#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krx s LYS 31 N 0.00 2.78 0.06 1.97 1.02 -1.26 -3.97 119.74 120.34 3krx s LYS 31 Ca 0.00 -0.96 -0.30 0.00 0.02 0.00 0.00 55.97 54.72 3krx s LYS 31 Cb 0.00 -2.56 -0.09 0.00 -0.52 0.00 0.00 37.83 34.67 3krx s LYS 31 CO 0.00 0.46 1.82 0.42 -0.92 0.00 0.00 175.35 177.13 3krx s ILE 32 N -1.82 2.95 -0.21 2.17 1.01 -1.26 -4.99 121.20 119.04 3krx s ILE 32 Ca 0.30 0.22 -0.05 0.00 0.00 0.00 0.00 60.65 61.12 3krx s ILE 32 Cb -0.09 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 3krx s ILE 32 CO 0.22 -0.01 0.01 -0.22 0.00 0.00 0.00 174.94 174.94 3krx s LEU 33 N 3.48 3.22 0.56 2.97 2.96 -1.26 -5.06 118.68 125.56 3krx s LEU 33 Ca 0.81 -0.24 -0.17 0.00 -0.22 0.00 0.00 54.13 54.31 3krx s LEU 33 Cb -0.42 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 3krx s LEU 33 CO 0.36 0.03 1.05 -0.76 -1.32 0.00 0.00 176.35 175.71 3krx s LEU 34 N 1.22 3.60 0.89 -0.68 1.43 -1.26 -5.05 118.68 118.83 3krx s LEU 34 Ca 0.03 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 54.86 3krx s LEU 34 Cb -0.15 -4.54 0.13 0.00 0.03 0.00 0.00 46.19 41.66 3krx s LEU 34 CO 0.01 -1.06 1.14 -2.16 0.23 0.00 0.00 176.35 174.51 3krx s PRO 35 N -3.83 1.29 0.61 1.29 0.04 -1.26 -5.04 135.00 128.09 3krx s PRO 35 Ca 0.65 0.30 -0.14 0.00 0.04 0.00 0.00 61.00 61.85 3krx s PRO 35 Cb -0.16 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3krx s PRO 35 CO 0.32 -2.10 1.05 -1.21 0.04 0.00 0.00 177.00 175.10 3krx s GLU 36 N -5.29 3.29 0.41 4.56 2.02 -1.26 -4.92 118.70 117.50 3krx s GLU 36 Ca 0.63 1.10 0.18 0.00 0.02 0.00 0.00 54.97 56.90 3krx s GLU 36 Cb -0.14 -2.03 1.10 0.00 0.10 0.00 0.00 34.13 33.15 3krx s GLU 36 CO 0.53 -0.83 1.81 -1.35 0.02 0.00 0.00 175.26 175.44 3krx h PRO 37 N 0.15 0.39 -0.06 0.39 0.11 -1.96 -1.47 132.00 129.56 3krx h PRO 37 Ca -0.46 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.64 3krx h PRO 37 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3krx h PRO 37 CO 0.58 0.26 0.41 0.66 -0.21 0.00 0.00 178.00 179.69 3krx h SER 38 N 0.40 0.00 -0.48 -2.05 4.64 -1.96 -0.52 113.55 113.58 3krx h SER 38 Ca 0.54 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 62.00 3krx h SER 38 Cb 1.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.44 3krx h SER 38 CO -0.24 0.00 0.43 0.40 -0.87 0.00 0.00 176.83 176.55 3krx h ILE 39 N 0.00 0.50 -0.72 0.95 1.08 -1.60 -2.44 117.51 115.28 3krx h ILE 39 Ca 0.03 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.66 3krx h ILE 39 Cb 0.84 0.68 -0.12 0.00 -3.07 0.00 0.00 36.82 35.16 3krx h ILE 39 CO -0.00 0.00 0.09 -0.09 -0.69 0.00 0.00 178.15 177.46 3krx h ARG 40 N 0.00 0.18 -0.82 2.37 2.43 -1.33 -0.26 114.38 116.95 3krx h ARG 40 Ca 0.23 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.51 3krx h ARG 40 Cb 1.08 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.51 3krx h ARG 40 CO -0.00 0.12 0.43 1.03 -1.51 0.00 0.00 179.97 180.04 3krx h SER 41 N 0.18 0.55 0.05 -3.80 0.87 -1.68 0.22 113.55 109.95 3krx h SER 41 Ca 0.40 0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.96 3krx h SER 41 Cb 0.69 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.64 3krx h SER 41 CO -0.56 0.27 -0.34 0.58 -0.53 0.00 0.00 176.83 176.24 3krx h VAL 42 N 0.66 1.65 -0.13 2.23 2.07 -1.62 -3.34 116.25 117.78 3krx h VAL 42 Ca 0.43 -2.36 -0.01 0.00 0.82 0.00 0.00 66.70 65.57 3krx h VAL 42 Cb 0.53 3.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.52 3krx h VAL 42 CO -0.32 0.64 0.03 0.24 0.02 0.00 0.00 177.57 178.19 3krx h MET 43 N -0.69 0.20 -0.72 1.57 2.07 -0.55 -1.75 114.93 115.07 3krx h MET 43 Ca -0.06 -0.05 0.14 0.00 -2.07 0.00 0.00 59.70 57.67 3krx h MET 43 Cb 1.24 -0.03 -0.10 0.00 -1.87 0.00 0.00 31.60 30.85 3krx h MET 43 CO 0.06 0.36 0.23 0.37 1.07 0.00 0.00 176.91 179.00 3krx h GLN 44 N 0.01 0.34 -0.16 1.72 4.15 -0.78 0.22 115.11 120.61 3krx h GLN 44 Ca 0.04 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.35 3krx h GLN 44 Cb 0.24 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3krx h GLN 44 CO -0.00 0.22 -0.30 0.87 -1.93 0.00 0.00 178.83 177.69 3krx h LYS 45 N 0.35 0.31 -0.30 1.69 1.57 -1.62 0.41 116.57 118.97 3krx h LYS 45 Ca 0.39 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 3krx h LYS 45 Cb 0.62 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3krx h LYS 45 CO -0.44 0.59 0.12 -0.92 -0.57 0.00 0.00 179.45 178.23 3krx h TYR 46 N 0.28 0.46 -0.08 -1.35 3.20 -0.09 -2.73 116.97 116.65 3krx h TYR 46 Ca 0.04 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 3krx h TYR 46 Cb 0.68 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3krx h TYR 46 CO 0.01 0.45 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.61 3krx h LEU 47 N 0.34 0.41 -0.90 2.82 3.38 -0.23 -3.14 115.31 117.99 3krx h LEU 47 Ca 0.10 -0.63 0.16 0.00 0.09 0.00 0.00 57.88 57.60 3krx h LEU 47 Cb 0.19 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.72 3krx h LEU 47 CO -0.01 0.97 0.49 -0.33 0.09 0.00 0.00 178.44 179.65 3krx h GLU 48 N -0.12 0.64 0.00 1.13 4.39 -0.26 0.46 114.58 120.81 3krx h GLU 48 Ca -0.02 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3krx h GLU 48 Cb 0.94 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 3krx h GLU 48 CO 0.06 0.42 -0.17 -0.44 -1.16 0.00 0.00 179.01 177.72 3krx h ASP 49 N 0.66 0.00 -0.61 1.42 3.32 -1.48 -2.46 116.42 117.26 3krx h ASP 49 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 3krx h ASP 49 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3krx h ASP 49 CO -0.38 0.17 0.00 0.54 -1.72 0.00 0.00 179.24 177.86 3krx n ARG 50 N -4.07 2.71 -1.68 3.56 1.74 -0.01 -4.97 116.66 113.95 3krx n ARG 50 Ca -0.02 -2.48 -0.19 0.00 -0.77 0.00 0.00 57.85 54.39 3krx n ARG 50 Cb 0.25 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.13 3krx n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3krx n GLY 51 N 1.37 1.53 0.46 -0.13 0.00 -0.26 -4.87 105.19 103.29 3krx n GLY 51 Ca 0.21 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.24 3krx n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3krx n GLU 52 N -2.50 1.60 -2.67 1.61 1.02 -0.81 -4.15 120.64 114.74 3krx n GLU 52 Ca -0.20 -0.90 -0.40 0.00 -0.02 0.00 0.00 57.16 55.64 3krx n GLU 52 Cb 0.64 -1.36 0.01 0.00 -0.02 0.00 0.00 31.44 30.72 3krx n GLU 52 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3krx n VAL 53 N 0.14 5.84 -4.31 2.62 0.31 -1.26 -4.41 118.33 117.26 3krx n VAL 53 Ca 0.15 -5.95 -0.23 0.00 -0.01 0.00 0.00 64.34 58.29 3krx n VAL 53 Cb 0.27 -1.55 -0.12 0.00 -0.91 0.00 0.00 33.84 31.54 3krx n VAL 53 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3krx s THR 54 N -4.32 1.79 0.17 2.52 -4.23 -1.26 -5.03 115.64 105.27 3krx s THR 54 Ca 0.40 -1.71 -0.21 0.00 -1.18 0.00 0.00 61.69 58.98 3krx s THR 54 Cb 0.19 -1.70 0.07 0.00 1.34 0.00 0.00 72.50 72.41 3krx s THR 54 CO -0.13 -0.16 1.61 0.15 -0.54 0.00 0.00 174.62 175.56 3krx h PHE 55 N 3.72 -0.71 0.00 3.99 3.57 -1.92 -1.23 116.94 124.35 3krx h PHE 55 Ca -0.45 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.08 3krx h PHE 55 Cb 1.19 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 40.30 3krx h PHE 55 CO 0.64 -0.34 -0.11 0.93 -2.23 0.00 0.00 178.31 177.21 3krx h GLU 56 N -0.21 0.00 0.18 1.11 3.07 -1.98 0.15 114.58 116.91 3krx h GLU 56 Ca 0.18 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.77 3krx h GLU 56 Cb 0.49 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.43 3krx h GLU 56 CO -0.50 0.11 -1.22 0.87 -1.40 0.00 0.00 179.01 176.87 3krx h LYS 57 N 0.00 0.38 0.06 2.33 1.79 -1.65 -3.28 116.57 116.21 3krx h LYS 57 Ca -0.00 -0.66 -0.15 0.00 -2.18 0.00 0.00 60.65 57.66 3krx h LYS 57 Cb 0.24 0.24 0.01 0.00 -1.58 0.00 0.00 32.23 31.15 3krx h LYS 57 CO 0.01 1.31 -0.61 0.82 -1.08 0.00 0.00 179.45 179.91 3krx h ILE 58 N -0.14 1.51 -0.90 1.86 2.04 -1.02 -3.35 117.51 117.51 3krx h ILE 58 Ca -0.22 -2.28 0.06 0.00 1.00 0.00 0.00 64.86 63.41 3krx h ILE 58 Cb 1.88 2.94 -0.06 0.00 -0.74 0.00 0.00 36.82 40.85 3krx h ILE 58 CO 0.18 0.65 0.58 0.15 0.00 0.00 0.00 178.15 179.71 3krx h PHE 59 N -0.33 1.05 -0.05 1.37 3.57 -0.89 -1.13 116.94 120.53 3krx h PHE 59 Ca -0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3krx h PHE 59 Cb 1.40 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3krx h PHE 59 CO 0.18 0.56 0.00 -1.13 -2.23 0.00 0.00 178.31 175.70 3krx n SER 60 N -4.48 1.36 -4.30 0.41 3.41 -1.24 -4.23 113.62 104.54 3krx n SER 60 Ca 0.13 -2.08 -0.31 0.00 -0.26 0.00 0.00 58.87 56.35 3krx n SER 60 Cb 0.18 -0.50 -0.16 0.00 -0.26 0.00 0.00 64.21 63.47 3krx n SER 60 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3krx s GLN 61 N -1.18 2.17 0.10 4.33 -0.21 -0.43 -5.03 119.66 119.42 3krx s GLN 61 Ca 0.05 -0.93 -0.27 0.00 0.02 0.00 0.00 55.36 54.23 3krx s GLN 61 Cb 0.03 -2.06 -0.12 0.00 1.00 0.00 0.00 33.01 31.87 3krx s GLN 61 CO 0.01 0.53 1.67 -0.22 -2.12 0.00 0.00 175.29 175.17 3krx h LYS 62 N 5.57 -0.39 -0.26 2.91 1.63 -1.85 1.00 116.57 125.18 3krx h LYS 62 Ca -0.41 0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.31 3krx h LYS 62 Cb 1.13 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 3krx h LYS 62 CO 0.47 -0.26 -0.29 -0.07 -3.45 0.00 0.00 179.45 175.85 3krx h LEU 63 N -0.41 0.52 -0.42 5.20 3.38 -1.92 -0.61 115.31 121.05 3krx h LEU 63 Ca 0.00 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 3krx h LEU 63 Cb 0.39 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3krx h LEU 63 CO -0.05 0.79 -0.03 1.23 0.09 0.00 0.00 178.44 180.47 3krx h GLY 64 N 1.03 0.83 0.79 0.83 0.00 -1.60 -2.52 103.07 102.43 3krx h GLY 64 Ca 0.06 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 3krx h GLY 64 CO 0.06 0.58 0.01 -1.82 0.00 0.00 0.00 176.54 175.36 3krx h TYR 65 N 0.59 0.06 -0.53 5.60 3.20 0.13 -1.39 116.97 124.63 3krx h TYR 65 Ca 0.12 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.03 3krx h TYR 65 Cb 0.53 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.73 3krx h TYR 65 CO 0.04 0.26 0.26 -0.07 -1.64 0.00 0.00 178.16 177.01 3krx h LEU 66 N -0.16 0.36 -0.64 2.82 3.38 -1.13 0.90 115.31 120.86 3krx h LEU 66 Ca 0.01 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3krx h LEU 66 Cb 0.23 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3krx h LEU 66 CO 0.00 0.25 -0.11 -0.07 0.09 0.00 0.00 178.44 178.60 3krx h LEU 67 N 0.50 0.96 0.10 1.67 3.38 -1.44 -1.93 115.31 118.55 3krx h LEU 67 Ca 0.24 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3krx h LEU 67 Cb 0.16 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3krx h LEU 67 CO -0.18 1.07 -0.05 0.15 0.09 0.00 0.00 178.44 179.53 3krx h PHE 68 N 0.86 -0.13 -0.11 1.13 3.04 -0.63 -2.46 116.94 118.63 3krx h PHE 68 Ca 0.14 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.01 3krx h PHE 68 Cb 0.65 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.19 3krx h PHE 68 CO 0.04 -0.07 -0.25 0.07 -2.02 0.00 0.00 178.31 176.09 3krx h ARG 69 N -0.15 0.20 0.06 1.11 0.11 -0.79 -1.13 114.38 113.78 3krx h ARG 69 Ca -0.01 -0.06 0.02 0.00 0.10 0.00 0.00 59.98 60.02 3krx h ARG 69 Cb 0.12 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.15 3krx h ARG 69 CO 0.02 0.44 -0.21 0.22 0.10 0.00 0.00 179.97 180.55 3krx h ASP 70 N 0.18 -0.59 -0.37 0.08 1.82 -1.23 -0.86 116.42 115.46 3krx h ASP 70 Ca 0.03 0.08 0.03 0.00 -0.39 0.00 0.00 57.03 56.77 3krx h ASP 70 Cb 0.54 0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.76 3krx h ASP 70 CO 0.04 -0.28 0.19 0.15 -1.61 0.00 0.00 179.24 177.72 3krx h PHE 71 N -0.36 0.34 -0.41 0.28 3.57 -0.91 0.79 116.94 120.25 3krx h PHE 71 Ca 0.04 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 3krx h PHE 71 Cb 0.41 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3krx h PHE 71 CO -0.22 0.18 0.01 0.00 -2.23 0.00 0.00 178.31 176.05 3krx h LEU 73 N 0.55 -0.04 0.00 0.00 3.38 -1.01 -3.17 115.31 115.03 3krx h LEU 73 Ca 0.12 -0.58 -0.23 0.00 0.09 0.00 0.00 57.88 57.28 3krx h LEU 73 Cb 0.46 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3krx h LEU 73 CO 0.02 0.58 -1.49 0.78 0.09 0.00 0.00 178.44 178.42 3krx h ASN 74 N -0.67 0.00 0.00 -0.43 2.35 -0.90 -3.41 115.58 112.52 3krx h ASN 74 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3krx h ASN 74 Cb 0.61 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.93 3krx h ASN 74 CO 0.01 0.82 -0.38 1.41 -1.65 0.00 0.00 177.43 177.64 3krx n HIS 75 N -3.02 0.00 -3.03 1.19 8.25 0.07 -4.93 115.22 113.74 3krx n HIS 75 Ca -0.12 -0.70 0.02 0.00 -0.26 0.00 0.00 57.72 56.66 3krx n HIS 75 Cb 0.95 -0.14 -0.00 0.00 1.12 0.00 0.00 29.99 31.92 3krx n HIS 75 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3krx s LEU 76 N -1.66 -0.97 0.54 2.41 2.96 -1.07 -4.89 118.68 116.00 3krx s LEU 76 Ca 0.23 -0.34 0.27 0.00 -0.22 0.00 0.00 54.13 54.07 3krx s LEU 76 Cb 0.22 1.31 1.42 0.00 0.50 0.00 0.00 46.19 49.65 3krx s LEU 76 CO -0.02 -0.12 1.97 -0.33 -1.32 0.00 0.00 176.35 176.53 3krx h GLU 77 N 6.55 0.00 -0.46 1.98 3.07 -1.87 -1.47 114.58 122.39 3krx h GLU 77 Ca -0.01 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 3krx h GLU 77 Cb 1.20 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.09 3krx h GLU 77 CO 0.02 0.00 0.01 1.49 -1.40 0.00 0.00 179.01 179.13 3krx h GLU 78 N 0.00 0.75 0.00 2.33 4.81 -1.96 -3.03 114.58 117.48 3krx h GLU 78 Ca 0.28 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3krx h GLU 78 Cb 1.14 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3krx h GLU 78 CO -0.00 0.75 -0.40 0.00 -0.73 0.00 0.00 179.01 178.63 3krx h ALA 79 N 1.31 0.79 0.38 2.92 0.00 -1.50 -3.41 119.26 119.75 3krx h ALA 79 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3krx h ALA 79 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3krx h ALA 79 CO 0.02 0.00 -0.45 -0.09 0.00 0.00 0.00 179.25 178.73 3krx h ARG 80 N 0.00 -0.83 -0.83 0.00 2.43 -1.38 -1.84 114.38 111.93 3krx h ARG 80 Ca 0.00 0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 3krx h ARG 80 Cb 0.97 0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 3krx h ARG 80 CO 0.00 -0.55 0.54 -1.00 -1.51 0.00 0.00 179.97 177.45 3krx h PRO 81 N -0.86 0.91 -0.28 0.20 0.13 -1.80 0.53 132.00 130.84 3krx h PRO 81 Ca -0.03 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3krx h PRO 81 Cb 0.78 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 3krx h PRO 81 CO -0.10 0.60 0.16 -0.07 -0.23 0.00 0.00 178.00 178.36 3krx h LEU 82 N 0.94 0.33 -0.07 1.56 3.38 -1.67 0.31 115.31 120.10 3krx h LEU 82 Ca 0.35 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 3krx h LEU 82 Cb 0.18 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3krx h LEU 82 CO -0.12 0.30 -0.05 0.58 0.09 0.00 0.00 178.44 179.24 3krx h VAL 83 N 0.34 1.35 -0.77 1.22 2.07 -1.04 -0.58 116.25 118.84 3krx h VAL 83 Ca 0.10 -1.13 0.17 0.00 0.82 0.00 0.00 66.70 66.66 3krx h VAL 83 Cb 0.03 1.94 -0.11 0.00 -1.52 0.00 0.00 31.29 31.63 3krx h VAL 83 CO -0.02 0.31 0.22 -0.33 0.02 0.00 0.00 177.57 177.78 3krx h GLU 84 N -0.24 0.30 -0.37 1.57 5.08 -0.76 0.22 114.58 120.39 3krx h GLU 84 Ca 0.01 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3krx h GLU 84 Cb 0.52 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3krx h GLU 84 CO 0.01 0.20 -0.33 0.35 -1.00 0.00 0.00 179.01 178.24 3krx h PHE 85 N 0.31 0.96 0.08 4.33 3.57 -0.30 -1.69 116.94 124.20 3krx h PHE 85 Ca 0.44 -0.26 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3krx h PHE 85 Cb 0.76 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 3krx h PHE 85 CO -0.23 1.03 -0.06 -0.92 -2.23 0.00 0.00 178.31 175.90 3krx h TYR 86 N 0.69 -0.15 -0.04 0.41 3.20 0.46 -2.07 116.97 119.47 3krx h TYR 86 Ca 0.07 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 3krx h TYR 86 Cb 0.88 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 3krx h TYR 86 CO 0.05 -0.09 -0.16 0.93 -1.64 0.00 0.00 178.16 177.25 3krx h GLU 87 N -0.14 0.05 -0.38 1.82 5.08 -0.52 -1.98 114.58 118.51 3krx h GLU 87 Ca -0.00 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 3krx h GLU 87 Cb 0.12 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3krx h GLU 87 CO 0.00 0.22 -0.39 1.49 -1.00 0.00 0.00 179.01 179.33 3krx h GLU 88 N 0.05 0.93 -0.25 2.33 4.57 -1.11 -2.91 114.58 118.20 3krx h GLU 88 Ca 0.01 -0.50 -0.06 0.00 -1.18 0.00 0.00 59.36 57.64 3krx h GLU 88 Cb 0.32 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3krx h GLU 88 CO 0.02 1.15 -0.11 0.82 -1.18 0.00 0.00 179.01 179.72 3krx h ILE 89 N 0.76 1.21 -0.36 2.32 2.04 -0.68 -2.89 117.51 119.90 3krx h ILE 89 Ca 0.06 -0.90 -0.12 0.00 1.00 0.00 0.00 64.86 64.91 3krx h ILE 89 Cb 0.99 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3krx h ILE 89 CO 0.10 0.29 -0.25 0.11 0.00 0.00 0.00 178.15 178.40 3krx h LYS 90 N 0.38 0.73 -0.04 2.37 1.79 -1.27 -2.29 116.57 118.24 3krx h LYS 90 Ca 0.07 -0.30 -0.08 0.00 -2.18 0.00 0.00 60.65 58.16 3krx h LYS 90 Cb 0.42 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 3krx h LYS 90 CO 0.02 0.91 -0.35 0.87 -1.08 0.00 0.00 179.45 179.82 3krx h LYS 91 N 0.63 0.08 -0.38 3.15 1.57 -1.35 -2.83 116.57 117.44 3krx h LYS 91 Ca 0.08 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.69 3krx h LYS 91 Cb 0.75 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3krx h LYS 91 CO 0.06 0.42 -0.34 -0.92 -0.57 0.00 0.00 179.45 178.10 3krx h TYR 92 N 0.07 1.04 -0.82 -1.35 3.20 -1.29 -3.01 116.97 114.81 3krx h TYR 92 Ca 0.01 -0.29 0.07 0.00 3.14 0.00 0.00 58.73 61.66 3krx h TYR 92 Cb 0.65 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.63 3krx h TYR 92 CO 0.00 1.09 0.49 0.93 -1.64 0.00 0.00 178.16 179.04 3krx h GLU 93 N 0.73 0.85 0.00 1.82 5.08 -1.19 -2.64 114.58 119.23 3krx h GLU 93 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3krx h GLU 93 Cb 0.91 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3krx h GLU 93 CO 0.08 0.56 0.00 1.63 -1.00 0.00 0.00 179.01 180.28 3krx n LYS 94 N -4.68 0.79 -2.13 2.33 5.02 -1.11 -4.84 118.16 113.53 3krx n LYS 94 Ca 0.12 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.01 3krx n LYS 94 Cb 0.21 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 3krx n LYS 94 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3krx s LEU 95 N -1.97 4.36 -0.01 -0.35 1.43 -1.00 -4.98 118.68 116.17 3krx s LEU 95 Ca 0.37 2.63 -0.21 0.00 -1.03 0.00 0.00 54.13 55.89 3krx s LEU 95 Cb 0.17 -3.74 -0.12 0.00 0.03 0.00 0.00 46.19 42.53 3krx s LEU 95 CO 0.28 -0.60 0.89 -0.33 0.23 0.00 0.00 176.35 176.83 3krx h GLU 96 N 3.18 -0.74 -5.58 1.70 5.08 -1.91 -3.48 114.58 112.83 3krx h GLU 96 Ca -0.49 0.05 -0.56 0.00 -1.00 0.00 0.00 59.36 57.37 3krx h GLU 96 Cb 1.23 0.17 -0.14 0.00 0.50 0.00 0.00 28.75 30.51 3krx h GLU 96 CO 0.65 -0.49 -0.64 0.95 -1.00 0.00 0.00 179.01 178.48 3krx s THR 97 N -4.05 1.77 0.46 1.13 -4.23 -1.26 -5.03 115.64 104.44 3krx s THR 97 Ca -0.11 -2.08 0.13 0.00 -1.18 0.00 0.00 61.69 58.45 3krx s THR 97 Cb 0.01 -2.73 0.23 0.00 1.34 0.00 0.00 72.50 71.35 3krx s THR 97 CO 0.33 -0.13 2.06 -0.33 -0.54 0.00 0.00 174.62 176.01 3krx h GLU 98 N 2.04 0.14 0.06 3.99 5.08 -1.93 -2.75 114.58 121.21 3krx h GLU 98 Ca -0.42 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 57.69 3krx h GLU 98 Cb 1.24 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3krx h GLU 98 CO 0.72 0.17 -1.09 0.93 -1.00 0.00 0.00 179.01 178.75 3krx h GLU 99 N 0.14 0.15 -0.36 2.33 5.08 -1.97 -2.67 114.58 117.29 3krx h GLU 99 Ca 0.04 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 3krx h GLU 99 Cb 0.13 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3krx h GLU 99 CO 0.00 1.09 -0.17 0.93 -1.00 0.00 0.00 179.01 179.87 3krx h GLU 100 N 0.05 0.66 0.10 2.33 5.08 -1.93 -3.23 114.58 117.65 3krx h GLU 100 Ca -0.07 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 3krx h GLU 100 Cb 1.82 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.03 3krx h GLU 100 CO 0.16 0.80 -0.05 0.00 -1.00 0.00 0.00 179.01 178.92 3krx h ARG 101 N 0.60 -0.13 -0.95 2.33 3.08 -1.40 -2.35 114.38 115.55 3krx h ARG 101 Ca 0.10 0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.32 3krx h ARG 101 Cb 0.62 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.62 3krx h ARG 101 CO 0.04 0.17 0.60 0.28 -1.07 0.00 0.00 179.97 180.00 3krx h VAL 102 N -0.44 0.77 0.47 2.04 2.07 -1.56 0.98 116.25 120.58 3krx h VAL 102 Ca -0.01 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3krx h VAL 102 Cb 0.37 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3krx h VAL 102 CO 0.02 0.13 -0.26 0.00 0.02 0.00 0.00 177.57 177.48 3krx h ALA 103 N 1.61 -1.14 -0.06 1.67 0.00 -1.55 -3.15 119.26 116.64 3krx h ALA 103 Ca 0.50 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3krx h ALA 103 Cb 0.85 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3krx h ALA 103 CO -0.27 -1.10 -0.08 0.00 0.00 0.00 0.00 179.25 177.80 3krx h ARG 104 N -0.68 0.08 0.35 0.00 2.47 -0.72 -2.19 114.38 113.70 3krx h ARG 104 Ca -0.06 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 3krx h ARG 104 Cb 0.53 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 3krx h ARG 104 CO 0.08 0.17 -0.29 1.03 0.56 0.00 0.00 179.97 181.53 3krx h SER 105 N 0.08 -0.76 -0.57 7.04 0.87 0.94 0.57 113.55 121.72 3krx h SER 105 Ca 0.02 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 3krx h SER 105 Cb 0.20 0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 3krx h SER 105 CO 0.01 -0.40 0.21 -0.09 -0.53 0.00 0.00 176.83 176.03 3krx h ARG 106 N -0.62 0.91 -0.97 2.24 2.43 -1.56 -2.40 114.38 114.41 3krx h ARG 106 Ca -0.05 -0.16 0.13 0.00 -0.81 0.00 0.00 59.98 59.09 3krx h ARG 106 Cb 0.52 -0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 29.84 3krx h ARG 106 CO 0.00 0.77 0.61 1.49 -1.51 0.00 0.00 179.97 181.34 3krx h GLU 107 N 0.89 0.86 -0.03 0.20 4.81 -1.22 -1.50 114.58 118.59 3krx h GLU 107 Ca 0.20 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3krx h GLU 107 Cb 0.23 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3krx h GLU 107 CO -0.01 0.57 -0.10 0.82 -0.73 0.00 0.00 179.01 179.56 3krx h ILE 108 N 0.88 1.48 0.00 2.32 2.04 -0.39 -3.28 117.51 120.57 3krx h ILE 108 Ca 0.49 -1.56 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 3krx h ILE 108 Cb 0.59 2.45 -0.00 0.00 -0.74 0.00 0.00 36.82 39.12 3krx h ILE 108 CO -0.26 0.42 -0.09 0.15 0.00 0.00 0.00 178.15 178.38 3krx h PHE 109 N -0.48 0.00 -0.23 1.37 3.57 -1.18 -2.90 116.94 117.09 3krx h PHE 109 Ca -0.00 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 3krx h PHE 109 Cb 0.74 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 3krx h PHE 109 CO 0.14 0.09 -0.38 0.22 -2.23 0.00 0.00 178.31 176.15 3krx h ASP 110 N 0.00 0.73 0.00 0.41 1.82 -1.34 -3.38 116.42 114.67 3krx h ASP 110 Ca -0.00 -0.53 0.00 0.00 -0.39 0.00 0.00 57.03 56.11 3krx h ASP 110 Cb 0.28 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.08 3krx h ASP 110 CO 0.01 1.12 0.00 -0.24 -1.61 0.00 0.00 179.24 178.52 3krx n SER 111 N -4.23 0.00 0.01 2.28 2.88 -1.10 -4.37 113.62 109.09 3krx n SER 111 Ca -0.05 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.61 3krx n SER 111 Cb 0.53 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.55 3krx n SER 111 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3krx h TYR 112 N 0.00 0.27 -0.10 0.66 0.05 -1.85 -2.64 116.97 113.35 3krx h TYR 112 Ca 0.00 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 3krx h TYR 112 Cb 0.00 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 3krx h TYR 112 CO 0.00 0.14 -0.23 0.82 -1.05 0.00 0.00 178.16 177.84 3krx h ILE 113 N 0.26 1.21 0.00 -2.88 1.08 -1.73 -1.47 117.51 113.98 3krx h ILE 113 Ca 0.21 -0.99 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 3krx h ILE 113 Cb 0.49 1.39 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 3krx h ILE 113 CO -0.04 0.30 0.00 0.24 -0.69 0.00 0.00 178.15 177.96 3krx h MET 114 N 0.16 0.00 0.17 2.37 2.86 -1.66 -1.09 114.93 117.75 3krx h MET 114 Ca 0.03 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.39 3krx h MET 114 Cb 0.50 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.19 3krx h MET 114 CO 0.03 0.00 -1.21 -0.22 1.06 0.00 0.00 176.91 176.58 3krx h LYS 115 N 0.00 0.51 0.00 1.72 3.64 -1.48 -3.31 116.57 117.66 3krx h LYS 115 Ca 0.00 -0.78 -0.12 0.00 -1.27 0.00 0.00 60.65 58.48 3krx h LYS 115 Cb 0.79 0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 3krx h LYS 115 CO 0.00 1.36 -0.56 0.93 -2.27 0.00 0.00 179.45 178.91 3krx h GLU 116 N 0.05 0.00 0.00 1.90 4.39 -1.17 -2.74 114.58 117.02 3krx h GLU 116 Ca -0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.50 3krx h GLU 116 Cb 1.