#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krt n THR 4 N 0.00 0.00 0.13 1.96 -2.24 -1.26 -4.20 114.28 108.67 3krt n THR 4 Ca 0.00 -1.66 -0.01 0.00 -2.27 0.00 0.00 64.05 60.10 3krt n THR 4 Cb 0.00 -0.76 0.22 0.00 -2.10 0.00 0.00 70.33 67.69 3krt n THR 4 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3krt h VAL 5 N -0.32 1.36 -0.92 2.28 -1.51 -1.99 -1.93 116.25 113.22 3krt h VAL 5 Ca -0.30 -1.74 -0.01 0.00 -1.23 0.00 0.00 66.70 63.43 3krt h VAL 5 Cb 1.19 1.89 -0.04 0.00 -2.13 0.00 0.00 31.29 32.20 3krt h VAL 5 CO 0.36 0.50 0.54 0.50 -1.23 0.00 0.00 177.57 178.24 3krt h LYS 6 N 0.08 1.25 -0.38 5.19 1.63 -1.98 0.32 116.57 122.68 3krt h LYS 6 Ca 0.00 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.59 3krt h LYS 6 Cb 0.92 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 32.27 3krt h LYS 6 CO 0.07 0.89 -0.14 -0.44 -3.45 0.00 0.00 179.45 176.38 3krt h ASP 7 N 1.27 0.67 -0.55 4.20 3.32 -1.88 -1.16 116.42 122.29 3krt h ASP 7 Ca 0.33 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3krt h ASP 7 Cb -0.04 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3krt h ASP 7 CO -0.06 0.83 0.09 0.40 -1.72 0.00 0.00 179.24 178.78 3krt h ILE 8 N 0.62 1.25 -0.34 0.35 1.08 -0.64 -3.10 117.51 116.73 3krt h ILE 8 Ca 0.10 -0.96 -0.07 0.00 -0.39 0.00 0.00 64.86 63.55 3krt h ILE 8 Cb 0.59 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 3krt h ILE 8 CO 0.04 0.35 -0.06 0.25 -0.69 0.00 0.00 178.15 178.04 3krt h LEU 9 N 0.80 0.65 -0.82 1.44 6.46 -0.02 -2.69 115.31 121.13 3krt h LEU 9 Ca 0.17 -0.35 -0.05 0.00 -0.12 0.00 0.00 57.88 57.53 3krt h LEU 9 Cb 0.41 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 3krt h LEU 9 CO 0.01 0.84 0.24 0.44 -0.62 0.00 0.00 178.44 179.36 3krt h ASP 10 N 0.44 1.04 0.08 1.25 3.32 -1.29 -2.88 116.42 118.38 3krt h ASP 10 Ca 0.09 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 3krt h ASP 10 Cb 0.55 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3krt h ASP 10 CO 0.03 0.96 -0.04 0.00 -1.72 0.00 0.00 179.24 178.47 3krt h ALA 11 N 1.18 -0.10 -0.68 3.45 0.00 -1.47 -3.13 119.26 118.51 3krt h ALA 11 Ca 0.24 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.18 3krt h ALA 11 Cb 0.28 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 3krt h ALA 11 CO -0.01 -0.52 -0.45 0.82 0.00 0.00 0.00 179.25 179.09 3krt h ILE 12 N -0.18 0.06 0.00 0.00 2.04 -1.35 -0.88 117.51 117.20 3krt h ILE 12 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3krt h ILE 12 Cb 0.15 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3krt h ILE 12 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.17 3krt n GLN 13 N -5.40 0.51 -4.62 2.37 6.02 -1.10 -4.63 117.38 110.53 3krt n GLN 13 Ca 0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.68 3krt n GLN 13 Cb 0.34 -1.02 -0.14 0.00 1.02 0.00 0.00 30.24 30.44 3krt n GLN 13 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3krt s SER 14 N -1.39 4.17 0.33 1.08 0.01 -0.34 -5.04 113.70 112.53 3krt s SER 14 Ca 0.00 -0.30 0.07 0.00 1.31 0.00 0.00 55.95 57.03 3krt s SER 14 Cb 0.00 -1.65 0.59 0.00 0.21 0.00 0.00 66.02 65.17 3krt s SER 14 CO 0.00 0.15 1.80 -0.65 0.41 0.00 0.00 173.24 174.95 3krt h PRO 15 N 6.84 0.29 0.00 12.44 0.11 -1.84 -3.04 132.00 146.80 3krt h PRO 15 Ca -0.28 -0.10 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 3krt h PRO 15 Cb 1.20 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3krt h PRO 15 CO 0.57 0.53 -0.26 -0.44 -0.21 0.00 0.00 178.00 178.19 3krt h ASP 16 N 0.27 0.00 -1.22 -2.05 5.19 -1.96 -3.42 116.42 113.23 3krt h ASP 16 Ca 0.04 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.13 3krt h ASP 16 Cb 0.58 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.10 3krt h ASP 16 CO 0.04 0.26 1.13 -0.94 -3.12 0.00 0.00 179.24 176.61 3krt s SER 17 N -6.25 4.25 0.84 6.45 1.04 -1.15 -4.94 113.70 113.94 3krt s SER 17 Ca 0.00 0.76 -0.13 0.00 0.48 0.00 0.00 55.95 57.07 3krt s SER 17 Cb 0.11 -2.52 0.09 0.00 0.10 0.00 0.00 66.02 63.80 3krt s SER 17 CO 0.65 -3.21 1.13 0.41 0.98 0.00 0.00 173.24 173.19 3krt n THR 18 N 8.25 1.40 -0.14 2.02 -1.04 -1.26 -4.67 114.28 118.84 3krt n THR 18 Ca 0.40 -0.16 -0.06 0.00 -2.04 0.00 0.00 64.05 62.19 3krt n THR 18 Cb 0.51 -1.10 0.02 0.00 -1.82 0.00 0.00 70.33 67.94 3krt n THR 18 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3krt h PRO 19 N -1.18 0.50 0.00 -2.82 0.11 -1.92 0.45 132.00 127.14 3krt h PRO 19 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3krt h PRO 19 Cb 1.29 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3krt h PRO 19 CO 0.44 0.33 -0.02 0.00 -0.21 0.00 0.00 178.00 178.54 3krt h ALA 20 N 1.20 1.13 0.15 -0.75 0.00 -1.93 -0.95 119.26 118.12 3krt h ALA 20 Ca 0.18 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.72 3krt h ALA 20 Cb 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3krt h ALA 20 CO -0.09 0.03 -1.82 -0.44 0.00 0.00 0.00 179.25 176.93 3krt h ASP 21 N 0.00 0.51 -0.04 0.00 3.45 -1.69 -1.83 116.42 116.81 3krt h ASP 21 Ca -0.00 -0.93 -0.03 0.00 0.43 0.00 0.00 57.03 56.50 3krt h ASP 21 Cb 0.14 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 3krt h ASP 21 CO 0.00 1.80 -0.03 0.40 -1.57 0.00 0.00 179.24 179.84 3krt h ILE 22 N 0.04 1.11 0.00 0.35 2.04 -0.01 -0.08 117.51 120.97 3krt h ILE 22 Ca -0.38 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3krt h ILE 22 Cb 2.03 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 3krt h ILE 22 CO 0.13 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.42 3krt h ALA 23 N 1.77 1.00 0.00 1.87 0.00 -1.26 -3.22 119.26 119.42 3krt h ALA 23 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3krt h ALA 23 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3krt h ALA 23 CO 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 179.25 178.96 3krt h ALA 24 N 2.40 0.83 -2.39 0.00 0.00 -0.12 -3.45 119.26 116.54 3krt h ALA 24 Ca 0.00 -0.27 -0.53 0.00 0.00 0.00 0.00 54.91 54.11 3krt h ALA 24 Cb 0.74 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.51 3krt h ALA 24 CO 0.00 0.37 1.21 -0.51 0.00 0.00 0.00 179.25 180.32 3krt s LEU 25 N -6.43 4.43 0.37 0.00 1.02 -1.00 -4.96 118.68 112.12 3krt s LEU 25 Ca 0.04 2.69 -0.27 0.00 0.02 0.00 0.00 54.13 56.61 3krt s LEU 25 Cb 0.07 -3.54 -0.09 0.00 0.02 0.00 0.00 46.19 42.65 3krt s LEU 25 CO 0.70 -1.05 1.31 -2.84 0.02 0.00 0.00 176.35 174.50 3krt s PRO 26 N 4.14 4.14 0.23 1.29 0.02 -1.26 -4.94 135.00 138.61 3krt s PRO 26 Ca 0.87 2.20 -0.32 0.00 0.02 0.00 0.00 61.00 63.77 3krt s PRO 26 Cb -0.43 -2.90 -0.12 0.00 0.02 0.00 0.00 34.50 31.07 3krt s PRO 26 CO 0.41 -0.37 1.69 1.28 -0.33 0.00 0.00 177.00 179.67 3krt n LEU 27 N 0.42 4.06 -4.70 -5.54 4.32 -1.26 -4.95 117.00 109.36 3krt n LEU 27 Ca 0.02 1.08 -0.36 0.00 -0.02 0.00 0.00 56.01 56.74 3krt n LEU 27 Cb 0.43 -1.57 0.09 0.00 -1.62 0.00 0.00 43.42 40.74 3krt n LEU 27 CO 0.58 0.16 0.80 -0.81 -1.22 0.00 0.00 177.39 176.90 3krt n PRO 28 N 3.46 0.77 -0.17 3.23 -0.04 -1.26 -4.92 135.00 136.08 3krt n PRO 28 Ca 0.14 0.33 -0.12 0.00 -0.04 0.00 0.00 63.50 63.80 3krt n PRO 28 Cb 0.35 -2.45 -0.09 0.00 -0.04 0.00 0.00 33.50 31.27 3krt n PRO 28 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3krt h GLU 29 N 0.03 -0.29 -5.02 0.54 5.08 -1.93 -3.41 114.58 109.58 3krt h GLU 29 Ca -0.49 0.02 -0.41 0.00 -1.00 0.00 0.00 59.36 57.48 3krt h GLU 29 Cb 1.33 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.50 3krt h GLU 29 CO 0.50 -0.19 -0.60 -1.54 -1.00 0.00 0.00 179.01 176.18 3krt s SER 30 N -4.90 1.75 0.05 1.42 1.04 -1.26 -3.79 113.70 108.02 3krt s SER 30 Ca -0.13 -1.42 -0.02 0.00 0.48 0.00 0.00 55.95 54.87 3krt s SER 30 Cb 0.08 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 3krt s SER 30 CO 0.55 -0.71 0.01 -0.72 0.98 0.00 0.00 173.24 173.35 3krt s TYR 31 N -3.54 0.44 0.25 5.02 -0.85 0.20 -4.78 117.35 114.08 3krt s TYR 31 Ca 0.36 -0.94 -0.29 0.00 -0.52 0.00 0.00 57.07 55.68 3krt s TYR 31 Cb 0.08 -0.32 -0.09 0.00 0.38 0.00 0.00 41.96 42.01 3krt s TYR 31 CO 0.15 -0.39 0.92 1.03 -1.52 0.00 0.00 175.55 175.74 3krt s ARG 32 N -3.70 4.78 -0.14 -3.49 0.52 -1.26 -0.59 118.95 115.08 3krt s ARG 32 Ca 0.05 1.43 -0.12 0.00 -0.52 0.00 0.00 55.73 56.56 3krt s ARG 32 Cb 0.06 -3.20 0.04 0.00 0.52 0.00 0.00 34.95 32.37 3krt s ARG 32 CO -0.09 0.49 0.36 0.00 0.02 0.00 0.00 175.30 176.07 3krt s ALA 33 N -1.25 -0.89 -0.10 2.13 0.00 0.35 -1.13 121.76 120.87 3krt s ALA 33 Ca 0.42 1.05 -0.27 0.00 0.00 0.00 0.00 51.96 53.16 3krt s ALA 33 Cb -0.24 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 3krt s ALA 33 CO 0.30 -0.18 0.87 0.42 0.00 0.00 0.00 175.76 177.17 3krt s ILE 34 N 0.31 4.90 0.05 0.00 -1.09 -0.02 -0.97 121.20 124.38 3krt s ILE 34 Ca -0.01 1.76 0.01 0.00 -2.23 0.00 0.00 60.65 60.18 3krt s ILE 34 Cb -0.03 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 36.63 3krt s ILE 34 CO -0.01 0.10 -0.05 -0.89 -1.23 0.00 0.00 174.94 172.86 3krt s THR 35 N 1.58 0.39 0.05 2.92 2.01 0.55 -1.86 115.64 121.28 3krt s THR 35 Ca 0.43 -1.37 0.09 0.00 0.31 0.00 0.00 61.69 61.15 3krt s THR 35 Cb -0.18 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 3krt s THR 35 CO 0.18 -0.65 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.53 3krt s VAL 36 N -2.41 2.37 -0.10 3.82 1.01 -0.99 -1.18 120.40 122.90 3krt s VAL 36 Ca -0.03 -1.37 -0.01 0.00 0.00 0.00 0.00 61.98 60.57 3krt s VAL 36 Cb -0.03 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 3krt s VAL 36 CO -0.03 0.32 -0.07 -1.00 0.00 0.00 0.00 175.10 174.32 3krt s HIS 37 N -0.88 2.94 0.35 5.22 3.76 -1.26 -0.84 115.29 124.59 3krt s HIS 37 Ca 0.13 -0.17 0.03 0.00 -0.15 0.00 0.00 55.06 54.90 3krt s HIS 37 Cb -0.10 -1.81 0.63 0.00 1.11 0.00 0.00 32.58 32.41 3krt s HIS 37 CO 0.04 0.14 1.96 -0.22 -0.85 0.00 0.00 174.74 175.81 3krt h LYS 38 N 5.91 0.71 -0.64 1.40 3.64 -1.10 -1.64 116.57 124.85 3krt h LYS 38 Ca -0.40 -0.08 0.18 0.00 -1.27 0.00 0.00 60.65 59.09 3krt h LYS 38 Cb 1.18 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 3krt h LYS 38 CO 0.56 0.55 0.90 -0.44 -2.27 0.00 0.00 179.45 178.75 3krt h ASP 39 N 0.71 0.00 -0.03 4.20 5.19 -1.95 -3.20 116.42 121.34 3krt h ASP 39 Ca 0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3krt h ASP 39 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 3krt h ASP 39 CO -0.03 0.00 0.00 -0.62 -3.12 0.00 0.00 179.24 175.47 3krt n GLU 40 N -3.24 1.25 0.17 3.56 1.02 -0.62 -4.69 120.64 118.09 3krt n GLU 40 Ca 0.14 -1.12 0.06 0.00 -0.02 0.00 0.00 57.16 56.22 3krt n GLU 40 Cb 1.11 -1.03 0.54 0.00 -0.02 0.00 0.00 31.44 32.04 3krt n GLU 40 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3krt h THR 41 N 0.27 1.06 -0.31 2.62 1.35 -1.67 0.18 112.91 116.41 3krt h THR 41 Ca 0.00 -0.19 0.09 0.00 -0.55 0.00 0.00 66.41 65.76 3krt h THR 41 Cb 0.32 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 3krt h THR 41 CO 0.00 0.07 0.34 1.05 -0.25 0.00 0.00 175.52 176.73 3krt h GLU 42 N 0.18 0.00 0.00 4.72 4.11 -1.87 -3.39 114.58 118.33 3krt h GLU 42 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 3krt h GLU 42 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3krt h GLU 42 CO -0.01 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.07 3krt h MET 43 N 0.00 0.00 -0.11 1.06 -0.00 -1.00 -1.34 114.93 113.54 3krt h MET 43 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.85 3krt h MET 43 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.42 3krt h MET 43 CO -0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.91 178.10 3krt n PHE 44 N -2.57 0.14 -1.60 -0.10 3.72 -1.26 -5.02 117.46 110.78 3krt n PHE 44 Ca -0.02 -0.25 -0.49 0.00 -0.05 0.00 0.00 57.45 56.65 3krt n PHE 44 Cb 0.08 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.56 3krt n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3krt n ALA 45 N 0.24 -0.49 0.00 4.37 0.00 -0.51 -2.18 120.51 121.95 3krt n ALA 45 Ca 0.05 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3krt n ALA 45 Cb 0.26 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3krt n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3krt n GLY 46 N 2.17 2.63 3.87 0.00 0.00 -1.26 -5.06 105.19 107.54 3krt n GLY 46 Ca 0.15 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3krt n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3krt s LEU 47 N 0.00 3.70 0.33 0.99 1.43 -0.93 -5.07 118.68 119.13 3krt s LEU 47 Ca 0.00 1.21 -0.27 0.00 -1.03 0.00 0.00 54.13 54.04 3krt s LEU 47 Cb 0.00 -4.13 -0.09 0.00 0.03 0.00 0.00 46.19 42.00 3krt s LEU 47 CO 0.00 -0.51 1.09 -1.61 0.23 0.00 0.00 176.35 175.54 3krt s GLU 48 N -4.18 4.44 0.28 1.70 2.02 -1.26 -4.95 118.70 116.74 3krt s GLU 48 Ca 0.52 1.71 -0.02 0.00 0.02 0.00 0.00 54.97 57.20 3krt s GLU 48 Cb -0.10 -2.94 0.60 0.00 0.10 0.00 0.00 34.13 31.79 3krt s GLU 48 CO 0.36 0.06 1.61 1.15 0.02 0.00 0.00 175.26 178.46 3krt h THR 49 N 2.74 0.21 -1.16 3.63 2.02 -1.97 0.20 112.91 118.58 3krt h THR 49 Ca -0.47 -0.03 0.33 0.00 0.77 0.00 0.00 66.41 67.01 3krt h THR 49 Cb 1.21 0.12 -0.10 0.00 -1.74 0.00 0.00 68.15 67.64 3krt h THR 49 CO 0.65 0.02 0.76 0.03 0.37 0.00 0.00 175.52 177.35 3krt h ARG 50 N 0.09 0.23 -0.03 6.66 2.47 -1.98 -2.00 114.38 119.82 3krt h ARG 50 Ca 0.51 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.21 3krt h ARG 50 Cb 0.98 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 3krt h ARG 50 CO -0.77 0.15 0.00 -0.25 0.56 0.00 0.00 179.97 179.67 3krt n ASP 51 N -4.56 2.95 -4.72 7.04 8.00 0.05 -4.92 116.55 120.39 3krt n ASP 51 Ca 0.29 -1.97 -0.42 0.00 0.71 0.00 0.00 54.79 53.40 3krt n ASP 51 Cb 1.11 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.17 3krt n ASP 51 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3krt s LYS 52 N -1.94 4.51 -0.40 -1.24 1.02 -0.76 -4.98 119.74 115.95 3krt s LYS 52 Ca 0.27 1.64 0.02 0.00 0.02 0.00 0.00 55.97 57.91 3krt s LYS 52 Cb 0.19 -3.37 0.11 0.00 -0.52 0.00 0.00 37.83 34.24 3krt s LYS 52 CO 0.29 -0.11 0.15 0.34 -0.92 0.00 0.00 175.35 175.09 3krt s ASP 53 N 0.80 4.88 0.63 2.83 -1.08 -1.26 -4.97 116.67 118.50 3krt s ASP 53 Ca 0.54 -2.28 0.26 0.00 -0.52 0.00 0.00 52.55 50.56 3krt s ASP 53 Cb -0.26 -1.70 1.35 0.00 -1.46 0.00 0.00 42.92 40.84 3krt s ASP 53 CO 0.30 -0.41 1.77 -0.65 0.52 0.00 0.00 175.17 176.70 3krt h PRO 54 N 7.56 0.00 0.00 4.34 0.11 -1.87 0.30 132.00 142.44 3krt h PRO 54 Ca -0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3krt h PRO 54 Cb 1.01 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3krt h PRO 54 CO 0.61 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.34 3krt h ARG 55 N 0.00 0.00 0.00 1.05 3.08 -1.94 -0.86 114.38 115.71 3krt h ARG 55 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3krt h ARG 55 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3krt h ARG 55 CO -0.00 0.06 -0.38 0.87 -1.07 0.00 0.00 179.97 179.45 3krt h LYS 56 N 0.00 0.00 0.00 0.04 1.57 -0.77 -3.38 116.57 114.04 3krt h LYS 56 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3krt h LYS 56 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3krt h LYS 56 CO 0.01 0.00 -0.77 -1.13 -0.57 0.00 0.00 179.45 176.98 3krt n SER 57 N -2.57 1.58 -4.69 0.86 3.41 -0.67 -4.98 113.62 106.57 3krt n SER 57 Ca 0.03 -0.39 -0.41 0.00 -0.26 0.00 0.00 58.87 57.84 3krt n SER 57 Cb 0.49 1.15 -0.04 0.00 -0.26 0.00 0.00 64.21 65.55 3krt n SER 57 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3krt s ILE 58 N -2.05 4.91 0.07 -1.33 -1.09 -0.42 -4.55 