1.26 -1.35 135.00 138.28 2thf s PRO 161 Ca 0.03 1.11 -0.26 0.00 0.04 0.00 0.00 61.00 61.92 2thf s PRO 161 Cb -0.06 -2.67 -0.09 0.00 0.04 0.00 0.00 34.50 31.72 2thf s PRO 161 CO -0.00 0.24 1.22 0.42 0.04 0.00 0.00 177.00 178.92 2thf s ILE 162 N -1.73 2.97 0.10 0.56 1.01 0.32 0.41 121.20 124.83 2thf s ILE 162 Ca 0.51 0.87 0.06 0.00 0.00 0.00 0.00 60.65 62.09 2thf s ILE 162 Cb -0.16 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2thf s ILE 162 CO 0.20 0.13 -0.07 -0.69 0.00 0.00 0.00 174.94 174.51 2thf s VAL 163 N -1.30 3.54 0.28 2.92 1.01 -0.48 -0.43 120.40 125.93 2thf s VAL 163 Ca 0.54 -1.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2thf s VAL 163 Cb -0.34 -2.66 -0.13 0.00 0.00 0.00 0.00 36.38 33.25 2thf s VAL 163 CO 0.44 0.11 1.43 -0.62 0.00 0.00 0.00 175.10 176.46 2thf n GLU 164 N 0.66 2.23 -0.14 2.72 4.71 -1.26 -4.60 120.64 124.96 2thf n GLU 164 Ca -0.13 0.79 -0.04 0.00 -0.01 0.00 0.00 57.16 57.78 2thf n GLU 164 Cb 0.52 -2.46 0.03 0.00 -1.01 0.00 0.00 31.44 28.52 2thf n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 2thf h ARG 165 N 3.90 -0.01 -0.77 3.49 2.43 -1.98 -0.66 114.38 120.78 2thf h ARG 165 Ca -0.46 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 58.81 2thf h ARG 165 Cb 1.26 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.74 2thf h ARG 165 CO 0.73 -0.00 0.41 -1.35 -1.51 0.00 0.00 179.97 178.25 2thf h PRO 166 N -0.01 0.67 -0.50 0.20 0.11 -1.99 0.12 132.00 130.61 2thf h PRO 166 Ca 0.22 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 2thf h PRO 166 Cb 0.34 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 2thf h PRO 166 CO -0.48 0.44 0.07 0.28 -0.21 0.00 0.00 178.00 178.10 2thf h VAL 167 N 0.69 1.23 0.00 3.15 2.07 -1.67 -0.90 116.25 120.83 2thf h VAL 167 Ca 0.38 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 2thf h VAL 167 Cb 0.38 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2thf h VAL 167 CO -0.26 0.32 -0.00 0.00 0.02 0.00 0.00 177.57 177.65 2thf h LYS 169 N -0.32 0.59 0.00 0.00 3.64 -0.61 -2.13 116.57 117.74 2thf h LYS 169 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2thf h LYS 169 Cb 0.32 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2thf h LYS 169 CO 0.00 0.39 0.00 -0.25 -2.27 0.00 0.00 179.45 177.32 2thf n ASP 170 N -4.81 0.20 -0.29 4.20 8.00 -0.36 -3.14 116.55 120.35 2thf n ASP 170 Ca 0.06 0.53 0.14 0.00 0.71 0.00 0.00 54.79 56.23 2thf n ASP 170 Cb 0.12 -0.58 0.64 0.00 -0.02 0.00 0.00 41.12 41.28 2thf n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2thf n SER 171 N -1.71 0.94 -3.67 -2.24 3.41 -0.80 -4.92 113.62 104.63 2thf n SER 171 Ca 0.05 -1.21 -0.10 0.00 -0.26 0.00 0.00 58.87 57.35 2thf n SER 171 Cb 0.27 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 2thf n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2thf s THR 172 N -2.09 0.03 -0.29 6.66 -1.32 -1.19 -4.81 115.64 112.63 2thf s THR 172 Ca 0.39 -0.61 0.22 0.00 -1.21 0.00 0.00 61.69 60.48 2thf s THR 172 Cb 0.21 -1.42 -0.13 0.00 -1.51 0.00 0.00 72.50 69.65 2thf s THR 172 CO 0.37 -0.12 0.88 0.54 -2.21 0.00 0.00 174.62 174.08 2thf n ARG 173 N -0.33 0.53 -2.07 7.08 3.00 -1.26 -4.91 116.66 118.70 2thf n ARG 173 Ca -0.12 -0.01 -0.40 0.00 -0.01 0.00 0.00 57.85 57.31 2thf n ARG 173 Cb 0.63 -1.67 -0.01 0.00 0.00 0.00 0.00 32.46 31.40 2thf n ARG 173 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2thf s ILE 174 N -3.36 2.62 -0.28 0.55 1.09 -1.26 -4.92 121.20 115.64 2thf s ILE 174 Ca -0.01 0.60 -0.29 0.00 -1.10 0.00 0.00 60.65 59.85 2thf s ILE 174 Cb 0.12 -3.38 -0.00 0.00 -1.06 0.00 0.00 42.46 38.14 2thf s ILE 174 CO 0.83 0.13 1.35 -0.60 -0.10 0.00 0.00 174.94 176.55 2thf s ARG 175 N -1.96 3.91 0.34 2.79 3.52 -1.26 -5.01 118.95 121.29 2thf s ARG 175 Ca 0.52 1.34 -0.08 0.00 -0.13 0.00 0.00 55.73 57.37 2thf s ARG 175 Cb -0.40 -3.90 -0.06 0.00 -1.56 0.00 0.00 34.95 29.03 2thf s ARG 175 CO 0.53 -1.13 0.66 0.42 -0.81 0.00 0.00 175.30 174.97 2thf s ILE 176 N 4.46 4.89 0.35 4.11 -1.09 -1.26 -4.72 121.20 127.95 2thf s ILE 176 Ca 0.59 0.38 0.04 0.00 -2.23 0.00 0.00 60.65 59.43 2thf s ILE 176 Cb -0.18 -3.72 -0.06 0.00 -1.58 0.00 0.00 42.46 36.92 2thf s ILE 176 CO 0.24 -0.39 0.06 0.42 -1.23 0.00 0.00 174.94 174.04 2thf s THR 177 N -2.19 1.13 -0.44 2.92 -4.23 -1.26 -5.01 115.64 106.57 2thf s THR 177 Ca 0.48 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.20 2thf s THR 177 Cb -0.11 -2.71 0.22 0.00 1.34 0.00 0.00 72.50 71.24 2thf s THR 177 CO 0.29 0.00 1.65 0.47 -0.54 0.00 0.00 174.62 176.50 2thf n ASP 178 N -0.81 0.57 -0.34 3.99 8.00 -1.26 -2.18 116.55 124.52 2thf n ASP 178 Ca -0.04 0.68 0.08 0.00 0.71 0.00 0.00 54.79 56.22 2thf n ASP 178 Cb 0.66 -0.79 0.33 0.00 -0.02 0.00 0.00 41.12 41.31 2thf n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2thf n ASN 179 N -2.18 1.00 -4.27 -2.24 3.02 -1.26 -4.85 115.26 104.49 2thf n ASN 179 Ca 0.01 -1.72 -0.15 0.00 -0.03 0.00 0.00 54.58 52.69 2thf n ASN 179 Cb 0.16 -0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.14 2thf n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2thf s MET 180 N -1.83 1.23 0.11 3.52 0.23 -0.93 0.10 119.30 121.73 2thf s MET 180 Ca 0.25 -1.63 -0.18 0.00 -1.03 0.00 0.00 55.69 53.11 2thf s MET 180 Cb 0.13 -0.28 0.04 0.00 -1.53 0.00 0.00 34.83 33.19 2thf s MET 180 CO 0.19 -0.19 0.44 -0.59 -2.03 0.00 0.00 175.02 172.84 2thf s PHE 181 N -3.68 -0.28 0.27 3.16 -0.12 -0.69 -4.77 117.98 111.87 2thf s PHE 181 Ca 0.29 0.06 0.12 0.00 -0.05 0.00 0.00 56.93 57.34 2thf s PHE 181 Cb 0.07 0.30 -0.05 0.00 -0.63 0.00 0.00 43.02 42.71 2thf s PHE 181 CO 0.08 -0.69 -0.19 0.00 -0.05 0.00 0.00 175.22 174.36 2thf s ALA 183 N -2.56 -0.49 0.00 0.00 0.00 -0.83 -1.39 121.76 116.50 2thf s ALA 183 Ca 0.29 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2thf s ALA 183 Cb -0.05 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.71 2thf s ALA 183 CO 0.14 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2thf n GLY 184 N -0.16 3.06 3.86 0.00 