#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4m s TYR 47 N 0.00 2.40 0.13 5.64 1.51 -0.52 -5.01 117.35 121.50 3k4m s TYR 47 Ca 0.00 -0.31 -0.12 0.00 -1.01 0.00 0.00 57.07 55.63 3k4m s TYR 47 Cb 0.00 -1.13 -0.05 0.00 -0.11 0.00 0.00 41.96 40.67 3k4m s TYR 47 CO 0.00 0.58 1.47 -0.44 -1.11 0.00 0.00 175.55 176.05 3k4m h ASP 48 N 2.73 0.91 -3.43 2.29 3.32 -1.64 -2.96 116.42 117.64 3k4m h ASP 48 Ca -0.44 -0.46 -0.38 0.00 0.02 0.00 0.00 57.03 55.77 3k4m h ASP 48 Cb 1.23 -0.26 -0.35 0.00 0.22 0.00 0.00 39.33 40.17 3k4m h ASP 48 CO 0.54 1.18 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.79 3k4m s VAL 49 N -4.43 0.28 -0.11 -1.35 1.01 -1.05 0.10 120.40 114.86 3k4m s VAL 49 Ca -0.12 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 3k4m s VAL 49 Cb 0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 3k4m s VAL 49 CO 0.86 0.19 -0.07 0.68 0.00 0.00 0.00 175.10 176.76 3k4m s VAL 50 N 1.25 3.67 -0.11 2.92 -7.23 -0.78 -0.32 120.40 119.79 3k4m s VAL 50 Ca -0.06 -0.46 0.01 0.00 -1.81 0.00 0.00 61.98 59.65 3k4m s VAL 50 Cb -0.13 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 3k4m s VAL 50 CO -0.02 0.55 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.55 3k4m s ILE 51 N -0.16 3.04 -0.37 -0.62 1.01 -0.45 -0.92 121.20 122.73 3k4m s ILE 51 Ca 0.02 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.88 3k4m s ILE 51 Cb -0.13 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.10 3k4m s ILE 51 CO 0.03 0.54 0.21 -0.69 0.00 0.00 0.00 174.94 175.02 3k4m s VAL 52 N 0.09 4.65 0.00 2.92 1.01 0.50 -1.54 120.40 128.04 3k4m s VAL 52 Ca -0.06 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3k4m s VAL 52 Cb -0.15 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3k4m s VAL 52 CO 0.05 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.57 3k4m n GLY 53 N 5.01 2.57 1.74 4.51 0.00 -0.21 -0.39 105.19 118.42 3k4m n GLY 53 Ca -0.12 -1.39 -0.17 0.00 0.00 0.00 0.00 46.02 44.34 3k4m n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k4m n SER 54 N 0.00 4.01 -3.44 1.61 3.41 -1.26 -4.45 113.62 113.50 3k4m n SER 54 Ca 0.00 -3.75 -0.23 0.00 -0.26 0.00 0.00 58.87 54.64 3k4m n SER 54 Cb 0.00 -0.71 0.16 0.00 -0.26 0.00 0.00 64.21 63.40 3k4m n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k4m n GLY 55 N -1.04 -1.51 0.28 5.00 0.00 -1.26 -1.12 105.19 105.54 3k4m n GLY 55 Ca 0.46 -1.69 0.14 0.00 0.00 0.00 0.00 46.02 44.93 3k4m n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4m h PRO 56 N 0.00 0.00 0.24 1.61 0.13 -1.92 0.11 132.00 132.17 3k4m h PRO 56 Ca -0.33 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.47 3k4m h PRO 56 Cb 0.91 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.07 3k4m h PRO 56 CO 0.23 0.05 -1.48 0.82 -0.23 0.00 0.00 178.00 177.39 3k4m h ILE 57 N 0.00 1.28 -0.28 -3.56 1.08 -1.92 -2.06 117.51 112.05 3k4m h ILE 57 Ca -0.00 -2.72 -0.10 0.00 -0.39 0.00 0.00 64.86 61.64 3k4m h ILE 57 Cb 0.14 3.02 -0.01 0.00 -3.07 0.00 0.00 36.82 36.90 3k4m h ILE 57 CO 0.01 0.82 -0.27 1.23 -0.69 0.00 0.00 178.15 179.25 3k4m h GLY 58 N 0.32 0.60 2.00 5.37 0.00 -1.68 -2.05 103.07 107.64 3k4m h GLY 58 Ca -0.25 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3k4m h GLY 58 CO 0.27 0.47 0.00 0.00 0.00 0.00 0.00 176.54 177.27 3k4m h THR 60 N 0.00 1.37 -0.62 0.00 2.02 -0.65 0.14 112.91 115.18 3k4m h THR 60 Ca 0.00 -1.64 0.07 0.00 0.77 0.00 0.00 66.41 65.62 3k4m h THR 60 Cb 0.57 2.08 -0.06 0.00 -1.74 0.00 0.00 68.15 69.01 3k4m h THR 60 CO 0.00 0.49 0.29 1.88 0.37 0.00 0.00 175.52 178.55 3k4m h TYR 61 N 0.05 0.52 -0.20 3.16 0.05 -1.21 -2.86 116.97 116.49 3k4m h TYR 61 Ca -0.01 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 3k4m h TYR 61 Cb 0.95 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 3k4m h TYR 61 CO 0.11 0.21 0.06 0.00 -1.05 0.00 0.00 178.16 177.48 3k4m h ALA 62 N 1.37 0.26 0.03 3.88 0.00 -1.29 0.86 119.26 124.37 3k4m h ALA 62 Ca 0.29 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3k4m h ALA 62 Cb 0.27 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3k4m h ALA 62 CO -0.23 -0.11 -0.15 -0.09 0.00 0.00 0.00 179.25 178.66 3k4m h ARG 63 N 0.14 -0.26 0.69 0.00 2.43 -0.86 0.17 114.38 116.70 3k4m h ARG 63 Ca 0.06 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3k4m h ARG 63 Cb 0.25 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3k4m h ARG 63 CO -0.00 -0.18 -0.33 0.93 -1.51 0.00 0.00 179.97 178.88 3k4m h GLU 64 N -0.27 -0.90 -0.14 0.20 4.39 -1.50 -2.28 114.58 114.08 3k4m h GLU 64 Ca 0.04 0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 3k4m h GLU 64 Cb 0.32 0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3k4m h GLU 64 CO -0.13 -0.57 -0.16 -0.07 -1.16 0.00 0.00 179.01 176.92 3k4m h LEU 65 N -1.04 0.38 -0.40 1.33 3.38 -0.77 0.12 115.31 118.31 3k4m h LEU 65 Ca -0.10 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 57.42 3k4m h LEU 65 Cb 0.74 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3k4m h LEU 65 CO 0.16 0.81 0.15 0.58 0.09 0.00 0.00 178.44 180.22 3k4m h VAL 66 N -0.03 0.89 -0.91 1.22 2.07 -0.79 -1.56 116.25 117.13 3k4m h VAL 66 Ca 0.02 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.47 3k4m h VAL 66 Cb 0.71 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3k4m h VAL 66 CO 0.04 0.06 0.60 1.23 0.02 0.00 0.00 177.57 179.51 3k4m h GLY 67 N 0.31 1.32 2.00 2.17 0.00 -1.32 -2.32 103.07 105.23 3k4m h GLY 67 Ca 0.18 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3k4m h GLY 67 CO -0.18 0.37 0.00 0.00 0.00 0.00 0.00 176.54 176.72 3k4m h ALA 68 N 1.48 1.00 0.00 3.60 0.00 0.09 -3.46 119.26 121.97 3k4m h ALA 68 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3k4m h ALA 68 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3k4m h ALA 68 CO -0.12 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.54 3k4m n GLY 69 N -0.02 1.02 3.79 0.00 0.00 -0.87 -5.01 105.19 104.09 3k4m n GLY 69 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3k4m n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k4m s TYR 70 N -2.00 2.84 -0.33 1.61 1.51 -0.67 -4.69 117.35 115.62 3k4m s TYR 70 Ca 0.00 1.51 -0.11 0.00 -1.01 0.00 0.00 57.07 57.47 3k4m s TYR 70 Cb 0.00 -3.04 -0.01 0.00 -0.11 0.00 0.00 41.96 38.80 3k4m s TYR 70 CO 0.00 -1.41 0.19 0.21 -1.11 0.00 0.00 175.55 173.43 3k4m s LYS 71 N -4.37 3.34 -0.05 -0.62 2.20 -1.26 -4.27 119.74 114.71 3k4m s LYS 71 Ca 0.63 -0.73 0.06 0.00 -0.36 0.00 0.00 55.97 55.57 3k4m s LYS 71 Cb -0.17 -3.67 -0.02 0.00 -1.51 0.00 0.00 37.83 32.46 3k4m s LYS 71 CO 0.44 -0.46 -0.23 0.08 -0.36 0.00 0.00 175.35 174.83 3k4m s VAL 72 N 1.65 2.28 -0.03 4.02 1.01 -0.72 -1.68 120.40 126.92 3k4m s VAL 72 Ca 0.05 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.09 3k4m s VAL 72 Cb -0.17 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 3k4m s VAL 72 CO 0.08 0.57 -0.20 0.00 0.00 0.00 0.00 175.10 175.56 3k4m s ALA 73 N -0.35 2.45 -0.08 5.51 0.00 0.56 -1.41 121.76 128.44 3k4m s ALA 73 Ca 0.02 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.93 3k4m s ALA 73 Cb -0.12 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.25 3k4m s ALA 73 CO 0.02 0.55 -0.13 1.41 0.00 0.00 0.00 175.76 177.61 3k4m s MET 74 N -0.78 1.87 -0.02 0.00 1.75 0.25 -1.34 119.30 121.03 3k4m s MET 74 Ca 0.11 -0.45 0.03 0.00 -1.25 0.00 0.00 55.69 54.13 3k4m s MET 74 Cb -0.10 -1.59 -0.03 0.00 2.84 0.00 0.00 34.83 35.94 3k4m s MET 74 CO 0.00 -0.03 -0.10 -0.06 -0.65 0.00 0.00 175.02 174.19 3k4m s PHE 75 N 0.87 2.82 0.01 4.11 0.08 -0.59 -0.58 117.98 124.70 3k4m s PHE 75 Ca -0.10 -0.08 -0.00 0.00 0.12 0.00 0.00 56.93 56.87 3k4m s PHE 75 Cb -0.15 -1.62 -0.01 0.00 -0.57 0.00 0.00 43.02 40.67 3k4m s PHE 75 CO 0.01 0.30 -0.01 0.34 -0.10 0.00 0.00 175.22 175.76 3k4m s ASP 76 N -1.09 0.10 0.29 1.36 -1.08 -0.55 -1.04 116.67 114.65 3k4m s ASP 76 Ca 0.14 -0.21 0.15 0.00 -0.52 0.00 0.00 52.55 52.11 3k4m s ASP 76 Cb -0.11 0.05 0.27 0.00 -1.46 0.00 0.00 42.92 41.67 3k4m s ASP 76 CO 0.04 -0.13 1.54 -0.29 0.52 0.00 0.00 175.17 176.84 3k4m h ILE 77 N 4.92 1.05 -3.94 4.11 2.10 -1.82 0.72 117.51 124.65 3k4m h ILE 77 Ca -0.28 -2.15 -0.08 0.00 1.08 0.00 0.00 64.86 63.43 3k4m h ILE 77 Cb 1.21 2.29 0.01 0.00 -1.09 0.00 0.00 36.82 39.24 3k4m h ILE 77 CO 0.46 0.53 0.01 0.61 -1.08 0.00 0.00 178.15 178.68 3k4m n GLY 78 N 0.81 1.21 3.38 8.18 0.00 -1.26 -3.73 105.19 113.77 3k4m n GLY 78 Ca 0.01 -2.04 -0.20 0.00 0.00 0.00 0.00 46.02 43.79 3k4m n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4m s GLU 79 N -2.69 1.42 -0.31 1.61 2.02 -1.26 -0.63 118.70 118.85 3k4m s GLU 79 Ca 0.11 -1.64 -0.28 0.00 0.02 0.00 0.00 54.97 53.19 3k4m s GLU 79 Cb -0.01 -1.28 -0.05 0.00 0.10 0.00 0.00 34.13 32.90 3k4m s GLU 79 CO 0.07 0.22 2.21 0.42 0.02 0.00 0.00 175.26 178.20 3k4m s ILE 80 N -2.86 3.07 -0.43 -1.63 1.01 -1.26 -1.66 121.20 117.44 3k4m s ILE 80 Ca 0.24 0.06 0.06 0.00 0.00 0.00 0.00 60.65 61.02 3k4m s ILE 80 Cb -0.02 -3.11 0.20 0.00 0.01 0.00 0.00 42.46 39.55 3k4m s ILE 80 CO 0.09 -0.08 0.50 -0.90 0.00 0.00 0.00 174.94 174.55 3k4m n ASP 81 N 12.67 -0.94 -0.27 3.58 5.75 -1.26 -4.90 116.55 131.17 3k4m n ASP 81 Ca 0.31 -2.63 0.01 0.00 -0.01 0.00 0.00 54.79 52.47 3k4m n ASP 81 Cb 0.48 -0.03 0.02 0.00 -1.03 0.00 0.00 41.12 40.56 3k4m n ASP 81 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3k4m n SER 82 N 2.33 0.49 0.00 -1.12 7.64 -1.26 -4.99 113.62 116.70 3k4m n SER 82 Ca 0.24 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 58.22 3k4m n SER 82 Cb 0.52 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 3k4m n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4m n GLY 83 N -0.25 -1.69 0.18 0.23 0.00 -1.26 -4.46 105.19 97.94 3k4m n GLY 83 Ca 0.02 -1.59 0.03 0.00 0.00 0.00 0.00 46.02 44.48 3k4m n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k4m h LEU 84 N 0.00 0.00 -8.62 0.99 3.38 -2.01 -3.39 115.31 105.67 3k4m h LEU 84 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3k4m h LEU 84 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 3k4m h LEU 84 CO 0.00 0.40 0.89 -0.54 0.09 0.00 0.00 178.44 179.28 3k4m s LYS 85 N -4.03 3.56 0.06 1.13 1.02 -1.26 -4.97 119.74 115.25 3k4m s LYS 85 Ca -0.02 0.28 -0.31 0.00 0.02 0.00 0.00 55.97 55.95 3k4m s LYS 85 Cb 0.14 -3.98 -0.06 0.00 -0.52 0.00 0.00 37.83 33.41 3k4m s LYS 85 CO 0.72 -1.53 1.29 0.42 -0.92 0.00 0.00 175.35 175.33 3k4m s ILE 86 N 4.60 3.78 -0.03 2.17 1.01 -1.26 -2.25 121.20 129.22 3k4m s ILE 86 Ca 0.43 1.25 0.00 0.00 0.00 0.00 0.00 60.65 62.33 3k4m s ILE 86 Cb -0.08 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.59 3k4m s ILE 86 CO 0.27 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.89 3k4m n GLY 87 N 3.38 0.46 3.84 6.18 0.00 -1.26 -4.25 105.19 113.55 3k4m n GLY 87 Ca 0.11 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3k4m n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m s ALA 88 N -1.92 2.18 -0.02 4.61 0.00 -0.95 -2.85 121.76 122.81 3k4m s ALA 88 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 3k4m s ALA 88 Cb 0.00 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 3k4m s ALA 88 CO 0.00 -2.04 1.09 -1.58 0.00 0.00 0.00 175.76 173.23 3k4m s HIS 89 N -3.45 3.48 -1.17 0.00 2.46 -1.26 -4.55 115.29 110.79 3k4m s HIS 89 Ca 0.64 1.48 0.20 0.00 0.47 0.00 0.00 55.06 57.85 3k4m s HIS 89 Cb -0.12 -3.27 0.91 0.00 -0.13 0.00 0.00 32.58 29.97 3k4m s HIS 89 CO 0.51 -0.64 1.63 1.63 -2.47 0.00 0.00 174.74 175.41 3k4m n LYS 90 N 4.38 0.12 0.00 2.88 5.02 -0.29 -2.11 118.16 128.16 3k4m n LYS 90 Ca 0.08 0.14 0.14 0.00 -2.02 0.00 0.00 58.31 56.65 3k4m n LYS 90 Cb 0.48 -1.50 0.57 0.00 -0.02 0.00 0.00 35.03 34.56 3k4m n LYS 90 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3k4m n LYS 91 N -1.41 1.11 -1.03 1.97 4.81 -1.26 -4.13 118.16 118.21 3k4m n LYS 91 Ca 0.07 -0.52 -0.19 0.00 -0.87 0.00 0.00 58.31 56.79 3k4m n LYS 91 Cb 0.20 -1.49 0.02 0.00 0.02 0.00 0.00 35.03 33.78 3k4m n LYS 91 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k4m n ASN 92 N -0.49 6.52 -4.66 3.14 3.02 -0.90 -4.40 115.26 117.49 3k4m n ASN 92 Ca 0.17 -3.12 -0.32 0.00 -0.03 0.00 0.00 54.58 51.28 3k4m n ASN 92 Cb 0.30 -1.09 -0.09 0.00 -0.61 0.00 0.00 39.78 38.29 3k4m n ASN 92 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3k4m s THR 93 N -2.36 4.00 0.33 3.41 -4.23 -1.26 -4.98 115.64 110.55 3k4m s THR 93 Ca 0.38 -0.75 0.03 0.00 -1.18 0.00 0.00 61.69 60.18 3k4m s THR 93 Cb 0.28 -2.81 0.29 0.00 1.34 0.00 0.00 72.50 71.60 3k4m s THR 93 CO -0.05 0.31 1.94 0.58 -0.54 0.00 0.00 174.62 176.86 3k4m h VAL 94 N 3.41 1.05 -0.59 2.29 2.07 -1.98 -0.07 116.25 122.43 3k4m h VAL 94 Ca -0.48 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 3k4m h VAL 94 Cb 1.17 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3k4m h VAL 94 CO 0.57 0.16 -0.02 -0.08 0.02 0.00 0.00 177.57 178.22 3k4m h GLU 95 N 0.89 1.05 -0.57 1.57 4.57 -1.95 -1.84 114.58 118.31 3k4m h GLU 95 Ca 0.35 -0.35 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3k4m h GLU 95 Cb 0.22 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 3k4m h GLU 95 CO -0.12 1.04 0.26 1.88 -1.18 0.00 0.00 179.01 180.89 3k4m h TYR 96 N 0.94 0.83 0.00 0.92 0.05 -1.51 -2.54 116.97 115.66 3k4m h TYR 96 Ca 0.16 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.90 3k4m h TYR 96 Cb 0.58 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.07 3k4m h TYR 96 CO 0.04 0.65 0.00 1.04 -1.05 0.00 0.00 178.16 178.84 3k4m n GLN 97 N -4.53 0.08 0.00 4.88 6.02 -0.16 -0.36 117.38 123.31 3k4m n GLN 97 Ca 0.03 0.23 0.12 0.00 -0.01 0.00 0.00 57.00 57.37 3k4m n GLN 97 Cb 0.13 -1.63 0.09 0.00 1.02 0.00 0.00 30.24 29.85 3k4m n GLN 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3k4m n LYS 98 N -1.79 1.14 -2.68 -1.09 5.02 -0.72 -4.43 118.16 113.61 3k4m n LYS 98 Ca 0.04 -0.90 -0.09 0.00 -2.02 0.00 0.00 58.31 55.34 3k4m n LYS 98 Cb 0.26 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.82 3k4m n LYS 98 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3k4m n ASN 99 N -0.15 1.32 -0.12 4.39 3.02 0.51 -4.97 115.26 119.26 3k4m n ASN 99 Ca 0.10 -2.71 0.26 0.00 -0.03 0.00 0.00 54.58 52.20 3k4m n ASN 99 Cb 0.44 -0.48 0.72 0.00 -0.61 0.00 0.00 39.78 39.85 3k4m n ASN 99 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3k4m h ILE 100 N 2.91 0.55 -0.00 2.41 -0.00 -1.07 0.18 117.51 122.48 3k4m h ILE 100 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.76 3k4m h ILE 100 Cb 1.18 0.58 0.00 0.00 -0.00 0.00 0.00 36.82 38.58 3k4m h ILE 100 CO 0.48 0.00 -0.04 0.47 -0.00 0.00 0.00 178.15 179.06 3k4m n ASP 101 N -4.21 0.11 0.07 2.19 8.00 -1.26 -1.64 116.55 119.82 3k4m n ASP 101 Ca 0.16 -0.12 0.13 0.00 0.71 0.00 0.00 54.79 55.67 3k4m n ASP 101 Cb 0.88 -0.26 0.47 0.00 -0.02 0.00 0.00 41.12 42.19 3k4m n ASP 101 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3k4m n LYS 102 N -1.27 0.17 0.17 -1.24 4.76 0.05 -3.66 118.16 117.15 3k4m n LYS 102 Ca 0.13 0.17 0.13 0.00 -2.87 0.00 0.00 58.31 55.87 3k4m n LYS 102 Cb 0.27 -1.71 0.34 0.00 -1.84 0.00 0.00 35.03 32.09 3k4m n LYS 102 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3k4m h PHE 103 N 0.00 0.00 -0.59 2.13 3.57 -1.46 -2.58 116.94 118.01 3k4m h PHE 103 Ca 0.00 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 3k4m h PHE 103 Cb 0.62 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 3k4m h PHE 103 CO 0.00 0.00 0.43 0.28 -2.23 0.00 0.00 178.31 176.79 3k4m h VAL 104 N 0.00 0.68 -0.02 1.41 2.07 -1.75 0.10 116.25 118.75 3k4m h VAL 104 Ca 0.00 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.32 3k4m h VAL 104 Cb 0.79 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3k4m h VAL 104 CO 0.00 0.00 -0.86 0.78 0.02 0.00 0.00 177.57 177.51 3k4m h ASN 105 N 0.00 0.40 -0.40 0.57 4.21 -1.72 -1.95 115.58 116.69 3k4m h ASN 105 Ca 0.28 -0.30 -0.03 0.00 1.21 0.00 0.00 56.30 57.46 3k4m h ASN 105 Cb 1.14 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 38.20 3k4m h ASN 105 CO -0.00 1.08 0.14 0.58 -1.29 0.00 0.00 177.43 177.94 3k4m h VAL 106 N 0.19 1.20 -0.04 2.81 2.07 -0.94 -1.11 116.25 120.43 3k4m h VAL 106 Ca -0.05 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.83 3k4m h VAL 106 Cb 1.47 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3k4m h VAL 106 CO 0.14 0.23 -0.01 0.40 0.02 0.00 0.00 177.57 178.35 3k4m h ILE 107 N 0.50 0.95 -0.81 4.57 2.04 -1.25 -2.63 117.51 120.88 3k4m h ILE 107 Ca 0.13 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.04 3k4m h ILE 107 Cb 0.22 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3k4m h ILE 107 CO -0.01 0.00 0.53 1.56 0.00 0.00 0.00 178.15 180.23 3k4m h GLN 108 N -0.01 0.92 0.00 2.37 4.20 -1.14 -2.00 115.11 119.45 3k4m h GLN 108 Ca 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3k4m h GLN 108 Cb 0.04 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.61 3k4m h GLN 108 CO -0.05 0.61 0.00 0.78 -0.67 0.00 0.00 178.83 179.50 3k4m h GLY 109 N 0.94 0.00 -0.93 3.46 0.00 -0.83 -2.99 103.07 102.73 3k4m h GLY 109 Ca 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 3k4m h GLY 109 CO -0.11 0.00 -0.40 0.61 0.00 0.00 0.00 176.54 176.64 3k4m n GLN 110 N -2.52 0.98 -3.68 4.80 10.64 -0.78 -4.92 117.38 121.90 3k4m n GLN 110 Ca 0.01 -2.47 -0.39 0.00 -1.83 0.00 0.00 57.00 52.32 3k4m n GLN 110 Cb 0.23 -1.16 -0.11 0.00 -0.86 0.00 0.00 30.24 28.35 3k4m n GLN 110 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3k4m s LEU 111 N -2.10 5.14 -0.26 2.61 1.43 -1.03 -4.05 118.68 120.42 3k4m s LEU 111 Ca 0.29 -1.70 -0.11 0.00 -1.03 0.00 0.00 54.13 51.58 3k4m s LEU 111 Cb 0.28 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 3k4m s LEU 111 CO -0.04 -0.54 0.20 -0.04 0.23 0.00 0.00 176.35 176.17 3k4m s MET 112 N 1.31 4.02 0.41 1.70 -1.94 0.11 -4.81 119.30 120.12 3k4m s MET 112 Ca 0.04 -0.24 -0.27 0.00 -1.71 0.00 0.00 55.69 53.51 3k4m s MET 112 Cb -0.23 -3.60 -0.10 0.00 2.01 0.00 0.00 34.83 32.92 3k4m s MET 112 CO -0.01 -0.06 1.43 0.43 -0.01 0.00 0.00 175.02 176.80 3k4m n SER 113 N 4.67 3.41 -0.05 3.03 7.64 -1.26 -0.04 113.62 131.02 3k4m n SER 113 Ca -0.14 1.17 -0.14 0.00 1.01 0.00 0.00 58.87 60.77 3k4m n SER 113 Cb 0.52 -1.59 -0.07 0.00 -1.01 0.00 0.00 64.21 62.05 3k4m n SER 113 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3k4m h VAL 114 N 2.55 1.36 -1.77 0.44 2.07 -1.63 -3.45 116.25 115.82 3k4m h VAL 114 Ca -0.50 -1.52 -0.12 0.00 0.82 0.00 0.00 66.70 65.38 3k4m h VAL 114 Cb 1.26 1.97 -0.29 0.00 -1.52 0.00 0.00 31.29 32.71 3k4m h VAL 114 CO 0.62 0.45 -0.45 -0.55 0.02 0.00 0.00 177.57 177.66 3k4m s SER 115 N -6.37 0.03 -0.33 0.57 0.15 -1.26 -4.61 113.70 101.88 3k4m s SER 115 Ca -0.13 0.29 -0.08 0.00 0.70 0.00 0.00 55.95 56.72 3k4m s SER 115 Cb 0.06 1.25 0.02 0.00 -1.71 0.00 0.00 66.02 65.64 3k4m s SER 115 CO 0.79 -0.30 0.13 -0.69 1.20 0.00 0.00 173.24 174.37 3k4m s VAL 116 N 2.59 4.15 0.84 4.45 1.01 -1.26 -4.74 120.40 127.43 3k4m s VAL 116 Ca 0.14 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 3k4m s VAL 116 Cb -0.15 -3.26 0.10 0.00 0.00 0.00 0.00 36.38 33.07 3k4m s VAL 116 CO -0.17 -0.10 1.10 -2.16 0.00 0.00 0.00 175.10 173.76 3k4m s PRO 117 N 1.49 1.68 0.30 2.72 0.04 -1.26 0.66 135.00 140.63 3k4m s PRO 117 Ca 0.01 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 61.84 3k4m s PRO 117 Cb -0.19 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 3k4m s PRO 117 CO 0.04 -2.02 1.52 0.08 0.04 0.00 0.00 177.00 176.66 3k4m s VAL 118 N -2.87 2.25 0.11 -0.36 1.01 -1.25 -4.67 120.40 114.61 3k4m s VAL 118 Ca 0.63 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 3k4m s VAL 118 Cb -0.18 -3.14 -0.06 0.00 0.00 0.00 0.00 36.38 33.00 3k4m s VAL 118 CO 0.57 0.04 1.02 0.21 0.00 0.00 0.00 175.10 176.94 3k4m s ASN 119 N 0.28 7.38 -0.11 3.32 3.84 -1.26 -4.94 114.94 123.45 3k4m s ASN 119 Ca 0.59 1.88 0.14 0.00 0.21 0.00 0.00 52.86 55.69 3k4m s ASN 119 Cb -0.46 -2.59 0.28 0.00 -0.55 0.00 0.00 41.25 37.93 3k4m s ASN 119 CO 0.50 -0.16 1.14 0.35 -2.79 0.00 0.00 177.10 176.14 3k4m n THR 120 N 2.88 1.40 -2.24 -5.21 -2.24 -1.26 -4.83 114.28 102.78 3k4m n THR 120 Ca 0.03 -1.93 -0.39 0.00 -2.27 0.00 0.00 64.05 59.49 3k4m n THR 120 Cb 0.48 0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 3k4m n THR 120 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4m s LEU 121 N -2.10 4.27 -0.37 3.22 1.43 -1.26 -5.00 118.68 118.87 3k4m s LEU 121 Ca 0.27 2.45 -0.13 0.00 -1.03 0.00 0.00 54.13 55.70 3k4m s LEU 121 Cb 0.26 -3.90 0.01 0.00 0.03 0.00 0.00 46.19 42.59 3k4m s LEU 121 CO -0.02 -0.63 0.24 -0.69 0.23 0.00 0.00 176.35 175.48 3k4m s VAL 122 N -1.31 5.04 -0.34 -1.59 1.01 -1.26 -5.03 120.40 116.92 3k4m s VAL 122 Ca 0.54 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 3k4m s VAL 122 Cb -0.34 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.35 3k4m s VAL 122 CO 0.43 -0.15 0.16 -0.69 0.00 0.00 0.00 175.10 174.85 3k4m s VAL 123 N 1.66 4.35 -0.07 2.92 1.01 -1.26 -4.94 120.40 124.07 3k4m s VAL 123 Ca 0.05 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.33 3k4m s VAL 123 Cb -0.18 -3.36 0.15 0.00 0.00 0.00 0.00 36.38 32.99 3k4m s VAL 123 CO 0.09 -0.11 1.04 -0.90 0.00 0.00 0.00 175.10 175.21 3k4m n ASP 124 N 4.94 1.67 -0.60 3.32 5.75 -1.26 -4.55 116.55 125.83 3k4m n ASP 124 Ca -0.13 -2.49 0.08 0.00 -0.01 0.00 0.00 54.79 52.24 3k4m n ASP 124 Cb 0.47 -0.26 0.21 0.00 -1.03 0.00 0.00 41.12 40.50 3k4m n ASP 124 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3k4m n THR 125 N -0.86 2.16 -1.56 2.12 -2.24 -1.26 -5.02 114.28 107.62 3k4m n THR 125 Ca 0.08 -2.18 -0.36 0.00 -2.27 0.00 0.00 64.05 59.32 3k4m n THR 125 Cb 0.55 -0.26 0.08 0.00 -2.10 0.00 0.00 70.33 68.60 3k4m n THR 125 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3k4m n LEU 126 N -0.95 4.96 -4.76 3.22 4.77 -1.26 -4.97 117.00 118.01 3k4m n LEU 126 Ca 0.20 0.76 -0.41 0.00 -0.03 0.00 0.00 56.01 56.54 3k4m n LEU 126 Cb 0.80 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.38 3k4m n LEU 126 CO 0.09 -1.44 1.03 -0.55 -1.33 0.00 0.00 177.39 175.20 3k4m s SER 127 N -1.50 6.68 0.59 -1.43 0.15 -1.26 -4.89 113.70 112.03 3k4m s SER 127 Ca 0.79 2.73 0.29 0.00 0.70 0.00 0.00 55.95 60.47 3k4m s SER 127 Cb -0.37 -2.65 1.28 0.00 -1.71 0.00 0.00 66.02 62.58 3k4m s SER 127 CO 0.44 -0.63 1.65 -0.65 1.20 0.00 0.00 173.24 175.25 3k4m h PRO 128 N 3.76 0.00 0.00 5.44 0.11 -2.00 0.49 132.00 139.80 3k4m h PRO 128 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3k4m h PRO 128 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3k4m h PRO 128 CO 0.68 0.00 -0.23 0.25 -0.21 0.00 0.00 178.00 178.50 3k4m n THR 129 N -3.55 0.35 -2.78 -1.15 -2.24 -1.26 -4.88 114.28 98.78 3k4m n THR 129 Ca 0.17 -0.20 -0.36 0.00 -2.27 0.00 0.00 64.05 61.38 3k4m n THR 129 Cb 1.09 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.90 3k4m n THR 129 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3k4m s SER 130 N -4.00 7.26 0.32 3.42 0.01 0.16 -4.98 113.70 115.90 3k4m s SER 130 Ca 0.10 1.82 -0.28 0.00 1.31 0.00 0.00 55.95 58.90 3k4m s SER 130 Cb 0.14 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.70 3k4m s SER 130 CO 0.63 -0.13 1.22 0.86 0.41 0.00 0.00 173.24 176.23 3k4m s TRP 131 N -1.70 3.23 0.03 2.43 -0.00 -1.26 -4.94 118.94 116.72 3k4m s TRP 131 Ca 0.52 1.53 0.02 0.00 -0.00 0.00 0.00 56.10 58.17 3k4m s TRP 131 Cb -0.17 -3.51 -0.02 0.00 -0.00 0.00 0.00 33.47 29.77 3k4m s TRP 131 CO 0.22 -1.34 -0.06 -1.14 -0.00 0.00 0.00 176.95 174.63 3k4m s GLN 132 N -1.75 0.44 0.35 5.86 0.74 -1.26 -5.12 119.66 118.92 3k4m s GLN 132 Ca 0.49 -0.62 -0.25 0.00 0.05 0.00 0.00 55.36 55.02 3k4m s GLN 132 Cb -0.36 -0.20 -0.10 0.00 1.10 0.00 0.00 33.01 33.46 3k4m s GLN 132 CO 0.47 0.03 0.97 0.00 -0.55 0.00 0.00 175.29 176.21 3k4m s ALA 133 N -1.19 3.17 -0.64 1.58 0.00 -1.26 -4.96 121.76 118.46 3k4m s ALA 133 Ca -0.10 0.56 0.24 0.00 0.00 0.00 0.00 51.96 52.67 3k4m s ALA 133 Cb -0.09 -3.20 0.28 0.00 0.00 0.00 0.00 23.12 20.11 3k4m s ALA 133 CO -0.00 0.07 1.26 0.43 0.00 0.00 0.00 175.76 177.52 3k4m n SER 134 N 0.33 0.67 -3.99 0.00 7.64 -1.26 -4.97 113.62 112.03 3k4m n SER 134 Ca 0.03 0.04 -0.08 0.00 1.01 0.00 0.00 58.87 59.86 3k4m n SER 134 Cb 0.50 0.31 -0.10 0.00 -1.01 0.00 0.00 64.21 63.91 3k4m n SER 134 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3k4m s THR 135 N -3.17 0.16 -1.18 0.44 -4.23 -1.26 -5.07 115.64 101.32 3k4m s THR 135 Ca 0.06 -1.28 -0.20 0.00 -1.18 0.00 0.00 61.69 59.09 3k4m s THR 135 Cb 0.14 -0.93 -0.03 0.00 1.34 0.00 0.00 72.50 73.01 3k4m s THR 135 CO 0.74 -0.71 1.91 0.49 -0.54 0.00 0.00 174.62 176.52 3k4m n PHE 136 N 0.77 3.28 -1.68 3.99 3.72 -1.26 -4.95 117.46 121.34 3k4m n PHE 136 Ca -0.19 -2.17 -0.29 0.00 -0.05 0.00 0.00 57.45 54.75 3k4m n PHE 136 Cb 0.58 -2.45 0.10 0.00 -0.94 0.00 0.00 39.48 36.77 3k4m n PHE 136 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3k4m s PHE 137 N 6.71 2.85 -0.31 1.38 -0.71 -1.26 -4.88 117.98 121.75 3k4m s PHE 137 Ca 0.59 0.96 -0.29 0.00 -1.04 0.00 0.00 56.93 57.15 3k4m s PHE 137 Cb 0.06 -3.27 -0.02 0.00 -1.21 0.00 0.00 43.02 38.58 3k4m s PHE 137 CO 0.08 -1.85 1.76 0.08 -1.34 0.00 0.00 175.22 173.95 3k4m s VAL 138 N -3.32 3.52 0.09 -2.49 1.01 -1.26 -4.79 120.40 113.17 3k4m s VAL 138 Ca 0.61 0.54 0.02 0.00 0.00 0.00 0.00 61.98 63.16 3k4m s VAL 138 Cb -0.13 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 3k4m s VAL 138 CO 0.52 -0.40 -0.07 -0.13 0.00 0.00 0.00 175.10 175.02 3k4m s ARG 139 N 5.45 0.79 -1.32 2.72 0.52 -1.26 -4.96 118.95 120.89 3k4m s ARG 139 Ca 0.78 -1.21 -0.25 0.00 -0.52 0.00 0.00 55.73 54.54 3k4m s ARG 139 Cb -0.23 -0.28 0.03 0.00 0.52 0.00 0.00 34.95 34.99 3k4m s ARG 139 CO 0.33 0.01 0.47 0.09 0.02 0.00 0.00 175.30 176.22 3k4m n ASN 140 N 0.31 -2.52 0.00 0.23 3.02 -1.26 -1.54 115.26 113.49 3k4m n ASN 140 Ca -0.15 -1.30 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 3k4m n ASN 140 Cb 0.59 -1.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 3k4m n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k4m n GLY 141 N -2.26 1.47 3.81 7.41 0.00 -1.26 -5.00 105.19 109.37 3k4m n GLY 141 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3k4m n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k4m s SER 142 N -3.24 7.03 -0.59 1.61 1.04 -0.59 -4.79 113.70 114.17 3k4m s SER 142 Ca 0.00 1.61 -0.21 0.00 0.48 0.00 0.00 55.95 57.83 3k4m s SER 142 Cb 0.00 -2.50 0.07 0.00 0.10 0.00 0.00 66.02 63.69 3k4m s SER 142 CO 0.00 -0.20 0.82 0.21 0.98 0.00 0.00 173.24 175.05 3k4m s ASN 143 N -1.98 6.22 0.12 7.02 2.47 0.21 -4.71 114.94 124.29 3k4m s ASN 143 Ca 0.55 -0.95 0.12 0.00 0.42 0.00 0.00 52.86 53.00 3k4m s ASN 143 Cb -0.13 -2.36 0.58 0.00 -1.45 0.00 0.00 41.25 37.89 3k4m s ASN 143 CO 0.18 -1.19 1.37 -0.81 -3.72 0.00 0.00 177.10 172.93 3k4m n PRO 144 N 6.97 0.07 0.19 0.43 -0.04 -1.26 -1.73 135.00 139.61 3k4m n PRO 144 Ca -0.05 0.48 0.07 0.00 -0.04 0.00 0.00 63.50 63.96 3k4m n PRO 144 Cb 0.45 -1.68 0.24 0.00 -0.04 0.00 0.00 33.50 32.47 3k4m n PRO 144 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3k4m h GLU 145 N 0.00 0.00 -6.00 0.54 4.39 -1.95 -3.46 114.58 108.10 3k4m h GLU 145 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 3k4m h GLU 145 Cb 0.10 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.68 3k4m h GLU 145 CO 0.00 0.32 0.71 -1.14 -1.16 0.00 0.00 179.01 177.74 3k4m s GLN 146 N -3.31 4.23 -0.28 2.33 2.00 -0.71 -4.99 119.66 118.94 3k4m s GLN 146 Ca 0.03 1.23 -0.29 0.00 -2.00 0.00 0.00 55.36 54.33 3k4m s GLN 146 Cb 0.08 -3.64 -0.00 0.00 0.80 0.00 0.00 33.01 30.25 3k4m s GLN 146 CO 0.69 -0.60 1.35 0.34 -0.50 0.00 0.00 175.29 176.56 3k4m s ASP 147 N 1.25 6.64 0.52 6.67 -1.08 -1.26 -4.64 116.67 124.77 3k4m s ASP 147 Ca 0.41 1.31 0.26 0.00 -0.52 0.00 0.00 52.55 54.02 3k4m s ASP 147 Cb -0.15 -2.54 1.44 0.00 -1.46 0.00 0.00 42.92 40.22 3k4m s ASP 147 CO 0.07 -1.08 2.09 1.55 0.52 0.00 0.00 175.17 178.31 3k4m h PRO 148 N 9.45 0.00 -0.01 4.34 0.13 -1.96 -2.39 132.00 141.56 3k4m h PRO 148 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3k4m h PRO 148 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3k4m h PRO 148 CO 1.02 0.11 -0.09 1.28 -0.23 0.00 0.00 178.00 180.10 3k4m n LEU 149 N -3.75 0.88 -2.23 1.56 4.77 -1.26 -3.84 117.00 113.13 3k4m n LEU 149 Ca -0.02 -0.23 -0.12 0.00 -0.03 0.00 0.00 56.01 55.61 3k4m n LEU 149 Cb 0.22 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.27 3k4m n LEU 149 CO 0.30 0.15 0.11 0.54 -1.33 0.00 0.00 177.39 177.17 3k4m n ARG 150 N -0.50 2.62 -3.53 3.23 1.74 -0.90 -4.96 116.66 114.36 3k4m n ARG 150 Ca 0.17 -3.77 -0.20 0.00 -0.77 0.00 0.00 57.85 53.27 3k4m n ARG 150 Cb 0.30 -1.89 -0.03 0.00 -1.02 0.00 0.00 32.46 29.83 3k4m n ARG 150 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3k4m s ASN 151 N -3.59 5.23 -0.92 0.55 3.84 -1.21 -0.66 114.94 118.17 3k4m s ASN 151 Ca 0.40 -0.62 -0.02 0.00 0.21 0.00 0.00 52.86 52.83 3k4m s ASN 151 Cb 0.37 -0.70 0.24 0.00 -0.55 0.00 0.00 41.25 40.61 3k4m s ASN 151 CO -0.01 -0.59 0.87 0.18 -2.79 0.00 0.00 177.10 174.76 3k4m n LEU 152 N -1.56 4.49 0.26 3.21 4.77 -1.26 -4.76 117.00 122.15 3k4m n LEU 152 Ca 0.03 -5.15 0.18 0.00 -0.03 0.00 0.00 56.01 51.03 3k4m n LEU 152 Cb 0.61 -1.13 0.92 0.00 -2.33 0.00 0.00 43.42 41.49 3k4m n LEU 152 CO 0.42 1.58 1.15 0.77 -1.33 0.00 0.00 177.39 179.98 3k4m h SER 153 N 5.90 0.00 0.82 -1.43 4.64 -1.82 0.43 113.55 122.08 3k4m h SER 153 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3k4m h SER 153 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3k4m h SER 153 CO 0.91 0.00 -0.34 0.61 -0.87 0.00 0.00 176.83 177.14 3k4m n GLY 154 N -1.31 -1.40 3.75 -0.77 0.00 0.49 -4.83 105.19 101.11 3k4m n GLY 154 Ca -0.01 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 3k4m n GLY 154 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k4m s GLN 155 N -3.05 4.40 0.12 1.61 -1.52 0.14 -3.68 119.66 117.68 3k4m s GLN 155 Ca 0.11 2.08 -0.09 0.00 -1.95 0.00 0.00 55.36 55.51 3k4m s GLN 155 Cb 0.16 -3.15 -0.00 0.00 -0.22 0.00 0.00 33.01 29.80 3k4m s GLN 155 CO 0.65 -0.18 0.22 0.00 -0.25 0.00 0.00 175.29 175.73 3k4m s ALA 156 N -0.42 -0.12 0.26 6.09 0.00 -1.26 -1.68 121.76 124.63 3k4m s ALA 156 Ca 0.53 -0.73 0.07 0.00 0.00 0.00 0.00 51.96 51.82 3k4m s ALA 156 Cb -0.37 0.63 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 3k4m s ALA 156 CO 0.43 -0.56 -0.08 0.14 0.00 0.00 0.00 175.76 175.69 3k4m s VAL 157 N -3.90 1.67 -0.04 0.00 -7.23 0.94 -4.80 120.40 107.04 3k4m s VAL 157 Ca 0.10 -2.15 0.02 0.00 -1.81 0.00 0.00 61.98 58.14 3k4m s VAL 157 Cb 0.04 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.65 3k4m s VAL 157 CO -0.07 -0.38 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.36 3k4m s THR 158 N -3.00 0.83 -0.51 5.32 2.01 -1.26 0.08 115.64 119.11 3k4m s THR 158 Ca 0.28 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.97 3k4m s THR 158 Cb 0.02 -0.76 0.15 0.00 0.01 0.00 0.00 72.50 71.93 3k4m s THR 158 CO 0.11 0.27 0.34 -0.13 -0.69 0.00 0.00 174.62 174.52 3k4m s ARG 159 N 0.46 1.52 0.10 4.92 0.52 -1.26 -4.66 118.95 120.55 3k4m s ARG 159 Ca -0.08 -2.42 -0.18 0.00 -0.52 0.00 0.00 55.73 52.53 3k4m s ARG 159 Cb -0.12 -2.39 0.04 0.00 0.52 0.00 0.00 34.95 33.00 3k4m s ARG 159 CO 0.01 -1.26 0.43 0.14 0.02 0.00 0.00 175.30 174.64 3k4m s VAL 160 N -0.25 0.06 0.28 3.52 -7.23 -1.26 -4.18 120.40 111.34 3k4m s VAL 160 Ca 0.24 -0.48 -0.29 0.00 -1.81 0.00 0.00 61.98 59.63 3k4m s VAL 160 Cb -0.11 -1.09 -0.10 0.00 0.56 0.00 0.00 36.38 35.65 3k4m s VAL 160 CO -0.10 -0.27 1.32 -0.69 -0.31 0.00 0.00 175.10 175.05 3k4m s VAL 161 N -3.34 2.88 0.00 1.32 1.01 -0.66 -1.62 120.40 119.99 3k4m s VAL 161 Ca -0.00 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.79 3k4m s VAL 161 Cb 0.01 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3k4m s VAL 161 CO -0.09 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3k4m n GLY 162 N 1.46 2.17 7.00 4.51 0.00 -0.28 -4.31 105.19 115.74 3k4m n GLY 162 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3k4m n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4m n GLY 163 N -2.00 2.28 0.22 -0.02 0.00 -0.64 -2.51 105.19 102.53 3k4m n GLY 163 Ca 0.00 -0.41 0.16 0.00 0.00 0.00 0.00 46.02 45.76 3k4m n GLY 163 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3k4m h MET 164 N 0.00 0.00 0.00 1.61 2.86 -1.88 -2.71 114.93 114.81 3k4m h MET 164 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3k4m h MET 164 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3k4m h MET 164 CO 0.00 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.84 3k4m n SER 165 N -2.68 0.00 0.00 1.22 3.41 -1.04 -1.62 113.62 112.90 3k4m n SER 165 Ca 0.00 0.02 0.14 0.00 -0.26 0.00 0.00 58.87 58.77 3k4m n SER 165 Cb 0.20 -0.26 0.62 0.00 -0.26 0.00 0.00 64.21 64.51 3k4m n SER 165 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3k4m n THR 166 N -1.26 0.05 -0.74 6.66 -2.24 -1.02 -4.28 114.28 111.45 3k4m n THR 166 Ca 0.07 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 3k4m n THR 166 Cb 0.11 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 3k4m n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4m n HIS 167 N -1.48 0.00 -1.40 4.78 1.44 -0.64 -1.14 115.22 116.79 3k4m n HIS 167 Ca 0.08 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.48 3k4m n HIS 167 Cb 0.32 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.53 3k4m n HIS 167 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 3k4m s TRP 168 N -0.01 2.64 -0.95 -1.40 1.48 -0.82 -4.93 118.94 114.95 3k4m s TRP 168 Ca 0.00 1.26 0.24 0.00 -1.06 0.00 0.00 56.10 56.54 3k4m s TRP 168 Cb 0.00 -3.10 1.00 0.00 -1.16 0.00 0.00 33.47 30.21 3k4m s TRP 168 CO 0.00 -1.94 1.77 2.41 -4.06 0.00 0.00 176.95 175.12 3k4m n THR 169 N -3.57 0.40 -1.03 0.66 -1.04 -1.26 -4.94 114.28 103.50 3k4m n THR 169 Ca 0.07 0.06 -0.01 0.00 -2.04 0.00 0.00 64.05 62.13 3k4m n THR 169 Cb 0.55 -0.69 -0.00 0.00 -1.82 0.00 0.00 70.33 68.37 3k4m n THR 169 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k4m s ALA 171 N -1.73 3.50 -0.58 0.00 0.00 -1.26 -0.54 121.76 121.15 3k4m s ALA 171 Ca 0.00 0.32 0.06 0.00 0.00 0.00 0.00 51.96 52.34 3k4m s ALA 171 Cb 0.00 -3.71 0.27 0.00 0.00 0.00 0.00 23.12 19.69 3k4m s ALA 171 CO 0.00 -1.50 0.76 0.25 0.00 0.00 0.00 175.76 175.27 3k4m n THR 172 N 5.82 1.95 -2.71 0.00 -2.24 0.41 -4.78 114.28 112.73 3k4m n THR 172 Ca 0.15 -5.09 -0.31 0.00 -2.27 0.00 0.00 64.05 56.52 3k4m n THR 172 Cb 0.46 -1.84 -0.03 0.00 -2.10 0.00 0.00 70.33 66.81 3k4m n THR 172 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3k4m s PRO 173 N -2.50 3.86 0.52 -0.78 0.04 -1.26 -4.80 135.00 130.08 3k4m s PRO 173 Ca 0.41 0.66 -0.19 0.00 0.04 0.00 0.00 61.00 61.92 3k4m s PRO 173 Cb 0.19 -2.30 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 3k4m s PRO 173 CO -0.06 -0.11 1.05 1.03 0.04 0.00 0.00 177.00 178.95 3k4m s ARG 174 N -3.87 3.63 0.09 4.56 0.52 -1.26 -4.68 118.95 117.94 3k4m s ARG 174 Ca 0.54 1.31 -0.24 0.00 -0.52 0.00 0.00 55.73 56.83 3k4m s ARG 174 Cb -0.10 -2.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.23 3k4m s ARG 174 CO 0.30 -0.57 0.72 -0.06 0.02 0.00 0.00 175.30 175.72 3k4m s PHE 175 N -2.14 3.80 0.98 -0.53 0.40 -1.26 -5.00 117.98 114.24 3k4m s PHE 175 Ca 0.66 1.47 -0.14 0.00 -0.60 0.00 0.00 56.93 58.32 3k4m s PHE 175 Cb -0.16 -2.73 0.18 0.00 0.51 0.00 0.00 43.02 40.82 3k4m s PHE 175 CO 0.26 0.41 1.14 0.16 0.70 0.00 0.00 175.22 177.89 3k4m s ASP 176 N -0.61 2.86 0.19 1.36 -4.77 -1.26 -4.84 116.67 109.61 3k4m s ASP 176 Ca 0.35 0.89 -0.17 0.00 -3.30 0.00 0.00 52.55 50.32 3k4m s ASP 176 Cb -0.21 -1.39 0.16 0.00 -1.09 0.00 0.00 42.92 40.40 3k4m s ASP 176 CO 0.23 -2.95 1.62 0.03 0.70 0.00 0.00 175.17 174.80 3k4m h ARG 177 N -1.77 -0.08 -1.09 2.11 3.08 -1.99 -1.58 114.38 113.07 3k4m h ARG 177 Ca -0.50 0.01 0.31 0.00 0.07 0.00 0.00 59.98 59.87 3k4m h ARG 177 Cb 1.32 0.02 -0.12 0.00 0.08 0.00 0.00 29.97 31.27 3k4m h ARG 177 CO 0.55 -0.05 0.67 1.49 -1.07 0.00 0.00 179.97 181.56 3k4m h GLU 178 N -0.08 0.33 -0.01 0.04 4.81 -1.97 0.21 114.58 117.90 3k4m h GLU 178 Ca 0.25 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3k4m h GLU 178 Cb 0.47 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3k4m h GLU 178 CO -0.60 0.22 -0.55 1.04 -0.73 0.00 0.00 179.01 178.39 3k4m n GLN 179 N -4.78 0.53 -4.26 1.92 6.02 -0.63 -4.81 117.38 111.38 3k4m n GLN 179 Ca 0.30 -0.39 -0.34 0.00 -0.01 0.00 0.00 57.00 56.56 3k4m n GLN 179 Cb 1.00 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.67 3k4m n GLN 179 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3k4m s ARG 180 N -2.73 3.51 0.61 -1.09 3.52 0.73 -4.51 118.95 118.99 3k4m s ARG 180 Ca 0.16 -0.42 -0.18 0.00 -0.13 0.00 0.00 55.73 55.16 3k4m s ARG 180 Cb 0.18 -2.97 -0.03 0.00 -1.56 0.00 0.00 34.95 30.58 3k4m s ARG 180 CO 0.66 0.43 1.17 -1.25 -0.81 0.00 0.00 175.30 175.50 3k4m s PRO 181 N -0.12 2.94 0.03 5.12 0.04 -1.26 -4.93 135.00 136.82 3k4m s PRO 181 Ca 0.05 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 3k4m s PRO 181 Cb -0.13 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3k4m s PRO 181 CO 0.02 -1.19 0.93 -0.51 0.04 0.00 0.00 177.00 176.28 3k4m s LEU 182 N -4.26 4.41 -0.03 -3.56 1.43 -1.26 -4.94 118.68 110.47 3k4m s LEU 182 Ca 0.74 1.63 0.21 0.00 -1.03 0.00 0.00 54.13 55.68 3k4m s LEU 182 Cb -0.27 -3.49 -0.32 0.00 0.03 0.00 0.00 46.19 42.14 3k4m s LEU 182 CO 0.34 -0.17 0.50 0.18 0.23 0.00 0.00 176.35 177.43 3k4m n LEU 183 N 3.48 0.08 -3.94 1.79 4.77 -1.26 -4.94 117.00 116.99 3k4m n LEU 183 Ca 0.03 -0.04 -0.23 0.00 -0.03 0.00 0.00 56.01 55.74 3k4m n LEU 183 Cb 0.50 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.43 3k4m n LEU 183 CO 0.51 0.02 -0.44 -0.69 -1.33 0.00 0.00 177.39 175.46 3k4m s VAL 184 N -3.43 0.86 -0.01 4.08 1.01 -1.26 -5.04 120.40 116.62 3k4m s VAL 184 Ca -0.06 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 3k4m s VAL 184 Cb 0.14 -0.85 -0.06 0.00 0.00 0.00 0.00 36.38 35.61 3k4m s VAL 184 CO 0.88 0.31 0.52 -1.59 0.00 0.00 0.00 175.10 175.22 3k4m s LYS 185 N 1.07 4.21 -1.18 2.72 -2.85 -1.26 -4.34 119.74 118.11 3k4m s LYS 185 Ca -0.08 0.61 -0.04 0.00 -1.00 0.00 0.00 55.97 55.46 3k4m s LYS 185 Cb -0.14 -3.31 0.00 0.00 -2.06 0.00 0.00 37.83 32.32 3k4m s LYS 185 CO -0.01 0.46 1.01 -0.25 0.10 0.00 0.00 175.35 176.66 3k4m n ASP 186 N 2.48 -4.02 -2.69 0.03 8.00 -1.26 -4.91 116.55 114.18 3k4m n ASP 186 Ca -0.09 -0.53 -0.05 0.00 0.71 0.00 0.00 54.79 54.82 3k4m n ASP 186 Cb 0.51 -4.72 0.09 0.00 -0.02 0.00 0.00 41.12 36.98 3k4m n ASP 186 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3k4m n ASP 187 N -2.81 -1.67 -0.31 -2.24 -0.08 -1.26 -5.05 116.55 103.13 3k4m n ASP 187 Ca -0.13 -2.39 0.31 0.00 -1.51 0.00 0.00 54.79 51.07 3k4m n ASP 187 Cb 0.61 1.29 0.57 0.00 2.34 0.00 0.00 41.12 45.92 3k4m n ASP 187 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3k4m n ALA 188 N 0.84 0.99 0.02 -1.67 0.00 -1.26 -1.14 120.51 118.29 3k4m n ALA 188 Ca 0.00 0.98 -0.16 0.00 0.00 0.00 0.00 53.44 54.26 3k4m n ALA 188 Cb 0.72 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 19.14 3k4m n ALA 188 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3k4m h ASP 189 N 0.00 0.77 0.83 0.00 5.19 -1.96 -0.35 116.42 120.89 3k4m h ASP 189 Ca 0.82 -0.55 -0.13 0.00 -0.62 0.00 0.00 57.03 56.55 3k4m h ASP 189 Cb 2.16 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 41.42 3k4m h ASP 189 CO -0.74 1.34 -0.60 0.00 -3.12 0.00 0.00 179.24 176.12 3k4m h ALA 190 N 0.63 0.85 -0.52 3.45 0.00 -1.54 -1.62 119.26 120.52 3k4m h ALA 190 Ca -0.07 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 3k4m h ALA 190 Cb 1.