#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4m n ASP 44 N 0.00 -0.80 0.23 6.12 3.85 -1.26 -4.90 116.55 119.78 3k4m n ASP 44 Ca 0.00 0.12 0.12 0.00 -0.71 0.00 0.00 54.79 54.32 3k4m n ASP 44 Cb 0.00 -1.35 0.36 0.00 -1.35 0.00 0.00 41.12 38.78 3k4m n ASP 44 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.20 176.35 3k4m h ILE 45 N -2.29 0.21 -3.25 2.12 -0.00 -1.95 -3.46 117.51 108.90 3k4m h ILE 45 Ca -0.52 -1.03 -0.46 0.00 -0.00 0.00 0.00 64.86 62.85 3k4m h ILE 45 Cb 1.30 1.86 -0.38 0.00 -0.00 0.00 0.00 36.82 39.61 3k4m h ILE 45 CO 0.45 0.10 -0.77 -0.75 -0.00 0.00 0.00 178.15 177.18 3k4m s LYS 46 N -3.40 0.74 0.17 0.16 2.47 -1.26 -1.97 119.74 116.65 3k4m s LYS 46 Ca 0.04 0.00 0.07 0.00 -1.56 0.00 0.00 55.97 54.51 3k4m s LYS 46 Cb 0.07 -1.18 -0.04 0.00 -1.46 0.00 0.00 37.83 35.22 3k4m s LYS 46 CO 0.64 -0.34 -0.14 0.71 0.16 0.00 0.00 175.35 176.38 3k4m s TYR 47 N 1.92 1.56 -0.06 4.03 1.51 -0.80 -5.02 117.35 120.50 3k4m s TYR 47 Ca 0.04 -0.59 -0.24 0.00 -1.01 0.00 0.00 57.07 55.27 3k4m s TYR 47 Cb -0.13 -0.76 -0.20 0.00 -0.11 0.00 0.00 41.96 40.76 3k4m s TYR 47 CO -0.06 0.25 0.99 -0.44 -1.11 0.00 0.00 175.55 175.18 3k4m h ASP 48 N 2.93 -0.07 -3.30 2.29 3.32 -1.37 -2.77 116.42 117.45 3k4m h ASP 48 Ca -0.39 -0.54 -0.68 0.00 0.02 0.00 0.00 57.03 55.45 3k4m h ASP 48 Cb 1.21 0.02 -0.32 0.00 0.22 0.00 0.00 39.33 40.45 3k4m h ASP 48 CO 0.58 0.55 -0.86 -0.69 -1.72 0.00 0.00 179.24 177.10 3k4m s VAL 49 N -3.47 2.21 -0.16 -1.35 1.01 -0.70 -1.12 120.40 116.82 3k4m s VAL 49 Ca -0.15 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.84 3k4m s VAL 49 Cb 0.00 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3k4m s VAL 49 CO 0.59 0.55 -0.05 0.68 0.00 0.00 0.00 175.10 176.87 3k4m s VAL 50 N 0.48 3.73 -0.21 2.92 -7.23 -0.07 -1.26 120.40 118.76 3k4m s VAL 50 Ca -0.15 -0.41 -0.07 0.00 -1.81 0.00 0.00 61.98 59.54 3k4m s VAL 50 Cb -0.17 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 3k4m s VAL 50 CO 0.06 0.49 0.06 -0.63 -0.31 0.00 0.00 175.10 174.76 3k4m s ILE 51 N 0.44 4.48 -0.44 -0.62 1.01 0.11 -0.02 121.20 126.17 3k4m s ILE 51 Ca -0.05 -0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.25 3k4m s ILE 51 Cb -0.14 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.30 3k4m s ILE 51 CO 0.03 0.41 0.74 -0.69 0.00 0.00 0.00 174.94 175.43 3k4m s VAL 52 N 0.92 4.71 0.00 2.92 1.01 0.12 -1.38 120.40 128.71 3k4m s VAL 52 Ca 0.03 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3k4m s VAL 52 Cb -0.14 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.97 3k4m s VAL 52 CO 0.03 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.08 3k4m n GLY 53 N 4.96 2.30 1.11 4.51 0.00 0.54 0.22 105.19 118.82 3k4m n GLY 53 Ca 0.01 -1.56 -0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 3.08 -3.21 1.61 3.41 -1.26 -4.39 113.62 112.86 3k4m n SER 54 Ca 0.00 -3.48 -0.20 0.00 -0.26 0.00 0.00 58.87 54.93 3k4m n SER 54 Cb 0.00 -0.61 0.17 0.00 -0.26 0.00 0.00 64.21 63.51 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 -0.90 -2.75 0.26 5.00 0.00 -1.26 -2.92 105.19 102.62 3k4m n GLY 55 Ca 0.30 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.92 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 0.10 0.00 1.61 0.13 -1.91 -0.22 132.00 131.71 3k4m h PRO 56 Ca -0.28 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.79 3k4m h PRO 56 Cb 0.85 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3k4m h PRO 56 CO 0.18 0.13 -0.19 0.82 -0.23 0.00 0.00 178.00 178.71 3k4m h ILE 57 N 0.10 1.59 -0.56 -3.56 1.08 -1.93 -0.28 117.51 113.95 3k4m h ILE 57 Ca 0.03 -1.98 0.13 0.00 -0.39 0.00 0.00 64.86 62.65 3k4m h ILE 57 Cb 0.11 2.87 -0.03 0.00 -3.07 0.00 0.00 36.82 36.69 3k4m h ILE 57 CO 0.00 0.53 0.39 1.23 -0.69 0.00 0.00 178.15 179.62 3k4m h GLY 58 N -0.61 0.28 1.28 5.37 0.00 -1.69 -1.89 103.07 105.81 3k4m h GLY 58 Ca -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 3k4m h GLY 58 CO 0.04 0.04 -0.87 0.00 0.00 0.00 0.00 176.54 175.74 3k4m h THR 60 N 0.00 1.15 -0.81 0.00 2.02 -0.25 0.89 112.91 115.92 3k4m h THR 60 Ca -0.04 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3k4m h THR 60 Cb 1.18 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 3k4m h THR 60 CO 0.02 0.15 0.52 1.88 0.37 0.00 0.00 175.52 178.46 3k4m h TYR 61 N 0.33 1.03 -0.38 3.16 0.05 -1.43 -1.51 116.97 118.23 3k4m h TYR 61 Ca 0.10 0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.75 3k4m h TYR 61 Cb 0.12 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 3k4m h TYR 61 CO -0.02 0.66 -0.32 0.00 -1.05 0.00 0.00 178.16 177.44 3k4m h ALA 62 N 1.28 0.55 -0.48 3.88 0.00 -1.32 -1.25 119.26 121.92 3k4m h ALA 62 Ca 0.29 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3k4m h ALA 62 Cb -0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3k4m h ALA 62 CO -0.06 0.60 0.15 -0.09 0.00 0.00 0.00 179.25 179.85 3k4m h ARG 63 N 0.69 0.74 -0.04 0.00 2.43 -0.54 -0.17 114.38 117.49 3k4m h ARG 63 Ca 0.07 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3k4m h ARG 63 Cb 0.90 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3k4m h ARG 63 CO 0.08 0.70 0.01 0.93 -1.51 0.00 0.00 179.97 180.18 3k4m h GLU 64 N 0.64 0.06 0.17 0.20 4.39 -1.18 -2.54 114.58 116.31 3k4m h GLU 64 Ca 0.16 -0.01 -0.33 0.00 0.34 0.00 0.00 59.36 59.51 3k4m h GLU 64 Cb 0.26 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3k4m h GLU 64 CO -0.01 0.25 -1.65 -0.07 -1.16 0.00 0.00 179.01 176.38 3k4m h LEU 65 N -0.15 0.55 -0.89 1.33 3.38 -1.18 -2.78 115.31 115.58 3k4m h LEU 65 Ca 0.01 -0.78 -0.09 0.00 0.09 0.00 0.00 57.88 57.11 3k4m h LEU 65 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3k4m h LEU 65 CO -0.00 1.65 -0.13 0.58 0.09 0.00 0.00 178.44 180.63 3k4m h VAL 66 N 0.10 1.25 -0.73 1.22 2.07 -1.18 -0.79 116.25 118.19 3k4m h VAL 66 Ca -0.30 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3k4m h VAL 66 Cb 2.08 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.91 3k4m h VAL 66 CO 0.18 0.39 0.47 1.23 0.02 0.00 0.00 177.57 179.85 3k4m h GLY 67 N 0.97 1.05 -2.66 2.17 0.00 -1.48 -2.82 103.07 100.29 3k4m h GLY 67 Ca 0.11 -0.41 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 3k4m h GLY 67 CO 0.04 0.40 0.22 0.00 0.00 0.00 0.00 176.54 177.19 3k4m n ALA 68 N -2.31 3.54 -0.96 3.60 0.00 -1.05 -4.86 120.51 118.47 3k4m n ALA 68 Ca 0.07 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.53 3k4m n ALA 68 Cb 0.03 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3k4m n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4m n GLY 69 N -0.06 0.22 3.78 0.00 0.00 -1.06 -4.87 105.19 103.20 3k4m n GLY 69 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.48 2.74 -0.54 1.61 1.51 -0.32 -4.74 117.35 116.12 3k4m s TYR 70 Ca 0.00 1.54 -0.24 0.00 -1.01 0.00 0.00 57.07 57.36 3k4m s TYR 70 Cb 0.00 -3.11 0.04 0.00 -0.11 0.00 0.00 41.96 38.78 3k4m s TYR 70 CO 0.00 -1.52 0.90 0.21 -1.11 0.00 0.00 175.55 174.03 3k4m s LYS 71 N -4.16 3.31 0.00 -0.62 2.20 -1.26 -4.20 119.74 115.00 3k4m s LYS 71 Ca 0.65 -0.33 0.01 0.00 -0.36 0.00 0.00 55.97 55.95 3k4m s LYS 71 Cb -0.19 -4.05 -0.04 0.00 -1.51 0.00 0.00 37.83 32.04 3k4m s LYS 71 CO 0.41 -1.44 0.00 0.08 -0.36 0.00 0.00 175.35 174.05 3k4m s VAL 72 N 3.77 4.18 0.04 4.02 1.01 -0.62 -0.95 120.40 131.85 3k4m s VAL 72 Ca 0.29 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.70 3k4m s VAL 72 Cb -0.13 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 3k4m s VAL 72 CO 0.18 0.37 -0.13 0.00 0.00 0.00 0.00 175.10 175.52 3k4m s ALA 73 N -1.10 1.06 -0.04 5.51 0.00 -0.39 -1.89 121.76 124.91 3k4m s ALA 73 Ca 0.20 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3k4m s ALA 73 Cb -0.12 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.88 3k4m s ALA 73 CO 0.11 0.18 -0.02 1.41 0.00 0.00 0.00 175.76 177.45 3k4m s MET 74 N -1.15 0.51 -0.07 0.00 1.75 0.05 0.08 119.30 120.47 3k4m s MET 74 Ca 0.00 0.02 0.02 0.00 -1.25 0.00 0.00 55.69 54.48 3k4m s MET 74 Cb -0.08 -0.65 -0.02 0.00 2.84 0.00 0.00 34.83 36.92 3k4m s MET 74 CO 0.01 -0.13 -0.13 -0.06 -0.65 0.00 0.00 175.02 174.06 3k4m s PHE 75 N 1.06 2.75 -0.03 4.11 0.08 -0.48 0.45 117.98 125.92 3k4m s PHE 75 Ca -0.09 -0.27 0.02 0.00 0.12 0.00 0.00 56.93 56.71 3k4m s PHE 75 Cb -0.14 -1.69 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 3k4m s PHE 75 CO -0.01 0.09 -0.08 0.34 -0.10 0.00 0.00 175.22 175.46 3k4m s ASP 76 N -0.45 1.10 0.35 1.36 -1.08 -0.45 -0.34 116.67 117.16 3k4m s ASP 76 Ca 0.06 -0.17 0.27 0.00 -0.52 0.00 0.00 52.55 52.19 3k4m s ASP 76 Cb -0.12 -0.32 1.03 0.00 -1.46 0.00 0.00 42.92 42.05 3k4m s ASP 76 CO 0.02 0.05 1.80 -0.29 0.52 0.00 0.00 175.17 177.26 3k4m h ILE 77 N 5.48 0.00 -5.59 4.11 2.10 -1.82 0.72 117.51 122.51 3k4m h ILE 77 Ca -0.33 -0.41 -0.41 0.00 1.08 0.00 0.00 64.86 64.79 3k4m h ILE 77 Cb 1.17 1.28 0.06 0.00 -1.09 0.00 0.00 36.82 38.24 3k4m h ILE 77 CO 0.49 0.00 0.05 0.61 -1.08 0.00 0.00 178.15 178.22 3k4m n GLY 78 N 0.28 1.07 3.56 8.18 0.00 -1.26 -4.10 105.19 112.92 3k4m n GLY 78 Ca 0.02 -2.08 -0.25 0.00 0.00 0.00 0.00 46.02 43.71 