0.00 0.17 -2.96 105.19 109.16 2thf n GLY 184 Ca -0.14 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 2thf n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2thf s TYR 184 N -2.00 3.45 0.27 1.61 2.02 -1.26 -4.37 117.35 117.06 2thf s TYR 184 Ca 0.00 1.20 -0.07 0.00 -0.37 0.00 0.00 57.07 57.83 2thf s TYR 184 Cb 0.00 -2.56 -0.06 0.00 -0.40 0.00 0.00 41.96 38.94 2thf s TYR 184 CO 0.00 -0.15 0.56 0.15 -1.57 0.00 0.00 175.55 174.54 2thf s LYS 185 N -3.76 3.70 0.55 -0.62 1.02 -1.26 -4.81 119.74 114.55 2thf s LYS 185 Ca 0.54 0.13 0.27 0.00 0.02 0.00 0.00 55.97 56.93 2thf s LYS 185 Cb -0.10 -2.64 1.46 0.00 -0.52 0.00 0.00 37.83 36.02 2thf s LYS 185 CO 0.29 0.25 1.98 -1.35 -0.92 0.00 0.00 175.35 175.60 2thf h PRO 186 N 2.03 0.00 -0.25 -1.68 0.11 -1.96 0.13 132.00 130.37 2thf h PRO 186 Ca -0.47 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 2thf h PRO 186 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2thf h PRO 186 CO 0.67 0.00 -0.33 0.38 -0.21 0.00 0.00 178.00 178.51 2thf h ASP 186 N 0.00 0.55 0.00 -2.05 3.04 -1.96 -3.30 116.42 112.70 2thf h ASP 186 Ca 0.23 -0.22 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 2thf h ASP 186 Cb 1.03 -0.15 0.00 0.00 -1.04 0.00 0.00 39.33 39.16 2thf h ASP 186 CO -0.00 0.85 0.07 -0.33 -2.04 0.00 0.00 179.24 177.78 2thf h GLU 186 N 0.45 0.00 0.00 4.15 5.08 -1.11 -3.47 114.58 119.68 2thf h GLU 186 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2thf h GLU 186 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2thf h GLU 186 CO 0.07 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.49 2thf n GLY 186 N -1.28 2.06 3.86 -3.84 0.00 -1.24 -4.95 105.19 99.79 2thf n GLY 186 Ca -0.01 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 2thf n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2thf s LYS 186 N 0.00 3.78 0.00 1.61 1.02 -1.26 -5.08 119.74 119.81 2thf s LYS 186 Ca 0.00 0.81 0.00 0.00 0.02 0.00 0.00 55.97 56.80 2thf s LYS 186 Cb 0.00 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 2thf s LYS 186 CO 0.00 -0.37 0.00 0.54 -0.92 0.00 0.00 175.35 174.60 2thf n ARG 187 N -2.04 1.45 0.00 1.68 1.74 -1.26 -4.68 116.66 113.55 2thf n ARG 187 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2thf n ARG 187 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 2thf n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2thf n GLY 188 N 3.56 4.55 3.55 -0.13 0.00 -1.26 -4.94 105.19 110.53 2thf n GLY 188 Ca 0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 46.02 44.72 2thf n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2thf s ASP 189 N 0.00 -0.28 0.95 1.61 2.15 -0.94 -4.66 116.67 115.50 2thf s ASP 189 Ca 0.00 -0.05 -0.13 0.00 0.43 0.00 0.00 52.55 52.81 2thf s ASP 189 Cb 0.00 0.33 0.20 0.00 -0.30 0.00 0.00 42.92 43.15 2thf s ASP 189 CO 0.00 -0.55 1.19 0.00 -0.17 0.00 0.00 175.17 175.64 2thf n ALA 190 N -0.24 -1.13 -3.70 3.66 0.00 -1.26 -0.42 120.51 117.41 2thf n ALA 190 Ca -0.06 -1.66 -0.09 0.00 0.00 0.00 