121.20 116.74 3krt s ILE 58 Ca 0.00 1.66 0.06 0.00 -2.23 0.00 0.00 60.65 60.14 3krt s ILE 58 Cb 0.05 -4.14 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 3krt s ILE 58 CO 0.31 0.09 -0.11 -1.00 -1.23 0.00 0.00 174.94 173.00 3krt s HIS 59 N 1.72 2.74 -0.44 3.97 3.76 -0.33 -4.94 115.29 121.78 3krt s HIS 59 Ca 0.40 -0.15 -0.10 0.00 -0.15 0.00 0.00 55.06 55.07 3krt s HIS 59 Cb -0.17 -1.48 0.09 0.00 1.11 0.00 0.00 32.58 32.13 3krt s HIS 59 CO 0.16 0.38 0.30 -1.17 -0.85 0.00 0.00 174.74 173.55 3krt s LEU 60 N -1.88 5.35 0.20 0.89 2.96 -1.26 -0.33 118.68 124.61 3krt s LEU 60 Ca 0.19 -1.62 0.07 0.00 -0.22 0.00 0.00 54.13 52.55 3krt s LEU 60 Cb -0.11 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 3krt s LEU 60 CO 0.11 -0.59 0.07 -1.81 -1.32 0.00 0.00 176.35 172.80 3krt s ASP 61 N 2.33 5.07 -0.26 3.68 1.01 -0.14 -4.87 116.67 123.49 3krt s ASP 61 Ca 0.04 -0.34 -0.15 0.00 0.71 0.00 0.00 52.55 52.81 3krt s ASP 61 Cb -0.24 -1.17 -0.04 0.00 1.01 0.00 0.00 42.92 42.48 3krt s ASP 61 CO 0.01 0.05 0.38 -1.81 0.21 0.00 0.00 175.17 174.01 3krt s ASP 62 N -3.26 6.29 0.10 0.27 1.01 -1.26 -0.49 116.67 119.33 3krt s ASP 62 Ca 0.30 0.34 0.05 0.00 0.71 0.00 0.00 52.55 53.95 3krt s ASP 62 Cb -0.09 -2.22 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 3krt s ASP 62 CO 0.21 -0.17 -0.14 -0.69 0.21 0.00 0.00 175.17 174.60 3krt s VAL 63 N 1.94 1.19 0.65 -1.27 1.01 0.24 -4.88 120.40 119.27 3krt s VAL 63 Ca 0.16 -1.53 -0.11 0.00 0.00 0.00 0.00 61.98 60.50 3krt s VAL 63 Cb -0.16 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 3krt s VAL 63 CO 0.09 -0.35 1.05 -2.16 0.00 0.00 0.00 175.10 173.73 3krt s PRO 64 N -2.28 3.33 -0.08 2.72 0.04 -1.26 -0.63 135.00 136.84 3krt s PRO 64 Ca 0.04 0.63 -0.30 0.00 0.04 0.00 0.00 61.00 61.41 3krt s PRO 64 Cb -0.07 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 3krt s PRO 64 CO 0.02 -0.73 0.99 0.08 0.04 0.00 0.00 177.00 177.41 3krt s VAL 65 N -3.23 4.81 0.78 -0.36 1.01 -1.25 -4.86 120.40 117.30 3krt s VAL 65 Ca 0.56 2.04 -0.12 0.00 0.00 0.00 0.00 61.98 64.46 3krt s VAL 65 Cb -0.11 -4.31 0.07 0.00 0.00 0.00 0.00 36.38 32.03 3krt s VAL 65 CO 0.53 0.05 1.13 -2.16 0.00 0.00 0.00 175.10 174.64 3krt s PRO 66 N 1.75 2.02 0.41 2.72 0.04 -1.26 -4.99 135.00 135.70 3krt s PRO 66 Ca 0.49 1.41 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 3krt s PRO 66 Cb -0.19 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 3krt s PRO 66 CO 0.20 -1.86 1.34 -2.00 0.04 0.00 0.00 177.00 174.72 3krt s GLU 67 N -4.52 3.92 -0.24 4.56 2.12 -1.26 -5.01 118.70 118.27 3krt s GLU 67 Ca 0.66 2.23 -0.12 0.00 0.36 0.00 0.00 54.97 58.10 3krt s GLU 67 Cb -0.21 -2.75 -0.05 0.00 0.26 0.00 0.00 34.13 31.38 3krt s GLU 67 CO 0.52 -0.56 0.23 -1.17 -0.54 0.00 0.00 175.26 173.74 3krt s LEU 68 N -2.47 4.10 0.00 2.70 2.96 -1.26 -5.09 118.68 119.61 3krt s LEU 68 Ca 0.57 0.19 0.07 0.00 -0.22 0.00 0.00 54.13 54.74 3krt s LEU 68 Cb -0.40 -2.21 0.07 0.00 0.50 0.00 0.00 46.19 44.15 3krt s LEU 68 CO 0.51 -0.00 0.58 0.61 -1.32 0.00 0.00 176.35 176.73 3krt n GLY 69 N 4.37 2.22 3.74 7.98 0.00 -1.26 -4.89 105.19 117.36 3krt n GLY 69 Ca -0.13 -2.24 -0.40 0.00 0.00 0.00 0.00 46.02 43.25 3krt n GLY 69 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3krt n PRO 70 N -1.93 2.15 -0.92 1.61 -0.02 -1.26 -2.93 135.00 131.70 3krt n PRO 70 Ca 0.09 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3krt n PRO 70 Cb 0.52 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3krt n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3krt n GLY 71 N 0.66 0.68 3.65 -1.23 0.00 -0.86 -4.90 105.19 103.20 3krt n GLY 71 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3krt n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3krt s GLU 72 N -0.28 2.19 0.02 1.61 2.02 -1.15 0.01 118.70 123.12 3krt s GLU 72 Ca 0.00 -1.61 -0.03 0.00 0.02 0.00 0.00 54.97 53.36 3krt s GLU 72 Cb 0.00 -2.05 -0.01 0.00 0.10 0.00 0.00 34.13 32.17 3krt s GLU 72 CO 0.00 0.20 0.03 0.00 0.02 0.00 0.00 175.26 175.51 3krt s ALA 73 N -2.44 -0.00 -0.19 5.21 0.00 0.56 -0.84 121.76 124.05 3krt s ALA 73 Ca 0.34 -0.49 -0.10 0.00 0.00 0.00 0.00 51.96 51.72 3krt s ALA 73 Cb -0.03 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 3krt s ALA 73 CO 0.20 -0.20 0.13 -0.51 0.00 0.00 0.00 175.76 175.38 3krt s LEU 74 N -1.58 4.21 -0.08 0.00 1.43 -0.29 -1.98 118.68 120.40 3krt s LEU 74 Ca -0.13 0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 3krt s LEU 74 Cb -0.08 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 3krt s LEU 74 CO -0.01 0.21 -0.21 -0.69 0.23 0.00 0.00 176.35 175.87 3krt s VAL 75 N 0.19 1.82 -0.32 -1.59 1.01 -0.13 0.99 120.40 122.38 3krt s VAL 75 Ca 0.09 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 60.88 3krt s VAL 75 Cb -0.11 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.71 3krt s VAL 75 CO -0.01 0.51 1.05 0.00 0.00 0.00 0.00 175.10 176.64 3krt s ALA 76 N 0.23 3.49 -0.39 5.51 0.00 0.62 -0.92 121.76 130.30 3krt s ALA 76 Ca -0.13 -0.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 3krt s ALA 76 Cb -0.16 -3.64 0.01 0.00 0.00 0.00 0.00 23.12 19.33 3krt s ALA 76 CO 0.06 -1.48 0.45 0.08 0.00 0.00 0.00 175.76 174.87 3krt s VAL 77 N 3.60 5.07 0.09 0.00 1.01 -0.24 -0.40 120.40 129.54 3krt s VAL 77 Ca 0.44 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 3krt s VAL 77 Cb -0.12 -3.98 -0.26 0.00 0.00 0.00 0.00 36.38 32.01 3krt s VAL 77 CO 0.16 -0.32 1.18 0.24 0.00 0.00 0.00 175.10 176.36 3krt h MET 78 N 8.62 0.22 -3.17 2.72 2.86 -1.43 -0.64 114.93 124.12 3krt h MET 78 Ca -0.27 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 56.98 3krt h MET 78 Cb 1.12 0.13 -0.12 0.00 0.06 0.00 0.00 31.60 32.79 3krt h MET 78 CO 0.77 1.16 0.10 0.00 1.06 0.00 0.00 176.91 180.00 3krt s ALA 79 N -2.70 -1.28 0.00 6.32 0.00 -0.87 -0.79 121.76 122.43 3krt s ALA 79 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3krt s ALA 79 Cb 0.08 0.82 0.00 0.00 0.00 0.00 0.00 23.12 24.02 3krt s ALA 79 CO 0.87 -0.74 0.00 0.45 0.00 0.00 0.00 175.76 176.33 3krt n SER 80 N -0.33 0.00 -3.99 0.00 2.88 -0.04 -1.58 113.62 110.57 3krt n SER 80 Ca -0.15 -0.39 -0.10 0.00 -1.33 0.00 0.00 58.87 56.90 3krt n SER 80 Cb 0.64 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.03 3krt n SER 80 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3krt s SER 81 N 0.36 0.05 -0.22 -3.46 1.04 -1.26 -1.45 113.70 108.76 3krt s SER 81 Ca 0.00 -0.93 -0.13 0.00 0.48 0.00 0.00 55.95 55.37 3krt s SER 81 Cb 0.00 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 3krt s SER 81 CO 0.00 -0.90 0.28 -0.69 0.98 0.00 0.00 173.24 172.91 3krt s VAL 82 N -3.99 5.28 0.32 5.02 1.01 -0.18 -4.63 120.40 123.23 3krt s VAL 82 Ca 0.19 0.46 0.09 0.00 0.00 0.00 0.00 61.98 62.72 3krt s VAL 82 Cb 0.03 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 3krt s VAL 82 CO 0.02 0.30 0.04 0.20 0.00 0.00 0.00 175.10 175.65 3krt s ASN 83 N 1.03 4.43 0.39 3.32 0.01 -1.26 -4.57 114.94 118.29 3krt s ASN 83 Ca 0.14 -0.82 0.06 0.00 -0.71 0.00 0.00 52.86 51.52 3krt s ASN 83 Cb -0.14 -0.68 0.79 0.00 0.41 0.00 0.00 41.25 41.62 3krt s ASN 83 CO 0.06 -0.17 2.04 1.88 -1.51 0.00 0.00 177.10 179.40 3krt h TYR 84 N 1.77 0.61 -0.34 2.20 0.99 -1.98 -2.62 116.97 117.60 3krt h TYR 84 Ca -0.43 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.24 3krt h TYR 84 Cb 1.25 -0.21 -0.02 0.00 1.00 0.00 0.00 36.73 38.76 3krt h TYR 84 CO 0.68 0.38 -0.10 -2.95 -0.00 0.00 0.00 178.16 176.17 3krt h ASN 85 N 0.66 0.56 -0.38 3.88 -1.07 -1.99 -0.18 115.58 117.05 3krt h ASN 85 Ca 0.19 -0.14 -0.11 0.00 0.07 0.00 0.00 56.30 56.30 3krt h ASN 85 Cb -0.05 -0.15 -0.02 0.00 -2.07 0.00 0.00 38.32 36.04 3krt h ASN 85 CO -0.04 0.69 -0.17 0.28 0.07 0.00 0.00 177.43 178.26 3krt h SER 86 N 0.53 0.87 -0.05 6.14 0.02 -1.85 -2.17 113.55 117.04 3krt h SER 86 Ca 0.10 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3krt h SER 86 Cb 0.49 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 3krt h SER 86 CO 0.03 1.03 -0.00 0.58 -1.14 0.00 0.00 176.83 177.32 3krt h VAL 87 N 0.76 1.26 -0.68 2.27 2.07 -1.24 -2.29 116.25 118.40 3krt h VAL 87 Ca 0.11 -0.80 0.14 0.00 0.82 0.00 0.00 66.70 66.97 3krt h VAL 87 Cb 0.70 1.71 -0.10 0.00 -1.52 0.00 0.00 31.29 32.07 3krt h VAL 87 CO 0.05 0.22 0.12 0.45 0.02 0.00 0.00 177.57 178.43 3krt h HIS 88 N -0.22 0.17 -0.67 1.57 3.86 -0.95 -0.61 115.15 118.31 3krt h HIS 88 Ca 0.01 0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 3krt h HIS 88 Cb 0.35 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.82 3krt h HIS 88 CO 0.04 -0.10 0.10 1.79 0.86 0.00 0.00 177.93 180.62 3krt h THR 89 N 0.22 1.26 0.00 2.45 1.35 -1.34 -1.03 112.91 115.83 3krt h THR 89 Ca 0.37 -1.05 -0.04 0.00 -0.55 0.00 0.00 66.41 65.14 3krt h THR 89 Cb 0.62 0.65 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 3krt h THR 89 CO -0.50 0.40 -0.19 0.77 -0.25 0.00 0.00 175.52 175.75 3krt h SER 90 N 1.04 0.00 -0.58 5.36 4.64 -0.54 -0.27 113.55 123.18 3krt h SER 90 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3krt h SER 90 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3krt h SER 90 CO 0.01 0.19 0.00 2.30 -0.87 0.00 0.00 176.83 178.47 3krt n ILE 91 N -4.31 0.78 -3.62 0.95 -5.35 -0.66 -4.75 119.36 102.39 3krt n ILE 91 Ca -0.02 -0.89 -0.23 0.00 -0.27 0.00 0.00 62.75 61.34 3krt n ILE 91 Cb 0.25 0.72 0.07 0.00 -1.74 0.00 0.00 39.64 38.94 3krt n ILE 91 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3krt n PHE 92 N 1.59 -2.41 -4.91 4.28 3.01 -0.11 -4.93 117.46 113.97 3krt n PHE 92 Ca 0.22 0.94 -0.26 0.00 1.01 0.00 0.00 57.45 59.37 3krt n PHE 92 Cb 0.62 -4.76 -0.15 0.00 -0.01 0.00 0.00 39.48 35.18 3krt n PHE 92 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3krt s GLU 93 N -6.03 1.56 0.20 -1.08 2.02 -0.56 -3.87 118.70 110.94 3krt s GLU 93 Ca 0.32 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.60 3krt s GLU 93 Cb -0.15 -1.53 0.14 0.00 0.10 0.00 0.00 34.13 32.69 3krt s GLU 93 CO 0.76 0.42 1.49 -1.35 0.02 0.00 0.00 175.26 176.60 3krt h PRO 94 N 5.55 0.32 0.00 0.39 0.11 -1.95 -3.40 132.00 133.00 3krt h PRO 94 Ca -0.39 -0.24 -0.53 0.00 0.11 0.00 0.00 66.00 64.95 3krt h PRO 94 Cb 1.14 0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.19 3krt h PRO 94 CO 0.47 0.87 -0.42 1.28 -0.21 0.00 0.00 178.00 180.00 3krt n LEU 95 N -3.84 0.00 -4.88 2.35 4.77 -1.25 -5.16 117.00 108.98 3krt n LEU 95 Ca -0.03 -2.81 -0.30 0.00 -0.03 0.00 0.00 56.01 52.84 3krt n LEU 95 Cb 0.67 0.73 0.03 0.00 -2.33 0.00 0.00 43.42 42.52 3krt n LEU 95 CO 0.46 -0.42 0.69 -0.94 -1.33 0.00 0.00 177.39 175.85 3krt s SER 96 N -3.32 5.86 0.35 -1.43 1.04 -1.26 -4.74 113.70 110.20 3krt s SER 96 Ca 0.13 1.19 0.27 0.00 0.48 0.00 0.00 55.95 58.02 3krt s SER 96 Cb 0.01 -2.16 0.90 0.00 0.10 0.00 0.00 66.02 64.86 3krt s SER 96 CO 0.09 -1.05 1.77 0.71 0.98 0.00 0.00 173.24 175.74 3krt h THR 97 N -0.39 0.00 -0.38 2.02 1.35 -1.89 -3.31 112.91 110.32 3krt h THR 97 Ca -0.45 -0.52 -0.09 0.00 -0.55 0.00 0.00 66.41 64.80 3krt h THR 97 Cb 1.22 1.45 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 3krt h THR 97 CO 0.63 0.00 -0.14 -0.26 -0.25 0.00 0.00 175.52 175.49 3krt h PHE 98 N 0.00 0.75 -0.43 4.73 -1.00 -1.93 -2.69 116.94 116.37 3krt h PHE 98 Ca 0.00 -0.14 0.09 0.00 2.81 0.00 0.00 57.97 60.73 3krt h PHE 98 Cb 0.63 -0.19 -0.09 0.00 3.61 0.00 0.00 35.95 39.91 3krt h PHE 98 CO 0.00 0.78 -0.25 0.78 -1.61 0.00 0.00 178.31 178.01 3krt h GLY 99 N 0.97 -0.01 0.89 -1.45 0.00 -1.99 -0.39 103.07 101.10 3krt h GLY 99 Ca 0.10 0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.70 3krt h GLY 99 CO 0.04 -0.21 -0.01 -2.75 0.00 0.00 0.00 176.54 173.61 3krt h PHE 100 N -0.17 0.60 -0.36 5.60 3.57 -1.76 -2.06 116.94 122.36 3krt h PHE 100 Ca 0.20 -0.11 0.08 0.00 3.53 0.00 0.00 57.97 61.67 3krt h PHE 100 Cb 0.48 -0.16 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 3krt h PHE 100 CO -0.49 0.68 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.06 3krt h LEU 101 N 0.34 -0.49 0.06 0.59 3.38 -1.12 0.54 115.31 118.61 3krt h LEU 101 Ca 0.09 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.19 3krt h LEU 101 Cb 0.45 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3krt h LEU 101 CO 0.02 -0.18 -0.32 -0.33 0.09 0.00 0.00 178.44 177.73 3krt h GLU 102 N -0.07 -0.42 -0.54 1.13 5.08 -1.04 -1.25 114.58 117.47 3krt h GLU 102 Ca 0.18 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 3krt h GLU 102 Cb 0.35 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3krt h GLU 102 CO -0.41 -0.28 0.17 0.00 -1.00 0.00 0.00 179.01 177.49 3krt h ARG 103 N -0.44 0.84 -0.05 2.33 3.08 -1.07 -1.71 114.38 117.35 3krt h ARG 103 Ca -0.00 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.78 3krt h ARG 103 Cb 0.45 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3krt h ARG 103 CO -0.18 0.76 -0.39 -0.92 -1.07 0.00 0.00 179.97 178.18 3krt h TYR 104 N 0.75 0.13 -0.33 3.04 3.20 -0.98 -2.55 116.97 120.22 3krt h TYR 104 Ca 0.17 -0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.11 3krt h TYR 104 Cb 0.27 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3krt h TYR 104 CO 0.02 0.48 0.37 0.78 -1.64 0.00 0.00 178.16 178.17 3krt h GLY 105 N 1.18 0.00 2.00 1.82 0.00 -0.26 -1.28 103.07 106.52 3krt h GLY 105 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3krt h GLY 105 CO 0.05 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.13 3krt n ARG 106 N -3.73 0.16 0.04 4.80 1.74 -0.96 -3.14 116.66 115.56 3krt n ARG 106 Ca 0.05 0.53 -0.19 0.00 -0.77 0.00 0.00 57.85 57.47 3krt n ARG 106 Cb 0.52 -1.90 -0.09 0.00 -1.02 0.00 0.00 32.46 29.97 3krt n ARG 106 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3krt h VAL 107 N 0.00 1.29 -3.11 1.55 2.07 -1.43 -3.48 116.25 113.14 3krt h VAL 107 Ca 0.00 -2.23 0.01 0.00 0.82 0.00 0.00 66.70 65.30 3krt h VAL 107 Cb 0.18 2.32 -0.09 0.00 -1.52 0.00 0.00 31.29 32.19 3krt h VAL 107 CO 0.00 0.69 0.15 -0.94 0.02 0.00 0.00 177.57 177.49 3krt s SER 108 N -7.24 -0.35 0.42 0.57 1.04 -1.24 -5.00 113.70 101.90 3krt s SER 108 Ca -0.09 -0.40 0.09 0.00 0.48 0.00 0.00 55.95 56.03 3krt s SER 108 Cb 0.07 0.64 0.89 0.00 0.10 0.00 0.00 66.02 67.72 3krt s SER 108 CO 0.91 -1.14 2.01 0.44 0.98 0.00 0.00 173.24 176.44 3krt h ASP 109 N 2.07 0.30 -0.32 7.02 5.19 -1.92 -2.35 116.42 126.40 3krt h ASP 109 Ca -0.27 -0.03 -0.17 0.00 -0.62 0.00 0.00 57.03 55.95 3krt h ASP 109 Cb 1.27 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 3krt h ASP 109 CO 0.32 0.31 -0.43 -0.07 -3.12 0.00 0.00 179.24 176.25 3krt h LEU 110 N 0.33 0.96 -1.45 1.55 -0.00 -1.96 -3.16 115.31 111.58 3krt h LEU 110 Ca 0.08 -0.46 -0.05 0.00 -0.00 0.00 0.00 57.88 57.46 3krt h LEU 110 Cb 0.14 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 40.52 3krt h LEU 110 CO -0.00 1.25 -0.13 0.00 -0.00 0.00 0.00 178.44 179.55 3krt h ALA 111 N 0.79 1.55 0.00 1.53 0.00 -1.74 -2.96 119.26 118.42 3krt h ALA 111 Ca 0.05 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3krt h ALA 111 Cb 1.