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 -4.63 1.90 -0.05 1.61 2.02 -1.26 -1.04 118.70 117.25 3k4m s GLU 79 Ca 0.57 -1.77 -0.29 0.00 0.02 0.00 0.00 54.97 53.49 3k4m s GLU 79 Cb -0.04 -1.84 -0.07 0.00 0.10 0.00 0.00 34.13 32.28 3k4m s GLU 79 CO 0.37 0.23 2.01 0.42 0.02 0.00 0.00 175.26 178.31 3k4m s ILE 80 N -2.52 3.07 -0.02 -1.63 1.01 -1.26 -1.57 121.20 118.28 3k4m s ILE 80 Ca 0.32 0.08 0.04 0.00 0.00 0.00 0.00 60.65 61.09 3k4m s ILE 80 Cb -0.02 -3.06 0.06 0.00 0.01 0.00 0.00 42.46 39.45 3k4m s ILE 80 CO 0.17 -0.02 1.03 -0.67 0.00 0.00 0.00 174.94 175.45 3k4m n ASP 81 N 8.73 0.33 -2.58 3.58 2.03 -1.26 -4.92 116.55 122.45 3k4m n ASP 81 Ca 0.22 -2.14 -0.08 0.00 0.52 0.00 0.00 54.79 53.31 3k4m n ASP 81 Cb 0.42 -0.23 0.04 0.00 -0.72 0.00 0.00 41.12 40.63 3k4m n ASP 81 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3k4m n SER 82 N -0.15 2.63 -0.35 1.67 7.64 -1.26 -5.00 113.62 118.79 3k4m n SER 82 Ca 0.02 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.31 3k4m n SER 82 Cb 0.71 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 -0.61 -1.65 0.33 0.23 0.00 -1.26 -4.14 105.19 98.08 3k4m n GLY 83 Ca 0.19 -1.27 0.16 0.00 0.00 0.00 0.00 46.02 45.10 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 -8.38 0.99 3.38 -2.02 -3.37 115.31 105.91 3k4m h LEU 84 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 3k4m h LEU 84 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 3k4m h LEU 84 CO 0.00 0.00 0.50 -0.54 0.09 0.00 0.00 178.44 178.49 3k4m s LYS 85 N -4.78 3.22 0.19 1.13 1.02 -1.26 -4.99 119.74 114.28 3k4m s LYS 85 Ca -0.05 -0.55 -0.31 0.00 0.02 0.00 0.00 55.97 55.08 3k4m s LYS 85 Cb 0.16 -4.13 -0.10 0.00 -0.52 0.00 0.00 37.83 33.25 3k4m s LYS 85 CO 0.60 -1.59 1.52 0.42 -0.92 0.00 0.00 175.35 175.38 3k4m s ILE 86 N 3.87 2.65 0.00 2.17 1.01 -1.26 -2.67 121.20 126.97 3k4m s ILE 86 Ca 0.25 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.40 3k4m s ILE 86 Cb -0.15 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.01 3k4m s ILE 86 CO 0.15 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.75 3k4m n GLY 87 N 3.18 0.52 3.80 6.18 0.00 -1.26 -4.37 105.19 113.23 3k4m n GLY 87 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.20 1.77 -0.04 4.61 0.00 -1.09 -2.84 121.76 121.97 3k4m s ALA 88 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 3k4m s ALA 88 Cb 0.00 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 3k4m s ALA 88 CO 0.00 -2.45 1.13 -1.58 0.00 0.00 0.00 175.76 172.86 3k4m s HIS 89 N -3.38 3.36 -1.00 0.00 2.46 -1.26 -4.47 115.29 110.99 3k4m s HIS 89 Ca 0.67 1.38 0.08 0.00 0.47 0.00 0.00 55.06 57.65 3k4m s HIS 89 Cb -0.12 -3.33 0.35 0.00 -0.13 0.00 0.00 32.58 29.35 3k4m s HIS 89 CO 0.53 -0.90 1.26 1.63 -2.47 0.00 0.00 174.74 174.79 3k4m n LYS 90 N 4.78 0.00 -0.23 2.88 5.02 0.50 -2.18 118.16 128.93 3k4m n LYS 90 Ca 0.09 0.36 0.11 0.00 -2.02 0.00 0.00 58.31 56.86 3k4m n LYS 90 Cb 0.47 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.24 3k4m n LYS 90 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3k4m n LYS 91 N -1.50 2.46 -1.37 1.97 2.85 -1.26 -4.17 118.16 117.14 3k4m n LYS 91 Ca 0.02 -2.23 -0.26 0.00 -1.05 0.00 0.00 58.31 54.79 3k4m n LYS 91 Cb 0.09 -1.51 -0.02 0.00 -0.65 0.00 0.00 35.03 32.95 3k4m n LYS 91 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3k4m n ASN 92 N 1.38 6.64 -4.78 -5.58 3.02 -0.93 -4.39 115.26 110.62 3k4m n ASN 92 Ca 0.20 -3.26 -0.30 0.00 -0.03 0.00 0.00 54.58 51.19 3k4m n ASN 92 Cb 0.57 -1.16 -0.06 0.00 -0.61 0.00 0.00 39.78 38.52 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 -2.65 4.54 0.41 3.41 -4.23 -1.26 -4.99 115.64 110.87 3k4m s THR 93 Ca 0.52 -0.81 0.10 0.00 -1.18 0.00 0.00 61.69 60.32 3k4m s THR 93 Cb 0.36 -3.21 0.30 0.00 1.34 0.00 0.00 72.50 71.30 3k4m s THR 93 CO -0.17 0.09 2.00 0.58 -0.54 0.00 0.00 174.62 176.57 3k4m h VAL 94 N 2.48 0.98 -0.42 2.29 2.07 -1.98 -1.93 116.25 119.74 3k4m h VAL 94 Ca -0.47 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.77 3k4m h VAL 94 Cb 1.17 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3k4m h VAL 94 CO 0.66 0.10 -0.17 -0.08 0.02 0.00 0.00 177.57 178.10 3k4m h GLU 95 N 0.53 0.80 0.03 1.57 4.57 -1.94 -1.87 114.58 118.26 3k4m h GLU 95 Ca 0.25 -0.29 -0.21 0.00 -1.18 0.00 0.00 59.36 57.92 3k4m h GLU 95 Cb 0.32 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 3k4m h GLU 95 CO -0.07 0.91 -0.99 1.88 -1.18 0.00 0.00 179.01 179.56 3k4m h TYR 96 N 0.71 0.19 0.00 0.92 0.05 -1.73 -1.63 116.97 115.48 3k4m h TYR 96 Ca 