0.00 53.44 51.62 2thf n ALA 190 Cb 0.61 -0.01 0.01 0.00 0.00 0.00 0.00 19.45 20.06 2thf n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2thf n GLU 192 N -0.52 1.53 0.00 0.00 4.71 -1.26 -1.17 120.64 123.93 2thf n GLU 192 Ca -0.07 0.54 0.00 0.00 -0.01 0.00 0.00 57.16 57.62 2thf n GLU 192 Cb 0.60 -1.97 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 2thf n GLU 192 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2thf n GLY 193 N 1.11 3.04 0.06 0.62 0.00 -1.26 -0.74 105.19 108.02 2thf n GLY 193 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 2thf n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2thf n ASP 194 N 0.00 0.61 -4.52 1.61 8.00 -0.31 -3.69 116.55 118.25 2thf n ASP 194 Ca 0.00 0.27 -0.40 0.00 0.71 0.00 0.00 54.79 55.37 2thf n ASP 194 Cb 0.00 -0.23 0.02 0.00 -0.02 0.00 0.00 41.12 40.90 2thf n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2thf n SER 195 N -1.99 -0.15 0.00 -2.24 7.64 -1.26 -1.50 113.62 114.11 2thf n SER 195 Ca 0.05 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.81 2thf n SER 195 Cb 0.41 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2thf n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2thf n GLY 196 N 1.56 2.81 3.73 0.23 0.00 -0.32 -0.73 105.19 112.46 2thf n GLY 196 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2thf n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2thf s GLY 197 N -1.82 1.68 0.28 -0.02 0.00 -0.57 -3.17 107.32 103.70 2thf s GLY 197 Ca 0.00 0.37 -0.17 0.00 0.00 0.00 0.00 44.72 44.92 2thf s GLY 197 CO 0.00 0.75 0.73 2.56 0.00 0.00 0.00 173.10 177.15 2thf s PRO 198 N -4.81 4.10 -0.33 2.90 0.04 -1.26 -1.33 135.00 134.32 2thf s PRO 198 Ca 0.63 0.75 -0.03 0.00 0.04 0.00 0.00 61.00 62.39 2thf s PRO 198 Cb -0.19 -2.60 0.06 0.00 0.04 0.00 0.00 34.50 31.80 2thf s PRO 198 CO 0.57 0.25 0.07 0.12 0.04 0.00 0.00 177.00 178.04 2thf s PHE 199 N -1.81 3.33 0.29 0.56 2.19 -0.76 -3.31 117.98 118.48 2thf s PHE 199 Ca 0.50 -1.86 0.10 0.00 0.33 0.00 0.00 56.93 56.00 2thf s PHE 199 Cb -0.13 -2.38 -0.05 0.00 -1.31 0.00 0.00 43.02 39.16 2thf s PHE 199 CO 0.19 -0.82 -0.04 0.14 1.83 0.00 0.00 175.22 176.52 2thf s VAL 200 N 1.27 2.97 0.00 3.12 -7.23 0.08 -0.54 120.40 120.08 2thf s VAL 200 Ca -0.02 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.10 2thf s VAL 200 Cb -0.20 -2.71 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 2thf s VAL 200 CO -0.01 -0.32 0.04 -0.04 -0.31 0.00 0.00 175.10 174.46 2thf s MET 201 N -3.66 0.26 -0.16 4.82 -1.94 0.16 0.51 119.30 119.29 2thf s MET 201 Ca 0.32 -0.32 -0.14 0.00 -1.71 0.00 0.00 55.69 53.84 2thf s MET 201 Cb -0.04 0.10 -0.05 0.00 2.01 0.00 0.00 34.83 36.86 2thf s MET 201 CO 0.19 -0.05 0.31 0.21 -0.01 0.00 0.00 175.02 175.67 2thf s LYS 202 N -0.92 4.27 -0.14 2.03 2.20 -1.26 -0.40 119.74 125.52 2thf s LYS 202 Ca -0.10 0.14 -0.29 0.00 -0.36 0.00 0.00 55.97 55.35 2thf s LYS 202 Cb -0.06 -3.43 -0.01 0.00 -1.51 0.00 0.00 37.83 32.82 2thf s LYS 202 CO -0.00 