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 3k4m h ALA 190 CO 0.16 0.75 0.28 0.22 0.00 0.00 0.00 179.25 180.66 3k4m h ASP 191 N 0.00 0.65 -0.62 0.00 3.58 -0.99 -1.94 116.42 117.10 3k4m h ASP 191 Ca -0.01 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.31 3k4m h ASP 191 Cb 1.17 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 42.03 3k4m h ASP 191 CO 0.08 0.56 0.23 0.44 -2.88 0.00 0.00 179.24 177.66 3k4m h ASP 192 N 0.69 0.87 -0.50 2.28 3.32 -0.84 -1.70 116.42 120.53 3k4m h ASP 192 Ca 0.18 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3k4m h ASP 192 Cb 0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3k4m h ASP 192 CO -0.03 0.82 0.12 0.00 -1.72 0.00 0.00 179.24 178.42 3k4m h ALA 193 N 1.08 0.66 -0.69 3.45 0.00 -1.09 0.74 119.26 123.41 3k4m h ALA 193 Ca 0.20 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k4m h ALA 193 Cb 0.23 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3k4m h ALA 193 CO -0.01 0.36 0.43 1.49 0.00 0.00 0.00 179.25 181.52 3k4m h GLU 194 N 0.69 0.93 -0.28 0.00 4.57 -1.30 -1.19 114.58 118.01 3k4m h GLU 194 Ca 0.16 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.14 3k4m h GLU 194 Cb 0.34 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3k4m h GLU 194 CO 0.00 0.65 -0.34 -1.49 -1.18 0.00 0.00 179.01 176.65 3k4m h TRP 195 N 0.94 0.70 -0.26 0.92 4.06 -0.88 -1.39 115.95 120.05 3k4m h TRP 195 Ca 0.25 -0.18 -0.16 0.00 2.06 0.00 0.00 58.89 60.86 3k4m h TRP 195 Cb -0.06 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 27.94 3k4m h TRP 195 CO -0.02 0.86 -0.48 0.22 -3.56 0.00 0.00 178.44 175.46 3k4m h ASP 196 N 0.51 0.75 -0.24 -3.49 3.58 -0.74 -0.19 116.42 116.60 3k4m h ASP 196 Ca 0.06 -0.38 -0.10 0.00 0.42 0.00 0.00 57.03 57.03 3k4m h ASP 196 Cb 0.83 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 3k4m h ASP 196 CO 0.07 1.11 -0.26 -0.09 -2.88 0.00 0.00 179.24 177.19 3k4m h ARG 197 N 0.55 0.59 -0.24 0.28 2.43 -1.16 -1.51 114.38 115.32 3k4m h ARG 197 Ca 0.03 -0.32 -0.03 0.00 -0.81 0.00 0.00 59.98 58.85 3k4m h ARG 197 Cb 1.04 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3k4m h ARG 197 CO 0.10 0.92 0.05 -0.07 -1.51 0.00 0.00 179.97 179.46 3k4m h LEU 198 N 0.30 0.38 -1.12 3.80 3.38 -1.16 -2.74 115.31 118.15 3k4m h LEU 198 Ca 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3k4m h LEU 198 Cb 0.82 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3k4m h LEU 198 CO 0.06 0.53 0.43 1.88 0.09 0.00 0.00 178.44 181.43 3k4m h TYR 199 N 0.21 1.02 -0.67 1.13 0.05 -1.06 -1.62 116.97 116.02 3k4m h TYR 199 Ca 0.07 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 3k4m h TYR 199 Cb 0.31 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 3k4m h TYR 199 CO 0.02 0.70 0.26 1.15 -1.05 0.00 0.00 178.16 179.23 3k4m h THR 200 N 1.05 1.23 -0.21 -2.88 2.02 -1.21 0.15 112.91 113.06 3k4m h THR 200 Ca 0.27 -0.75 -0.20 0.00 0.77 0.00 0.00 66.41 66.50 3k4m h THR 200 Cb -0.00 0.44 0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3k4m h THR 200 CO -0.05 0.30 -0.66 0.50 0.37 0.00 0.00 175.52 175.98 3k4m h LYS 201 N 0.97 0.82 -0.46 6.66 3.64 -1.14 -2.40 116.57 124.66 3k4m h LYS 201 Ca 0.23 -0.60 -0.06 0.00 -1.27 0.00 0.00 60.65 58.94 3k4m h LYS 201 Cb 0.20 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3k4m h LYS 201 CO -0.02 1.22 0.03 0.00 -2.27 0.00 0.00 179.45 178.41 3k4m h ALA 202 N 0.60 1.18 -0.17 5.00 0.00 -1.11 -1.14 119.26 123.62 3k4m h ALA 202 Ca -0.02 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 3k4m h ALA 202 Cb 1.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3k4m h ALA 202 CO 0.14 0.54 -0.25 0.93 0.00 0.00 0.00 179.25 180.61 3k4m h GLU 203 N 0.70 0.32 -0.20 0.00 5.08 -0.57 -1.95 114.58 117.96 3k4m h GLU 203 Ca 0.14 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 3k4m h GLU 203 Cb 0.39 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3k4m h GLU 203 CO 0.01 0.55 -0.41 1.03 -1.00 0.00 0.00 179.01 179.19 3k4m h SER 204 N 0.29 0.50 -0.02 1.42 0.87 -0.88 0.43 113.55 116.15 3k4m h SER 204 Ca 0.05 -0.22 -0.23 0.00 -1.23 0.00 0.00 61.79 60.16 3k4m h SER 204 Cb 0.60 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.43 3k4m h SER 204 CO 0.04 0.85 -0.84 1.88 -0.53 0.00 0.00 176.83 178.24 3k4m h TYR 205 N 0.39 0.96 0.00 2.24 0.05 -0.72 -2.97 116.97 116.91 3k4m h TYR 205 Ca 0.03 -0.45 0.00 0.00 0.05 0.00 0.00 58.73 58.36 3k4m h TYR 205 Cb 0.89 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.49 3k4m h TYR 205 CO 0.03 1.27 -0.10 0.74 -1.05 0.00 0.00 178.16 179.06 3k4m h PHE 206 N 0.45 0.00 -4.44 4.88 0.04 -1.36 -3.34 116.94 113.17 3k4m h PHE 206 Ca -0.07 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.38 3k4m h PHE 206 Cb 1.46 0.00 0.09 0.00 2.20 0.00 0.00 35.95 39.70 3k4m h PHE 206 CO 0.08 0.00 -0.52 1.04 -0.60 0.00 0.00 178.31 178.31 3k4m n GLN 207 N -2.29 -5.52 -1.72 1.51 1.13 0.03 -4.18 117.38 106.34 3k4m n GLN 207 Ca 0.05 0.69 -0.43 0.00 -1.94 0.00 0.00 57.00 55.37 3k4m n GLN 207 Cb 0.44 -5.21 -0.01 0.00 0.11 0.00 0.00 30.24 25.57 3k4m n GLN 207 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3k4m n THR 208 N -4.42 1.60 -3.83 5.09 -1.04 -0.53 -2.81 114.28 108.33 3k4m n THR 208 Ca -0.03 -0.40 -0.06 0.00 -2.04 0.00 0.00 64.05 61.52 3k4m n THR 208 Cb 0.57 -1.70 -0.01 0.00 -1.82 0.00 0.00 70.33 67.36 3k4m n THR 208 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3k4m s GLY 209 N -0.00 -0.09 -0.17 3.41 0.00 -0.15 -4.90 107.32 105.43 3k4m s GLY 209 Ca 0.59 -0.24 0.15 0.00 0.00 0.00 0.00 44.72 45.22 3k4m s GLY 209 CO 0.57 -0.03 1.20 -1.30 0.00 0.00 0.00 173.10 173.54 3k4m n THR 210 N -0.47 1.70 -0.02 0.90 -2.24 -1.26 -0.94 114.28 111.94 3k4m n THR 210 Ca -0.05 -2.83 0.00 0.00 -2.27 0.00 0.00 64.05 58.90 3k4m n THR 210 Cb 0.59 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3k4m n THR 210 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k4m n ASP 211 N -0.68 0.02 0.24 3.42 5.75 -1.26 -4.70 116.55 119.34 3k4m n ASP 211 Ca 0.18 -0.25 0.16 0.00 -0.01 0.00 0.00 54.79 54.87 3k4m n ASP 211 Cb 0.83 0.42 0.63 0.00 -1.03 0.00 0.00 41.12 41.98 3k4m n ASP 211 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 3k4m h GLN 212 N 0.00 0.00 -0.12 0.11 7.50 -1.94 -2.83 115.11 117.83 3k4m h GLN 212 Ca 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 3k4m h GLN 212 Cb 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.52 3k4m h GLN 212 CO 0.00 0.00 -0.15 1.19 -1.50 0.00 0.00 178.83 178.37 3k4m n PHE 213 N -2.91 0.39 0.24 2.96 3.01 -1.26 -4.83 117.46 115.06 3k4m n PHE 213 Ca 0.01 -1.24 0.11 0.00 1.01 0.00 0.00 57.45 57.34 3k4m n PHE 213 Cb 0.30 -0.28 0.56 0.00 -0.01 0.00 0.00 39.48 40.05 3k4m n PHE 213 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3k4m h LYS 214 N 0.80 0.00 -0.66 -1.08 2.10 -1.82 -1.87 116.57 114.03 3k4m h LYS 214 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 3k4m h LYS 214 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3k4m h LYS 214 CO 0.12 0.19 0.00 0.39 -2.00 0.00 0.00 179.45 178.15 3k4m n GLU 215 N -3.46 3.44 -2.21 0.07 1.02 -1.26 -4.84 120.64 113.40 3k4m n GLU 215 Ca -0.01 -2.82 -0.42 0.00 -0.02 0.00 0.00 57.16 53.90 3k4m n GLU 215 Cb 0.36 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 3k4m n GLU 215 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3k4m s SER 216 N -0.95 6.85 0.09 1.62 0.15 -0.71 -4.92 113.70 115.83 3k4m s SER 216 Ca 0.50 2.16 -0.24 0.00 0.70 0.00 0.00 55.95 59.07 3k4m s SER 216 Cb 0.31 -2.57 -0.15 0.00 -1.71 0.00 0.00 66.02 61.90 3k4m s SER 216 CO 0.27 -0.70 1.73 0.40 1.20 0.00 0.00 173.24 176.14 3k4m h ILE 217 N 4.78 0.96 -0.61 6.45 2.04 -1.90 -2.12 117.51 127.11 3k4m h ILE 217 Ca -0.39 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3k4m h ILE 217 Cb 1.19 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 3k4m h ILE 217 CO 0.89 0.00 0.33 0.03 0.00 0.00 0.00 178.15 179.41 3k4m h ARG 218 N -0.07 0.84 0.28 2.37 3.08 -1.91 0.30 114.38 119.26 3k4m h ARG 218 Ca -0.01 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3k4m h ARG 218 Cb 0.05 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3k4m h ARG 218 CO 0.01 0.62 -0.13 1.25 -1.07 0.00 0.00 179.97 180.65 3k4m h HIS 219 N 0.85 -0.34 -0.11 3.04 2.76 -1.78 -2.42 115.15 117.14 3k4m h HIS 219 Ca 0.22 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.29 3k4m h HIS 219 Cb 0.02 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 3k4m h HIS 219 CO 0.01 -0.09 -0.35 -0.91 -1.30 0.00 0.00 177.93 175.28 3k4m h ASN 220 N -0.55 0.23 0.23 3.26 2.35 -0.79 0.21 115.58 120.52 3k4m h ASN 220 Ca -0.04 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 3k4m h ASN 220 Cb 0.40 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3k4m h ASN 220 CO 0.06 0.57 -0.12 0.25 -1.65 0.00 0.00 177.43 176.54 3k4m h LEU 221 N 0.20 -0.30 0.71 1.61 5.85 -0.32 0.39 115.31 123.45 3k4m h LEU 221 Ca 0.02 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3k4m h LEU 221 Cb 0.71 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 3k4m h LEU 221 CO 0.05 -0.20 -0.43 0.58 -0.34 0.00 0.00 178.44 178.10 3k4m h VAL 222 N -0.33 0.13 -0.39 1.05 2.07 -1.37 -2.69 116.25 114.72 3k4m h VAL 222 Ca -0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.57 3k4m h VAL 222 Cb 0.26 0.13 -0.09 0.00 -1.52 0.00 0.00 31.29 30.07 3k4m h VAL 222 CO 0.04 0.00 -0.34 0.25 0.02 0.00 0.00 177.57 177.54 3k4m h LEU 223 N -1.07 -1.11 -1.03 2.57 5.85 -0.56 -2.13 115.31 117.81 3k4m h LEU 223 Ca -0.09 0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 3k4m h LEU 223 Cb 0.86 0.52 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 3k4m h LEU 223 CO 0.10 -0.33 -0.04 0.78 -0.34 0.00 0.00 178.44 178.61 3k4m h ASN 224 N -0.26 0.61 -0.15 1.25 2.35 -0.27 -1.59 115.58 117.53 3k4m h ASN 224 Ca 0.17 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 3k4m h ASN 224 Cb 0.54 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 3k4m h ASN 224 CO -0.54 0.71 -0.09 0.50 -1.65 0.00 0.00 177.43 176.36 3k4m h LYS 225 N 0.60 0.32 -0.59 0.81 1.63 -1.05 -1.59 116.57 116.70 3k4m h LYS 225 Ca 0.12 -0.15 -0.07 0.00 -0.85 0.00 0.00 60.65 59.70 3k4m h LYS 225 Cb 0.44 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 3k4m h LYS 225 CO 0.02 0.67 0.11 -0.07 -3.45 0.00 0.00 179.45 176.73 3k4m h LEU 226 N -0.03 0.92 -0.68 5.20 3.38 -1.28 0.11 115.31 122.93 3k4m h LEU 226 Ca 0.03 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.78 3k4m h LEU 226 Cb 0.58 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3k4m h LEU 226 CO 0.03 0.93 0.42 0.74 0.09 0.00 0.00 178.44 180.65 3k4m h THR 227 N 0.87 1.07 0.06 0.22 2.02 -1.21 -1.07 112.91 114.87 3k4m h THR 227 Ca 0.18 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 3k4m h THR 227 Cb 0.39 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3k4m h THR 227 CO 0.01 0.15 -0.03 -0.08 0.37 0.00 0.00 175.52 175.94 3k4m h GLU 228 N 0.81 -0.08 -0.93 6.66 4.81 -1.09 -3.24 114.58 121.51 3k4m h GLU 228 Ca 0.28 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.64 3k4m h GLU 228 Cb 0.05 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.36 3k4m h GLU 228 CO -0.12 0.19 0.56 0.93 -0.73 0.00 0.00 179.01 179.84 3k4m h GLU 229 N -0.34 0.84 -0.79 1.92 4.39 -0.17 -2.45 114.58 117.98 3k4m h GLU 229 Ca -0.01 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 3k4m h GLU 229 Cb 0.30 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3k4m h GLU 229 CO 0.01 0.56 0.03 0.66 -1.16 0.00 0.00 179.01 179.11 3k4m n TYR 230 N -4.70 1.23 0.00 4.33 4.02 -0.46 -4.99 117.16 116.59 3k4m n TYR 230 Ca 0.18 -0.49 0.00 0.00 -0.01 0.00 0.00 57.90 57.58 3k4m n TYR 230 Cb 0.36 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3k4m n TYR 230 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3k4m n LYS 231 N 0.28 0.00 -0.00 -0.72 5.02 -0.93 0.43 118.16 122.24 3k4m n LYS 231 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 3k4m n LYS 231 Cb 0.82 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.83 3k4m n LYS 231 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k4m n GLY 232 N 0.00 2.08 0.35 0.72 0.00 -1.26 -4.72 105.19 102.35 3k4m n GLY 232 Ca 0.00 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.18 3k4m n GLY 232 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3k4m h GLN 233 N 0.03 0.59 -3.91 1.61 4.20 -0.42 -3.41 115.11 113.81 3k4m h GLN 233 Ca 0.00 -0.04 -0.21 0.00 0.06 0.00 0.00 58.65 58.46 3k4m h GLN 233 Cb 0.40 -0.13 -0.24 0.00 0.30 0.00 0.00 27.48 27.80 3k4m h GLN 233 CO 0.00 0.39 -0.71 1.03 -0.67 0.00 0.00 178.83 178.87 3k4m s ARG 234 N -5.80 0.19 -0.02 1.46 0.52 -1.24 -5.13 118.95 108.93 3k4m s ARG 234 Ca -0.11 -0.33 -0.15 0.00 -0.52 0.00 0.00 55.73 54.63 3k4m s ARG 234 Cb 0.27 0.02 -0.05 0.00 0.52 0.00 0.00 34.95 35.70 3k4m s ARG 234 CO 0.80 -0.01 0.41 -0.51 0.02 0.00 0.00 175.30 176.00 3k4m s ASP 235 N -0.75 6.77 0.06 0.23 1.01 -1.26 -4.89 116.67 117.84 3k4m s ASP 235 Ca -0.08 0.92 0.07 0.00 0.71 0.00 0.00 52.55 54.18 3k4m s ASP 235 Cb -0.05 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 3k4m s ASP 235 CO -0.00 0.28 -0.18 -0.36 0.21 0.00 0.00 175.17 175.12 3k4m s PHE 236 N -0.82 2.56 0.36 4.23 0.40 -1.26 -4.27 117.98 119.19 3k4m s PHE 236 Ca 0.23 -0.25 -0.09 0.00 -0.60 0.00 0.00 56.93 56.22 3k4m s PHE 236 Cb -0.16 -1.44 0.04 0.00 0.51 0.00 0.00 43.02 41.96 3k4m s PHE 236 CO 0.12 0.29 0.64 0.00 0.70 0.00 0.00 175.22 176.98 3k4m n GLN 237 N 1.37 0.93 -2.54 0.44 10.64 -0.33 -4.99 117.38 122.91 3k4m n GLN 237 Ca -0.16 -2.32 -0.37 0.00 -1.83 0.00 0.00 57.00 52.33 3k4m n GLN 237 Cb 0.52 2.61 -0.04 0.00 -0.86 0.00 0.00 30.24 32.47 3k4m n GLN 237 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 3k4m s GLN 238 N -2.34 4.19 0.20 2.61 0.74 -1.26 -0.77 119.66 123.04 3k4m s GLN 238 Ca 0.20 1.53 -0.32 0.00 0.05 0.00 0.00 55.36 56.82 3k4m s GLN 238 Cb -0.03 -2.58 -0.13 0.00 1.10 0.00 0.00 33.01 31.37 3k4m s GLN 238 CO 0.14 -0.12 1.63 -0.89 -0.55 0.00 0.00 175.29 175.50 3k4m n ILE 239 N 0.01 0.19 -1.89 -2.34 5.41 0.25 -4.70 119.36 116.29 3k4m n ILE 239 Ca 0.05 -0.05 -0.42 0.00 1.00 0.00 0.00 62.75 63.33 3k4m n ILE 239 Cb 0.49 -1.77 -0.03 0.00 -0.71 0.00 0.00 39.64 37.62 3k4m n ILE 239 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3k4m s PRO 240 N 0.75 4.17 -0.03 0.38 0.02 -1.26 -4.70 135.00 134.33 3k4m s PRO 240 Ca 0.75 2.34 0.05 0.00 0.02 0.00 0.00 61.00 64.16 3k4m s PRO 240 Cb -0.58 -4.00 -0.03 0.00 0.02 0.00 0.00 34.50 29.91 3k4m s PRO 240 CO 0.38 -0.87 -0.18 -0.51 -0.33 0.00 0.00 177.00 175.49 3k4m s LEU 241 N 4.03 2.54 -0.84 -5.54 1.43 -0.12 -0.44 118.68 119.74 3k4m s LEU 241 Ca 0.78 -0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 53.39 3k4m s LEU 241 Cb -0.37 -1.49 0.11 0.00 0.03 0.00 0.00 46.19 44.47 3k4m s LEU 241 CO 0.34 0.33 1.06 0.00 0.23 0.00 0.00 176.35 178.31 3k4m s ALA 242 N -0.73 3.30 0.03 4.21 0.00 0.29 -0.98 121.76 127.89 3k4m s ALA 242 Ca 0.12 -2.50 -0.28 0.00 0.00 0.00 0.00 51.96 49.30 3k4m s ALA 242 Cb -0.10 -3.97 0.10 0.00 0.00 0.00 0.00 23.12 19.14 3k4m s ALA 242 CO 0.01 -2.90 0.85 0.00 0.00 0.00 0.00 175.76 173.72 3k4m s ALA 243 N 3.05 -1.78 -0.05 0.00 0.00 -1.13 -1.12 121.76 120.74 3k4m s ALA 243 Ca 0.29 0.89 0.01 0.00 0.00 0.00 0.00 51.96 53.15 3k4m s ALA 243 Cb -0.09 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.55 3k4m s ALA 243 CO -0.04 -0.72 -0.07 0.99 0.00 0.00 0.00 175.76 175.93 3k4m s THR 244 N -3.23 0.68 0.17 0.00 2.01 -0.47 -4.66 115.64 110.15 3k4m s THR 244 Ca 0.05 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.54 3k4m s THR 244 Cb -0.01 -0.68 -0.07 0.00 0.01 0.00 0.00 72.50 71.75 3k4m s THR 244 CO -0.09 0.25 0.90 -0.60 -0.69 0.00 0.00 174.62 174.39 3k4m s ARG 245 N 0.81 4.72 -0.02 4.92 3.52 -1.26 -0.33 118.95 131.31 3k4m s ARG 245 Ca -0.12 1.37 0.12 0.00 -0.13 0.00 0.00 55.73 56.97 3k4m s ARG 245 Cb -0.15 -3.31 -0.19 0.00 -1.56 0.00 0.00 34.95 29.74 3k4m s ARG 245 CO 0.01 0.41 0.28 0.54 -0.81 0.00 0.00 175.30 175.74 3k4m n ARG 246 N 2.03 0.48 -3.80 5.12 5.12 0.40 -4.87 116.66 121.14 3k4m n ARG 246 Ca -0.01 -0.11 -0.03 0.00 -1.93 0.00 0.00 57.85 55.76 3k4m n ARG 246 Cb 0.48 -1.28 -0.00 0.00 -1.16 0.00 0.00 32.46 30.50 3k4m n ARG 246 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3k4m s SER 247 N -3.37 -0.10 0.11 0.55 1.04 -0.83 -4.93 113.70 106.17 3k4m s SER 247 Ca -0.04 -0.53 0.12 0.00 0.48 0.00 0.00 55.95 55.98 3k4m s SER 247 Cb 0.08 0.50 0.56 0.00 0.10 0.00 0.00 66.02 67.26 3k4m s SER 247 CO 0.51 -0.96 1.37 -2.65 0.98 0.00 0.00 173.24 172.50 3k4m n PRO 248 N -0.55 0.06 0.00 4.02 -0.02 -1.26 -2.80 135.00 134.45 3k4m n PRO 248 Ca -0.05 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3k4m n PRO 248 Cb 0.60 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 3k4m n PRO 248 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3k4m n THR 249 N -1.77 0.00 -4.26 3.45 -2.24 -1.26 -4.79 114.28 103.41 3k4m n THR 249 Ca 0.01 -0.49 -0.21 0.00 -2.27 0.00 0.00 64.05 61.09 3k4m n THR 249 Cb 0.09 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.16 3k4m n THR 249 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3k4m s PHE 250 N -0.72 0.92 -0.14 4.78 2.19 -1.12 -4.89 117.98 119.00 3k4m s PHE 250 Ca 0.00 -0.29 0.01 0.00 0.33 0.00 0.00 56.93 56.99 3k4m s PHE 250 Cb 0.00 -0.77 0.02 0.00 -1.31 0.00 0.00 43.02 40.96 3k4m s PHE 250 CO 0.00 -0.21 -0.18 0.08 1.83 0.00 0.00 175.22 176.74 3k4m s VAL 251 N 0.86 1.80 -0.60 3.12 1.01 -1.26 -0.46 120.40 124.88 3k4m s VAL 251 Ca -0.12 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 60.81 3k4m s VAL 251 Cb -0.15 -1.63 0.05 0.00 0.00 0.00 0.00 36.38 34.65 3k4m s VAL 251 CO 0.01 0.50 0.99 -0.70 0.00 0.00 0.00 175.10 175.90 3k4m s GLU 252 N 1.11 3.27 0.31 2.72 2.12 0.55 -4.84 118.70 123.94 3k4m s GLU 252 Ca -0.02 -0.37 -0.27 0.00 0.36 0.00 0.00 54.97 54.67 3k4m s GLU 252 Cb -0.14 -4.10 -0.09 0.00 0.26 0.00 0.00 34.13 30.05 3k4m s GLU 252 CO -0.06 -1.64 1.01 -1.58 -0.54 0.00 0.00 175.26 172.45 3k4m s TRP 253 N 4.19 3.63 0.64 5.30 0.52 -1.26 -1.37 118.94 130.60 3k4m s TRP 253 Ca 0.29 1.76 -0.11 0.00 0.02 0.00 0.00 56.10 58.06 3k4m s TRP 253 Cb -0.13 -3.09 -0.03 0.00 -1.15 0.00 0.00 33.47 29.07 3k4m s TRP 253 CO 0.17 -0.15 1.05 -1.12 0.02 0.00 0.00 176.95 176.91 3k4m s SER 254 N -1.28 6.04 0.26 2.95 0.01 -0.27 -4.53 113.70 116.87 3k4m s SER 254 Ca 0.48 1.36 -0.10 0.00 1.31 0.00 0.00 55.95 59.00 3k4m s SER 254 Cb -0.25 -2.35 0.04 0.00 0.21 0.00 0.00 66.02 63.67 3k4m s SER 254 CO 0.32 -0.99 0.55 -1.54 0.41 0.00 0.00 173.24 171.99 3k4m n SER 255 N -2.82 -1.55 -0.19 2.44 3.41 -1.26 -4.74 113.62 108.91 3k4m n SER 255 Ca 0.06 -2.06 -0.00 0.00 -0.26 0.00 0.00 58.87 56.60 3k4m n SER 255 Cb 0.55 2.59 0.08 0.00 -0.26 0.00 0.00 64.21 67.16 3k4m n SER 255 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k4m h ALA 256 N 2.00 0.53 -1.00 7.33 0.00 -1.79 -1.57 119.26 124.76 3k4m h ALA 256 Ca -0.23 0.18 0.26 0.00 0.00 0.00 0.00 54.91 55.12 3k4m h ALA 256 Cb 0.84 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 3k4m h ALA 256 CO 0.29 -0.40 0.59 -0.97 0.00 0.00 0.00 179.25 178.76 3k4m h ASN 257 N 0.10 0.64 0.03 0.00 -0.73 -1.66 0.70 115.58 114.66 3k4m h ASN 257 Ca 0.29 0.15 -0.08 0.00 1.87 0.00 0.00 56.30 58.53 3k4m h ASN 257 Cb 0.46 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.09 3k4m h ASN 257 CO -0.50 0.06 -0.23 0.74 -0.37 0.00 0.00 177.43 177.13 3k4m h THR 258 N 0.53 1.24 0.08 -3.57 2.02 -1.62 -2.97 112.91 108.63 3k4m h THR 258 Ca 0.66 -1.14 -0.26 0.00 0.77 0.00 0.00 66.41 66.43 3k4m h THR 258 Cb 1.31 1.36 0.01 0.00 -1.74 0.00 0.00 68.15 69.08 3k4m h THR 258 CO -0.50 0.36 -1.14 0.58 0.37 0.00 0.00 175.52 175.18 3k4m h VAL 259 N 0.31 1.40 -1.74 3.16 2.07 0.56 -3.46 116.25 118.56 3k4m h VAL 259 Ca 0.05 -2.67 0.09 0.00 0.82 0.00 0.00 66.70 64.99 3k4m h VAL 259 Cb 0.58 2.69 -0.22 0.00 -1.52 0.00 0.00 31.29 32.82 3k4m h VAL 259 CO 0.04 