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.57 3krx h GLU 116 CO 0.23 0.56 -0.03 1.28 -1.16 0.00 0.00 179.01 179.89 3krx n LEU 117 N -3.39 0.72 -0.53 1.33 4.77 -0.42 -3.17 117.00 116.31 3krx n LEU 117 Ca 0.01 0.55 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 3krx n LEU 117 Cb 0.69 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 3krx n LEU 117 CO 0.41 -0.15 0.33 0.18 -1.33 0.00 0.00 177.39 176.83 3krx n LEU 118 N -2.17 2.09 0.00 2.23 4.77 -1.16 -4.96 117.00 117.80 3krx n LEU 118 Ca 0.06 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 3krx n LEU 118 Cb 0.42 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3krx n LEU 118 CO 0.30 0.39 0.00 0.00 -1.33 0.00 0.00 177.39 176.75 3krx n ALA 119 N 0.07 0.00 -3.93 -1.18 0.00 -1.04 -5.08 120.51 109.35 3krx n ALA 119 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.17 3krx n ALA 119 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.94 3krx n ALA 119 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3krx n HIS 122 N 0.00 -1.71 -3.22 0.00 8.25 -1.26 -5.12 115.22 112.16 3krx n HIS 122 Ca 0.00 0.42 -0.29 0.00 -0.26 0.00 0.00 57.72 57.58 3krx n HIS 122 Cb 0.00 -2.83 -0.03 0.00 1.12 0.00 0.00 29.99 28.25 3krx n HIS 122 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3krx s PRO 123 N -6.28 3.70 0.62 -0.41 0.04 -1.26 -4.71 135.00 126.70 3krx s PRO 123 Ca 0.28 0.17 -0.09 0.00 0.04 0.00 0.00 61.00 61.40 3krx s PRO 123 Cb -0.15 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 31.80 3krx s PRO 123 CO 0.93 0.16 0.99 -0.06 0.04 0.00 0.00 177.00 179.06 3krx s PHE 124 N -2.12 3.44 0.45 0.56 2.99 -1.26 -5.05 117.98 116.98 3krx s PHE 124 Ca 0.46 1.01 -0.21 0.00 0.00 0.00 0.00 56.93 58.19 3krx s PHE 124 Cb -0.11 -2.77 -0.10 0.00 0.00 0.00 0.00 43.02 40.04 3krx s PHE 124 CO 0.29 -0.82 1.00 -1.54 -0.00 0.00 0.00 175.22 174.15 3krx s SER 125 N -4.25 6.68 0.17 1.36 1.04 -1.26 -4.95 113.70 112.48 3krx s SER 125 Ca 0.55 1.83 -0.14 0.00 0.48 0.00 0.00 55.95 58.67 3krx s SER 125 Cb -0.11 -2.55 0.08 0.00 0.10 0.00 0.00 66.02 63.54 3krx s SER 125 CO 0.50 -0.55 1.82 0.11 0.98 0.00 0.00 173.24 176.11 3krx h LYS 126 N 1.85 0.63 -0.91 4.02 1.57 -1.99 -2.00 116.57 119.73 3krx h LYS 126 Ca -0.49 -0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.38 3krx h LYS 126 Cb 1.20 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.30 3krx h LYS 126 CO 0.60 0.42 0.59 1.03 -0.57 0.00 0.00 179.45 181.52 3krx h SER 127 N 0.65 0.73 0.05 0.86 0.87 -2.00 -0.66 113.55 114.05 3krx h SER 127 Ca 0.20 0.04 -0.22 0.00 -1.23 0.00 0.00 61.79 60.58 3krx h SER 127 Cb -0.02 -0.11 0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3krx h SER 127 CO -0.07 0.38 -0.90 0.00 -0.53 0.00 0.00 176.83 175.71 3krx h ALA 128 N 1.58 0.04 -0.35 6.23 0.00 -1.83 -3.28 119.26 121.64 3krx h ALA 128 Ca 0.45 -0.67 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 3krx h ALA 128 Cb 0.63 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3krx h ALA 128 CO -0.22 0.52 -0.16 1.15 0.00 0.00 0.00 179.25 180.54 3krx h THR 129 N 0.08 1.26 -0.50 0.00 2.02 -1.11 -3.04 112.91 111.61 3krx h THR 129 Ca -0.13 -1.19 0.10 0.00 0.77 0.00 0.00 66.41 65.96 3krx h THR 129 Cb 1.61 1.17 -0.09 0.00 -1.74 0.00 0.00 68.15 69.09 3krx h THR 129 CO 0.18 0.39 -0.11 -0.08 0.37 0.00 0.00 175.52 176.26 3krx h GLU 130 N 0.58 0.01 -0.13 6.66 4.81 -1.18 0.17 114.58 125.49 3krx h GLU 130 Ca 0.09 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3krx h GLU 130 Cb 0.61 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 3krx h GLU 130 CO 0.04 0.01 -0.10 1.25 -0.73 0.00 0.00 179.01 179.48 3krx h HIS 131 N 0.01 0.35 -0.18 0.92 2.76 -1.61 -1.45 115.15 115.95 3krx h HIS 131 Ca 0.24 -0.10 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3krx h HIS 131 Cb 0.37 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 3krx h HIS 131 CO -0.42 0.67 0.10 0.28 -1.30 0.00 0.00 177.93 177.26 3krx h VAL 132 N -0.07 1.09 0.00 5.26 2.07 -1.38 -2.53 116.25 120.69 3krx h VAL 132 Ca 0.03 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 3krx h VAL 132 Cb 0.59 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3krx h VAL 132 CO 0.03 0.09 -0.32 -0.61 0.02 0.00 0.00 177.57 176.77 3krx h GLN 133 N 0.19 0.00 -0.21 1.57 4.15 -0.73 -2.01 115.11 118.08 3krx h GLN 133 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3krx h GLN 133 Cb 0.05 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3krx h GLN 133 CO -0.01 0.32 0.08 0.78 -1.93 0.00 0.00 178.83 178.07 3krx h GLY 134 N 1.70 0.34 0.81 2.39 0.00 -0.93 -1.04 103.07 106.34 3krx h GLY 134 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3krx h GLY 134 CO 0.04 0.18 0.02 0.45 0.00 0.00 0.00 176.54 177.23 3krx h HIS 135 N 0.18 0.31 -0.84 5.60 3.86 -1.34 -3.25 115.15 119.68 3krx h HIS 135 Ca 0.07 -0.05 0.08 0.00 -1.16 0.00 0.00 60.37 59.31 3krx h HIS 135 Cb 0.19 -0.08 -0.07 0.00 1.06 0.00 0.00 27.41 28.51 3krx h HIS 135 CO -0.01 0.47 0.50 -0.07 0.86 0.00 0.00 177.93 179.68 3krx h LEU 136 N 0.06 0.75 -1.91 2.43 3.38 -1.31 -1.91 115.31 116.80 3krx h LEU 136 Ca 0.05 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3krx h LEU 136 Cb 0.34 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3krx h LEU 136 CO 0.01 0.45 0.13 1.23 0.09 0.00 0.00 178.44 180.35 3krx h GLY 137 N 0.87 0.14 -1.18 0.83 0.00 -1.22 -2.13 103.07 100.37 3krx h GLY 137 Ca 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3krx h GLY 137 CO -0.21 0.04 0.00 0.28 0.00 0.00 0.00 176.54 176.65 3krx n LYS 138 N -4.50 1.96 -1.48 4.80 5.02 -0.74 -4.95 118.16 118.27 3krx n LYS 138 Ca 0.01 -1.42 -0.16 0.00 -2.02 0.00 0.00 58.31 54.72 3krx n LYS 138 Cb 0.18 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.67 3krx n LYS 138 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3krx n LYS 139 N 0.68 -1.12 -3.52 1.97 5.02 -0.80 -5.00 118.16 115.38 3krx n LYS 139 Ca 0.17 1.06 -0.37 0.00 -2.02 0.00 0.00 58.31 57.16 3krx n LYS 139 Cb 0.44 -5.25 -0.07 0.00 -0.02 0.00 0.00 35.03 30.13 3krx n LYS 139 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3krx s GLN 140 N -3.39 4.26 -0.40 1.97 -2.07 -1.12 -4.99 119.66 113.92 3krx s GLN 140 Ca 0.00 0.11 0.02 0.00 -1.82 0.00 0.00 55.36 53.67 3krx s GLN 140 Cb 0.00 -3.43 0.15 0.00 -1.09 0.00 0.00 33.01 28.63 3krx s GLN 140 CO 0.00 0.21 0.26 0.14 -1.32 0.00 0.00 175.29 174.58 3krx s VAL 141 N 0.53 0.57 0.80 3.63 -7.23 -1.26 -4.31 120.40 113.14 3krx s VAL 141 Ca 0.17 -2.20 -0.08 0.00 -1.81 0.00 0.00 61.98 58.06 3krx s VAL 141 Cb -0.13 -1.41 0.14 0.00 0.56 0.00 0.00 36.38 35.54 3krx s VAL 141 CO 0.04 -1.03 1.12 -2.16 -0.31 0.00 0.00 175.10 172.76 3krx s PRO 142 N 0.59 1.43 0.26 4.82 0.04 -1.26 -4.85 135.00 136.02 3krx s PRO 142 Ca 0.22 -0.66 0.03 0.00 0.04 0.00 0.00 61.00 60.63 3krx s PRO 142 Cb -0.17 -2.12 0.33 0.00 0.04 0.00 0.00 34.50 32.59 3krx s PRO 142 CO -0.05 -1.75 1.64 -1.00 0.04 0.00 0.00 177.00 175.89 3krx h PRO 143 N -0.94 0.37 -0.91 0.56 0.13 -1.93 -3.12 132.00 126.16 3krx h PRO 143 Ca -0.41 -0.19 0.21 0.00 -0.87 0.00 0.00 66.00 64.74 3krx h PRO 143 Cb 1.27 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.34 3krx h PRO 143 CO 0.44 0.74 0.61 -0.44 -0.23 0.00 0.00 178.00 179.12 3krx h ASP 144 N 0.30 0.36 -0.16 1.44 3.32 -1.99 -3.30 116.42 116.39 3krx h ASP 144 Ca 0.02 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.14 3krx h ASP 144 Cb 0.89 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 3krx h ASP 144 CO 0.07 0.14 -0.04 -0.11 -1.72 0.00 0.00 179.24 177.58 3krx n LEU 145 N -4.49 -0.06 -1.13 1.55 7.94 -1.18 0.74 117.00 120.36 3krx n LEU 145 Ca 0.20 0.28 0.11 0.00 -1.11 0.00 0.00 56.01 55.48 3krx n LEU 145 Cb 0.74 -0.08 0.24 0.00 0.53 0.00 0.00 43.42 44.85 3krx n LEU 145 CO 0.31 -0.26 0.71 0.49 -1.11 0.00 0.00 177.39 177.53 3krx n PHE 146 N -4.26 0.65 -0.17 1.96 3.72 -1.24 -4.62 117.46 113.50 3krx n PHE 146 Ca 0.02 -0.37 0.04 0.00 -0.05 0.00 0.00 57.45 57.10 3krx n PHE 146 Cb 0.08 -0.00 0.32 0.00 -0.94 0.00 0.00 39.48 38.94 3krx n PHE 146 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3krx h GLN 147 N 3.98 0.81 -0.74 -1.08 5.75 0.08 -1.10 115.11 122.81 3krx h GLN 147 Ca 0.00 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3krx h GLN 147 Cb 0.93 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 29.26 3krx h GLN 147 CO 0.00 0.53 0.49 -1.35 -2.65 0.00 0.00 178.83 175.85 3krx h PRO 148 N 0.83 0.95 0.00 -2.39 0.11 -1.82 -2.57 132.00 127.11 3krx h PRO 148 Ca 0.28 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.26 3krx h PRO 148 Cb 0.07 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 3krx h PRO 148 CO -0.08 0.63 -0.36 1.88 -0.21 0.00 0.00 178.00 179.86 3krx h TYR 149 N 0.97 0.00 0.25 0.65 0.99 -1.55 -2.93 116.97 115.34 3krx h TYR 149 Ca 0.27 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.99 3krx h TYR 149 Cb -0.08 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.65 3krx h TYR 149 CO -0.00 0.36 -0.12 0.82 -0.00 0.00 0.00 178.16 179.22 3krx h ILE 150 N 0.00 0.80 -0.50 -2.88 1.08 -1.06 -2.18 117.51 112.79 3krx h ILE 150 Ca -0.00 -0.31 0.05 0.00 -0.39 0.00 0.00 64.86 64.21 3krx h ILE 150 Cb 0.88 0.98 -0.05 0.00 -3.07 0.00 0.00 36.82 35.56 3krx h ILE 150 CO 0.05 0.07 0.23 -0.33 -0.69 0.00 0.00 178.15 177.48 3krx h GLU 151 N -0.49 0.45 0.00 2.37 5.08 -1.49 -1.63 114.58 118.87 3krx h GLU 151 Ca -0.03 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3krx h GLU 151 Cb 0.37 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3krx h GLU 151 CO 0.06 0.29 -0.36 0.93 -1.00 0.00 0.00 179.01 178.93 3krx h GLU 152 N 0.46 0.00 -0.10 2.33 5.08 -1.54 -1.64 114.58 119.16 3krx h GLU 152 Ca 0.22 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3krx h GLU 152 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3krx h GLU 152 CO -0.17 0.36 0.03 0.82 -1.00 0.00 0.00 179.01 179.05 3krx h ILE 153 N 0.00 1.19 -0.63 3.13 2.04 -0.70 -2.98 117.51 119.56 3krx h ILE 153 Ca -0.00 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.30 3krx h ILE 153 Cb 0.68 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 3krx h ILE 153 CO 0.05 0.17 0.39 0.00 0.00 0.00 0.00 178.15 178.76 3krx h GLN 155 N 0.78 0.30 0.00 0.00 5.75 -1.30 0.19 115.11 120.82 3krx h GLN 155 Ca 0.25 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.62 3krx h GLN 155 Cb 0.01 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3krx h GLN 155 CO -0.10 0.20 -0.70 -0.91 -2.65 0.00 0.00 178.83 174.67 3krx h ASN 156 N 0.31 0.00 1.02 -0.69 2.35 -1.05 -3.32 115.58 114.19 3krx h ASN 156 Ca 0.51 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 56.06 3krx h ASN 156 Cb 0.96 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.30 3krx h ASN 156 CO -0.56 0.48 -1.00 -0.07 -1.65 0.00 0.00 177.43 174.63 3krx h LEU 157 N 0.00 0.00 -0.16 1.61 3.38 0.46 -3.36 115.31 117.24 3krx h LEU 157 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3krx h LEU 157 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3krx h LEU 157 CO 0.06 0.94 -0.29 -2.11 0.09 0.00 0.00 178.44 177.12 3krx n ARG 158 N -3.31 0.33 0.00 1.13 1.85 0.54 -1.89 116.66 115.31 3krx n ARG 158 Ca -0.01 -0.16 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 3krx n ARG 158 Cb 0.92 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.84 3krx n ARG 158 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3krx n GLY 159 N 1.42 1.37 0.19 2.89 0.00 -1.25 -4.43 105.19 105.37 3krx n GLY 159 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 3krx n GLY 159 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3krx h ASP 160 N 0.00 0.27 -0.50 1.61 3.32 -1.86 -2.99 116.42 116.27 3krx h ASP 160 Ca 0.00 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 56.95 3krx h ASP 160 Cb 0.00 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3krx h ASP 160 CO 0.00 0.71 0.33 0.58 -1.72 0.00 0.00 179.24 179.14 3krx h VAL 161 N 0.20 1.07 -0.03 -1.35 2.07 -1.77 0.13 116.25 116.56 3krx h VAL 161 Ca 0.01 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.23 3krx h VAL 161 Cb 0.93 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3krx h VAL 161 CO 0.07 0.11 -0.37 0.15 0.02 0.00 0.00 177.57 177.56 3krx h PHE 162 N 0.59 0.43 -0.45 1.57 3.57 -1.31 -2.91 116.94 118.43 3krx h PHE 162 Ca 0.20 -0.21 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 3krx h PHE 162 Cb 0.06 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3krx h PHE 162 CO -0.00 0.99 0.09 1.96 -2.23 0.00 0.00 178.31 179.12 3krx h GLN 163 N -0.25 0.67 -0.32 1.11 1.08 -1.29 -0.01 115.11 116.11 3krx h GLN 163 Ca -0.04 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.00 3krx h GLN 163 Cb 1.06 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 3krx h GLN 163 CO 0.07 0.62 0.05 0.87 -0.95 0.00 0.00 178.83 179.49 3krx h LYS 164 N 0.65 0.48 -0.46 1.46 1.57 -0.84 -2.53 116.57 116.90 3krx h LYS 164 Ca 0.15 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 3krx h LYS 164 Cb 0.27 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3krx h LYS 164 CO -0.00 0.47 -0.14 0.35 -0.57 0.00 0.00 179.45 179.56 3krx h PHE 165 N 0.47 1.03 -0.81 -1.35 3.57 -0.85 -2.82 116.94 116.17 3krx h PHE 165 Ca 0.11 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 3krx h PHE 165 Cb 0.24 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 3krx h PHE 165 CO 0.01 1.01 0.43 0.82 -2.23 0.00 0.00 178.31 178.35 3krx h ILE 166 N 0.75 1.24 0.00 1.41 1.08 -0.79 -1.64 117.51 119.56 3krx h ILE 166 Ca 0.11 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 3krx h ILE 166 Cb 0.70 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 3krx h ILE 166 CO 0.05 0.28 0.00 -0.33 -0.69 0.00 0.00 178.15 177.46 3krx h GLU 167 N 1.13 0.00 -6.85 2.37 5.08 -1.42 -3.44 114.58 111.46 3krx h GLU 167 Ca 0.28 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 58.17 3krx h GLU 167 Cb 0.05 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.34 3krx h GLU 167 CO -0.04 0.00 0.02 -1.54 -1.00 0.00 0.00 179.01 176.45 3krx s SER 168 N -5.33 5.94 0.25 1.42 1.04 -0.62 -4.98 113.70 111.43 3krx s SER 168 Ca 0.01 0.59 0.19 0.00 0.48 0.00 0.00 55.95 57.22 3krx s SER 168 Cb 0.09 -1.83 0.94 0.00 0.10 0.00 0.00 66.02 65.32 3krx s SER 168 CO 0.49 -0.71 1.57 -0.90 0.98 0.00 0.00 173.24 174.67 3krx n ASP 169 N -2.23 0.48 0.11 7.02 5.68 -1.26 -1.74 116.55 124.61 3krx n ASP 169 Ca 0.01 0.69 -0.00 0.00 -0.50 0.00 0.00 54.79 54.99 3krx n ASP 169 Cb 0.57 -0.77 -0.02 0.00 -1.14 0.00 0.00 41.12 39.76 3krx n ASP 169 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3krx h LYS 170 N 0.00 0.00 -0.19 0.11 1.79 -1.92 -1.07 116.57 115.29 3krx h LYS 170 Ca 0.00 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 3krx h LYS 170 Cb 0.09 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.74 3krx h LYS 170 CO 0.00 0.59 -0.58 0.35 -1.08 0.00 0.00 179.45 178.73 3krx h PHE 171 N 0.00 0.94 -0.83 -1.35 3.57 -1.46 -0.52 116.94 117.29 3krx h PHE 171 Ca -0.03 -0.38 0.14 0.00 3.53 0.00 0.00 57.97 61.24 3krx h PHE 171 Cb 1.51 -0.16 -0.09 0.00 2.79 0.00 0.00 35.95 39.99 3krx h PHE 171 CO 0.00 1.18 0.41 1.15 -2.23 0.00 0.00 178.31 178.82 3krx h THR 172 N 0.43 0.72 -0.10 4.41 2.02 -1.44 -0.77 112.91 118.18 3krx h THR 172 Ca -0.02 -0.20 -0.16 0.00 0.77 0.00 0.00 66.41 66.79 3krx h THR 172 Cb 1.20 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3krx h THR 172 CO 0.12 0.11 -0.64 -0.09 0.37 0.00 0.00 175.52 175.39 3krx h ARG 173 N 0.59 0.37 -0.77 6.66 9.65 -1.09 -1.99 114.38 127.80 3krx h ARG 173 Ca 0.45 -0.27 0.05 0.00 -1.10 0.00 0.00 59.98 59.12 3krx h ARG 173 Cb 0.64 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.21 3krx h ARG 173 CO -0.36 0.88 0.47 0.35 2.80 0.00 0.00 179.97 184.11 3krx h PHE 174 N 0.27 0.86 -0.34 2.20 -0.00 -0.19 -2.43 116.94 117.32 3krx h PHE 174 Ca -0.01 0.03 -0.14 0.00 -0.00 0.00 0.00 57.97 57.85 3krx h PHE 174 Cb 1.18 -0.28 -0.01 0.00 -0.00 0.00 0.00 35.95 36.84 3krx h PHE 174 CO 0.03 0.45 -0.34 0.00 -0.00 0.00 0.00 178.31 178.46 3krx h GLN 176 N 0.64 0.47 -0.20 0.00 4.20 -1.16 -1.44 115.11 117.62 3krx h GLN 176 Ca 0.07 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.58 3krx h GLN 176 Cb 0.87 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 3krx h GLN 176 CO 0.08 0.31 -0.56 -1.49 -0.67 0.00 0.00 178.83 176.50 3krx h TRP 177 N 0.48 0.75 -0.22 2.96 4.06 -0.95 -3.15 115.95 119.89 3krx h TRP 177 Ca 0.29 -0.27 -0.13 0.00 2.06 0.00 0.00 58.89 60.84 3krx h TRP 177 Cb 0.29 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 3krx h TRP 177 CO -0.13 1.02 -0.40 -0.22 -3.56 0.00 0.00 178.44 175.15 3krx h LYS 178 N 0.46 0.50 -0.29 0.49 1.63 -0.54 -2.38 116.57 116.44 3krx h LYS 178 Ca 0.01 -0.25 0.05 0.00 -0.85 0.00 0.00 60.65 59.61 3krx h LYS 178 Cb 1.11 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.69 3krx h LYS 178 CO 0.11 0.81 -0.03 -0.97 -3.45 0.00 0.00 179.45 175.93 3krx h ASN 179 N 0.41 -0.17 -0.91 4.20 -0.73 -1.27 -2.22 115.58 114.90 3krx h ASN 179 Ca 0.04 0.07 0.02 0.00 1.87 0.00 0.00 56.30 58.30 3krx h ASN 179 Cb 0.87 0.14 -0.05 0.00 0.27 0.00 0.00 38.32 39.55 3krx h ASN 179 CO 0.07 -0.05 0.60 0.58 -0.37 0.00 0.00 177.43 178.26 3krx h VAL 180 N 0.05 1.19 -0.52 2.57 2.07 -1.40 -2.30 116.25 117.91 3krx h VAL 180 Ca 0.14 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 3krx h VAL 180 Cb 0.20 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 3krx h VAL 180 CO -0.26 0.22 0.20 -0.08 0.02 0.00 0.00 177.57 177.67 3krx h GLU 181 N 1.19 0.79 -0.31 1.57 4.81 -0.98 -2.99 114.58 118.67 3krx h GLU 181 Ca 0.35 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3krx h GLU 181 Cb -0.06 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.19 3krx h GLU 181 CO -0.09 0.71 0.00 1.28 -0.73 0.00 0.00 179.01 180.17 3krx n LEU 182 N -4.52 1.93 -0.18 1.64 4.77 -0.88 -3.48 117.00 116.29 3krx n LEU 182 Ca 0.02 -0.91 0.08 0.00 -0.03 0.00 0.00 56.01 55.17 3krx n LEU 182 Cb 0.17 -0.20 0.13 0.00 -2.33 0.00 0.00 43.42 41.19 3krx n LEU 182 CO 0.38 0.46 0.58 -3.20 -1.33 0.00 0.00 177.39 174.28 3krx n ASN 183 N 0.53 2.51 -4.60 -1.43 5.15 -0.90 -4.52 115.26 112.00 3krx n ASN 183 Ca 0.14 -2.88 -0.43 0.00 -0.60 0.00 0.00 54.58 50.81 3krx n ASN 183 Cb 0.33 -0.37 -0.02 0.00 -0.53 0.00 0.00 39.78 39.18 3krx n ASN 183 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3krx s ILE 184 N -2.53 3.72 -0.23 -1.44 1.01 -1.22 -4.95 121.20 115.55 3krx s ILE 184 Ca 0.28 0.72 0.02 0.00 0.00 0.00 0.00 60.65 61.66 3krx s ILE 184 Cb 0.24 -4.02 0.04 0.00 