0.22 1.01 0.45 -0.36 0.00 0.00 175.35 176.67 2thf s SER 203 N 0.50 7.19 0.42 1.43 0.15 0.89 -4.91 113.70 119.37 2thf s SER 203 Ca 0.18 1.47 0.20 0.00 0.70 0.00 0.00 55.95 58.49 2thf s SER 203 Cb -0.13 -2.55 0.94 0.00 -1.71 0.00 0.00 66.02 62.57 2thf s SER 203 CO 0.05 -0.50 1.87 -0.65 1.20 0.00 0.00 173.24 175.20 2thf h PRO 204 N 7.20 0.00 -0.57 5.44 0.11 -1.96 0.25 132.00 142.47 2thf h PRO 204 Ca -0.28 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 2thf h PRO 204 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2thf h PRO 204 CO 0.89 0.29 0.04 0.74 -0.21 0.00 0.00 178.00 179.75 2thf h PHE 204 N 0.00 1.02 0.00 0.65 -1.00 -1.96 -3.37 116.94 112.28 2thf h PHE 204 Ca -0.00 -0.15 0.00 0.00 2.81 0.00 0.00 57.97 60.63 2thf h PHE 204 Cb 0.64 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.92 2thf h PHE 204 CO 0.00 0.90 -0.01 0.27 -1.61 0.00 0.00 178.31 177.86 2thf n ASN 204 N -4.21 0.55 0.00 2.17 2.04 -1.19 -5.01 115.26 109.62 2thf n ASN 204 Ca 0.03 -1.29 0.00 0.00 -0.44 0.00 0.00 54.58 52.88 2thf n ASN 204 Cb 0.30 -0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.55 2thf n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 2thf n ASN 205 N -0.14 -0.80 -4.89 0.53 5.15 0.07 -4.99 115.26 110.18 2thf n ASN 205 Ca 0.00 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.67 2thf n ASN 205 Cb 0.43 -1.22 -0.05 0.00 -0.53 0.00 0.00 39.78 38.41 2thf n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2thf s ARG 206 N -0.52 3.70 0.00 1.20 0.52 -1.25 -4.76 118.95 117.85 2thf s ARG 206 Ca 0.00 0.08 -0.21 0.00 -0.52 0.00 0.00 55.73 55.08 2thf s ARG 206 Cb 0.00 -2.73 -0.05 0.00 0.52 0.00 0.00 34.95 32.69 2thf s ARG 206 CO 0.00 0.36 0.61 -1.58 0.02 0.00 0.00 175.30 174.71 2thf s TRP 207 N -1.80 3.69 0.04 -0.53 0.52 -1.26 -0.08 118.94 119.52 2thf s TRP 207 Ca 0.44 1.23 0.07 0.00 0.02 0.00 0.00 56.10 57.86 2thf s TRP 207 Cb -0.11 -2.62 -0.02 0.00 -1.15 0.00 0.00 33.47 29.56 2thf s TRP 207 CO 0.24 0.35 -0.21 0.71 0.02 0.00 0.00 176.95 178.06 2thf s TYR 208 N -0.21 1.83 -0.32 -1.98 2.02 0.47 -1.95 117.35 117.21 2thf s TYR 208 Ca 0.32 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.49 2thf s TYR 208 Cb -0.18 -1.10 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 2thf s TYR 208 CO 0.18 0.08 0.36 -1.14 -1.57 0.00 0.00 175.55 173.46 2thf s GLN 209 N -1.11 3.71 -0.15 -0.62 0.74 0.31 -0.67 119.66 121.88 2thf s GLN 209 Ca 0.08 -0.27 0.19 0.00 0.05 0.00 0.00 55.36 55.40 2thf s GLN 209 Cb -0.09 -3.76 -0.28 0.00 1.10 0.00 0.00 33.01 29.99 2thf s GLN 209 CO 0.02 -0.44 0.20 -1.33 -0.55 0.00 0.00 175.29 173.18 2thf n MET 210 N 5.37 0.68 -4.23 1.67 2.81 0.30 -4.17 117.12 119.55 2thf n MET 210 Ca -0.09 -0.07 -0.13 0.00 -1.81 0.00 0.00 57.70 55.60 2thf n MET 210 Cb 0.50 -1.52 -0.10 0.00 -0.71 0.00 0.00 33.22 31.39 2thf n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2thf s GLY 211 N -5.19 1.55 -0.08 3.03 0.00 -0.80 -1.31 107.32 104.52 2thf s GLY 211 Ca -0.09 -1.75 0.02 