0.79 0.04 0.12 0.02 0.00 0.00 177.57 178.58 3k4m s PHE 260 N -2.97 -1.05 -1.35 1.57 5.36 0.22 -4.76 117.98 115.00 3k4m s PHE 260 Ca -0.06 1.91 0.13 0.00 -0.96 0.00 0.00 56.93 57.95 3k4m s PHE 260 Cb 0.07 0.63 0.65 0.00 -0.34 0.00 0.00 43.02 44.03 3k4m s PHE 260 CO 0.89 -0.52 1.36 -0.40 -1.46 0.00 0.00 175.22 175.09 3k4m n ASP 261 N 4.87 0.00 -0.20 6.13 5.68 -1.20 -4.02 116.55 127.81 3k4m n ASP 261 Ca -0.14 0.17 -0.03 0.00 -0.50 0.00 0.00 54.79 54.29 3k4m n ASP 261 Cb 0.53 -0.32 -0.01 0.00 -1.14 0.00 0.00 41.12 40.18 3k4m n ASP 261 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3k4m n LEU 262 N -1.32 0.66 -4.77 -2.12 4.77 -1.26 -4.13 117.00 108.83 3k4m n LEU 262 Ca 0.06 0.07 -0.38 0.00 -0.03 0.00 0.00 56.01 55.73 3k4m n LEU 262 Cb 0.11 -2.51 -0.01 0.00 -2.33 0.00 0.00 43.42 38.68 3k4m n LEU 262 CO 0.10 -1.00 0.86 -1.10 -1.33 0.00 0.00 177.39 174.92 3k4m s GLN 263 N -2.20 3.80 0.33 3.23 -1.52 -1.26 -4.81 119.66 117.23 3k4m s GLN 263 Ca 0.00 1.86 -0.29 0.00 -1.95 0.00 0.00 55.36 54.98 3k4m s GLN 263 Cb 0.00 -2.49 -0.10 0.00 -0.22 0.00 0.00 33.01 30.19 3k4m s GLN 263 CO 0.00 -0.54 1.34 -0.80 -0.25 0.00 0.00 175.29 175.04 3k4m s ASN 264 N -1.21 6.71 0.19 5.90 0.01 -1.26 -4.85 114.94 120.42 3k4m s ASN 264 Ca 0.62 2.73 0.09 0.00 -0.71 0.00 0.00 52.86 55.58 3k4m s ASN 264 Cb -0.31 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 38.66 3k4m s ASN 264 CO 0.38 -0.59 -0.18 -0.13 -1.51 0.00 0.00 177.10 175.07 3k4m s ARG 265 N -1.65 1.35 0.49 -0.60 0.52 -0.13 -4.28 118.95 114.66 3k4m s ARG 265 Ca 0.51 -1.50 -0.23 0.00 -0.52 0.00 0.00 55.73 53.99 3k4m s ARG 265 Cb -0.41 -1.39 -0.06 0.00 0.52 0.00 0.00 34.95 33.61 3k4m s ARG 265 CO 0.53 0.27 1.28 -2.14 0.02 0.00 0.00 175.30 175.26 3k4m s PRO 266 N -3.03 3.48 0.29 3.54 0.02 -0.56 -1.73 135.00 137.00 3k4m s PRO 266 Ca 0.19 2.05 0.05 0.00 0.02 0.00 0.00 61.00 63.31 3k4m s PRO 266 Cb -0.05 -2.38 -0.02 0.00 0.02 0.00 0.00 34.50 32.08 3k4m s PRO 266 CO 0.08 -0.86 0.28 0.27 -0.33 0.00 0.00 177.00 176.44 3k4m n ASN 267 N -0.68 -0.71 0.06 2.53 0.23 -0.96 -4.96 115.26 110.77 3k4m n ASN 267 Ca 0.08 -2.84 -0.01 0.00 -0.53 0.00 0.00 54.58 51.29 3k4m n ASN 267 Cb 0.46 1.58 0.28 0.00 -2.08 0.00 0.00 39.78 40.01 3k4m n ASN 267 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 3k4m h THR 268 N 1.91 1.24 -0.01 5.53 1.35 -1.95 0.05 112.91 121.02 3k4m h THR 268 Ca -0.21 -1.09 -0.18 0.00 -0.55 0.00 0.00 66.41 64.38 3k4m h THR 268 Cb 1.03 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 3k4m h THR 268 CO 0.30 0.34 -0.81 0.44 -0.25 0.00 0.00 175.52 175.54 3k4m h ASP 269 N 0.34 0.18 -2.28 5.36 3.32 -2.00 -3.36 116.42 117.98 3k4m h ASP 269 Ca 0.06 -0.14 -0.58 0.00 0.02 0.00 0.00 57.03 56.39 3k4m h ASP 269 Cb 0.55 -0.05 -0.40 0.00 0.22 0.00 0.00 39.33 39.65 3k4m h ASP 269 CO 0.04 0.91 -0.91 0.00 -1.72 0.00 0.00 179.24 177.56 3k4m n ALA 270 N -2.44 2.98 0.73 3.45 0.00 -0.89 -4.99 120.51 119.35 3k4m n ALA 270 Ca -0.03 -3.71 0.10 0.00 0.00 0.00 0.00 53.44 49.80 3k4m n ALA 270 Cb 0.77 -0.84 0.46 0.00 0.00 0.00 0.00 19.45 19.83 3k4m n ALA 270 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3k4m n PRO 271 N 1.78 0.01 -0.25 0.00 -0.04 -0.05 -2.25 135.00 134.19 3k4m n PRO 271 Ca 0.25 0.14 0.08 0.00 -0.04 0.00 0.00 63.50 63.93 3k4m n PRO 271 Cb 0.47 -1.51 0.13 0.00 -0.04 0.00 0.00 33.50 32.55 3k4m n PRO 271 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3k4m n GLU 272 N -1.53 1.16 -4.41 0.54 1.02 -1.26 -4.69 120.64 111.48 3k4m n GLU 272 Ca 0.05 -2.53 -0.25 0.00 -0.02 0.00 0.00 57.16 54.41 3k4m n GLU 272 Cb 0.25 -1.37 -0.10 0.00 -0.02 0.00 0.00 31.44 30.20 3k4m n GLU 272 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3k4m s GLU 273 N -2.56 1.77 -0.16 3.49 2.02 -1.16 -4.97 118.70 117.13 3k4m s GLU 273 Ca 0.30 -1.58 -0.01 0.00 0.02 0.00 0.00 54.97 53.70 3k4m s GLU 273 Cb 0.27 -1.90 0.05 0.00 0.10 0.00 0.00 34.13 32.65 3k4m s GLU 273 CO 0.00 0.37 -0.02 1.03 0.02 0.00 0.00 175.26 176.66 3k4m s ARG 274 N -3.18 1.09 -0.12 1.61 0.52 -1.26 -1.50 118.95 116.11 3k4m s ARG 274 Ca 0.27 -0.41 -0.08 0.00 -0.52 0.00 0.00 55.73 54.98 3k4m s ARG 274 Cb -0.07 -1.90 0.04 0.00 0.52 0.00 0.00 34.95 33.55 3k4m s ARG 274 CO 0.14 -0.48 0.30 0.12 0.02 0.00 0.00 175.30 175.41 3k4m s PHE 275 N 1.74 -0.39 -0.00 -0.53 5.36 -0.71 -1.75 117.98 121.70 3k4m s PHE 275 Ca 0.01 0.90 0.04 0.00 -0.96 0.00 0.00 56.93 56.91 3k4m s PHE 275 Cb -0.15 0.12 -0.01 0.00 -0.34 0.00 0.00 43.02 42.64 3k4m s PHE 275 CO -0.07 -0.22 -0.13 -0.80 -1.46 0.00 0.00 175.22 172.54 3k4m s ASN 276 N 0.79 1.49 -0.08 6.13 -0.87 -0.50 -0.96 114.94 120.95 3k4m s ASN 276 Ca -0.05 -0.26 0.04 0.00 -1.57 0.00 0.00 52.86 51.02 3k4m s ASN 276 Cb -0.06 -0.16 -0.00 0.00 -0.02 0.00 0.00 41.25 41.01 3k4m s ASN 276 CO -0.05 0.14 -0.23 -0.22 -2.57 0.00 0.00 177.10 174.16 3k4m s LEU 277 N -0.41 2.03 -0.35 0.60 2.96 -1.26 -0.58 118.68 121.68 3k4m s LEU 277 Ca 0.04 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 3k4m s LEU 277 Cb -0.05 -1.32 0.10 0.00 0.50 0.00 0.00 46.19 45.42 3k4m s LEU 277 CO -0.00 0.17 0.07 -0.36 -1.32 0.00 0.00 176.35 174.91 3k4m s PHE 278 N 0.21 3.48 0.77 5.38 0.08 0.25 -4.97 117.98 123.18 3k4m s PHE 278 Ca -0.13 -2.86 -0.06 0.00 0.12 0.00 0.00 56.93 54.00 3k4m s PHE 278 Cb -0.16 -2.77 0.13 0.00 -0.57 0.00 0.00 43.02 39.65 3k4m s PHE 278 CO 0.07 -0.93 1.07 -2.14 -0.10 0.00 0.00 175.22 173.19 3k4m s PRO 279 N 0.93 1.54 -1.45 0.24 0.02 -1.26 -1.48 135.00 133.54 3k4m s PRO 279 Ca 0.11 -0.75 -0.05 0.00 0.02 0.00 0.00 61.00 60.33 3k4m s PRO 279 Cb -0.19 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.15 3k4m s PRO 279 CO -0.10 -1.63 0.25 0.00 -0.33 0.00 0.00 177.00 175.20 3k4m n ALA 280 N -3.07 -2.10 -3.84 -1.55 0.00 0.20 -4.82 120.51 105.33 3k4m n ALA 280 Ca 0.13 -0.38 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 3k4m n ALA 280 Cb 0.60 -1.37 -0.16 0.00 0.00 0.00 0.00 19.45 18.53 3k4m n ALA 280 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k4m s VAL 281 N -4.11 1.18 -0.46 0.00 1.01 0.24 -1.63 120.40 116.63 3k4m s VAL 281 Ca 0.08 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 60.55 3k4m s VAL 281 Cb -0.04 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.70 3k4m s VAL 281 CO 0.95 -0.33 1.31 0.00 0.00 0.00 0.00 175.10 177.03 3k4m s ALA 282 N 1.52 3.06 -0.02 5.51 0.00 -0.34 -2.72 121.76 128.77 3k4m s ALA 282 Ca 0.01 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.42 3k4m s ALA 282 Cb -0.18 -3.94 -0.05 0.00 0.00 0.00 0.00 23.12 18.95 3k4m s ALA 282 CO -0.12 -2.41 0.61 0.00 0.00 0.00 0.00 175.76 173.84 3k4m n GLU 284 N 2.93 1.02 -3.58 0.00 1.02 -0.22 -4.97 120.64 116.83 3k4m n GLU 284 Ca -0.06 0.01 -0.16 0.00 -0.02 0.00 0.00 57.16 56.93 3k4m n GLU 284 Cb 0.51 -1.06 -0.07 0.00 -0.02 0.00 0.00 31.44 30.80 3k4m n GLU 284 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3k4m s ARG 285 N -2.06 0.94 -0.07 3.49 0.52 -1.21 -4.73 118.95 115.81 3k4m s ARG 285 Ca -0.04 0.38 -0.04 0.00 -0.52 0.00 0.00 55.73 55.51 3k4m s ARG 285 Cb 0.01 0.44 -0.04 0.00 0.52 0.00 0.00 34.95 35.88 3k4m s ARG 285 CO 0.08 -0.25 0.09 0.14 0.02 0.00 0.00 175.30 175.39 3k4m s VAL 286 N -0.80 5.01 -0.25 3.52 -7.23 -1.26 -0.56 120.40 118.83 3k4m s VAL 286 Ca -0.08 -0.09 -0.11 0.00 -1.81 0.00 0.00 61.98 59.88 3k4m s VAL 286 Cb -0.02 -3.20 -0.05 0.00 0.56 0.00 0.00 36.38 33.67 3k4m s VAL 286 CO 0.07 0.52 0.20 -0.69 -0.31 0.00 0.00 175.10 174.89 3k4m s VAL 287 N -1.06 5.32 -0.07 1.32 1.01 -0.15 -4.72 120.40 122.05 3k4m s VAL 287 Ca 0.18 0.25 -0.20 0.00 0.00 0.00 0.00 61.98 62.21 3k4m s VAL 287 Cb -0.12 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3k4m s VAL 287 CO 0.07 0.30 0.56 -0.13 0.00 0.00 0.00 175.10 175.90 3k4m s ARG 288 N 1.30 4.34 1.11 2.72 0.52 -1.26 -0.42 118.95 127.25 3k4m s ARG 288 Ca 0.09 0.62 -0.12 0.00 -0.52 0.00 0.00 55.73 55.80 3k4m s ARG 288 Cb -0.14 -3.40 0.24 0.00 0.52 0.00 0.00 34.95 32.17 3k4m s ARG 288 CO 0.07 0.22 1.01 0.27 0.02 0.00 0.00 175.30 176.88 3k4m n ASN 289 N 3.35 -1.21 -0.17 0.23 6.94 -0.77 -4.90 115.26 118.74 3k4m n ASN 289 Ca -0.06 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.48 3k4m n ASN 289 Cb 0.51 -1.31 0.20 0.00 -2.36 0.00 0.00 39.78 36.82 3k4m n ASN 289 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3k4m h ALA 290 N -2.45 1.28 0.00 -2.53 0.00 -1.98 -2.23 119.26 111.34 3k4m h ALA 290 Ca -0.56 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3k4m h ALA 290 Cb 1.32 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3k4m h ALA 290 CO 0.46 0.54 0.00 1.28 0.00 0.00 0.00 179.25 181.53 3k4m n LEU 291 N -4.32 0.00 -4.28 0.00 4.77 -1.26 -4.84 117.00 107.08 3k4m n LEU 291 Ca 0.05 0.01 -0.33 0.00 -0.03 0.00 0.00 56.01 55.71 3k4m n LEU 291 Cb 0.16 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 3k4m n LEU 291 CO 0.39 -0.01 -0.28 0.59 -1.33 0.00 0.00 177.39 176.75 3k4m n ASN 292 N -1.01 -0.61 0.00 -1.43 3.02 -0.84 -4.86 115.26 109.53 3k4m n ASN 292 Ca 0.12 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 3k4m n ASN 292 Cb 0.06 -2.09 0.00 0.00 -0.61 0.00 0.00 39.78 37.13 3k4m n ASN 292 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3k4m n SER 293 N -2.78 0.59 -3.65 6.41 3.41 -1.26 -4.45 113.62 111.90 3k4m n SER 293 Ca -0.16 -0.80 -0.15 0.00 -0.26 0.00 0.00 58.87 57.49 3k4m n SER 293 Cb 0.61 0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 64.85 3k4m n SER 293 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3k4m s GLU 294 N -0.36 0.84 -0.06 4.33 2.12 -1.26 -1.43 118.70 122.87 3k4m s GLU 294 Ca 0.00 0.13 -0.18 0.00 0.36 0.00 0.00 54.97 55.28 3k4m s GLU 294 Cb 0.00 0.39 -0.05 0.00 0.26 0.00 0.00 34.13 34.73 3k4m s GLU 294 CO 0.00 -0.23 0.49 0.42 -0.54 0.00 0.00 175.26 175.40 3k4m s ILE 295 N -1.06 5.07 -0.13 -3.70 -1.09 -1.26 -1.84 121.20 117.18 3k4m s ILE 295 Ca -0.11 1.01 0.18 0.00 -2.23 0.00 0.00 60.65 59.50 3k4m s ILE 295 Cb -0.03 -3.82 -0.26 0.00 -1.58 0.00 0.00 42.46 36.77 3k4m s ILE 295 CO 0.06 0.42 0.19 -0.62 -1.23 0.00 0.00 174.94 173.76 3k4m n GLU 296 N 2.95 0.85 -3.62 2.79 -0.58 0.43 -4.94 120.64 118.52 3k4m n GLU 296 Ca -0.09 -0.07 -0.03 0.00 -0.42 0.00 0.00 57.16 56.55 3k4m n GLU 296 Cb 0.52 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.90 3k4m n GLU 296 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3k4m s SER 297 N -4.94 -0.16 -0.18 1.62 1.04 -1.25 -4.71 113.70 105.12 3k4m s SER 297 Ca -0.09 -0.13 -0.00 0.00 0.48 0.00 0.00 55.95 56.21 3k4m s SER 297 Cb 0.08 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.47 3k4m s SER 297 CO 0.78 -0.47 -0.15 -0.22 0.98 0.00 0.00 173.24 174.17 3k4m s LEU 298 N -2.66 2.40 -0.16 2.42 2.96 -0.08 -0.98 118.68 122.58 3k4m s LEU 298 Ca 0.11 -0.54 -0.20 0.00 -0.22 0.00 0.00 54.13 53.28 3k4m s LEU 298 Cb 0.01 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 3k4m s LEU 298 CO -0.04 0.02 0.58 -2.28 -1.32 0.00 0.00 176.35 173.31 3k4m s HIS 299 N 1.18 3.44 0.12 5.38 5.65 0.28 -0.43 115.29 130.91 3k4m s HIS 299 Ca 0.02 0.93 0.06 0.00 0.25 0.00 0.00 55.06 56.32 3k4m s HIS 299 Cb -0.14 -2.71 -0.04 0.00 -1.18 0.00 0.00 32.58 28.51 3k4m s HIS 299 CO -0.07 -0.03 -0.13 0.96 -0.65 0.00 0.00 174.74 174.82 3k4m s ILE 300 N 1.36 1.26 -0.31 0.89 -4.36 -0.49 -1.06 121.20 118.50 3k4m s ILE 300 Ca 0.28 -1.69 0.02 0.00 -0.26 0.00 0.00 60.65 59.00 3k4m s ILE 300 Cb -0.16 -1.49 0.08 0.00 1.25 0.00 0.00 42.46 42.14 3k4m s ILE 300 CO 0.11 -0.43 -0.00 -2.28 0.24 0.00 0.00 174.94 172.58 3k4m s HIS 301 N -2.16 3.50 -0.26 1.37 5.65 0.90 -1.37 115.29 122.93 3k4m s HIS 301 Ca 0.08 -2.56 -0.29 0.00 0.25 0.00 0.00 55.06 52.54 3k4m s HIS 301 Cb -0.05 -2.48 -0.02 0.00 -1.18 0.00 0.00 32.58 28.85 3k4m s HIS 301 CO 0.03 -0.91 1.59 0.34 -0.65 0.00 0.00 174.74 175.14 3k4m s ASP 302 N 1.10 6.34 0.45 9.88 -1.08 0.50 -1.20 116.67 132.67 3k4m s ASP 302 Ca 0.01 1.47 0.25 0.00 -0.52 0.00 0.00 52.55 53.76 3k4m s ASP 302 Cb -0.20 -2.53 0.79 0.00 -1.46 0.00 0.00 42.92 39.52 3k4m s ASP 302 CO -0.06 -1.31 1.77 -0.07 0.52 0.00 0.00 175.17 176.02 3k4m h LEU 303 N 11.91 0.00 0.00 -1.34 3.38 -1.61 0.91 115.31 128.55 3k4m h LEU 303 Ca -0.32 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 3k4m h LEU 303 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3k4m h LEU 303 CO 1.02 0.13 -0.28 0.40 0.09 0.00 0.00 178.44 179.80 3k4m h ILE 304 N 0.00 0.87 -0.01 1.22 1.08 -1.91 -3.37 117.51 115.38 3k4m h ILE 304 Ca -0.00 -1.73 -0.12 0.00 -0.39 0.00 0.00 64.86 62.62 3k4m h ILE 304 Cb 0.83 1.72 -0.02 0.00 -3.07 0.00 0.00 36.82 36.28 3k4m h ILE 304 CO 0.02 0.29 -0.54 0.77 -0.69 0.00 0.00 178.15 178.00 3k4m h SER 305 N -1.00 0.04 0.00 1.72 4.64 -1.93 -3.47 113.55 113.55 3k4m h SER 305 Ca -0.06 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3k4m h SER 305 Cb 0.68 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3k4m h SER 305 CO -0.04 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 3k4m n GLY 306 N 0.05 0.85 3.83 -0.77 0.00 0.31 -5.05 105.19 104.40 3k4m n GLY 306 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3k4m n GLY 306 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k4m s ASP 307 N -2.95 6.87 -0.09 1.61 1.01 -1.18 -4.79 116.67 117.14 3k4m s ASP 307 Ca 0.00 1.57 -0.02 0.00 0.71 0.00 0.00 52.55 54.81 3k4m s ASP 307 Cb 0.00 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 3k4m s ASP 307 CO 0.00 -0.34 -0.01 -0.13 0.21 0.00 0.00 175.17 174.90 3k4m s ARG 308 N -3.20 3.07 0.24 8.23 1.81 -1.26 -0.37 118.95 127.47 3k4m s ARG 308 Ca 0.60 -0.44 0.01 0.00 -1.72 0.00 0.00 55.73 54.18 3k4m s ARG 308 Cb -0.09 -2.80 -0.05 0.00 -0.45 0.00 0.00 34.95 31.56 3k4m s ARG 308 CO 0.16 0.63 0.09 -0.06 -0.68 0.00 0.00 175.30 175.44 3k4m s PHE 309 N -0.69 1.43 -0.20 -0.53 0.08 -0.47 -4.98 117.98 112.63 3k4m s PHE 309 Ca 0.11 -1.20 0.01 0.00 0.12 0.00 0.00 56.93 55.97 3k4m s PHE 309 Cb -0.12 -0.82 0.03 0.00 -0.57 0.00 0.00 43.02 41.55 3k4m s PHE 309 CO 0.02 -0.38 -0.16 -1.21 -0.10 0.00 0.00 175.22 173.39 3k4m s GLU 310 N -4.05 2.60 -0.11 0.44 0.41 -1.26 -1.39 118.70 115.34 3k4m s GLU 310 Ca 0.37 -0.95 -0.12 0.00 -0.41 0.00 0.00 54.97 53.85 3k4m s GLU 310 Cb 0.08 -2.60 -0.05 0.00 -1.78 0.00 0.00 34.13 29.78 3k4m s GLU 310 CO 0.12 -0.34 0.27 0.42 -0.49 0.00 0.00 175.26 175.24 3k4m s ILE 311 N 1.27 5.30 -0.10 -1.63 -1.09 0.43 -4.89 121.20 120.48 3k4m s ILE 311 Ca 0.00 0.51 -0.04 0.00 -2.23 0.00 0.00 60.65 58.89 3k4m s ILE 311 Cb -0.15 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 3k4m s ILE 311 CO -0.10 0.50 0.06 -0.75 -1.23 0.00 0.00 174.94 173.42 3k4m s LYS 312 N -0.29 3.19 0.07 2.79 2.47 -1.26 -0.91 119.74 125.81 3k4m s LYS 312 Ca 0.17 -0.29 -0.10 0.00 -1.56 0.00 0.00 55.97 54.19 3k4m s LYS 312 Cb -0.13 -2.96 0.01 0.00 -1.46 0.00 0.00 37.83 33.28 3k4m s LYS 312 CO 0.06 0.73 0.22 0.00 0.16 0.00 0.00 175.35 176.52 3k4m s ALA 313 N -0.93 -0.38 0.00 3.13 0.00 -1.25 -1.44 121.76 120.90 3k4m s ALA 313 Ca 0.14 -0.41 -0.23 0.00 0.00 0.00 0.00 51.96 51.46 3k4m s ALA 313 Cb -0.12 0.43 -0.18 0.00 0.00 0.00 0.00 23.12 23.26 3k4m s ALA 313 CO 0.03 -0.47 1.27 -0.44 0.00 0.00 0.00 175.76 176.15 3k4m h ASP 314 N 2.95 0.23 -3.34 0.00 3.32 -1.06 -3.45 116.42 115.06 3k4m h ASP 314 Ca -0.33 -0.53 -0.66 0.00 0.02 0.00 0.00 57.03 55.53 3k4m h ASP 314 Cb 1.20 -0.06 -0.28 0.00 0.22 0.00 0.00 39.33 40.41 3k4m h ASP 314 CO 0.52 0.71 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.28 3k4m s VAL 315 N -4.11 2.89 -0.21 -1.35 1.01 0.29 -4.79 120.40 114.12 3k4m s VAL 315 Ca -0.15 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 3k4m s VAL 315 Cb 0.03 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.22 3k4m s VAL 315 CO 0.72 0.53 -0.08 -0.31 0.00 0.00 0.00 175.10 175.96 3k4m s TYR 316 N 0.32 2.92 -0.14 5.22 1.51 0.90 -1.87 117.35 126.21 3k4m s TYR 316 Ca -0.12 -1.17 0.01 0.00 -1.01 0.00 0.00 57.07 54.78 3k4m s TYR 316 Cb -0.16 -2.06 -0.00 0.00 -0.11 0.00 0.00 41.96 39.63 3k4m s TYR 316 CO 0.06 -0.63 -0.16 0.08 -1.11 0.00 0.00 175.55 173.79 3k4m s VAL 317 N 1.42 2.65 -0.26 0.71 1.01 -0.09 -0.07 120.40 125.77 3k4m s VAL 317 Ca 0.05 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 3k4m s VAL 317 Cb -0.14 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 3k4m s VAL 317 CO -0.06 0.52 0.04 -0.76 0.00 0.00 0.00 175.10 174.85 3k4m s LEU 318 N 0.67 3.41 -0.36 3.92 1.43 0.02 -0.37 118.68 127.40 3k4m s LEU 318 Ca -0.08 -0.42 0.13 0.00 -1.03 0.00 0.00 54.13 52.73 3k4m s LEU 318 Cb -0.16 -1.85 0.38 0.00 0.03 0.00 0.00 46.19 44.59 3k4m s LEU 318 CO 0.02 -0.08 0.88 0.35 0.23 0.00 0.00 176.35 177.75 3k4m n THR 319 N 4.87 0.23 -0.17 5.49 -2.24 0.47 -0.60 114.28 122.32 3k4m n THR 319 Ca -0.16 -3.61 0.07 0.00 -2.27 0.00 0.00 64.05 58.07 3k4m n THR 319 Cb 0.50 0.28 0.29 0.00 -2.10 0.00 0.00 70.33 69.30 3k4m n THR 319 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4m n ALA 320 N 0.13 3.07 0.00 6.98 0.00 -1.01 -4.23 120.51 125.44 3k4m n ALA 320 Ca 0.16 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.34 3k4m n ALA 320 Cb 0.73 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.14 3k4m n ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4m n GLY 321 N 0.88 0.67 0.26 0.00 0.00 -1.26 -3.93 105.19 101.81 3k4m n GLY 321 Ca 0.20 -1.77 0.10 0.00 0.00 0.00 0.00 46.02 44.55 3k4m n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m h ALA 322 N 0.00 1.65 0.07 4.61 0.00 -1.92 -1.09 119.26 122.58 3k4m h ALA 322 Ca 0.00 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 3k4m h ALA 322 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3k4m h ALA 322 CO 0.00 0.08 -1.33 0.28 0.00 0.00 0.00 179.25 178.28 3k4m h VAL 323 N 0.00 0.99 0.00 0.00 2.07 -1.96 -3.34 116.25 114.01 3k4m h VAL 323 Ca -0.00 -2.31 -0.09 0.00 0.82 0.00 0.00 66.70 65.12 3k4m h VAL 323 Cb 0.14 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3k4m h VAL 323 CO 0.01 0.58 -0.46 0.45 0.02 0.00 0.00 177.57 178.17 3k4m h HIS 324 N -0.56 0.00 -0.33 1.57 -0.00 -1.65 -1.49 115.15 112.70 3k4m h HIS 324 Ca -0.31 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.11 3k4m h HIS 324 Cb 1.57 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.93 3k4m h HIS 324 CO 0.12 0.45 0.02 -0.91 -0.00 0.00 0.00 177.93 177.61 3k4m h ASN 325 N 0.00 -0.09 -0.55 2.45 2.35 -1.36 -1.45 115.58 116.93 3k4m h ASN 325 Ca -0.01 0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 3k4m h ASN 325 Cb 1.35 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.81 3k4m h ASN 325 CO 0.06 -0.01 0.01 0.74 -1.65 0.00 0.00 177.43 176.57 3k4m h THR 326 N 0.12 1.26 -0.59 2.81 2.02 -1.64 -1.48 112.91 115.41 3k4m h THR 326 Ca 0.16 -1.