0.01 0.00 0.00 42.46 38.73 3krx s ILE 184 CO 0.04 -0.69 -0.13 -1.00 0.00 0.00 0.00 174.94 173.16 3krx s HIS 185 N 6.15 3.09 -0.04 3.97 3.76 -1.26 -5.04 115.29 125.92 3krx s HIS 185 Ca 0.67 -1.99 -0.01 0.00 -0.15 0.00 0.00 55.06 53.57 3krx s HIS 185 Cb -0.16 -1.95 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 3krx s HIS 185 CO 0.32 -0.84 0.07 -0.51 -0.85 0.00 0.00 174.74 172.93 3krx s LEU 186 N 1.20 3.88 0.33 0.89 1.43 -1.26 -5.06 118.68 120.09 3krx s LEU 186 Ca -0.03 0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3krx s LEU 186 Cb -0.17 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 3krx s LEU 186 CO -0.07 0.31 0.42 0.42 0.23 0.00 0.00 176.35 177.66 3krx s THR 187 N -1.11 0.00 -0.44 5.49 -4.23 -1.26 -4.76 115.64 109.33 3krx s THR 187 Ca 0.20 -1.69 0.26 0.00 -1.18 0.00 0.00 61.69 59.28 3krx s THR 187 Cb -0.12 -2.59 0.29 0.00 1.34 0.00 0.00 72.50 71.42 3krx s THR 187 CO 0.10 0.00 1.77 0.24 -0.54 0.00 0.00 174.62 176.19 3krx h MET 188 N 2.14 0.00 -0.77 3.99 0.00 -1.98 -2.46 114.93 115.85 3krx h MET 188 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.43 3krx h MET 188 Cb 1.24 0.00 -0.04 0.00 0.00 0.00 0.00 31.60 32.80 3krx h MET 188 CO 0.39 0.00 0.50 -0.91 0.00 0.00 0.00 176.91 176.89 3krx h ASN 189 N 0.00 0.89 0.90 1.22 -0.26 -2.02 -3.09 115.58 113.23 3krx h ASN 189 Ca 0.00 -0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.67 3krx h ASN 189 Cb 0.54 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 3krx h ASN 189 CO 0.00 0.66 -0.18 0.44 -1.06 0.00 0.00 177.43 177.29 3krx h ASP 190 N 1.05 0.00 -3.68 5.81 3.45 -1.85 -3.44 116.42 117.76 3krx h ASP 190 Ca 0.28 0.00 -0.68 0.00 0.43 0.00 0.00 57.03 57.06 3krx h ASP 190 Cb -0.10 0.00 -0.19 0.00 -0.56 0.00 0.00 39.33 38.48 3krx h ASP 190 CO -0.06 0.18 -0.71 -0.36 -1.57 0.00 0.00 179.24 176.72 3krx s PHE 191 N -3.69 2.88 -0.46 4.55 0.08 -1.17 -0.91 117.98 119.27 3krx s PHE 191 Ca 0.00 -0.03 -0.09 0.00 0.12 0.00 0.00 56.93 56.93 3krx s PHE 191 Cb 0.10 -1.65 0.11 0.00 -0.57 0.00 0.00 43.02 41.01 3krx s PHE 191 CO 0.62 0.34 0.32 0.45 -0.10 0.00 0.00 175.22 176.84 3krx s SER 192 N -1.11 5.68 0.33 1.36 0.15 -0.49 -4.92 113.70 114.69 3krx s SER 192 Ca 0.15 -1.81 -0.26 0.00 0.70 0.00 0.00 55.95 54.73 3krx s SER 192 Cb -0.11 -2.00 -0.10 0.00 -1.71 0.00 0.00 66.02 62.10 3krx s SER 192 CO 0.04 -0.65 0.96 -0.69 1.20 0.00 0.00 173.24 174.10 3krx s VAL 193 N 1.37 4.15 0.00 4.45 1.01 -1.26 -2.17 120.40 127.95 3krx s VAL 193 Ca 0.05 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.81 3krx s VAL 193 Cb -0.25 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3krx s VAL 193 CO -0.00 0.14 0.00 1.41 0.00 0.00 0.00 175.10 176.65 3krx n HIS 194 N 0.53 0.00 -4.31 5.22 8.25 -0.04 -4.99 115.22 119.88 3krx n HIS 194 Ca 0.02 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.27 3krx n HIS 194 Cb 0.50 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.50 3krx n HIS 194 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3krx s ARG 195 N 0.00 1.23 0.26 -0.41 0.52 -1.22 -4.95 118.95 114.37 3krx s ARG 195 Ca 0.00 -1.39 -0.29 0.00 -0.52 0.00 0.00 55.73 53.52 3krx s ARG 195 Cb 0.00 -1.21 -0.09 0.00 0.52 0.00 0.00 34.95 34.16 3krx s ARG 195 CO 0.00 0.24 0.98 0.42 0.02 0.00 0.00 175.30 176.95 3krx s ILE 196 N -2.17 3.95 -0.20 1.52 1.09 -1.26 -1.21 121.20 122.92 3krx s ILE 196 Ca 0.15 1.93 0.21 0.00 -1.10 0.00 0.00 60.65 61.84 3krx s ILE 196 Cb -0.05 -4.21 0.45 0.00 -1.06 0.00 0.00 42.46 37.59 3krx s ILE 196 CO 0.06 0.43 1.18 2.30 -0.10 0.00 0.00 174.94 178.81 3krx n ILE 197 N 1.31 0.73 0.00 2.92 -5.35 -0.73 -4.91 119.36 113.34 3krx n ILE 197 Ca -0.01 -2.05 0.00 0.00 -0.27 0.00 0.00 62.75 60.42 3krx n ILE 197 Cb 0.47 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 3krx n ILE 197 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3krx n GLY 198 N -0.45 3.55 3.86 3.28 0.00 -1.22 -4.85 105.19 109.37 3krx n GLY 198 Ca 0.01 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 3krx n GLY 198 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3krx s ARG 199 N -1.01 2.61 0.00 1.61 0.52 -1.26 -0.36 118.95 121.06 3krx s ARG 199 Ca 0.00 -1.43 0.00 0.00 -0.52 0.00 0.00 55.73 53.78 3krx s ARG 199 Cb 0.00 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 33.06 3krx s ARG 199 CO 0.00 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.68 3krx n GLY 200 N -1.45 3.32 0.09 -3.53 0.00 -0.49 -4.87 105.19 98.26 3krx n GLY 200 Ca 0.01 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 3krx n GLY 200 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3krx h GLY 201 N 0.00 0.00 0.55 -0.02 0.00 -2.01 -3.41 103.07 98.18 3krx h GLY 201 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3krx h GLY 201 CO 0.00 0.00 -1.33 0.69 0.00 0.00 0.00 176.54 175.90 3krx n PHE 202 N -4.50 0.45 -2.91 5.60 0.99 -1.26 -4.99 117.46 110.84 3krx n PHE 202 Ca -0.24 0.13 0.00 0.00 -0.00 0.00 0.00 57.45 57.34 3krx n PHE 202 Cb 0.59 -0.65 0.00 0.00 -1.00 0.00 0.00 39.48 38.42 3krx n PHE 202 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3krx n GLY 203 N 1.26 1.43 2.88 1.37 0.00 -1.26 -0.35 105.19 110.53 3krx n GLY 203 Ca -0.01 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 3krx n GLY 203 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3krx s GLU 204 N 0.08 0.29 0.22 1.61 1.03 -1.12 -1.39 118.70 119.42 3krx s GLU 204 Ca 0.00 -0.04 -0.30 0.00 0.03 0.00 0.00 54.97 54.66 3krx s GLU 204 Cb 0.00 -0.35 -0.09 0.00 -0.80 0.00 0.00 34.13 32.89 3krx s GLU 204 CO 0.00 -0.01 0.98 0.08 -1.33 0.00 0.00 175.26 174.98 3krx s VAL 205 N 0.36 4.02 0.49 1.83 1.01 0.51 -3.21 120.40 125.40 3krx s VAL 205 Ca -0.03 1.95 0.02 0.00 0.00 0.00 0.00 61.98 63.92 3krx s VAL 205 Cb -0.06 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3krx s VAL 205 CO -0.01 0.43 0.01 -0.31 0.00 0.00 0.00 175.10 175.23 3krx s TYR 206 N -0.94 1.96 -0.04 5.22 1.51 0.14 -1.77 117.35 123.43 3krx s TYR 206 Ca 0.43 -0.93 0.06 0.00 -1.01 0.00 0.00 57.07 55.63 3krx s TYR 206 Cb -0.27 -1.62 -0.02 0.00 -0.11 0.00 0.00 41.96 39.95 3krx s TYR 206 CO 0.33 0.24 -0.23 0.20 -1.11 0.00 0.00 175.55 174.98 3krx s GLY 207 N -3.84 1.33 0.15 0.71 0.00 -0.35 -2.24 107.32 103.08 3krx s GLY 207 Ca 0.11 -1.07 -0.19 0.00 0.00 0.00 0.00 44.72 43.57 3krx s GLY 207 CO 0.06 -0.81 0.51 0.00 0.00 0.00 0.00 173.10 172.85 3krx s ARG 209 N -3.79 2.74 -0.36 0.00 3.52 -0.92 -0.71 118.95 119.43 3krx s ARG 209 Ca 0.03 -0.56 -0.24 0.00 -0.13 0.00 0.00 55.73 54.83 3krx s ARG 209 Cb 0.00 -2.60 0.01 0.00 -1.56 0.00 0.00 34.95 30.81 3krx s ARG 209 CO -0.11 0.66 0.83 0.21 -0.81 0.00 0.00 175.30 176.08 3krx s LYS 210 N -0.93 3.78 0.54 5.12 2.20 -0.50 -1.40 119.74 128.55 3krx s LYS 210 Ca 0.13 0.41 0.27 0.00 -0.36 0.00 0.00 55.97 56.42 3krx s LYS 210 Cb -0.11 -3.81 1.54 0.00 -1.51 0.00 0.00 37.83 33.94 3krx s LYS 210 CO 0.03 -0.88 2.12 0.00 -0.36 0.00 0.00 175.35 176.26 3krx h ALA 211 N 8.47 1.38 0.34 3.13 0.00 -1.37 0.80 119.26 132.02 3krx h ALA 211 Ca -0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3krx h ALA 211 Cb 1.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3krx h ALA 211 CO 0.93 0.11 -0.19 0.22 0.00 0.00 0.00 179.25 180.33 3krx h ASP 212 N 0.00 -0.46 0.00 0.00 3.58 -1.73 -3.36 116.42 114.45 3krx h ASP 212 Ca -0.00 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 3krx h ASP 212 Cb 0.23 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 3krx h ASP 212 CO 0.01 -0.31 -1.58 0.35 -2.88 0.00 0.00 179.24 174.83 3krx n THR 213 N -5.31 0.21 -2.55 2.25 -2.24 -1.13 -4.25 114.28 101.25 3krx n THR 213 Ca -0.10 -0.32 -0.02 0.00 -2.27 0.00 0.00 64.05 61.34 3krx n THR 213 Cb 0.22 -0.04 0.01 0.00 -2.10 0.00 0.00 70.33 68.42 3krx n THR 213 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3krx n GLY 214 N 1.99 0.76 3.87 3.38 0.00 0.28 -4.76 105.19 110.71 3krx n GLY 214 Ca -0.07 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 3krx n GLY 214 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3krx s LYS 215 N -5.01 3.54 -0.09 1.61 2.47 -1.20 -4.87 119.74 116.18 3krx s LYS 215 Ca 0.05 -0.07 -0.26 0.00 -1.56 0.00 0.00 55.97 54.13 3krx s LYS 215 Cb -0.02 -3.21 -0.02 0.00 -1.46 0.00 0.00 37.83 33.12 3krx s LYS 215 CO 0.07 0.74 0.85 -1.64 0.16 0.00 0.00 175.35 175.53 3krx s MET 216 N -0.96 4.41 0.26 4.03 -1.94 -1.26 -1.41 119.30 122.44 3krx s MET 216 Ca 0.16 1.12 0.03 0.00 -1.71 0.00 0.00 55.69 55.28 3krx s MET 216 Cb -0.12 -3.51 -0.04 0.00 2.01 0.00 0.00 34.83 33.17 3krx s MET 216 CO 0.05 -0.15 0.19 0.71 -0.01 0.00 0.00 175.02 175.80 3krx s TYR 217 N 1.49 1.45 -0.18 -0.03 1.51 0.11 -4.54 117.35 117.18 3krx s TYR 217 Ca 0.42 -1.48 0.01 0.00 -1.01 0.00 0.00 57.07 55.01 3krx s TYR 217 Cb -0.18 -0.67 0.02 0.00 -0.11 0.00 0.00 41.96 41.02 3krx s TYR 217 CO 0.18 -0.71 -0.19 0.00 -1.11 0.00 0.00 175.55 173.72 3krx s ALA 218 N -3.81 2.34 0.22 3.71 0.00 0.25 -1.33 121.76 123.14 3krx s ALA 218 Ca 0.39 -1.20 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 3krx s ALA 218 Cb 0.05 -1.18 -0.08 0.00 0.00 0.00 0.00 23.12 21.91 3krx s ALA 218 CO 0.19 -0.31 0.61 1.41 0.00 0.00 0.00 175.76 177.66 3krx s MET 219 N 1.23 3.95 -0.35 0.00 1.75 -0.95 -0.39 119.30 124.53 3krx s MET 219 Ca 0.03 0.49 0.00 0.00 -1.25 0.00 0.00 55.69 54.97 3krx s MET 219 Cb -0.13 -2.71 0.11 0.00 2.84 0.00 0.00 34.83 34.94 3krx s MET 219 CO -0.11 0.34 0.14 0.21 -0.65 0.00 0.00 175.02 174.95 3krx s LYS 220 N -2.50 0.88 -0.43 4.11 2.20 -0.41 0.26 119.74 123.85 3krx s LYS 220 Ca 0.45 -1.37 -0.17 0.00 -0.36 0.00 0.00 55.97 54.53 3krx s LYS 220 Cb -0.13 -2.07 0.03 0.00 -1.51 0.00 0.00 37.83 34.15 3krx s LYS 220 CO 0.20 -1.05 0.41 0.00 -0.36 0.00 0.00 175.35 174.55 3krx s LEU 222 N 1.99 4.14 -0.01 0.00 1.02 -1.08 -2.78 118.68 121.96 3krx s LEU 222 Ca 0.09 0.50 -0.30 0.00 0.02 0.00 0.00 54.13 54.44 3krx s LEU 222 Cb -0.19 -2.52 -0.04 0.00 0.02 0.00 0.00 46.19 43.47 3krx s LEU 222 CO 0.12 -0.10 1.11 -0.62 0.02 0.00 0.00 176.35 176.88 3krx s ASP 223 N 1.12 7.17 0.37 2.29 2.15 0.53 -0.75 116.67 129.55 3krx s ASP 223 Ca 0.19 1.79 0.13 0.00 0.43 0.00 0.00 52.55 55.10 3krx s ASP 223 Cb -0.15 -2.57 0.72 0.00 -0.30 0.00 0.00 42.92 40.63 3krx s ASP 223 CO 0.08 -0.44 1.82 0.11 -0.17 0.00 0.00 175.17 176.56 3krx h LYS 224 N 7.03 0.00 0.00 4.34 1.57 -1.70 -1.94 116.57 125.87 3krx h LYS 224 Ca -0.38 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.30 3krx h LYS 224 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 3krx h LYS 224 CO 0.82 0.38 -0.50 0.87 -0.57 0.00 0.00 179.45 180.45 3krx h LYS 225 N 0.00 0.00 -0.00 3.15 1.57 -1.92 -2.97 116.57 116.39 3krx h LYS 225 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.52 3krx h LYS 225 Cb 0.69 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.02 3krx h LYS 225 CO 0.05 0.50 -0.98 0.00 -0.57 0.00 0.00 179.45 178.45 3krx h ARG 226 N 0.00 0.67 -0.28 3.15 3.08 -1.74 -3.23 114.38 116.03 3krx h ARG 226 Ca -0.01 -0.72 -0.09 0.00 0.07 0.00 0.00 59.98 59.24 3krx h ARG 226 Cb 0.99 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 3krx h ARG 226 CO 0.07 1.30 -0.20 0.82 -1.07 0.00 0.00 179.97 180.89 3krx h ILE 227 N 0.33 1.25 0.00 2.04 2.04 -1.35 -2.31 117.51 119.52 3krx h ILE 227 Ca -0.12 -1.18 -0.11 0.00 1.00 0.00 0.00 64.86 64.45 3krx h ILE 227 Cb 1.64 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.97 3krx h ILE 227 CO 0.19 0.38 -0.52 0.50 0.00 0.00 0.00 178.15 178.70 3krx h LYS 228 N 0.46 0.00 0.00 2.37 3.64 -1.65 -1.99 116.57 119.40 3krx h LYS 228 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3krx h LYS 228 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3krx h LYS 228 CO 0.04 0.52 0.00 1.98 -2.27 0.00 0.00 179.45 179.73 3krx h MET 229 N 0.00 0.00 -0.03 1.90 4.05 -1.43 -3.26 114.93 116.15 3krx h MET 229 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3krx h MET 229 Cb 0.94 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.74 3krx h MET 229 CO 0.07 0.00 0.00 1.63 0.23 0.00 0.00 176.91 178.84 3krx n LYS 230 N -2.38 0.96 -3.98 0.39 4.76 -1.05 -5.01 118.16 111.84 3krx n LYS 230 Ca 0.04 -1.07 -0.31 0.00 -2.87 0.00 0.00 58.31 54.10 3krx n LYS 230 Cb 0.37 -1.05 0.01 0.00 -1.84 0.00 0.00 35.03 32.52 3krx n LYS 230 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3krx n GLN 231 N -0.07 -4.67 -1.62 1.97 6.02 -0.92 -4.87 117.38 113.22 3krx n GLN 231 Ca 0.02 0.52 -0.30 0.00 -0.01 0.00 0.00 57.00 57.23 3krx n GLN 231 Cb 0.16 -5.28 -0.04 0.00 1.02 0.00 0.00 30.24 26.09 3krx n GLN 231 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3krx n GLY 232 N -1.63 4.58 0.06 1.08 0.00 -0.80 -4.62 105.19 103.87 3krx n GLY 232 Ca -0.01 -1.95 -0.04 0.00 0.00 0.00 0.00 46.02 44.03 3krx n GLY 232 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3krx h GLU 233 N 3.34 0.00 0.00 1.61 5.08 -1.90 -2.98 114.58 119.73 3krx h GLU 233 Ca 0.46 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.73 3krx h GLU 233 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3krx h GLU 233 CO 1.02 0.11 -0.45 1.15 -1.00 0.00 0.00 179.01 179.84 3krx h THR 234 N -1.00 1.06 -0.13 1.13 2.02 -1.98 -2.71 112.91 111.30 3krx h THR 234 Ca -0.02 -1.71 -0.03 0.00 0.77 0.00 0.00 66.41 65.42 3krx h THR 234 Cb 0.33 2.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3krx h THR 234 CO -0.01 0.44 -0.04 0.25 0.37 0.00 0.00 175.52 176.53 3krx h LEU 235 N 0.00 0.26 -0.27 2.58 5.85 -1.87 -1.00 115.31 120.86 3krx h LEU 235 Ca -0.00 -0.38 -0.20 0.00 0.84 0.00 0.00 57.88 58.13 3krx h LEU 235 Cb 0.96 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3krx h LEU 235 CO 0.06 0.59 -0.63 0.00 -0.34 0.00 0.00 178.44 178.12 3krx h ALA 236 N 0.68 0.43 0.00 1.25 0.00 -1.56 -2.73 119.26 117.33 3krx h ALA 236 Ca 0.03 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 3krx h ALA 236 Cb 0.48 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3krx h ALA 236 CO 0.02 0.68 -0.16 1.25 0.00 0.00 0.00 179.25 181.04 3krx h LEU 237 N 0.61 0.00 0.03 0.00 5.85 -1.54 -3.08 115.31 117.18 3krx h LEU 237 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3krx h LEU 237 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3krx h LEU 237 CO 0.13 0.16 -0.01 -1.13 -0.34 0.00 0.00 178.44 177.25 3krx h ASN 238 N 0.00 -0.03 -0.72 1.25 -1.24 -1.01 -3.19 115.58 110.64 3krx h ASN 238 Ca -0.00 -0.52 0.16 0.00 0.71 0.00 0.00 56.30 56.65 3krx h ASN 238 Cb 0.57 0.01 -0.11 0.00 0.73 0.00 0.00 38.32 39.52 3krx h ASN 238 CO 0.02 0.51 0.11 -0.08 -1.29 0.00 0.00 177.43 176.71 3krx h GLU 239 N -0.58 0.20 -0.89 6.67 4.81 -1.40 0.56 114.58 123.95 3krx h GLU 239 Ca -0.00 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3krx h GLU 239 Cb 0.54 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.82 3krx h GLU 239 CO 0.01 0.13 0.56 -0.09 -0.73 0.00 0.00 179.01 178.89 3krx h ARG 240 N 0.20 1.01 -0.37 1.92 1.12 -1.62 0.34 114.38 116.99 3krx h ARG 240 Ca 0.40 -0.06 -0.08 0.00 -1.11 0.00 0.00 59.98 59.13 3krx h ARG 240 Cb 0.69 -0.23 -0.01 0.00 -0.01 0.00 0.00 29.97 30.42 3krx h ARG 240 CO -0.55 0.67 -0.10 0.82 -3.11 0.00 0.00 179.97 177.70 3krx h ILE 241 N 1.04 1.28 -0.05 1.20 1.08 -1.10 -2.61 117.51 118.35 3krx h ILE 241 Ca 0.38 -1.18 -0.01 0.00 -0.39 0.00 0.00 64.86 63.65 3krx h ILE 241 Cb 0.13 1.28 -0.00 0.00 -3.07 0.00 0.00 36.82 35.16 3krx h ILE 241 CO -0.16 0.39 -0.02 0.24 -0.69 0.00 0.00 178.15 177.92 3krx h MET 242 N 0.52 0.09 -0.84 2.37 2.86 -0.07 -1.57 114.93 118.29 3krx h MET 242 Ca 0.09 -0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.83 3krx h MET 242 Cb 0.62 -0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.19 3krx h MET 242 CO 0.04 0.46 0.44 -0.07 1.06 0.00 0.00 176.91 178.84 3krx h LEU 243 N -0.28 0.56 -0.70 1.22 3.38 -0.45 -2.07 115.31 116.97 3krx h LEU 243 Ca 0.01 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3krx h LEU 243 Cb 0.43 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3krx h LEU 243 CO 0.01 0.26 0.27 -1.28 0.09 0.00 0.00 178.44 177.78 3krx h SER 244 N 0.66 0.98 0.65 -0.43 0.87 -1.23 -2.13 113.55 112.92 3krx h SER 244 Ca 0.45 -0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.74 3krx h SER 244 Cb 0.58 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3krx h SER 244 CO -0.33 0.90 -0.41 -0.07 -0.53 0.00 0.00 176.83 176.38 3krx h LEU 245 N 1.01 0.00 0.00 2.23 3.38 -0.61 -3.21 115.31 118.10 3krx h LEU 245 Ca 0.23 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 3krx h LEU 245 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3krx h LEU 245 CO -0.02 0.41 -1.51 0.52 0.09 0.00 0.00 178.44 177.93 3krx n VAL 246 N -3.73 0.67 0.52 1.22 0.31 -0.94 -4.46 118.33 111.92 3krx n VAL 246 Ca -0.01 -0.60 0.12 0.00 -0.01 0.00 0.00 64.34 63.84 3krx n VAL 246 Cb 0.49 -0.36 0.45 0.00 -0.91 0.00 0.00 33.84 33.51 3krx n VAL 246 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3krx n SER 247 N -2.62 0.70 -4.83 4.52 7.64 -0.81 -4.76 113.62 113.45 3krx n SER 247 Ca -0.07 0.62 -0.32 0.00 1.01 0.00 0.00 58.87 60.11 3krx n SER 247 Cb 0.69 -0.79 -0.05 0.00 -1.01 0.00 0.00 64.21 63.05 3krx n SER 247 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3krx s THR 248 N -3.21 4.49 0.00 0.44 -4.23 -1.26 -4.40 115.64 107.48 3krx s THR 248 Ca 0.07 1.30 0.00 0.00 -1.18 0.00 0.00 61.69 61.89 3krx s THR 248 Cb 0.11 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.27 3krx s THR 248 CO 0.48 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 3krx n GLY 249 N -1.23 0.46 2.84 3.99 0.00 -1.26 -4.74 105.19 105.25 3krx n GLY 249 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 3krx n GLY 249 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3krx n ASP 250 N 0.00 -7.38 -4.54 1.61 -0.08 -1.26 -5.04 116.55 99.85 3krx n ASP 250 Ca 0.00 0.19 -0.34 0.00 -1.51 0.00 0.00 54.79 53.13 3krx n ASP 250 Cb 0.00 -4.99 -0.12 0.00 2.34 0.00 0.00 41.12 38.35 3krx n ASP 250 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3krx n PRO 252 N 2.59 1.90 -0.02 0.00 -0.04 -1.26 -4.38 135.00 133.80 3krx n PRO 252 Ca -0.18 -1.37 0.01 0.00 -0.04 0.00 0.00 63.50 61.92 3krx n PRO 252 Cb 0.53 -1.39 0.01 0.00 -0.04 0.00 0.00 33.50 32.61 3krx n PRO 252 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3krx n PHE 253 N 0.60 0.00 -4.26 0.54 3.72 -1.26 -4.77 117.46 112.03 3krx n PHE 253 Ca 0.16 -0.47 -0.17 0.00 -0.05 0.00 0.00 57.45 56.92 3krx n PHE 253 Cb 0.37 -0.05 -0.15 0.00 -0.94 0.00 0.00 39.48 38.71 3krx n PHE 253 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3krx s ILE 254 N -1.02 0.56 -0.30 4.37 1.01 -1.26 -0.89 121.20 123.67 3krx s ILE 254 Ca 0.03 -0.29 -0.29 0.00 0.00 0.00 0.00 60.65 60.10 3krx s ILE 254 Cb 0.03 -0.48 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 3krx s ILE 254 CO 0.00 0.16 1.64 -0.69 0.00 0.00 0.00 174.94 176.06 3krx s VAL 255 N -0.10 3.66 0.20 2.92 1.01 0.16 -4.85 120.40 123.39 3krx s VAL 255 Ca 0.02 0.70 0.05 0.00 0.00 0.00 0.00 61.98 62.75 3krx s VAL 255 Cb -0.03 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3krx s VAL 255 CO -0.00 -0.42 0.22 0.00 0.00 0.00 0.00 175.10 174.90 3krx s MET 257 N -3.51 3.44 -0.13 0.00 0.00 -1.26 -1.37 119.30 116.46 3krx s MET 257 Ca 0.33 -0.19 0.04 0.00 0.00 0.00 0.00 55.69 55.86 3krx s MET 257 Cb -0.09 -3.16 -0.11 0.00 0.00 0.00 0.00 34.83 31.47 3krx s MET 257 CO 0.26 0.74 -0.08 0.43 0.00 0.00 0.00 175.02 176.37 3krx n SER 258 N 1.64 2.71 -4.10 1.11 7.64 -0.42 -4.83 113.62 117.38 3krx n SER 258 Ca -0.17 -0.06 -0.09 0.00 1.01 0.00 0.00 58.87 59.57 3krx n SER 258 Cb 0.54 0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.70 3krx n SER 258 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3krx s TYR 259 N -2.28 0.66 -0.07 1.43 2.02 -1.24 -1.87 117.35 115.99 3krx s TYR 259 Ca -0.15 -1.10 -0.06 0.00 -0.37 0.00 0.00 57.07 55.39 3krx s TYR 259 Cb 0.04 -0.39 0.02 0.00 -0.40 0.00 0.00 41.96 41.24 3krx s TYR 259 CO 0.37 -0.49 0.19 0.00 -1.57 0.00 0.00 175.55 174.05 3krx s ALA 260 N -3.99 -0.45 0.30 3.71 0.00 -0.03 -2.27 121.76 119.03 3krx s ALA 260 Ca 0.16 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.57 3krx s ALA 260 Cb 0.07 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.84 3krx s ALA 260 CO -0.03 -0.11 0.67 -0.59 0.00 0.00 0.00 175.76 175.69 3krx s PHE 261 N 0.40 0.08 -0.00 0.00 -0.12 -0.41 -1.12 117.98 116.80 3krx s PHE 261 Ca -0.02 -0.55 -0.04 0.00 -0.05 0.00 0.00 56.93 56.27 3krx s PHE 261 Cb -0.04 0.58 -0.00 0.00 -0.63 0.00 0.00 43.02 42.93 3krx s PHE 261 CO -0.02 -1.26 0.07 -3.38 -0.05 0.00 0.00 175.22 170.58 3krx s HIS 262 N -3.52 0.08 0.42 3.49 -3.43 -1.26 -0.65 115.29 110.41 3krx s HIS 262 Ca 0.16 -0.18 0.08 0.00 -0.80 0.00 0.00 55.06 54.32 3krx s HIS 262 Cb -0.04 -0.08 -0.03 0.00 -1.43 0.00 0.00 32.58 31.00 3krx s HIS 262 CO 0.09 -0.19 0.34 0.95 -2.00 0.00 0.00 174.74 173.93 3krx s THR 263 N -1.05 2.60 0.56 -5.38 -4.23 0.12 -4.99 115.64 103.27 3krx s THR 263 Ca -0.11 -1.41 0.34 0.00 -1.18 0.00 0.00 61.69 59.33 3krx s THR 263 Cb -0.07 -3.00 0.50 0.00 1.34 0.00 0.00 72.50 71.27 3krx s THR 263 CO 0.00 -0.00 1.78 -0.65 -0.54 0.00 0.00 174.62 175.22 3krx h PRO 264 N 1.10 0.00 0.00 3.99 0.11 -2.03 -2.61 132.00 132.56 3krx h PRO 264 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3krx h PRO 264 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3krx h PRO 264 CO 0.60 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 3krx n ASP 265 N -4.00 1.26 -3.75 -2.05 3.85 -1.26 -5.02 116.55 105.58 3krx n ASP 265 Ca 0.21 -1.58 -0.13 0.00 -0.71 0.00 0.00 54.79 52.58 3krx