0.00 0.00 0.00 0.00 44.72 42.90 2thf s GLY 211 CO 0.85 -1.45 -0.13 -0.42 0.00 0.00 0.00 173.10 171.96 2thf s ILE 212 N -4.04 1.20 -0.02 0.90 1.01 -0.74 -1.83 121.20 117.69 2thf s ILE 212 Ca 0.39 -0.50 -0.34 0.00 0.00 0.00 0.00 60.65 60.20 2thf s ILE 212 Cb 0.07 -1.10 -0.12 0.00 0.01 0.00 0.00 42.46 41.32 2thf s ILE 212 CO 0.13 0.37 1.84 0.52 0.00 0.00 0.00 174.94 177.80 2thf n VAL 213 N 3.95 0.49 0.02 2.92 0.31 -0.44 0.25 118.33 125.82 2thf n VAL 213 Ca -0.21 -0.09 -0.02 0.00 -0.01 0.00 0.00 64.34 64.01 2thf n VAL 213 Cb 0.52 -1.88 -0.01 0.00 -0.91 0.00 0.00 33.84 31.56 2thf n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2thf n SER 214 N 6.13 1.19 -3.29 4.52 2.88 -0.60 -1.18 113.62 123.27 2thf n SER 214 Ca 0.21 0.17 -0.06 0.00 -1.33 0.00 0.00 58.87 57.86 2thf n SER 214 Cb 0.31 -0.39 0.01 0.00 -0.75 0.00 0.00 64.21 63.39 2thf n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2thf s TRP 215 N -2.17 0.03 0.00 0.66 1.48 -0.84 -4.91 118.94 113.18 2thf s TRP 215 Ca -0.06 -0.54 0.00 0.00 -1.06 0.00 0.00 56.10 54.44 2thf s TRP 215 Cb 0.01 0.75 0.00 0.00 -1.16 0.00 0.00 33.47 33.07 2thf s TRP 215 CO 0.09 -1.22 0.00 0.41 -4.06 0.00 0.00 176.95 172.17 2thf n GLY 216 N -0.57 1.25 2.61 3.67 0.00 -1.26 0.15 105.19 111.03 2thf n GLY 216 Ca -0.06 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 2thf n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2thf s GLU 217 N -1.13 0.07 1.48 1.61 2.02 -1.26 -5.04 118.70 116.45 2thf s GLU 217 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 54.97 54.89 2thf s GLU 217 Cb 0.00 -1.76 0.00 0.00 0.10 0.00 0.00 34.13 32.47 2thf s GLU 217 CO 0.00 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 175.00 2thf n GLY 219 N 5.28 -1.55 2.93 -1.39 0.00 -1.26 -4.79 105.19 104.40 2thf n GLY 219 Ca -0.07 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 2thf n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2thf n ASP 221 N 3.69 -4.75 -4.74 0.00 2.03 -1.26 -4.71 116.55 106.81 2thf n ASP 221 Ca -0.21 0.13 -0.41 0.00 0.52 0.00 0.00 54.79 54.83 2thf n ASP 221 Cb 0.55 -4.03 -0.05 0.00 -0.72 0.00 0.00 41.12 36.87 2thf n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2thf s ARG 221 N -4.86 4.65 0.41 -0.67 0.52 -1.26 -4.90 118.95 112.84 2thf s ARG 221 Ca 0.00 1.34 -0.26 0.00 -0.52 0.00 0.00 55.73 56.29 2thf s ARG 221 Cb 0.00 -3.36 -0.10 0.00 0.52 0.00 0.00 34.95 32.01 2thf s ARG 221 CO 0.00 0.27 1.29 -0.25 0.02 0.00 0.00 175.30 176.63 2thf n ASP 222 N 2.66 2.68 0.00 0.23 8.00 -1.26 -1.21 116.55 127.64 2thf n ASP 222 Ca 0.00 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.63 2thf n ASP 222 Cb 0.49 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 2thf n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2thf n GLY 223 N 0.78 1.91 3.72 0.44 0.00 -1.26 -5.00 105.19 105.78 2thf n GLY 223 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2thf n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2thf s LYS 224 N -0.05 2.55 -0.02 1.61 -0.14 -0.35 -4.76 119.74 118.58 2thf s LYS 224 Ca 0.00 -1.26 -0.03 0.00 -1.36 0.00 0.00 55.97 53.32 2thf s LYS 224 Cb 0.00 -2.33 0.00 0.00 -1.68 0.00 0.00 37.83 33.82 2thf s LYS 224 CO 0.00 0.38 0.08 -0.06 -0.76 0.00 0.00 175.35 175.00 2thf s PHE 225 N -2.22 -0.04 0.36 3.18 0.08 -1.26 -4.76 117.98 113.33 2thf s PHE 225 Ca 0.32 0.11 -0.25 0.00 0.12 0.00 0.00 56.93 57.22 2thf s PHE 225 Cb -0.07 -0.00 -0.09 0.00 -0.57 0.00 0.00 43.02 42.29 2thf s PHE 225 CO 0.22 -0.09 1.05 0.20 -0.10 0.00 0.00 175.22 176.49 2thf s GLY 226 N -0.30 2.82 0.01 4.36 0.00 -1.15 -4.75 107.32 108.31 2thf s GLY 226 Ca -0.04 0.72 0.02 0.00 0.00 0.00 0.00 44.72 45.42 2thf s GLY 226 CO 0.00 1.20 0.02 -1.36 0.00 0.00 0.00 173.10 172.95 2thf s PHE 227 N -1.54 3.10 0.06 1.90 0.40 0.12 -1.96 117.98 120.07 2thf s PHE 227 Ca 0.54 0.09 0.05 0.00 -0.60 0.00 0.00 56.93 57.01 2thf s PHE 227 Cb -0.24 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 2thf s PHE 227 CO 0.30 0.48 -0.14 0.71 0.70 0.00 0.00 175.22 177.27 2thf s TYR 228 N -1.13 1.16 0.15 0.36 1.51 0.10 -1.56 117.35 117.94 2thf s TYR 228 Ca 0.21 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 2thf s TYR 228 Cb -0.12 -0.66 -0.07 0.00 -0.11 0.00 0.00 41.96 41.00 2thf s TYR 228 CO 0.12 0.04 1.17 0.99 -1.11 0.00 0.00 175.55 176.76 2thf s THR 229 N -1.21 3.75 -0.84 -0.71 2.01 0.14 -1.70 115.64 117.07 2thf s THR 229 Ca -0.02 1.42 -0.25 0.00 0.31 0.00 0.00 61.69 63.15 2thf s THR 229 Cb -0.10 -3.91 0.03 0.00 0.01 0.00 0.00 72.50 68.53 2thf s THR 229 CO 0.02 0.21 1.44 -2.28 -0.69 0.00 0.00 174.62 173.31 2thf s HIS 230 N 0.16 2.29 0.13 4.92 2.46 0.11 -1.79 115.29 123.58 2thf s HIS 230 Ca 0.53 -0.23 -0.21 0.00 0.47 0.00 0.00 55.06 55.62 2thf s HIS 230 Cb -0.31 -4.57 -0.01 0.00 -0.13 0.00 0.00 32.58 27.56 2thf s HIS 230 CO 0.34 -2.03 1.67 0.28 -2.47 0.00 0.00 174.74 172.54 2thf h VAL 231 N 6.47 0.62 -0.99 0.89 2.07 -1.51 -2.56 116.25 121.23 2thf h VAL 231 Ca -0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2thf h VAL 231 Cb 1.04 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 2thf h VAL 231 CO 1.33 0.00 0.65 0.15 0.02 0.00 0.00 177.57 179.71 2thf h PHE 232 N -0.15 1.21 -0.01 1.57 3.57 -1.86 -0.92 116.94 120.35 2thf h PHE 232 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2thf h PHE 232 Cb 0.30 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 2thf h PHE 232 CO -0.27 0.69 0.01 0.00 -2.23 0.00 0.00 178.31 176.51 2thf h ARG 233 N 1.24 0.00 -0.33 1.11 2.47 -1.83 -1.97 114.38 115.07 2thf h ARG 233 Ca 0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 2thf h ARG 233 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 2thf h ARG 233 CO -0.13 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.68 2thf n LEU 234 N -3.59 3.55 -0.01 3.04 4.32 -0.40 -4.70 117.00 119.20 2thf n LEU 234 Ca -0.03 -2.52 0.08 0.00 -0.02 0.00 0.00 56.01 53.52 2thf n LEU 234 Cb 0.09 -0.41 0.48 0.00 -1.62 0.00 0.00 43.42 41.96 2thf n LEU 234 CO 0.25 