0.11 -0.12 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 3k4m h TYR 96 Cb 0.67 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 3k4m h TYR 96 CO 0.04 1.03 -0.21 1.96 -1.05 0.00 0.00 178.16 179.92 3k4m h GLN 97 N 0.05 0.00 0.00 4.88 1.08 -1.17 -1.11 115.11 118.84 3k4m h GLN 97 Ca -0.05 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.06 3k4m h GLN 97 Cb 1.69 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.10 3k4m h GLN 97 CO 0.14 0.21 -0.81 0.87 -0.95 0.00 0.00 178.83 178.30 3k4m h LYS 98 N 0.00 0.00 -1.83 1.46 1.57 -1.24 -3.39 116.57 113.14 3k4m h LYS 98 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.25 3k4m h LYS 98 Cb 0.79 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.69 3k4m h LYS 98 CO 0.03 0.31 -0.90 0.09 -0.57 0.00 0.00 179.45 178.41 3k4m n ASN 99 N -3.03 3.09 0.22 0.86 3.02 -0.62 -4.96 115.26 113.85 3k4m n ASN 99 Ca -0.02 -3.36 0.14 0.00 -0.03 0.00 0.00 54.58 51.31 3k4m n ASN 99 Cb 0.72 -0.55 0.77 0.00 -0.61 0.00 0.00 39.78 40.11 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 2.38 0.70 0.00 2.41 2.10 -1.44 -0.16 117.51 123.50 3k4m h ILE 100 Ca 0.12 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.06 3k4m h ILE 100 Cb 0.83 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 3k4m h ILE 100 CO 0.69 0.00 0.00 0.44 -1.08 0.00 0.00 178.15 178.20 3k4m h ASP 101 N 0.00 0.00 0.82 2.19 3.32 -1.85 -1.86 116.42 119.04 3k4m h ASP 101 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3k4m h ASP 101 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3k4m h ASP 101 CO -0.00 0.00 0.00 0.11 -1.72 0.00 0.00 179.24 177.63 3k4m h LYS 102 N 0.00 0.00 0.00 3.56 1.79 -1.34 -2.99 116.57 117.59 3k4m h LYS 102 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3k4m h LYS 102 Cb 0.78 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.42 3k4m h LYS 102 CO 0.00 0.00 -0.08 0.35 -1.08 0.00 0.00 179.45 178.64 3k4m h PHE 103 N 0.00 0.00 -1.08 -1.35 3.57 -1.47 -2.13 116.94 114.48 3k4m h PHE 103 Ca 0.00 0.00 0.29 0.00 3.53 0.00 0.00 57.97 61.79 3k4m h PHE 103 Cb 0.41 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.05 3k4m h PHE 103 CO 0.00 0.08 0.69 0.28 -2.23 0.00 0.00 178.31 177.14 3k4m h VAL 104 N 0.00 0.47 -0.16 1.41 2.07 -1.72 -0.49 116.25 117.83 3k4m h VAL 104 Ca -0.00 -0.12 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 3k4m h VAL 104 Cb 0.18 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3k4m h VAL 104 CO 0.01 0.06 -0.49 0.78 0.02 0.00 0.00 177.57 177.95 3k4m h ASN 105 N 0.34 0.46 -0.50 0.57 4.21 -1.63 -0.75 115.58 118.28 3k4m h ASN 105 Ca 0.62 -0.23 -0.04 0.00 1.21 0.00 0.00 56.30 57.87 3k4m h ASN 105 Cb 1.66 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 38.71 3k4m h ASN 105 CO -0.31 0.88 0.17 0.58 -1.29 0.00 0.00 177.43 177.46 3k4m h VAL 106 N 0.34 1.22 0.35 2.81 2.07 -1.23 -1.22 116.25 120.60 3k4m h VAL 106 Ca 0.02 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 3k4m h VAL 106 Cb 0.99 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3k4m h VAL 106 CO 0.09 0.27 -0.17 0.40 0.02 0.00 0.00 177.57 178.18 3k4m h ILE 107 N 0.67 0.67 -0.58 4.57 2.04 -1.08 -2.83 117.51 120.97 3k4m h ILE 107 Ca 0.16 -0.22 0.16 0.00 1.00 0.00 0.00 64.86 65.96 3k4m h ILE 107 Cb 0.25 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3k4m h ILE 107 CO -0.01 0.05 0.42 1.56 0.00 0.00 0.00 178.15 180.16 3k4m h GLN 108 N -0.60 0.04 0.00 2.37 4.20 -1.10 -0.72 115.11 119.31 3k4m h GLN 108 Ca -0.05 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3k4m h GLN 108 Cb 0.44 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3k4m h GLN 108 CO 0.08 0.03 0.00 0.78 -0.67 0.00 0.00 178.83 179.05 3k4m h GLY 109 N 0.04 0.00 -1.30 3.46 0.00 -0.96 -3.18 103.07 101.13 3k4m h GLY 109 Ca 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 3k4m h GLY 109 CO -0.02 0.00 -0.54 0.61 0.00 0.00 0.00 176.54 176.60 3k4m n GLN 110 N -2.98 0.98 -3.78 4.80 10.64 -0.29 -4.91 117.38 121.83 3k4m n GLN 110 Ca 0.03 -2.61 -0.37 0.00 -1.83 0.00 0.00 57.00 52.22 3k4m n GLN 110 Cb 0.43 -1.08 -0.12 0.00 -0.86 0.00 0.00 30.24 28.61 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 -2.04 4.85 -0.24 2.61 1.43 -1.12 -4.04 118.68 120.13 3k4m s LEU 111 Ca 0.32 -1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 51.60 3k4m s LEU 111 Cb 0.32 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 3k4m s LEU 111 CO -0.07 -0.46 0.20 -0.04 0.23 0.00 0.00 176.35 176.21 3k4m s MET 112 N 1.23 4.08 0.28 1.70 -1.94 -0.46 -4.84 119.30 