n ASP 265 Cb 1.14 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.82 3krx n ASP 265 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3krx s LYS 266 N -0.58 0.55 0.52 0.11 1.02 -0.98 -1.92 119.74 118.45 3krx s LYS 266 Ca 0.00 0.14 -0.00 0.00 0.02 0.00 0.00 55.97 56.13 3krx s LYS 266 Cb 0.00 0.25 0.02 0.00 -0.52 0.00 0.00 37.83 37.58 3krx s LYS 266 CO 0.00 -0.12 0.75 -0.51 -0.92 0.00 0.00 175.35 174.55 3krx s LEU 267 N -0.61 3.40 -0.28 3.17 1.43 0.07 0.10 118.68 125.97 3krx s LEU 267 Ca -0.07 0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 53.04 3krx s LEU 267 Cb -0.04 -3.05 0.09 0.00 0.03 0.00 0.00 46.19 43.22 3krx s LEU 267 CO 0.03 -0.97 0.77 -0.55 0.23 0.00 0.00 176.35 175.85 3krx s SER 268 N -4.33 -0.81 0.07 2.29 0.15 0.17 -2.63 113.70 108.61 3krx s SER 268 Ca 0.53 1.34 0.10 0.00 0.70 0.00 0.00 55.95 58.62 3krx s SER 268 Cb -0.10 1.34 -0.03 0.00 -1.71 0.00 0.00 66.02 65.51 3krx s SER 268 CO 0.39 -0.21 -0.26 -0.36 1.20 0.00 0.00 173.24 174.00 3krx s PHE 269 N 1.34 2.34 -0.36 3.44 0.08 -0.94 -1.28 117.98 122.61 3krx s PHE 269 Ca -0.08 -0.39 -0.03 0.00 0.12 0.00 0.00 56.93 56.55 3krx s PHE 269 Cb -0.05 -1.36 0.08 0.00 -0.57 0.00 0.00 43.02 41.12 3krx s PHE 269 CO -0.15 0.19 0.11 0.42 -0.10 0.00 0.00 175.22 175.69 3krx s ILE 270 N -0.88 3.26 0.37 0.64 -1.09 -0.96 -1.29 121.20 121.24 3krx s ILE 270 Ca 0.13 -1.65 0.08 0.00 -2.23 0.00 0.00 60.65 56.97 3krx s ILE 270 Cb -0.10 -3.04 -0.05 0.00 -1.58 0.00 0.00 42.46 37.69 3krx s ILE 270 CO 0.03 -0.39 0.13 -0.76 -1.23 0.00 0.00 174.94 172.73 3krx s LEU 271 N 1.23 3.15 0.34 2.97 1.43 0.47 -1.30 118.68 126.97 3krx s LEU 271 Ca 0.02 -0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 51.89 3krx s LEU 271 Cb -0.21 -1.54 -0.11 0.00 0.03 0.00 0.00 46.19 44.35 3krx s LEU 271 CO -0.02 -0.39 1.53 -1.81 0.23 0.00 0.00 176.35 175.89 3krx s ASP 272 N -3.85 6.37 0.26 2.29 1.01 -0.47 -0.59 116.67 121.69 3krx s ASP 272 Ca 0.39 3.00 -0.24 0.00 0.71 0.00 0.00 52.55 56.40 3krx s ASP 272 Cb 0.00 -2.65 -0.09 0.00 1.01 0.00 0.00 42.92 41.19 3krx s ASP 272 CO 0.22 -0.88 0.84 -0.22 0.21 0.00 0.00 175.17 175.34 3krx s LEU 273 N -1.40 4.40 -0.20 1.23 2.96 -1.26 -4.50 118.68 119.90 3krx s LEU 273 Ca 0.57 1.67 -0.04 0.00 -0.22 0.00 0.00 54.13 56.11 3krx s LEU 273 Cb -0.47 -3.74 0.09 0.00 0.50 0.00 0.00 46.19 42.57 3krx s LEU 273 CO 0.56 0.02 0.23 -0.04 -1.32 0.00 0.00 176.35 175.80 3krx s MET 274 N -1.84 0.19 -0.15 1.98 -1.94 -1.26 -4.94 119.30 111.33 3krx s MET 274 Ca 0.45 0.26 0.17 0.00 -1.71 0.00 0.00 55.69 54.86 3krx s MET 274 Cb -0.19 -1.09 0.75 0.00 2.01 0.00 0.00 34.83 36.31 3krx s MET 274 CO 0.24 -0.62 1.66 0.09 -0.01 0.00 0.00 175.02 176.37 3krx n ASN 275 N 5.32 5.01 -0.74 3.03 3.02 -1.24 -4.47 115.26 125.19 3krx n ASN 275 Ca -0.05 -2.57 0.08 0.00 -0.03 0.00 0.00 54.58 52.01 3krx n ASN 275 Cb 0.50 -0.61 0.11 0.00 -0.61 0.00 0.00 39.78 39.16 3krx n ASN 275 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3krx n GLY 276 N 1.01 0.79 0.46 7.41 0.00 0.94 -4.82 105.19 110.98 3krx n GLY 276 Ca 0.26 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.84 3krx n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krx n GLY 277 N 0.97 -2.33 3.89 -0.02 0.00 -1.25 -4.51 105.19 101.94 3krx n GLY 277 Ca 0.12 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 3krx n GLY 277 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3krx s ASP 278 N -5.56 6.33 0.39 1.61 3.84 -1.26 -1.80 116.67 120.23 3krx s ASP 278 Ca 0.00 1.08 0.28 0.00 -0.00 0.00 0.00 52.55 53.91 3krx s ASP 278 Cb 0.00 -2.31 1.11 0.00 -1.38 0.00 0.00 42.92 40.34 3krx s ASP 278 CO 0.00 -0.58 1.83 0.25 -0.00 0.00 0.00 175.17 176.66 3krx h LEU 279 N 0.41 0.00 -0.19 2.11 5.85 -0.50 -2.53 115.31 120.47 3krx h LEU 279 Ca -0.46 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.03 3krx h LEU 279 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3krx h LEU 279 CO 0.62 0.00 -0.92 -0.74 -0.34 0.00 0.00 178.44 177.06 3krx h HIS 280 N 0.00 0.64 -0.20 1.25 2.76 -1.82 -2.05 115.15 115.73 3krx h HIS 280 Ca 0.00 -0.34 -0.05 0.00 -2.20 0.00 0.00 60.37 57.79 3krx h HIS 280 Cb 0.47 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 3krx h HIS 280 CO 0.00 1.15 -0.05 -0.92 -1.30 0.00 0.00 177.93 176.81 3krx h TYR 281 N 0.25 0.43 0.00 5.26 3.20 -1.82 -2.98 116.97 121.32 3krx h TYR 281 Ca -0.08 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.64 3krx h TYR 281 Cb 1.55 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 3krx h TYR 281 CO 0.06 0.64 -0.29 0.45 -1.64 0.00 0.00 178.16 177.38 3krx h HIS 282 N 0.10 0.00 -0.10 -3.82 3.86 -1.57 -1.75 115.15 111.87 3krx h HIS 282 Ca 0.05 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 3krx h HIS 282 Cb 0.51 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 3krx h HIS 282 CO 0.05 0.29 -0.18 1.25 0.86 0.00 0.00 177.93 180.20 3krx h LEU 283 N 0.00 0.15 -0.52 2.43 5.85 -1.33 0.26 115.31 122.15 3krx h LEU 283 Ca -0.00 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 3krx h LEU 283 Cb 0.52 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3krx h LEU 283 CO 0.04 0.35 -0.09 0.28 -0.34 0.00 0.00 178.44 178.68 3krx h SER 284 N 0.15 0.98 0.78 1.25 0.02 -1.17 -1.50 113.55 114.07 3krx h SER 284 Ca 0.03 -0.35 -0.21 0.00 -0.84 0.00 0.00 61.79 60.42 3krx h SER 284 Cb 0.42 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 3krx h SER 284 CO 0.03 1.10 -1.33 1.56 -1.14 0.00 0.00 176.83 177.04 3krx h GLN 285 N 0.85 0.00 0.00 3.45 1.08 -1.18 -3.37 115.11 115.94 3krx h GLN 285 Ca 0.14 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 3krx h GLN 285 Cb 0.65 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.07 3krx h GLN 285 CO 0.04 0.52 -1.94 1.58 -0.95 0.00 0.00 178.83 178.08 3krx n HIS 286 N -3.07 0.07 -4.27 2.96 -0.00 0.89 -5.10 115.22 106.70 3krx n HIS 286 Ca -0.09 0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.11 3krx n HIS 286 Cb 0.92 -0.55 0.00 0.00 -0.12 0.00 0.00 29.99 30.24 3krx n HIS 286 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3krx n GLY 287 N 1.27 -0.78 3.77 1.57 0.00 -0.56 -4.86 105.19 105.59 3krx n GLY 287 Ca -0.05 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 3krx n GLY 287 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3krx s VAL 288 N 0.00 3.08 0.25 1.61 -7.23 -1.26 -4.71 120.40 112.13 3krx s VAL 288 Ca 0.00 0.69 0.03 0.00 -1.81 0.00 0.00 61.98 60.89 3krx s VAL 288 Cb 0.00 -3.28 -0.03 0.00 0.56 0.00 0.00 36.38 33.62 3krx s VAL 288 CO 0.00 -0.13 0.39 -0.36 -0.31 0.00 0.00 175.10 174.69 3krx s PHE 289 N -1.72 3.47 0.75 2.82 0.08 -0.48 -5.03 117.98 117.87 3krx s PHE 289 Ca 0.73 0.11 -0.11 0.00 0.12 0.00 0.00 56.93 57.78 3krx s PHE 289 Cb -0.25 -1.68 0.06 0.00 -0.57 0.00 0.00 43.02 40.58 3krx s PHE 289 CO 0.29 0.38 1.12 -1.54 -0.10 0.00 0.00 175.22 175.36 3krx s SER 290 N -3.81 4.85 0.15 1.36 1.04 -1.26 -4.56 113.70 111.46 3krx s SER 290 Ca 0.36 0.81 -0.17 0.00 0.48 0.00 0.00 55.95 57.43 3krx s SER 290 Cb -0.10 -1.43 -0.00 0.00 0.10 0.00 0.00 66.02 64.59 3krx s SER 290 CO 0.30 -1.67 1.80 -0.33 0.98 0.00 0.00 173.24 174.32 3krx h GLU 291 N -0.83 0.49 -0.89 4.02 5.08 -1.98 0.71 114.58 121.17 3krx h GLU 291 Ca -0.45 -0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.07 3krx h GLU 291 Cb 1.30 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.38 3krx h GLU 291 CO 0.64 0.33 0.59 0.00 -1.00 0.00 0.00 179.01 179.57 3krx h ALA 292 N 1.12 2.20 0.09 3.43 0.00 -2.01 -0.61 119.26 123.49 3krx h ALA 292 Ca 0.13 0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.75 3krx h ALA 292 Cb -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3krx h ALA 292 CO -0.03 -0.48 -1.60 -0.44 0.00 0.00 0.00 179.25 176.71 3krx h ASP 293 N 0.41 0.31 -0.46 0.00 3.32 -1.80 -3.35 116.42 114.84 3krx h ASP 293 Ca 0.46 -0.48 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 3krx h ASP 293 Cb 1.14 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 3krx h ASP 293 CO -0.17 1.41 -0.03 -0.03 -1.72 0.00 0.00 179.24 178.69 3krx h MET 294 N 0.05 0.90 -0.43 3.56 4.05 -0.12 -3.00 114.93 119.93 3krx h MET 294 Ca -0.26 -0.28 0.09 0.00 -0.28 0.00 0.00 59.70 58.97 3krx h MET 294 Cb 2.01 -0.09 -0.09 0.00 -0.80 0.00 0.00 31.60 32.63 3krx h MET 294 CO 0.14 0.91 -0.22 -0.09 0.23 0.00 0.00 176.91 177.88 3krx h ARG 295 N 0.82 -0.13 -0.14 0.39 2.43 -1.28 0.61 114.38 117.08 3krx h ARG 295 Ca 0.15 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 3krx h ARG 295 Cb 0.54 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 3krx h ARG 295 CO 0.03 -0.09 -0.30 0.35 -1.51 0.00 0.00 179.97 178.46 3krx h PHE 296 N -0.13 -0.81 -0.00 2.20 3.57 -1.65 0.60 116.94 120.71 3krx h PHE 296 Ca 0.21 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3krx h PHE 296 Cb 0.46 0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 3krx h PHE 296 CO -0.47 -0.38 0.00 1.88 -2.23 0.00 0.00 178.31 177.12 3krx h TYR 297 N -0.36 0.00 -0.71 0.41 0.05 -1.46 -2.83 116.97 112.06 3krx h TYR 297 Ca 0.10 -0.00 0.15 0.00 0.05 0.00 0.00 58.73 59.03 3krx h TYR 297 Cb 0.52 -0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.16 3krx h TYR 297 CO -0.39 0.08 0.19 0.00 -1.05 0.00 0.00 178.16 176.99 3krx h ALA 298 N 0.92 0.93 0.61 3.88 0.00 -0.47 0.07 119.26 125.20 3krx h ALA 298 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3krx h ALA 298 Cb 0.08 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3krx h ALA 298 CO -0.00 -0.31 -0.41 0.00 0.00 0.00 0.00 179.25 178.54 3krx h ALA 299 N 1.57 -1.01 -0.35 0.00 0.00 -0.71 0.20 119.26 118.97 3krx h ALA 299 Ca 0.40 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3krx h ALA 299 Cb 0.65 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3krx h ALA 299 CO -0.47 -1.09 0.06 0.93 0.00 0.00 0.00 179.25 178.69 3krx h GLU 300 N -0.97 0.52 -0.41 0.00 5.08 -1.25 -1.50 114.58 116.04 3krx h GLU 300 Ca -0.07 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 3krx h GLU 300 Cb 0.80 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3krx h GLU 300 CO 0.06 0.50 -0.15 0.82 -1.00 0.00 0.00 179.01 179.24 3krx h ILE 301 N 0.51 1.28 0.39 3.13 2.04 -0.84 -2.45 117.51 121.57 3krx h ILE 301 Ca 0.12 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 3krx h ILE 301 Cb 0.23 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3krx h ILE 301 CO -0.00 0.43 -0.22 0.40 0.00 0.00 0.00 178.15 178.76 3krx h ILE 302 N 0.64 0.55 -0.41 -0.67 2.04 0.06 -1.00 117.51 118.73 3krx h ILE 302 Ca 0.10 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.01 3krx h ILE 302 Cb 0.69 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3krx h ILE 302 CO 0.05 0.00 0.27 -0.07 0.00 0.00 0.00 178.15 178.40 3krx h LEU 303 N -0.57 0.30 -0.31 1.44 3.38 -1.34 0.30 115.31 118.50 3krx h LEU 303 Ca -0.05 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3krx h LEU 303 Cb 0.46 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3krx h LEU 303 CO 0.06 0.20 0.10 1.23 0.09 0.00 0.00 178.44 180.12 3krx h GLY 304 N 0.34 0.52 1.00 0.83 0.00 -1.09 -2.70 103.07 101.97 3krx h GLY 304 Ca 0.17 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3krx h GLY 304 CO -0.04 0.29 0.26 1.41 0.00 0.00 0.00 176.54 178.45 3krx h LEU 305 N 0.35 0.84 -0.67 3.11 3.38 0.09 -2.80 115.31 119.60 3krx h LEU 305 Ca 0.10 -0.16 0.14 0.00 0.09 0.00 0.00 57.88 58.05 3krx h LEU 305 Cb 0.24 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 40.68 3krx h LEU 305 CO -0.00 0.77 0.14 -0.08 0.09 0.00 0.00 178.44 179.36 3krx h GLU 306 N 0.86 0.25 -0.75 1.13 4.81 -0.94 -0.35 114.58 119.58 3krx h GLU 306 Ca 0.21 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.48 3krx h GLU 306 Cb 0.19 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 3krx h GLU 306 CO -0.02 0.16 0.45 1.25 -0.73 0.00 0.00 179.01 180.12 3krx h HIS 307 N 0.26 0.83 -0.21 0.92 2.76 -1.23 -1.66 115.15 116.83 3krx h HIS 307 Ca 0.37 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.42 3krx h HIS 307 Cb 0.59 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.28 3krx h HIS 307 CO -0.27 0.41 -0.48 0.52 -1.30 0.00 0.00 177.93 176.82 3krx h MET 308 N 0.83 0.55 0.13 5.26 2.86 -0.95 -3.10 114.93 120.50 3krx h MET 308 Ca 0.33 -0.31 -0.30 0.00 -2.06 0.00 0.00 59.70 57.36 3krx h MET 308 Cb 0.17 0.02 0.03 0.00 0.06 0.00 0.00 31.60 31.88 3krx h MET 308 CO -0.17 0.91 -1.25 0.45 1.06 0.00 0.00 176.91 177.90 3krx h HIS 309 N 0.43 1.01 0.00 -0.22 3.86 -0.83 0.11 115.15 119.51 3krx h HIS 309 Ca 0.02 -0.64 -0.01 0.00 -1.16 0.00 0.00 60.37 58.58 3krx h HIS 309 Cb 1.00 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.40 3krx h HIS 309 CO 0.04 1.48 -0.04 -0.91 0.86 0.00 0.00 177.93 179.36 3krx h ASN 310 N 0.25 0.00 -0.39 2.45 -0.26 -1.39 0.14 115.58 116.38 3krx h ASN 310 Ca -0.19 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.54 3krx h ASN 310 Cb 1.93 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 39.18 3krx h ASN 310 CO 0.24 0.04 0.01 0.54 -1.06 0.00 0.00 177.43 177.20 3krx n ARG 311 N -4.14 3.52 -3.79 0.81 1.74 -1.16 -4.94 116.66 108.70 3krx n ARG 311 Ca -0.03 -2.07 -0.26 0.00 -0.77 0.00 0.00 57.85 54.72 3krx n ARG 311 Cb 0.12 -2.00 0.04 0.00 -1.02 0.00 0.00 32.46 29.60 3krx n ARG 311 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3krx n PHE 312 N 0.38 -2.28 -4.72 -1.55 3.01 0.49 -4.97 117.46 107.83 3krx n PHE 312 Ca 0.19 0.91 -0.28 0.00 1.01 0.00 0.00 57.45 59.28 3krx n PHE 312 Cb 0.89 -4.30 -0.17 0.00 -0.01 0.00 0.00 39.48 35.89 3krx n PHE 312 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3krx s VAL 313 N -3.41 1.48 -0.16 -4.37 1.01 0.38 -2.17 120.40 113.17 3krx s VAL 313 Ca 0.44 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 3krx s VAL 313 Cb -0.22 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 3krx s VAL 313 CO 0.81 0.43 0.04 0.54 0.00 0.00 0.00 175.10 176.92 3krx s VAL 314 N 0.67 4.61 -0.10 2.92 0.11 0.45 -3.73 120.40 125.32 3krx s VAL 314 Ca -0.14 -0.11 -0.24 0.00 -2.93 0.00 0.00 61.98 58.57 3krx s VAL 314 Cb -0.16 -3.04 -0.28 0.00 -1.53 0.00 0.00 36.38 31.37 3krx s VAL 314 CO 0.04 0.50 0.75 0.22 -3.33 0.00 0.00 175.10 173.28 3krx h TYR 315 N 6.37 0.27 0.00 1.54 3.20 -1.90 0.25 116.97 126.70 3krx h TYR 315 Ca -0.39 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.28 3krx h TYR 315 Cb 1.18 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.44 3krx h TYR 315 CO 0.58 1.23 0.00 0.54 -1.64 0.00 0.00 178.16 178.86 3krx n ARG 316 N -4.32 0.00 -3.03 1.82 1.74 -1.26 -3.07 116.66 108.53 3krx n ARG 316 Ca -0.15 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.76 3krx n ARG 316 Cb 0.68 -3.45 -0.02 0.00 -1.02 0.00 0.00 32.46 28.65 3krx n ARG 316 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3krx n ASP 317 N 0.00 -0.78 -4.55 0.55 2.03 -1.26 -3.93 116.55 108.61 3krx n ASP 317 Ca 0.00 -3.00 -0.43 0.00 0.52 0.00 0.00 54.79 51.88 3krx n ASP 317 Cb 0.00 0.26 -0.05 0.00 -0.72 0.00 0.00 41.12 40.61 3krx n ASP 317 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3krx s LEU 318 N -1.35 4.18 0.11 -2.67 2.96 -1.26 -4.89 118.68 115.75 3krx s LEU 318 Ca 0.34 0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 54.21 3krx s LEU 318 Cb 0.23 -3.02 -0.02 0.00 0.50 0.00 0.00 46.19 43.87 3krx s LEU 318 CO -0.14 -0.92 0.12 -1.59 -1.32 0.00 0.00 176.35 172.50 3krx s LYS 319 N 3.37 0.89 0.34 1.98 -2.85 -1.26 -4.73 119.74 117.48 3krx s LYS 319 Ca 0.32 -1.22 0.06 0.00 -1.00 0.00 0.00 55.97 54.13 3krx s LYS 319 Cb -0.12 0.29 0.61 0.00 -2.06 0.00 0.00 37.83 36.56 3krx s LYS 319 CO 0.23 -0.27 1.85 -1.00 0.10 0.00 0.00 175.35 176.25 3krx h PRO 320 N 2.83 0.40 -0.10 1.78 0.13 -1.94 -1.07 132.00 134.03 3krx h PRO 320 Ca -0.34 -0.11 0.03 0.00 -0.87 0.00 0.00 66.00 64.72 3krx h PRO 320 Cb 1.19 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3krx h PRO 320 CO 0.57 0.53 0.15 0.00 -0.23 0.00 0.00 178.00 179.02 3krx h ALA 321 N 1.50 1.56 -0.11 -0.56 0.00 -1.93 0.12 119.26 119.84 3krx h ALA 321 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3krx h ALA 321 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3krx h ALA 321 CO 0.03 -0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.16 3krx n ASN 322 N -3.57 1.68 -4.52 0.00 3.02 -0.41 -4.76 115.26 106.70 3krx n ASN 322 Ca -0.00 -1.64 -0.34 0.00 -0.03 0.00 0.00 54.58 52.57 3krx n ASN 322 Cb 0.25 -0.07 -0.12 0.00 -0.61 0.00 0.00 39.78 39.24 3krx n ASN 322 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3krx s ILE 323 N -1.87 4.03 0.29 2.41 1.01 0.40 -1.12 121.20 126.36 3krx s ILE 323 Ca 0.35 -0.31 0.10 0.00 0.00 0.00 0.00 60.65 60.79 3krx s ILE 323 Cb 0.19 -2.78 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 3krx s ILE 323 CO 0.29 0.49 -0.09 -0.76 0.00 0.00 0.00 174.94 174.87 3krx s LEU 324 N 0.38 2.85 -0.03 2.97 1.43 -0.65 -0.29 118.68 125.34 3krx s LEU 324 Ca -0.03 -0.93 0.06 0.00 -1.03 0.00 0.00 54.13 52.20 3krx s LEU 324 Cb -0.14 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 3krx s LEU 324 CO 0.02 -0.05 -0.21 -0.76 0.23 0.00 0.00 176.35 175.59 3krx s LEU 325 N -3.61 2.01 0.85 1.79 1.02 -0.74 -1.96 118.68 118.04 3krx s LEU 325 Ca 0.32 -0.40 -0.11 0.00 0.02 0.00 0.00 54.13 53.95 3krx s LEU 325 Cb -0.04 -1.11 0.14 0.00 0.02 0.00 0.00 46.19 45.20 3krx s LEU 325 CO 0.17 0.22 1.19 1.51 0.02 0.00 0.00 176.35 179.47 3krx s ASP 326 N -0.26 3.85 0.52 2.29 -4.77 -0.68 -0.04 116.67 117.58 3krx s ASP 326 Ca 0.02 0.28 0.34 0.00 -3.30 0.00 0.00 52.55 49.89 3krx s ASP 326 Cb -0.10 -0.56 1.56 0.00 -1.09 0.00 0.00 42.92 42.73 3krx s ASP 326 CO 0.01 -2.25 2.01 1.05 0.70 0.00 0.00 175.17 176.69 3krx h GLU 327 N -1.18 0.00 0.00 2.11 4.11 -1.91 -1.55 114.58 116.16 3krx h GLU 327 Ca -0.43 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.84 3krx h GLU 327 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 3krx h GLU 327 CO 0.47 0.00 -0.87 0.45 0.07 0.00 0.00 179.01 179.13 3krx h HIS 328 N 0.00 0.00 0.00 2.06 3.86 -1.94 -3.42 115.15 115.71 3krx h HIS 328 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3krx h HIS 328 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 3krx h HIS 328 CO 0.00 0.70 0.00 0.41 0.86 0.00 0.00 177.93 179.90 3krx n GLY 329 N 1.31 1.75 3.76 2.45 0.00 -0.58 -4.72 105.19 109.16 3krx n GLY 329 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3krx n GLY 329 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3krx s HIS 330 N -1.29 2.50 0.22 1.61 3.76 -1.26 -4.61 115.29 116.22 3krx s HIS 330 Ca 0.00 1.57 0.08 0.00 -0.15 0.00 0.00 55.06 56.57 3krx s HIS 330 Cb 0.00 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.50 3krx s HIS 330 CO 0.00 -1.87 0.02 0.14 -0.85 0.00 0.00 174.74 172.17 3krx s VAL 331 N -2.59 3.68 0.06 -0.90 -7.23 -1.26 -1.68 120.40 110.47 3krx s VAL 331 Ca 0.65 -1.63 -0.03 0.00 -1.81 0.00 0.00 61.98 59.15 3krx s VAL 331 Cb -0.20 -2.91 -0.03 0.00 0.56 0.00 0.00 36.38 33.80 3krx s VAL 331 CO 0.49 -0.25 0.04 -0.13 -0.31 0.00 0.00 175.10 174.95 3krx s ARG 332 N -3.34 0.67 0.37 4.82 0.52 -0.83 -4.62 118.95 116.54 3krx s ARG 332 Ca 0.30 -1.10 -0.14 0.00 -0.52 0.00 0.00 55.73 54.27 3krx s ARG 332 Cb -0.08 0.25 -0.08 0.00 0.52 0.00 0.00 34.95 35.56 3krx s ARG 332 CO 0.20 -0.16 0.77 0.42 0.02 0.00 0.00 175.30 176.55 3krx s ILE 333 N -3.77 4.70 0.00 1.52 1.01 -0.07 -1.64 121.20 122.95 3krx s ILE 333 Ca 0.05 0.86 0.00 0.00 0.00 0.00 0.00 60.65 61.56 3krx s ILE 333 Cb 0.06 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.87 3krx s ILE 333 CO -0.10 -0.35 0.00 -0.24 0.00 0.00 0.00 174.94 174.25 3krx n SER 334 N -0.82 0.00 -4.58 3.58 2.88 -0.28 0.37 113.62 114.77 3krx n SER 334 Ca 0.03 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.16 3krx n SER 334 Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 3krx n SER 334 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3krx s ASP 335 N -0.18 5.68 -0.44 -3.46 -1.08 -1.26 -4.73 116.67 111.21 3krx s ASP 335 Ca 0.00 0.83 0.04 0.00 -0.52 0.00 0.00 52.55 52.90 3krx s ASP 335 Cb 0.00 -2.53 0.56 0.00 -1.46 0.00 0.00 42.92 39.49 3krx s ASP 335 CO 0.00 -1.96 1.75 0.18 0.52 0.00 0.00 175.17 175.66 3krx n LEU 336 N 11.15 6.01 0.04 -1.34 4.77 -1.26 -4.54 117.00 131.83 3krx n LEU 336 Ca 0.21 -3.91 -0.20 0.00 -0.03 0.00 0.00 56.01 52.08 3krx n LEU 336 Cb 0.49 -0.77 -0.11 0.00 -2.33 0.00 0.00 43.42 40.71 3krx n LEU 336 CO 0.70 1.30 0.10 1.23 -1.33 0.00 0.00 177.39 179.39 3krx h GLY 337 N 1.32 0.70 -0.33 -0.72 0.00 -1.92 -3.34 103.07 98.77 3krx h GLY 337 Ca 0.48 -1.26 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3krx h GLY 337 CO 0.97 1.11 -0.10 1.04 0.00 0.00 0.00 176.54 179.56 3krx n LEU 338 N -3.94 1.44 -4.53 3.11 4.77 -1.26 -4.50 117.00 112.10 3krx n LEU 338 Ca -0.11 -0.46 -0.28 0.00 -0.03 0.00 0.00 56.01 55.13 3krx n LEU 338 Cb 0.85 -0.04 0.24 0.00 -2.33 0.00 0.00 43.42 42.13 3krx n LEU 338 CO 0.54 0.25 0.54 0.00 -1.33 0.00 0.00 177.39 177.39 3krx s ALA 339 N -2.18 -0.18 -0.28 -1.18 0.00 -1.18 -4.67 121.76 112.09 3krx s ALA 339 Ca 0.32 -0.27 -0.20 0.00 0.00 0.00 0.00 51.96 51.82 3krx s ALA 339 Cb 0.20 -3.19 0.08 0.00 0.00 0.00 0.00 23.12 20.22 3krx s ALA 339 CO 0.40 -3.65 0.74 0.00 0.00 0.00 0.00 175.76 173.25 3krx s ASP 341 N 1.12 7.28 -0.07 0.00 2.15 -1.26 -0.41 116.67 125.47 3krx s ASP 341 Ca -0.06 2.06 0.11 0.00 0.43 0.00 0.00 52.55 55.08 3krx s ASP 341 Cb -0.05 -2.60 0.18 0.00 -0.30 0.00 0.00 42.92 40.15 3krx s ASP 341 CO -0.12 -0.21 1.09 2.22 -0.17 0.00 0.00 175.17 177.98 3krx n PHE 342 N 2.48 0.00 0.10 -5.34 1.16 -0.92 -4.74 117.46 110.20 3krx n