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3krt h ALA 111 CO 0.10 0.33 -0.41 -0.22 0.00 0.00 0.00 179.25 179.05 3krt h LYS 112 N 0.19 0.00 -1.52 0.00 3.64 -1.38 -2.85 116.57 114.65 3krt h LYS 112 Ca 0.04 0.00 0.44 0.00 -1.27 0.00 0.00 60.65 59.86 3krt h LYS 112 Cb 0.36 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.11 3krt h LYS 112 CO 0.02 0.41 1.08 0.00 -2.27 0.00 0.00 179.45 178.69 3krt h ARG 113 N 0.00 0.03 0.00 1.90 3.08 -1.55 0.20 114.38 118.03 3krt h ARG 113 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3krt h ARG 113 Cb 0.74 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.78 3krt h ARG 113 CO 0.05 0.02 -0.39 0.45 -1.07 0.00 0.00 179.97 179.03 3krt h HIS 114 N 0.03 0.00 -1.27 3.04 3.86 -1.70 -3.42 115.15 115.68 3krt h HIS 114 Ca 0.75 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 59.31 3krt h HIS 114 Cb 2.88 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 31.25 3krt h HIS 114 CO -0.00 0.00 1.64 0.34 0.86 0.00 0.00 177.93 180.77 3krt s ASP 115 N -5.13 6.67 0.13 2.45 2.15 0.70 -4.69 116.67 118.95 3krt s ASP 115 Ca 0.06 -1.98 0.04 0.00 0.43 0.00 0.00 52.55 51.11 3krt s ASP 115 Cb 0.10 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.14 3krt s ASP 115 CO 0.69 -1.28 -0.11 -0.76 -0.17 0.00 0.00 175.17 173.54 3krt s LEU 116 N 4.18 2.47 0.00 -1.34 1.43 -1.26 -5.02 118.68 119.15 3krt s LEU 116 Ca 0.47 -0.92 0.19 0.00 -1.03 0.00 0.00 54.13 52.83 3krt s LEU 116 Cb 0.01 -0.37 0.91 0.00 0.03 0.00 0.00 46.19 46.77 3krt s LEU 116 CO -0.03 -0.28 1.57 -0.81 0.23 0.00 0.00 176.35 177.03 3krt n PRO 117 N 0.15 0.22 -4.33 1.29 -0.04 -1.26 -4.71 135.00 126.31 3krt n PRO 117 Ca -0.13 0.12 -0.17 0.00 -0.04 0.00 0.00 63.50 63.28 3krt n PRO 117 Cb 0.59 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 3krt n PRO 117 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3krt s TYR 118 N -2.64 1.60 -0.23 0.54 -0.85 -1.26 -0.45 117.35 114.06 3krt s TYR 118 Ca 0.16 -0.79 -0.01 0.00 -0.52 0.00 0.00 57.07 55.91 3krt s TYR 118 Cb 0.12 -0.88 0.07 0.00 0.38 0.00 0.00 41.96 41.65 3krt s TYR 118 CO 0.29 0.11 0.00 -1.58 -1.52 0.00 0.00 175.55 172.85 3krt s HIS 119 N -3.25 1.81 -0.26 -3.49 2.46 -0.02 -4.96 115.29 107.58 3krt s HIS 119 Ca 0.25 -1.43 -0.29 0.00 0.47 0.00 0.00 55.06 54.07 3krt s HIS 119 Cb 0.04 -1.40 -0.01 0.00 -0.13 0.00 0.00 32.58 31.07 3krt s HIS 119 CO 0.07 -0.72 1.44 0.08 -2.47 0.00 0.00 174.74 173.14 3krt s VAL 120 N 1.59 3.94 0.48 0.89 1.01 -1.26 -2.36 120.40 124.70 3krt s VAL 120 Ca -0.02 1.06 0.01 0.00 0.00 0.00 0.00 61.98 63.04 3krt s VAL 120 Cb -0.18 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.26 3krt s VAL 120 CO -0.09 -0.38 0.69 -0.51 0.00 0.00 0.00 175.10 174.81 3krt s ILE 121 N 4.72 3.42 0.00 2.22 1.10 -0.78 -0.89 121.20 130.99 3krt s ILE 121 Ca 0.63 -0.62 0.00 0.00 -0.51 0.00 0.00 60.65 60.15 3krt s ILE 121 Cb -0.21 -3.26 0.00 0.00 0.15 0.00 0.00 42.46 39.15 3krt s ILE 121 CO 0.26 -0.17 0.00 0.61 -2.11 0.00 0.00 174.94 173.52 3krt n GLY 122 N -2.15 3.94 0.11 1.50 0.00 -1.24 -1.27 105.19 106.08 3krt n GLY 122 Ca 0.04 -1.23 0.08 0.00 0.00 0.00 0.00 46.02 44.91 3krt n GLY 122 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3krt n SER 123 N 0.00 2.01 -4.22 1.61 7.64 -1.26 -1.36 113.62 118.04 3krt n SER 123 Ca 0.00 -2.82 -0.15 0.00 1.01 0.00 0.00 58.87 56.91 3krt n SER 123 Cb 0.00 -0.35 -0.11 0.00 -1.01 0.00 0.00 64.21 62.74 3krt n SER 123 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3krt s ASP 124 N -2.42 1.71 0.11 6.43 1.01 -1.26 -4.49 116.67 117.76 3krt s ASP 124 Ca 0.24 -0.87 -0.25 0.00 0.71 0.00 0.00 52.55 52.39 3krt s ASP 124 Cb 0.21 -0.02 0.08 0.00 1.01 0.00 0.00 42.92 44.20 3krt s ASP 124 CO 0.02 -0.25 0.66 -1.48 0.21 0.00 0.00 175.17 174.33 3krt s LEU 125 N -2.67 -0.54 -0.01 1.23 0.05 -1.26 -4.28 118.68 111.20 3krt s LEU 125 Ca 0.10 0.05 -0.00 0.00 0.05 0.00 0.00 54.13 54.32 3krt s LEU 125 Cb -0.02 2.48 0.01 0.00 -2.05 0.00 0.00 46.19 46.62 3krt s LEU 125 CO 0.01 -0.88 0.02 0.00 -0.55 0.00 0.00 176.35 174.95 3krt s ALA 126 N -3.45 0.01 0.00 1.48 0.00 -0.61 -2.52 121.76 116.67 3krt s ALA 126 Ca 0.01 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.13 3krt s ALA 126 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3krt s ALA 126 CO -0.11 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.01 3krt n GLY 127 N 3.54 -0.56 3.13 0.00 0.00 -0.70 -1.10 105.19 109.50 3krt n GLY 127 Ca -0.19 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 3krt n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3krt s VAL 128 N -3.00 1.54 0.18 1.61 1.01 0.47 -1.61 120.40 120.59 3krt s VAL 128 Ca 0.00 -0.75 -0.32 0.00 0.00 0.00 0.00 61.98 60.92 3krt s VAL 128 Cb 0.00 -1.34 -0.11 0.00 0.00 0.00 0.00 36.38 34.93 3krt s VAL 128 CO 0.00 0.44 1.60 -0.69 0.00 0.00 0.00 175.10 176.46 3krt s VAL 129 N 0.27 2.47 -0.27 2.92 1.01 -0.50 -0.28 120.40 126.03 3krt s VAL 129 Ca -0.10 0.34 -0.13 0.00 0.00 0.00 0.00 61.98 62.09 3krt s VAL 129 Cb -0.14 -3.22 -0.14 0.00 0.00 0.00 0.00 36.38 32.88 3krt s VAL 129 CO 0.04 0.03 -0.26 -0.11 0.00 0.00 0.00 175.10 174.80 3krt n LEU 130 N 3.90 2.10 -3.71 3.92 0.00 0.28 -0.74 117.00 122.75 3krt n LEU 130 Ca 0.14 0.28 -0.14 0.00 0.00 0.00 0.00 56.01 56.29 3krt n LEU 130 Cb 0.38 -0.85 -0.09 0.00 0.00 0.00 0.00 43.42 42.86 3krt n LEU 130 CO 0.62 0.60 0.11 -0.60 0.00 0.00 0.00 177.39 178.12 3krt s ARG 131 N -2.50 0.67 -0.02 1.96 6.06 -1.07 -3.95 118.95 120.11 3krt s ARG 131 Ca -0.37 0.12 0.05 0.00 -2.50 0.00 0.00 55.73 53.03 3krt s ARG 131 Cb 0.13 0.31 -0.03 0.00 0.06 0.00 0.00 34.95 35.42 3krt s ARG 131 CO 0.52 -0.17 -0.18 0.95 -2.50 0.00 0.00 175.30 173.93 3krt s THR 132 N -0.83 2.80 0.64 4.11 -4.23 -1.26 -1.14 115.64 115.73 3krt s THR 132 Ca -0.09 -0.92 -0.08 0.00 -1.18 0.00 0.00 61.69 59.41 3krt s THR 132 Cb -0.04 -2.10 0.14 0.00 1.34 0.00 0.00 72.50 71.85 3krt s THR 132 CO 0.04 0.52 0.88 0.61 -0.54 0.00 0.00 174.62 176.13 3krt n GLY 133 N 2.12 -0.75 3.65 3.99 0.00 -0.02 -4.96 105.19 109.21 3krt n GLY 133 Ca -0.17 -1.80 -0.48 0.00 0.00 0.00 0.00 46.02 43.58 3krt n GLY 133 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3krt n PRO 134 N -2.80 1.89 -1.01 1.61 -0.02 -1.25 -2.74 135.00 130.67 3krt n PRO 134 Ca 0.12 0.68 -0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3krt n PRO 134 Cb 0.42 -2.42 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3krt n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3krt n GLY 135 N 3.30 0.46 3.58 -1.23 0.00 -1.26 -2.02 105.19 108.01 3krt n GLY 135 Ca 0.18 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 3krt n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3krt s VAL 136 N -2.00 5.14 -0.02 1.61 1.01 -1.11 -4.77 120.40 120.27 3krt s VAL 136 Ca 0.00 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.37 3krt s VAL 136 Cb 0.00 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3krt s VAL 136 CO 0.00 0.01 0.01 0.59 0.00 0.00 0.00 175.10 175.71 3krt n ASN 137 N 5.43 4.53 0.04 3.32 3.02 -1.26 -4.71 115.26 125.64 3krt n ASN 137 Ca -0.08 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.60 3krt n ASN 137 Cb 0.50 0.65 0.40 0.00 -0.61 0.00 0.00 39.78 40.71 3krt n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3krt n ALA 138 N -1.98 2.67 -2.80 5.41 0.00 -1.26 -4.84 120.51 117.71 3krt n ALA 138 Ca -0.03 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 3krt n ALA 138 Cb 0.47 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.46 3krt n ALA 138 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3krt s TRP 139 N -3.06 0.85 0.08 0.00 0.52 -1.26 -5.16 118.94 110.91 3krt s TRP 139 Ca 0.11 -0.46 -0.10 0.00 0.02 0.00 0.00 56.10 55.67 3krt s TRP 139 Cb 0.16 -0.49 0.00 0.00 -1.15 0.00 0.00 33.47 31.99 3krt s TRP 139 CO 0.62 -0.03 0.22 1.14 0.02 0.00 0.00 176.95 178.92 3krt s GLN 140 N -1.53 0.85 0.28 4.98 -2.07 -1.26 -4.93 119.66 115.98 3krt s GLN 140 Ca -0.07 -0.86 -0.29 0.00 -1.82 0.00 0.00 55.36 52.32 3krt s GLN 140 Cb -0.10 0.35 -0.14 0.00 -1.09 0.00 0.00 33.01 32.04 3krt s GLN 140 CO 0.01 -0.28 1.10 0.00 -1.32 0.00 0.00 175.29 174.80 3krt n ALA 141 N 0.04 0.06 0.00 2.60 0.00 -1.26 -1.95 120.51 120.01 3krt n ALA 141 Ca -0.16 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3krt n ALA 141 Cb 0.62 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.99 3krt n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3krt n GLY 142 N 1.31 1.73 3.75 0.00 0.00 0.08 -4.35 105.19 107.72 3krt n GLY 142 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3krt n GLY 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3krt s ASP 143 N -2.00 6.95 -0.39 1.61 1.01 -0.82 -4.73 116.67 118.30 3krt s ASP 143 Ca 0.00 2.43 -0.18 0.00 0.71 0.00 0.00 52.55 55.51 3krt s ASP 143 Cb 0.00 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.32 3krt s ASP 143 CO 0.00 -0.44 0.52 -1.61 0.21 0.00 0.00 175.17 173.85 3krt s GLU 144 N -0.80 3.38 0.16 8.23 2.02 -1.26 -1.40 118.70 129.04 3krt s GLU 144 Ca 0.52 -0.39 0.07 0.00 0.02 0.00 0.00 54.97 55.19 3krt s GLU 144 Cb -0.36 -3.89 -0.04 0.00 0.10 0.00 0.00 34.13 29.94 3krt s GLU 144 CO 0.42 -0.80 -0.14 0.14 0.02 0.00 0.00 175.26 174.90 3krt s VAL 145 N 2.43 1.53 0.33 2.63 -7.23 -0.64 -1.04 120.40 118.41 3krt s VAL 145 Ca 0.18 -1.99 0.09 0.00 -1.81 0.00 0.00 61.98 58.45 3krt s VAL 145 Cb -0.16 -1.82 -0.06 0.00 0.56 0.00 0.00 36.38 34.90 3krt s VAL 145 CO 0.15 -0.52 -0.11 0.68 -0.31 0.00 0.00 175.10 174.99 3krt s VAL 146 N -2.63 2.19 -0.00 1.32 -7.23 0.40 -1.73 120.40 112.72 3krt s VAL 146 Ca 0.16 -2.22 0.08 0.00 -1.81 0.00 0.00 61.98 58.19 3krt s VAL 146 Cb -0.02 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 3krt s VAL 146 CO 0.05 -0.24 -0.25 0.00 -0.31 0.00 0.00 175.10 174.34 3krt s ALA 147 N -2.65 2.06 0.58 1.32 0.00 -1.05 -0.62 121.76 121.41 3krt s ALA 147 Ca 0.32 -1.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 3krt s ALA 147 Cb 0.02 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.65 3krt s ALA 147 CO 0.16 0.50 0.88 -3.38 0.00 0.00 0.00 175.76 173.92 3krt s HIS 148 N -0.64 3.23 -1.70 0.00 -3.43 0.17 -4.43 115.29 108.49 3krt s HIS 148 Ca 0.10 0.58 0.20 0.00 -0.80 0.00 0.00 55.06 55.14 3krt s HIS 148 Cb -0.10 -2.72 0.61 0.00 -1.43 0.00 0.00 32.58 28.94 3krt s HIS 148 CO -0.00 -0.81 1.51 0.00 -2.00 0.00 0.00 174.74 173.44 3krt s LEU 150 N -1.12 4.10 -0.32 0.00 2.96 -1.26 -0.64 118.68 122.40 3krt s LEU 150 Ca 0.46 0.85 -0.06 0.00 -0.22 0.00 0.00 54.13 55.15 3krt s LEU 150 Cb 0.25 -2.95 0.03 0.00 0.50 0.00 0.00 46.19 44.01 3krt s LEU 150 CO 0.30 -0.36 0.09 -0.55 -1.32 0.00 0.00 176.35 174.51 3krt s SER 151 N 1.32 5.24 0.00 3.68 0.15 -0.39 -4.75 113.70 118.96 3krt s SER 151 Ca 0.30 -1.01 0.06 0.00 0.70 0.00 0.00 55.95 56.00 3krt s SER 151 Cb -0.16 -1.87 -0.02 0.00 -1.71 0.00 0.00 66.02 62.27 3krt s SER 151 CO 0.09 -0.28 -0.19 0.68 1.20 0.00 0.00 173.24 174.74 3krt s VAL 152 N 1.43 1.53 -0.05 4.45 -7.23 -1.26 -1.18 120.40 118.09 3krt s VAL 152 Ca -0.00 -0.91 -0.04 0.00 -1.81 0.00 0.00 61.98 59.22 3krt s VAL 152 Cb -0.19 -1.29 -0.28 0.00 0.56 0.00 0.00 36.38 35.19 3krt s VAL 152 CO 0.03 0.36 0.66 -0.33 -0.31 0.00 0.00 175.10 175.51 3krt h GLU 153 N 5.46 0.27 -1.63 4.82 4.39 -1.97 -3.49 114.58 122.44 3krt h GLU 153 Ca -0.39 -0.46 -0.32 0.00 0.34 0.00 0.00 59.36 58.53 3krt h GLU 153 Cb 1.15 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.91 3krt h GLU 153 CO 0.47 1.13 -0.36 1.28 -1.16 0.00 0.00 179.01 180.37 3krt n LEU 154 N -3.45 -1.48 0.05 1.33 4.77 -1.26 -4.89 117.00 112.06 3krt n LEU 154 Ca -0.23 0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 55.74 3krt n LEU 154 Cb 1.05 -2.34 -0.14 0.00 -2.33 0.00 0.00 43.42 39.67 3krt n LEU 154 CO 0.48 -0.45 -0.41 -0.08 -1.33 0.00 0.00 177.39 175.60 3krt h GLU 155 N 0.00 0.24 -7.12 3.23 4.81 -1.98 -3.45 114.58 110.30 3krt h GLU 155 Ca -0.36 -0.40 -0.51 0.00 -0.13 0.00 0.00 59.36 57.96 3krt h GLU 155 Cb 1.18 0.15 0.09 0.00 0.63 0.00 0.00 28.75 30.80 3krt h GLU 155 CO 0.46 1.08 0.42 0.45 -0.73 0.00 0.00 179.01 180.69 3krt s SER 156 N -6.92 5.42 0.35 1.04 0.15 -1.26 -4.95 113.70 107.53 3krt s SER 156 Ca -0.10 2.16 0.27 0.00 0.70 0.00 0.00 55.95 58.97 3krt s SER 156 Cb 0.07 -2.57 0.88 0.00 -1.71 0.00 0.00 66.02 62.69 3krt s SER 156 CO 0.84 -1.42 1.77 0.77 1.20 0.00 0.00 173.24 176.40 3krt h SER 157 N 0.77 0.00 -0.98 5.45 4.64 -2.00 -3.37 113.55 118.06 3krt h SER 157 Ca -0.49 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 60.98 3krt h SER 157 Cb 1.26 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.27 3krt h SER 157 CO 0.56 0.00 0.62 0.44 -0.87 0.00 0.00 176.83 177.57 3krt h ASP 158 N 0.00 0.82 -0.29 4.97 3.32 -1.92 -2.21 116.42 121.11 3krt h ASP 158 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3krt h ASP 158 Cb 0.64 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3krt h ASP 158 CO 0.00 0.39 0.00 0.61 -1.72 0.00 0.00 179.24 178.52 3krt n GLY 159 N -1.37 0.64 0.51 2.75 0.00 -1.26 -4.33 105.19 102.13 3krt n GLY 159 Ca 0.20 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.82 3krt n GLY 159 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3krt n HIS 160 N 0.55 0.37 -1.78 1.61 8.25 -0.83 -2.72 115.22 120.67 3krt n HIS 160 Ca 0.15 -0.18 0.05 0.00 -0.26 0.00 0.00 57.72 57.48 3krt n HIS 160 Cb 0.35 -0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.54 3krt n HIS 160 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3krt n ASN 161 N 0.30 1.25 0.00 0.41 5.15 -1.26 -5.02 115.26 116.09 3krt n ASN 161 Ca 0.09 -2.73 0.00 0.00 -0.60 0.00 0.00 54.58 51.34 3krt n ASN 161 Cb 0.23 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.12 3krt n ASN 161 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3krt n ASP 162 N -0.52 0.00 0.22 1.20 2.03 -1.13 -5.06 116.55 113.28 3krt n ASP 162 Ca 0.10 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.51 3krt n ASP 162 Cb 0.79 0.00 0.40 0.00 -0.72 0.00 0.00 41.12 41.59 3krt n ASP 162 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3krt h THR 163 N 0.00 0.45 0.00 5.18 2.02 -1.86 -2.47 112.91 116.23 3krt h THR 163 Ca 0.00 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.01 3krt h THR 163 Cb 0.00 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3krt h THR 163 CO 0.00 0.20 0.00 0.23 0.37 0.00 0.00 175.52 176.32 3krt n MET 164 N -3.29 0.05 0.00 6.66 2.81 -1.26 -2.02 117.12 120.07 3krt n MET 164 Ca 0.01 0.30 0.13 0.00 -1.81 0.00 0.00 57.70 56.33 3krt n MET 164 Cb 0.46 -1.50 0.33 0.00 -0.71 0.00 0.00 33.22 31.81 3krt n MET 164 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3krt n LEU 165 N -1.39 2.03 -4.69 4.03 4.32 -0.93 -4.91 117.00 115.46 3krt n LEU 165 Ca 0.02 -0.68 -0.42 0.00 -0.02 0.00 0.00 56.01 54.92 3krt n LEU 165 Cb 0.06 -0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 41.83 3krt n LEU 165 CO 0.06 0.34 1.37 -0.62 -1.22 0.00 0.00 177.39 177.32 3krt s ASP 166 N -2.06 6.56 0.51 -1.43 -1.08 -0.86 -4.22 116.67 114.08 3krt s ASP 166 Ca 0.32 2.55 0.30 0.00 -0.52 0.00 0.00 52.55 55.20 3krt s ASP 166 Cb 0.20 -2.56 1.24 0.00 -1.46 0.00 0.00 42.92 40.34 3krt s ASP 166 CO 0.35 -0.92 1.94 1.55 0.52 0.00 0.00 175.17 178.61 3krt h PRO 167 N 8.51 0.00 -2.10 4.34 0.13 -1.91 -3.25 132.00 137.71 3krt h PRO 167 Ca -0.44 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.91 3krt h PRO 167 Cb 1.21 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 3krt h PRO 167 CO 0.94 0.10 0.99 0.39 -0.23 0.00 0.00 178.00 180.18 3krt n GLU 168 N -3.27 3.92 -3.87 0.86 1.02 -1.26 -4.99 120.64 113.05 3krt n GLU 168 Ca 0.00 -4.05 -0.29 0.00 -0.02 0.00 0.00 57.16 52.80 3krt n GLU 168 Cb 0.34 -2.35 -0.04 0.00 -0.02 0.00 0.00 31.44 29.37 3krt n GLU 168 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 3krt s GLN 169 N -4.17 3.47 