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.21 3k4m h THR 326 Cb 0.20 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3k4m h THR 326 CO -0.25 0.40 0.29 -0.61 0.37 0.00 0.00 175.52 175.72 3k4m h GLN 327 N 0.85 0.85 -0.20 6.66 4.15 -1.06 -1.78 115.11 124.58 3k4m h GLN 327 Ca 0.16 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 3k4m h GLN 327 Cb 0.53 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 3k4m h GLN 327 CO 0.03 0.68 0.00 1.25 -1.93 0.00 0.00 178.83 178.86 3k4m h LEU 328 N 0.81 0.34 -0.47 -2.39 6.46 -0.91 -0.58 115.31 118.58 3k4m h LEU 328 Ca 0.21 -0.31 0.09 0.00 -0.12 0.00 0.00 57.88 57.75 3k4m h LEU 328 Cb 0.11 -0.09 -0.09 0.00 -0.73 0.00 0.00 40.66 39.85 3k4m h LEU 328 CO -0.03 0.57 -0.11 -0.07 -0.62 0.00 0.00 178.44 178.19 3k4m h LEU 329 N 0.11 -0.41 -0.83 2.25 3.38 -1.11 -1.70 115.31 116.99 3k4m h LEU 329 Ca 0.06 0.14 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 3k4m h LEU 329 Cb 0.39 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3k4m h LEU 329 CO 0.01 -0.15 -0.40 0.58 0.09 0.00 0.00 178.44 178.57 3k4m h VAL 330 N 0.01 1.31 0.00 1.22 2.07 -1.10 0.20 116.25 119.95 3k4m h VAL 330 Ca 0.23 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.21 3k4m h VAL 330 Cb 0.35 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3k4m h VAL 330 CO -0.48 0.47 0.00 -3.20 0.02 0.00 0.00 177.57 174.38 3k4m n ASN 331 N -4.03 0.00 -0.48 0.57 5.15 -0.24 -3.07 115.26 113.15 3k4m n ASN 331 Ca -0.01 -0.06 0.05 0.00 -0.60 0.00 0.00 54.58 53.95 3k4m n ASN 331 Cb 0.49 -0.23 0.09 0.00 -0.53 0.00 0.00 39.78 39.61 3k4m n ASN 331 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3k4m n SER 332 N -1.23 2.35 0.00 1.20 7.64 0.63 -4.84 113.62 119.37 3k4m n SER 332 Ca 0.09 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.24 3k4m n SER 332 Cb 0.11 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3k4m n SER 332 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4m n GLY 333 N 0.46 1.97 3.86 0.23 0.00 -1.14 -4.73 105.19 105.84 3k4m n GLY 333 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3k4m n GLY 333 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4m s PHE 334 N -2.37 3.51 0.00 1.61 0.40 -0.78 -4.64 117.98 115.71 3k4m s PHE 334 Ca 0.00 1.27 0.00 0.00 -0.60 0.00 0.00 56.93 57.60 3k4m s PHE 334 Cb 0.00 -2.65 0.00 0.00 0.51 0.00 0.00 43.02 40.88 3k4m s PHE 334 CO 0.00 -0.37 0.00 0.41 0.70 0.00 0.00 175.22 175.96 3k4m n GLY 335 N -1.83 0.99 2.92 4.36 0.00 0.03 -4.06 105.19 107.59 3k4m n GLY 335 Ca 0.05 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 3k4m n GLY 335 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k4m s GLN 336 N 0.00 1.63 0.50 1.61 0.74 -1.26 -4.55 119.66 118.33 3k4m s GLN 336 Ca 0.00 -0.33 -0.19 0.00 0.05 0.00 0.00 55.36 54.88 3k4m s GLN 336 Cb 0.00 -1.72 -0.08 0.00 1.10 0.00 0.00 33.01 32.31 3k4m s GLN 336 CO 0.00 -0.28 1.03 -1.17 -0.55 0.00 0.00 175.29 174.32 3k4m s LEU 337 N 1.67 3.78 0.00 3.68 2.96 -1.26 -4.77 118.68 124.73 3k4m s LEU 337 Ca 0.04 1.87 0.00 0.00 -0.22 0.00 0.00 54.13 55.82 3k4m s LEU 337 Cb -0.13 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 42.01 3k4m s LEU 337 CO -0.09 -0.81 0.00 0.61 -1.32 0.00 0.00 176.35 174.75 3k4m n GLY 338 N -0.49 -1.14 3.59 7.98 0.00 0.97 -4.89 105.19 111.23 3k4m n GLY 338 Ca 0.09 -1.62 -0.52 0.00 0.00 0.00 0.00 46.02 43.97 3k4m n GLY 338 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k4m n ARG 339 N -1.27 1.19 -1.63 1.61 0.63 -1.26 -4.62 116.66 111.30 3k4m n ARG 339 Ca 0.00 0.43 -0.43 0.00 -0.92 0.00 0.00 57.85 56.93 3k4m n ARG 339 Cb 0.00 -2.08 -0.01 0.00 0.45 0.00 0.00 32.46 30.83 3k4m n ARG 339 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3k4m n PRO 340 N 2.55 1.63 -3.49 -0.14 -0.02 -1.26 -4.97 135.00 129.30 3k4m n PRO 340 Ca 0.18 0.57 -0.27 0.00 -2.02 0.00 0.00 63.50 61.97 3k4m n PRO 340 Cb 0.19 -2.06 -0.13 0.00 -0.02 0.00 0.00 33.50 31.49 3k4m n PRO 340 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3k4m s ASN 341 N -0.51 3.03 0.08 2.55 3.04 -1.26 -5.02 114.94 116.85 3k4m s ASN 341 Ca 0.58 -1.54 0.22 0.00 0.04 0.00 0.00 52.86 52.16 3k4m s ASN 341 Cb -0.62 -0.22 0.88 0.00 -1.54 0.00 0.00 41.25 39.74 3k4m s ASN 341 CO 0.60 -0.38 1.68 -0.81 -3.04 0.00 0.00 177.10 175.15 3k4m n PRO 342 N 4.81 0.08 -1.03 0.43 -0.04 -1.26 -1.34 135.00 136.64 3k4m n PRO 342 Ca 0.01 0.22 -0.21 0.00 -0.04 0.00 0.00 63.50 63.49 3k4m n PRO 342 Cb 0.41 -1.62 0.14 0.00 -0.04 0.00 0.00 33.50 32.39 3k4m n PRO 342 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k4m n ALA 343 N -1.60 5.14 -2.83 0.55 0.00 -1.26 -4.43 120.51 116.08 3k4m n ALA 343 Ca 0.04 -2.43 -0.11 0.00 0.00 0.00 0.00 53.44 50.94 3k4m n ALA 343 Cb 0.26 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.36 3k4m n ALA 343 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k4m n ASN 344 N -0.81 -2.01 -4.75 0.00 5.15 -0.45 -5.15 115.26 107.23 3k4m n ASN 344 Ca 0.49 -3.38 -0.41 0.00 -0.60 0.00 0.00 54.58 50.68 3k4m n ASN 344 Cb 1.38 1.39 -0.03 0.00 -0.53 0.00 0.00 39.78 42.00 3k4m n ASN 344 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3k4m s PRO 345 N 0.03 4.40 0.49 1.20 0.04 -1.26 -4.90 135.00 135.00 3k4m s PRO 345 Ca 0.29 2.11 -0.23 0.00 0.04 0.00 0.00 61.00 63.21 3k4m s PRO 345 Cb 0.26 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.59 3k4m s PRO 345 CO -0.14 -0.17 1.24 -2.30 0.04 0.00 0.00 177.00 175.67 3k4m n PRO 346 N 1.62 1.66 -0.08 0.56 -0.01 -1.26 -4.90 135.00 132.59 3k4m n PRO 346 Ca 0.03 0.60 -0.11 0.00 -0.01 0.00 0.00 63.50 64.01 3k4m n PRO 346 Cb 0.42 -2.40 -0.04 0.00 -0.01 0.00 0.00 33.50 31.47 3k4m n PRO 346 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 3k4m h GLU 347 N 1.59 0.42 -6.62 -0.52 4.22 -1.89 -3.42 114.58 108.36 3k4m h GLU 347 Ca -0.49 -0.13 -0.69 0.00 0.08 0.00 0.00 59.36 58.13 3k4m h GLU 347 Cb 1.31 -0.04 -0.25 0.00 0.50 0.00 0.00 28.75 30.26 3k4m h GLU 347 CO 0.57 0.58 -0.85 -0.51 -2.18 0.00 0.00 179.01 176.63 3k4m s LEU 348 N -9.52 2.35 -1.07 1.64 1.43 -1.26 -4.82 118.68 107.42 3k4m s LEU 348 Ca -0.14 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.32 3k4m s LEU 348 Cb 0.07 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 3k4m s LEU 348 CO 0.74 0.28 0.78 0.18 0.23 0.00 0.00 176.35 178.56 3k4m n LEU 349 N 1.89 -3.25 0.00 1.79 4.77 -1.26 -0.79 117.00 120.16 3k4m n LEU 349 Ca -0.17 -0.92 0.10 0.00 -0.03 0.00 0.00 56.01 55.00 3k4m n LEU 349 Cb 0.52 -2.45 0.49 0.00 -2.33 0.00 0.00 43.42 39.65 3k4m n LEU 349 CO 0.24 0.31 0.80 -0.81 -1.33 0.00 0.00 177.39 176.60 3k4m n PRO 350 N -3.79 0.27 0.00 3.23 -0.04 -1.26 -1.98 135.00 131.42 3k4m n PRO 350 Ca -0.10 0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 3k4m n PRO 350 Cb 0.59 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.89 3k4m n PRO 350 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3k4m n SER 351 N -1.29 1.15 -4.69 3.54 7.64 -1.26 -4.87 113.62 113.85 3k4m n SER 351 Ca 0.09 -0.98 -0.42 0.00 1.01 0.00 0.00 58.87 58.57 3k4m n SER 351 Cb 0.16 0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.49 3k4m n SER 351 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3k4m s LEU 352 N -2.48 4.38 0.00 -3.43 2.96 -0.84 -1.35 118.68 117.92 3k4m s LEU 352 Ca 0.24 2.57 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 3k4m s LEU 352 Cb 0.19 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.32 3k4m s LEU 352 CO 0.52 -0.94 0.00 0.61 -1.32 0.00 0.00 176.35 175.22 3k4m n GLY 353 N 4.12 0.74 3.76 7.98 0.00 0.18 -4.85 105.19 117.12 3k4m n GLY 353 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3k4m n GLY 353 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4m s SER 354 N -2.82 4.70 -1.62 1.61 0.01 -0.45 -0.31 113.70 114.82 3k4m s SER 354 Ca 0.00 -0.82 -0.02 0.00 1.31 0.00 0.00 55.95 56.42 3k4m s SER 354 Cb 0.00 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.57 3k4m s SER 354 CO 0.00 -0.40 0.22 -1.22 0.41 0.00 0.00 173.24 172.25 3k4m n TYR 355 N -1.23 -1.39 -2.37 2.43 4.02 -0.87 -4.67 117.16 113.08 3k4m n TYR 355 Ca -0.02 0.19 -0.39 0.00 -0.01 0.00 0.00 57.90 57.67 3k4m n TYR 355 Cb 0.62 -3.98 -0.03 0.00 -0.02 0.00 0.00 39.34 35.92 3k4m n TYR 355 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3k4m s ILE 356 N -3.04 3.28 0.05 -0.72 -4.36 -0.93 -4.59 121.20 110.89 3k4m s ILE 356 Ca 0.11 1.18 0.09 0.00 -0.26 0.00 0.00 60.65 61.78 3k4m s ILE 356 Cb -0.05 -3.71 -0.03 0.00 1.25 0.00 0.00 42.46 39.92 3k4m s ILE 356 CO 0.14 0.20 -0.24 0.42 0.24 0.00 0.00 174.94 175.70 3k4m s THR 357 N -1.30 2.35 -0.06 8.37 -4.23 -0.98 -4.62 115.64 115.17 3k4m s THR 357 Ca 0.51 -1.35 -0.07 0.00 -1.18 0.00 0.00 61.69 59.59 3k4m s THR 357 Cb -0.32 -1.95 0.02 0.00 1.34 0.00 0.00 72.50 71.59 3k4m s THR 357 CO 0.41 0.34 0.19 -0.70 -0.54 0.00 0.00 174.62 174.31 3k4m s GLU 358 N -1.36 0.29 0.25 3.99 2.56 -1.26 -1.59 118.70 121.58 3k4m s GLU 358 Ca 0.13 0.13 -0.30 0.00 0.00 0.00 0.00 54.97 54.93 3k4m s GLU 358 Cb -0.10 0.14 -0.09 0.00 2.00 0.00 0.00 34.13 36.07 3k4m s GLU 358 CO 0.03 -0.05 0.97 -0.65 -0.56 0.00 0.00 175.26 175.01 3k4m s GLN 359 N -0.22 4.81 0.29 4.30 -0.21 -1.26 -4.61 119.66 122.75 3k4m s GLN 359 Ca -0.03 1.55 -0.30 0.00 0.02 0.00 0.00 55.36 56.61 3k4m s GLN 359 Cb -0.03 -3.25 -0.11 0.00 1.00 0.00 0.00 33.01 30.63 3k4m s GLN 359 CO 0.01 0.45 1.48 -1.12 -2.12 0.00 0.00 175.29 173.98 3k4m s SER 360 N -1.12 6.54 -0.13 5.90 0.01 -1.24 -4.65 113.70 119.01 3k4m s SER 360 Ca 0.42 2.80 0.00 0.00 1.31 0.00 0.00 55.95 60.48 3k4m s SER 360 Cb -0.27 -2.64 0.02 0.00 0.21 0.00 0.00 66.02 63.35 3k4m s SER 360 CO 0.34 -0.77 -0.12 -0.22 0.41 0.00 0.00 173.24 172.88 3k4m s LEU 361 N -0.78 1.52 0.17 2.44 2.96 -1.26 -0.06 118.68 123.66 3k4m s LEU 361 Ca 0.59 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 54.13 3k4m s LEU 361 Cb -0.44 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 3k4m s LEU 361 CO 0.48 -0.06 0.17 0.68 -1.32 0.00 0.00 176.35 176.30 3k4m s VAL 362 N 1.47 4.64 -0.12 1.68 -7.23 -0.79 -0.33 120.40 119.73 3k4m s VAL 362 Ca 0.03 -1.03 -0.16 0.00 -1.81 0.00 0.00 61.98 59.00 3k4m s VAL 362 Cb -0.13 -3.39 0.04 0.00 0.56 0.00 0.00 36.38 33.46 3k4m s VAL 362 CO -0.08 -0.13 0.43 0.12 -0.31 0.00 0.00 175.10 175.13 3k4m s PHE 363 N -1.78 -0.43 0.29 2.82 5.36 -0.32 -2.19 117.98 121.74 3k4m s PHE 363 Ca 0.32 0.98 -0.19 0.00 -0.96 0.00 0.00 56.93 57.08 3k4m s PHE 363 Cb -0.10 0.17 0.02 0.00 -0.34 0.00 0.00 43.02 42.77 3k4m s PHE 363 CO 0.24 -0.29 0.69 0.00 -1.46 0.00 0.00 175.22 174.40 3k4m s GLN 365 N -3.66 1.32 0.15 0.00 -0.21 -0.88 0.21 119.66 116.59 3k4m s GLN 365 Ca 0.14 -1.41 0.08 0.00 0.02 0.00 0.00 55.36 54.18 3k4m s GLN 365 Cb -0.05 -1.47 -0.04 0.00 1.00 0.00 0.00 33.01 32.45 3k4m s GLN 365 CO 0.08 0.31 -0.18 0.95 -2.12 0.00 0.00 175.29 174.33 3k4m s THR 366 N -1.86 1.71 -0.26 -0.19 -4.23 -0.54 0.03 115.64 110.31 3k4m s THR 366 Ca 0.16 -1.82 -0.04 0.00 -1.18 0.00 0.00 61.69 58.81 3k4m s THR 366 Cb -0.07 -1.74 0.01 0.00 1.34 0.00 0.00 72.50 72.04 3k4m s THR 366 CO 0.07 -0.29 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.17 3k4m s VAL 367 N -1.91 3.47 0.22 2.29 1.01 0.12 -2.14 120.40 123.45 3k4m s VAL 367 Ca 0.13 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 3k4m s VAL 367 Cb -0.06 -2.71 -0.16 0.00 0.00 0.00 0.00 36.38 33.45 3k4m s VAL 367 CO 0.06 0.23 0.86 0.80 0.00 0.00 0.00 175.10 177.05 3k4m n MET 368 N 4.79 0.76 -2.34 2.72 1.56 0.17 -3.46 117.12 121.31 3k4m n MET 368 Ca -0.16 0.27 -0.36 0.00 -0.27 0.00 0.00 57.70 57.17 3k4m n MET 368 Cb 0.49 -1.53 -0.01 0.00 2.15 0.00 0.00 33.22 34.31 3k4m n MET 368 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 3k4m s SER 369 N -0.59 6.17 0.36 6.12 1.04 -0.19 -4.87 113.70 121.74 3k4m s SER 369 Ca 0.65 2.18 0.11 0.00 0.48 0.00 0.00 55.95 59.37 3k4m s SER 369 Cb -0.84 -2.59 0.89 0.00 0.10 0.00 0.00 66.02 63.58 3k4m s SER 369 CO 0.57 -0.91 1.82 0.74 0.98 0.00 0.00 173.24 176.44 3k4m h THR 370 N 1.70 0.72 -0.32 2.02 2.02 -1.91 -0.97 112.91 116.18 3k4m h THR 370 Ca -0.49 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 3k4m h THR 370 Cb 1.24 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3k4m h THR 370 CO 0.59 0.11 0.03 -0.33 0.37 0.00 0.00 175.52 176.29 3k4m h GLU 371 N 0.61 0.55 -0.62 6.66 5.08 -1.96 0.12 114.58 125.02 3k4m h GLU 371 Ca 0.51 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.62 3k4m h GLU 371 Cb 0.98 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3k4m h GLU 371 CO -0.26 0.66 0.02 -0.07 -1.00 0.00 0.00 179.01 178.35 3k4m h LEU 372 N 0.36 1.06 -0.12 1.33 3.38 -1.62 -2.79 115.31 116.90 3k4m h LEU 372 Ca 0.09 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3k4m h LEU 372 Cb 0.40 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3k4m h LEU 372 CO 0.01 1.09 -0.05 0.40 0.09 0.00 0.00 178.44 179.99 3k4m h ILE 373 N 0.98 1.30 -1.03 1.22 1.08 -0.78 -1.81 117.51 118.47 3k4m h ILE 373 Ca 0.18 -1.03 0.27 0.00 -0.39 0.00 0.00 64.86 63.88 3k4m h ILE 373 Cb 0.54 1.73 -0.08 0.00 -3.07 0.00 0.00 36.82 35.94 3k4m h ILE 373 CO 0.03 0.30 0.68 0.44 -0.69 0.00 0.00 178.15 178.91 3k4m h ASP 374 N -0.08 0.36 1.36 1.72 3.32 -0.82 -1.26 116.42 121.02 3k4m h ASP 374 Ca 0.03 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3k4m h ASP 374 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3k4m h ASP 374 CO 0.02 0.08 0.00 0.77 -1.72 0.00 0.00 179.24 178.39 3k4m h SER 375 N 0.33 0.00 -0.09 6.45 4.64 -1.04 -2.43 113.55 121.40 3k4m h SER 375 Ca 0.56 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.83 3k4m h SER 375 Cb 1.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.64 3k4m h SER 375 CO -0.23 0.00 -0.08 0.58 -0.87 0.00 0.00 176.83 176.23 3k4m h VAL 376 N 0.00 1.19 -0.37 0.95 2.07 -0.99 -2.72 116.25 116.39 3k4m h VAL 376 Ca 0.00 -0.82 -0.14 0.00 0.82 0.00 0.00 66.70 66.57 3k4m h VAL 376 Cb 0.68 1.10 -0.08 0.00 -1.52 0.00 0.00 31.29 31.47 3k4m h VAL 376 CO 0.00 0.27 0.01 2.29 0.02 0.00 0.00 177.57 180.15 3k4m n LYS 377 N -4.27 2.29 0.26 1.57 2.85 -0.92 -4.75 118.16 115.20 3k4m n LYS 377 Ca 0.00 -3.04 0.10 0.00 -1.05 0.00 0.00 58.31 54.32 3k4m n LYS 377 Cb 0.27 -1.86 0.69 0.00 -0.65 0.00 0.00 35.03 33.48 3k4m n LYS 377 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3k4m h SER 378 N 1.32 0.00 0.23 -5.58 4.64 -1.43 -1.72 113.55 110.99 3k4m h SER 378 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3k4m h SER 378 Cb 1.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 3k4m h SER 378 CO 0.38 0.10 -0.11 0.47 -0.87 0.00 0.00 176.83 176.80 3k4m n ASP 379 N -4.01 0.75 -4.86 4.97 8.00 -1.26 -4.93 116.55 115.21 3k4m n ASP 379 Ca -0.02 -0.86 -0.33 0.00 0.71 0.00 0.00 54.79 54.28 3k4m n ASP 379 Cb 0.19 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 3k4m n ASP 379 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3k4m s MET 380 N -2.34 3.92 -0.19 -1.24 -1.94 -0.65 -4.56 119.30 112.30 3k4m s MET 380 Ca 0.31 0.44 -0.05 0.00 -1.71 0.00 0.00 55.69 54.69 3k4m s MET 380 Cb 0.20 -2.73 -0.02 0.00 2.01 0.00 0.00 34.83 34.29 3k4m s MET 380 CO 0.45 0.36 -0.01 0.99 -0.01 0.00 0.00 175.02 176.79 3k4m s THR 381 N -1.69 3.84 -0.16 2.05 2.01 0.28 -4.94 115.64 117.02 3k4m s THR 381 Ca 0.45 -0.35 -0.00 0.00 0.31 0.00 0.00 61.69 62.09 3k4m s THR 381 Cb -0.13 -2.73 -0.00 0.00 0.01 0.00 0.00 72.50 69.65 3k4m s THR 381 CO 0.20 0.44 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.80 3k4m s ILE 382 N 0.96 2.79 0.00 1.82 1.01 -1.26 -0.95 121.20 125.57 3k4m s ILE 382 Ca 0.01 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 59.97 3k4m s ILE 382 Cb -0.14 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 3k4m s ILE 382 CO 0.01 0.51 -0.13 -0.13 0.00 0.00 0.00 174.94 175.21 3k4m s ARG 383 N 0.80 0.97 1.71 2.79 0.52 0.15 -4.99 118.95 120.90 3k4m s ARG 383 Ca -0.05 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.65 3k4m s ARG 383 Cb -0.15 -0.94 0.00 0.00 0.52 0.00 0.00 34.95 34.37 3k4m s ARG 383 CO 0.00 0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.99 3k4m n GLY 384 N 2.57 -1.59 3.30 -3.53 0.00 -1.26 -0.17 105.19 104.51 3k4m n GLY 384 Ca -0.15 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 3k4m n GLY 384 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k4m s THR 385 N 0.00 2.13 0.45 2.61 -4.23 -1.26 -4.87 115.64 110.47 3k4m s THR 385 Ca 0.00 -1.06 -0.25 0.00 -1.18 0.00 0.00 61.69 59.20 3k4m s THR 385 Cb 0.00 -1.76 -0.08 0.00 1.34 0.00 0.00 72.50 72.00 3k4m s THR 385 CO 0.00 0.58 1.41 -2.65 -0.54 0.00 0.00 174.62 173.42 3k4m n PRO 386 N 2.67 2.20 -0.62 3.99 -0.02 -1.26 -2.14 135.00 139.82 3k4m n PRO 386 Ca -0.17 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3k4m n PRO 386 Cb 0.52 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3k4m n PRO 386 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 387 N 0.61 0.94 3.75 -1.23 0.00 -1.26 -5.00 105.19 103.00 3k4m n GLY 387 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 3k4m n GLY 387 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4m s GLU 388 N -0.32 2.70 0.59 1.61 8.01 -0.91 -5.00 118.70 125.38 3k4m s GLU 388 Ca 0.00 -1.01 0.29 0.00 0.01 0.00 0.00 54.97 54.26 3k4m s GLU 388 Cb 0.00 -2.51 1.60 0.00 -4.31 0.00 0.00 34.13 28.91 3k4m s GLU 388 CO 0.00 0.45 2.04 -0.07 0.01 0.00 0.00 175.26 177.69 3k4m h LEU 389 N 2.34 0.00 -0.08 1.80 4.07 -1.96 -1.59 115.31 119.89 3k4m h LEU 389 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 3k4m h LEU 389 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 3k4m h LEU 389 CO 0.61 0.00 0.00 0.35 -1.08 0.00 0.00 178.44 178.32 3k4m n THR 390 N -3.79 0.59 -2.31 0.22 -2.24 -1.26 -4.91 114.28 100.57 3k4m n THR 390 Ca 0.04 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 3k4m n THR 390 Cb 0.42 -0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 3k4m n THR 390 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3k4m s TYR 391 N -3.12 3.36 -0.03 4.78 5.04 -0.60 -4.52 117.35 122.26 3k4m s TYR 391 Ca 0.10 1.25 -0.00 0.00 -2.44 0.00 0.00 57.07 55.98 3k4m s TYR 391 Cb 0.12 -3.51 0.03 0.00 0.35 0.00 0.00 41.96 38.95 3k4m s TYR 391 CO 0.57 -1.60 0.02 0.45 -1.34 0.00 0.00 175.55 173.64 3k4m s SER 392 N 0.63 0.53 -0.17 4.32 0.15 0.76 -4.99 113.70 114.91 3k4m s SER 392 Ca 0.58 0.00 0.01 0.00 0.70 0.00 0.00 55.95 57.24 3k4m s SER 392 Cb -0.33 -0.19 0.03 0.00 -1.71 0.00 0.00 66.02 63.82 3k4m s SER 392 CO 0.34 -0.14 -0.16 -0.69 1.20 0.00 0.00 173.24 173.79 3k4m s VAL 393 N 1.27 1.81 0.14 4.45 1.01 -1.26 0.31 120.40 128.13 3k4m s VAL 393 Ca -0.06 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3k4m s VAL 393 Cb -0.13 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3k4m s VAL 393 CO -0.02 0.42 0.02 0.42 0.00 0.00 0.00 175.10 175.94 3k4m s THR 394 N 1.37 0.36 0.19 3.92 -4.23 -0.13 -4.95 115.64 112.17 3k4m s THR 394 Ca 0.03 -1.93 -0.04 0.00 -1.18 0.00 0.00 61.69 58.58 3k4m s THR 394 Cb -0.14 -2.00 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 3k4m s THR 394 CO -0.11 -0.55 0.19 -0.72 -0.54 0.00 0.00 174.62 172.90 3k4m s TYR 395 N -3.87 0.90 -0.35 3.99 1.13 -1.26 0.10 117.35 117.99 3k4m s TYR 395 Ca 0.22 -1.18 -0.15 0.00 -1.41 0.00 0.00 57.07 54.55 3k4m s TYR 395 Cb 0.07 -0.37 -0.01 0.00 -1.10 0.00 0.00 41.96 40.55 3k4m s TYR 395 CO 0.01 -0.69 0.34 0.99 -2.51 0.00 0.00 175.55 173.69 3k4m s THR 396 N -4.10 5.19 0.01 -3.49 2.01 -1.26 -5.03 115.64 108.98 3k4m s THR 396 Ca 0.32 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 3k4m s THR 396 Cb 0.05 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.69 3k4m s THR 396 CO 0.09 -0.09 1.46 -2.84 -0.69 0.00 0.00 174.62 172.54 3k4m s PRO 397 N 1.95 4.26 0.00 4.92 0.02 -1.26 -3.31 135.00 141.58 3k4m s PRO 397 Ca 0.10 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3k4m s PRO 397 Cb -0.17 -3.59 0.00 0.00 0.02 0.00 0.00 34.50 30.77 3k4m s PRO 397 CO 0.11 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 3k4m n GLY 398 N 3.72 0.68 3.72 0.52 0.00 -1.26 -5.04 105.19 107.54 3k4m n GLY 398 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3k4m n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m s ALA 399 N -2.11 3.50 -0.68 4.61 0.00 -1.21 -4.91 121.76 120.96 3k4m s ALA 399 Ca 0.00 1.02 0.25 0.00 0.00 0.00 0.00 51.96 53.24 3k4m s ALA 399 Cb 0.00 -3.48 0.88 0.00 0.00 0.00 0.00 23.12 20.52 3k4m s ALA 399 CO 0.00 -0.51 1.76 -1.13 0.00 0.00 0.00 175.76 175.88 3k4m n SER 400 N 3.34 0.71 0.07 0.00 3.41 -1.26 -1.64 113.62 118.25 3k4m n SER 400 Ca 0.08 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 3k4m n SER 400 Cb 0.44 -0.78 0.46 0.00 -0.26 0.00 0.00 64.21 64.07 3k4m n SER 400 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3k4m n THR 401 N -2.20 0.59 -1.85 6.66 -2.24 -1.26 -4.80 114.28 109.19 3k4m n THR 401 Ca 0.05 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 3k4m n THR 401 Cb 0.36 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 3k4m n THR 401 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3k4m