PHE 342 Ca 0.03 -0.57 -0.05 0.00 -1.87 0.00 0.00 57.45 54.99 3krx n PHE 342 Cb 0.46 -0.11 -0.02 0.00 -1.61 0.00 0.00 39.48 38.20 3krx n PHE 342 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 3krx h SER 343 N 0.12 -0.28 0.49 5.98 4.64 -1.94 -3.38 113.55 119.18 3krx h SER 343 Ca -0.01 0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3krx h SER 343 Cb 1.23 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3krx h SER 343 CO 0.01 0.10 -0.64 0.11 -0.87 0.00 0.00 176.83 175.53 3krx h LYS 344 N -0.94 0.14 -2.11 4.77 1.57 -1.96 -3.45 116.57 114.58 3krx h LYS 344 Ca -0.03 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 3krx h LYS 344 Cb 0.26 0.02 -0.20 0.00 0.08 0.00 0.00 32.23 32.39 3krx h LYS 344 CO 0.06 0.73 0.12 0.21 -0.57 0.00 0.00 179.45 180.00 3krx s LYS 345 N -3.63 0.95 -0.03 3.15 2.20 -1.26 -5.16 119.74 115.96 3krx s LYS 345 Ca -0.03 0.42 -0.21 0.00 -0.36 0.00 0.00 55.97 55.79 3krx s LYS 345 Cb 0.12 0.45 -0.05 0.00 -1.51 0.00 0.00 37.83 36.84 3krx s LYS 345 CO 0.79 -0.25 0.59 0.15 -0.36 0.00 0.00 175.35 176.27 3krx s LYS 346 N -0.76 4.34 0.80 4.03 1.02 -1.26 -4.39 119.74 123.52 3krx s LYS 346 Ca -0.08 0.71 -0.12 0.00 0.02 0.00 0.00 55.97 56.51 3krx s LYS 346 Cb -0.02 -3.37 0.07 0.00 -0.52 0.00 0.00 37.83 33.99 3krx s LYS 346 CO 0.07 0.29 1.10 -1.25 -0.92 0.00 0.00 175.35 174.64 3krx s PRO 347 N 0.09 2.05 0.00 -1.68 0.04 -1.25 -4.76 135.00 129.48 3krx s PRO 347 Ca 0.31 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.94 3krx s PRO 347 Cb -0.18 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3krx s PRO 347 CO 0.16 -1.63 0.73 -2.39 0.04 0.00 0.00 177.00 173.91 3krx n HIS 348 N -3.43 0.00 -1.46 0.56 1.44 -1.26 -2.06 115.22 109.01 3krx n HIS 348 Ca 0.07 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.48 3krx n HIS 348 Cb 0.57 -0.02 0.20 0.00 0.12 0.00 0.00 29.99 30.86 3krx n HIS 348 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3krx s ALA 349 N 0.00 1.38 -0.65 1.59 0.00 -1.26 -4.60 121.76 118.22 3krx s ALA 349 Ca 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3krx s ALA 349 Cb 0.00 -2.87 0.41 0.00 0.00 0.00 0.00 23.12 20.65 3krx s ALA 349 CO 0.00 -2.96 1.75 0.45 0.00 0.00 0.00 175.76 174.99 3krx n SER 350 N -4.24 6.71 -4.74 0.00 2.88 -1.25 -4.63 113.62 108.35 3krx n SER 350 Ca 0.13 -3.79 -0.40 0.00 -1.33 0.00 0.00 58.87 53.47 3krx n SER 350 Cb 0.59 -0.83 -0.05 0.00 -0.75 0.00 0.00 64.21 63.17 3krx n SER 350 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3krx s VAL 351 N -5.04 4.69 -5.00 2.46 1.01 -1.26 -4.96 120.40 112.30 3krx s VAL 351 Ca 0.55 1.72 0.00 0.00 0.00 0.00 0.00 61.98 64.25 3krx s VAL 351 Cb 0.45 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.67 3krx s VAL 351 CO -0.20 0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.86 3krx n GLY 352 N 2.38 0.47 3.79 4.51 0.00 -1.25 -4.82 105.19 110.27 3krx n GLY 352 Ca -0.01 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 3krx n GLY 352 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3krx s THR 353 N -2.07 5.13 -0.49 2.61 2.01 -1.26 -5.02 115.64 116.55 3krx s THR 353 Ca 0.00 0.07 0.16 0.00 0.31 0.00 0.00 61.69 62.23 3krx s THR 353 Cb 0.00 -3.23 0.16 0.00 0.01 0.00 0.00 72.50 69.43 3krx s THR 353 CO 0.00 0.59 1.48 1.41 -0.69 0.00 0.00 174.62 177.40 3krx n HIS 354 N 2.30 0.51 0.51 4.92 -0.00 -1.26 -1.31 115.22 120.88 3krx n HIS 354 Ca -0.19 0.25 0.12 0.00 -0.00 0.00 0.00 57.72 57.90 3krx n HIS 354 Cb 0.54 -0.91 0.07 0.00 -0.00 0.00 0.00 29.99 29.70 3krx n HIS 354 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3krx n GLY 355 N -1.14 -1.31 0.06 -1.41 0.00 -1.26 -4.49 105.19 95.65 3krx n GLY 355 Ca -0.00 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.71 3krx n GLY 355 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3krx n TYR 356 N -2.10 0.00 -3.17 1.61 4.01 -0.43 -4.79 117.16 112.30 3krx n TYR 356 Ca 0.02 -0.47 -0.39 0.00 -0.16 0.00 0.00 57.90 56.90 3krx n TYR 356 Cb 0.45 -0.06 -0.06 0.00 -0.31 0.00 0.00 39.34 39.36 3krx n TYR 356 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3krx s MET 357 N -1.13 4.34 0.65 -0.72 -1.94 -1.20 -4.14 119.30 115.15 3krx s MET 357 Ca 0.07 0.86 -0.14 0.00 -1.71 0.00 0.00 55.69 54.77 3krx s MET 357 Cb 0.06 -3.28 -0.01 0.00 2.01 0.00 0.00 34.83 33.61 3krx s MET 357 CO 0.01 0.52 1.07 0.00 -0.01 0.00 0.00 175.02 176.60 3krx s ALA 358 N -0.76 2.64 0.32 3.03 0.00 -1.26 -4.94 121.76 120.79 3krx s ALA 358 Ca 0.32 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.61 3krx s ALA 358 Cb -0.20 -3.23 0.56 0.00 0.00 0.00 0.00 23.12 20.25 3krx s ALA 358 CO 0.20 -1.07 1.96 -1.35 0.00 0.00 0.00 175.76 175.51 3krx h PRO 359 N -0.06 0.95 0.00 0.00 0.11 -1.91 -2.28 132.00 128.81 3krx h PRO 359 Ca -0.46 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3krx h PRO 359 Cb 1.22 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3krx h PRO 359 CO 0.56 0.63 -0.09 1.05 -0.21 0.00 0.00 178.00 179.94 3krx h GLU 360 N 0.98 0.00 -0.09 1.05 9.09 -1.92 -2.50 114.58 121.18 3krx h GLU 360 Ca 0.31 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.52 3krx h GLU 360 Cb 0.03 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.15 3krx h GLU 360 CO -0.09 0.09 -0.73 0.28 0.05 0.00 0.00 179.01 178.61 3krx h VAL 361 N 0.00 1.32 0.00 -1.06 2.07 -1.68 -3.34 116.25 113.56 3krx h VAL 361 Ca -0.00 -2.00 -0.12 0.00 0.82 0.00 0.00 66.70 65.41 3krx h VAL 361 Cb 0.60 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 3krx h VAL 361 CO 0.01 0.61 -0.55 -0.07 0.02 0.00 0.00 177.57 177.60 3krx h LEU 362 N 0.31 0.00-10.02 2.57 3.38 -1.35 -3.32 115.31 106.88 3krx h LEU 362 Ca -0.07 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.40 3krx h LEU 362 Cb 1.38 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.19 3krx h LEU 362 CO 0.15 0.55 0.46 -1.10 0.09 0.00 0.00 178.44 178.59 3krx s GLN 363 N -3.50 3.71 0.00 1.13 -1.52 -0.97 -4.98 119.66 113.53 3krx s GLN 363 Ca -0.00 1.69 0.00 0.00 -1.95 0.00 0.00 55.36 55.10 3krx s GLN 363 Cb 0.12 -2.32 0.00 0.00 -0.22 0.00 0.00 33.01 30.59 3krx s GLN 363 CO 0.74 -0.57 0.91 1.17 -0.25 0.00 0.00 175.29 177.29 3krx n LYS 364 N -0.64 0.00 -1.16 2.91 4.81 -1.26 -3.84 118.16 118.97 3krx n LYS 364 Ca 0.08 0.76 -0.06 0.00 -0.87 0.00 0.00 58.31 58.22 3krx n LYS 364 Cb 0.49 -1.41 0.14 0.00 0.02 0.00 0.00 35.03 34.27 3krx n LYS 364 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3krx n GLY 365 N -0.97 5.63 3.60 3.14 0.00 -1.26 -4.82 105.19 110.51 3krx n GLY 365 Ca 0.00 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 3krx n GLY 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3krx s VAL 366 N -3.78 4.82 0.70 1.61 1.01 -1.25 -5.02 120.40 118.48 3krx s VAL 366 Ca 0.43 1.04 -0.12 0.00 0.00 0.00 0.00 61.98 63.34 3krx s VAL 366 Cb 0.39 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.65 3krx s VAL 366 CO -0.03 -0.26 1.07 0.00 0.00 0.00 0.00 175.10 175.88 3krx s ALA 367 N 2.90 2.58 0.26 5.51 0.00 -1.26 -4.60 121.76 127.15 3krx s ALA 367 Ca 0.30 0.19 -0.21 0.00 0.00 0.00 0.00 51.96 52.25 3krx s ALA 367 Cb -0.14 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.79 3krx s ALA 367 CO 0.13 -1.29 0.69 1.52 0.00 0.00 0.00 175.76 176.81 3krx s TYR 368 N -2.90 -0.20 0.00 0.00 -0.85 -0.87 -4.97 117.35 107.56 3krx s TYR 368 Ca 0.60 -0.22 0.00 0.00 -0.52 0.00 0.00 57.07 56.92 3krx s TYR 368 Cb -0.15 0.67 0.00 0.00 0.38 0.00 0.00 41.96 42.85 3krx s TYR 368 CO 0.52 -1.18 0.00 -0.40 -1.52 0.00 0.00 175.55 172.97 3krx n ASP 369 N -0.45 0.00 0.20 -0.18 5.68 -1.26 -3.95 116.55 116.60 3krx n ASP 369 Ca -0.05 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.38 3krx n ASP 369 Cb 0.60 0.00 0.64 0.00 -1.14 0.00 0.00 41.12 41.21 3krx n ASP 369 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3krx h SER 370 N 0.00 0.00 -0.97 -1.12 4.64 -1.96 -3.24 113.55 110.90 3krx h SER 370 Ca 0.00 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.51 3krx h SER 370 Cb 0.00 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 61.91 3krx h SER 370 CO 0.00 0.00 -0.26 -1.54 -0.87 0.00 0.00 176.83 174.16 3krx n SER 371 N -2.62 -0.38 -0.29 4.97 3.41 -1.26 -2.34 113.62 115.11 3krx n SER 371 Ca 0.01 1.68 -0.05 0.00 -0.26 0.00 0.00 58.87 60.25 3krx n SER 371 Cb 0.22 -0.49 0.09 0.00 -0.26 0.00 0.00 64.21 63.77 3krx n SER 371 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3krx h ALA 372 N 1.88 1.12 0.00 7.33 0.00 -1.97 -2.76 119.26 124.86 3krx h ALA 372 Ca 0.45 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3krx h ALA 372 Cb 0.70 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3krx h ALA 372 CO -1.00 0.66 0.00 -0.44 0.00 0.00 0.00 179.25 178.47 3krx h ASP 373 N 1.17 0.00 0.55 0.00 3.45 -1.72 -2.22 116.42 117.65 3krx h ASP 373 Ca 0.28 0.00 -0.27 0.00 0.43 0.00 0.00 57.03 57.47 3krx h ASP 373 Cb 0.14 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.92 3krx h ASP 373 CO -0.03 0.00 -1.20 -0.50 -1.57 0.00 0.00 179.24 175.94 3krx h TRP 374 N 0.00 0.55 -0.24 4.55 4.06 -1.56 -2.69 115.95 120.62 3krx h TRP 374 Ca 0.00 -0.38 -0.09 0.00 2.06 0.00 0.00 58.89 60.47 3krx h TRP 374 Cb 0.32 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 3krx h TRP 374 CO 0.00 1.27 -0.25 0.35 -3.56 0.00 0.00 178.44 176.25 3krx h PHE 375 N 0.11 0.52 0.00 0.49 3.57 -1.45 -2.59 116.94 117.59 3krx h PHE 375 Ca -0.13 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.16 3krx h PHE 375 Cb 1.90 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.50 3krx h PHE 375 CO 0.07 0.68 -0.48 0.77 -2.23 0.00 0.00 178.31 177.12 3krx h SER 376 N 0.41 0.00 -0.33 0.41 0.02 -1.46 -2.38 113.55 110.22 3krx h SER 376 Ca 0.06 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 3krx h SER 376 Cb 0.66 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3krx h SER 376 CO 0.05 0.48 -0.03 0.25 -1.14 0.00 0.00 176.83 176.44 3krx h LEU 377 N 0.00 0.60 -0.09 5.07 5.85 -1.12 -0.44 115.31 125.18 3krx h LEU 377 Ca -0.00 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.39 3krx h LEU 377 Cb 0.86 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3krx h LEU 377 CO 0.06 0.79 0.04 1.23 -0.34 0.00 0.00 178.44 180.22 3krx h GLY 378 N 0.39 0.11 0.85 3.75 0.00 -1.43 0.95 103.07 107.70 3krx h GLY 378 Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.43 3krx h GLY 378 CO 0.02 0.02 0.45 0.00 0.00 0.00 0.00 176.54 177.03 3krx h MET 380 N 0.87 0.33 0.00 0.00 -1.53 -0.95 -3.04 114.93 110.60 3krx h MET 380 Ca 0.29 -0.27 -0.02 0.00 -3.44 0.00 0.00 59.70 56.26 3krx h MET 380 Cb 0.03 0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 31.14 3krx h MET 380 CO -0.12 0.91 -0.11 -0.07 0.14 0.00 0.00 176.91 177.67 3krx h LEU 381 N -0.18 0.00 -0.41 3.39 3.38 -0.73 -1.65 115.31 119.11 3krx h LEU 381 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3krx h LEU 381 Cb 0.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3krx h LEU 381 CO 0.07 0.11 0.08 0.15 0.09 0.00 0.00 178.44 178.94 3krx h PHE 382 N 0.00 0.70 0.00 1.13 3.57 -1.22 -3.21 116.94 117.91 3krx h PHE 382 Ca -0.00 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 3krx h PHE 382 Cb 0.21 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3krx h PHE 382 CO 0.00 0.68 -0.24 -0.22 -2.23 0.00 0.00 178.31 176.30 3krx h LYS 383 N 0.52 0.00 0.00 1.11 3.64 -1.19 -1.08 116.57 119.57 3krx h LYS 383 Ca 0.13 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3krx h LYS 383 Cb 0.34 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3krx h LYS 383 CO 0.00 0.24 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.22 3krx h LEU 384 N 0.00 0.00 0.01 5.20 3.38 -1.51 -0.21 115.31 122.18 3krx h LEU 384 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.63 3krx h LEU 384 Cb 0.45 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 3krx h LEU 384 CO 0.03 0.14 -2.05 0.18 0.09 0.00 0.00 178.44 176.83 3krx n LEU 385 N -3.26 0.72 0.00 1.67 4.77 -0.61 -1.38 117.00 118.91 3krx n LEU 385 Ca 0.01 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3krx n LEU 385 Cb 0.40 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3krx n LEU 385 CO 0.31 0.49 -0.43 0.54 -1.33 0.00 0.00 177.39 176.98 3krx n ARG 386 N -2.96 0.87 0.00 3.23 5.12 -0.51 -4.64 116.66 117.77 3krx n ARG 386 Ca -0.26 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.66 3krx n ARG 386 Cb 1.09 -0.93 0.00 0.00 -1.16 0.00 0.00 32.46 31.47 3krx n ARG 386 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3krx n GLY 387 N 2.14 1.00 3.75 -0.13 0.00 -0.09 -5.01 105.19 106.85 3krx n GLY 387 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3krx n GLY 387 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3krx s HIS 388 N -2.00 -0.15 0.40 1.61 -3.43 -1.25 -5.02 115.29 105.45 3krx s HIS 388 Ca 0.00 -0.16 -0.26 0.00 -0.80 0.00 0.00 55.06 53.84 3krx s HIS 388 Cb 0.00 0.64 -0.09 0.00 -1.43 0.00 0.00 32.58 31.71 3krx s HIS 388 CO 0.00 -0.86 1.25 0.45 -2.00 0.00 0.00 174.74 173.57 3krx s SER 389 N -2.91 6.42 0.61 7.38 0.15 -1.26 -3.34 113.70 120.75 3krx s SER 389 Ca 0.12 2.53 0.38 0.00 0.70 0.00 0.00 55.95 59.68 3krx s SER 389 Cb -0.02 -2.63 2.00 0.00 -1.71 0.00 0.00 66.02 63.66 3krx s SER 389 CO 0.02 -0.77 2.24 1.55 1.20 0.00 0.00 173.24 177.48 3krx h PRO 390 N 2.70 0.00 0.00 5.44 0.13 -1.88 -1.45 132.00 136.94 3krx h PRO 390 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3krx h PRO 390 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3krx h PRO 390 CO 0.63 0.02 -0.90 1.19 -0.23 0.00 0.00 178.00 178.71 3krx n PHE 391 N -3.26 0.13 -2.82 1.56 3.01 -1.26 -4.83 117.46 109.98 3krx n PHE 391 Ca -0.02 0.04 -0.42 0.00 1.01 0.00 0.00 57.45 58.06 3krx n PHE 391 Cb 0.15 -0.29 -0.04 0.00 -0.01 0.00 0.00 39.48 39.29 3krx n PHE 391 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3krx s ARG 392 N -3.10 4.40 -0.03 -1.08 6.06 -0.55 -4.74 118.95 119.91 3krx s ARG 392 Ca 0.06 1.17 -0.05 0.00 -2.50 0.00 0.00 55.73 54.42 3krx s ARG 392 Cb 0.16 -3.53 0.01 0.00 0.06 0.00 0.00 34.95 31.65 3krx s ARG 392 CO 0.79 -0.22 0.12 -0.65 -2.50 0.00 0.00 175.30 172.84 3krx s GLN 393 N 1.70 0.23 -1.41 5.12 -0.21 -1.26 -4.67 119.66 119.17 3krx s GLN 393 Ca 0.43 -0.01 -0.00 0.00 0.02 0.00 0.00 55.36 55.81 3krx s GLN 393 Cb -0.18 0.10 0.00 0.00 1.00 0.00 0.00 33.01 33.93 3krx s GLN 393 CO 0.17 -0.04 0.03 0.72 -2.12 0.00 0.00 175.29 174.05 3krx n HIS 394 N 2.57 -1.25 -4.13 0.91 8.25 -1.26 -1.83 115.22 118.48 3krx n HIS 394 Ca -0.15 0.02 -0.33 0.00 -0.26 0.00 0.00 57.72 57.00 3krx n HIS 394 Cb 0.58 -3.36 -0.02 0.00 1.12 0.00 0.00 29.99 28.31 3krx n HIS 394 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3krx n LYS 395 N -2.95 -3.48 -2.07 -0.41 3.00 -1.26 -4.92 118.16 106.07 3krx n LYS 395 Ca -0.19 0.40 -0.36 0.00 -0.00 0.00 0.00 58.31 58.17 3krx n LYS 395 Cb 0.65 -5.01 0.03 0.00 0.00 0.00 0.00 35.03 30.69 3krx n LYS 395 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3krx s THR 396 N -3.44 2.75 -0.48 3.15 -1.32 -0.76 -4.99 115.64 110.55 3krx s THR 396 Ca 0.57 0.47 0.08 0.00 -1.21 0.00 0.00 61.69 61.60 3krx s THR 396 Cb -0.31 -3.19 0.34 0.00 -1.51 0.00 0.00 72.50 67.83 3krx s THR 396 CO 0.91 -0.10 0.83 0.29 -2.21 0.00 0.00 174.62 174.34 3krx n LYS 397 N -1.49 2.12 -3.57 7.08 5.02 -1.26 -4.85 118.16 121.21 3krx n LYS 397 Ca 0.13 -4.15 -0.29 0.00 -2.02 0.00 0.00 58.31 51.98 3krx n LYS 397 Cb 0.50 -1.97 -0.13 0.00 -0.02 0.00 0.00 35.03 33.41 3krx n LYS 397 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3krx s ASP 398 N -2.88 3.29 0.29 4.39 2.15 -1.26 -5.03 116.67 117.63 3krx s ASP 398 Ca 0.44 -2.26 0.04 0.00 0.43 0.00 0.00 52.55 51.21 3krx s ASP 398 Cb 0.30 -0.64 0.74 0.00 -0.30 0.00 0.00 42.92 43.02 3krx s ASP 398 CO -0.11 -0.31 1.70 0.07 -0.17 0.00 0.00 175.17 176.36 3krx h LYS 399 N 7.06 0.42 0.00 4.34 2.10 -1.98 -0.94 116.57 127.57 3krx h LYS 399 Ca 0.01 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.52 3krx h LYS 399 Cb 0.96 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 32.18 3krx h LYS 399 CO 0.36 0.28 -0.53 0.45 -2.00 0.00 0.00 179.45 178.01 3krx h HIS 400 N 0.43 0.00 -0.10 0.07 3.86 -1.98 -1.54 115.15 115.89 3krx h HIS 400 Ca 0.57 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.54 3krx h HIS 400 Cb 1.07 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.56 3krx h HIS 400 CO -0.12 0.53 -0.87 1.49 0.86 0.00 0.00 177.93 179.82 3krx h GLU 401 N 0.00 0.75 -0.59 2.45 4.81 -1.63 -2.86 114.58 117.51 3krx h GLU 401 Ca -0.01 -0.68 -0.09 0.00 -0.13 0.00 0.00 59.36 58.46 3krx h GLU 401 Cb 0.97 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 3krx h GLU 401 CO 0.07 1.27 0.02 0.82 -0.73 0.00 0.00 179.01 180.46 3krx h ILE 402 N 0.48 1.26 0.00 2.32 2.04 -1.20 -2.49 117.51 119.93 3krx h ILE 402 Ca -0.08 -1.10 -0.06 0.00 1.00 0.00 0.00 64.86 64.62 3krx h ILE 402 Cb 1.51 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3krx h ILE 402 CO 0.18 0.40 -0.29 0.44 0.00 0.00 0.00 178.15 178.88 3krx h ASP 403 N 0.93 0.00 1.67 1.72 3.32 -1.34 -2.84 116.42 119.88 3krx h ASP 403 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3krx h ASP 403 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3krx h ASP 403 CO 0.02 0.29 0.00 -0.09 -1.72 0.00 0.00 179.24 177.74 3krx h ARG 404 N 0.00 0.00 -0.03 3.56 2.43 -1.21 -3.15 114.38 115.98 3krx h ARG 404 Ca -0.00 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 3krx h ARG 404 Cb 0.58 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3krx h ARG 404 CO 0.04 0.00 -0.63 0.52 -1.51 0.00 0.00 179.97 178.38 3krx h MET 405 N 0.00 0.49 -0.24 0.20 2.86 -1.25 -3.01 114.93 113.99 3krx h MET 405 Ca 0.00 -0.48 0.06 0.00 -2.06 0.00 0.00 59.70 57.22 3krx h MET 405 Cb 0.83 0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.55 3krx h MET 405 CO 0.00 1.12 -0.26 1.15 1.06 0.00 0.00 176.91 179.98 3krx h THR 406 N 0.04 0.36 0.00 2.22 2.02 -1.53 0.95 112.91 116.96 3krx h THR 406 Ca -0.07 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 66.98 3krx h THR 406 Cb 1.32 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 3krx h THR 406 CO 0.13 0.00 -0.64 -0.07 0.37 0.00 0.00 175.52 175.31 3krx h LEU 407 N -0.28 0.00 0.00 2.58 3.38 -1.66 -3.40 115.31 115.94 3krx h LEU 407 Ca 0.13 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 3krx h LEU 407 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3krx h LEU 407 CO -0.40 0.64 -1.20 0.41 0.09 0.00 0.00 178.44 177.98 3krx n THR 408 N -3.72 1.08 -2.08 0.22 -1.04 -1.13 -5.02 114.28 102.57 3krx n THR 408 Ca -0.01 0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.60 3krx n THR 408 Cb 0.64 -1.84 -0.03 0.00 -1.82 0.00 0.00 70.33 67.29 3krx n THR 408 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 3krx s MET 409 N -2.37 4.27 -0.02 -2.82 0.00 0.31 -5.00 119.30 113.67 3krx s MET 409 Ca -0.18 2.16 -0.29 0.00 0.00 0.00 0.00 55.69 57.38 3krx s MET 409 Cb 0.05 -3.37 -0.03 0.00 0.00 0.00 0.00 34.83 31.49 3krx s MET 409 CO 0.24 -0.56 0.95 0.00 0.00 0.00 0.00 175.02 175.65 3krx s ALA 410 N 1.69 3.20 -0.23 4.11 0.00 -1.26 -4.75 121.76 124.52 3krx s ALA 410 Ca 0.67 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 3krx s ALA 410 Cb -0.38 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 3krx s ALA 410 CO 0.30 -0.25 1.52 0.08 0.00 0.00 0.00 175.76 177.40 3krx s VAL 411 N 1.08 3.84 -0.42 0.00 1.01 -1.26 -4.96 120.40 119.68 3krx s VAL 411 Ca 0.50 0.95 -0.27 0.00 0.00 0.00 0.00 61.98 63.16 3krx s VAL 411 Cb -0.20 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.37 3krx s VAL 411 CO 0.26 -0.33 0.99 -0.70 0.00 0.00 0.00 175.10 175.32 3krx s GLU 412 N 4.46 3.72 0.05 2.72 2.12 -1.26 -5.02 118.70 125.49 3krx s GLU 412 Ca 0.67 0.47 -0.18 0.00 0.36 0.00 0.00 54.97 56.28 3krx s GLU 412 Cb -0.23 -3.87 -0.06 0.00 0.26 0.00 0.00 34.13 30.23 3krx s GLU 412 CO 0.27 -1.14 0.53 -0.51 -0.54 0.00 0.00 175.26 173.87 3krx s LEU 413 N 3.82 4.51 1.09 2.70 1.43 -1.26 -5.07 118.68 125.90 3krx s LEU 413 Ca 0.41 1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 54.58 3krx s LEU 413 Cb -0.10 -2.82 0.24 0.00 0.03 0.00 0.00 46.19 43.54 3krx s LEU 413 CO 0.24 0.28 1.06 -2.84 0.23 0.00 0.00 176.35 175.33 3krx s PRO 414 N -1.06 -0.36 -0.06 1.29 0.02 -1.26 -5.00 135.00 128.57 3krx s PRO 414 Ca 0.28 1.09 0.05 0.00 0.02 0.00 0.00 61.00 62.44 3krx s PRO 414 Cb -0.19 -1.60 -0.24 0.00 0.02 0.00 0.00 34.50 32.49 3krx s PRO 414 CO 0.18 -3.42 0.58 -0.44 -0.33 0.00 0.00 177.00 173.56 3krx h ASP 415 N -2.42 0.16 -0.96 2.53 5.19 -2.01 -3.35 116.42 115.56 3krx h ASP 415 Ca -0.56 -0.36 0.06 0.00 -0.62 0.00 0.00 57.03 55.55 3krx h ASP 415 Cb 1.31 -0.05 -0.06 0.00 0.18 0.00 0.00 39.33 40.71 3krx h ASP 415 CO 0.47 1.32 0.62 0.77 -3.12 0.00 0.00 179.24 179.30 3krx h SER 416 N 0.03 1.00 -1.38 6.45 4.64 -2.06 -3.44 113.55 118.79 3krx h SER 416 Ca -0.33 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.34 3krx h SER 416 Cb 2.02 -0.21 0.11 0.00 -0.31 0.00 0.00 62.40 64.01 3krx h SER 416 CO 0.09 0.65 -0.43 0.49 -0.87 0.00 0.00 176.83 176.76 3krx n PHE 417 N -4.48 -0.26 -1.59 4.77 0.99 -1.26 -4.96 117.46 110.67 3krx n PHE 417 Ca 0.14 0.88 -0.31 0.00 -0.00 0.00 0.00 57.45 58.17 3krx n PHE 417 Cb 0.17 -2.00 0.06 0.00 -1.00 0.00 0.00 39.48 36.71 3krx n PHE 417 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3krx s SER 418 N -0.91 5.06 0.13 4.37 1.04 -1.26 -4.93 113.70 117.19 3krx s SER 418 Ca 0.63 1.46 -0.15 0.00 0.48 0.00 0.00 55.95 58.36 3krx s SER 418 Cb -0.85 -2.28 -0.02 0.00 0.10 0.00 0.00 66.02 62.97 3krx s SER 418 CO 0.57 -1.63 