0.01 3.49 -2.07 -1.23 -3.69 119.66 115.47 3krt s GLN 169 Ca 0.46 -0.46 0.00 0.00 -1.82 0.00 0.00 55.36 53.55 3krt s GLN 169 Cb 0.33 -2.96 -0.01 0.00 -1.09 0.00 0.00 33.01 29.27 3krt s GLN 169 CO -0.29 0.53 -0.02 1.03 -1.32 0.00 0.00 175.29 175.22 3krt s ARG 170 N -2.93 0.22 -0.34 9.60 0.52 -0.33 -5.03 118.95 120.66 3krt s ARG 170 Ca 0.36 -0.42 -0.19 0.00 -0.52 0.00 0.00 55.73 54.96 3krt s ARG 170 Cb -0.12 0.05 -0.00 0.00 0.52 0.00 0.00 34.95 35.40 3krt s ARG 170 CO 0.28 -0.03 0.56 0.42 0.02 0.00 0.00 175.30 176.56 3krt s ILE 171 N -0.98 4.97 0.06 1.52 -1.09 -1.26 -1.26 121.20 123.16 3krt s ILE 171 Ca -0.11 0.52 -0.36 0.00 -2.23 0.00 0.00 60.65 58.48 3krt s ILE 171 Cb -0.07 -3.99 -0.15 0.00 -1.58 0.00 0.00 42.46 36.67 3krt s ILE 171 CO -0.01 -0.21 1.54 1.87 -1.23 0.00 0.00 174.94 176.90 3krt n TRP 172 N 5.84 1.96 -0.25 3.97 -0.00 0.19 -0.55 117.44 128.60 3krt n TRP 172 Ca -0.03 0.41 0.00 0.00 -0.00 0.00 0.00 57.50 57.88 3krt n TRP 172 Cb 0.49 -2.47 0.00 0.00 -0.00 0.00 0.00 31.31 29.33 3krt n TRP 172 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3krt n GLY 173 N 3.25 2.11 1.02 5.87 0.00 -1.23 -4.38 105.19 111.84 3krt n GLY 173 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3krt n GLY 173 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3krt n PHE 174 N -2.00 -0.00 0.44 1.61 7.35 -0.66 -3.63 117.46 120.57 3krt n PHE 174 Ca 0.00 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.79 3krt n PHE 174 Cb 0.00 0.01 0.14 0.00 0.35 0.00 0.00 39.48 39.98 3krt n PHE 174 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3krt n GLU 175 N -3.03 2.02 -4.45 -4.13 1.02 0.29 -4.86 120.64 107.50 3krt n GLU 175 Ca 0.00 -1.90 -0.23 0.00 -0.02 0.00 0.00 57.16 55.01 3krt n GLU 175 Cb 0.45 -1.40 -0.10 0.00 -0.02 0.00 0.00 31.44 30.38 3krt n GLU 175 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3krt s THR 176 N -1.40 2.14 0.63 2.62 -4.23 -1.16 -4.76 115.64 109.48 3krt s THR 176 Ca 0.28 -2.28 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 3krt s THR 176 Cb 0.17 -2.33 0.14 0.00 1.34 0.00 0.00 72.50 71.82 3krt s THR 176 CO 0.25 -0.39 0.86 -3.20 -0.54 0.00 0.00 174.62 171.60 3krt n ASN 177 N -0.59 0.60 -2.86 3.99 2.85 -1.26 -3.49 115.26 114.51 3krt n ASN 177 Ca -0.06 -1.64 -0.16 0.00 -0.11 0.00 0.00 54.58 52.61 3krt n ASN 177 Cb 0.61 -0.61 0.06 0.00 1.24 0.00 0.00 39.78 41.09 3krt n ASN 177 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3krt n PHE 178 N -2.89 -1.95 -0.94 1.20 3.72 -1.18 -4.42 117.46 111.01 3krt n PHE 178 Ca 0.12 0.75 -0.28 0.00 -0.05 0.00 0.00 57.45 57.99 3krt n PHE 178 Cb 0.44 -4.21 0.24 0.00 -0.94 0.00 0.00 39.48 35.01 3krt n PHE 178 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3krt n GLY 179 N -1.39 -2.87 0.01 1.37 0.00 -0.07 -3.02 105.19 99.22 3krt n GLY 179 Ca -0.10 -1.47 0.13 0.00 0.00 0.00 0.00 46.02 44.58 3krt n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krt n GLY 180 N -4.42 -1.41 2.91 -0.02 0.00 -0.47 -4.43 105.19 97.35 3krt n GLY 180 Ca 0.14 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3krt n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3krt n LEU 181 N -1.58 6.48 -3.57 0.99 4.77 -0.40 -4.59 117.00 119.11 3krt n LEU 181 Ca 0.06 -4.22 0.03 0.00 -0.03 0.00 0.00 56.01 51.85 3krt n LEU 181 Cb 0.35 -1.64 -0.00 0.00 -2.33 0.00 0.00 43.42 39.80 3krt n LEU 181 CO 0.31 1.01 1.20 0.00 -1.33 0.00 0.00 177.39 178.57 3krt s ALA 182 N 2.73 -2.45 0.14 -1.18 0.00 -1.26 -0.84 121.76 118.90 3krt s ALA 182 Ca 0.46 1.04 0.11 0.00 0.00 0.00 0.00 51.96 53.57 3krt s ALA 182 Cb 0.11 0.18 0.16 0.00 0.00 0.00 0.00 23.12 23.57 3krt s ALA 182 CO -0.04 -1.00 1.49 0.93 0.00 0.00 0.00 175.76 177.13 3krt h GLU 183 N 2.00 0.00 -4.97 0.00 5.08 -1.41 -3.42 114.58 111.86 3krt h GLU 183 Ca -0.30 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.69 3krt h GLU 183 Cb 1.19 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.20 3krt h GLU 183 CO 0.29 0.70 -0.77 0.42 -1.00 0.00 0.00 179.01 178.65 3krt s ILE 184 N -3.19 0.85 0.06 3.13 -1.09 -1.26 -1.08 121.20 118.63 3krt s ILE 184 Ca 0.01 -0.97 -0.00 0.00 -2.23 0.00 0.00 60.65 57.45 3krt s ILE 184 Cb 0.11 -0.82 -0.04 0.00 -1.58 0.00 0.00 42.46 40.13 3krt s ILE 184 CO 0.77 -0.13 -0.04 0.00 -1.23 0.00 0.00 174.94 174.30 3krt s ALA 185 N -0.98 0.63 -0.18 9.38 0.00 -0.10 -4.87 121.76 125.64 3krt s ALA 185 Ca -0.02 -1.21 -0.02 0.00 0.00 0.00 0.00 51.96 50.71 3krt s ALA 185 Cb -0.08 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 3krt s ALA 185 CO 0.01 -0.31 -0.09 -1.17 0.00 0.00 0.00 175.76 174.20 3krt s LEU 186 N -2.85 2.78 0.10 0.00 2.96 -1.17 -0.95 118.68 119.56 3krt s LEU 186 Ca 0.07 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 3krt s LEU 186 Cb 0.06 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 3krt s LEU 186 CO -0.08 0.05 -0.07 0.68 -1.32 0.00 0.00 176.35 175.62 3krt s VAL 187 N 1.03 0.75 0.59 1.68 -7.23 -0.84 -4.84 120.40 111.54 3krt s VAL 187 Ca -0.00 -1.94 -0.18 0.00 -1.81 0.00 0.00 61.98 58.05 3krt s VAL 187 Cb -0.15 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 3krt s VAL 187 CO -0.01 -0.85 1.15 -0.54 -0.31 0.00 0.00 175.10 174.54 3krt s LYS 188 N -3.79 3.08 0.48 4.82 1.02 -1.26 -0.32 119.74 123.77 3krt s LYS 188 Ca 0.12 1.65 0.27 0.00 0.02 0.00 0.00 55.97 58.03 3krt s LYS 188 Cb 0.05 -1.96 1.15 0.00 -0.52 0.00 0.00 37.83 36.54 3krt s LYS 188 CO -0.04 -1.08 1.92 0.66 -0.92 0.00 0.00 175.35 175.89 3krt h SER 189 N 0.82 0.00 -0.06 2.83 4.64 -0.69 -2.24 113.55 118.85 3krt h SER 189 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 3krt h SER 189 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3krt h SER 189 CO 0.55 0.16 0.01 -0.46 -0.87 0.00 0.00 176.83 176.23 3krt n ASN 190 N -3.40 1.64 -0.00 4.97 0.23 -1.26 -1.95 115.26 115.49 3krt n ASN 190 Ca -0.00 -2.10 0.06 0.00 -0.53 0.00 0.00 54.58 52.01 3krt n ASN 190 Cb 0.36 -0.52 -0.08 0.00 -2.08 0.00 0.00 39.78 37.46 3krt n ASN 190 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3krt n GLN 191 N 0.09 2.25 -2.95 -3.83 6.02 -0.84 -4.92 117.38 113.20 3krt n GLN 191 Ca 0.03 -0.03 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 3krt n GLN 191 Cb 0.37 -1.15 -0.05 0.00 1.02 0.00 0.00 30.24 30.43 3krt n GLN 191 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3krt s LEU 192 N -2.90 4.49 0.09 1.08 1.43 -0.82 -0.65 118.68 121.40 3krt s LEU 192 Ca 0.03 1.54 0.02 0.00 -1.03 0.00 0.00 54.13 54.69 3krt s LEU 192 Cb 0.09 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 3krt s LEU 192 CO 0.53 0.06 -0.07 -0.04 0.23 0.00 0.00 176.35 177.05 3krt s MET 193 N -0.34 0.81 0.28 1.70 -1.94 0.21 -4.95 119.30 115.07 3krt s MET 193 Ca 0.39 -1.25 -0.29 0.00 -1.71 0.00 0.00 55.69 52.83 3krt s MET 193 Cb -0.22 -0.28 -0.09 0.00 2.01 0.00 0.00 34.83 36.25 3krt s MET 193 CO 0.25 0.01 1.07 -1.25 -0.01 0.00 0.00 175.02 175.08 3krt s PRO 194 N -3.42 4.65 0.24 2.03 0.04 -1.26 -0.45 135.00 136.83 3krt s PRO 194 Ca 0.09 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 3krt s PRO 194 Cb 0.02 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.29 3krt s PRO 194 CO -0.03 0.25 1.49 0.21 0.04 0.00 0.00 177.00 178.95 3krt s LYS 195 N -1.46 4.23 0.17 4.56 2.20 -0.21 -4.55 119.74 124.69 3krt s LYS 195 Ca 0.45 2.36 -0.32 0.00 -0.36 0.00 0.00 55.97 58.09 3krt s LYS 195 Cb -0.30 -3.10 -0.11 0.00 -1.51 0.00 0.00 37.83 32.80 3krt s LYS 195 CO 0.39 -0.49 1.78 -2.14 -0.36 0.00 0.00 175.35 174.53 3krt s PRO 196 N -0.12 4.12 0.27 4.03 0.02 -1.26 -4.90 135.00 137.17 3krt s PRO 196 Ca 0.62 2.62 -0.04 0.00 0.02 0.00 0.00 61.00 64.22 3krt s PRO 196 Cb -0.43 -3.30 0.34 0.00 0.02 0.00 0.00 34.50 31.13 3krt s PRO 196 CO 0.42 -0.80 1.90 -0.44 -0.33 0.00 0.00 177.00 177.75 3krt h ASP 197 N 7.60 1.00 0.32 2.53 3.32 -1.93 -3.11 116.42 126.15 3krt h ASP 197 Ca -0.44 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3krt h ASP 197 Cb 1.21 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3krt h ASP 197 CO 0.96 0.79 0.00 0.00 -1.72 0.00 0.00 179.24 179.26 3krt n HIS 198 N -4.36 0.00 -4.15 4.55 1.44 -1.26 0.16 115.22 111.60 3krt n HIS 198 Ca 0.09 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.52 3krt n HIS 198 Cb 0.08 -0.16 -0.07 0.00 0.12 0.00 0.00 29.99 29.95 3krt n HIS 198 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3krt s LEU 199 N -2.33 3.45 0.87 2.39 1.43 -1.18 -4.48 118.68 118.84 3krt s LEU 199 Ca 0.36 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 3krt s LEU 199 Cb 0.21 -2.13 0.11 0.00 0.03 0.00 0.00 46.19 44.41 3krt s LEU 199 CO 0.41 0.12 1.11 -0.94 0.23 0.00 0.00 176.35 177.28 3krt s SER 200 N -2.69 3.79 0.13 2.29 1.04 -1.26 -3.77 113.70 113.22 3krt s SER 200 Ca 0.27 1.23 -0.23 0.00 0.48 0.00 0.00 55.95 57.70 3krt s SER 200 Cb -0.10 -1.90 -0.02 0.00 0.10 0.00 0.00 66.02 64.10 3krt s SER 200 CO 0.19 -2.41 1.65 -0.50 0.98 0.00 0.00 173.24 173.15 3krt h TRP 201 N -1.39 -0.54 -0.39 5.02 4.06 -1.60 0.12 115.95 121.23 3krt h TRP 201 Ca -0.49 0.03 -0.07 0.00 2.06 0.00 0.00 58.89 60.41 3krt h TRP 201 Cb 1.30 0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 29.69 3krt h TRP 201 CO 0.39 -0.28 -0.04 1.05 -3.56 0.00 0.00 178.44 175.99 3krt h GLU 202 N -0.26 0.65 -0.52 0.49 9.09 -1.89 -1.18 114.58 120.96 3krt h GLU 202 Ca 0.10 -0.17 -0.05 0.00 0.05 0.00 0.00 59.36 59.29 3krt h GLU 202 Cb 0.41 -0.08 -0.02 0.00 -1.65 0.00 0.00 28.75 27.41 3krt h GLU 202 CO -0.27 0.70 0.14 0.93 0.05 0.00 0.00 179.01 180.55 3krt h GLU 203 N 0.61 0.82 0.00 1.06 5.08 -1.80 -2.46 114.58 117.89 3krt h GLU 203 Ca 0.12 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3krt h GLU 203 Cb 0.45 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3krt h GLU 203 CO 0.02 0.78 -0.30 0.00 -1.00 0.00 0.00 179.01 178.50 3krt h ALA 204 N 1.01 1.23 0.00 3.43 0.00 -0.31 -2.86 119.26 121.75 3krt h ALA 204 Ca 0.16 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 3krt h ALA 204 Cb 0.32 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3krt h ALA 204 CO -0.00 0.38 -0.84 0.00 0.00 0.00 0.00 179.25 178.79 3krt h ALA 205 N 1.70 0.58 -0.61 0.00 0.00 -1.11 -3.39 119.26 116.42 3krt h ALA 205 Ca -0.00 -0.76 0.07 0.00 0.00 0.00 0.00 54.91 54.22 3krt h ALA 205 Cb 0.65 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3krt h ALA 205 CO 0.04 1.05 0.29 0.00 0.00 0.00 0.00 179.25 180.62 3krt h ALA 206 N 1.16 0.80 0.01 0.00 0.00 -1.20 -3.29 119.26 116.75 3krt h ALA 206 Ca -0.01 0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.69 3krt h ALA 206 Cb 1.52 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.30 3krt h ALA 206 CO 0.11 -0.09 -1.05 -1.35 0.00 0.00 0.00 179.25 176.87 3krt h PRO 207 N 0.52 0.65 0.00 0.00 0.11 -1.76 -3.44 132.00 128.08 3krt h PRO 207 Ca 0.29 -0.71 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3krt h PRO 207 Cb 0.27 0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3krt h PRO 207 CO -0.23 1.30 0.00 0.41 -0.21 0.00 0.00 178.00 179.27 3krt n GLY 208 N 1.08 0.00 0.39 -0.55 0.00 -1.24 0.15 105.19 105.03 3krt n GLY 208 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 3krt n GLY 208 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3krt h LEU 209 N 0.00 -1.21 -0.17 0.99 6.46 -1.85 -1.71 115.31 117.82 3krt h LEU 209 Ca 0.00 0.15 -0.22 0.00 -0.12 0.00 0.00 57.88 57.68 3krt h LEU 209 Cb 0.00 0.47 0.00 0.00 -0.73 0.00 0.00 40.66 40.40 3krt h LEU 209 CO 0.00 -0.45 -0.95 0.58 -0.62 0.00 0.00 178.44 177.00 3krt h VAL 210 N -0.56 1.41 -0.43 1.05 2.07 -1.70 -1.82 116.25 116.28 3krt h VAL 210 Ca 0.05 -2.49 -0.07 0.00 0.82 0.00 0.00 66.70 65.00 3krt h VAL 210 Cb 0.64 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 3krt h VAL 210 CO -0.30 0.74 -0.03 -1.13 0.02 0.00 0.00 177.57 176.87 3krt h ASN 211 N 0.21 0.76 0.00 0.57 -1.24 -0.23 -0.26 115.58 115.40 3krt h ASN 211 Ca -0.08 -0.32 -0.18 0.00 0.71 0.00 0.00 56.30 56.43 3krt h ASN 211 Cb 1.59 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 40.43 3krt h ASN 211 CO 0.16 0.90 -0.61 0.77 -1.29 0.00 0.00 177.43 177.37 3krt h SER 212 N 0.61 0.68 0.17 1.15 4.64 -1.32 -0.33 113.55 119.15 3krt h SER 212 Ca 0.12 -0.39 0.01 0.00 -0.47 0.00 0.00 61.79 61.06 3krt h SER 212 Cb 0.53 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3krt h SER 212 CO 0.03 1.13 -0.19 0.74 -0.87 0.00 0.00 176.83 177.66 3krt h THR 213 N 0.45 0.57 -0.84 2.95 2.02 -1.28 -1.71 112.91 115.07 3krt h THR 213 Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 3krt h THR 213 Cb 1.17 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 68.10 3krt h THR 213 CO 0.12 0.00 0.55 0.00 0.37 0.00 0.00 175.52 176.55 3krt h ALA 214 N 0.36 1.61 0.24 6.16 0.00 -0.83 -2.15 119.26 124.66 3krt h ALA 214 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3krt h ALA 214 Cb 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3krt h ALA 214 CO -0.06 0.25 -0.12 -0.92 0.00 0.00 0.00 179.25 178.39 3krt h TYR 215 N 0.89 -0.30 -0.92 0.00 3.20 -0.63 -1.76 116.97 117.45 3krt h TYR 215 Ca 0.37 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 3krt h TYR 215 Cb 0.27 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 3krt h TYR 215 CO -0.00 -0.14 0.55 -0.09 -1.64 0.00 0.00 178.16 176.84 3krt h ARG 216 N -0.40 1.25 -0.26 1.82 2.43 -1.11 0.26 114.38 118.37 3krt h ARG 216 Ca -0.03 -0.12 -0.15 0.00 -0.81 0.00 0.00 59.98 58.87 3krt h ARG 216 Cb 0.31 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3krt h ARG 216 CO 0.06 0.88 -0.41 0.37 -1.51 0.00 0.00 179.97 179.36 3krt h GLN 217 N 1.27 0.74 0.00 0.20 4.15 -1.22 -2.94 115.11 117.31 3krt h GLN 217 Ca 0.33 -0.44 -0.33 0.00 0.77 0.00 0.00 58.65 58.97 3krt h GLN 217 Cb -0.05 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.63 3krt h GLN 217 CO -0.06 1.07 -2.23 -0.11 -1.93 0.00 0.00 178.83 175.57 3krt n LEU 218 N -4.17 2.73 -0.10 -2.39 7.94 -0.68 -0.06 117.00 120.27 3krt n LEU 218 Ca -0.05 -0.04 -0.20 0.00 -1.11 0.00 0.00 56.01 54.61 3krt n LEU 218 Cb 0.54 -0.73 -0.12 0.00 0.53 0.00 0.00 43.42 43.64 3krt n LEU 218 CO 0.47 0.79 -1.22 0.52 -1.11 0.00 0.00 177.39 176.84 3krt n VAL 219 N -3.29 1.56 -1.92 1.96 0.31 0.81 -1.63 118.33 116.12 3krt n VAL 219 Ca -0.39 -0.55 -0.36 0.00 -0.01 0.00 0.00 64.34 63.03 3krt n VAL 219 Cb 0.89 -1.56 0.04 0.00 -0.91 0.00 0.00 33.84 32.30 3krt n VAL 219 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3krt s SER 220 N -6.76 5.02 0.31 4.52 0.15 -0.53 -4.04 113.70 112.37 3krt s SER 220 Ca -0.33 2.43 0.25 0.00 0.70 0.00 0.00 55.95 59.00 3krt s SER 220 Cb 0.09 -2.60 1.07 0.00 -1.71 0.00 0.00 66.02 62.87 3krt s SER 220 CO 0.62 -1.71 1.75 0.03 1.20 0.00 0.00 173.24 175.13 3krt h ARG 221 N 0.74 0.00 0.00 5.44 3.08 -1.93 -0.87 114.38 120.84 3krt h ARG 221 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3krt h ARG 221 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3krt h ARG 221 CO 0.54 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.53 3krt n ASN 222 N -2.35 0.50 0.00 7.04 3.02 -1.26 -4.76 115.26 117.45 3krt n ASN 222 Ca 0.01 0.56 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 3krt n ASN 222 Cb 0.21 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 3krt n ASN 222 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3krt n GLY 223 N 1.17 2.19 0.22 7.41 0.00 -0.65 -4.93 105.19 110.60 3krt n GLY 223 Ca 0.06 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.73 3krt