s ASN 402 N -3.86 6.50 0.00 3.42 0.01 -0.65 -4.92 114.94 115.44 3k4m s ASN 402 Ca 0.09 2.73 0.28 0.00 -0.71 0.00 0.00 52.86 55.25 3k4m s ASN 402 Cb 0.13 -2.60 1.24 0.00 0.41 0.00 0.00 41.25 40.42 3k4m s ASN 402 CO 0.47 -0.88 1.91 0.29 -1.51 0.00 0.00 177.10 177.38 3k4m n LYS 403 N 3.81 0.10 -4.23 -0.60 4.76 -1.26 -4.90 118.16 115.84 3k4m n LYS 403 Ca 0.14 0.02 -0.16 0.00 -2.87 0.00 0.00 58.31 55.45 3k4m n LYS 403 Cb 0.37 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.96 3k4m n LYS 403 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3k4m s HIS 404 N -2.90 1.27 0.80 2.13 3.76 -1.26 -5.12 115.29 113.96 3k4m s HIS 404 Ca 0.16 -0.66 -0.11 0.00 -0.15 0.00 0.00 55.06 54.31 3k4m s HIS 404 Cb 0.18 -0.66 0.07 0.00 1.11 0.00 0.00 32.58 33.28 3k4m s HIS 404 CO 0.49 0.09 1.09 -1.25 -0.85 0.00 0.00 174.74 174.31 3k4m s PRO 405 N -3.13 2.06 0.30 8.40 0.04 -1.26 -4.81 135.00 136.60 3k4m s PRO 405 Ca 0.11 1.04 0.04 0.00 0.04 0.00 0.00 61.00 62.23 3k4m s PRO 405 Cb -0.02 -1.88 0.65 0.00 0.04 0.00 0.00 34.50 33.29 3k4m s PRO 405 CO 0.01 -1.74 1.83 -0.44 0.04 0.00 0.00 177.00 176.70 3k4m h ASP 406 N -1.20 0.85 -0.75 6.66 3.32 -1.99 -2.47 116.42 120.84 3k4m h ASP 406 Ca -0.45 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 3k4m h ASP 406 Cb 1.24 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 3k4m h ASP 406 CO 0.53 0.41 0.43 4.11 -1.72 0.00 0.00 179.24 183.00 3k4m h TRP 407 N 0.89 1.02 0.43 4.55 5.08 -2.00 -0.18 115.95 125.74 3k4m h TRP 407 Ca 0.51 -0.01 -0.02 0.00 1.08 0.00 0.00 58.89 60.44 3k4m h TRP 407 Cb 0.63 -0.33 0.00 0.00 -3.00 0.00 0.00 29.16 26.46 3k4m h TRP 407 CO -0.00 0.70 -0.21 2.35 -1.28 0.00 0.00 178.44 180.00 3k4m h TRP 408 N 1.06 -0.54 -0.81 0.12 2.91 -1.82 -2.80 115.95 114.07 3k4m h TRP 408 Ca 0.27 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.30 3k4m h TRP 408 Cb 0.01 0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 28.79 3k4m h TRP 408 CO 0.01 -0.24 0.54 -0.91 -1.03 0.00 0.00 178.44 176.81 3k4m h ASN 409 N -0.78 0.91 -0.47 2.65 2.35 -1.29 -2.03 115.58 116.92 3k4m h ASN 409 Ca -0.06 -0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3k4m h ASN 409 Cb 0.54 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.65 3k4m h ASN 409 CO 0.10 0.64 0.21 -0.08 -1.65 0.00 0.00 177.43 176.65 3k4m h GLU 410 N 1.06 0.40 -0.55 0.81 4.57 -1.09 0.18 114.58 119.96 3k4m h GLU 410 Ca 0.31 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.35 3k4m h GLU 410 Cb -0.06 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 3k4m h GLU 410 CO -0.08 0.26 -0.10 0.87 -1.18 0.00 0.00 179.01 178.79 3k4m h LYS 411 N 0.41 1.03 -0.23 1.92 1.57 -1.20 -2.17 116.57 117.90 3k4m h LYS 411 Ca 0.21 -0.37 -0.13 0.00 -1.87 0.00 0.00 60.65 58.48 3k4m h LYS 411 Cb 0.16 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3k4m h LYS 411 CO -0.18 1.06 -0.37 0.28 -0.57 0.00 0.00 179.45 179.67 3k4m h VAL 412 N 0.92 1.31 -0.38 0.50 2.07 -1.13 -1.55 116.25 117.99 3k4m h VAL 412 Ca 0.14 -1.58 0.04 0.00 0.82 0.00 0.00 66.70 66.13 3k4m h VAL 412 Cb 0.66 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 3k4m h VAL 412 CO 0.05 0.50 0.14 0.50 0.02 0.00 0.00 177.57 178.77 3k4m h LYS 413 N 0.37 0.29 -0.14 1.57 3.64 -0.59 0.58 116.57 122.29 3k4m h LYS 413 Ca 0.02 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3k4m h LYS 413 Cb 0.97 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3k4m h LYS 413 CO 0.09 0.19 -0.06 -0.91 -2.27 0.00 0.00 179.45 176.49 3k4m h ASN 414 N 0.30 0.30 -0.38 4.20 2.35 -1.34 0.40 115.58 121.41 3k4m h ASN 414 Ca 0.18 -0.40 0.07 0.00 -0.55 0.00 0.00 56.30 55.60 3k4m h ASN 414 Cb 0.15 -0.08 -0.09 0.00 0.05 0.00 0.00 38.32 38.35 3k4m h ASN 414 CO -0.17 0.63 -0.38 -0.74 -1.65 0.00 0.00 177.43 175.12 3k4m h HIS 415 N -0.03 -1.08 -0.41 1.19 -0.00 -1.22 0.52 115.15 114.12 3k4m h HIS 415 Ca 0.03 0.06 -0.02 0.00 -0.00 0.00 0.00 60.37 60.44 3k4m h HIS 415 Cb 0.52 0.53 -0.02 0.00 -0.00 0.00 0.00 27.41 28.43 3k4m h HIS 415 CO 0.06 -0.42 0.15 0.52 -0.00 0.00 0.00 177.93 178.24 3k4m h MET 416 N -0.31 0.58 0.00 5.26 2.86 -0.71 -1.42 114.93 121.20 3k4m h MET 416 Ca 0.15 -0.08 -0.18 0.00 -2.06 0.00 0.00 59.70 57.52 3k4m h MET 416 Cb 0.57 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 3k4m h MET 416 CO -0.54 0.50 -0.86 0.52 1.06 0.00 0.00 176.91 177.59 3k4m h MET 417 N 0.58 0.07 0.05 1.72 2.07 -0.51 -3.35 114.93 115.57 3k4m h MET 417 Ca 0.14 -0.08 -0.28 0.00 -2.07 0.00 0.00 59.70 57.41 3k4m h MET 417 Cb 0.14 0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 29.87 3k4m h MET 417 CO -0.01 0.88 -1.46 0.37 1.07 0.00 0.00 176.91 177.76 3k4m h GLN 418 N 0.04 0.10 -2.44 1.72 5.75 -0.77 -3.38 115.11 116.14 3k4m h GLN 418 Ca -0.02 -0.18 -0.60 0.00 -0.15 0.00 0.00 58.65 57.70 3k4m h GLN 418 Cb 1.50 0.07 -0.41 0.00 1.07 0.00 0.00 27.48 29.70 3k4m h GLN 418 CO 0.12 0.89 -0.71 0.72 -2.65 0.00 0.00 178.83 177.19 3k4m n HIS 419 N -3.30 2.38 0.88 3.99 8.25 -0.55 -4.93 115.22 121.94 3k4m n HIS 419 Ca -0.13 -4.01 0.11 0.00 -0.26 0.00 0.00 57.72 53.43 3k4m n HIS 419 Cb 1.02 -0.45 0.51 0.00 1.12 0.00 0.00 29.99 32.18 3k4m n HIS 419 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3k4m n GLN 420 N 1.47 0.13 0.00 -0.41 6.02 -1.26 -1.70 117.38 121.64 3k4m n GLN 420 Ca 0.26 0.10 0.12 0.00 -0.01 0.00 0.00 57.00 57.47 3k4m n GLN 420 Cb 0.42 -1.50 0.29 0.00 1.02 0.00 0.00 30.24 30.47 3k4m n GLN 420 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 3k4m n GLU 421 N -1.42 0.19 -3.14 -1.09 0.00 -1.26 -4.36 120.64 109.56 3k4m n GLU 421 Ca 0.07 -0.11 -0.40 0.00 0.00 0.00 0.00 57.16 56.72 3k4m n GLU 421 Cb 0.23 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.10 3k4m n GLU 421 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3k4m s ASP 422 N -2.89 6.61 0.00 -1.84 2.15 -0.69 -4.95 116.67 115.06 3k4m s ASP 422 Ca 0.14 0.74 0.19 0.00 0.43 0.00 0.00 52.55 54.05 3k4m s ASP 422 Cb 0.18 -2.33 1.13 0.00 -0.30 0.00 0.00 42.92 41.60 3k4m s ASP 422 CO 0.65 -0.30 1.62 -0.81 -0.17 0.00 0.00 175.17 176.16 3k4m n PRO 423 N 5.33 0.84 -4.45 4.34 -0.04 -1.26 -4.81 135.00 134.95 3k4m n PRO 423 Ca -0.02 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.15 3k4m n PRO 423 Cb 0.49 -1.35 -0.12 0.00 -0.04 0.00 0.00 33.50 32.48 3k4m n PRO 423 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k4m s LEU 424 N -1.71 2.60 0.00 1.53 1.43 -1.26 -5.03 118.68 116.24 3k4m s LEU 424 Ca 0.28 -0.54 0.28 0.00 -1.03 0.00 0.00 54.13 53.12 3k4m s LEU 424 Cb 0.13 -1.49 1.16 0.00 0.03 0.00 0.00 46.19 46.03 3k4m s LEU 424 CO 0.22 0.21 1.81 -0.81 0.23 0.00 0.00 176.35 178.00 3k4m n PRO 425 N 1.08 1.25 -3.33 1.29 -0.04 -1.26 -4.85 135.00 129.13 3k4m n PRO 425 Ca -0.16 -0.61 -0.38 0.00 -0.04 0.00 0.00 63.50 62.31 3k4m n PRO 425 Cb 0.53 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 3k4m n PRO 425 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3k4m s ILE 426 N -2.17 5.19 0.51 0.52 1.01 -1.26 -4.67 121.20 120.32 3k4m s ILE 426 Ca 0.36 0.88 -0.23 0.00 0.00 0.00 0.00 60.65 61.66 3k4m s ILE 426 Cb 0.21 -3.79 -0.06 0.00 0.01 0.00 0.00 42.46 38.83 3k4m s ILE 426 CO 0.40 0.30 1.32 -2.84 0.00 0.00 0.00 174.94 174.11 3k4m s PRO 427 N 0.87 3.39 0.21 2.79 0.02 -1.26 -4.91 135.00 136.12 3k4m s PRO 427 Ca 0.24 2.15 -0.09 0.00 0.02 0.00 0.00 61.00 63.32 3k4m s PRO 427 Cb -0.15 -2.37 0.26 0.00 0.02 0.00 0.00 34.50 32.27 3k4m s PRO 427 CO 0.09 -0.96 1.81 0.74 -0.33 0.00 0.00 177.00 178.35 3k4m h PHE 428 N 1.76 0.70 -0.36 6.54 0.04 -1.97 -2.61 116.94 121.05 3k4m h PHE 428 Ca -0.50 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.29 3k4m h PHE 428 Cb 1.28 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 39.22 3k4m h PHE 428 CO 0.48 0.33 0.00 0.39 -0.60 0.00 0.00 178.31 178.91 3k4m n GLU 429 N -4.78 2.16 -1.70 1.51 1.02 -1.26 -4.90 120.64 112.69 3k4m n GLU 429 Ca 0.09 -1.44 -0.42 0.00 -0.02 0.00 0.00 57.16 55.37 3k4m n GLU 429 Cb 0.19 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 3k4m n GLU 429 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k4m s ASP 430 N -0.85 6.12 1.11 1.62 2.15 -0.98 -4.93 116.67 120.90 3k4m s ASP 430 Ca 0.26 2.31 -0.15 0.00 0.43 0.00 0.00 52.55 55.40 3k4m s ASP 430 Cb 0.15 -2.52 0.17 0.00 -0.30 0.00 0.00 42.92 40.42 3k4m s ASP 430 CO 0.15 -1.37 0.49 -2.65 -0.17 0.00 0.00 175.17 171.62 3k4m n PRO 431 N 7.94 -1.71 -2.39 4.34 -0.02 -1.26 -4.94 135.00 136.97 3k4m n PRO 431 Ca 0.23 -0.47 -0.30 0.00 -2.02 0.00 0.00 63.50 60.93 3k4m n PRO 431 Cb 0.43 -1.93 -0.01 0.00 -0.02 0.00 0.00 33.50 31.96 3k4m n PRO 431 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3k4m s GLU 432 N -3.89 3.73 0.53 -0.52 1.03 -1.26 -4.43 118.70 113.90 3k4m s GLU 432 Ca 0.61 0.64 -0.20 0.00 0.03 0.00 0.00 54.97 56.05 3k4m s GLU 432 Cb -0.19 -2.22 -0.06 0.00 -0.80 0.00 0.00 34.13 30.87 3k4m s GLU 432 CO 0.65 -0.29 1.18 -1.25 -1.33 0.00 0.00 175.26 174.22 3k4m s PRO 433 N -4.48 3.34 -0.42 -4.83 0.04 -1.26 -4.54 135.00 122.86 3k4m s PRO 433 Ca 0.54 1.76 0.07 0.00 0.04 0.00 0.00 61.00 63.40 3k4m s PRO 433 Cb -0.10 -2.11 0.23 0.00 0.04 0.00 0.00 34.50 32.56 3k4m s PRO 433 CO 0.41 -0.89 0.55 1.04 0.04 0.00 0.00 177.00 178.15 3k4m n GLN 434 N -1.14 0.60 -4.24 4.56 1.13 -1.23 -3.07 117.38 113.98 3k4m n GLN 434 Ca 0.11 -2.91 -0.33 0.00 -1.94 0.00 0.00 57.00 51.94 3k4m n GLN 434 Cb 0.49 -1.36 -0.08 0.00 0.11 0.00 0.00 30.24 29.40 3k4m n GLN 434 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3k4m s VAL 435 N -0.51 4.26 0.01 5.09 1.01 0.15 -0.59 120.40 129.81 3k4m s VAL 435 Ca 0.34 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 3k4m s VAL 435 Cb 0.14 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 3k4m s VAL 435 CO -0.15 0.36 0.06 0.28 0.00 0.00 0.00 175.10 175.66 3k4m s THR 436 N -1.11 0.09 -0.25 3.92 -1.32 0.05 0.76 115.64 117.79 3k4m s THR 436 Ca 0.20 -0.75 -0.04 0.00 -1.21 0.00 0.00 61.69 59.89 3k4m s THR 436 Cb -0.12 -0.34 0.00 0.00 -1.51 0.00 0.00 72.50 70.53 3k4m s THR 436 CO 0.11 -0.41 -0.01 0.28 -2.21 0.00 0.00 174.62 172.38 3k4m s THR 437 N -1.34 3.50 0.72 5.08 -1.32 -1.26 -1.18 115.64 119.83 3k4m s THR 437 Ca -0.14 -0.62 -0.14 0.00 -1.21 0.00 0.00 61.69 59.58 3k4m s THR 437 Cb -0.08 -2.69 0.03 0.00 -1.51 0.00 0.00 72.50 68.25 3k4m s THR 437 CO 0.00 0.29 1.13 -0.76 -2.21 0.00 0.00 174.62 173.07 3k4m s LEU 438 N 1.47 3.26 0.17 9.08 1.43 -1.26 -3.83 118.68 129.00 3k4m s LEU 438 Ca 0.04 2.06 -0.33 0.00 -1.03 0.00 0.00 54.13 54.87 3k4m s LEU 438 Cb -0.15 -4.55 -0.16 0.00 0.03 0.00 0.00 46.19 41.36 3k4m s LEU 438 CO -0.02 -1.97 1.19 0.33 0.23 0.00 0.00 176.35 176.12 3k4m n PHE 439 N -2.85 1.38 -4.15 0.29 -0.00 -1.23 -4.96 117.46 105.95 3k4m n PHE 439 Ca 0.11 0.66 -0.10 0.00 -0.00 0.00 0.00 57.45 58.11 3k4m n PHE 439 Cb 0.52 -2.30 -0.10 0.00 -0.00 0.00 0.00 39.48 37.60 3k4m n PHE 439 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3k4m s GLN 440 N -0.33 1.03 0.28 -4.13 -1.52 -0.72 -4.94 119.66 109.33 3k4m s GLN 440 Ca 0.73 -1.47 0.01 0.00 -1.95 0.00 0.00 55.36 52.68 3k4m s GLN 440 Cb -0.84 0.26 0.53 0.00 -0.22 0.00 0.00 33.01 32.74 3k4m s GLN 440 CO 0.52 -0.31 1.86 -1.35 -0.25 0.00 0.00 175.29 175.75 3k4m h PRO 441 N 2.77 1.00 -0.00 2.91 0.11 -1.99 -0.81 132.00 135.99 3k4m h PRO 441 Ca -0.35 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3k4m h PRO 441 Cb 1.22 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3k4m h PRO 441 CO 0.56 0.66 -0.08 -1.13 -0.21 0.00 0.00 178.00 177.81 3k4m n SER 442 N -4.57 0.14 -3.21 -2.05 3.41 -1.26 -4.08 113.62 102.00 3k4m n SER 442 Ca 0.18 0.05 -0.16 0.00 -0.26 0.00 0.00 58.87 58.68 3k4m n SER 442 Cb 0.30 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 3k4m n SER 442 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3k4m s HIS 443 N -2.79 -0.25 -1.46 7.33 -3.43 -0.42 -5.07 115.29 109.20 3k4m s HIS 443 Ca 0.20 -1.21 -0.10 0.00 -0.80 0.00 0.00 55.06 53.15 3k4m s HIS 443 Cb 0.19 -0.35 0.03 0.00 -1.43 0.00 0.00 32.58 31.03 3k4m s HIS 443 CO 0.52 -1.01 2.46 -0.35 -2.00 0.00 0.00 174.74 174.35 3k4m n PRO 444 N 3.44 3.65 -3.73 -0.38 -0.04 -0.56 -1.75 135.00 135.63 3k4m n PRO 444 Ca 0.19 -2.81 -0.11 0.00 -0.04 0.00 0.00 63.50 60.74 3k4m n PRO 444 Cb 0.49 -2.92 -0.07 0.00 -0.04 0.00 0.00 33.50 30.97 3k4m n PRO 444 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3k4m s TRP 445 N 1.43 -0.11 0.39 0.54 -2.14 -1.26 -4.34 118.94 113.44 3k4m s TRP 445 Ca 0.55 -0.09 -0.07 0.00 2.66 0.00 0.00 56.10 59.15 3k4m s TRP 445 Cb 0.16 0.13 -0.05 0.00 -3.10 0.00 0.00 33.47 30.60 3k4m s TRP 445 CO -0.06 -0.56 0.71 -1.58 -2.66 0.00 0.00 176.95 172.79 3k4m s HIS 446 N -3.01 3.50 0.03 1.66 5.65 -0.38 -3.48 115.29 119.25 3k4m s HIS 446 Ca -0.02 0.85 0.02 0.00 0.25 0.00 0.00 55.06 56.16 3k4m s HIS 446 Cb 0.01 -2.29 -0.02 0.00 -1.18 0.00 0.00 32.58 29.10 3k4m s HIS 446 CO -0.06 -0.06 -0.06 0.95 -0.65 0.00 0.00 174.74 174.85 3k4m s THR 447 N -2.38 0.42 -0.05 0.89 -4.23 -1.25 -0.95 115.64 108.09 3k4m s THR 447 Ca 0.48 -0.88 -0.02 0.00 -1.18 0.00 0.00 61.69 60.09 3k4m s THR 447 Cb -0.10 -0.48 0.04 0.00 1.34 0.00 0.00 72.50 73.29 3k4m s THR 447 CO 0.34 -0.32 0.09 -1.10 -0.54 0.00 0.00 174.62 173.10 3k4m s GLN 448 N -1.28 -0.02 -0.44 3.99 -0.21 -0.59 -4.42 119.66 116.69 3k4m s GLN 448 Ca -0.09 0.38 0.03 0.00 0.02 0.00 0.00 55.36 55.70 3k4m s GLN 448 Cb -0.08 -0.34 0.12 0.00 1.00 0.00 0.00 33.01 33.71 3k4m s GLN 448 CO 0.00 -0.26 0.19 0.42 -2.12 0.00 0.00 175.29 173.52 3k4m s ILE 449 N 1.81 1.97 0.22 1.08 1.01 0.23 -1.67 121.20 125.84 3k4m s ILE 449 Ca -0.01 -2.68 -0.08 0.00 0.00 0.00 0.00 60.65 57.88 3k4m s ILE 449 Cb -0.12 -2.40 0.03 0.00 0.01 0.00 0.00 42.46 39.98 3k4m s ILE 449 CO -0.04 -0.78 0.44 0.00 0.00 0.00 0.00 174.94 174.56 3k4m n HIS 450 N 3.66 -1.75 -3.81 3.97 1.44 -0.83 0.30 115.22 118.19 3k4m n HIS 450 Ca 0.05 -1.04 -0.28 0.00 -2.01 0.00 0.00 57.72 54.44 3k4m n HIS 450 Cb 0.36 0.51 -0.16 0.00 0.12 0.00 0.00 29.99 30.82 3k4m n HIS 450 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3k4m s ARG 451 N -2.06 1.01 0.24 -1.40 1.81 -1.17 -0.23 118.95 117.15 3k4m s ARG 451 Ca 0.09 -0.58 0.06 0.00 -1.72 0.00 0.00 55.73 53.58 3k4m s ARG 451 Cb -0.03 -2.20 -0.03 0.00 -0.45 0.00 0.00 34.95 32.24 3k4m s ARG 451 CO 0.07 -0.59 0.27 0.34 -0.68 0.00 0.00 175.30 174.70 3k4m s ASP 452 N 1.70 5.88 0.16 0.23 -1.08 -1.26 -4.99 116.67 117.31 3k4m s ASP 452 Ca -0.02 -0.10 -0.33 0.00 -0.52 0.00 0.00 52.55 51.58 3k4m s ASP 452 Cb -0.17 -1.61 -0.16 0.00 -1.46 0.00 0.00 42.92 39.52 3k4m s ASP 452 CO -0.07 -0.05 1.12 0.00 0.52 0.00 0.00 175.17 176.69 3k4m n ALA 453 N -1.25 -1.16 -2.85 3.66 0.00 -1.26 -4.98 120.51 112.67 3k4m n ALA 453 Ca -0.08 0.47 -0.13 0.00 0.00 0.00 0.00 53.44 53.70 3k4m n ALA 453 Cb 0.57 -1.98 -0.14 0.00 0.00 0.00 0.00 19.45 17.91 3k4m n ALA 453 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3k4m s PHE 454 N -0.22 0.16 -0.65 0.00 5.36 -1.26 -4.83 117.98 116.55 3k4m s PHE 454 Ca 0.74 -0.07 -0.18 0.00 -0.96 0.00 0.00 56.93 56.46 3k4m s PHE 454 Cb -0.89 -0.10 0.12 0.00 -0.34 0.00 0.00 43.02 41.80 3k4m s PHE 454 CO 0.53 -0.02 0.74 -1.54 -1.46 0.00 0.00 175.22 173.48 3k4m s SER 455 N -0.16 6.28 0.40 6.13 1.04 -1.26 -4.81 113.70 121.32 3k4m s SER 455 Ca -0.01 -1.64 -0.26 0.00 0.48 0.00 0.00 55.95 54.53 3k4m s SER 455 Cb -0.01 -2.30 -0.09 0.00 0.10 0.00 0.00 66.02 63.72 3k4m s SER 455 CO -0.00 -1.05 1.29 0.26 0.98 0.00 0.00 173.24 174.72 3k4m s TRP 456 N 2.39 2.85 0.80 5.02 0.52 -1.26 -5.04 118.94 124.22 3k4m s TRP 456 Ca 0.14 1.42 -0.11 0.00 0.02 0.00 0.00 56.10 57.57 3k4m s TRP 456 Cb -0.21 -3.65 0.08 0.00 -1.15 0.00 0.00 33.47 28.54 3k4m s TRP 456 CO 0.03 -2.02 1.11 0.20 0.02 0.00 0.00 176.95 176.29 3k4m s GLY 457 N -0.76 1.70 0.28 0.98 0.00 -1.26 -4.90 107.32 103.36 3k4m s GLY 457 Ca 0.56 0.35 0.01 0.00 0.00 0.00 0.00 44.72 45.65 3k4m s GLY 457 CO 0.48 0.72 1.71 0.00 0.00 0.00 0.00 173.10 176.01 3k4m h ALA 458 N -1.27 1.34 -0.00 3.20 0.00 -2.00 -2.06 119.26 118.46 3k4m h ALA 458 Ca -0.43 0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 3k4m h ALA 458 Cb 1.24 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3k4m h ALA 458 CO 0.49 -0.27 -0.82 -0.24 0.00 0.00 0.00 179.25 178.41 3k4m h VAL 459 N 0.45 1.51 0.00 0.00 3.04 -1.97 -3.06 116.25 116.21 3k4m h VAL 459 Ca 0.52 -2.57 0.00 0.00 -1.01 0.00 0.00 66.70 63.63 3k4m h VAL 459 Cb 0.91 2.41 0.00 0.00 -2.01 0.00 0.00 31.29 32.60 3k4m h VAL 459 CO -0.48 0.74 0.00 1.56 -1.01 0.00 0.00 177.57 178.38 3k4m h GLN 460 N 0.08 0.00 0.00 4.17 4.20 -1.70 -2.76 115.11 119.10 3k4m h GLN 460 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3k4m h GLN 460 Cb 1.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.20 3k4m h GLN 460 CO 0.12 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.32 3k4m n GLN 461 N -2.55 0.28 0.08 1.46 6.02 -0.88 -2.39 117.38 119.40 3k4m n GLN 461 Ca 0.05 0.05 0.13 0.00 -0.01 0.00 0.00 57.00 57.22 3k4m n GLN 461 Cb 0.46 -1.50 0.43 0.00 1.02 0.00 0.00 30.24 30.65 3k4m n GLN 461 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3k4m n SER 462 N -1.33 0.62 -4.63 1.08 2.88 -1.04 -4.71 113.62 106.48 3k4m n SER 462 Ca 0.11 0.51 -0.38 0.00 -1.33 0.00 0.00 58.87 57.78 3k4m n SER 462 Cb 0.23 -0.64 -0.09 0.00 -0.75 0.00 0.00 64.21 62.96 3k4m n SER 462 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3k4m s ILE 463 N -3.08 5.24 0.04 2.46 -1.09 -1.01 -5.05 121.20 118.71 3k4m s ILE 463 Ca 0.11 0.48 -0.36 0.00 -2.23 0.00 0.00 60.65 58.65 3k4m s ILE 463 Cb 0.14 -3.64 -0.15 0.00 -1.58 0.00 0.00 42.46 37.22 3k4m s ILE 463 CO 0.59 0.24 1.52 -0.67 -1.23 0.00 0.00 174.94 175.39 3k4m n ASP 464 N 4.83 2.39 0.24 3.58 -0.08 -1.26 -4.86 116.55 121.39 3k4m n ASP 464 Ca -0.10 1.09 0.11 0.00 -1.51 0.00 0.00 54.79 54.38 3k4m n ASP 464 Cb 0.51 -1.28 0.59 0.00 2.34 0.00 0.00 41.12 43.29 3k4m n ASP 464 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3k4m h SER 465 N 5.82 0.00 0.48 1.67 4.64 -1.94 -1.79 113.55 122.44 3k4m h SER 465 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3k4m h SER 465 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3k4m h SER 465 CO 0.85 0.18 0.00 0.03 -0.87 0.00 0.00 176.83 177.02 3k4m h ARG 466 N 0.00 0.00 0.00 4.77 3.08 -1.98 -1.53 114.38 118.72 3k4m h ARG 466 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k4m h ARG 466 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3k4m h ARG 466 CO 0.02 0.00 -0.22 -0.07 -1.07 0.00 0.00 179.97 178.64 3k4m h LEU 467 N 0.00 0.00 -9.40 3.04 3.38 -1.69 -3.47 115.31 107.16 3k4m h LEU 467 Ca 0.00 -0.06 -0.61 0.00 0.09 0.00 0.00 57.88 57.30 3k4m h LEU 467 Cb 0.24 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 3k4m h LEU 467 CO 0.00 0.03 -0.38 -0.63 0.09 0.00 0.00 178.44 177.56 3k4m s ILE 468 N -3.14 5.33 0.02 1.22 1.01 -0.58 -0.66 121.20 124.41 3k4m s ILE 468 Ca 0.09 0.44 0.05 0.00 0.00 0.00 0.00 60.65 61.23 3k4m s ILE 468 Cb 0.12 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 3k4m s ILE 468 CO 0.65 0.46 -0.16 -0.69 0.00 0.00 0.00 174.94 175.20 3k4m s VAL 469 N -0.00 1.30 0.03 2.92 1.01 -0.91 -4.94 120.40 119.80 3k4m s VAL 469 Ca 0.15 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 3k4m s VAL 469 Cb -0.13 -1.12 -0.06 0.00 0.00 0.00 0.00 36.38 35.07 3k4m s VAL 469 CO 0.04 0.22 0.60 -1.81 0.00 0.00 0.00 175.10 174.14 3k4m s ASP 470 N -0.78 7.02 -0.17 3.32 1.11 0.68 -1.46 116.67 126.39 3k4m s ASP 470 Ca 0.05 1.22 -0.01 0.00 0.18 0.00 0.00 52.55 53.99 3k4m s ASP 470 Cb -0.07 -2.37 -0.00 0.00 1.07 0.00 0.00 42.92 41.55 3k4m s ASP 470 CO 0.00 0.16 -0.13 0.26 1.18 0.00 0.00 175.17 176.64 3k4m s TRP 471 N -0.50 2.82 -0.14 4.23 0.52 0.13 -1.97 118.94 124.04 3k4m s TRP 471 Ca 0.31 -1.04 -0.00 0.00 0.02 0.00 0.00 56.10 55.38 3k4m s TRP 471 Cb -0.19 -1.93 0.03 0.00 -1.15 0.00 0.00 33.47 30.23 3k4m s TRP 