1.62 -0.65 0.98 0.00 0.00 173.24 174.13 3krx h PRO 419 N -0.85 0.64 0.00 4.02 0.11 -1.96 -2.59 132.00 131.38 3krx h PRO 419 Ca -0.45 -0.16 -0.02 0.00 0.11 0.00 0.00 66.00 65.48 3krx h PRO 419 Cb 1.24 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3krx h PRO 419 CO 0.58 0.68 -0.09 1.05 -0.21 0.00 0.00 178.00 180.01 3krx h GLU 420 N 0.50 0.00 -0.02 1.05 9.09 -1.94 -0.48 114.58 122.79 3krx h GLU 420 Ca 0.12 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.50 3krx h GLU 420 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 3krx h GLU 420 CO 0.00 0.09 -0.11 1.25 0.05 0.00 0.00 179.01 180.30 3krx h LEU 421 N 0.00 0.12 -0.91 3.06 5.85 -1.92 -2.85 115.31 118.66 3krx h LEU 421 Ca -0.00 -0.69 0.11 0.00 0.84 0.00 0.00 57.88 58.14 3krx h LEU 421 Cb 0.33 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 3krx h LEU 421 CO 0.01 0.79 0.55 -0.09 -0.34 0.00 0.00 178.44 179.36 3krx h ARG 422 N -0.54 0.87 -0.54 1.25 2.43 -1.10 -0.55 114.38 116.20 3krx h ARG 422 Ca -0.01 -0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.21 3krx h ARG 422 Cb 0.79 -0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 30.07 3krx h ARG 422 CO 0.02 0.58 0.08 1.03 -1.51 0.00 0.00 179.97 180.17 3krx h SER 423 N 0.90 -0.05 0.55 -3.80 0.87 -1.13 -3.02 113.55 107.87 3krx h SER 423 Ca 0.44 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 61.08 3krx h SER 423 Cb 0.41 0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.54 3krx h SER 423 CO -0.25 -0.01 -0.26 0.25 -0.53 0.00 0.00 176.83 176.03 3krx h LEU 424 N 0.21 -0.62 -0.53 2.23 5.85 -0.94 -3.21 115.31 118.30 3krx h LEU 424 Ca 0.28 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.03 3krx h LEU 424 Cb 0.40 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3krx h LEU 424 CO -0.38 -0.22 0.34 -0.07 -0.34 0.00 0.00 178.44 177.77 3krx h LEU 425 N -1.20 0.56 -1.46 2.25 3.38 -1.19 -0.52 115.31 117.14 3krx h LEU 425 Ca -0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3krx h LEU 425 Cb 0.57 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3krx h LEU 425 CO 0.12 0.40 0.00 1.05 0.09 0.00 0.00 178.44 180.11 3krx h GLU 426 N 0.68 0.00 -0.36 1.13 4.11 -1.70 0.37 114.58 118.81 3krx h GLU 426 Ca 0.21 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.53 3krx h GLU 426 Cb -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3krx h GLU 426 CO -0.07 0.00 -0.19 0.78 0.07 0.00 0.00 179.01 179.60 3krx h GLY 427 N 2.04 0.83 0.83 1.06 0.00 -1.13 -2.90 103.07 103.80 3krx h GLY 427 Ca 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 47.33 46.43 3krx h GLY 427 CO 0.00 0.68 -0.53 1.41 0.00 0.00 0.00 176.54 178.11 3krx h LEU 428 N 0.55 0.57 -1.51 3.11 3.38 -0.22 -2.79 115.31 118.39 3krx h LEU 428 Ca 0.08 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3krx h LEU 428 Cb 0.73 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3krx h LEU 428 CO 0.06 1.17 0.00 0.18 0.09 0.00 0.00 178.44 179.94 3krx n LEU 429 N -4.24 2.17 -4.71 1.67 4.77 0.12 -3.87 117.00 112.90 3krx n LEU 429 Ca -0.09 -1.09 -0.42 0.00 -0.03 0.00 0.00 56.01 54.38 3krx n LEU 429 Cb 0.62 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3krx n LEU 429 CO 0.46 0.38 1.14 -1.58 -1.33 0.00 0.00 177.39 176.46 3krx s GLN 430 N -1.65 4.28 0.08 3.23 2.00 -1.09 -4.93 119.66 121.58 3krx s GLN 430 Ca 0.20 2.13 -0.17 0.00 -2.00 0.00 0.00 55.36 55.52 3krx s GLN 430 Cb 0.13 -3.34 -0.09 0.00 0.80 0.00 0.00 33.01 30.51 3krx s GLN 430 CO 0.09 -0.53 1.46 0.00 -0.50 0.00 0.00 175.29 175.82 3krx h ARG 431 N 7.21 0.52 -6.35 1.67 3.08 -1.90 -3.43 114.38 115.18 3krx h ARG 431 Ca -0.41 -0.22 -0.54 0.00 0.07 0.00 0.00 59.98 58.88 3krx h ARG 431 Cb 1.20 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3krx h ARG 431 CO 0.89 0.76 0.98 -0.51 -1.07 0.00 0.00 179.97 181.02 3krx s ASP 432 N -6.16 6.71 0.17 7.04 1.01 -1.26 -4.87 116.67 119.30 3krx s ASP 432 Ca -0.13 2.26 -0.09 0.00 0.71 0.00 0.00 52.55 55.30 3krx s ASP 432 Cb 0.08 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.49 3krx s ASP 432 CO 0.77 -0.85 1.55 0.58 0.21 0.00 0.00 175.17 177.43 3krx h VAL 433 N 5.15 1.27 0.00 -1.27 2.07 -1.96 -2.09 116.25 119.42 3krx h VAL 433 Ca -0.39 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 65.70 3krx h VAL 433 Cb 1.18 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3krx h VAL 433 CO 0.93 0.48 0.00 -0.46 0.02 0.00 0.00 177.57 178.55 3krx n ASN 434 N -4.09 0.62 -0.83 0.57 0.23 -1.26 -2.56 115.26 107.93 3krx n ASN 434 Ca -0.00 0.70 0.07 0.00 -0.53 0.00 0.00 54.58 54.82 3krx n ASN 434 Cb 0.48 -0.81 0.22 0.00 -2.08 0.00 0.00 39.78 37.58 3krx n ASN 434 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 3krx n ARG 435 N -2.23 2.98 -4.30 -3.83 0.63 -0.80 -4.86 116.66 104.24 3krx n ARG 435 Ca 0.01 -2.46 -0.31 0.00 -0.92 0.00 0.00 57.85 54.16 3krx n ARG 435 Cb 0.15 -1.57 -0.09 0.00 0.45 0.00 0.00 32.46 31.40 3krx n ARG 435 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 3krx s ARG 436 N -1.85 2.57 0.19 -0.14 3.52 -1.06 -4.90 118.95 117.27 3krx s ARG 436 Ca 0.34 -0.76 -0.30 0.00 -0.13 0.00 0.00 55.73 54.88 3krx s ARG 436 Cb 0.23 -2.53 -0.08 0.00 -1.56 0.00 0.00 34.95 31.00 3krx s ARG 436 CO 0.14 0.58 1.27 -0.51 -0.81 0.00 0.00 175.30 175.97 3krx s LEU 437 N -1.77 4.42 0.00 -0.88 1.43 -1.05 -3.25 118.68 117.58 3krx s LEU 437 Ca 0.20 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 3krx s LEU 437 Cb -0.11 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.50 3krx s LEU 437 CO 0.12 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 176.83 3krx n GLY 438 N 2.37 0.81 0.00 -3.19 0.00 -1.26 -4.86 105.19 99.06 3krx n GLY 438 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3krx n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krx h LEU 440 N 0.00 0.00 0.00 0.00 3.38 -1.88 -3.47 115.31 113.34 3krx h LEU 440 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3krx h LEU 440 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3krx h LEU 440 CO 0.00 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.24 3krx n GLY 441 N 1.32 2.57 0.95 0.83 0.00 -1.26 -4.99 105.19 104.61 3krx n GLY 441 Ca 0.03 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.88 3krx n GLY 441 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krx n ARG 442 N 0.00 2.24 0.00 1.61 1.74 -1.26 -5.03 116.66 115.97 3krx n ARG 442 Ca 0.00 -1.87 0.00 0.00 -0.77 0.00 0.00 57.85 55.21 3krx n ARG 442 Cb 0.00 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 3krx n ARG 442 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3krx n GLY 443 N 1.37 3.68 0.30 -0.13 0.00 -1.26 -2.33 105.19 106.84 3krx n GLY 443 Ca 0.18 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.35 3krx n GLY 443 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krx h ALA 444 N -0.85 1.95 -0.05 4.61 0.00 -1.96 -2.56 119.26 120.40 3krx h ALA 444 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3krx h ALA 444 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3krx h ALA 444 CO 0.00 -0.17 -0.11 0.37 0.00 0.00 0.00 179.25 179.34 3krx h GLN 445 N 0.00 0.07 -0.39 0.00 5.75 -1.87 -1.85 115.11 116.81 3krx h GLN 445 Ca 0.06 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.45 3krx h GLN 445 Cb 0.28 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 3krx h GLN 445 CO -0.00 0.18 -0.17 0.93 -2.65 0.00 0.00 178.83 177.11 3krx h GLU 446 N 0.06 0.74 -0.13 1.69 5.08 -1.63 -1.95 114.58 118.46 3krx h GLU 446 Ca 0.01 -0.27 -0.17 0.00 -1.00 0.00 0.00 59.36 57.93 3krx h GLU 446 Cb 0.23 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.44 3krx h GLU 446 CO 0.01 0.87 -0.60 0.28 -1.00 0.00 0.00 179.01 178.57 3krx h VAL 447 N 0.66 1.33 -0.22 3.13 2.07 -1.61 -3.18 116.25 118.43 3krx h VAL 447 Ca 0.10 -1.87 0.05 0.00 0.82 0.00 0.00 66.70 65.81 3krx h VAL 447 Cb 0.66 2.11 -0.06 0.00 -1.52 0.00 0.00 31.29 32.48 3krx h VAL 447 CO 0.05 0.57 -0.14 0.11 0.02 0.00 0.00 177.57 178.18 3krx h LYS 448 N 0.28 -0.13 -0.29 1.57 1.57 -1.25 -2.11 116.57 116.21 3krx h LYS 448 Ca -0.04 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3krx h LYS 448 Cb 1.24 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3krx h LYS 448 CO 0.12 -0.09 0.00 -0.85 -0.57 0.00 0.00 179.45 178.07 3krx n GLU 449 N -5.30 0.97 -1.62 3.15 0.28 -0.74 -4.66 120.64 112.72 3krx n GLU 449 Ca -0.01 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.64 3krx n GLU 449 Cb 0.22 -1.15 0.07 0.00 1.43 0.00 0.00 31.44 32.02 3krx n GLU 449 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3krx s SER 450 N -0.73 4.56 0.58 -1.84 0.15 -0.79 -4.94 113.70 110.69 3krx s SER 450 Ca 0.00 2.32 0.28 0.00 0.70 0.00 0.00 55.95 59.25 3krx s SER 450 Cb 0.00 -2.59 1.70 0.00 -1.71 0.00 0.00 66.02 63.42 3krx s SER 450 CO 0.00 -2.02 2.17 1.55 1.20 0.00 0.00 173.24 176.15 3krx h PRO 451 N 0.04 0.00 -0.54 5.44 0.13 -1.89 -2.98 132.00 132.20 3krx h PRO 451 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 3krx h PRO 451 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 3krx h PRO 451 CO 0.52 0.00 0.02 0.35 -0.23 0.00 0.00 178.00 178.65 3krx h PHE 452 N 0.00 1.03 -0.69 1.56 3.57 -1.92 -3.17 116.94 117.31 3krx h PHE 452 Ca 0.04 -0.17 -0.42 0.00 3.53 0.00 0.00 57.97 60.96 3krx h PHE 452 Cb 0.25 -0.27 -0.21 0.00 2.79 0.00 0.00 35.95 38.51 3krx h PHE 452 CO 0.00 0.93 0.54 1.19 -2.23 0.00 0.00 178.31 178.74 3krx n PHE 453 N -4.29 2.20 0.33 0.41 3.72 -1.13 -4.59 117.46 114.12 3krx n PHE 453 Ca 0.02 -1.93 0.15 0.00 -0.05 0.00 0.00 57.45 55.63 3krx n PHE 453 Cb 0.32 -0.95 0.49 0.00 -0.94 0.00 0.00 39.48 38.40 3krx n PHE 453 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3krx h ARG 454 N 1.20 0.00 0.00 -1.08 2.43 -1.67 -3.18 114.38 112.08 3krx h ARG 454 Ca 0.43 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.36 3krx h ARG 454 Cb 1.58 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.09 3krx h ARG 454 CO 0.94 0.00 -1.38 0.66 -1.51 0.00 0.00 179.97 178.68 3krx h SER 455 N 0.00 0.00 -4.06 -3.80 4.64 -1.88 -3.48 113.55 104.96 3krx h SER 455 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 3krx h SER 455 Cb 0.63 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 3krx h SER 455 CO 0.00 0.93 0.34 -0.76 -0.87 0.00 0.00 176.83 176.48 3krx s LEU 456 N -6.28 3.93 -0.47 5.97 1.43 -1.20 -5.03 118.68 117.02 3krx s LEU 456 Ca -0.02 1.70 -0.13 0.00 -1.03 0.00 0.00 54.13 54.64 3krx s LEU 456 Cb 0.09 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.86 3krx s LEU 456 CO 0.82 -0.39 0.38 -0.62 0.23 0.00 0.00 176.35 176.77 3krx s ASP 457 N -2.20 5.99 0.54 2.29 -1.08 -1.26 -4.98 116.67 115.97 3krx s ASP 457 Ca 0.62 -1.51 0.23 0.00 -0.52 0.00 0.00 52.55 51.37 3krx s ASP 457 Cb -0.09 -2.13 1.48 0.00 -1.46 0.00 0.00 42.92 40.72 3krx s ASP 457 CO 0.14 -0.67 2.16 -0.50 0.52 0.00 0.00 175.17 176.82 3krx h TRP 458 N 8.67 0.00 -0.72 -5.34 4.06 -1.96 0.17 115.95 120.84 3krx h TRP 458 Ca -0.27 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.72 3krx h TRP 458 Cb 1.10 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.21 3krx h TRP 458 CO 0.65 0.05 0.44 0.37 -3.56 0.00 0.00 178.44 176.39 3krx h GLN 459 N 0.00 0.82 -0.45 0.49 5.75 -1.99 -2.01 115.11 117.72 3krx h GLN 459 Ca -0.00 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.37 3krx h GLN 459 Cb 0.10 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3krx h GLN 459 CO 0.01 0.55 -0.06 0.52 -2.65 0.00 0.00 178.83 177.19 3krx h MET 460 N 0.85 0.77 0.52 1.69 2.86 -1.06 -1.81 114.93 118.74 3krx h MET 460 Ca 0.30 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3krx h MET 460 Cb 0.06 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3krx h MET 460 CO -0.13 0.82 -0.46 0.28 1.06 0.00 0.00 176.91 178.49 3krx h VAL 461 N 0.71 0.09 -0.93 -2.22 2.07 -1.22 -2.34 116.25 112.41 3krx h VAL 461 Ca 0.13 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.88 3krx h VAL 461 Cb 0.52 0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 30.26 3krx h VAL 461 CO 0.03 0.00 0.47 0.15 0.02 0.00 0.00 177.57 178.24 3krx h PHE 462 N -0.96 0.79 0.00 1.57 3.04 -1.09 0.60 116.94 120.88 3krx h PHE 462 Ca -0.06 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.93 3krx h PHE 462 Cb 0.83 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 39.14 3krx h PHE 462 CO -0.21 -0.01 0.00 1.28 -2.02 0.00 0.00 178.31 177.35 3krx n LEU 463 N -4.99 0.00 -3.94 0.59 4.77 -0.71 -4.87 117.00 107.86 3krx n LEU 463 Ca 0.24 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.92 3krx n LEU 463 Cb 0.69 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.77 3krx n LEU 463 CO 0.14 0.00 -0.21 0.00 -1.33 0.00 0.00 177.39 175.99 3krx n GLN 464 N -0.66 -2.18 -0.05 3.23 6.02 0.21 -4.89 117.38 119.06 3krx n GLN 464 Ca 0.06 0.34 -0.04 0.00 -0.01 0.00 0.00 57.00 57.35 3krx n GLN 464 Cb 0.03 -4.09 -0.10 0.00 1.02 0.00 0.00 30.24 27.09 3krx n GLN 464 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3krx n LYS 465 N -4.45 1.60 -2.08 -1.09 4.76 -1.02 -4.97 118.16 110.93 3krx n LYS 465 Ca -0.24 -0.03 -0.40 0.00 -2.87 0.00 0.00 58.31 54.78 3krx n LYS 465 Cb 0.65 -1.33 -0.01 0.00 -1.84 0.00 0.00 35.03 32.50 3krx n LYS 465 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3krx s TYR 466 N -2.44 2.86 0.13 2.13 4.12 -1.26 -4.97 117.35 117.92 3krx s TYR 466 Ca -0.06 1.42 -0.30 0.00 0.02 0.00 0.00 57.07 58.14 3krx s TYR 466 Cb 0.05 -3.66 -0.07 0.00 -1.52 0.00 0.00 41.96 36.76 3krx s TYR 466 CO 0.54 -2.01 1.26 -1.25 0.02 0.00 0.00 175.55 174.11 3krx s PRO 467 N -2.18 4.41 0.69 -1.71 0.04 -1.26 -5.02 135.00 129.97 3krx s PRO 467 Ca 0.56 1.92 -0.15 0.00 0.04 0.00 0.00 61.00 63.36 3krx s PRO 467 Cb -0.38 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 30.91 3krx s PRO 467 CO 0.49 -0.25 1.15 -2.14 0.04 0.00 0.00 177.00 176.28 3krx s PRO 468 N 0.53 2.54 0.10 0.56 0.02 -1.26 -4.98 135.00 132.51 3krx s PRO 468 Ca 0.58 1.55 -0.06 0.00 0.02 0.00 0.00 61.00 63.09 3krx s PRO 468 Cb -0.33 -1.90 -0.17 0.00 0.02 0.00 0.00 34.50 32.11 3krx s PRO 468 CO 0.33 -1.48 1.23 -1.00 -0.33 0.00 0.00 177.00 175.75 3krx h PRO 469 N -0.07 0.40 -6.32 5.54 0.13 -1.91 -3.46 132.00 126.30 3krx h PRO 469 Ca -0.47 -0.50 -0.68 0.00 -0.87 0.00 0.00 66.00 63.48 3krx h PRO 469 Cb 1.27 0.16 -0.30 0.00 0.13 0.00 0.00 31.00 32.25 3krx h PRO 469 CO 0.52 1.17 -0.88 -1.17 -0.23 0.00 0.00 178.00 177.41 3krx s LEU 470 N -7.58 2.05 -0.25 1.56 0.20 -1.26 -5.11 118.68 108.29 3krx s LEU 470 Ca -0.06 -0.47 0.01 0.00 0.69 0.00 0.00 54.13 54.30 3krx s LEU 470 Cb 0.08 -1.32 0.07 0.00 -0.43 0.00 0.00 46.19 44.59 3krx s LEU 470 CO 0.88 0.28 -0.01 -0.63 -0.29 0.00 0.00 176.35 176.58 3krx s ILE 471 N -0.43 1.43 0.42 6.68 1.01 -1.26 -4.35 121.20 124.69 3krx s ILE 471 Ca 0.05 -1.32 -0.24 0.00 0.00 0.00 0.00 60.65 59.14 3krx s ILE 471 Cb -0.11 -1.81 -0.11 0.00 0.01 0.00 0.00 42.46 40.44 3krx s ILE 471 CO 0.01 -0.25 0.94 -2.65 0.00 0.00 0.00 174.94 172.99 3krx n PRO 472 N 4.68 1.22 -1.55 2.79 -0.02 -1.26 -4.98 135.00 135.88 3krx n PRO 472 Ca -0.08 0.44 -0.30 0.00 -2.02 0.00 0.00 63.50 61.54 3krx n PRO 472 Cb 0.44 -1.96 0.09 0.00 -0.02 0.00 0.00 33.50 32.05 3krx n PRO 472 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3krx s PRO 473 N -1.94 2.11 -0.39 0.52 0.04 -1.26 -5.05 135.00 129.02 3krx s PRO 473 Ca 0.63 0.65 -0.10 0.00 0.04 0.00 0.00 61.00 62.22 3krx s PRO 473 Cb -0.57 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.09 3krx s PRO 473 CO 0.57 -1.61 0.22 1.03 0.04 0.00 0.00 177.00 177.25 3krx s ARG 474 N -5.15 2.74 0.00 4.56 0.52 -1.26 -5.08 118.95 115.28 3krx s ARG 474 Ca 0.61 -1.21 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 3krx s ARG 474 Cb -0.14 -3.73 0.00 0.00 0.52 0.00 0.00 34.95 31.59 3krx s ARG 474 CO 0.54 -0.78 0.00 -1.91 0.02 0.00 0.00 175.30 173.17 3krx n GLU 490 N 4.96 0.00 -1.30 3.54 2.13 -1.26 -5.34 120.64 123.38 3krx n GLU 490 Ca -0.11 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.32 3krx n GLU 490 Cb 0.45 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.13 3krx n GLU 490 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3krx n GLU 491 N -1.97 3.64 -0.08 5.31 1.02 -1.26 -4.14 120.64 123.17 3krx n GLU 491 Ca 0.00 -2.18 -0.08 0.00 -0.02 0.00 0.00 57.16 54.88 3krx n GLU 491 Cb 0.00 -2.80 -0.12 0.00 -0.02 0.00 0.00 31.44 28.50 3krx n GLU 491 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3krx n ASP 492 N 3.64 1.26 -2.14 1.62 8.00 -1.26 -4.58 116.55 123.09 3krx n ASP 492 Ca 0.77 -0.00 -0.26 0.00 0.71 0.00 0.00 54.79 56.02 3krx n ASP 492 Cb 0.23 0.84 0.11 0.00 -0.02 0.00 0.00 41.12 42.28 3krx n ASP 492 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3krx n THR 493 N -2.58 3.17 1.31 -3.53 -2.24 -1.26 -4.38 114.28 104.77 3krx n THR 493 Ca -0.25 -2.14 0.13 0.00 -2.27 0.00 0.00 64.05 59.52 3krx n THR 493 Cb 1.00 -0.89 0.38 0.00 -2.10 0.00 0.00 70.33 68.71 3krx n THR 493 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3krx n LYS 494 N -0.74 1.90 -0.93 -0.78 5.02 -1.26 -3.76 118.16 117.60 3krx n LYS 494 Ca 0.53 -1.31 -0.10 0.00 -2.02 0.00 0.00 58.31 55.42 3krx n LYS 494 Cb 1.06 -1.47 0.20 0.00 -0.02 0.00 0.00 35.03 34.80 3krx n LYS 494 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3krx n GLY 495 N 1.24 4.65 2.85 0.72 0.00 -1.26 -4.94 105.19 108.45 3krx n GLY 495 Ca 0.17 -1.16 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 3krx n GLY 495 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3krx s ILE 496 N -3.22 -0.35 0.34 -0.61 1.01 -1.25 -5.16 121.20 111.96 3krx s ILE 496 Ca 0.49 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 61.22 3krx s ILE 496 Cb 0.43 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 42.32 3krx s ILE 496 CO 0.04 -0.04 0.57 -0.54 0.00 0.00 0.00 174.94 174.98 3krx s LYS 497 N 2.35 3.53 -0.57 2.79 3.01 -1.26 -4.99 119.74 124.60 3krx s LYS 497 Ca 0.05 -0.19 -0.14 0.00 -1.01 0.00 0.00 55.97 54.68 3krx s LYS 497 Cb -0.14 -2.63 0.14 0.00 -1.01 0.00 0.00 37.83 34.19 3krx s LYS 497 CO -0.10 0.14 0.51 -0.51 0.51 0.00 0.00 175.35 175.90 3krx s LEU 498 N -4.12 6.18 0.65 3.17 1.43 -1.26 -5.07 118.68 119.66 3krx s LEU 498 Ca 0.42 -1.95 -0.13 0.00 -1.03 0.00 0.00 54.13 51.44 3krx s LEU 498 Cb -0.10 -2.17 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 3krx s LEU 498 CO 0.35 -0.79 1.06 -0.76 0.23 0.00 0.00 176.35 176.44 3krx s LEU 499 N 1.34 3.29 0.00 1.79 1.43 -1.26 -4.95 118.68 120.32 3krx s LEU 499 Ca 0.06 1.69 0.31 0.00 -1.03 0.00 0.00 54.13 55.16 3krx s LEU 499 Cb -0.27 -4.51 1.70 0.00 0.03 0.00 0.00 46.19 43.14 3krx s LEU 499 CO 0.01 -1.31 2.13 -0.90 0.23 0.00 0.00 176.35 176.51 3krx n ASP 500 N -2.66 0.08 0.09 2.29 5.75 -1.26 -2.60 116.55 118.24 3krx n ASP 500 Ca 0.08 -0.68 -0.20 0.00 -0.01 0.00 0.00 54.79 53.98 3krx n ASP 500 Cb 0.53 -0.11 -0.15 0.00 -1.03 0.00 0.00 41.12 40.37 3krx n ASP 500 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3krx h SER 501 N 0.11 0.56 0.38 -1.12 4.64 -2.02 -3.35 113.55 112.75 3krx h SER 501 Ca 0.00 -0.71 -0.12 0.00 -0.47 0.00 0.00 61.79 60.48 3krx h SER 501 Cb 0.14 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3krx h SER 501 CO 0.00 1.58 -0.53 0.44 -0.87 0.00 0.00 176.83 177.45 3krx h ASP 502 N 0.10 0.18 0.42 4.97 3.45 -1.88 -3.12 116.42 120.54 3krx h ASP 502 Ca -0.25 -0.09 -0.05 0.00 0.43 0.00 0.00 57.03 57.06 3krx h ASP 502 Cb 2.07 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 40.78 3krx h ASP 502 CO 0.20 0.68 -0.24 1.56 -1.57 0.00 0.00 179.24 179.87 3krx h GLN 503 N 0.13 0.00 0.00 3.56 1.08 -1.65 -2.91 115.11 115.32 3krx h GLN 503 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3krx h GLN 503 Cb 0.98 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.40 3krx h GLN 503 CO 0.08 0.24 -0.10 0.93 -0.95 0.00 0.00 178.83 179.02 3krx h GLU 504 N 0.00 0.00 0.00 1.46 4.39 -1.67 -2.79 114.58 115.97 3krx h GLU 504 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3krx h GLU 504 Cb 0.51 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3krx h GLU 504 CO 0.03 0.10 -0.14 1.25 -1.16 0.00 0.00 179.01 179.10 3krx h LEU 505 N 0.00 0.00 -3.52 1.33 5.85 -1.65 -1.87 115.31 115.45 3krx h LEU 505 Ca -0.00 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 3krx h LEU 505 Cb 0.66 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.61 3krx h LEU 505 CO 0.01 0.14 0.12 -1.22 -0.34 0.00 0.00 178.44 177.15 3krx n TYR 506 N -3.50 1.75 -0.32 1.25 4.01 -1.05 -4.75 117.16 114.55 3krx n TYR 506 Ca -0.01 -1.14 -0.04 0.00 -0.16 0.00 0.00 57.90 56.55 3krx n TYR 506 Cb 0.29 -0.53 0.08 0.00 -0.31 0.00 0.00 39.34 38.87 3krx n TYR 506 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3krx h ARG 507 N 2.22 1.18 -0.85 -0.72 2.43 -1.35 -2.32 114.38 114.96 3krx h ARG 507 Ca 0.16 -0.10 -0.55 0.00 -0.81 0.00 0.00 59.98 58.69 3krx h ARG 507 Cb 1.93 -0.25 -0.29 0.00 -0.42 0.00 0.00 29.97 30.94 3krx h ARG 507 CO 0.51 0.81 0.37 0.09 -1.51 0.00 0.00 179.97 180.25 3krx n ASN 508 N -4.43 5.58 0.14 -3.80 3.02 -1.26 -4.70 115.26 109.80 3krx n ASN 508 Ca 0.09 -3.75 -0.12 0.00 -0.03 0.00 0.00 54.58 50.78 3krx n ASN 508 Cb 0.05 -0.78 -0.07 0.00 -0.61 0.00 0.00 39.78 38.36 3krx n ASN 508 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3krx h PHE 509 N 1.67 -0.37 -3.99 3.10 3.57 -1.75 -3.46 116.94 115.70 3krx h PHE 509 Ca 0.51 -0.01 -0.54 0.00 3.53 0.00 0.00 57.97 61.46 3krx h PHE 509 Cb 1.49 0.12 0.12 0.00 2.79 0.00 0.00 35.95 40.48 3krx h PHE 509 CO 1.30 -0.02 0.69 -1.25 -2.23 0.00 0.00 178.31 176.81 3krx s PRO 510 N -3.98 3.66 0.08 6.41 