n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krt h ALA 224 N 0.27 0.95 -5.99 4.61 0.00 -0.53 -3.48 119.26 115.08 3krt h ALA 224 Ca 0.00 -0.08 -0.38 0.00 0.00 0.00 0.00 54.91 54.44 3krt h ALA 224 Cb 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 17.79 17.88 3krt h ALA 224 CO 0.00 0.12 -0.88 0.41 0.00 0.00 0.00 179.25 178.89 3krt n GLY 225 N 0.81 -0.78 3.51 0.00 0.00 -0.42 -4.90 105.19 103.41 3krt n GLY 225 Ca 0.03 0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.98 3krt n GLY 225 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3krt n MET 226 N -3.99 0.84 -4.44 1.61 1.56 -0.65 -4.97 117.12 107.08 3krt n MET 226 Ca -0.16 0.30 -0.31 0.00 -0.27 0.00 0.00 57.70 57.26 3krt n MET 226 Cb 0.63 -1.59 -0.11 0.00 2.15 0.00 0.00 33.22 34.30 3krt n MET 226 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 3krt s LYS 227 N -1.51 2.25 0.43 2.12 1.02 -1.26 -4.97 119.74 117.82 3krt s LYS 227 Ca 0.62 -0.91 -0.26 0.00 0.02 0.00 0.00 55.97 55.44 3krt s LYS 227 Cb -0.69 -2.33 -0.09 0.00 -0.52 0.00 0.00 37.83 34.19 3krt s LYS 227 CO 0.58 0.55 1.36 0.00 -0.92 0.00 0.00 175.35 176.93 3krt n GLN 228 N 1.25 2.14 0.00 1.68 10.64 -1.24 -2.64 117.38 129.20 3krt n GLN 228 Ca -0.15 0.76 0.00 0.00 -1.83 0.00 0.00 57.00 55.78 3krt n GLN 228 Cb 0.52 -2.52 0.00 0.00 -0.86 0.00 0.00 30.24 27.38 3krt n GLN 228 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3krt n GLY 229 N 0.68 2.49 3.76 2.61 0.00 -0.35 -4.89 105.19 109.49 3krt n GLY 229 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3krt n GLY 229 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3krt s ASP 230 N -1.44 6.51 -0.34 1.61 1.01 -1.08 -4.58 116.67 118.36 3krt s ASP 230 Ca 0.00 2.87 -0.26 0.00 0.71 0.00 0.00 52.55 55.87 3krt s ASP 230 Cb 0.00 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.29 3krt s ASP 230 CO 0.00 -0.77 0.91 0.20 0.21 0.00 0.00 175.17 175.72 3krt s ASN 231 N 0.01 6.72 -0.24 0.27 0.01 -1.26 -0.56 114.94 119.90 3krt s ASN 231 Ca 0.55 0.69 -0.02 0.00 -0.71 0.00 0.00 52.86 53.37 3krt s ASN 231 Cb -0.44 -2.46 0.01 0.00 0.41 0.00 0.00 41.25 38.77 3krt s ASN 231 CO 0.54 -0.79 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.59 3krt s VAL 232 N 3.36 3.03 -0.25 1.60 1.01 -0.71 -0.93 120.40 127.50 3krt s VAL 232 Ca 0.38 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 3krt s VAL 232 Cb -0.13 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 3krt s VAL 232 CO 0.16 0.29 0.71 -0.22 0.00 0.00 0.00 175.10 176.05 3krt s LEU 233 N 1.38 4.07 -0.31 3.92 2.96 -0.36 0.15 118.68 130.49 3krt s LEU 233 Ca 0.03 0.84 0.01 0.00 -0.22 0.00 0.00 54.13 54.79 3krt s LEU 233 Cb -0.16 -2.99 0.07 0.00 0.50 0.00 0.00 46.19 43.62 3krt s LEU 233 CO -0.04 -0.43 -0.00 -0.63 -1.32 0.00 0.00 176.35 173.92 3krt s ILE 234 N 2.65 2.53 0.51 6.68 1.01 0.08 -0.30 121.20 134.35 3krt s ILE 234 Ca 0.30 -1.82 -0.21 0.00 0.00 0.00 0.00 60.65 58.92 3krt s ILE 234 Cb -0.15 -2.61 -0.06 0.00 0.01 0.00 0.00 42.46 39.64 3krt s ILE 234 CO 0.08 -0.28 1.16 0.26 0.00 0.00 0.00 174.94 176.17 3krt s TRP 235 N 1.09 2.73 -1.32 3.97 0.52 -1.22 0.45 118.94 125.16 3krt s TRP 235 Ca -0.01 1.53 -0.15 0.00 0.02 0.00 0.00 56.10 57.49 3krt s TRP 235 Cb -0.20 -3.37 0.01 0.00 -1.15 0.00 0.00 33.47 28.76 3krt s TRP 235 CO -0.05 -1.65 0.50 0.41 0.02 0.00 0.00 176.95 176.18 3krt n GLY 236 N 0.35 -0.56 0.19 0.98 0.00 -1.02 -4.67 105.19 100.47 3krt n GLY 236 Ca 0.10 0.28 0.01 0.00 0.00 0.00 0.00 46.02 46.41 3krt n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krt h ALA 237 N 1.06 1.33 -0.01 4.61 0.00 -1.40 -1.50 119.26 123.35 3krt h ALA 237 Ca -0.67 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 53.90 3krt h ALA 237 Cb 1.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3krt h ALA 237 CO 0.58 0.48 -0.02 -1.13 0.00 0.00 0.00 179.25 179.16 3krt n SER 238 N -4.10 1.30 -3.42 0.00 3.41 -1.26 -1.79 113.62 107.76 3krt n SER 238 Ca -0.02 -1.39 -0.30 0.00 -0.26 0.00 0.00 58.87 56.91 3krt n SER 238 Cb 0.41 0.01 0.26 0.00 -0.26 0.00 0.00 64.21 64.63 3krt n SER 238 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3krt n GLY 239 N 1.17 -3.19 0.34 5.00 0.00 -0.56 -1.57 105.19 106.37 3krt n GLY 239 Ca 0.19 -1.42 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 3krt n GLY 239 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3krt h GLY 240 N -3.00 -0.80 1.00 -0.02 0.00 -1.84 -0.25 103.07 98.16 3krt h GLY 240 Ca -0.40 0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 3krt h GLY 240 CO 0.25 -0.29 -0.22 -2.00 0.00 0.00 0.00 176.54 174.27 3krt h LEU 241 N -0.75 0.81 -1.50 3.11 5.85 -1.88 -3.15 115.31 117.80 3krt h LEU 241 Ca -0.06 -0.43 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 3krt h LEU 241 Cb 0.61 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3krt h LEU 241 CO 0.06 1.06 -0.25 1.23 -0.34 0.00 0.00 178.44 180.21 3krt h GLY 242 N 0.56 0.00 2.00 3.75 0.00 -1.61 -2.03 103.07 105.74 3krt h GLY 242 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3krt h GLY 242 CO 0.06 0.00 0.00 1.48 0.00 0.00 0.00 176.54 178.08 3krt h SER 243 N 0.00 0.00 0.08 0.19 4.64 -0.22 -1.06 113.55 117.18 3krt h SER 243 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.94 3krt h SER 243 Cb 0.53 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.57 3krt h SER 243 CO 0.03 0.00 -2.25 -1.22 -0.87 0.00 0.00 176.83 172.52 3krt n TYR 244 N -2.81 0.51 -0.35 4.77 4.01 -0.93 -3.97 117.16 118.39 3krt n TYR 244 Ca 0.03 0.12 0.03 0.00 -0.16 0.00 0.00 57.90 57.92 3krt n TYR 244 Cb 0.39 -1.07 0.18 0.00 -0.31 0.00 0.00 39.34 38.52 3krt n TYR 244 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3krt h ALA 245 N 0.19 1.36 -0.69 -0.72 0.00 -1.29 -0.94 119.26 117.16 3krt h ALA 245 Ca -0.50 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 3krt h ALA 245 Cb 1.99 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 3krt h ALA 245 CO -0.00 0.35 0.16 1.15 0.00 0.00 0.00 179.25 180.91 3krt h THR 246 N 1.08 1.26 -0.55 0.00 2.02 -1.39 -1.80 112.91 113.53 3krt h THR 246 Ca 0.43 -0.98 -0.11 0.00 0.77 0.00 0.00 66.41 66.52 3krt h THR 246 Cb 0.23 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3krt h THR 246 CO -0.19 0.37 -0.10 1.56 0.37 0.00 0.00 175.52 177.53 3krt h GLN 247 N 1.05 1.04 -0.62 6.66 4.20 -1.58 -2.19 115.11 123.68 3krt h GLN 247 Ca 0.22 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 3krt h GLN 247 Cb 0.38 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 3krt h GLN 247 CO 0.00 1.07 0.20 0.74 -0.67 0.00 0.00 178.83 180.17 3krt h PHE 248 N 0.93 0.99 -0.28 2.96 0.04 -0.96 0.22 116.94 120.83 3krt h PHE 248 Ca 0.15 -0.10 0.03 0.00 2.80 0.00 0.00 57.97 60.84 3krt h PHE 248 Cb 0.67 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 3krt h PHE 248 CO 0.05 0.81 0.10 0.00 -0.60 0.00 0.00 178.31 178.67 3krt h ALA 249 N 1.07 0.32 0.00 2.45 0.00 -1.21 0.47 119.26 122.36 3krt h ALA 249 Ca 0.20 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3krt h ALA 249 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3krt h ALA 249 CO -0.01 -0.30 -0.00 -0.07 0.00 0.00 0.00 179.25 178.87 3krt h LEU 250 N 0.23 -0.00 -1.56 0.00 3.38 -1.27 0.41 115.31 116.50 3krt h LEU 250 Ca 0.12 -0.56 0.05 0.00 0.09 0.00 0.00 57.88 57.59 3krt h LEU 250 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3krt h LEU 250 CO -0.12 0.56 0.37 0.00 0.09 0.00 0.00 178.44 179.34 3krt h ALA 251 N 0.43 1.83 -0.08 1.53 0.00 -0.59 -1.21 119.26 121.16 3krt h ALA 251 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3krt h ALA 251 Cb 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3krt h ALA 251 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3krt n GLY 252 N -1.49 -0.37 2.18 0.00 0.00 0.15 -4.90 105.19 100.76 3krt n GLY 252 Ca 0.07 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 3krt n GLY 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krt n GLY 253 N 0.95 0.63 2.72 -0.02 0.00 -0.46 -3.71 105.19 105.31 3krt n GLY 253 Ca 0.15 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 3krt n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krt n ALA 254 N 0.28 0.41 -3.92 4.61 0.00 0.14 -1.22 120.51 120.82 3krt n ALA 254 Ca -0.07 -1.41 -0.30 0.00 0.00 0.00 0.00 53.44 51.66 3krt n ALA 254 Cb 0.34 0.29 -0.14 0.00 0.00 0.00 0.00 19.45 19.94 3krt n ALA 254 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3krt s ASN 255 N -3.72 4.31 0.28 0.00 -0.87 0.28 -4.41 114.94 110.81 3krt s ASN 255 Ca 0.45 -2.62 -0.29 0.00 -1.57 0.00 0.00 52.86 48.82 3krt s ASN 255 Cb -0.03 -1.49 -0.10 0.00 -0.02 0.00 0.00 41.25 39.62 3krt s ASN 255 CO 0.29 -0.29 1.26 -2.16 -2.57 0.00 0.00 177.10 173.63 3krt s PRO 256 N 0.27 4.43 -0.42 -0.60 0.04 -1.26 -1.74 135.00 135.72 3krt s PRO 256 Ca 0.15 2.07 -0.08 0.00 0.04 0.00 0.00 61.00 63.19 3krt s PRO 256 Cb -0.23 -3.14 0.09 0.00 0.04 0.00 0.00 34.50 31.26 3krt s PRO 256 CO -0.04 -0.12 0.25 0.42 0.04 0.00 0.00 177.00 177.56 3krt s ILE 257 N -0.75 3.98 -0.10 0.56 -1.09 0.39 -4.36 121.20 119.83 3krt s ILE 257 Ca 0.50 -1.60 -0.21 0.00 -2.23 0.00 0.00 60.65 57.11 3krt s ILE 257 Cb -0.37 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 3krt s ILE 257 CO 0.46 -0.57 0.62 0.00 -1.23 0.00 0.00 174.94 174.22 3krt s VAL 259 N 0.85 4.74 0.21 0.00 1.01 0.17 -1.04 120.40 126.34 3krt s VAL 259 Ca 0.33 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.29 3krt s VAL 259 Cb -0.17 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3krt s VAL 259 CO 0.15 0.45 -0.02 0.68 0.00 0.00 0.00 175.10 176.36 3krt s VAL 260 N 0.48 1.00 -0.29 2.92 -7.23 -0.28 -1.58 120.40 115.41 3krt s VAL 260 Ca 0.03 -2.03 0.11 0.00 -1.81 0.00 0.00 61.98 58.28 3krt s VAL 260 Cb -0.13 -2.23 0.25 0.00 0.56 0.00 0.00 36.38 34.83 3krt s VAL 260 CO 0.01 -0.41 1.18 -1.54 -0.31 0.00 0.00 175.10 174.03 3krt n SER 261 N -0.35 2.68 -3.47 4.85 3.41 -1.26 -1.31 113.62 118.16 3krt n SER 261 Ca -0.06 -2.47 -0.13 0.00 -0.26 0.00 0.00 58.87 55.94 3krt n SER 261 Cb 0.63 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 3krt n SER 261 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3krt s SER 262 N -1.65 -0.55 0.35 4.04 1.04 -1.26 -4.63 113.70 111.03 3krt s SER 262 Ca 0.22 0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.82 3krt s SER 262 Cb 0.17 0.57 0.67 0.00 0.10 0.00 0.00 66.02 67.52 3krt s SER 262 CO 0.06 -0.86 1.99 -0.65 0.98 0.00 0.00 173.24 174.75 3krt h PRO 263 N 2.31 0.81 -0.80 4.02 0.11 -1.99 -1.04 132.00 135.41 3krt h PRO 263 Ca -0.32 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 3krt h PRO 263 Cb 1.26 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3krt h PRO 263 CO 0.39 0.54 0.33 0.37 -0.21 0.00 0.00 178.00 179.42 3krt h GLN 264 N 0.83 1.18 -0.59 1.05 4.15 -2.00 -1.55 115.11 118.18 3krt h GLN 264 Ca 0.27 -0.20 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 3krt h GLN 264 Cb 0.05 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 3krt h GLN 264 CO -0.07 0.95 0.10 0.87 -1.93 0.00 0.00 178.83 178.74 3krt h LYS 265 N 1.16 0.98 -0.55 1.69 1.57 -1.87 -2.67 116.57 116.88 3krt h LYS 265 Ca 0.27 -0.26 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3krt h LYS 265 Cb 0.19 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 3krt h LYS 265 CO -0.02 0.93 0.17 0.00 -0.57 0.00 0.00 179.45 179.95 3krt h ALA 266 N 1.01 0.67 -0.52 3.86 0.00 -0.87 -2.27 119.26 121.14 3krt h ALA 266 Ca 0.18 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3krt h ALA 266 Cb 0.42 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3krt h ALA 266 CO 0.01 -0.24 0.20 0.93 0.00 0.00 0.00 179.25 180.14 3krt h GLU 267 N 0.33 0.75 -0.49 0.00 4.39 -1.03 -0.59 114.58 117.94 3krt h GLU 267 Ca 0.28 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.79 3krt h GLU 267 Cb 0.35 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3krt h GLU 267 CO -0.31 0.63 0.01 0.82 -1.16 0.00 0.00 179.01 179.00 3krt h ILE 268 N 0.74 1.24 -0.37 3.13 2.04 -1.22 -0.47 117.51 122.60 3krt h ILE 268 Ca 0.18 -1.00 -0.12 0.00 1.00 0.00 0.00 64.86 64.92 3krt h ILE 268 Cb 0.17 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3krt h ILE 268 CO -0.01 0.35 -0.25 0.00 0.00 0.00 0.00 178.15 178.24 3krt h ARG 270 N 0.66 0.54 -0.42 0.00 3.08 -0.89 -1.07 114.38 116.28 3krt h ARG 270 Ca 0.09 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 3krt h ARG 270 Cb 0.76 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 3krt h ARG 270 CO 0.06 0.67 -0.06 0.00 -1.07 0.00 0.00 179.97 179.57 3krt h ALA 271 N 1.36 1.12 0.00 0.04 0.00 -0.77 -2.59 119.26 118.42 3krt h ALA 271 Ca 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3krt h ALA 271 Cb 0.53 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3krt h ALA 271 CO 0.03 0.56 -0.11 0.52 0.00 0.00 0.00 179.25 180.25 3krt h MET 272 N 0.66 0.00 0.00 0.00 2.86 -1.07 -3.47 114.93 113.91 3krt h MET 272 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3krt h MET 272 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3krt h MET 272 CO 0.03 0.11 0.00 0.41 1.06 0.00 0.00 176.91 178.51 3krt n GLY 273 N -0.20 0.99 3.77 8.32 0.00 -0.98 -4.99 105.19 112.10 3krt n GLY 273 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3krt n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krt s ALA 274 N -2.00 3.18 -0.05 4.61 0.00 -0.43 -4.97 121.76 122.10 3krt s ALA 274 Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.71 3krt s ALA 274 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3krt s ALA 274 CO 0.00 -0.17 -0.03 0.39 0.00 0.00 0.00 175.76 175.95 3krt n GLU 275 N 0.32 1.17 -2.76 0.00 1.02 -1.26 -3.97 120.64 115.16 3krt n GLU 275 Ca 0.03 0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.76 3krt n GLU 275 Cb 0.48 -1.10 -0.04 0.00 -0.02 0.00 0.00 31.44 30.76 3krt n GLU 275 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3krt s ALA 276 N -2.10 3.12 -0.05 0.62 0.00 -1.26 -5.02 121.76 117.07 3krt s ALA 276 Ca -0.05 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.86 3krt s ALA 276 Cb 0.02 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3krt s ALA 276 CO 0.13 -2.45 -0.15 0.42 0.00 0.00 0.00 175.76 173.71 3krt s ILE 277 N 4.24 1.31 -0.18 0.00 -1.09 -1.26 -1.52 121.20 122.70 3krt s ILE 277 Ca 0.35 -0.64 0.01 0.00 -2.23 0.00 0.00 60.65 58.14 3krt s ILE 277 Cb -0.11 -1.14 0.02 0.00 -1.58 0.00 0.00 42.46 39.65 3krt s ILE 277 CO 0.22 0.38 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.49 3krt s ILE 278 N 0.18 1.97 -0.70 2.92 1.01 -0.21 -4.96 121.20 121.42 3krt s ILE 278 Ca -0.06 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 59.48 3krt s ILE 278 Cb -0.12 -1.80 0.10 0.00 0.01 0.00 0.00 42.46 40.65 3krt s ILE 278 CO 0.02 0.51 0.92 -0.62 0.00 0.00 0.00 174.94 175.77 3krt s ASP 279 N 1.32 6.28 0.59 3.58 -1.08 -1.26 -1.12 116.67 124.98 3krt s ASP 279 Ca 0.05 -1.38 0.33 0.00 -0.52 0.00 0.00 52.55 51.03 3krt s ASP 279 Cb -0.13 -2.38 1.85 0.00 -1.46 0.00 0.00 42.92 40.80 3krt s ASP 279 CO -0.12 -1.25 2.22 0.08 0.52 0.00 0.00 175.17 176.62 3krt h ARG 280 N 9.26 0.00 0.06 4.34 0.11 -1.56 -0.49 114.38 126.11 3krt h ARG 280 Ca -0.19 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.89 3krt h ARG 280 Cb 1.