119.34 3k4m s MET 112 Ca 0.04 -0.20 -0.30 0.00 -1.71 0.00 0.00 55.69 53.51 3k4m s MET 112 Cb -0.22 -3.55 -0.11 0.00 2.01 0.00 0.00 34.83 32.97 3k4m s MET 112 CO -0.02 0.03 1.55 -1.12 -0.01 0.00 0.00 175.02 175.45 3k4m s SER 113 N 1.09 6.45 0.01 3.03 0.01 -1.26 -1.24 113.70 121.79 3k4m s SER 113 Ca 0.09 2.87 -0.25 0.00 1.31 0.00 0.00 55.95 59.97 3k4m s SER 113 Cb -0.14 -2.63 -0.17 0.00 0.21 0.00 0.00 66.02 63.30 3k4m s SER 113 CO 0.05 -0.85 1.25 0.58 0.41 0.00 0.00 173.24 174.68 3k4m h VAL 114 N 3.44 0.70 -3.19 3.43 2.07 -1.42 -3.44 116.25 117.84 3k4m h VAL 114 Ca -0.47 -0.58 -0.44 0.00 0.82 0.00 0.00 66.70 66.03 3k4m h VAL 114 Cb 1.22 0.99 -0.40 0.00 -1.52 0.00 0.00 31.29 31.59 3k4m h VAL 114 CO 0.79 0.11 -0.75 -0.55 0.02 0.00 0.00 177.57 177.19 3k4m s SER 115 N -5.08 2.02 -0.24 0.57 0.15 -1.26 -4.64 113.70 105.23 3k4m s SER 115 Ca -0.14 -0.39 -0.05 0.00 0.70 0.00 0.00 55.95 56.06 3k4m s SER 115 Cb 0.02 -0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.00 3k4m s SER 115 CO 0.55 -0.29 0.01 -0.69 1.20 0.00 0.00 173.24 174.02 3k4m s VAL 116 N 2.06 3.80 0.90 4.45 1.01 -1.26 -4.81 120.40 126.55 3k4m s VAL 116 Ca 0.03 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 3k4m s VAL 116 Cb -0.15 -2.77 0.13 0.00 0.00 0.00 0.00 36.38 33.59 3k4m s VAL 116 CO -0.07 0.36 1.09 -2.16 0.00 0.00 0.00 175.10 174.32 3k4m s PRO 117 N 1.53 1.23 0.28 2.72 0.04 -1.26 -0.25 135.00 139.30 3k4m s PRO 117 Ca 0.06 1.00 -0.30 0.00 0.04 0.00 0.00 61.00 61.80 3k4m s PRO 117 Cb -0.15 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 3k4m s PRO 117 CO 0.00 -2.31 1.45 0.08 0.04 0.00 0.00 177.00 176.26 3k4m s VAL 118 N -2.84 2.51 -0.02 -0.36 1.01 -1.25 -4.60 120.40 114.84 3k4m s VAL 118 Ca 0.64 0.45 -0.25 0.00 0.00 0.00 0.00 61.98 62.81 3k4m s VAL 118 Cb -0.19 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3k4m s VAL 118 CO 0.58 0.08 0.79 0.21 0.00 0.00 0.00 175.10 176.75 3k4m s ASN 119 N 0.20 7.14 -0.14 3.32 3.84 -1.26 -4.97 114.94 123.07 3k4m s ASN 119 Ca 0.58 1.37 0.16 0.00 0.21 0.00 0.00 52.86 55.17 3k4m s ASN 119 Cb -0.43 -2.47 0.30 0.00 -0.55 0.00 0.00 41.25 38.11 3k4m s ASN 119 CO 0.48 -0.12 1.16 0.35 -2.79 0.00 0.00 177.10 176.17 3k4m n THR 120 N 3.57 1.78 -2.44 -5.21 -2.24 -1.26 -4.86 114.28 103.62 3k4m n THR 120 Ca 0.00 -2.31 -0.41 0.00 -2.27 0.00 0.00 64.05 59.06 3k4m n THR 120 Cb 0.51 -0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 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 -2.69 4.46 -0.12 3.22 1.43 -1.26 -4.99 118.68 118.74 3k4m s LEU 121 Ca 0.31 2.17 -0.26 0.00 -1.03 0.00 0.00 54.13 55.32 3k4m s LEU 121 Cb 0.28 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.88 3k4m s LEU 121 CO -0.00 -0.31 0.86 -0.69 0.23 0.00 0.00 176.35 176.44 3k4m s VAL 122 N -0.12 4.88 -0.45 -1.59 1.01 -1.26 -5.00 120.40 117.87 3k4m s VAL 122 Ca 0.51 1.73 0.04 0.00 0.00 0.00 0.00 61.98 64.27 3k4m s VAL 122 Cb -0.31 -4.18 0.12 0.00 0.00 0.00 0.00 36.38 32.01 3k4m s VAL 122 CO 0.36 0.07 0.18 -0.69 0.00 0.00 0.00 175.10 175.02 3k4m s VAL 123 N 1.81 2.41 -0.69 2.92 1.01 -1.26 -4.94 120.40 121.66 3k4m s VAL 123 Ca 0.42 -2.92 0.16 0.00 0.00 0.00 0.00 61.98 59.64 3k4m s VAL 123 Cb -0.17 -2.71 0.61 0.00 0.00 0.00 0.00 36.38 34.10 3k4m s VAL 123 CO 0.16 -0.73 1.52 -0.90 0.00 0.00 0.00 175.10 175.15 3k4m n ASP 124 N 3.56 4.35 -0.93 3.32 5.75 -1.26 -4.43 116.55 126.90 3k4m n ASP 124 Ca 0.05 -2.61 0.06 0.00 -0.01 0.00 0.00 54.79 52.28 3k4m n ASP 124 Cb 0.36 -0.53 0.24 0.00 -1.03 0.00 0.00 41.12 40.17 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 0.47 2.34 -1.85 2.12 -2.24 -1.26 -5.01 114.28 108.85 3k4m n THR 125 Ca 0.22 -2.07 -0.34 0.00 -2.27 0.00 0.00 64.05 59.60 3k4m n THR 125 Cb 0.86 -0.27 0.04 0.00 -2.10 0.00 0.00 70.33 68.86 3k4m n THR 125 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4m s LEU 126 N -2.92 3.48 0.35 3.22 1.43 -1.26 -4.99 118.68 117.99 3k4m s LEU 126 Ca 0.43 2.11 -0.28 0.00 -1.03 0.00 0.00 54.13 55.35 3k4m s LEU 126 Cb 0.35 -4.57 -0.12 0.00 0.03 0.00 0.00 46.19 41.89 3k4m s LEU 126 CO 0.07 -1.61 1.46 -0.24 0.23 0.00 0.00 176.35 176.26 3k4m n SER 127 N -2.14 3.55 0.16 2.29 2.88 -1.26 -4.87 113.62 114.22 3k4m n SER 127 Ca 0.11 1.21 0.18 0.00 -1.33 0.00 0.00 58.87 59.04 3k4m n SER 127 Cb 0.51 -1.58 0.67 0.00 -0.75 0.00 0.00 64.21 63.06 3k4m n SER 127 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3k4m h PRO 128 N 3.19 0.00 0.00 -1.46 0.11 -1.99 -1.18 132.00 130.67 3k4m h PRO 128 Ca -0.49 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3k4m