471 CO 0.18 -0.50 -0.08 1.03 0.02 0.00 0.00 176.95 177.60 3k4m s ARG 472 N 0.96 1.63 -0.07 4.98 0.52 -0.67 -2.05 118.95 124.25 3k4m s ARG 472 Ca -0.02 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 54.83 3k4m s ARG 472 Cb -0.15 -1.80 -0.02 0.00 0.52 0.00 0.00 34.95 33.50 3k4m s ARG 472 CO -0.02 -0.31 -0.15 -0.06 0.02 0.00 0.00 175.30 174.78 3k4m s PHE 473 N 1.65 2.71 -0.12 -0.53 0.40 -0.93 -1.54 117.98 119.61 3k4m s PHE 473 Ca 0.04 -0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.11 3k4m s PHE 473 Cb -0.13 -1.67 -0.01 0.00 0.51 0.00 0.00 43.02 41.72 3k4m s PHE 473 CO -0.08 0.09 -0.18 -0.06 0.70 0.00 0.00 175.22 175.69 3k4m s PHE 474 N -0.49 2.70 0.14 0.36 0.40 -0.13 -1.88 117.98 119.08 3k4m s PHE 474 Ca 0.06 -0.88 -0.08 0.00 -0.60 0.00 0.00 56.93 55.43 3k4m s PHE 474 Cb -0.12 -1.80 -0.06 0.00 0.51 0.00 0.00 43.02 41.56 3k4m s PHE 474 CO 0.02 -0.34 0.44 0.20 0.70 0.00 0.00 175.22 176.23 3k4m s GLY 475 N 0.42 2.30 -0.01 4.36 0.00 0.91 -1.25 107.32 114.05 3k4m s GLY 475 Ca -0.13 -0.40 -0.19 0.00 0.00 0.00 0.00 44.72 44.00 3k4m s GLY 475 CO 0.06 -0.23 0.54 1.09 0.00 0.00 0.00 173.10 174.55 3k4m s ARG 476 N -2.35 4.23 -0.16 2.90 1.70 -1.26 -3.59 118.95 120.42 3k4m s ARG 476 Ca 0.39 0.63 -0.01 0.00 -0.47 0.00 0.00 55.73 56.27 3k4m s ARG 476 Cb -0.13 -3.31 -0.01 0.00 -0.57 0.00 0.00 34.95 30.93 3k4m s ARG 476 CO 0.21 0.45 -0.12 0.99 -1.08 0.00 0.00 175.30 175.75 3k4m s THR 477 N -0.41 2.99 0.19 4.99 2.01 -1.26 -4.74 115.64 119.41 3k4m s THR 477 Ca 0.28 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 3k4m s THR 477 Cb -0.18 -2.28 -0.08 0.00 0.01 0.00 0.00 72.50 69.97 3k4m s THR 477 CO 0.16 0.50 1.23 -1.83 -0.69 0.00 0.00 174.62 173.98 3k4m s GLU 478 N 0.75 4.46 0.00 4.92 -1.05 -1.26 -4.27 118.70 122.25 3k4m s GLU 478 Ca -0.05 1.92 -0.30 0.00 -0.15 0.00 0.00 54.97 56.38 3k4m s GLU 478 Cb -0.15 -3.23 -0.05 0.00 -0.44 0.00 0.00 34.13 30.25 3k4m s GLU 478 CO 0.01 -0.13 1.34 -1.25 0.95 0.00 0.00 175.26 176.18 3k4m s PRO 479 N -0.18 4.31 -0.02 -4.83 0.05 -1.26 -4.79 135.00 128.28 3k4m s PRO 479 Ca 0.54 1.89 0.02 0.00 0.05 0.00 0.00 61.00 63.51 3k4m s PRO 479 Cb -0.33 -3.52 0.00 0.00 0.05 0.00 0.00 34.50 30.70 3k4m s PRO 479 CO 0.37 -0.51 -0.09 0.15 0.05 0.00 0.00 177.00 176.97 3k4m s LYS 480 N 2.13 0.91 0.52 4.56 -0.14 -1.26 -4.99 119.74 121.47 3k4m s LYS 480 Ca 0.62 -0.30 0.21 0.00 -1.36 0.00 0.00 55.97 55.14 3k4m s LYS 480 Cb -0.30 -0.86 1.36 0.00 -1.68 0.00 0.00 37.83 36.35 3k4m s LYS 480 CO 0.26 0.11 2.12 1.49 -0.76 0.00 0.00 175.35 178.57 3k4m h GLU 481 N 6.35 0.00 0.00 1.68 4.81 -1.93 -1.90 114.58 123.59 3k4m h GLU 481 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3k4m h GLU 481 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3k4m h GLU 481 CO 0.49 0.07 0.00 -0.85 -0.73 0.00 0.00 179.01 177.99 3k4m n GLU 482 N -4.17 0.06 -2.87 1.92 0.00 -1.26 -4.10 120.64 110.23 3k4m n GLU 482 Ca -0.03 0.13 -0.43 0.00 0.00 0.00 0.00 57.16 56.84 3k4m n GLU 482 Cb 0.15 -1.58 -0.04 0.00 0.00 0.00 0.00 31.44 29.97 3k4m n GLU 482 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 3k4m s ASN 483 N -3.37 6.55 0.04 -1.84 0.01 -0.74 -4.76 114.94 110.83 3k4m s ASN 483 Ca 0.11 0.28 0.04 0.00 -0.71 0.00 0.00 52.86 52.58 3k4m s ASN 483 Cb 0.15 -2.43 -0.02 0.00 0.41 0.00 0.00 41.25 39.35 3k4m s ASN 483 CO 0.47 -0.90 -0.12 -0.54 -1.51 0.00 0.00 177.10 174.50 3k4m s LYS 484 N 3.45 0.80 -0.28 -0.60 1.02 -0.12 -2.05 119.74 121.97 3k4m s LYS 484 Ca 0.35 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.61 3k4m s LYS 484 Cb -0.12 -0.76 0.06 0.00 -0.52 0.00 0.00 37.83 36.49 3k4m s LYS 484 CO 0.21 0.18 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.59 3k4m s LEU 485 N -1.23 3.66 0.39 3.17 2.96 0.58 -0.51 118.68 127.70 3k4m s LEU 485 Ca -0.01 -1.40 0.06 0.00 -0.22 0.00 0.00 54.13 52.55 3k4m s LEU 485 Cb -0.08 -1.60 -0.07 0.00 0.50 0.00 0.00 46.19 44.93 3k4m s LEU 485 CO 0.01 -0.22 0.03 -1.66 -1.32 0.00 0.00 176.35 173.18 3k4m s TRP 486 N 1.14 2.31 -0.05 5.38 1.48 -0.03 -4.49 118.94 124.69 3k4m s TRP 486 Ca -0.07 -0.78 0.04 0.00 -1.06 0.00 0.00 56.10 54.23 3k4m s TRP 486 Cb -0.20 -1.61 0.00 0.00 -1.16 0.00 0.00 33.47 30.50 3k4m s TRP 486 CO -0.04 0.30 -0.15 -0.06 -4.06 0.00 0.00 176.95 172.93 3k4m s PHE 487 N -2.90 1.59 0.48 1.66 0.08 -1.26 0.13 117.98 117.75 3k4m s PHE 487 Ca 0.34 -0.48 -0.23 0.00 0.12 0.00 0.00 56.93 56.67 3k4m s PHE 487 Cb 0.09 -1.09 -0.07 0.00 -0.57 0.00 0.00 43.02 41.38 3k4m s PHE 487 CO 0.17 -0.19 1.26 0.45 -0.10 0.00 0.00 175.22 176.81 3k4m s SER 488 N 0.19 5.90 0.00 1.36 0.15 -0.73 -0.02 113.70 120.55 3k4m s SER 488 Ca -0.06 2.53 0.27 0.00 0.70 0.00 0.00 55.95 59.39 3k4m s SER 488 Cb -0.12 -2.62 0.84 0.00 -1.71 0.00 0.00 66.02 62.41 3k4m s SER 488 CO 0.02 -1.12 1.62 -0.90 1.20 0.00 0.00 173.24 174.06 3k4m n ASP 489 N -0.54 1.03 0.00 5.45 5.68 -1.26 -4.19 116.55 122.72 3k4m n ASP 489 Ca 0.08 -0.94 0.00 0.00 -0.50 0.00 0.00 54.79 53.43 3k4m n ASP 489 Cb 0.46 0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 3k4m n ASP 489 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 3k4m n LYS 490 N -0.57 1.24 -3.57 0.11 0.00 -1.26 -5.05 118.16 109.06 3k4m n LYS 490 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 58.10 3k4m n LYS 490 Cb 0.34 -0.79 -0.05 0.00 0.00 0.00 0.00 35.03 34.53 3k4m n LYS 490 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3k4m s ILE 491 N -1.58 5.09 0.09 3.15 -1.09 -1.26 -5.05 121.20 120.54 3k4m s ILE 491 Ca 0.00 0.47 0.05 0.00 -2.23 0.00 0.00 60.65 58.95 3k4m s ILE 491 Cb 0.00 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 3k4m s ILE 491 CO 0.00 0.29 -0.14 0.42 -1.23 0.00 0.00 174.94 174.28 3k4m s THR 492 N -1.39 1.19 0.00 2.92 -4.23 -1.26 -2.09 115.64 110.77 3k4m s THR 492 Ca 0.33 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 3k4m s THR 492 Cb -0.14 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.48 3k4m s THR 492 CO 0.18 -0.28 0.00 -0.90 -0.54 0.00 0.00 174.62 173.08 3k4m n ASP 493 N 1.05 0.00 -0.17 3.99 5.68 0.40 -4.80 116.55 122.71 3k4m n ASP 493 Ca -0.19 -0.81 0.15 0.00 -0.50 0.00 0.00 54.79 53.43 3k4m n ASP 493 Cb 0.55 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 41.29 3k4m n ASP 493 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k4m n ALA 494 N -3.00 2.66 -1.24 2.12 0.00 -1.26 -0.94 120.51 118.84 3k4m n ALA 494 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.16 3k4m n ALA 494 Cb 0.00 -1.38 0.22 0.00 0.00 0.00 0.00 19.45 18.29 3k4m n ALA 494 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k4m n TYR 495 N -0.62 1.08 -4.11 0.00 4.02 -1.26 -4.98 117.16 111.29 3k4m n TYR 495 Ca 0.21 -1.29 -0.33 0.00 -0.01 0.00 0.00 57.90 56.47 3k4m n TYR 495 Cb 0.22 -0.43 -0.01 0.00 -0.02 0.00 0.00 39.34 39.09 3k4m n TYR 495 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3k4m n ASN 496 N -0.88 -3.21 -4.70 7.72 4.13 -0.12 -4.98 115.26 113.22 3k4m n ASN 496 Ca 0.29 -0.96 -0.23 0.00 1.68 0.00 0.00 54.58 55.36 3k4m n ASN 496 Cb 0.99 -3.07 -0.07 0.00 -1.54 0.00 0.00 39.78 36.09 3k4m n ASN 496 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 3k4m s MET 497 N -6.80 2.37 0.30 3.52 -1.94 -1.26 -4.81 119.30 110.68 3k4m s MET 497 Ca 0.61 -1.47 -0.29 0.00 -1.71 0.00 0.00 55.69 52.83 3k4m s MET 497 Cb -0.33 -2.19 -0.11 0.00 2.01 0.00 0.00 34.83 34.22 3k4m s MET 497 CO 0.90 0.24 1.47 -2.14 -0.01 0.00 0.00 175.02 175.48 3k4m s PRO 498 N -3.77 4.21 -0.11 2.03 0.02 -1.26 -0.45 135.00 135.67 3k4m s PRO 498 Ca 0.34 2.42 -0.30 0.00 0.02 0.00 0.00 61.00 63.49 3k4m s PRO 498 Cb -0.04 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.40 3k4m s PRO 498 CO 0.21 -0.47 1.22 -1.14 -0.33 0.00 0.00 177.00 176.49 3k4m s GLN 499 N -0.93 4.30 0.44 5.54 2.00 -0.89 -4.67 119.66 125.44 3k4m s GLN 499 Ca 0.58 1.65 -0.25 0.00 -2.00 0.00 0.00 55.36 55.34 3k4m s GLN 499 Cb -0.44 -3.65 -0.08 0.00 0.80 0.00 0.00 33.01 29.64 3k4m s GLN 499 CO 0.50 -0.57 1.25 -1.25 -0.50 0.00 0.00 175.29 174.72 3k4m s PRO 500 N 2.82 3.82 -0.01 1.67 0.04 -1.26 -1.78 135.00 140.29 3k4m s PRO 500 Ca 0.55 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.61 3k4m s PRO 500 Cb -0.23 -2.59 0.01 0.00 0.04 0.00 0.00 34.50 31.73 3k4m s PRO 500 CO 0.18 -0.58 -0.00 0.99 0.04 0.00 0.00 177.00 177.63 3k4m s THR 501 N -1.36 0.07 -0.05 1.26 2.01 0.34 -4.67 115.64 113.24 3k4m s THR 501 Ca 0.61 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.60 3k4m s THR 501 Cb -0.35 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 3k4m s THR 501 CO 0.43 0.05 0.11 -0.36 -0.69 0.00 0.00 174.62 174.17 3k4m s PHE 502 N 0.33 3.43 -0.38 4.92 0.08 -1.26 -0.85 117.98 124.26 3k4m s PHE 502 Ca -0.03 0.34 0.01 0.00 0.12 0.00 0.00 56.93 57.36 3k4m s PHE 502 Cb -0.05 -1.83 0.12 0.00 -0.57 0.00 0.00 43.02 40.70 3k4m s PHE 502 CO -0.01 0.62 0.18 0.34 -0.10 0.00 0.00 175.22 176.25 3k4m s ASP 503 N -1.47 3.71 0.01 1.36 -1.08 0.33 -4.59 116.67 114.94 3k4m s ASP 503 Ca 0.20 -2.17 -0.01 0.00 -0.52 0.00 0.00 52.55 50.05 3k4m s ASP 503 Cb -0.12 -0.88 -0.01 0.00 -1.46 0.00 0.00 42.92 40.45 3k4m s ASP 503 CO 0.11 -0.33 0.00 0.12 0.52 0.00 0.00 175.17 175.59 3k4m s PHE 504 N 0.95 0.13 -0.14 -5.34 2.19 0.16 -0.94 117.98 114.99 3k4m s PHE 504 Ca 0.15 -0.26 -0.12 0.00 0.33 0.00 0.00 56.93 57.03 3k4m s PHE 504 Cb -0.21 -0.10 0.04 0.00 -1.31 0.00 0.00 43.02 41.44 3k4m s PHE 504 CO -0.10 -0.12 0.37 1.03 1.83 0.00 0.00 175.22 178.23 3k4m s ARG 505 N -0.83 0.41 0.06 10.12 1.81 -1.26 -4.08 118.95 125.17 3k4m s ARG 505 Ca -0.09 0.56 -0.32 0.00 -1.72 0.00 0.00 55.73 54.16 3k4m s ARG 505 Cb -0.06 0.15 -0.11 0.00 -0.45 0.00 0.00 34.95 34.48 3k4m s ARG 505 CO -0.00 -0.08 1.86 1.19 -0.68 0.00 0.00 175.30 177.59 3k4m n PHE 506 N 3.20 2.50 -1.61 -0.53 3.72 -1.26 -4.87 117.46 118.61 3k4m n PHE 506 Ca -0.16 -0.14 -0.45 0.00 -0.05 0.00 0.00 57.45 56.66 3k4m n PHE 506 Cb 0.57 -2.72 -0.02 0.00 -0.94 0.00 0.00 39.48 36.37 3k4m n PHE 506 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3k4m n PRO 507 N 6.10 1.52 -0.93 -1.08 -0.02 -1.26 -4.86 135.00 134.46 3k4m n PRO 507 Ca 0.19 0.54 -0.30 0.00 -2.02 0.00 0.00 63.50 61.91 3k4m n PRO 507 Cb 0.36 -2.00 0.17 0.00 -0.02 0.00 0.00 33.50 32.00 3k4m n PRO 507 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k4m s ALA 508 N -0.76 1.14 0.00 3.55 0.00 -1.26 -3.01 121.76 121.43 3k4m s ALA 508 Ca 0.62 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.70 3k4m s ALA 508 Cb -0.70 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.14 3k4m s ALA 508 CO 0.57 -2.74 0.00 0.41 0.00 0.00 0.00 175.76 174.00 3k4m n GLY 509 N -0.37 0.64 0.29 0.00 0.00 -1.26 -4.45 105.19 100.04 3k4m n GLY 509 Ca 0.08 -1.31 0.05 0.00 0.00 0.00 0.00 46.02 44.83 3k4m n GLY 509 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3k4m h ARG 510 N 0.00 0.06 -0.93 1.61 2.43 -1.98 -0.16 114.38 115.40 3k4m h ARG 510 Ca 0.00 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3k4m h ARG 510 Cb 0.00 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 3k4m h ARG 510 CO 0.00 0.04 0.61 1.15 -1.51 0.00 0.00 179.97 180.25 3k4m h THR 511 N 0.06 1.18 0.23 0.20 2.02 -1.78 0.44 112.91 115.25 3k4m h THR 511 Ca 0.42 -0.41 -0.30 0.00 0.77 0.00 0.00 66.41 66.89 3k4m h THR 511 Cb 0.72 -0.12 0.04 0.00 -1.74 0.00 0.00 68.15 67.05 3k4m h THR 511 CO -0.74 0.22 -1.31 0.28 0.37 0.00 0.00 175.52 174.34 3k4m h SER 512 N 1.19 0.76 -0.81 4.18 0.02 -1.01 -2.30 113.55 115.58 3k4m h SER 512 Ca 0.36 -0.93 0.03 0.00 -0.84 0.00 0.00 61.79 60.41 3k4m h SER 512 Cb -0.04 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.21 3k4m h SER 512 CO -0.11 1.63 0.52 0.50 -1.14 0.00 0.00 176.83 178.24 3k4m h LYS 513 N 0.01 0.98 -0.44 3.45 3.64 -0.99 -1.62 116.57 121.61 3k4m h LYS 513 Ca -0.23 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 58.99 3k4m h LYS 513 Cb 2.04 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.62 3k4m h LYS 513 CO 0.25 0.65 -0.14 0.93 -2.27 0.00 0.00 179.45 178.86 3k4m h GLU 514 N 1.01 0.87 -0.95 1.90 5.08 -0.93 -1.72 114.58 119.84 3k4m h GLU 514 Ca 0.33 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3k4m h GLU 514 Cb 0.01 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 3k4m h GLU 514 CO -0.11 0.99 0.63 0.00 -1.00 0.00 0.00 179.01 179.51 3k4m h ALA 515 N 0.85 1.21 -0.01 3.43 0.00 -1.11 0.62 119.26 124.25 3k4m h ALA 515 Ca 0.11 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.69 3k4m h ALA 515 Cb 0.69 -0.38 0.02 0.00 0.00 0.00 0.00 17.79 18.13 3k4m h ALA 515 CO 0.05 0.58 -1.02 1.49 0.00 0.00 0.00 179.25 180.35 3k4m h GLU 516 N 1.27 0.70 0.00 0.00 4.57 -1.13 -1.90 114.58 118.09 3k4m h GLU 516 Ca 0.35 -0.74 -0.01 0.00 -1.18 0.00 0.00 59.36 57.78 3k4m h GLU 516 Cb -0.12 0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3k4m h GLU 516 CO -0.08 1.31 -0.06 -0.44 -1.18 0.00 0.00 179.01 178.56 3k4m h ASP 517 N 0.40 0.00 -0.02 1.04 3.32 -0.75 -0.84 116.42 119.56 3k4m h ASP 517 Ca -0.12 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3k4m h ASP 517 Cb 1.67 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.22 3k4m h ASP 517 CO 0.20 0.06 -0.02 -0.03 -1.72 0.00 0.00 179.24 177.73 3k4m h MET 518 N 0.00 0.05 -0.55 3.56 4.05 0.67 -1.26 114.93 121.46 3k4m h MET 518 Ca -0.00 -0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.50 3k4m h MET 518 Cb 0.14 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 30.85 3k4m h MET 518 CO 0.01 0.54 -0.02 1.98 0.23 0.00 0.00 176.91 179.65 3k4m h MET 519 N -0.43 0.10 -0.67 0.39 1.85 -0.49 -1.64 114.93 114.04 3k4m h MET 519 Ca 0.00 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 3k4m h MET 519 Cb 0.53 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.51 3k4m h MET 519 CO 0.01 0.06 0.31 1.15 -0.40 0.00 0.00 176.91 178.04 3k4m h THR 520 N 0.10 1.23 -0.93 -0.77 2.02 -1.09 -0.18 112.91 113.28 3k4m h THR 520 Ca 0.28 -0.65 0.01 0.00 0.77 0.00 0.00 66.41 66.81 3k4m h THR 520 Cb 0.43 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 3k4m h THR 520 CO -0.48 0.27 0.60 -0.78 0.37 0.00 0.00 175.52 175.50 3k4m h ASP 521 N 0.93 1.08 -0.66 4.18 3.58 -0.48 -0.60 116.42 124.46 3k4m h ASP 521 Ca 0.23 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.55 3k4m h ASP 521 Cb 0.13 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 3k4m h ASP 521 CO -0.03 0.79 0.07 -0.03 -2.88 0.00 0.00 179.24 177.17 3k4m h MET 522 N 1.26 1.11 -0.65 0.28 4.05 -0.43 0.87 114.93 121.42 3k4m h MET 522 Ca 0.34 -0.31 0.05 0.00 -0.28 0.00 0.00 59.70 59.49 3k4m h MET 522 Cb -0.12 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.52 3k4m h MET 522 CO -0.07 1.03 0.43 0.00 0.23 0.00 0.00 176.91 178.53 3k4m h VAL 524 N 0.72 1.31 -0.00 0.00 2.07 -0.50 -3.06 116.25 116.78 3k4m h VAL 524 Ca 0.27 -2.43 -0.00 0.00 0.82 0.00 0.00 66.70 65.36 3k4m h VAL 524 Cb 0.15 2.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 3k4m h VAL 524 CO -0.08 0.66 -0.00 -0.03 0.02 0.00 0.00 177.57 178.14 3k4m h MET 525 N -0.49 0.01 -0.92 1.57 4.05 -0.87 -3.12 114.93 115.16 3k4m h MET 525 Ca -0.21 -0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.32 3k4m h MET 525 Cb 1.57 -0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 32.29 3k4m h MET 525 CO 0.06 0.33 0.56 0.66 0.23 0.00 0.00 176.91 178.75 3k4m h SER 526 N -0.31 0.81 -0.24 1.39 4.64 -1.41 -0.57 113.55 117.86 3k4m h SER 526 Ca 0.00 0.05 0.07 0.00 -0.47 0.00 0.00 61.79 61.44 3k4m h SER 526 Cb 0.32 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3k4m h SER 526 CO 0.00 0.45 0.52 0.00 -0.87 0.00 0.00 176.83 176.93 3k4m h ALA 527 N 1.50 1.83 0.00 5.18 0.00 -1.46 -0.29 119.26 126.01 3k4m h ALA 527 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3k4m h ALA 527 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3k4m h ALA 527 CO -0.26 -0.64 0.00 1.63 0.00 0.00 0.00 179.25 179.98 3k4m n LYS 528 N -3.18 0.04 -0.05 0.00 5.02 -0.22 -3.68 118.16 116.09 3k4m n LYS 528 Ca 0.04 0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.26 3k4m n LYS 528 Cb 0.63 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.09 3k4m n LYS 528 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3k4m n ILE 529 N -1.48 0.63 -3.62 -0.18 2.08 -0.16 -4.98 119.36 111.65 3k4m n ILE 529 Ca 0.08 -0.23 -0.03 0.00 0.56 0.00 0.00 62.75 63.12 3k4m n ILE 529 Cb 0.32 -0.94 -0.02 0.00 -0.75 0.00 0.00 39.64 38.25 3k4m n ILE 529 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3k4m s GLY 530 N -5.07 -0.22 0.85 7.39 0.00 -0.98 -1.02 107.32 108.27 3k4m s GLY 530 Ca -0.15 1.84 -0.10 0.00 0.00 0.00 0.00 44.72 46.31 3k4m s GLY 530 CO 0.25 0.63 1.12 -0.32 0.00 0.00 0.00 173.10 174.78 3k4m s GLY 531 N -2.01 1.68 0.71 0.20 0.00 -1.22 -4.13 107.32 102.55 3k4m s GLY 531 Ca 0.10 0.41 -0.15 0.00 0.00 0.00 0.00 44.72 45.08 3k4m s GLY 531 CO -0.04 0.81 1.20 -1.36 0.00 0.00 0.00 173.10 173.71 3k4m s PHE 532 N -2.77 2.13 -0.27 1.90 0.08 -1.26 -0.70 117.98 117.08 3k4m s PHE 532 Ca 0.64 1.58 -0.22 0.00 0.12 0.00 0.00 56.93 59.05 3k4m s PHE 532 Cb -0.20 -3.45 -0.01 0.00 -0.57 0.00 0.00 43.02 38.79 3k4m s PHE 532 CO 0.57 -2.50 0.73 -1.17 -0.10 0.00 0.00 175.22 172.75 3k4m s LEU 533 N -5.01 4.08 0.12 -0.37 2.96 0.10 -4.61 118.68 115.96 3k4m s LEU 533 Ca 0.74 0.77 -0.34 0.00 -0.22 0.00 0.00 54.13 55.08 3k4m s LEU 533 Cb -0.29 -3.00 -0.17 0.00 0.50 0.00 0.00 46.19 43.23 3k4m s LEU 533 CO 0.44 -0.48 1.06 -2.65 -1.32 0.00 0.00 176.35 173.40 3k4m n PRO 534 N 5.93 0.69 -0.38 0.98 -0.02 -1.26 -0.16 135.00 140.78 3k4m n PRO 534 Ca 0.02 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3k4m n PRO 534 Cb 0.48 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 3k4m n PRO 534 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 535 N 1.93 1.54 2.63 -1.23 0.00 -1.26 -4.77 105.19 104.03 3k4m n GLY 535 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 3k4m n GLY 535 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k4m n SER 536 N 0.00 1.80 -4.83 1.61 7.64 0.77 -5.00 113.62 115.60 3k4m n SER 536 Ca 0.00 -2.83 -0.32 0.00 1.01 0.00 0.00 58.87 56.74 3k4m n SER 536 Cb 0.00 -0.52 0.01 0.00 -1.01 0.00 0.00 64.21 62.69 3k4m n SER 536 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k4m s LEU 537 N -3.16 3.36 0.31 -3.43 1.43 -1.25 -2.07 118.68 113.87 3k4m s LEU 537 Ca 0.30 1.61 -0.29 0.00 -1.03 0.00 0.00 54.13 54.71 3k4m s LEU 537 Cb 0.45 -4.50 -0.11 0.00 0.03 0.00 0.00 46.19 42.06 3k4m s LEU 537 CO 0.01 -1.04 1.54 -2.16 0.23 0.00 0.00 176.35 174.93 3k4m s PRO 538 N -4.61 4.14 -0.02 1.29 0.04 -1.25 -4.62 135.00 129.96 3k4m s PRO 538 Ca 0.59 2.53 -0.28 0.00 0.04 0.00 0.00 61.00 63.88 3k4m s PRO 538 Cb -0.13 -3.02 0.06 0.00 0.04 0.00 0.00 34.50 31.45 3k4m s PRO 538 CO 0.45 -0.57 0.62 1.14 0.04 0.00 0.00 177.00 178.68 3k4m s GLN 539 N -0.90 1.03 -0.07 4.56 -2.07 -0.59 -4.98 119.66 116.65 3k4m s GLN 539 Ca 0.60 0.12 -0.30 0.00 -1.82 0.00 0.00 55.36 53.96 3k4m s GLN 539 Cb -0.47 0.48 -0.02 0.00 -1.09 0.00 0.00 33.01 31.91 3k4m s GLN 539 CO 0.51 -0.33 1.04 -0.06 -1.32 0.00 0.00 175.29 175.12 3k4m s PHE 540 N -1.49 3.50 0.57 9.60 0.08 -1.26 -1.17 117.98 127.81 3k4m s PHE 540 Ca -0.10 1.55 -0.13 0.00 0.12 0.00 0.00 56.93 58.38 3k4m s PHE 540 Cb -0.01 -3.22 -0.05 0.00 -0.57 0.00 0.00 43.02 39.17 3k4m s PHE 540 CO 0.07 -0.37 1.00 -1.64 -0.10 0.00 0.00 175.22 174.17 3k4m s MET 541 N 1.77 3.72 0.23 0.44 -1.94 0.56 -4.98 119.30 119.09 3k4m s MET 541 Ca 0.51 0.79 -0.32 0.00 -1.71 0.00 0.00 55.69 54.96 3k4m s MET 541 Cb -0.20 -2.12 -0.13 0.00 2.01 0.00 0.00 34.83 34.39 3k4m s MET 541 CO 0.21 -0.44 1.60 -0.85 -0.01 0.00 0.00 175.02 175.54 3k4m n GLU 542 N -2.30 2.50 -1.69 2.03 0.28 -1.26 -4.73 120.64 115.46 3k4m n GLU 542 Ca 0.06 0.90 -0.44 0.00 -0.16 0.00 0.00 57.16 57.52 3k4m n GLU 542 Cb 0.54 -2.68 -0.02 0.00 1.43 0.00 0.00 31.44 30.71 3k4m n GLU 542 