0.71 1.17 0.11 -1.22 0.00 0.00 177.39 178.40 2thf h LYS 235 N 2.11 0.43 -0.66 3.23 1.79 -0.76 -2.68 116.57 120.02 2thf h LYS 235 Ca 0.00 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 2thf h LYS 235 Cb 1.14 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.66 2thf h LYS 235 CO 0.13 0.28 0.26 0.87 -1.08 0.00 0.00 179.45 179.92 2thf h LYS 236 N 0.44 0.99 -0.22 3.15 6.56 -1.84 -1.31 116.57 124.34 2thf h LYS 236 Ca 0.19 -0.18 -0.10 0.00 -1.06 0.00 0.00 60.65 59.50 2thf h LYS 236 Cb 0.20 -0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 31.70 2thf h LYS 236 CO -0.05 0.83 -0.25 2.35 -2.06 0.00 0.00 179.45 180.27 2thf h TRP 237 N 0.94 0.68 -0.38 -1.35 7.01 -1.86 -1.89 115.95 119.10 2thf h TRP 237 Ca 0.22 -0.21 0.07 0.00 2.11 0.00 0.00 58.89 61.08 2thf h TRP 237 Cb 0.21 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 27.07 2thf h TRP 237 CO 0.01 0.92 0.01 0.82 -2.79 0.00 0.00 178.44 177.41 2thf h ILE 238 N 0.25 0.73 -0.66 2.65 2.04 -1.30 -1.34 117.51 119.88 2thf h ILE 238 Ca 0.03 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2thf h ILE 238 Cb 0.82 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2thf h ILE 238 CO 0.06 0.02 0.35 1.56 0.00 0.00 0.00 178.15 180.14 2thf h GLN 239 N 0.12 0.93 0.27 2.37 4.20 -1.23 -1.70 115.11 120.07 2thf h GLN 239 Ca 0.18 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.78 2thf h GLN 239 Cb 0.25 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2thf h GLN 239 CO -0.30 0.71 -0.41 -0.22 -0.67 0.00 0.00 178.83 177.95 2thf h LYS 240 N 0.90 -0.72 -0.56 1.46 3.64 -0.49 0.79 116.57 121.59 2thf h LYS 240 Ca 0.23 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 2thf h LYS 240 Cb 0.06 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 2thf h LYS 240 CO -0.04 -0.48 0.15 -0.24 -2.27 0.00 0.00 179.45 176.58 2thf h VAL 241 N -0.74 1.23 0.40 2.00 3.04 -1.23 -3.17 116.25 117.78 2thf h VAL 241 Ca -0.01 -0.80 -0.02 0.00 -1.01 0.00 0.00 66.70 64.86 2thf h VAL 241 Cb 0.70 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 2thf h VAL 241 CO -0.14 0.30 -0.19 0.40 -1.01 0.00 0.00 177.57 176.93 2thf h ILE 242 N 0.83 0.58 -3.10 3.17 1.08 -0.70 -3.37 117.51 116.00 2thf h ILE 242 Ca 0.18 -0.37 -0.72 0.00 -0.39 0.00 0.00 64.86 63.56 2thf h ILE 242 Cb 0.28 0.76 -0.21 0.00 -3.07 0.00 0.00 36.82 34.58 2thf h ILE 242 CO -0.00 0.07 -0.05 -1.81 -0.69 0.00 0.00 178.15 175.67 2thf s ASP 243 N -4.87 6.19 0.00 1.72 1.01 0.27 -4.98 116.67 116.00 2thf s ASP 243 Ca -0.15 -1.36 0.00 0.00 0.71 0.00 0.00 52.55 51.76 2thf s ASP 243 Cb 0.03 -2.26 0.00 0.00 1.01 0.00 0.00 42.92 41.70 2thf s ASP 243 CO 0.56 -0.93 0.00 0.00 0.21 0.00 0.00 175.17 175.02 2thf n GLN 244 N 5.88 0.00 0.00 8.23 1.13 -1.25 -4.54 117.38 126.82 2thf n GLN 244 Ca -0.10 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.01 2thf n GLN 244 Cb 0.43 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.82 2thf n GLN 244 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59