h PRO 128 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3k4m h PRO 128 CO 0.66 0.00 -0.32 1.79 -0.21 0.00 0.00 178.00 179.92 3k4m h THR 129 N 0.00 0.59 -3.86 -1.15 1.35 -2.04 -3.46 112.91 104.34 3k4m h THR 129 Ca 0.15 -1.69 -0.52 0.00 -0.55 0.00 0.00 66.41 63.80 3k4m h THR 129 Cb 1.24 2.18 0.06 0.00 -1.73 0.00 0.00 68.15 69.90 3k4m h THR 129 CO -0.00 0.32 0.63 -0.44 -0.25 0.00 0.00 175.52 175.77 3k4m s SER 130 N -6.34 6.82 0.00 5.36 0.01 -0.45 -4.96 113.70 114.14 3k4m s SER 130 Ca 0.04 2.65 -0.31 0.00 1.31 0.00 0.00 55.95 59.64 3k4m s SER 130 Cb 0.07 -2.65 -0.10 0.00 0.21 0.00 0.00 66.02 63.56 3k4m s SER 130 CO 0.70 -0.50 1.96 1.87 0.41 0.00 0.00 173.24 177.68 3k4m n TRP 131 N 0.88 2.46 -5.05 2.43 -0.00 -1.26 -4.95 117.44 111.95 3k4m n TRP 131 Ca 0.00 -0.29 -0.31 0.00 -0.00 0.00 0.00 57.50 56.90 3k4m n TRP 131 Cb 0.42 -2.77 -0.15 0.00 -0.00 0.00 0.00 31.31 28.81 3k4m n TRP 131 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 3k4m s GLN 132 N 4.44 2.05 0.41 5.87 0.74 -1.26 -5.11 119.66 126.80 3k4m s GLN 132 Ca 0.90 -0.97 -0.25 0.00 0.05 0.00 0.00 55.36 55.10 3k4m s GLN 132 Cb -0.49 -2.08 -0.08 0.00 1.10 0.00 0.00 33.01 31.46 3k4m s GLN 132 CO 0.44 0.55 1.18 0.00 -0.55 0.00 0.00 175.29 176.91 3k4m s ALA 133 N -0.73 3.13 -0.13 1.58 0.00 -1.26 -4.98 121.76 119.38 3k4m s ALA 133 Ca 0.11 0.99 0.17 0.00 0.00 0.00 0.00 51.96 53.24 3k4m s ALA 133 Cb -0.10 -3.39 -0.23 0.00 0.00 0.00 0.00 23.12 19.40 3k4m s ALA 133 CO 0.01 -0.58 0.45 0.43 0.00 0.00 0.00 175.76 176.06 3k4m n SER 134 N -0.03 0.39 -4.31 0.00 7.64 -1.26 -5.01 113.62 111.05 3k4m n SER 134 Ca 0.05 0.18 -0.16 0.00 1.01 0.00 0.00 58.87 59.94 3k4m n SER 134 Cb 0.46 0.74 -0.10 0.00 -1.01 0.00 0.00 64.21 64.30 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 -2.79 0.70 -1.31 0.44 -4.23 -1.26 -5.06 115.64 102.13 3k4m s THR 135 Ca -0.07 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.29 3k4m s THR 135 Cb 0.08 -2.47 0.10 0.00 1.34 0.00 0.00 72.50 71.55 3k4m s THR 135 CO 0.84 -0.18 1.78 0.49 -0.54 0.00 0.00 174.62 177.01 3k4m n PHE 136 N -0.41 4.36 -2.01 3.99 3.72 -1.26 -4.99 117.46 120.86 3k4m n PHE 136 Ca -0.03 -2.98 -0.29 0.00 -0.05 0.00 0.00 57.45 54.10 3k4m n PHE 136 Cb 0.65 -2.46 0.18 0.00 -0.94 0.00 0.00 39.48 36.91 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 3.09 1.58 -0.54 1.38 -0.71 -1.26 -4.91 117.98 116.60 3k4m s PHE 137 Ca 0.49 0.24 -0.26 0.00 -1.04 0.00 0.00 56.93 56.36 3k4m s PHE 137 Cb 0.05 -3.99 0.04 0.00 -1.21 0.00 0.00 43.02 37.90 3k4m s PHE 137 CO 0.02 -2.55 1.03 0.08 -1.34 0.00 0.00 175.22 172.46 3k4m s VAL 138 N -3.81 4.27 0.09 -2.49 1.01 -1.26 -4.81 120.40 113.40 3k4m s VAL 138 Ca 0.73 0.59 0.09 0.00 0.00 0.00 0.00 61.98 63.39 3k4m s VAL 138 Cb -0.04 -4.59 -0.03 0.00 0.00 0.00 0.00 36.38 31.72 3k4m s VAL 138 CO 0.52 -1.14 -0.24 -0.13 0.00 0.00 0.00 175.10 174.10 3k4m s ARG 139 N 4.27 1.41 -1.42 2.72 0.52 -1.26 -4.85 118.95 120.33 3k4m s ARG 139 Ca 0.36 -1.17 -0.05 0.00 -0.52 0.00 0.00 55.73 54.34 3k4m s ARG 139 Cb -0.10 -1.71 0.03 0.00 0.52 0.00 0.00 34.95 33.69 3k4m s ARG 139 CO 0.23 0.42 0.45 0.09 0.02 0.00 0.00 175.30 176.51 3k4m n ASN 140 N 1.31 -5.03 0.00 0.23 3.02 -1.26 -1.35 115.26 112.18 3k4m n ASN 140 Ca -0.18 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 3k4m n ASN 140 Cb 0.53 -4.12 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 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 -1.28 0.78 3.78 7.41 0.00 -1.26 -5.02 105.19 109.60 3k4m n GLY 141 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.78 5.30 -0.44 1.61 1.04 -0.45 -4.80 113.70 113.18 3k4m s SER 142 Ca 0.00 1.95 -0.18 0.00 0.48 0.00 0.00 55.95 58.19 3k4m s SER 142 Cb 0.00 -2.55 0.03 0.00 0.10 0.00 0.00 66.02 63.60 3k4m s SER 142 CO 0.00 -1.50 0.52 0.21 0.98 0.00 0.00 173.24 173.45 3k4m s ASN 143 N -2.64 6.23 0.35 7.02 2.47 0.65 -4.76 114.94 124.25 3k4m s ASN 143 Ca 0.66 -0.64 0.27 0.00 0.42 0.00 0.00 52.86 53.57 3k4m s ASN 143 Cb -0.19 -2.26 1.02 0.00 -1.45 0.00 0.00 41.25 38.37 3k4m s ASN 143 CO 0.40 -0.68 1.79 1.55 -3.72 0.00 0.00 177.10 176.44 3k4m h PRO 144 N 8.81 0.00 0.00 0.43 0.13 -1.94 -2.90 132.00 136.53 3k4m h PRO 144 Ca -0.26 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 3k4m h PRO 144 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3k4m h PRO 144 CO 0.85 0.00 -0.13 0.93 -0.23 0.00 0.00 178.00 179.42 3k4m h GLU 145 N 0.00 0.00 -6.13 0.86 4.39 -1.96 -3.46 114.58 108.28 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 