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 3krt h ARG 280 CO 1.13 0.03 -0.03 -0.97 0.10 0.00 0.00 179.97 180.24 3krt h ASN 281 N 0.00 -0.07 -0.73 0.08 -1.24 -1.82 -1.63 115.58 110.17 3krt h ASN 281 Ca -0.00 -0.40 0.10 0.00 0.71 0.00 0.00 56.30 56.71 3krt h ASN 281 Cb 0.12 0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.14 3krt h ASN 281 CO 0.00 0.59 0.48 0.00 -1.29 0.00 0.00 177.43 177.22 3krt h ALA 282 N -0.51 1.89 0.00 1.57 0.00 -1.77 0.73 119.26 121.17 3krt h ALA 282 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3krt h ALA 282 Cb 0.47 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3krt h ALA 282 CO 0.01 -0.05 -0.09 0.93 0.00 0.00 0.00 179.25 180.05 3krt h GLU 283 N 0.59 0.00 -4.12 0.00 4.39 -1.18 -3.48 114.58 110.78 3krt h GLU 283 Ca 0.34 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.79 3krt h GLU 283 Cb 0.53 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.27 3krt h GLU 283 CO -0.12 0.09 -0.44 0.41 -1.16 0.00 0.00 179.01 177.79 3krt n GLY 284 N 0.69 -0.01 3.69 -3.84 0.00 0.25 -4.96 105.19 101.01 3krt n GLY 284 Ca 0.02 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3krt n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3krt s TYR 285 N -3.21 2.34 -0.64 1.61 2.02 -0.83 -4.95 117.35 113.70 3krt s TYR 285 Ca 0.33 0.16 0.05 0.00 -0.37 0.00 0.00 57.07 57.24 3krt s TYR 285 Cb -0.15 -4.08 0.17 0.00 -0.40 0.00 0.00 41.96 37.50 3krt s TYR 285 CO 0.46 -4.38 0.47 2.89 -1.57 0.00 0.00 175.55 173.43 3krt n ARG 286 N 5.47 1.51 0.30 -0.62 1.85 -1.26 -4.95 116.66 118.96 3krt n ARG 286 Ca 0.17 -4.22 0.18 0.00 -1.00 0.00 0.00 57.85 52.97 3krt n ARG 286 Cb 0.39 -2.15 0.94 0.00 -1.05 0.00 0.00 32.46 30.58 3krt n ARG 286 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 3krt h PHE 287 N 5.39 0.00 -3.24 2.89 0.04 -1.88 -3.39 116.94 116.76 3krt h PHE 287 Ca 0.18 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.28 3krt h PHE 287 Cb 0.78 0.00 -0.32 0.00 2.20 0.00 0.00 35.95 38.62 3krt h PHE 287 CO 0.60 0.04 -0.79 -1.58 -0.60 0.00 0.00 178.31 175.97 3krt s TRP 288 N -4.18 2.88 0.19 -0.55 0.52 -1.26 -0.63 118.94 115.90 3krt s TRP 288 Ca -0.03 -1.34 -0.10 0.00 0.02 0.00 0.00 56.10 54.64 3krt s TRP 288 Cb 0.13 -2.01 0.10 0.00 -1.15 0.00 0.00 33.47 30.55 3krt s TRP 288 CO 0.51 -0.69 1.74 -0.22 0.02 0.00 0.00 176.95 178.30 3krt h LYS 289 N 8.02 1.03 0.00 4.98 1.63 -0.47 -3.47 116.57 128.28 3krt h LYS 289 Ca -0.43 -0.20 -0.04 0.00 -0.85 0.00 0.00 60.65 59.13 3krt h LYS 289 Cb 1.15 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.61 3krt h LYS 289 CO 0.62 0.87 0.01 -0.40 -3.45 0.00 0.00 179.45 177.10 3krt n ASP 290 N -4.36 -0.45 0.08 4.20 5.68 -1.10 -5.00 116.55 115.60 3krt n ASP 290 Ca 0.05 -1.44 0.20 0.00 -0.50 0.00 0.00 54.79 53.10 3krt n ASP 290 Cb 0.19 0.78 0.75 0.00 -1.14 0.00 0.00 41.12 41.70 3krt n ASP 290 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3krt h GLU 291 N 0.00 0.00 0.00 0.11 4.11 -2.04 -3.00 114.58 113.76 3krt h GLU 291 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.35 3krt h GLU 291 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3krt h GLU 291 CO 0.10 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.27 3krt n ASN 292 N -3.98 1.03 -3.91 3.06 3.02 -1.26 -5.03 115.26 108.19 3krt n ASN 292 Ca 0.07 -1.07 -0.25 0.00 -0.03 0.00 0.00 54.58 53.30 3krt n ASN 292 Cb 0.55 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.55 3krt n ASN 292 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3krt s THR 293 N -0.07 0.90 0.43 3.41 2.01 -1.14 -5.09 115.64 116.08 3krt s THR 293 Ca 0.00 -0.24 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 3krt s THR 293 Cb 0.00 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 3krt s THR 293 CO 0.00 0.33 0.73 -1.10 -0.69 0.00 0.00 174.62 173.90 3krt s GLN 294 N 1.46 3.60 -0.52 4.92 -0.21 -1.26 0.16 119.66 127.80 3krt s GLN 294 Ca -0.01 0.18 -0.01 0.00 0.02 0.00 0.00 55.36 55.54 3krt s GLN 294 Cb -0.13 -2.44 0.14 0.00 1.00 0.00 0.00 33.01 31.58 3krt s GLN 294 CO -0.05 -0.09 0.31 0.34 -2.12 0.00 0.00 175.29 173.69 3krt s ASP 295 N -3.79 5.04 0.58 5.90 -1.08 0.20 -4.62 116.67 118.90 3krt s ASP 295 Ca 0.47 -2.60 0.32 0.00 -0.52 0.00 0.00 52.55 50.22 3krt s ASP 295 Cb -0.10 -1.79 1.78 0.00 -1.46 0.00 0.00 42.92 41.35 3krt s ASP 295 CO 0.39 -0.39 2.20 -0.65 0.52 0.00 0.00 175.17 177.24 3krt h PRO 296 N 7.27 0.00 -0.22 4.34 0.11 -1.96 0.15 132.00 141.69 3krt h PRO 296 Ca -0.06 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 3krt h PRO 296 Cb 0.97 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3krt h PRO 296 CO 0.69 0.04 0.01 0.87 -0.21 0.00 0.00 178.00 179.40 3krt h LYS 297 N 0.00 0.31 0.16 1.05 1.57 -1.98 -0.68 116.57 117.01 3krt h LYS 297 Ca -0.00 -0.05 -0.30 0.00 -1.87 0.00 0.00 60.65 58.43 3krt h LYS 297 Cb 0.15 -0.06 0.03 0.00 0.08 0.00 0.00 32.23 32.43 3krt h LYS 297 CO 0.01 0.34 -1.28 0.93 -0.57 0.00 0.00 179.45 178.87 3krt h GLU 298 N 0.31 0.59 -0.65 3.15 4.39 -1.05 -1.30 114.58 120.02 3krt h GLU 298 Ca 0.07 -0.85 0.12 0.00 0.34 0.00 0.00 59.36 59.04 3krt h GLU 298 Cb 0.20 0.29 -0.12 0.00 -0.10 0.00 0.00 28.75 29.02 3krt h GLU 298 CO 0.00 1.39 -0.32 -1.49 -1.16 0.00 0.00 179.01 177.44 3krt h TRP 299 N 0.21 -0.86 -0.57 4.33 6.55 -1.15 -1.33 115.95 123.13 3krt h TRP 299 Ca -0.21 0.07 -0.07 0.00 0.95 0.00 0.00 58.89 59.64 3krt h TRP 299 Cb 1.97 0.47 -0.02 0.00 -0.86 0.00 0.00 29.16 30.72 3krt h TRP 299 CO 0.12 -0.37 0.09 0.87 -1.05 0.00 0.00 178.44 178.10 3krt h LYS 300 N -0.12 0.91 -0.42 0.49 1.57 -0.95 -0.33 116.57 117.71 3krt h LYS 300 Ca 0.26 -0.22 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 3krt h LYS 300 Cb 0.55 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3krt h LYS 300 CO -0.72 0.85 -0.25 -0.09 -0.57 0.00 0.00 179.45 178.67 3krt h ARG 301 N 0.86 0.88 -0.56 3.15 2.43 -0.74 -0.36 114.38 120.05 3krt h ARG 301 Ca 0.18 -0.38 -0.09 0.00 -0.81 0.00 0.00 59.98 58.88 3krt h ARG 301 Cb 0.38 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3krt h ARG 301 CO 0.01 1.03 -0.01 0.35 -1.51 0.00 0.00 179.97 179.84 3krt h PHE 302 N 0.76 1.05 -0.62 2.20 3.57 -0.91 -2.54 116.94 120.44 3krt h PHE 302 Ca 0.09 -0.17 -0.09 0.00 3.53 0.00 0.00 57.97 61.34 3krt h PHE 302 Cb 0.80 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3krt h PHE 302 CO 0.05 0.94 0.05 0.78 -2.23 0.00 0.00 178.31 177.90 3krt h GLY 303 N 0.99 1.14 1.21 2.40 0.00 -0.51 -1.74 103.07 106.56 3krt h GLY 303 Ca 0.16 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 3krt h GLY 303 CO 0.03 0.73 0.27 1.70 0.00 0.00 0.00 176.54 179.27 3krt h LYS 304 N 0.98 1.00 -0.42 4.80 3.64 -0.91 -1.64 116.57 124.02 3krt h LYS 304 Ca 0.18 -0.17 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 3krt h LYS 304 Cb 0.49 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3krt h LYS 304 CO 0.02 0.82 -0.11 -0.09 -2.27 0.00 0.00 179.45 177.82 3krt h ARG 305 N 0.99 0.82 -0.43 1.90 9.65 -1.17 -1.28 114.38 124.85 3krt h ARG 305 Ca 0.23 -0.32 0.03 0.00 -1.10 0.00 0.00 59.98 58.83 3krt h ARG 305 Cb 0.19 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 3krt h ARG 305 CO -0.02 0.94 0.22 0.82 2.80 0.00 0.00 179.97 184.73 3krt h ILE 306 N 0.64 0.99 0.00 1.20 2.04 -0.99 -2.41 117.51 118.97 3krt h ILE 306 Ca 0.11 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3krt h ILE 306 Cb 0.64 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3krt h ILE 306 CO 0.04 0.08 -0.26 0.03 0.00 0.00 0.00 178.15 178.05 3krt h ARG 307 N 0.45 0.00 -0.28 2.37 3.08 -1.14 -1.72 114.38 117.13 3krt h ARG 307 Ca 0.18 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 3krt h ARG 307 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3krt h ARG 307 CO -0.12 0.26 -0.20 0.93 -1.07 0.00 0.00 179.97 179.77 3krt h GLU 308 N 0.00 0.52 0.03 0.04 5.08 -0.75 0.74 114.58 120.23 3krt h GLU 308 Ca -0.00 -0.18 -0.22 0.00 -1.00 0.00 0.00 59.36 57.95 3krt h GLU 308 Cb 0.54 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3krt h GLU 308 CO 0.03 0.69 -1.05 -0.07 -1.00 0.00 0.00 179.01 177.61 3krt h LEU 309 N 0.47 0.12 -1.18 1.33 4.07 -0.97 -3.33 115.31 115.80 3krt h LEU 309 Ca 0.08 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.91 3krt h LEU 309 Cb 0.61 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.31 3krt h LEU 309 CO 0.04 1.08 -0.36 0.35 -1.08 0.00 0.00 178.44 178.48 3krt n THR 310 N -3.41 0.00 -2.64 0.22 -2.24 -0.73 -4.96 114.28 100.52 3krt n THR 310 Ca -0.02 -0.31 -0.04 0.00 -2.27 0.00 0.00 64.05 61.41 3krt n THR 310 Cb 0.95 1.26 0.01 0.00 -2.10 0.00 0.00 70.33 70.46 3krt n THR 310 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3krt n GLY 311 N 1.40 0.68 1.00 3.38 0.00 -0.90 -4.11 105.19 106.64 3krt n GLY 311 Ca 0.11 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3krt n GLY 311 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krt n GLY 312 N -0.77 0.72 3.78 -0.02 0.00 0.25 -5.03 105.19 104.13 3krt n GLY 312 Ca -0.00 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 3krt n GLY 312 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3krt s GLU 313 N -0.78 3.04 0.78 1.61 2.02 -1.26 -4.99 118.70 119.12 3krt s GLU 313 Ca 0.00 -0.52 -0.04 0.00 0.02 0.00 0.00 54.97 54.43 3krt s GLU 313 Cb 0.00 -2.84 0.14 0.00 0.10 0.00 0.00 34.13 31.53 3krt s GLU 313 CO 0.00 0.63 1.07 -0.51 0.02 0.00 0.00 175.26 176.47 3krt s ASP 314 N -1.87 4.07 -0.15 -0.19 1.01 -1.26 -4.32 116.67 113.96 3krt s ASP 314 Ca 0.24 -0.20 -0.22 0.00 0.71 0.00 0.00 52.55 53.08 3krt s ASP 314 Cb -0.12 -0.11 -0.03 0.00 1.01 0.00 0.00 42.92 43.67 3krt s ASP 314 CO 0.16 -2.06 0.69 -0.63 0.21 0.00 0.00 175.17 173.54 3krt s ILE 315 N -3.32 5.01 0.10 0.77 -1.09 -1.15 -4.74 121.20 116.79 3krt s ILE 315 Ca 0.68 1.35 -0.13 0.00 -2.23 0.00 0.00 60.65 60.32 3krt s ILE 315 Cb -0.05 -4.01 -0.12 0.00 -1.58 0.00 0.00 42.46 36.70 3krt s ILE 315 CO 0.46 0.15 1.35 0.44 -1.23 0.00 0.00 174.94 176.11 3krt h ASP 316 N 7.18 0.91 -3.24 3.58 3.32 -1.39 0.15 116.42 126.93 3krt h ASP 316 Ca -0.34 -0.57 -0.33 0.00 0.02 0.00 0.00 57.03 55.81 3krt h ASP 316 Cb 1.16 -0.26 -0.37 0.00 0.22 0.00 0.00 39.33 40.08 3krt h ASP 316 CO 0.78 1.32 -0.69 -0.63 -1.72 0.00 0.00 179.24 178.30 3krt s ILE 317 N -3.97 -0.16 -0.17 0.35 1.01 -1.00 -1.55 121.20 115.70 3krt s ILE 317 Ca -0.11 0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.75 3krt s ILE 317 Cb 0.09 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.31 3krt s ILE 317 CO 0.88 0.16 0.40 -0.69 0.00 0.00 0.00 174.94 175.69 3krt s VAL 318 N 2.09 5.21 -0.88 2.92 1.01 -0.21 -1.22 120.40 129.33 3krt s VAL 318 Ca 0.03 0.75 -0.16 0.00 0.00 0.00 0.00 61.98 62.59 3krt s VAL 318 Cb -0.12 -3.74 0.18 0.00 0.00 0.00 0.00 36.38 32.70 3krt s VAL 318 CO -0.04 0.29 0.94 0.12 0.00 0.00 0.00 175.10 176.41 3krt s PHE 319 N 0.98 3.49 0.36 5.22 5.36 0.59 -0.54 117.98 133.43 3krt s PHE 319 Ca 0.20 -1.74 -0.08 0.00 -0.96 0.00 0.00 56.93 54.36 3krt s PHE 319 Cb -0.14 -4.03 -0.06 0.00 -0.34 0.00 0.00 43.02 38.45 3krt s PHE 319 CO 0.08 -1.21 0.68 -1.21 -1.46 0.00 0.00 175.22 172.09 3krt s GLU 320 N 1.26 3.71 0.00 10.12 0.41 0.64 -3.41 118.70 131.43 3krt s GLU 320 Ca 0.25 0.26 0.00 0.00 -0.41 0.00 0.00 54.97 55.06 3krt s GLU 320 Cb -0.08 -2.50 0.00 0.00 -1.78 0.00 0.00 34.13 29.77 3krt s GLU 320 CO -0.09 0.06 0.00 -2.39 -0.49 0.00 0.00 175.26 172.35 3krt n HIS 321 N -1.19 0.00 0.21 1.61 1.44 -1.26 -3.33 115.22 112.70 3krt n HIS 321 Ca 0.01 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.79 3krt n HIS 321 Cb 0.54 0.00 0.44 0.00 0.12 0.00 0.00 29.99 31.09 3krt n HIS 321 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 3krt h PRO 322 N 0.00 0.00 0.00 -1.40 0.11 -1.92 -0.40 132.00 128.39 3krt h PRO 322 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3krt h PRO 322 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3krt h PRO 322 CO 0.00 0.30 0.00 0.41 -0.21 0.00 0.00 178.00 178.50 3krt n GLY 323 N -0.07 0.80 0.24 -0.55 0.00 -1.26 0.07 105.19 104.42 3krt n GLY 323 Ca -0.01 -0.85 0.01 0.00 0.00 0.00 0.00 46.02 45.17 3krt n GLY 323 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3krt h ARG 324 N 0.00 0.37 -0.80 1.61 2.43 -1.58 0.13 114.38 116.53 3krt h ARG 324 Ca 0.00 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3krt h ARG 324 Cb 0.00 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 3krt h ARG 324 CO 0.00 0.24 0.52 1.49 -1.51 0.00 0.00 179.97 180.72 3krt h GLU 325 N 0.38 0.86 0.00 0.20 4.22 -1.83 -3.29 114.58 115.11 3krt h GLU 325 Ca 0.32 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.71 3krt h GLU 325 Cb 0.43 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3krt h GLU 325 CO -0.34 0.57 -0.89 0.25 -2.18 0.00 0.00 179.01 176.42 3krt n THR 326 N -4.48 0.00 -0.31 0.32 -2.24 -0.73 -4.71 114.28 102.14 3krt n THR 326 Ca 0.12 -0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 61.61 3krt n THR 326 Cb 0.20 0.67 0.11 0.00 -2.10 0.00 0.00 70.33 69.21 3krt n THR 326 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3krt h PHE 327 N 0.00 1.18 -0.99 4.78 3.57 -0.85 0.71 116.94 125.35 3krt h PHE 327 Ca 0.00 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.50 3krt h PHE 327 Cb 0.31 -0.38 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 3krt h PHE 327 CO 0.00 0.82 0.65 0.78 -2.23 0.00 0.00 178.31 178.33 3krt h GLY 328 N 1.21 1.44 1.34 2.40 0.00 -1.80 -0.54 103.07 107.13 3krt h GLY 328 Ca 0.30 -0.50 -0.24 0.00 0.00 0.00 0.00 47.33 46.89 3krt h GLY 328 CO -0.05 0.43 -0.94 0.00 0.00 0.00 0.00 176.54 175.98 3krt h ALA 329 N 1.42 0.27 -0.59 3.60 0.00 -1.52 -2.16 119.26 120.28 3krt h ALA 329 Ca 0.39 -0.68 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3krt h ALA 329 Cb -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3krt h ALA 329 CO -0.12 0.73 0.39 0.77 0.00 0.00 0.00 179.25 181.02 3krt h SER 330 N 0.37 0.67 -0.38 0.00 0.02 -0.57 -1.15 113.55 112.50 3krt h SER 330 Ca -0.09 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 3krt h SER 330 Cb 1.58 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.94 3krt h SER 330 CO 0.18 0.48 -0.09 0.58 -1.14 0.00 0.00 176.83 176.84 3krt h VAL 331 N 0.79 1.28 -0.50 2.27 2.07 -1.10 -3.04 116.25 118.02 3krt h VAL 331 Ca 0.22 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3krt h VAL 331 Cb -0.08 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3krt h VAL 331 CO -0.05 0.39 0.27 0.15 0.02 0.00 0.00 177.57 178.34 3krt h PHE 332 N 0.53 0.69 -0.00 1.57 3.57 -1.02 -3.04 116.94 119.24 3krt h PHE 332 Ca 0.10 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3krt h PHE 332 Cb 0.60 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.12 3krt h PHE 332 CO 0.05 0.52 -0.12 1.33 -2.23 0.00 0.00 178.31 177.86 3krt n VAL 333 N -4.65 0.00 -2.15 1.41 0.24 -0.47 -4.85 118.33 107.86 3krt n VAL 333 Ca 0.02 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 3krt n VAL 333 Cb 0.09 -0.22 -0.02 0.00 -1.47 0.00 0.00 33.84 32.21 3krt n VAL 333 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3krt s THR 334 N -2.69 2.84 0.66 3.34 2.01 -1.15 -2.92 115.64 117.73 3krt s THR 334 Ca 0.23 0.81 -0.18 0.00 0.31 0.00 0.00 61.69 62.86 3krt s THR 334 Cb 0.19 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 3krt s THR 334 CO 0.52 0.18 1.17 -1.14 -0.69 0.00 0.00 174.62 174.65 3krt n ARG 335 N 1.17 0.93 -1.63 4.92 0.63 0.53 -4.78 116.66 118.44 3krt n ARG 335 Ca 0.01 0.37 -0.54 0.00 -0.92 0.00 0.00 57.85 56.77 3krt n ARG 335 Cb 0.42 -2.40 -0.06 0.00 0.45 0.00 0.00 32.46 30.87 3krt n ARG 335 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3krt