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 3k4m n PRO 543 N 3.02 2.20 0.00 3.44 -0.02 -1.26 0.49 135.00 142.87 3k4m n PRO 543 Ca 0.13 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3k4m n PRO 543 Cb 0.33 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 3k4m n PRO 543 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 544 N 1.83 2.96 0.40 -1.23 0.00 -1.26 -0.38 105.19 107.51 3k4m n GLY 544 Ca 0.09 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.34 3k4m n GLY 544 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k4m h LEU 545 N 0.00 0.00 -1.35 0.99 5.85 -0.03 0.15 115.31 120.92 3k4m h LEU 545 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3k4m h LEU 545 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3k4m h LEU 545 CO 0.00 0.00 -0.17 1.62 -0.34 0.00 0.00 178.44 179.55 3k4m h VAL 546 N 0.00 0.48 -5.18 1.05 3.04 -1.86 -3.48 116.25 110.31 3k4m h VAL 546 Ca 0.29 -0.92 -0.31 0.00 -1.01 0.00 0.00 66.70 64.76 3k4m h VAL 546 Cb 1.19 1.64 0.14 0.00 -2.01 0.00 0.00 31.29 32.25 3k4m h VAL 546 CO -0.00 0.17 -0.63 0.18 -1.01 0.00 0.00 177.57 176.27 3k4m n LEU 547 N -3.40 -3.54 -0.55 3.16 4.77 0.04 -4.92 117.00 112.56 3k4m n LEU 547 Ca -0.00 -0.51 0.06 0.00 -0.03 0.00 0.00 56.01 55.53 3k4m n LEU 547 Cb 0.37 -2.75 0.11 0.00 -2.33 0.00 0.00 43.42 38.82 3k4m n LEU 547 CO 0.32 0.43 0.36 1.41 -1.33 0.00 0.00 177.39 178.57 3k4m n HIS 548 N -4.12 0.00 -1.66 -1.77 8.25 -1.26 -5.01 115.22 109.65 3k4m n HIS 548 Ca -0.14 -0.82 -0.45 0.00 -0.26 0.00 0.00 57.72 56.05 3k4m n HIS 548 Cb 0.61 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.54 3k4m n HIS 548 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3k4m n LEU 549 N -0.70 2.91 -4.16 2.41 7.94 -1.26 -4.64 117.00 119.50 3k4m n LEU 549 Ca 0.11 1.16 -0.15 0.00 -1.11 0.00 0.00 56.01 56.02 3k4m n LEU 549 Cb 0.75 -1.40 -0.07 0.00 0.53 0.00 0.00 43.42 43.23 3k4m n LEU 549 CO -0.01 -0.64 -0.00 -0.83 -1.11 0.00 0.00 177.39 174.79 3k4m s GLY 550 N 0.10 1.62 -1.44 -3.96 0.00 -0.62 -4.36 107.32 98.65 3k4m s GLY 550 Ca 0.66 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.74 3k4m s GLY 550 CO 0.53 -1.17 0.00 0.61 0.00 0.00 0.00 173.10 173.06 3k4m n GLY 551 N -0.50 1.38 0.22 0.20 0.00 -0.28 -2.31 105.19 103.91 3k4m n GLY 551 Ca 0.03 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.94 3k4m n GLY 551 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3k4m h THR 552 N 0.00 0.44 -0.78 2.61 1.35 -1.77 -3.32 112.91 111.45 3k4m h THR 552 Ca -0.28 -1.11 -0.33 0.00 -0.55 0.00 0.00 66.41 64.14 3k4m h THR 552 Cb 1.01 1.80 -0.26 0.00 -1.73 0.00 0.00 68.15 68.97 3k4m h THR 552 CO 0.41 0.19 -0.77 0.00 -0.25 0.00 0.00 175.52 175.09 3k4m n HIS 553 N -3.30 -1.28 -2.10 4.73 1.44 -0.94 -0.65 115.22 113.12 3k4m n HIS 553 Ca 0.01 -2.73 -0.36 0.00 -2.01 0.00 0.00 57.72 52.63 3k4m n HIS 553 Cb 0.45 0.70 0.02 0.00 0.12 0.00 0.00 29.99 31.28 3k4m n HIS 553 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3k4m s ARG 554 N -1.07 3.11 0.26 -1.40 1.70 -1.13 -4.17 118.95 116.25 3k4m s ARG 554 Ca 0.28 1.76 -0.08 0.00 -0.47 0.00 0.00 55.73 57.23 3k4m s ARG 554 Cb 0.35 -1.96 -0.06 0.00 -0.57 0.00 0.00 34.95 32.71 3k4m s ARG 554 CO -0.05 -1.08 0.56 1.41 -1.08 0.00 0.00 175.30 175.05 3k4m s MET 555 N -3.31 3.73 0.00 3.89 -2.45 0.68 0.27 119.30 122.11 3k4m s MET 555 Ca 0.76 0.17 0.00 0.00 -1.25 0.00 0.00 55.69 55.36 3k4m s MET 555 Cb -0.28 -2.64 0.00 0.00 1.25 0.00 0.00 34.83 33.16 3k4m s MET 555 CO 0.31 0.26 0.00 0.41 1.05 0.00 0.00 175.02 177.05 3k4m n GLY 556 N -0.51 -0.06 0.19 2.11 0.00 -0.46 -4.52 105.19 101.94 3k4m n GLY 556 Ca -0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 3k4m n GLY 556 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3k4m h PHE 557 N 0.00 0.80 -3.24 1.61 0.04 -1.92 -3.35 116.94 110.88 3k4m h PHE 557 Ca 0.00 -0.31 -0.47 0.00 2.80 0.00 0.00 57.97 59.99 3k4m h PHE 557 Cb 0.00 -0.14 -0.38 0.00 2.20 0.00 0.00 35.95 37.63 3k4m h PHE 557 CO 0.00 1.08 -0.78 0.34 -0.60 0.00 0.00 178.31 178.36 3k4m s ASP 558 N -6.68 1.92 0.30 2.17 2.15 -1.26 -4.93 116.67 110.33 3k4m s ASP 558 Ca -0.12 -0.24 0.05 0.00 0.43 0.00 0.00 52.55 52.67 3k4m s ASP 558 Cb 0.07 -0.58 0.81 0.00 -0.30 0.00 0.00 42.92 42.92 3k4m s ASP 558 CO 0.84 -0.19 1.65 -0.08 -0.17 0.00 0.00 175.17 177.23 3k4m h GLU 559 N 8.27 0.25 0.05 4.34 4.81 -1.86 0.45 114.58 130.88 3k4m h GLU 559 Ca -0.22 -0.01 -0.31 0.00 -0.13 0.00 0.00 59.36 58.69 3k4m h GLU 559 Cb 1.13 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 3k4m h GLU 559 CO 0.31 0.16 -1.70 1.17 -0.73 0.00 0.00 179.01 178.22 3k4m n LYS 560 N -5.17 0.65 0.14 1.92 4.81 -1.26 -2.32 118.16 116.93 3k4m n LYS 560 Ca 0.24 0.41 -0.01 0.00 -0.87 0.00 0.00 58.31 58.09 3k4m n LYS 560 Cb 0.76 -1.70 0.24 0.00 0.02 0.00 0.00 35.03 34.34 3k4m n LYS 560 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3k4m h GLU 561 N -0.53 0.08 -0.55 1.64 5.08 -1.79 -3.00 114.58 115.52 3k4m h GLU 561 Ca -0.42 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3k4m h GLU 561 Cb 1.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.90 3k4m h GLU 561 CO -0.10 0.55 0.00 -0.25 -1.00 0.00 0.00 179.01 178.21 3k4m n ASP 562 N -3.96 3.47 -3.77 1.42 8.00 0.15 -5.01 116.55 116.85 3k4m n ASP 562 Ca -0.02 -2.01 -0.34 0.00 0.71 0.00 0.00 54.79 53.14 3k4m n ASP 562 Cb 0.51 -0.37 0.03 0.00 -0.02 0.00 0.00 41.12 41.28 3k4m n ASP 562 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k4m n ASN 563 N 1.10 -5.09 -3.37 -2.24 4.13 -1.14 -4.89 115.26 103.77 3k4m n ASN 563 Ca 0.18 -1.05 -0.17 0.00 1.68 0.00 0.00 54.58 55.22 3k4m n ASN 563 Cb 0.53 -2.84 -0.06 0.00 -1.54 0.00 0.00 39.78 35.87 3k4m n ASN 563 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k4m s VAL 566 N -1.71 0.96 0.81 0.00 -7.23 -0.95 -2.62 120.40 109.68 3k4m s VAL 566 Ca 0.00 -1.46 -0.08 0.00 -1.81 0.00 0.00 61.98 58.64 3k4m s VAL 566 Cb 0.00 -1.17 0.15 0.00 0.56 0.00 0.00 36.38 35.92 3k4m s VAL 566 CO 0.00 -0.42 1.13 0.54 -0.31 0.00 0.00 175.10 176.04 3k4m s ASN 567 N -2.09 3.93 0.13 4.85 2.20 -0.58 -1.36 114.94 122.03 3k4m s ASN 567 Ca 0.01 0.01 0.18 0.00 -0.94 0.00 0.00 52.86 52.12 3k4m s ASN 567 Cb -0.06 -0.30 0.77 0.00 -2.00 0.00 0.00 41.25 39.65 3k4m s ASN 567 CO 0.01 -2.16 1.55 0.35 -2.94 0.00 0.00 177.10 173.90 3k4m n THR 568 N -3.22 1.01 1.69 0.54 -2.24 -1.25 0.66 114.28 111.48 3k4m n THR 568 Ca 0.14 0.30 0.07 0.00 -2.27 0.00 0.00 64.05 62.29 3k4m n THR 568 Cb 0.60 -1.16 0.36 0.00 -2.10 0.00 0.00 70.33 68.03 3k4m n THR 568 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k4m n ASP 569 N -1.87 0.61 -1.87 3.42 8.00 -1.26 -4.70 116.55 118.87 3k4m n ASP 569 Ca 0.02 -1.66 -0.19 0.00 0.71 0.00 0.00 54.79 53.67 3k4m n ASP 569 Cb 0.17 -0.05 -0.04 0.00 -0.02 0.00 0.00 41.12 41.18 3k4m n ASP 569 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3k4m n SER 570 N -0.32 -5.41 -4.74 -2.24 7.64 0.21 -4.24 113.62 104.51 3k4m n SER 570 Ca 0.12 0.19 -0.39 0.00 1.01 0.00 0.00 58.87 59.80 3k4m n SER 570 Cb 0.14 -4.51 -0.05 0.00 -1.01 0.00 0.00 64.21 58.78 3k4m n SER 570 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3k4m s ARG 571 N -4.38 4.37 -0.01 1.43 3.52 -1.26 -0.93 118.95 121.69 3k4m s ARG 571 Ca 0.00 0.77 -0.30 0.00 -0.13 0.00 0.00 55.73 56.06 3k4m s ARG 571 Cb 0.00 -3.39 -0.05 0.00 -1.56 0.00 0.00 34.95 29.95 3k4m s ARG 571 CO 0.00 0.23 1.35 0.08 -0.81 0.00 0.00 175.30 176.16 3k4m s VAL 572 N 0.25 3.84 0.27 7.11 1.01 -0.45 -1.52 120.40 130.91 3k4m s VAL 572 Ca 0.33 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 63.23 3k4m s VAL 572 Cb -0.18 -3.78 -0.14 0.00 0.00 0.00 0.00 36.38 32.28 3k4m s VAL 572 CO 0.17 -0.00 1.00 0.49 0.00 0.00 0.00 175.10 176.75 3k4m n PHE 573 N 5.35 1.17 0.00 5.22 3.72 -1.08 -1.97 117.46 129.87 3k4m n PHE 573 Ca 0.13 0.72 0.00 0.00 -0.05 0.00 0.00 57.45 58.24 3k4m n PHE 573 Cb 0.44 -2.24 0.00 0.00 -0.94 0.00 0.00 39.48 36.75 3k4m n PHE 573 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k4m n GLY 574 N 1.36 3.04 3.71 1.37 0.00 -1.26 -4.99 105.19 108.41 3k4m n GLY 574 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3k4m n GLY 574 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4m s PHE 575 N -1.85 3.30 0.21 1.61 0.40 -0.83 -4.22 117.98 116.60 3k4m s PHE 575 Ca 0.00 0.21 0.12 0.00 -0.60 0.00 0.00 56.93 56.67 3k4m s PHE 575 Cb 0.00 -1.94 0.35 0.00 0.51 0.00 0.00 43.02 41.94 3k4m s PHE 575 CO 0.00 0.40 1.59 0.87 0.70 0.00 0.00 175.22 178.78 3k4m h LYS 576 N 5.76 0.00 0.00 0.44 1.79 -1.54 -3.40 116.57 119.62 3k4m h LYS 576 Ca -0.46 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 57.90 3k4m h LYS 576 Cb 1.19 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.59 3k4m h LYS 576 CO 0.62 0.60 -0.82 0.27 -1.08 0.00 0.00 179.45 179.04 3k4m n ASN 577 N -3.66 0.86 -4.01 0.86 6.94 -1.26 -5.01 115.26 109.98 3k4m n ASN 577 Ca -0.01 -2.21 -0.31 0.00 -0.02 0.00 0.00 54.58 52.04 3k4m n ASN 577 Cb 0.63 -0.30 -0.16 0.00 -2.36 0.00 0.00 39.78 37.59 3k4m n ASN 577 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3k4m s LEU 578 N -0.39 2.15 0.11 -4.53 2.96 -1.26 -0.07 118.68 117.66 3k4m s LEU 578 Ca 0.26 -0.78 0.10 0.00 -0.22 0.00 0.00 54.13 53.48 3k4m s LEU 578 Cb 0.29 -1.24 -0.04 0.00 0.50 0.00 0.00 46.19 45.70 3k4m s LEU 578 CO -0.11 -0.11 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.23 3k4m s PHE 579 N 1.40 2.45 -0.08 5.38 0.40 0.91 -1.35 117.98 127.09 3k4m s PHE 579 Ca 0.01 -0.31 0.04 0.00 -0.60 0.00 0.00 56.93 56.06 3k4m s PHE 579 Cb -0.15 -1.32 0.00 0.00 0.51 0.00 0.00 43.02 42.06 3k4m s PHE 579 CO -0.09 0.35 -0.21 -0.51 0.70 0.00 0.00 175.22 175.46 3k4m s LEU 580 N -2.02 1.96 0.04 -0.37 1.43 -0.10 -0.80 118.68 118.82 3k4m s LEU 580 Ca 0.16 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.88 3k4m s LEU 580 Cb -0.10 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 3k4m s LEU 580 CO 0.08 0.14 -0.23 -0.83 0.23 0.00 0.00 176.35 175.74 3k4m s GLY 581 N 0.29 1.24 0.00 -3.19 0.00 0.23 -4.76 107.32 101.12 3k4m s GLY 581 Ca -0.14 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.45 3k4m s GLY 581 CO 0.06 -1.04 0.00 0.61 0.00 0.00 0.00 173.10 172.73 3k4m n GLY 582 N 1.86 0.81 0.27 0.20 0.00 -1.26 -4.31 105.19 102.76 3k4m n GLY 582 Ca -0.17 -2.05 0.15 0.00 0.00 0.00 0.00 46.02 43.94 3k4m n GLY 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m h GLY 584 N 1.15 0.15 2.00 0.00 0.00 -1.88 -0.96 103.07 103.53 3k4m h GLY 584 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 3k4m h GLY 584 CO 0.01 0.02 -0.00 3.43 0.00 0.00 0.00 176.54 180.01 3k4m h ASN 585 N 0.10 0.00 -3.41 0.19 2.35 -1.44 -1.88 115.58 111.49 3k4m h ASN 585 Ca 0.22 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.40 3k4m h ASN 585 Cb 0.74 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.05 3k4m h ASN 585 CO -0.02 0.00 0.90 -0.63 -1.65 0.00 0.00 177.43 176.03 3k4m s ILE 586 N -3.76 4.33 -0.82 2.81 1.01 -0.39 -0.23 121.20 124.14 3k4m s ILE 586 Ca -0.00 1.47 0.24 0.00 0.00 0.00 0.00 60.65 62.36 3k4m s ILE 586 Cb 0.10 -4.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 3k4m s ILE 586 CO 0.52 -0.66 1.27 -0.81 0.00 0.00 0.00 174.94 175.26 3k4m n PRO 587 N 7.31 0.14 -2.64 2.79 -0.04 -1.26 -1.13 135.00 140.16 3k4m n PRO 587 Ca 0.13 0.02 -0.23 0.00 -0.04 0.00 0.00 63.50 63.37 3k4m n PRO 587 Cb 0.48 -1.57 0.11 0.00 -0.04 0.00 0.00 33.50 32.48 3k4m n PRO 587 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3k4m s THR 588 N -3.09 2.06 -0.36 0.52 -4.23 -1.26 -4.77 115.64 104.51 3k4m s THR 588 Ca 0.08 -0.64 -0.21 0.00 -1.18 0.00 0.00 61.69 59.74 3k4m s THR 588 Cb 0.16 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.58 3k4m s THR 588 CO 0.74 0.00 0.67 0.00 -0.54 0.00 0.00 174.62 175.48 3k4m s ALA 589 N -3.13 3.45 0.01 3.99 0.00 -1.26 -4.83 121.76 120.00 3k4m s ALA 589 Ca 0.67 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.88 3k4m s ALA 589 Cb -0.05 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 3k4m s ALA 589 CO 0.44 -1.37 -0.19 1.52 0.00 0.00 0.00 175.76 176.17 3k4m s TYR 590 N 2.78 1.68 -0.11 0.00 1.13 -1.26 -4.48 117.35 117.09 3k4m s TYR 590 Ca 0.26 -0.34 0.13 0.00 -1.41 0.00 0.00 57.07 55.70 3k4m s TYR 590 Cb -0.14 -1.05 -0.18 0.00 -1.10 0.00 0.00 41.96 39.49 3k4m s TYR 590 CO 0.15 0.02 0.10 0.41 -2.51 0.00 0.00 175.55 173.72 3k4m n GLY 591 N 2.27 -0.68 3.76 5.49 0.00 -1.26 -4.17 105.19 110.59 3k4m n GLY 591 Ca -0.16 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 3k4m n GLY 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m s ALA 592 N -2.46 2.08 0.15 4.61 0.00 -1.26 -4.29 121.76 120.58 3k4m s ALA 592 Ca -0.07 0.18 -0.31 0.00 0.00 0.00 0.00 51.96 51.77 3k4m s ALA 592 Cb 0.05 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 3k4m s ALA 592 CO 0.57 -1.92 1.34 -0.80 0.00 0.00 0.00 175.76 174.96 3k4m s ASN 593 N -3.40 6.87 0.04 0.00 -0.87 -1.26 -4.92 114.94 111.40 3k4m s ASN 593 Ca 0.62 2.35 0.26 0.00 -1.57 0.00 0.00 52.86 54.51 3k4m s ASN 593 Cb -0.17 -2.60 0.68 0.00 -0.02 0.00 0.00 41.25 39.14 3k4m s ASN 593 CO 0.56 -0.59 1.55 -0.81 -2.57 0.00 0.00 177.10 175.25 3k4m n PRO 594 N 3.32 0.07 -0.37 -0.60 -0.04 -1.26 -4.39 135.00 131.73 3k4m n PRO 594 Ca 0.09 0.03 -0.02 0.00 -0.04 0.00 0.00 63.50 63.56 3k4m n PRO 594 Cb 0.43 -1.56 0.11 0.00 -0.04 0.00 0.00 33.50 32.44 3k4m n PRO 594 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3k4m h THR 595 N 0.00 1.26 -0.73 0.52 2.02 -1.91 0.15 112.91 114.22 3k4m h THR 595 Ca 0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3k4m h THR 595 Cb 0.56 -0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 3k4m h THR 595 CO 0.00 0.25 0.46 0.25 0.37 0.00 0.00 175.52 176.85 3k4m h LEU 596 N 1.36 0.85 -0.43 2.58 5.85 -1.84 0.01 115.31 123.69 3k4m h LEU 596 Ca 0.36 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.97 3k4m h LEU 596 Cb -0.14 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.66 3k4m h LEU 596 CO -0.08 0.64 -0.05 0.74 -0.34 0.00 0.00 178.44 179.35 3k4m h THR 597 N 1.00 1.27 -0.53 1.05 2.02 -1.06 -1.15 112.91 115.51 3k4m h THR 597 Ca 0.27 -1.12 0.03 0.00 0.77 0.00 0.00 66.41 66.35 3k4m h THR 597 Cb -0.08 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 3k4m h THR 597 CO -0.05 0.38 0.31 0.00 0.37 0.00 0.00 175.52 176.53 3k4m h ALA 598 N 0.88 0.68 -0.57 6.16 0.00 -0.49 -2.16 119.26 123.75 3k4m h ALA 598 Ca 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3k4m h ALA 598 Cb 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3k4m h ALA 598 CO 0.03 0.02 0.20 1.98 0.00 0.00 0.00 179.25 181.48 3k4m h MET 599 N 0.62 0.84 -0.58 0.00 -1.53 -0.80 -1.73 114.93 111.75 3k4m h MET 599 Ca 0.21 -0.14 -0.10 0.00 -3.44 0.00 0.00 59.70 56.23 3k4m h MET 599 Cb 0.03 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 30.92 3k4m h MET 599 CO -0.10 0.72 -0.02 0.77 0.14 0.00 0.00 176.91 178.41 3k4m h SER 600 N 0.83 1.03 -0.27 1.39 0.02 -0.59 -2.04 113.55 113.92 3k4m h SER 600 Ca 0.19 -0.32 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 3k4m h SER 600 Cb 0.21 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3k4m h SER 600 CO -0.01 1.10 0.04 -0.07 -1.14 0.00 0.00 176.83 176.75 3k4m h LEU 601 N 0.94 0.51 -0.39 5.07 3.38 -1.01 -2.44 115.31 121.37 3k4m h LEU 601 Ca 0.16 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3k4m h LEU 601 Cb 0.59 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3k4m h LEU 601 CO 0.03 0.55 -0.75 0.00 0.09 0.00 0.00 178.44 178.36 3k4m h ALA 602 N 1.52 0.69 -0.54 1.53 0.00 -0.64 -0.21 119.26 121.60 3k4m h ALA 602 Ca 0.12 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 3k4m h ALA 602 Cb 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3k4m h ALA 602 CO 0.00 0.94 0.19 0.82 0.00 0.00 0.00 179.25 181.21 3k4m h ILE 603 N 0.00 1.23 -0.79 0.00 2.04 -1.18 -1.90 117.51 116.91 3k4m h ILE 603 Ca -0.01 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 3k4m h ILE 603 Cb 1.39 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 3k4m h ILE 603 CO 0.10 0.28 0.40 0.50 0.00 0.00 0.00 178.15 179.43 3k4m h LYS 604 N 0.74 1.13 -0.97 2.37 3.64 -0.81 -1.96 116.57 120.71 3k4m h LYS 604 Ca 0.18 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3k4m h LYS 604 Cb 0.24 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 3k4m h LYS 604 CO -0.01 0.86 0.60 1.03 -2.27 0.00 0.00 179.45 179.66 3k4m h SER 605 N 1.11 1.15 -0.04 4.20 0.87 -0.86 -2.17 113.55 117.82 3k4m h SER 605 Ca 0.28 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.70 3k4m h SER 605 Cb 0.08 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 3k4m h SER 605 CO -0.04 0.87 -0.21 0.00 -0.53 0.00 0.00 176.83 176.92 3k4m h GLU 607 N 0.38 -0.34 -0.80 0.00 5.08 -0.74 0.12 114.58 118.28 3k4m h GLU 607 Ca 0.06 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 3k4m h GLU 607 Cb 0.58 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.84 3k4m h GLU 607 CO 0.04 -0.23 0.46 -0.92 -1.00 0.00 0.00 179.01 177.36 3k4m h TYR 608 N -0.35 0.84 -0.58 4.33 5.03 -1.32 -1.85 116.97 123.07 3k4m h TYR 608 Ca 0.00 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.34 3k4m h TYR 608 Cb 0.34 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.33 3k4m h TYR 608 CO -0.14 0.36 0.33 0.82 -1.32 0.00 0.00 178.16 178.22 3k4m h ILE 609 N 0.79 1.17 0.01 1.81 2.04 0.06 -1.35 117.51 122.05 3k4m h ILE 609 Ca 0.38 -0.40 -0.20 0.00 1.00 0.00 0.00 64.86 65.64 3k4m h ILE 609 Cb 0.31 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3k4m h ILE 609 CO -0.23 0.18 -0.92 0.11 0.00 0.00 0.00 178.15 177.30 3k4m h LYS 610 N 0.80 0.13 0.00 2.37 1.57 -0.02 -2.75 116.57 118.67 3k4m h LYS 610 Ca 0.21 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3k4m h LYS 610 Cb -0.01 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3k4m h LYS 610 CO -0.04 0.96 0.00 1.96 -0.57 0.00 0.00 179.45 181.76 3k4m h GLN 611 N 0.07 0.00 0.00 3.15 4.20 -0.67 -3.38 115.11 118.48 3k4m h GLN 611 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3k4m h GLN 611 Cb 1.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.36 3k4m h GLN 611 CO 0.13 0.00 -0.19 0.09 -0.67 0.00 0.00 178.83 178.20 3k4m n ASN 612 N -2.72 1.00 -3.66 1.46 3.02 -0.83 -5.01 115.26 108.52 3k4m n ASN 612 Ca 0.03 -2.15 -0.12 0.00 -0.03 0.00 0.00 54.58 52.31 3k4m n ASN 612 Cb 0.40 -0.20 -0.08 0.00 -0.61 0.00 0.00 39.78 39.28 3k4m n ASN 612 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3k4m s PHE 613 N -1.02 -0.73 -0.14 3.10 0.08 -1.10 -5.04 117.98 113.14 3k4m s PHE 613 Ca 0.10 1.68 -0.05 0.00 0.12 0.00 0.00 56.93 58.79 3k4m s PHE 613 Cb 0.08 0.30 -0.03 0.00 -0.57 0.00 0.00 43.02 42.80 3k4m s PHE 613 CO 0.01 -0.36 0.02 0.99 -0.10 0.00 0.00 175.22 175.78 3k4m s THR 614 N 0.62 4.45 0.20 0.64 2.01 -1.26 -4.74 115.64 117.56 3k4m s THR 614 Ca -0.02 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 3k4m s THR 614 Cb -0.05 -2.94 -0.09 0.00 0.01 0.00 0.00 72.50 69.43 3k4m s THR 614 CO -0.04 0.53 1.32 -2.16 -0.69 0.00 0.00 174.62 173.58 3k4m s PRO 615 N -0.15 4.38 0.86 4.92 0.04 -1.26 -4.99 135.00 138.79 3k4m s PRO 615 Ca 0.05 2.07 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 3k4m s PRO 615 Cb -0.12 -3.19 0.11 0.00 0.04 0.00 0.00 34.50 31.34 3k4m s PRO 615 CO 0.02 -0.27 1.16 -1.54 0.04 0.00 0.00 177.00 176.41 3k4m s SER 616 N 0.37 3.34 0.37 6.66 1.04 -1.26 -4.94 113.70 119.28 3k4m s SER 616 Ca 0.57 2.23 -0.25 0.00 0.48 0.00 0.00 55.95 58.98 3k4m s SER 616 Cb -0.37 -2.57 -0.10 0.00 0.10 0.00 0.00 66.02 63.08 3k4m s SER 616 CO 0.38 -2.83 1.00 -2.16 0.98 0.00 0.00 173.24 170.61 3k4m s PRO 617 N -4.46 4.36 0.00 4.02 0.04 -1.26 -4.88 135.00 132.81 3k4m s PRO 617 Ca 0.69 1.40 0.31 0.00 0.04 0.00 0.00 61.00 63.44 3k4m s PRO 617 Cb -0.24 -2.63 1.85 0.00 0.04 0.00 0.00 34.50 33.51 3k4m s PRO 617 CO 0.55 0.05 2.17 0.34 0.04 0.00 0.00 177.00 180.15