0.51 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.10 3k4m h GLU 145 CO 0.00 0.13 0.80 -1.14 -1.16 0.00 0.00 179.01 177.64 3k4m s GLN 146 N -4.13 4.20 -0.34 2.33 2.00 -1.09 -5.00 119.66 117.62 3k4m s GLN 146 Ca -0.02 1.25 -0.29 0.00 -2.00 0.00 0.00 55.36 54.30 3k4m s GLN 146 Cb 0.13 -3.67 -0.00 0.00 0.80 0.00 0.00 33.01 30.26 3k4m s GLN 146 CO 0.59 -0.71 1.52 0.34 -0.50 0.00 0.00 175.29 176.53 3k4m s ASP 147 N 1.34 6.29 0.56 6.67 -1.08 -1.26 -4.66 116.67 124.53 3k4m s ASP 147 Ca 0.44 1.13 0.37 0.00 -0.52 0.00 0.00 52.55 53.97 3k4m s ASP 147 Cb -0.14 -2.54 1.95 0.00 -1.46 0.00 0.00 42.92 40.73 3k4m s ASP 147 CO 0.09 -1.42 2.14 1.55 0.52 0.00 0.00 175.17 178.05 3k4m h PRO 148 N 11.00 0.00 -0.00 4.34 0.13 -1.96 -2.48 132.00 143.04 3k4m h PRO 148 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3k4m h PRO 148 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3k4m h PRO 148 CO 1.05 0.00 -0.34 1.28 -0.23 0.00 0.00 178.00 179.76 3k4m n LEU 149 N -2.86 0.67 -2.60 1.56 4.77 -1.26 -4.13 117.00 113.15 3k4m n LEU 149 Ca -0.02 -0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.75 3k4m n LEU 149 Cb 0.10 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.01 3k4m n LEU 149 CO 0.19 0.14 -0.01 0.54 -1.33 0.00 0.00 177.39 176.92 3k4m n ARG 150 N -1.11 1.95 -4.21 3.23 1.74 -0.93 -5.00 116.66 112.33 3k4m n ARG 150 Ca 0.09 -3.66 -0.25 0.00 -0.77 0.00 0.00 57.85 53.26 3k4m n ARG 150 Cb 0.33 -1.61 -0.08 0.00 -1.02 0.00 0.00 32.46 30.09 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 -3.35 4.34 -0.79 0.55 2.47 -1.23 -1.04 114.94 115.88 3k4m s ASN 151 Ca 0.34 -1.13 -0.00 0.00 0.42 0.00 0.00 52.86 52.48 3k4m s ASN 151 Cb 0.42 -0.44 0.19 0.00 -1.45 0.00 0.00 41.25 39.98 3k4m s ASN 151 CO -0.03 -0.54 0.64 -0.76 -3.72 0.00 0.00 177.10 172.68 3k4m s LEU 152 N -3.88 5.29 0.43 3.21 1.43 -1.26 -4.76 118.68 119.13 3k4m s LEU 152 Ca 0.40 -3.57 0.16 0.00 -1.03 0.00 0.00 54.13 50.09 3k4m s LEU 152 Cb 0.05 -1.83 0.96 0.00 0.03 0.00 0.00 46.19 45.39 3k4m s LEU 152 CO 0.22 -0.20 1.93 0.77 0.23 0.00 0.00 176.35 179.30 3k4m h SER 153 N 6.08 0.00 -0.00 2.29 4.64 -1.66 -1.55 113.55 123.35 3k4m h SER 153 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3k4m h SER 153 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3k4m h SER 153 CO 0.79 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 177.62 3k4m n GLY 154 N -0.69 -0.89 3.76 -0.77 0.00 -0.02 -4.80 105.19 101.78 3k4m n GLY 154 Ca -0.02 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.00 4.50 0.12 1.61 -1.52 -0.58 -3.63 119.66 118.15 3k4m s GLN 155 Ca 0.44 1.73 -0.16 0.00 -1.95 0.00 0.00 55.36 55.41 3k4m s GLN 155 Cb 0.20 -3.00 0.03 0.00 -0.22 0.00 0.00 33.01 30.02 3k4m s GLN 155 CO 0.34 0.10 0.40 0.00 -0.25 0.00 0.00 175.29 175.88 3k4m s ALA 156 N -1.30 -0.92 0.21 6.09 0.00 -1.26 -1.08 121.76 123.50 3k4m s ALA 156 Ca 0.48 -0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.44 3k4m s ALA 156 Cb -0.29 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 3k4m s ALA 156 CO 0.37 -0.63 -0.05 0.14 0.00 0.00 0.00 175.76 175.59 3k4m s VAL 157 N -3.74 1.21 -0.10 0.00 -7.23 -0.38 -4.84 120.40 105.33 3k4m s VAL 157 Ca 0.03 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.13 3k4m s VAL 157 Cb 0.02 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.79 3k4m s VAL 157 CO -0.12 -0.47 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.22 3k4m s THR 158 N -3.30 1.13 -0.81 5.32 2.01 -1.26 -1.36 115.64 117.38 3k4m s THR 158 Ca 0.25 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.86 3k4m s THR 158 Cb 0.04 -1.10 0.20 0.00 0.01 0.00 0.00 72.50 71.65 3k4m s THR 158 CO 0.07 0.37 0.64 -0.13 -0.69 0.00 0.00 174.62 174.89 3k4m s ARG 159 N 1.30 2.89 0.04 4.92 0.52 -1.26 -4.62 118.95 122.74 3k4m s ARG 159 Ca -0.02 -3.33 -0.10 0.00 -0.52 0.00 0.00 55.73 51.76 3k4m s ARG 159 Cb -0.14 -3.70 0.01 0.00 0.52 0.00 0.00 34.95 31.64 3k4m s ARG 159 CO -0.04 -1.28 0.22 0.14 0.02 0.00 0.00 175.30 174.36 3k4m s VAL 160 N -1.43 0.10 0.22 3.52 -7.23 -1.26 -4.32 120.40 110.00 3k4m s VAL 160 Ca 0.26 -0.84 -0.31 0.00 -1.81 0.00 0.00 61.98 59.28 3k4m s VAL 160 Cb -0.06 -0.89 -0.11 0.00 0.56 0.00 0.00 36.38 35.88 3k4m s VAL 160 CO -0.15 -0.46 1.67 -0.69 -0.31 0.00 0.00 175.10 175.16 3k4m s VAL 161 N -2.49 2.13 0.00 1.32 1.01 -0.61 -0.16 120.40 121.60 3k4m s VAL 161 Ca -0.06 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3k4m s VAL 161 Cb -0.01 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3k4m