0.04 -1.26 -4.83 135.00 135.12 3krx s PRO 510 Ca -0.13 2.39 -0.17 0.00 0.04 0.00 0.00 61.00 63.13 3krx s PRO 510 Cb 0.01 -2.63 0.04 0.00 0.04 0.00 0.00 34.50 31.96 3krx s PRO 510 CO 0.46 -0.83 0.41 -1.17 0.04 0.00 0.00 177.00 175.91 3krx s LEU 511 N -2.77 0.39 -0.13 -3.56 2.96 -0.28 -4.97 118.68 110.32 3krx s LEU 511 Ca 0.62 -0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 54.37 3krx s LEU 511 Cb -0.43 1.79 0.06 0.00 0.50 0.00 0.00 46.19 48.11 3krx s LEU 511 CO 0.55 -0.74 0.18 -0.89 -1.32 0.00 0.00 176.35 174.13 3krx s THR 512 N -3.00 -0.27 -0.06 3.68 2.01 -1.26 -0.85 115.64 115.88 3krx s THR 512 Ca -0.02 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 3krx s THR 512 Cb 0.00 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 72.03 3krx s THR 512 CO -0.06 -0.01 1.23 -0.63 -0.69 0.00 0.00 174.62 174.45 3krx s ILE 513 N 2.29 4.21 0.04 1.82 -1.09 -0.78 -4.95 121.20 122.75 3krx s ILE 513 Ca 0.04 1.53 -0.29 0.00 -2.23 0.00 0.00 60.65 59.70 3krx s ILE 513 Cb -0.14 -3.99 -0.17 0.00 -1.58 0.00 0.00 42.46 36.58 3krx s ILE 513 CO -0.08 -0.02 1.40 -1.28 -1.23 0.00 0.00 174.94 173.73 3krx h SER 514 N 7.59 -0.64 0.46 3.58 0.87 -1.99 -1.32 113.55 122.11 3krx h SER 514 Ca -0.33 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.15 3krx h SER 514 Cb 1.16 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 3krx h SER 514 CO 0.89 -0.35 -0.19 1.05 -0.53 0.00 0.00 176.83 177.71 3krx h GLU 515 N -0.92 0.00 0.36 2.24 4.11 -1.98 -0.91 114.58 117.47 3krx h GLU 515 Ca -0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.33 3krx h GLU 515 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3krx h GLU 515 CO 0.13 0.19 -0.17 0.00 0.07 0.00 0.00 179.01 179.22 3krx h ARG 516 N 0.00 -0.46 -0.90 1.06 2.47 -1.86 0.14 114.38 114.82 3krx h ARG 516 Ca -0.00 0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.79 3krx h ARG 516 Cb 0.47 0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.84 3krx h ARG 516 CO 0.02 -0.17 0.58 2.35 0.56 0.00 0.00 179.97 183.32 3krx h TRP 517 N -0.76 1.08 -0.41 3.04 7.01 -1.04 -0.83 115.95 124.04 3krx h TRP 517 Ca -0.05 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.89 3krx h TRP 517 Cb 0.51 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 3krx h TRP 517 CO 0.01 0.60 -0.11 1.96 -2.79 0.00 0.00 178.44 178.11 3krx h GLN 518 N 1.10 0.73 -0.26 2.65 4.20 -1.10 -1.63 115.11 120.79 3krx h GLN 518 Ca 0.37 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 3krx h GLN 518 Cb 0.05 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3krx h GLN 518 CO -0.14 0.81 -0.15 0.37 -0.67 0.00 0.00 178.83 179.06 3krx h GLN 519 N 0.66 0.56 -0.03 1.46 5.75 -0.35 -1.00 115.11 122.16 3krx h GLN 519 Ca 0.11 -0.26 0.03 0.00 -0.15 0.00 0.00 58.65 58.39 3krx h GLN 519 Cb 0.57 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.05 3krx h GLN 519 CO 0.04 0.83 -0.48 1.49 -2.65 0.00 0.00 178.83 178.05 3krx h GLU 520 N 0.28 -0.59 -0.82 1.69 4.81 -0.91 -1.22 114.58 117.82 3krx h GLU 520 Ca 0.05 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 3krx h GLU 520 Cb 0.67 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.13 3krx h GLU 520 CO 0.04 -0.39 0.51 0.28 -0.73 0.00 0.00 179.01 178.72 3krx h VAL 521 N -0.61 1.05 -0.24 0.32 2.07 -1.32 -2.92 116.25 114.61 3krx h VAL 521 Ca 0.04 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3krx h VAL 521 Cb 0.69 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3krx h VAL 521 CO -0.36 0.17 0.09 0.00 0.02 0.00 0.00 177.57 177.49 3krx h ALA 522 N 1.38 0.27 -0.10 1.67 0.00 -0.46 -1.25 119.26 120.78 3krx h ALA 522 Ca 0.35 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3krx h ALA 522 Cb 0.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3krx h ALA 522 CO -0.16 -0.33 0.00 -0.85 0.00 0.00 0.00 179.25 177.91 3krx n GLU 523 N -5.03 1.36 0.00 0.00 0.28 -0.53 -4.46 120.64 112.26 3krx n GLU 523 Ca -0.02 -0.55 0.00 0.00 -0.16 0.00 0.00 57.16 56.43 3krx n GLU 523 Cb 0.08 -1.30 0.00 0.00 1.43 0.00 0.00 31.44 31.65 3krx n GLU 523 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3krx n THR 524 N -0.20 0.00 1.12 3.84 -2.24 -0.99 -5.01 114.28 110.81 3krx n THR 524 Ca 0.13 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 3krx n THR 524 Cb 0.18 -0.02 0.18 0.00 -2.10 0.00 0.00 70.33 68.58 3krx n THR 524 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3krx n VAL 525 N -0.07 0.00 -0.16 2.28 0.24 -0.96 -4.50 118.33 115.16 3krx n VAL 525 Ca 0.00 -0.35 -0.10 0.00 -2.04 0.00 0.00 64.34 61.86 3krx n VAL 525 Cb 0.00 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 3krx n VAL 525 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3krx h PHE 526 N 3.26 0.85 -0.20 6.34 3.57 -1.46 -1.57 116.94 127.73 3krx h PHE 526 Ca 0.00 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 3krx h PHE 526 Cb 0.79 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 3krx h PHE 526 CO 0.00 0.80 0.05 -0.44 -2.23 0.00 0.00 178.31 176.49 3krx h ASP 527 N 0.66 0.30 0.65 0.41 5.19 -1.83 -2.97 116.42 118.83 3krx h ASP 527 Ca 0.14 -0.23 -0.18 0.00 -0.62 0.00 0.00 57.03 56.14 3krx h ASP 527 Cb 0.42 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 3krx h ASP 527 CO 0.01 0.45 -0.84 0.71 -3.12 0.00 0.00 179.24 176.46 3krx h THR 528 N 0.14 1.52 -0.11 0.35 1.35 -1.83 -3.23 112.91 111.09 3krx h THR 528 Ca 0.06 -2.63 -0.21 0.00 -0.55 0.00 0.00 66.41 63.07 3krx h THR 528 Cb 0.27 2.45 0.01 0.00 -1.73 0.00 0.00 68.15 69.14 3krx h THR 528 CO 0.00 0.76 -0.79 0.40 -0.25 0.00 0.00 175.52 175.64 3krx h ILE 529 N 0.07 1.32 -0.67 6.82 2.04 -1.35 -2.76 117.51 122.98 3krx h ILE 529 Ca -0.03 -2.07 0.08 0.00 1.00 0.00 0.00 64.86 63.84 3krx h ILE 529 Cb 1.45 2.07 -0.07 0.00 -0.74 0.00 0.00 36.82 39.54 3krx h ILE 529 CO 0.12 0.64 0.33 0.78 0.00 0.00 0.00 178.15 180.02 3krx h ASN 530 N 0.43 0.43 -0.66 1.72 2.35 -1.58 -0.95 115.58 117.33 3krx h ASN 530 Ca -0.05 0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 3krx h ASN 530 Cb 1.40 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.72 3krx h ASN 530 CO 0.15 0.26 0.20 0.00 -1.65 0.00 0.00 177.43 176.39 3krx h ALA 531 N 1.40 1.07 -0.22 -0.83 0.00 -1.56 0.21 119.26 119.33 3krx h ALA 531 Ca 0.32 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3krx h ALA 531 Cb 0.31 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3krx h ALA 531 CO -0.25 0.63 -0.18 1.49 0.00 0.00 0.00 179.25 180.94 3krx h GLU 532 N 1.01 0.51 0.00 0.00 4.81 -1.14 -1.61 114.58 118.16 3krx h GLU 532 Ca 0.22 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3krx h GLU 532 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3krx h GLU 532 CO -0.01 0.83 0.00 1.79 -0.73 0.00 0.00 179.01 180.89 3krx h THR 533 N 0.19 0.00 -0.31 0.32 1.35 -1.15 -2.32 112.91 111.00 3krx h THR 533 Ca 0.04 -0.73 -0.07 0.00 -0.55 0.00 0.00 66.41 65.09 3krx h THR 533 Cb 0.72 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 3krx h THR 533 CO 0.05 0.00 -0.09 0.44 -0.25 0.00 0.00 175.52 175.67 3krx h ASP 534 N 0.00 0.61 -0.48 5.36 3.32 -0.80 -2.45 116.42 121.97 3krx h ASP 534 Ca 0.00 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 3krx h ASP 534 Cb 0.76 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3krx h ASP 534 CO 0.00 0.85 0.28 0.03 -1.72 0.00 0.00 179.24 178.68 3krx h ARG 535 N 0.37 0.67 0.01 3.56 3.08 -0.96 -1.90 114.38 119.21 3krx h ARG 535 Ca 0.08 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3krx h ARG 535 Cb 0.59 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 3krx h ARG 535 CO 0.03 0.51 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.35 3krx h LEU 536 N 0.64 -0.05 -1.58 3.04 3.38 -1.47 0.47 115.31 119.74 3krx h LEU 536 Ca 0.17 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3krx h LEU 536 Cb 0.02 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3krx h LEU 536 CO -0.03 -0.03 -0.08 -0.33 0.09 0.00 0.00 178.44 178.06 3krx h GLU 537 N -0.04 0.00 0.06 1.13 5.08 -1.32 0.24 114.58 119.74 3krx h GLU 537 Ca 0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 3krx h GLU 537 Cb 0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3krx h GLU 537 CO -0.02 0.08 -1.47 0.00 -1.00 0.00 0.00 179.01 176.60 3krx h ALA 538 N 1.92 0.42 -0.34 3.43 0.00 -1.20 -3.21 119.26 120.28 3krx h ALA 538 Ca -0.00 -1.16 -0.16 0.00 0.00 0.00 0.00 54.91 53.59 3krx h ALA 538 Cb 0.50 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3krx h ALA 538 CO 0.01 1.28 -0.40 0.00 0.00 0.00 0.00 179.25 180.14 3krx h ARG 539 N 0.04 0.88 -0.36 0.00 3.08 0.07 -0.87 114.38 117.21 3krx h ARG 539 Ca -0.21 -0.48 -0.10 0.00 0.07 0.00 0.00 59.98 59.26 3krx h ARG 539 Cb 1.96 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 32.02 3krx h ARG 539 CO 0.13 1.13 -0.17 -0.22 -1.07 0.00 0.00 179.97 179.77 3krx h LYS 540 N 0.67 0.66 -0.30 0.04 3.64 -0.73 0.86 116.57 121.42 3krx h LYS 540 Ca 0.05 -0.23 -0.11 0.00 -1.27 0.00 0.00 60.65 59.08 3krx h LYS 540 Cb 1.00 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 3krx h LYS 540 CO 0.10 0.80 -0.25 -0.22 -2.27 0.00 0.00 179.45 177.61 3krx h LYS 541 N 0.60 0.69 -0.50 1.90 3.64 -1.54 -0.62 116.57 120.73 3krx h LYS 541 Ca 0.10 -0.35 -0.05 0.00 -1.27 0.00 0.00 60.65 59.07 3krx h LYS 541 Cb 0.63 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3krx h LYS 541 CO 0.04 0.96 0.10 0.00 -2.27 0.00 0.00 179.45 178.28 3krx h ALA 542 N 0.72 1.23 -0.33 5.00 0.00 -1.00 -0.45 119.26 124.44 3krx h ALA 542 Ca 0.05 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3krx h ALA 542 Cb 0.81 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3krx h ALA 542 CO 0.06 0.53 -0.09 -0.22 0.00 0.00 0.00 179.25 179.53 3krx h LYS 543 N 0.74 0.65 0.00 0.00 3.64 -0.75 -2.95 116.57 117.90 3krx h LYS 543 Ca 0.16 -0.25 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 3krx h LYS 543 Cb 0.31 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3krx h LYS 543 CO 0.00 0.83 -0.32 -0.91 -2.27 0.00 0.00 179.45 176.78 3krx h ASN 544 N 0.43 0.00 -0.13 4.20 2.35 -0.85 -2.39 115.58 119.19 3krx h ASN 544 Ca 0.08 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.69 3krx h ASN 544 Cb 0.59 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3krx h ASN 544 CO 0.03 0.32 -0.41 0.50 -1.65 0.00 0.00 177.43 176.23 3krx h LYS 545 N 0.00 0.67 0.00 0.81 3.64 -1.03 0.12 116.57 120.78 3krx h LYS 545 Ca -0.00 -0.35 -0.09 0.00 -1.27 0.00 0.00 60.65 58.94 3krx h LYS 545 Cb 0.64 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 3krx h LYS 545 CO 0.04 0.96 -0.43 0.37 -2.27 0.00 0.00 179.45 178.12 3krx h GLN 546 N 0.55 0.00 -0.03 1.90 4.15 -1.33 -2.74 115.11 117.61 3krx h GLN 546 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 3krx h GLN 546 Cb 0.94 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.63 3krx h GLN 546 CO 0.09 0.43 0.00 -0.11 -1.93 0.00 0.00 178.83 177.30 3krx n LEU 547 N -3.99 0.44 -2.39 -2.39 7.94 -0.92 -4.93 117.00 110.76 3krx n LEU 547 Ca -0.02 -0.17 -0.02 0.00 -1.11 0.00 0.00 56.01 54.70 3krx n LEU 547 Cb 0.46 -0.02 0.01 0.00 0.53 0.00 0.00 43.42 44.40 3krx n LEU 547 CO 0.39 0.08 0.15 0.61 -1.11 0.00 0.00 177.39 177.52 3krx n GLY 548 N 0.96 -0.67 3.70 -3.96 0.00 -0.95 -4.85 105.19 99.42 3krx n GLY 548 Ca 0.18 0.18 -0.58 0.00 0.00 0.00 0.00 46.02 45.80 3krx n GLY 548 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3krx n HIS 549 N -1.68 2.02 -2.86 1.61 1.44 0.37 -4.94 115.22 111.18 3krx n HIS 549 Ca -0.01 0.55 -0.41 0.00 -2.01 0.00 0.00 57.72 55.84 3krx n HIS 549 Cb 0.52 -2.45 -0.04 0.00 0.12 0.00 0.00 29.99 28.14 3krx n HIS 549 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3krx s GLU 550 N 3.69 4.42 0.99 -1.40 2.02 -1.26 -5.04 118.70 122.13 3krx s GLU 550 Ca 1.00 1.13 -0.12 0.00 0.02 0.00 0.00 54.97 57.00 3krx s GLU 550 Cb -1.09 -3.50 0.18 0.00 0.10 0.00 0.00 34.13 29.82 3krx s GLU 550 CO 0.66 -0.14 1.08 -1.21 0.02 0.00 0.00 175.26 175.67 3krx s GLU 551 N 1.45 0.48 0.25 1.61 2.02 -1.26 -4.89 118.70 118.36 3krx s GLU 551 Ca 0.43 0.73 -0.31 0.00 0.02 0.00 0.00 54.97 55.84 3krx s GLU 551 Cb -0.18 -1.73 -0.13 0.00 0.10 0.00 0.00 34.13 32.19 3krx s GLU 551 CO 0.19 -2.75 1.43 -0.25 0.02 0.00 0.00 175.26 173.90 3krx n ASP 552 N -4.22 2.92 0.26 -0.19 9.92 -1.26 -4.87 116.55 119.11 3krx n ASP 552 Ca 0.06 1.15 0.13 0.00 -0.53 0.00 0.00 54.79 55.60 3krx n ASP 552 Cb 0.56 -1.46 0.68 0.00 -0.64 0.00 0.00 41.12 40.26 3krx n ASP 552 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 3krx h TYR 553 N 4.22 0.00 0.00 1.24 3.20 -2.05 -3.12 116.97 120.47 3krx h TYR 553 Ca -0.45 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.42 3krx h TYR 553 Cb 1.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.54 3krx h TYR 553 CO 0.56 0.12 -0.20 0.00 -1.64 0.00 0.00 178.16 177.00 3krx h ALA 554 N 1.88 0.89 -2.39 1.82 0.00 -2.01 -3.46 119.26 115.99 3krx h ALA 554 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 3krx h ALA 554 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3krx h ALA 554 CO 0.02 0.00 0.28 -0.51 0.00 0.00 0.00 179.25 179.04 3krx s LEU 555 N -5.80 4.26 0.00 0.00 1.43 -1.18 -3.95 118.68 113.43 3krx s LEU 555 Ca 0.06 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 3krx s LEU 555 Cb 0.07 -4.02 0.00 0.00 0.03 0.00 0.00 46.19 42.27 3krx s LEU 555 CO 0.69 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.77 3krx n GLY 556 N 0.33 0.95 0.00 -3.19 0.00 -1.26 -4.99 105.19 97.03 3krx n GLY 556 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3krx n GLY 556 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3krx n LYS 557 N -2.00 3.94 -2.18 1.61 5.02 -1.25 -5.06 118.16 118.24 3krx n LYS 557 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 3krx n LYS 557 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 3krx n LYS 557 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3krx n ASP 558 N 0.00 4.92 -4.74 4.39 3.85 -1.26 -5.06 116.55 118.64 3krx n ASP 558 Ca 0.00 -3.74 -0.42 0.00 -0.71 0.00 0.00 54.79 49.92 3krx n ASP 558 Cb 0.00 -0.40 -0.02 0.00 -1.35 0.00 0.00 41.12 39.34 3krx n ASP 558 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3krx h ILE 560 N 3.65 0.00 -3.23 0.00 2.04 -1.01 -3.49 117.51 115.47 3krx h ILE 560 Ca -0.45 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 64.85 3krx h ILE 560 Cb 1.21 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 3krx h ILE 560 CO 0.82 0.00 0.09 0.00 0.00 0.00 0.00 178.15 179.06 3krx s MET 561 N -2.07 1.55 -0.09 2.37 0.23 -1.21 -5.04 119.30 115.04 3krx s MET 561 Ca -0.03 -0.95 -0.18 0.00 -1.03 0.00 0.00 55.69 53.51 3krx s MET 561 Cb 0.00 0.55 0.04 0.00 -1.53 0.00 0.00 34.83 33.89 3krx s MET 561 CO 0.08 -0.68 0.43 -3.38 -2.03 0.00 0.00 175.02 169.44 3krx s HIS 562 N -3.91 -0.40 -0.77 3.16 -3.43 -1.26 -1.45 115.29 107.24 3krx s HIS 562 Ca 0.11 0.82 0.00 0.00 -0.80 0.00 0.00 55.06 55.20 3krx s HIS 562 Cb -0.03 0.18 0.00 0.00 -1.43 0.00 0.00 32.58 31.30 3krx s HIS 562 CO 0.02 -0.36 0.00 0.41 -2.00 0.00 0.00 174.74 172.81 3krx n GLY 563 N 1.92 -1.37 3.83 -1.38 0.00 -1.07 -4.44 105.19 102.68 3krx n GLY 563 Ca -0.17 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 3krx n GLY 563 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3krx s TYR 564 N -2.00 3.23 0.07 1.61 2.02 -1.26 -0.77 117.35 120.25 3krx s TYR 564 Ca 0.00 1.43 -0.27 0.00 -0.37 0.00 0.00 57.07 57.86 3krx s TYR 564 Cb 0.00 -2.87 0.09 0.00 -0.40 0.00 0.00 41.96 38.78 3krx s TYR 564 CO 0.00 -0.94 1.12 -1.64 -1.57 0.00 0.00 175.55 172.51 3krx s MET 565 N -4.63 0.82 -0.08 -0.62 -1.94 -0.88 -4.78 119.30 107.19 3krx s MET 565 Ca 0.59 -0.46 0.04 0.00 -1.71 0.00 0.00 55.69 54.15 3krx s MET 565 Cb -0.13 0.28 0.00 0.00 2.01 0.00 0.00 34.83 36.99 3krx s MET 565 CO 0.46 -0.38 -0.21 -1.12 -0.01 0.00 0.00 175.02 173.76 3krx s SER 566 N -2.98 2.72 0.40 3.03 0.01 -1.06 -0.86 113.70 114.96 3krx s SER 566 Ca 0.14 -0.48 0.08 0.00 1.31 0.00 0.00 55.95 56.99 3krx s SER 566 Cb 0.02 -1.14 -0.01 0.00 0.21 0.00 0.00 66.02 65.09 3krx s SER 566 CO -0.01 0.14 0.45 -1.59 0.41 0.00 0.00 173.24 172.65 3krx s LYS 567 N 0.32 2.72 -0.00 12.44 -2.85 0.14 -2.43 119.74 130.07 3krx s LYS 567 Ca -0.15 -1.35 -0.20 0.00 -1.00 0.00 0.00 55.97 53.27 3krx s LYS 567 Cb -0.16 -2.58 0.04 0.00 -2.06 0.00 0.00 37.83 33.07 3krx s LYS 567 CO 0.07 -0.17 0.45 1.41 0.10 0.00 0.00 175.35 177.21 3krx s MET 568 N -4.20 0.86 0.12 1.78 1.75 -1.25 -0.77 119.30 117.58 3krx s MET 568 Ca 0.50 -0.14 0.03 0.00 -1.25 0.00 0.00 55.69 54.83 3krx s MET 568 Cb -0.07 0.39 -0.04 0.00 2.84 0.00 0.00 34.83 37.96 3krx s MET 568 CO 0.30 -0.27 0.16 -1.58 -0.65 0.00 0.00 175.02 172.98 3krx s TRP 576 N -1.71 3.29 -0.14 4.11 0.52 -1.26 -5.01 118.94 118.73 3krx s TRP 576 Ca -0.10 0.09 -0.04 0.00 0.02 0.00 0.00 56.10 56.06 3krx s TRP 576 Cb -0.02 -1.62 0.06 0.00 -1.15 0.00 0.00 33.47 30.73 3krx s TRP 576 CO 0.03 0.53 0.10 -0.65 0.02 0.00 0.00 176.95 176.98 3krx s GLN 577 N -2.79 0.04 0.06 4.98 -0.21 0.05 -5.13 119.66 116.65 3krx s GLN 577 Ca 0.32 0.08 -0.30 0.00 0.02 0.00 0.00 55.36 55.47 3krx s GLN 577 Cb -0.11 -1.40 -0.05 0.00 1.00 0.00 0.00 33.01 32.44 3krx s GLN 577 CO 0.25 -0.57 1.13 0.50 -2.12 0.00 0.00 175.29 174.48 3krx s ARG 578 N 2.17 4.48 0.03 2.91 3.52 -1.26 0.23 118.95 131.03 3krx s ARG 578 Ca 0.03 1.68 -0.11 0.00 -0.13 0.00 0.00 55.73 57.20 3krx s ARG 578 Cb -0.15 -3.37 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 3krx s ARG 578 CO -0.08 -0.18 0.23 1.03 -0.81 0.00 0.00 175.30 175.49 3krx s ARG 579 N 0.93 0.69 -0.24 5.12 1.81 -0.04 -4.90 118.95 122.32 3krx s ARG 579 Ca 0.56 -0.53 -0.15 0.00 -1.72 0.00 0.00 55.73 53.89 3krx s ARG 579 Cb -0.27 0.29 -0.04 0.00 -0.45 0.00 0.00 34.95 34.48 3krx s ARG 579 CO 0.29 -0.20 0.37 -0.47 -0.68 0.00 0.00 175.30 174.61 3krx s TYR 580 N -2.30 3.31 0.19 -0.53 6.14 -0.88 -2.07 117.35 121.21 3krx s TYR 580 Ca -0.07 0.49 0.01 0.00 0.64 0.00 0.00 57.07 58.14 3krx s TYR 580 Cb -0.02 -2.53 -0.04 0.00 0.42 0.00 0.00 41.96 39.79 3krx s TYR 580 CO -0.02 -0.11 0.35 -0.06 0.64 0.00 0.00 175.55 176.35 3krx s PHE 581 N 1.65 3.48 -0.07 4.97 0.08 0.05 -1.83 117.98 126.30 3krx s PHE 581 Ca 0.16 0.20 -0.01 0.00 0.12 0.00 0.00 56.93 57.40 3krx s PHE 581 Cb -0.15 -1.74 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 3krx s PHE 581 CO 0.08 0.43 -0.00 0.71 -0.10 0.00 0.00 175.22 176.34 3krx s TYR 582 N -1.85 0.70 -0.29 0.36 1.51 -0.98 -2.60 117.35 114.20 3krx s TYR 582 Ca 0.36 -0.19 -0.19 0.00 -1.01 0.00 0.00 57.07 56.04 3krx s TYR 582 Cb -0.11 -0.82 -0.02 0.00 -0.11 0.00 0.00 41.96 40.91 3krx s TYR 582 CO 0.29 -0.33 0.58 -1.17 -1.11 0.00 0.00 175.55 173.81 3krx s LEU 583 N 1.95 4.12 0.39 -1.29 2.96 -0.53 -0.89 118.68 125.40 3krx s LEU 583 Ca 0.05 0.46 0.08 0.00 -0.22 0.00 0.00 54.13 54.49 3krx s LEU 583 Cb -0.12 -2.75 -0.02 0.00 0.50 0.00 0.00 46.19 43.80 3krx s LEU 583 CO -0.05 -0.40 0.38 -0.36 -1.32 0.00 0.00 176.35 174.59 3krx s PHE 584 N 2.48 2.78 0.51 5.38 0.40 0.47 -0.34 117.98 129.66 3krx s PHE 584 Ca 0.23 -0.42 0.24 0.00 -0.60 0.00 0.00 56.93 56.38 3krx s PHE 584 Cb -0.15 -2.09 1.49 0.00 0.51 0.00 0.00 43.02 42.78 3krx s PHE 584 CO 0.11 -0.07 2.14 -1.35 0.70 0.00 0.00 175.22 176.75 3krx h PRO 585 N 1.04 0.00 -0.02 0.24 0.11 -1.96 -3.07 132.00 128.34 3krx h PRO 585 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3krx h PRO 585 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3krx h PRO 585 CO 0.56 0.07 0.00 0.27 -0.21 0.00 0.00 178.00 178.69 3krx n ASN 586 N -3.99 1.41 -3.82 -2.05 6.94 -1.26 -4.61 115.26 107.87 3krx n ASN 586 Ca -0.03 -1.29 -0.07 0.00 -0.02 0.00 0.00 54.58 53.18 3krx n ASN 586 Cb 0.15 -0.01 -0.02 0.00 -2.36 0.00 0.00 39.78 37.55 3krx n ASN 586 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3krx s ARG 587 N -0.36 1.66 -0.35 -3.83 1.70 -1.16 -1.35 118.95 115.26 3krx s ARG 587 Ca 0.03 -0.91 -0.01 0.00 -0.47 0.00 0.00 55.73 54.38 3krx s ARG 587 Cb 0.02 0.57 0.12 0.00 -0.57 0.00 0.00 34.95 35.10 3krx s ARG 587 CO 0.03 -0.76 0.18 -1.17 -1.08 0.00 0.00 175.30 172.50 3krx s LEU 588 N -2.91 1.40 0.85 -1.89 2.96 0.39 -0.39 118.68 119.08 3krx s LEU 588 Ca 0.11 -1.99 -0.12 0.00 -0.22 0.00 0.00 54.13 51.91 3krx s LEU 588 Cb -0.05 -0.58 0.13 0.00 0.50 0.00 0.00 46.19 46.19 3krx s LEU 588 CO 0.05 -0.35 1.20 -1.61 -1.32 0.00 0.00 176.35 174.33 3krx s GLU 589 N 1.25 1.42 0.00 1.98 2.02 -0.07 -2.38 118.70 122.92 3krx s GLU 589 Ca 0.15 -0.25 -0.28 0.00 0.02 0.00 0.00 54.97 54.60 3krx s GLU 589 Cb -0.21 -1.97 0.08 0.00 0.10 0.00 0.00 34.13 32.14 3krx s GLU 589 CO -0.12 -1.88 0.74 1.67 0.02 0.00 0.00 175.26 175.70 3krx s TRP 590 N -3.63 -0.53 0.09 1.61 -2.14 -0.64 -2.31 118.94 111.40 3krx s TRP 590 Ca 0.67 0.67 0.01 0.00 2.66 0.00 0.00 56.10 60.11 3krx s TRP 590 Cb -0.08 0.48 -0.04 0.00 -3.10 0.00 0.00 33.47 30.73 3krx s TRP 590 CO 0.50 -0.63 -0.05 -0.98 -2.66 0.00 0.00 176.95 173.12 3krx s ARG 591 N -2.23 0.80 0.44 3.25 1.70 -0.76 -3.59 118.95 118.56 3krx s ARG 591 Ca -0.04 -1.32 0.03 0.00 -0.47 0.00 0.00 55.73 53.93 3krx s ARG 591 Cb -0.01 -0.12 0.00 0.00 -0.57 0.00 0.00 34.95 34.26 3krx s ARG 591 CO -0.01 -0.04 0.64 0.20 -1.08 0.00 0.00 175.30 175.00 3krx s GLY 592 N -3.02 1.67 -0.82 3.88 0.00 -1.26 -2.07 107.32 105.69 3krx s GLY 592 Ca 0.12 -1.28 -0.25 0.00 0.00 0.00 0.00 44.72 43.31 3krx s GLY 592 CO -0.05 -1.10 1.88 -0.54 0.00 0.00 0.00 173.10 173.29 3krx s GLU 593 N -4.49 2.64 0.00 2.90 0.41 -1.26 -3.37 118.70 115.53 3krx s GLU 593 Ca 0.50 -0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.98 3krx s GLU 593 