n LYS 336 N -1.76 1.09 -0.90 -0.14 5.02 -1.26 -0.91 118.16 119.29 3krt n LYS 336 Ca 0.15 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 3krt n LYS 336 Cb 0.48 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 3krt n LYS 336 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3krt n GLY 337 N 3.03 0.67 3.97 0.72 0.00 0.11 -5.00 105.19 108.69 3krt n GLY 337 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 3krt n GLY 337 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3krt s GLY 338 N -1.97 1.77 -0.05 -0.02 0.00 -0.09 -4.84 107.32 102.12 3krt s GLY 338 Ca 0.00 -1.57 0.06 0.00 0.00 0.00 0.00 44.72 43.20 3krt s GLY 338 CO 0.00 -0.94 -0.23 -1.59 0.00 0.00 0.00 173.10 170.34 3krt s THR 339 N -3.38 1.86 -0.24 0.90 2.01 -0.60 -1.55 115.64 114.65 3krt s THR 339 Ca 0.69 -0.97 -0.06 0.00 0.31 0.00 0.00 61.69 61.66 3krt s THR 339 Cb -0.05 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 3krt s THR 339 CO 0.47 0.52 0.04 -0.63 -0.69 0.00 0.00 174.62 174.33 3krt s ILE 340 N -0.15 4.07 -0.11 1.82 1.09 0.37 -1.04 121.20 127.26 3krt s ILE 340 Ca -0.02 -0.25 -0.01 0.00 -1.10 0.00 0.00 60.65 59.26 3krt s ILE 340 Cb -0.13 -2.89 -0.03 0.00 -1.06 0.00 0.00 42.46 38.35 3krt s ILE 340 CO 0.03 0.36 -0.05 0.28 -0.10 0.00 0.00 174.94 175.46 3krt s THR 341 N 1.55 3.79 -0.04 2.92 -1.32 0.30 0.43 115.64 123.28 3krt s THR 341 Ca 0.06 -0.42 0.01 0.00 -1.21 0.00 0.00 61.69 60.13 3krt s THR 341 Cb -0.15 -2.60 0.02 0.00 -1.51 0.00 0.00 72.50 68.26 3krt s THR 341 CO 0.02 0.55 -0.05 0.28 -2.21 0.00 0.00 174.62 173.21 3krt s THR 342 N -0.29 0.58 0.00 5.08 -1.32 0.40 -0.26 115.64 119.84 3krt s THR 342 Ca 0.04 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 3krt s THR 342 Cb -0.13 -0.59 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 3krt s THR 342 CO 0.02 0.23 0.40 0.00 -2.21 0.00 0.00 174.62 173.06 3krt s ALA 344 N -0.03 -1.67 -0.41 0.00 0.00 -1.26 -4.85 121.76 113.53 3krt s ALA 344 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 51.96 52.04 3krt s ALA 344 Cb 0.00 0.66 0.32 0.00 0.00 0.00 0.00 23.12 24.10 3krt s ALA 344 CO 0.00 -1.05 0.83 0.43 0.00 0.00 0.00 175.76 175.96 3krt n SER 345 N -0.76 -0.54 -0.03 0.00 7.64 -1.02 -4.17 113.62 114.74 3krt n SER 345 Ca -0.05 -3.19 0.02 0.00 1.01 0.00 0.00 58.87 56.66 3krt n SER 345 Cb 0.60 0.35 0.37 0.00 -1.01 0.00 0.00 64.21 64.52 3krt n SER 345 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3krt h THR 346 N 1.91 1.14 0.00 0.44 1.35 -0.87 0.74 112.91 117.62 3krt h THR 346 Ca 0.01 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3krt h THR 346 Cb 1.00 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3krt h THR 346 CO 0.37 0.15 0.00 -1.54 -0.25 0.00 0.00 175.52 174.25 3krt n SER 347 N -4.42 0.00 0.00 5.36 3.41 0.11 -4.96 113.62 113.12 3krt n SER 347 Ca 0.03 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3krt n SER 347 Cb 0.10 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 3krt n SER 347 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3krt n GLY 348 N 1.38 4.60 0.00 5.00 0.00 0.25 -4.68 105.19 111.74 3krt n GLY 348 Ca 0.09 -0.80 0.13 0.00 0.00 0.00 0.00 46.02 45.44 3krt n GLY 348 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3krt n TYR 349 N -0.96 0.02 -2.71 1.61 4.11 -1.25 -1.68 117.16 116.31 3krt n TYR 349 Ca 0.00 0.01 -0.42 0.00 -0.00 0.00 0.00 57.90 57.48 3krt n TYR 349 Cb 0.00 -0.35 -0.03 0.00 -0.00 0.00 0.00 39.34 38.96 3krt n TYR 349 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.86 175.22 3krt s MET 350 N -3.00 3.28 0.09 -3.48 -1.94 -1.26 -4.93 119.30 108.06 3krt s MET 350 Ca 0.12 -0.80 -0.28 0.00 -1.71 0.00 0.00 55.69 53.02 3krt s MET 350 Cb 0.18 -4.49 -0.06 0.00 2.01 0.00 0.00 34.83 32.47 3krt s MET 350 CO 0.64 -1.99 0.88 -1.01 -0.01 0.00 0.00 175.02 173.53 3krt s HIS 351 N 4.61 3.79 -0.06 -0.03 3.76 -1.26 -4.63 115.29 121.47 3krt s HIS 351 Ca 0.32 1.68 0.04 0.00 -0.15 0.00 0.00 55.06 56.95 3krt s HIS 351 Cb -0.09 -2.96 0.00 0.00 1.11 0.00 0.00 32.58 30.64 3krt s HIS 351 CO 0.06 0.25 -0.18 -2.00 -0.85 0.00 0.00 174.74 172.02 3krt s GLU 352 N -0.10 2.10 0.13 1.40 2.12 -1.26 -5.09 118.70 117.99 3krt s GLU 352 Ca 0.43 -0.64 -0.13 0.00 0.36 0.00 0.00 54.97 55.00 3krt s GLU 352 Cb -0.22 -1.72 0.01 0.00 0.26 0.00 0.00 34.13 32.46 3krt s GLU 352 CO 0.27 0.18 0.33 1.52 -0.54 0.00 0.00 175.26 177.03 3krt s TYR 353 N 0.25 0.03 -0.45 5.30 -0.85 -1.26 -3.69 117.35 116.68 3krt s TYR 353 Ca -0.10 -0.39 -0.22 0.00 -0.52 0.00 0.00 57.07 55.84 3krt s TYR 353 Cb -0.14 0.12 0.03 0.00 0.38 0.00 0.00 41.96 42.34 3krt s TYR 353 CO 0.04 -0.68 0.72 0.34 -1.52 0.00 0.00 175.55 174.45 3krt s ASP 354 N -2.86 6.36 0.53 -0.18 -1.08 -1.26 -4.92 116.67 113.26 3krt s ASP 354 Ca 0.07 -0.24 0.27 0.00 -0.52 0.00 0.00 52.55 52.13 3krt s ASP 354 Cb 0.03 -2.35 1.46 0.00 -1.46 0.00 0.00 42.92 40.60 3krt s ASP 354 CO -0.08 -0.86 2.08 -1.13 0.52 0.00 0.00 175.17 175.70 3krt h ASN 355 N 8.94 0.00 -0.98 -0.34 -0.00 -2.00 -2.13 115.58 119.07 3krt h ASN 355 Ca -0.25 0.00 0.17 0.00 -0.00 0.00 0.00 56.30 56.22 3krt h ASN 355 Cb 1.09 0.00 -0.10 0.00 -0.00 0.00 0.00 38.32 39.31 3krt h ASN 355 CO 0.93 0.11 0.59 0.03 -0.00 0.00 0.00 177.43 179.09 3krt h ARG 356 N 0.00 0.77 0.00 6.67 3.08 -2.00 0.08 114.38 122.98 3krt h ARG 356 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3krt h ARG 356 Cb 0.31 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3krt h ARG 356 CO 0.01 0.51 0.00 0.66 -1.07 0.00 0.00 179.97 180.08 3krt n TYR 357 N -4.75 0.91 -0.12 3.04 4.01 -0.80 -2.54 117.16 116.91 3krt n TYR 357 Ca 0.22 0.31 -0.25 0.00 -0.16 0.00 0.00 57.90 58.01 3krt n TYR 357 Cb 0.51 -1.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.43 3krt n TYR 357 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3krt n LEU 358 N -2.28 2.09 0.03 7.72 7.94 -0.12 -3.87 117.00 128.51 3krt n LEU 358 Ca 0.04 0.31 -0.19 0.00 -1.11 0.00 0.00 56.01 55.05 3krt n LEU 358 Cb 0.33 -0.90 -0.11 0.00 0.53 0.00 0.00 43.42 43.27 3krt n LEU 358 CO 0.25 0.54 0.14 4.11 -1.11 0.00 0.00 177.39 181.32 3krt h TRP 359 N -0.81 0.84 0.00 1.96 0.09 -1.31 0.31 115.95 117.03 3krt h TRP 359 Ca -0.56 -0.47 -0.03 0.00 0.09 0.00 0.00 58.89 57.92 3krt h TRP 359 Cb 1.58 -0.09 -0.00 0.00 0.08 0.00 0.00 29.16 30.72 3krt h TRP 359 CO -0.00 1.30 -0.17 0.52 0.09 0.00 0.00 178.44 180.18 3krt h MET 360 N 0.14 0.00 -0.43 0.12 2.86 -1.71 -2.59 114.93 113.32 3krt h MET 360 Ca -0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3krt h MET 360 Cb 1.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.21 3krt h MET 360 CO 0.17 0.17 0.00 0.43 1.06 0.00 0.00 176.91 178.73 3krt n SER 361 N -3.30 3.27 -3.80 1.22 7.64 -1.25 -5.00 113.62 112.40 3krt n SER 361 Ca 0.00 -2.08 -0.27 0.00 1.01 0.00 0.00 58.87 57.54 3krt n SER 361 Cb 0.41 -0.32 0.04 0.00 -1.01 0.00 0.00 64.21 63.34 3krt n SER 361 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3krt n LEU 362 N 0.72 -2.88 -4.96 -3.43 4.32 -0.77 0.10 117.00 110.10 3krt n LEU 362 Ca 0.15 -0.73 -0.25 0.00 -0.02 0.00 0.00 56.01 55.17 3krt n LEU 362 Cb 0.51 -2.70 0.10 0.00 -1.62 0.00 0.00 43.42 39.71 3krt n LEU 362 CO 0.11 0.50 0.59 -0.54 -1.22 0.00 0.00 177.39 176.83 3krt s LYS 363 N -6.41 1.78 -0.03 3.23 1.02 0.03 -3.54 119.74 115.82 3krt s LYS 363 Ca 0.52 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.79 3krt s LYS 363 Cb -0.25 -2.24 0.02 0.00 -0.52 0.00 0.00 37.83 34.84 3krt s LYS 363 CO 0.80 -1.43 -0.02 0.50 -0.92 0.00 0.00 175.35 174.28 3krt s ARG 364 N -5.23 0.42 -0.22 1.68 3.52 -0.59 -4.80 118.95 113.73 3krt s ARG 364 Ca 0.64 -0.01 -0.07 0.00 -0.13 0.00 0.00 55.73 56.17 3krt s ARG 364 Cb -0.07 -0.53 -0.03 0.00 -1.56 0.00 0.00 34.95 32.76 3krt s ARG 364 CO 0.45 -0.08 0.06 0.42 -0.81 0.00 0.00 175.30 175.34 3krt s ILE 365 N 0.79 4.48 -0.18 4.11 1.01 -1.26 -0.48 121.20 129.67 3krt s ILE 365 Ca -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 3krt s ILE 365 Cb -0.12 -3.06 -0.00 0.00 0.01 0.00 0.00 42.46 39.29 3krt s ILE 365 CO -0.01 0.39 -0.11 -0.63 0.00 0.00 0.00 174.94 174.58 3krt s ILE 366 N 1.05 2.95 -0.02 2.92 1.01 0.17 -4.95 121.20 124.33 3krt s ILE 366 Ca 0.04 -0.66 -0.24 0.00 0.00 0.00 0.00 60.65 59.79 3krt s ILE 366 Cb -0.14 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 3krt s ILE 366 CO 0.03 0.48 0.74 -0.83 0.00 0.00 0.00 174.94 175.36 3krt s GLY 367 N 1.07 2.70 0.07 6.18 0.00 -1.26 -0.45 107.32 115.62 3krt s GLY 367 Ca -0.00 0.22 0.02 0.00 0.00 0.00 0.00 44.72 44.96 3krt s GLY 367 CO -0.02 1.18 -0.08 -0.45 0.00 0.00 0.00 173.10 173.72 3krt s SER 368 N 0.48 1.04 -0.26 1.64 0.15 0.75 -4.90 113.70 112.60 3krt s SER 368 Ca 0.39 -0.74 -0.07 0.00 0.70 0.00 0.00 55.95 56.23 3krt s SER 368 Cb -0.19 0.05 0.12 0.00 -1.71 0.00 0.00 66.02 64.29 3krt s SER 368 CO 0.21 -0.30 0.54 -2.28 1.20 0.00 0.00 173.24 172.61 3krt s HIS 369 N -2.26 -1.13 0.00 3.44 2.46 -1.26 -3.96 115.29 112.58 3krt s HIS 369 Ca -0.01 1.86 0.00 0.00 0.47 0.00 0.00 55.06 57.38 3krt s HIS 369 Cb -0.04 0.54 0.00 0.00 -0.13 0.00 0.00 32.58 32.95 3krt s HIS 369 CO -0.01 -0.62 0.00 1.19 -2.47 0.00 0.00 174.74 172.82 3krt n PHE 370 N 5.42 0.00 -3.56 3.88 3.72 -1.26 -4.82 117.46 120.84 3krt n PHE 370 Ca -0.09 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.14 3krt n PHE 370 Cb 0.49 0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.98 3krt n PHE 370 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3krt s ALA 371 N -1.51 -1.64 0.90 4.37 0.00 -1.26 -4.11 121.76 118.52 3krt s ALA 371 Ca 0.00 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.08 3krt s ALA 371 Cb 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 23.12 23.18 3krt s ALA 371 CO 0.00 -0.35 1.12 0.54 0.00 0.00 0.00 175.76 177.06 3krt s ASN 372 N -1.08 3.53 0.30 0.00 2.20 -1.26 -4.78 114.94 113.83 3krt s ASN 372 Ca -0.10 1.12 -0.01 0.00 -0.94 0.00 0.00 52.86 52.92 3krt s ASN 372 Cb -0.01 -1.76 0.45 0.00 -2.00 0.00 0.00 41.25 37.94 3krt s ASN 372 CO 0.09 -2.56 1.93 0.22 -2.94 0.00 0.00 177.10 173.83 3krt h TYR 373 N -1.50 0.95 -0.32 1.54 3.20 -1.97 -0.54 116.97 118.34 3krt h TYR 373 Ca -0.51 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.33 3krt h TYR 373 Cb 1.31 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 3krt h TYR 373 CO 0.34 0.66 0.11 -0.09 -1.64 0.00 0.00 178.16 177.53 3krt h ARG 374 N 0.98 0.49 -0.16 1.82 2.43 -1.98 0.37 114.38 118.33 3krt h ARG 374 Ca 0.25 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3krt h ARG 374 Cb 0.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3krt h ARG 374 CO -0.04 0.52 0.03 0.93 -1.51 0.00 0.00 179.97 179.90 3krt h GLU 375 N 0.36 0.10 -0.41 0.20 5.08 -1.81 -0.13 114.58 117.96 3krt h GLU 375 Ca 0.10 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3krt h GLU 375 Cb 0.23 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3krt h GLU 375 CO -0.00 0.06 0.24 0.00 -1.00 0.00 0.00 179.01 178.31 3krt h ALA 376 N 1.11 0.53 -0.44 3.43 0.00 -1.03 -0.01 119.26 122.84 3krt h ALA 376 Ca 0.07 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3krt h ALA 376 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3krt h ALA 376 CO -0.09 0.03 0.29 2.35 0.00 0.00 0.00 179.25 181.83 3krt h TRP 377 N 0.54 0.50 -0.06 0.00 2.91 0.15 -0.94 115.95 119.06 3krt h TRP 377 Ca 0.15 0.01 -0.24 0.00 1.13 0.00 0.00 58.89 59.94 3krt h TRP 377 Cb 0.01 -0.17 0.02 0.00 -0.51 0.00 0.00 29.16 28.51 3krt h TRP 377 CO -0.03 0.30 -0.90 0.93 -1.03 0.00 0.00 178.44 177.71 3krt h GLU 378 N 0.53 0.71 -0.85 2.65 5.08 -0.55 -1.89 114.58 120.26 3krt h GLU 378 Ca 0.17 -0.69 0.01 0.00 -1.00 0.00 0.00 59.36 57.85 3krt h GLU 378 Cb 0.04 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3krt h GLU 378 CO -0.04 1.28 0.55 0.00 -1.00 0.00 0.00 179.01 179.80 3krt h ALA 379 N 0.45 1.07 -0.09 3.43 0.00 -0.67 -2.29 119.26 121.16 3krt h ALA 379 Ca -0.10 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 3krt h ALA 379 Cb 1.55 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3krt h ALA 379 CO 0.18 0.49 -0.75 -0.97 0.00 0.00 0.00 179.25 178.20 3krt h ASN 380 N 1.15 0.57 -0.64 0.00 -1.24 -1.21 -2.93 115.58 111.28 3krt h ASN 380 Ca 0.31 -0.38 0.04 0.00 0.71 0.00 0.00 56.30 56.98 3krt h ASN 380 Cb -0.12 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 38.73 3krt h ASN 380 CO -0.07 1.13 0.43 -0.09 -1.29 0.00 0.00 177.43 177.54 3krt h ARG 381 N 0.32 0.72 -0.08 6.67 2.43 -1.08 -0.95 114.38 122.41 3krt h ARG 381 Ca -0.04 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 58.95 3krt h ARG 381 Cb 1.34 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3krt h ARG 381 CO 0.13 0.48 -0.57 -0.07 -1.51 0.00 0.00 179.97 178.44 3krt h LEU 382 N 0.75 0.29 0.08 3.80 3.38 -1.24 -0.73 115.31 121.64 3krt h LEU 382 Ca 0.26 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3krt h LEU 382 Cb 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3krt h LEU 382 CO -0.07 0.80 -0.04 0.40 0.09 0.00 0.00 178.44 179.62 3krt h ILE 383 N 0.20 0.97 -0.53 1.22 1.08 -1.32 -1.60 117.51 117.52 3krt h ILE 383 Ca -0.00 -0.16 0.06 0.00 -0.39 0.00 0.00 64.86 64.37 3krt h ILE 383 Cb 1.06 1.07 -0.03 0.00 -3.07 0.00 0.00 36.82 35.85 3krt h ILE 383 CO 0.09 0.04 0.36 0.00 -0.69 0.00 0.00 178.15 177.95 3krt h ALA 384 N 0.73 1.89 -0.00 1.87 0.00 -0.67 -0.93 119.26 122.16 3krt h ALA 384 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3krt h ALA 384 Cb 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3krt h ALA 384 CO 0.02 0.01 -0.03 1.63 0.00 0.00 0.00 179.25 180.88 3krt n LYS 385 N -4.47 0.13 -1.04 0.00 4.76 -0.33 -4.86 118.16 112.34 3krt n LYS 385 Ca 0.07 -0.01 -0.01 0.00 -2.87 0.00 0.00 58.31 55.49 3krt n LYS 385 Cb 0.25 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.94 3krt n LYS 385 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3krt n GLY 386 N 1.44 0.51 0.07 0.72 0.00 -0.35 -4.93 105.19 102.65 3krt n GLY 386 Ca 0.09 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 3krt n GLY 386 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3krt h ARG 387 N 0.33 0.03 -5.83 1.61 2.47 -1.53 -3.45 114.38 108.01 3krt h ARG 387 Ca -0.03 -0.04 -0.56 0.00 -1.26 0.00 0.00 59.98 58.08 3krt h ARG 387 Cb 0.13 0.02 -0.28 0.00 -1.65 0.00 0.00 29.97 28.19 3krt h ARG 387 CO 0.04 0.96 -0.84 0.42 0.56 0.00 0.00 179.97 181.11 3krt s ILE 388 N -2.69 1.49 0.09 2.04 -1.09 -0.84 -4.84 121.20 115.35 3krt s ILE 388 Ca -0.00 -0.89 0.09 0.00 -2.23 0.00 0.00 60.65 57.61 3krt s ILE 388 Cb 0.09 -1.26 -0.04 0.00 -1.58 0.00 0.00 42.46 39.68 3krt s ILE 388 CO 0.83 0.35 -0.22 -1.00 -1.23 0.00 0.00 174.94 173.67 3krt s HIS 389 N -0.54 2.45 0.74 3.97 3.76 -1.26 -4.13 115.29 120.29 3krt s HIS 389 Ca 0.07 -0.31 -0.14 0.00 -0.15 0.00 0.00 55.06 54.53 3krt s HIS 389 Cb -0.08 -1.36 0.05 0.00 1.11 0.00 0.00 32.58 32.30 3krt s HIS 389 CO -0.00 0.30 1.15 -1.25 -0.85 0.00 0.00 174.74 174.08 3krt s PRO 390 N -1.78 2.20 -0.34 8.40 0.04 -1.26 -4.96 135.00 137.29 3krt s PRO 390 Ca 0.15 1.52 0.08 0.00 0.04 0.00 0.00 61.00 62.80 3krt s PRO 390 Cb -0.10 -1.86 0.45 0.00 0.04 0.00 0.00 34.50 33.02 3krt s PRO 390 CO 0.06 -1.74 1.14 0.25 0.04 0.00 0.00 177.00 176.76 3krt n THR 391 N -2.97 2.27 -1.73 1.26 -2.24 -1.26 -4.75 114.28 104.86 3krt n THR 391 Ca 0.12 -4.27 -0.42 0.00 -2.27 0.00 0.00 64.05 57.21 3krt n THR 391 Cb 0.51 -0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 67.86 3krt n THR 391 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3krt s LEU 392 N -3.57 4.38 -0.02 3.22 1.43 -1.26 -0.50 118.68 122.36 3krt s LEU 392 Ca 0.46 2.82 0.18 0.00 -1.03 0.00 0.00 54.13 56.57 3krt s LEU 392 Cb 0.40 -3.59 -0.27 0.00 0.03 0.00 0.00 46.19 42.76 3krt s LEU 392 CO -0.04 -0.98 0.45 -1.54 0.23 0.00 0.00 176.35 174.46 3krt n SER 393 N 4.65 0.82 -3.64 2.29 3.41 -0.14 -3.06 113.62 117.95 3krt n SER 393 Ca 0.17 -0.12 -0.09 0.00 -0.26 0.00 0.00 58.87 58.56 3krt n SER 393 Cb 0.36 1.72 -0.07 0.00 -0.26 0.00 0.00 64.21 65.97 3krt n SER 393 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3krt s LYS 394 N -3.19 0.59 -0.04 4.33 2.47 -1.23 -4.60 119.74 118.06 3krt s LYS 394 Ca -0.05 0.77 0.04 0.00 -1.56 0.00 0.00 55.97 55.16 3krt s LYS 394 Cb 0.12 0.25 0.00 0.00 -1.46 0.00 0.00 37.83 36.74 3krt s LYS 394 CO 0.76 -0.08 -0.14 0.08 0.16 0.00 0.00 175.35 176.12 3krt s VAL 395 N 0.57 1.21 0.18 4.02 1.01 -1.26 -1.25 120.40 124.88 3krt s VAL 395 Ca -0.01 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.48 3krt s VAL 395 Cb -0.05 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3krt s VAL 395 CO -0.07 0.36 -0.18 -0.31 0.00 0.00 0.00 175.10 174.90 3krt s TYR 396 N 0.15 2.46 0.84 5.22 1.51 -0.46 -4.99 117.35 122.07 3krt s TYR 396 Ca -0.05 -0.29 -0.11 0.00 -1.01 0.00 0.00 57.07 55.60 3krt s TYR 396 Cb -0.11 -1.23 0.10 0.00 -0.11 0.00 0.00 41.96 40.61 3krt s TYR 396 CO 0.02 0.48 1.10 -1.54 -1.11 0.00 0.00 175.55 174.50 3krt s SER 397 N -2.63 4.04 0.27 2.29 1.04 -1.26 -0.18 113.70 117.27 3krt s SER 397 Ca 0.22 1.38 -0.01 0.00 0.48 0.00 0.00 55.95 58.02 3krt s SER 397 Cb -0.09 -2.09 0.48 0.00 0.10 0.00 0.00 66.02 64.42 3krt s SER 397 CO 0.12 -2.26 1.84 0.25 0.98 0.00 0.00 173.24 174.17 3krt h LEU 398 N -1.29 0.92 -0.79 2.42 5.85 -1.40 -2.06 115.31 118.94 3krt h LEU 398 Ca -0.48 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3krt h LEU 398 Cb 1.28 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3krt h LEU 398 CO 0.57 0.52 0.00 -0.33 -0.34 0.00 0.00 178.44 178.87 3krt h GLU 399 N 1.01 0.00 -0.50 1.25 5.08 -1.93 -2.68 114.58 116.81 3krt h GLU 399 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 3krt h GLU 399 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3krt h GLU 399 CO -0.23 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.53 3krt n ASP 400 N -2.46 4.68 0.16 1.42 8.00 -0.78 -4.53 116.55 123.03 3krt n ASP 400 Ca 0.02 -2.69 0.07 0.00 0.71 0.00 0.00 54.79 52.90 3krt n ASP 400 Cb 0.27 -0.57 0.57 0.00 -0.02 0.00 0.00 41.12 41.37 3krt n ASP 400 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3krt h THR 401 N 3.30 1.02 -0.45 -3.53 2.02 -1.48 -1.47 112.91 112.32 3krt h THR 401 Ca 0.00 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.16 3krt h THR 401 Cb 1.54 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 68.72 3krt h THR 401 CO 0.29 0.04 0.19 1.23 0.37 0.00 0.00 175.52 177.63 3krt h GLY 402 N 0.20 0.61 0.99 2.16 0.00 -1.85 0.22 103.07 105.40 3krt h GLY 402 Ca 0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 3krt h GLY 402 CO -0.01 0.06 -0.08 -1.61 0.00 0.00 0.00 176.54 174.89 3krt h GLN 403 N 0.38 0.81 -0.26 4.80 5.75 -1.65 -1.67 115.11 123.26 3krt h GLN 403 Ca 0.21 -0.30 0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3krt h GLN 403 Cb 0.17 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 3krt h GLN 403 CO -0.18 0.92 0.02 0.00 -2.65 0.00 0.00 178.83 176.93 3krt h ALA 404 N 0.86 0.24 -0.61 3.38 0.00 -1.07 0.74 119.26 122.81 3krt h ALA 404 Ca 0.11 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3krt h ALA 404 Cb 0.61 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3krt h ALA 404 CO 0.04 -0.40 0.32 0.00 0.00 0.00 0.00 179.25 179.20 3krt h ALA 405 N 1.21 0.80 -0.12 0.00 0.00 -0.47 -1.69 119.26 118.99 3krt h ALA 405 Ca 0.12 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3krt h ALA 405 Cb 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3krt h ALA 405 CO -0.19 -0.03 0.01 -0.92 0.00 0.00 0.00 179.25 178.12 3krt h TYR 406 N 0.59 0.02 -0.55 0.00 3.20 -0.75 -0.44 116.97 119.05 3krt h TYR 406 Ca 0.28 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.26 3krt h TYR 406 Cb 0.19 0.01 -0.11 0.00 1.54 0.00 0.00 36.73 38.36 3krt h TYR 406 CO -0.10 0.00 -0.26 -0.44 -1.64 0.00 0.00 178.16 175.72 3krt h ASP 407 N 0.06 -0.91 -0.51 -2.11 5.19 -0.29 -1.14 116.42 116.71 3krt h ASP 407 Ca 0.06 0.20 -0.10 0.00 -0.62 0.00 0.00 57.03 56.57 3krt h ASP 407 Cb 0.06 0.48 -0.02 0.00 0.18 0.00 0.00 39.33 40.03 3krt h ASP 407 CO -0.08 -0.27 -0.08 0.58 -3.12 0.00 0.00 179.24 176.26 3krt h VAL 408 N -0.13 1.27 -0.59 -1.35 2.07 -1.01 -0.32 116.25 116.19 3krt h VAL 408 Ca 0.24 -1.21 0.11 0.00 0.82 0.00 0.00 66.70 66.66 3krt h VAL 408 Cb 0.51 1.01 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 3krt h VAL 408 CO -0.63 0.42 0.14 -0.74 0.02 0.00 0.00 177.57 176.78 3krt h HIS 409 N 0.81 0.22 -0.09 1.57 -0.00 -0.72 -0.62 115.15 116.31 3krt h HIS 409 Ca 0.13 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.54 3krt h HIS 409 Cb 0.63 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.03 3krt h HIS 409 CO 0.05 -0.02 0.00 -2.13 -0.00 0.00 0.00 177.93 175.83 3krt n ARG 410 N -5.11 1.28 -4.12 5.26 3.00 -0.46 -4.92 116.66 111.58 3krt n ARG 410 Ca 0.09 -0.43 -0.42 0.00 -0.00 0.00 0.00 57.85 57.09 3krt n ARG 410 Cb 0.31 -1.22 -0.01 0.00 0.00 0.00 0.00 32.46 31.54 3krt n ARG 410 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3krt n ASN 411 N -0.26 -2.76 0.08 6.15 3.02 -0.24 -4.91 115.26 116.35 3krt n ASN 411 Ca 0.10 -1.28 -0.18 0.00 -0.03 0.00 0.00 54.58 53.19 3krt n ASN 411 Cb 0.13 -1.77 -0.14 0.00 -0.61 0.00 0.00 39.78 37.39 3krt n ASN 411 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3krt h LEU 412 N -2.38 0.48 -9.91 3.41 4.07 -1.30 -3.48 115.31 106.20 3krt h LEU 412 Ca -0.70 -0.61 -0.54 0.00 0.08 0.00 0.00 57.88 56.12 3krt h LEU 412 Cb 1.40 -0.16 -0.07 0.00 1.08 0.00 0.00 40.66 42.92 3krt h LEU 412 CO 0.57 1.50 -0.49 -1.00 -1.08 0.00 0.00 178.44 177.93 3krt s HIS 413 N -2.62 2.69 0.34 1.13 3.76 -1.26 -5.10 115.29 114.23 3krt s HIS 413 Ca -0.09 -0.46 0.06 0.00 -0.15 0.00 0.00 55.06 54.43 3krt s HIS 413 Cb 0.06 -1.84 -0.01 0.00 1.11 0.00 0.00 32.58 31.90 3krt s HIS 413 CO 0.87 0.20 0.48 -0.65 -0.85 0.00 0.00 174.74 174.79 3krt s GLN 414 N -3.92 3.11 7.78 1.40 -1.52 -1.26 -4.93 119.66 120.32 3krt s GLN 414 Ca 0.41 -0.98 0.00 0.00 -1.95 0.00 0.00 55.36 52.84 3krt s GLN 414 Cb -0.01 -2.81 0.00 0.00 -0.22 0.00 0.00 33.01 29.98 3krt s GLN 414 CO 0.24 0.04 0.00 0.41 -0.25 0.00 0.00 175.29 175.73 3krt n GLY 415 N -1.67 3.28 3.52 3.09 0.00 -0.61 -4.25 105.19 108.56 3krt n GLY 415 Ca 0.00 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 3krt n GLY 415 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krt s LYS 416 N 0.00 2.18 -0.28 1.61 -0.14 0.35 -3.45 119.74 120.02 3krt s LYS 416 Ca 0.00 -0.94 -0.06 0.00 -1.36 0.00 0.00 55.97 53.61 3krt s LYS 416 Cb 0.00 -2.29 0.00 0.00 -1.68 0.00 0.00 37.83 33.86 3krt s LYS 416 CO 0.00 0.54 0.06 0.08 -0.76 0.00 0.00 175.35 175.27 3krt s VAL 417 N -1.03 3.89 0.29 3.17 1.01 -1.26 -0.97 120.40 125.50 3krt s VAL 417 Ca 0.17 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.61 3krt s VAL 417 Cb -0.11 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3krt s VAL 417 CO 0.08 0.17 0.36 -0.83 0.00 0.00 0.00 175.10 174.88 3krt s GLY 418 N 1.51 1.46 -0.03 4.51 0.00 -0.38 -1.01 107.32 113.37 3krt s GLY 418 Ca 0.03 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.35 3krt s GLY 418 CO 0.02 -1.38 0.00 0.14 0.00 0.00 0.00 173.10 171.88 3krt s VAL 419 N -2.12 0.18 -0.11 1.40 1.01 -0.53 -1.36 120.40 118.86 3krt s VAL 419 Ca 0.39 0.11 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 3krt s VAL 419 Cb -0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 3krt s VAL 419 CO 0.29 0.16 0.87 -0.76 0.00 0.00 0.00 175.10 175.66 3krt s LEU 420 N 1.18 4.24 0.00 3.92 1.43 0.75 -0.86 118.68 129.34 3krt s LEU 420 Ca -0.08 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 3krt s LEU 420 Cb -0.13 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.76 3krt s LEU 420 CO -0.02 -0.34 0.00 0.00 0.23 0.00 0.00 176.35 176.22 3krt h LEU 422 N 0.00 0.00 -9.38 0.00 3.38 -0.98 -3.44 115.31 104.89 3krt h LEU 422 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3krt h LEU 422 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 3krt h LEU 422 CO 0.00 0.51 1.18 0.00 0.09 0.00 0.00 178.44 180.22 3krt n ALA 423 N -2.23 1.58 0.72 1.53 0.00 -0.81 -4.87 120.51 116.44 3krt n ALA 423 Ca 0.02 0.25 0.11 0.00 0.00 0.00 0.00 53.44 53.82 3krt n ALA 423 Cb 0.74 -2.63 0.48 0.00 0.00 0.00 0.00 19.45 18.04 3krt n ALA 423 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3krt n PRO 424 N 6.93 0.06 -3.75 0.00 -0.04 -1.26 -4.87 135.00 132.07 3krt n PRO 424 Ca 0.20 0.16 -0.06 0.00 -0.04 0.00 0.00 63.50 63.76 3krt n PRO 424 Cb 0.38 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.23 3krt n PRO 424 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3krt s GLU 425 N -3.05 1.42 0.78 0.54 -1.05 -1.26 -5.17 118.70 110.90 3krt s GLU 425 Ca 0.10 -0.75 -0.12 0.00 -0.15 0.00 0.00 54.97 54.05 3krt s GLU 425 Cb 0.14 0.51 0.07 0.00 -0.44 0.00 0.00 34.13 34.40 3krt s GLU 425 CO 0.44 -0.65 1.14 -1.21 0.95 0.00 0.00 175.26 175.94 3krt s GLU 426 N -3.57 1.98 0.00 -4.83 2.02 -1.26 -4.25 118.70 108.78 3krt s GLU 426 Ca 0.10 1.46 0.00 0.00 0.02 0.00 0.00 54.97 56.55 3krt s GLU 426 Cb -0.03 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.35 3krt s GLU 426 CO 0.02 -1.90 0.00 0.41 0.02 0.00 0.00 175.26 173.81 3krt n GLY 427 N -0.30 0.43 3.90 -1.39 0.00 -1.26 -5.02 105.19 101.54 3krt n GLY 427 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 3krt n GLY 427 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3krt s LEU 428 N 0.00 3.70 0.00 0.99 1.43 -1.26 -4.52 118.68 119.02 3krt s LEU 428 Ca 0.00 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 3krt s LEU 428 Cb 0.00 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 42.30 3krt s LEU 428 CO 0.00 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.68 3krt n GLY 429 N -1.92 0.75 3.72 -3.19 0.00 -1.26 -1.67 105.19 101.62 3krt n GLY 429 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3krt n GLY 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krt s VAL 430 N -2.17 4.17 -0.47 1.61 0.11 -1.25 -4.69 120.40 117.71 3krt s VAL 430 Ca 0.00 1.68 0.05 0.00 -2.93 0.00 0.00 61.98 60.78 3krt s VAL 430 Cb 0.00 -4.07 -0.00 0.00 -1.53 0.00 0.00 36.38 30.78 3krt s VAL 430 CO 0.00 0.20 0.46 0.54 -3.33 0.00 0.00 175.10 172.96 3krt n ARG 431 N 3.28 2.32 -3.46 1.54 5.12 0.12 -4.80 116.66 120.79 3krt n ARG 431 Ca 0.06 -0.45 -0.27 0.00 -1.93 0.00 0.00 57.85 55.26 3krt n ARG 431 Cb 0.47 -0.93 -0.12 0.00 -1.16 0.00 0.00 32.46 30.72 3krt n ARG 431 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3krt s ASP 432 N -0.90 2.77 0.21 0.55 -1.08 -1.15 -4.94 116.67 112.13 3krt s ASP 432 Ca 0.04 -1.87 0.08 0.00 -0.52 0.00 0.00 52.55 50.29 3krt s ASP 432 Cb 0.04 -0.21 0.15 0.00 -1.46 0.00 0.00 42.92 41.44 3krt s ASP 432 CO 0.13 -0.33 1.49 0.03 0.52 0.00 0.00 175.17 177.00 3krt h ARG 433 N 7.34 0.03 -0.17 4.34 3.08 -1.89 -2.32 114.38 124.80 3krt h ARG 433 Ca 0.00 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3krt h ARG 433 Cb 0.99 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 3krt h ARG 433 CO 0.29 0.77 -0.09 1.49 -1.07 0.00 0.00 179.97 181.36 3krt h GLU 434 N 0.02 0.36 -0.55 0.04 4.81 -1.99 -2.04 114.58 115.23 3krt h GLU 434 Ca -0.01 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.01 3krt h GLU 434 Cb 1.33 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 3krt h GLU 434 CO 0.10 0.68 0.14 -0.22 -0.73 0.00 0.00 179.01 178.98 3krt h LYS 435 N 0.03 0.85 -0.32 1.92 3.64 -1.96 -1.92 116.57 118.81 3krt h LYS 435 Ca 0.04 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3krt h LYS 435 Cb 0.58 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3krt h LYS 435 CO 0.03 0.76 0.18 -0.09 -2.27 0.00 0.00 179.45 178.05 3krt h ARG 436 N 0.82 0.44 0.00 1.90 2.43 -1.38 -2.46 114.38 116.13 3krt h ARG 436 Ca 0.18 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3krt h ARG 436 Cb 0.29 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3krt h ARG 436 CO -0.00 0.37 -0.11 0.00 -1.51 0.00 0.00 179.97 178.71 3krt h ALA 437 N 1.05 1.53 -0.65 2.80 0.00 -1.00 0.34 119.26 123.33 3krt h ALA 437 Ca 0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3krt h ALA 437 Cb 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3krt h ALA 437 CO -0.02 0.14 0.14 0.37 0.00 0.00 0.00 179.25 179.89 3krt h GLN 438 N 0.00 1.04 -0.08 0.00 4.15 -0.93 -3.33 115.11 115.95 3krt h GLN 438 Ca -0.00 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.17 3krt h GLN 438 Cb 0.25 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.80 3krt h GLN 438 CO 0.01 0.93 0.00 0.72 -1.93 0.00 0.00 178.83 178.57 3krt n HIS 439 N -4.23 0.10 -0.14 3.99 8.25 -0.33 -4.77 115.22 118.08 3krt n HIS 439 Ca 0.05 -0.14 -0.04 0.00 -0.26 0.00 0.00 57.72 57.33 3krt n HIS 439 Cb 0.26 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.39 3krt n HIS 439 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3krt h LEU 440 N 1.61 -0.57 -0.98 2.41 5.85 -0.52 0.31 115.31 123.41 3krt h LEU 440 Ca 0.00 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3krt h LEU 440 Cb 0.44 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 3krt h LEU 440 CO 0.00 -0.20 0.45 0.44 -0.34 0.00 0.00 178.44 178.79 3krt h ASP 441 N -0.06 1.04 -0.36 1.25 3.32 -1.86 -0.12 116.42 119.64 3krt h ASP 441 Ca 0.22 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3krt h ASP 441 Cb 0.40 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3krt h ASP 441 CO -0.51 0.84 -0.09 0.00 -1.72 0.00 0.00 179.24 177.76 3krt h ALA 442 N 1.32 0.49 -0.92 3.45 0.00 -1.65 -2.93 119.26 119.02 3krt h ALA 442 Ca 0.29 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3krt h ALA 442 Cb 0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 3krt h ALA 442 CO -0.05 0.35 0.59 0.82 0.00 0.00 0.00 179.25 180.97 3krt h ILE 443 N 0.49 1.12 -0.43 0.00 2.04 0.26 -2.98 117.51 118.01 3krt h ILE 443 Ca 0.09 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3krt h ILE 443 Cb 0.60 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3krt h ILE 443 CO 0.04 0.20 0.00 0.59 0.00 0.00 0.00 178.15 178.98 3krt n ASN 444 N -4.53 2.66 -0.25 1.72 3.02 -0.12 -4.59 115.26 113.16 3krt n ASN 444 Ca 0.13 -2.11 0.06 0.00 -0.03 0.00 0.00 54.58 52.63 3krt n ASN 444 Cb 0.13 -0.36 0.19 0.00 -0.61 0.00 0.00 39.78 39.13 3krt n ASN 444 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3krt h ARG 445 N 2.56 0.33 -0.00 3.52 3.08 -1.35 -1.99 114.38 120.53 3krt h ARG 445 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3krt h ARG 445 Cb 0.75 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3krt h ARG 445 CO 0.06 0.22 -0.19 1.19 -1.07 0.00 0.00 179.97 180.18 3krt n PHE 446 N -5.09 0.00 1.28 3.04 3.01 -1.26 -5.06 117.46 113.38 3krt n PHE 446 Ca 0.15 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.71 3krt n PHE 446 Cb 0.46 -0.33 0.61 0.00 -0.01 0.00 0.00 39.48 40.20 3krt n PHE 446 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31