Cb -0.10 -4.87 0.00 0.00 -1.78 0.00 0.00 34.13 27.38 3krx s GLU 593 CO 0.36 -3.11 0.00 0.41 -0.49 0.00 0.00 175.26 172.43 3krx n GLY 594 N 6.50 0.79 3.72 -1.39 0.00 -1.26 -5.15 105.19 108.40 3krx n GLY 594 Ca 0.33 0.07 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 3krx n GLY 594 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3krx s GLU 595 N 0.00 2.14 0.80 1.61 1.03 -1.22 -5.14 118.70 117.92 3krx s GLU 595 Ca 0.00 -2.08 -0.12 0.00 0.03 0.00 0.00 54.97 52.80 3krx s GLU 595 Cb 0.00 -1.78 0.07 0.00 -0.80 0.00 0.00 34.13 31.62 3krx s GLU 595 CO 0.00 -0.21 1.11 0.00 -1.33 0.00 0.00 175.26 174.84 3krx s ALA 596 N -2.72 2.34 0.06 -0.84 0.00 -1.26 -4.39 121.76 114.94 3krx s ALA 596 Ca 0.30 -0.35 -0.33 0.00 0.00 0.00 0.00 51.96 51.58 3krx s ALA 596 Cb 0.05 -3.06 -0.12 0.00 0.00 0.00 0.00 23.12 19.99 3krx s ALA 596 CO 0.16 -1.71 1.78 -2.30 0.00 0.00 0.00 175.76 173.69 3krx n PRO 597 N -3.40 2.37 -0.14 0.00 -0.02 -1.26 -4.78 135.00 127.77 3krx n PRO 597 Ca 0.07 0.86 0.05 0.00 -2.02 0.00 0.00 63.50 62.47 3krx n PRO 597 Cb 0.58 -2.70 0.12 0.00 -0.02 0.00 0.00 33.50 31.47 3krx n PRO 597 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3krx n GLN 598 N 5.36 2.54 -3.77 -0.52 6.02 -1.24 -4.97 117.38 120.81 3krx n GLN 598 Ca 0.19 -2.14 -0.13 0.00 -0.01 0.00 0.00 57.00 54.91 3krx n GLN 598 Cb 0.32 -1.34 -0.10 0.00 1.02 0.00 0.00 30.24 30.14 3krx n GLN 598 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3krx s SER 599 N -1.62 -0.27 0.32 1.08 0.01 -1.24 -5.08 113.70 106.89 3krx s SER 599 Ca 0.21 0.41 -0.19 0.00 1.31 0.00 0.00 55.95 57.69 3krx s SER 599 Cb 0.16 0.51 0.05 0.00 0.21 0.00 0.00 66.02 66.95 3krx s SER 599 CO 0.06 -0.24 0.80 -1.48 0.41 0.00 0.00 173.24 172.79 3krx s LEU 600 N -0.44 -0.09 -0.08 2.44 0.05 -1.26 -1.61 118.68 117.68 3krx s LEU 600 Ca -0.06 -0.89 -0.03 0.00 0.05 0.00 0.00 54.13 53.20 3krx s LEU 600 Cb -0.04 2.70 0.04 0.00 -2.05 0.00 0.00 46.19 46.85 3krx s LEU 600 CO 0.02 -1.47 0.16 -0.22 -0.55 0.00 0.00 176.35 174.28 3krx s LEU 601 N -3.04 0.16 0.66 1.48 2.96 -1.00 -4.99 118.68 114.90 3krx s LEU 601 Ca 0.14 0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 54.26 3krx s LEU 601 Cb -0.05 0.31 -0.01 0.00 0.50 0.00 0.00 46.19 46.94 3krx s LEU 601 CO 0.09 -0.22 1.05 0.42 -1.32 0.00 0.00 176.35 176.38 3krx s THR 602 N 1.96 4.07 0.16 3.68 -4.23 -1.26 -0.46 115.64 119.56 3krx s THR 602 Ca -0.01 0.74 -0.03 0.00 -1.18 0.00 0.00 61.69 61.22 3krx s THR 602 Cb -0.12 -3.45 -0.13 0.00 1.34 0.00 0.00 72.50 70.14 3krx s THR 602 CO -0.06 -0.81 1.39 0.24 -0.54 0.00 0.00 174.62 174.84 3krx h MET 603 N -0.38 0.44 0.00 3.99 2.86 -1.55 -3.11 114.93 117.18 3krx h MET 603 Ca -0.45 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 56.79 3krx h MET 603 Cb 1.21 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.95 3krx h MET 603 CO 0.58 1.03 -0.12 1.05 1.06 0.00 0.00 176.91 180.50 3krx h GLU 604 N 0.29 0.00 0.00 1.72 4.11 -1.90 -2.19 114.58 116.61 3krx h GLU 604 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 3krx h GLU 604 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 3krx h GLU 604 CO 0.14 0.12 0.00 0.93 0.07 0.00 0.00 179.01 180.26 3krx h GLU 605 N 0.00 0.00 -6.16 1.06 5.08 -1.94 -3.45 114.58 109.17 3krx h GLU 605 Ca -0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3krx h GLU 605 Cb 0.37 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.55 3krx h GLU 605 CO 0.02 0.00 0.72 0.42 -1.00 0.00 0.00 179.01 179.16 3krx s ILE 606 N -3.61 4.58 -0.13 3.13 1.01 -0.83 0.06 121.20 125.42 3krx s ILE 606 Ca 0.02 1.55 -0.26 0.00 0.00 0.00 0.00 60.65 61.96 3krx s ILE 606 Cb 0.09 -4.35 -0.26 0.00 0.01 0.00 0.00 42.46 37.95 3krx s ILE 606 CO 0.52 -0.44 0.72 1.56 0.00 0.00 0.00 174.94 177.31 3krx h GLN 607 N 8.14 0.07 -1.90 2.79 4.20 -0.76 -3.48 115.11 124.17 3krx h GLN 607 Ca -0.22 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 3krx h GLN 607 Cb 1.07 0.04 -0.21 0.00 0.30 0.00 0.00 27.48 28.68 3krx h GLN 607 CO 0.99 1.05 0.24 -1.54 -0.67 0.00 0.00 178.83 178.91 3krx s SER 608 N -6.46 -0.64 -0.31 1.46 1.04 -1.25 -5.01 113.70 102.54 3krx s SER 608 Ca -0.19 1.02 -0.09 0.00 0.48 0.00 0.00 55.95 57.17 3krx s SER 608 Cb -0.01 0.96 -0.00 0.00 0.10 0.00 0.00 66.02 67.06 3krx s SER 608 CO 0.71 -0.36 0.14 -0.69 0.98 0.00 0.00 173.24 174.01 3krx s VAL 609 N -0.31 4.49 0.47 5.02 1.01 -1.26 -1.86 120.40 127.96 3krx s VAL 609 Ca -0.03 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3krx s VAL 609 Cb -0.03 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3krx s VAL 609 CO 0.03 0.07 0.01 -1.61 0.00 0.00 0.00 175.10 173.60 3krx s GLU 610 N 1.59 2.11 -0.05 2.72 0.41 -0.98 -4.94 118.70 119.56 3krx s GLU 610 Ca 0.04 -2.30 0.04 0.00 -0.41 0.00 0.00 54.97 52.34 3krx s GLU 610 Cb -0.17 -1.51 -0.00 0.00 -1.78 0.00 0.00 34.13 30.67 3krx s GLU 610 CO 0.06 -0.28 -0.17 -1.83 -0.49 0.00 0.00 175.26 172.55 3krx s GLU 611 N -3.82 1.88 0.26 1.61 1.03 -1.26 0.10 118.70 118.49 3krx s GLU 611 Ca 0.15 -0.60 -0.07 0.00 0.03 0.00 0.00 54.97 54.48 3krx s GLU 611 Cb 0.04 -1.59 -0.01 0.00 -0.80 0.00 0.00 34.13 31.77 3krx s GLU 611 CO 0.08 0.21 0.38 0.95 -1.33 0.00 0.00 175.26 175.55 3krx s THR 612 N 0.15 0.00 -0.13 1.83 -4.23 -0.76 -4.93 115.64 107.57 3krx s THR 612 Ca -0.07 -1.63 -0.07 0.00 -1.18 0.00 0.00 61.69 58.75 3krx s THR 612 Cb -0.13 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 3krx s THR 612 CO 0.03 0.00 0.12 -1.10 -0.54 0.00 0.00 174.62 173.13 3krx s GLN 613 N -3.78 3.56 -0.26 3.99 -1.52 -1.26 -1.16 119.66 119.22 3krx s GLN 613 Ca 0.29 -0.19 -0.01 0.00 -1.95 0.00 0.00 55.36 53.50 3krx s GLN 613 Cb 0.01 -3.19 0.08 0.00 -0.22 0.00 0.00 33.01 29.69 3krx s GLN 613 CO 0.13 0.66 0.06 0.42 -0.25 0.00 0.00 175.29 176.30 3krx s ILE 614 N -0.68 0.85 -1.36 1.08 1.01 -0.82 -4.82 121.20 116.45 3krx s ILE 614 Ca 0.13 -1.09 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 3krx s ILE 614 Cb -0.12 -1.47 -0.00 0.00 0.01 0.00 0.00 42.46 40.88 3krx s ILE 614 CO 0.03 -0.44 0.52 0.29 0.00 0.00 0.00 174.94 175.33 3krx n LYS 615 N 4.89 -3.60 -2.01 2.79 5.02 -1.26 -2.50 118.16 121.50 3krx n LYS 615 Ca -0.06 0.47 -0.16 0.00 -2.02 0.00 0.00 58.31 56.54 3krx n LYS 615 Cb 0.44 -4.68 -0.03 0.00 -0.02 0.00 0.00 35.03 30.75 3krx n LYS 615 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3krx n GLU 616 N -4.35 -1.20 -4.55 1.97 1.02 -1.26 -5.01 120.64 107.26 3krx n GLU 616 Ca -0.30 0.86 -0.24 0.00 -0.02 0.00 0.00 57.16 57.47 3krx n GLU 616 Cb 0.68 -5.16 -0.16 0.00 -0.02 0.00 0.00 31.44 26.77 3krx n GLU 616 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3krx s ARG 617 N -4.28 1.60 0.23 3.49 6.06 -1.04 -5.13 118.95 119.88 3krx s ARG 617 Ca 0.00 -0.39 -0.30 0.00 -2.50 0.00 0.00 55.73 52.55 3krx s ARG 617 Cb 0.00 -1.34 -0.09 0.00 0.06 0.00 0.00 34.95 33.58 3krx s ARG 617 CO 0.00 0.03 1.20 0.21 -2.50 0.00 0.00 175.30 174.24 3krx s LYS 618 N 0.65 4.50 0.23 5.12 2.20 -1.26 -1.95 119.74 129.23 3krx s LYS 618 Ca -0.14 1.92 -0.02 0.00 -0.36 0.00 0.00 55.97 57.38 3krx s LYS 618 Cb -0.15 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 3krx s LYS 618 CO 0.03 -0.04 0.21 0.00 -0.36 0.00 0.00 175.35 175.19 3krx s LEU 620 N -3.17 4.39 -0.52 0.00 1.43 -0.15 -1.83 118.68 118.82 3krx s LEU 620 Ca 0.37 0.48 0.04 0.00 -1.03 0.00 0.00 54.13 53.98 3krx s LEU 620 Cb 0.05 -2.08 0.14 0.00 0.03 0.00 0.00 46.19 44.32 3krx s LEU 620 CO 0.14 0.41 0.28 -0.22 0.23 0.00 0.00 176.35 177.19 3krx s LEU 621 N -1.02 4.03 0.19 1.79 2.96 0.11 -1.59 118.68 125.15 3krx s LEU 621 Ca 0.15 -3.04 -0.30 0.00 -0.22 0.00 0.00 54.13 50.72 3krx s LEU 621 Cb -0.12 -1.51 -0.08 0.00 0.50 0.00 0.00 46.19 44.98 3krx s LEU 621 CO 0.04 -0.22 1.14 -0.76 -1.32 0.00 0.00 176.35 175.23 3krx s LEU 622 N -0.30 4.48 -0.29 -0.68 1.43 -0.20 -2.31 118.68 120.81 3krx s LEU 622 Ca 0.18 2.16 -0.06 0.00 -1.03 0.00 0.00 54.13 55.38 3krx s LEU 622 Cb -0.23 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.39 3krx s LEU 622 CO -0.02 -0.28 0.06 -0.54 0.23 0.00 0.00 176.35 175.80 3krx s LYS 623 N -0.40 3.11 0.24 1.70 1.02 -0.78 -1.49 119.74 123.14 3krx s LYS 623 Ca 0.50 -0.84 -0.14 0.00 0.02 0.00 0.00 55.97 55.52 3krx s LYS 623 Cb -0.31 -3.32 -0.08 0.00 -0.52 0.00 0.00 37.83 33.60 3krx s LYS 623 CO 0.36 -0.42 0.63 0.42 -0.92 0.00 0.00 175.35 175.43 3krx s ILE 624 N 1.49 4.78 0.43 2.17 1.01 0.12 -0.04 121.20 131.16 3krx s ILE 624 Ca 0.03 0.81 0.16 0.00 0.00 0.00 0.00 60.65 61.64 3krx s ILE 624 Cb -0.17 -3.67 0.35 0.00 0.01 0.00 0.00 42.46 38.99 3krx s ILE 624 CO 0.02 -0.01 1.92 -0.09 0.00 0.00 0.00 174.94 176.78 3krx h ARG 625 N 2.76 0.40 -1.00 2.79 2.43 -0.65 -2.10 114.38 119.01 3krx h ARG 625 Ca -0.48 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3krx h ARG 625 Cb 1.18 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3krx h ARG 625 CO 0.67 0.26 0.00 0.41 -1.51 0.00 0.00 179.97 179.80 3krx n GLY 626 N -1.52 1.77 2.71 2.80 0.00 -1.26 -4.80 105.19 104.88 3krx n GLY 626 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3krx n GLY 626 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krx n GLY 627 N 0.26 0.54 3.96 -0.02 0.00 -0.79 -5.01 105.19 104.12 3krx n GLY 627 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3krx n GLY 627 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krx s LYS 628 N -0.40 3.26 -0.02 1.61 1.02 -1.22 -4.92 119.74 119.08 3krx s LYS 628 Ca 0.00 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 55.49 3krx s LYS 628 Cb 0.00 -2.66 -0.00 0.00 -0.52 0.00 0.00 37.83 34.64 3krx s LYS 628 CO 0.00 -0.00 -0.11 -0.65 -0.92 0.00 0.00 175.35 173.66 3krx s GLN 629 N -4.36 1.04 -0.12 1.68 -0.21 -1.26 0.11 119.66 116.55 3krx s GLN 629 Ca 0.43 -0.40 0.03 0.00 0.02 0.00 0.00 55.36 55.44 3krx s GLN 629 Cb -0.10 -0.98 -0.00 0.00 1.00 0.00 0.00 33.01 32.93 3krx s GLN 629 CO 0.35 0.20 -0.21 0.12 -2.12 0.00 0.00 175.29 173.64 3krx s PHE 630 N -0.08 2.64 -0.17 0.91 5.99 -0.55 -4.98 117.98 121.74 3krx s PHE 630 Ca 0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 56.93 55.92 3krx s PHE 630 Cb -0.07 -1.76 -0.01 0.00 0.00 0.00 0.00 43.02 41.18 3krx s PHE 630 CO 0.00 -0.41 -0.11 0.42 -0.00 0.00 0.00 175.22 175.12 3krx s ILE 631 N 0.44 3.02 -0.10 3.12 1.01 -1.26 -1.03 121.20 126.40 3krx s ILE 631 Ca -0.15 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3krx s ILE 631 Cb -0.17 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 3krx s ILE 631 CO 0.06 0.49 -0.14 -0.76 0.00 0.00 0.00 174.94 174.60 3krx s LEU 632 N 0.87 2.72 0.21 2.97 1.43 -0.62 -3.89 118.68 122.36 3krx s LEU 632 Ca -0.03 -0.28 0.06 0.00 -1.03 0.00 0.00 54.13 52.85 3krx s LEU 632 Cb -0.15 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 3krx s LEU 632 CO 0.00 0.23 0.14 -1.58 0.23 0.00 0.00 176.35 175.37 3krx s GLN 633 N -0.02 2.83 0.11 1.70 0.74 -1.02 -0.98 119.66 123.01 3krx s GLN 633 Ca -0.03 -1.00 0.05 0.00 0.05 0.00 0.00 55.36 54.42 3krx s GLN 633 Cb -0.14 -2.55 -0.04 0.00 1.10 0.00 0.00 33.01 31.38 3krx s GLN 633 CO 0.04 0.44 -0.12 0.00 -0.55 0.00 0.00 175.29 175.09 3krx n ASP 635 N 0.63 0.13 -3.50 0.00 8.00 -1.26 -4.90 116.55 115.65 3krx n ASP 635 Ca -0.16 -0.02 -0.10 0.00 0.71 0.00 0.00 54.79 55.22 3krx n ASP 635 Cb 0.57 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 3krx n ASP 635 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3krx s SER 636 N -2.73 -0.43 0.14 -2.24 1.04 -1.26 -5.07 113.70 103.15 3krx s SER 636 Ca 0.22 0.10 -0.12 0.00 0.48 0.00 0.00 55.95 56.64 3krx s SER 636 Cb 0.20 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 3krx s SER 636 CO 0.51 -0.65 1.53 0.44 0.98 0.00 0.00 173.24 176.05 3krx h ASP 637 N 2.14 0.92 -0.95 7.02 3.32 -1.91 -2.48 116.42 124.49 3krx h ASP 637 Ca -0.24 -0.39 0.16 0.00 0.02 0.00 0.00 57.03 56.58 3krx h ASP 637 Cb 1.24 -0.25 -0.08 0.00 0.22 0.00 0.00 39.33 40.45 3krx h ASP 637 CO 0.33 1.11 0.60 -0.65 -1.72 0.00 0.00 179.24 178.91 3krx h PRO 638 N 0.73 0.70 -0.47 3.56 0.11 -1.93 -1.58 132.00 133.11 3krx h PRO 638 Ca 0.10 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 3krx h PRO 638 Cb 0.75 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 3krx h PRO 638 CO 0.06 0.46 0.04 0.93 -0.21 0.00 0.00 178.00 179.28 3krx h GLU 639 N 0.72 0.81 -0.64 1.05 5.08 -1.85 -2.47 114.58 117.28 3krx h GLU 639 Ca 0.50 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3krx h GLU 639 Cb 0.82 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 3krx h GLU 639 CO -0.26 0.84 0.39 1.25 -1.00 0.00 0.00 179.01 180.23 3krx h LEU 640 N 0.67 0.76 -0.56 1.33 5.85 -0.92 -0.77 115.31 121.67 3krx h LEU 640 Ca 0.14 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 3krx h LEU 640 Cb 0.44 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3krx h LEU 640 CO 0.02 0.59 0.00 0.58 -0.34 0.00 0.00 178.44 179.29 3krx h VAL 641 N 0.87 1.26 0.15 1.05 2.07 -1.31 -2.79 116.25 117.56 3krx h VAL 641 Ca 0.23 -1.12 -0.30 0.00 0.82 0.00 0.00 66.70 66.33 3krx h VAL 641 Cb -0.04 0.87 0.03 0.00 -1.52 0.00 0.00 31.29 30.62 3krx h VAL 641 CO -0.04 0.40 -1.29 -0.61 0.02 0.00 0.00 177.57 176.04 3krx h GLN 642 N 0.87 0.52 0.34 1.57 5.75 -1.20 -2.33 115.11 120.63 3krx h GLN 642 Ca 0.16 -0.76 -0.02 0.00 -0.15 0.00 0.00 58.65 57.88 3krx h GLN 642 Cb 0.54 0.27 0.00 0.00 1.07 0.00 0.00 27.48 29.36 3krx h GLN 642 CO 0.03 1.35 -0.16 -1.49 -2.65 0.00 0.00 178.83 175.90 3krx h TRP 643 N 0.20 -0.42 -0.69 3.99 4.06 -1.22 0.17 115.95 122.04 3krx h TRP 643 Ca -0.19 -0.01 0.11 0.00 2.06 0.00 0.00 58.89 60.86 3krx h TRP 643 Cb 1.98 0.14 -0.12 0.00 -1.00 0.00 0.00 29.16 30.15 3krx h TRP 643 CO 0.11 -0.17 -0.36 -0.22 -3.56 0.00 0.00 178.44 174.24 3krx h LYS 644 N -0.61 -0.13 0.60 0.49 3.64 -1.56 -1.15 116.57 117.84 3krx h LYS 644 Ca -0.05 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3krx h LYS 644 Cb 0.45 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3krx h LYS 644 CO 0.08 -0.08 -0.29 -0.22 -2.27 0.00 0.00 179.45 176.66 3krx h LYS 645 N -0.13 -0.77 0.00 1.90 3.64 -1.22 -2.31 116.57 117.67 3krx h LYS 645 Ca 0.25 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3krx h LYS 645 Cb 0.56 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3krx h LYS 645 CO -0.75 -0.48 0.00 0.93 -2.27 0.00 0.00 179.45 176.87 3krx h GLU 646 N -0.90 0.00 0.04 1.90 4.39 -0.27 -0.43 114.58 119.32 3krx h GLU 646 Ca -0.08 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 3krx h GLU 646 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3krx h GLU 646 CO 0.13 0.00 -0.49 -0.07 -1.16 0.00 0.00 179.01 177.43 3krx h LEU 647 N 0.00 0.14 -1.33 1.33 3.38 -1.23 -2.53 115.31 115.07 3krx h LEU 647 Ca 0.00 -0.91 0.16 0.00 0.09 0.00 0.00 57.88 57.22 3krx h LEU 647 Cb 0.35 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 3krx h LEU 647 CO 0.00 1.21 0.58 0.03 0.09 0.00 0.00 178.44 180.35 3krx h ARG 648 N -0.79 0.59 0.03 1.13 3.08 -0.72 0.16 114.38 117.85 3krx h ARG 648 Ca -0.11 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 59.70 3krx h ARG 648 Cb 1.26 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 3krx h ARG 648 CO 0.01 0.39 -0.97 -0.44 -1.07 0.00 0.00 179.97 177.89 3krx h ASP 649 N 0.61 0.18 0.20 7.04 3.32 -1.25 -3.17 116.42 123.34 3krx h ASP 649 Ca 0.46 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 3krx h ASP 649 Cb 0.87 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3krx h ASP 649 CO -0.21 1.04 -0.09 0.00 -1.72 0.00 0.00 179.24 178.26 3krx h ALA 650 N 0.94 -0.26 -0.08 3.45 0.00 -0.35 -2.41 119.26 120.54 3krx h ALA 650 Ca -0.05 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 3krx h ALA 650 Cb 1.65 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 3krx h ALA 650 CO 0.14 -0.45 -0.62 0.10 0.00 0.00 0.00 179.25 178.42 3krx h TYR 651 N -0.65 0.36 -0.36 0.00 -0.00 -1.07 -1.12 116.97 114.14 3krx h TYR 651 Ca -0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 58.73 58.44 3krx h TYR 651 Cb 0.47 -0.06 -0.01 0.00 0.00 0.00 0.00 36.73 37.12 3krx h TYR 651 CO 0.04 0.82 -0.27 0.00 -0.00 0.00 0.00 178.16 178.75 3krx h ARG 652 N 0.21 0.75 -0.14 0.10 3.08 -1.62 0.88 114.38 117.64 3krx h ARG 652 Ca -0.01 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.69 3krx h ARG 652 Cb 1.13 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 3krx h ARG 652 CO 0.10 0.94 -0.04 1.49 -1.07 0.00 0.00 179.97 181.38 3krx h GLU 653 N 0.64 0.28 -0.42 0.04 4.57 -1.38 -3.14 114.58 115.17 3krx h GLU 653 Ca 0.08 -0.11 0.05 0.00 -1.18 0.00 0.00 59.36 58.20 3krx h GLU 653 Cb 0.79 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.32 3krx h GLU 653 CO 0.06 0.57 0.18 0.00 -1.18 0.00 0.00 179.01 178.65 3krx h ALA 654 N 0.69 0.52 0.00 2.92 0.00 -0.97 -2.20 119.26 120.22 3krx h ALA 654 Ca 0.03 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3krx h ALA 654 Cb 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3krx h ALA 654 CO 0.02 -0.20 -0.30 1.96 0.00 0.00 0.00 179.25 180.72 3krx h GLN 655 N 0.36 0.00 0.10 0.00 4.20 -0.90 -2.54 115.11 116.33 3krx h GLN 655 Ca 0.19 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.61 3krx h GLN 655 Cb 0.15 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.96 3krx h GLN 655 CO -0.17 0.30 -1.21 0.37 -0.67 0.00 0.00 178.83 177.45 3krx h GLN 656 N 0.00 0.64 -0.81 1.46 4.15 -1.43 -3.16 115.11 115.96 3krx h GLN 656 Ca -0.00 -0.82 0.00 0.00 0.77 0.00 0.00 58.65 58.60 3krx h GLN 656 Cb 0.75 0.26 -0.04 0.00 0.21 0.00 0.00 27.48 28.66 3krx h GLN 656 CO 0.04 1.37 0.51 -0.07 -1.93 0.00 0.00 178.83 178.75 3krx h LEU 657 N 0.30 0.94 -0.25 -2.39 3.38 -1.14 -2.97 115.31 113.17 3krx h LEU 657 Ca -0.18 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3krx h LEU 657 Cb 1.88 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 3krx h LEU 657 CO 0.23 0.70 -0.13 0.58 0.09 0.00 0.00 178.44 179.91 3krx h VAL 658 N 1.10 1.30 -0.86 1.22 2.07 -1.56 -3.20 116.25 116.32 3krx h VAL 658 Ca 0.29 -1.22 0.19 0.00 0.82 0.00 0.00 66.70 66.79 3krx h VAL 658 Cb -0.09 1.55 -0.16 0.00 -1.52 0.00 0.00 31.29 31.07 3krx h VAL 658 CO -0.06 0.38 -0.14 1.67 0.02 0.00 0.00 177.57 179.44 3krx n GLN 659 N -4.46 -0.07 -0.04 1.57 7.27 -1.12 -0.26 117.38 120.26 3krx n GLN 659 Ca -0.04 1.33 -0.11 0.00 0.07 0.00 0.00 57.00 58.25 3krx n GLN 659 Cb 0.36 -2.03 -0.05 0.00 2.41 0.00 0.00 30.24 30.94 3krx n GLN 659 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 3krx h ARG 660 N 0.00 0.24 -6.31 3.69 2.43 -1.63 -3.43 114.38 109.37 3krx h ARG 660 Ca 0.45 -0.03 -0.57 0.00 -0.81 0.00 0.00 59.98 59.02 3krx h ARG 660 Cb 0.78 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 3krx h ARG 660 CO -0.86 0.27 1.01 0.08 -1.51 0.00 0.00 179.97 178.96 3krx s VAL 661 N -5.75 4.03 0.31 0.20 1.01 0.64 -4.90 120.40 115.94 3krx s VAL 661 Ca -0.13 1.17 0.20 0.00 0.00 0.00 0.00 61.98 63.21 3krx s VAL 661 Cb 0.07 -4.01 0.18 0.00 0.00 0.00 0.00 36.38 32.62 3krx s VAL 661 CO 0.70 -0.38 1.88 -0.65 0.00 0.00 0.00 175.10 176.64 3krx h PRO 662 N 9.55 0.00 0.00 2.72 0.11 -1.84 -2.56 132.00 139.99 3krx h PRO 662 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3krx h PRO 662 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3krx h PRO 662 CO 1.02 0.28 0.00 -0.22 -0.21 0.00 0.00 178.00 178.87 3krx h LYS 663 N 0.00 0.00 0.00 1.05 3.64 -1.92 -3.30 116.57 116.04 3krx h LYS 663 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3krx h LYS 663 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3krx h LYS 663 CO 0.04 0.00 -0.60 -1.33 -2.27 0.00 0.00 179.45 175.29 3krx n MET 664 N -2.42 3.28 -2.19 1.90 2.81 -1.15 -5.08 117.12 114.27 3krx n MET 664 Ca 0.03 -0.01 -0.26 0.00 -1.81 0.00 0.00 57.70 55.65 3krx n MET 664 Cb 0.33 -0.84 0.07 0.00 -0.71 0.00 0.00 33.22 32.07 3krx n MET 664 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3krx s LYS 665 N -1.70 2.23 -0.42 0.03 -2.85 -0.97 -5.02 119.74 111.03 3krx s LYS 665 Ca 0.00 -0.21 -0.18 0.00 -1.00 0.00 0.00 55.97 54.58 3krx s LYS 665 Cb 0.02 -2.16 0.02 0.00 -2.06 0.00 0.00 37.83 33.65 3krx s LYS 665 CO 0.12 -1.23 0.50 -0.80 0.10 0.00 0.00 175.35 174.04 3krx s ASN 666 N -4.51 6.24 0.37 0.03 0.02 -1.26 -5.02 114.94 110.80 3krx s ASN 666 Ca 0.60 -0.55 0.01 0.00 -1.02 0.00 0.00 52.86 51.90 3krx s ASN 666 Cb -0.11 -2.25 -0.02 0.00 0.02 0.00 0.00 41.25 38.89 3krx s ASN 666 CO 0.45 -0.63 0.56 -0.54 0.02 0.00 0.00 177.10 176.96 3krx s LYS 667 N 2.34 3.37 0.57 -0.60 1.02 -1.26 -5.06 119.74 120.12 3krx s LYS 667 Ca 0.15 -0.43 -0.20 0.00 0.02 0.00 0.00 55.97 55.52 3krx s LYS 667 Cb -0.16 -2.66 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 3krx s LYS 667 CO 0.15 0.06 1.18 -2.30 -0.92 0.00 0.00 175.35 173.52 3krx n PRO 668 N -1.83 1.28 0.11 -1.68 -0.02 -1.26 -4.96 135.00 126.63 3krx n PRO 668 Ca -0.03 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3krx n PRO 668 Cb 0.57 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3krx n PRO 668 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3krx n ARG 669 N -1.07 0.00 -2.23 -0.52 1.74 -1.26 -5.10 116.66 108.22 3krx n ARG 669 Ca 0.12 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.80 3krx n ARG 669 Cb 0.46 -0.15 -0.03 0.00 -1.02 0.00 0.00 32.46 31.72 3krx n ARG 669 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3krx s SER 670 N -5.25 6.84 0.00 0.55 0.15 -1.26 -5.38 113.70 109.35 3krx s SER 670 Ca 0.00 2.52 0.20 0.00 0.70 0.00 0.00 55.95 59.38 3krx s SER 670 Cb 0.00 -2.64 1.22 0.00 -1.71 0.00 0.00 66.02 62.90 3krx s SER 670 CO 0.00 -0.47 1.61 -0.81 1.20 0.00 0.00 173.24 174.77