s VAL 161 CO -0.03 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.69 3k4m n GLY 162 N 3.49 0.97 7.00 4.51 0.00 -1.15 -4.42 105.19 115.59 3k4m n GLY 162 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.85 0.18 -0.02 0.00 0.78 -2.84 105.19 102.14 3k4m n GLY 163 Ca 0.00 -0.72 0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.87 -2.26 114.93 115.27 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 -2.41 0.00 0.00 1.22 3.41 -1.13 -1.40 113.62 113.31 3k4m n SER 165 Ca 0.00 0.01 0.13 0.00 -0.26 0.00 0.00 58.87 58.75 3k4m n SER 165 Cb 0.16 -0.25 0.59 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.25 0.13 -0.44 6.66 -2.24 -0.85 -4.33 114.28 111.96 3k4m n THR 166 Ca 0.07 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3k4m n THR 166 Cb 0.10 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 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 -0.95 4.78 -0.00 -0.50 -0.37 115.22 116.71 3k4m n HIS 167 Ca 0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.48 3k4m n HIS 167 Cb 0.31 0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.43 3k4m n HIS 167 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.34 178.01 3k4m s TRP 168 N 0.00 2.04 -0.66 -1.40 1.48 -0.80 -4.95 118.94 114.65 3k4m s TRP 168 Ca 0.00 1.68 0.23 0.00 -1.06 0.00 0.00 56.10 56.95 3k4m s TRP 168 Cb 0.00 -3.21 0.91 0.00 -1.16 0.00 0.00 33.47 30.00 3k4m s TRP 168 CO 0.00 -2.38 1.71 2.41 -4.06 0.00 0.00 176.95 174.63 3k4m n THR 169 N -3.93 0.73 -1.07 0.66 -1.04 -1.26 -4.94 114.28 103.43 3k4m n THR 169 Ca 0.10 0.08 -0.02 0.00 -2.04 0.00 0.00 64.05 62.17 3k4m n THR 169 Cb 0.53 -0.94 -0.01 0.00 -1.82 0.00 0.00 70.33 68.09 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 -2.08 3.63 -0.47 0.00 0.00 -1.26 0.61 121.76 122.19 3k4m s ALA 171 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 51.96 51.98 3k4m s ALA 171 Cb 0.00 -3.42 0.26 0.00 0.00 0.00 0.00 23.12 19.96 3k4m s ALA 171 CO 0.00 -1.06 0.62 0.25 0.00 0.00 0.00 175.76 175.57 3k4m n THR 172 N 5.38 0.43 -2.47 0.00 -2.24 -0.77 -4.77 114.28 109.84 3k4m n THR 172 Ca 0.08 -4.49 -0.32 0.00 -2.27 0.00 0.00 64.05 57.05 3k4m n THR 172 Cb 0.47 -1.85 -0.04 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 -1.76 3.95 0.62 -0.78 0.04 -1.26 -4.77 135.00 131.02 3k4m s PRO 173 Ca 0.37 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.34 3k4m s PRO 173 Cb 0.18 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 3k4m s PRO 173 CO -0.08 -0.28 1.02 1.03 0.04 0.00 0.00 177.00 178.74 3k4m s ARG 174 N -3.82 3.60 -0.06 4.56 0.52 -1.26 -4.68 118.95 117.80 3k4m s ARG 174 Ca 0.60 0.74 -0.16 0.00 -0.52 0.00 0.00 55.73 56.40 3k4m s ARG 174 Cb -0.11 -2.09 -0.05 0.00 0.52 0.00 0.00 34.95 33.23 3k4m s ARG 174 CO 0.27 -0.56 0.43 -0.06 0.02 0.00 0.00 175.30 175.40 3k4m s PHE 175 N -3.16 3.61 0.88 -0.53 0.40 -1.26 -4.98 117.98 112.94 3k4m s PHE 175 Ca 0.55 0.92 -0.12 0.00 -0.60 0.00 0.00 56.93 57.68 3k4m s PHE 175 Cb -0.11 -2.42 0.12 0.00 0.51 0.00 0.00 43.02 41.12 3k4m s PHE 175 CO 0.53 0.40 1.13 0.16 0.70 0.00 0.00 175.22 178.14 3k4m s ASP 176 N -0.19 3.79 0.22 1.36 -4.77 -1.26 -4.91 116.67 110.91 3k4m s ASP 176 Ca 0.24 1.01 -0.10 0.00 -3.30 0.00 0.00 52.55 50.40 3k4m s ASP 176 Cb -0.16 -1.61 0.33 0.00 -1.09 0.00 0.00 42.92 40.40 3k4m s ASP 176 CO 0.11 -2.38 1.64 0.03 0.70 0.00 0.00 175.17 175.27 3k4m h ARG 177 N -1.38 0.08 0.00 2.11 3.08 -1.99 -1.45 114.38 114.83 3k4m h ARG 177 Ca -0.49 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3k4m h ARG 177 Cb 1.32 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3k4m h ARG 177 CO 0.62 0.05 0.00 1.49 -1.07 0.00 0.00 179.97 181.06 3k4m h GLU 178 N 0.08 0.00 -0.02 0.04 4.81 -1.98 -1.60 114.58 115.91 3k4m h GLU 178 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 3k4m h GLU 178 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3k4m h GLU 178 CO -0.61 0.00 -0.31 1.04 -0.73 0.00 0.00 179.01 178.40 3k4m n GLN 179 N -3.03 1.59 -4.95 1.92 6.02 -0.55 -4.87 117.38 113.51 3k4m n GLN 179 Ca -0.02 -1.30 -0.32 0.00 -0.01 0.00 0.00 57.00 55.35 3k4m n GLN 179 Cb 0.13 -1.46 -0.17 0.00 1.02 0.00 0.00 30.24 29.76 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 -2.29 3.07 0.47 -1.09 3.52 -0.61 -4.39 118.95 117.63 3k4m s ARG 180 Ca 0.21 -0.85 -0.25 0.00 -0.13 0.00 0.00 55.73 54.71 3k4m s ARG 180 Cb 0.18 -2.39 -0.08 0.00 -1.56 0.00 0.00 34.95 31.11 3k4m s ARG 180 CO 0.48 0.10 1.43 -1.25 -0.81 0.00 0.00 175.30 175.25 3k4m s PRO 181 N 0.54 3.60 0.23 5.12 0.04 -1.26 -4.96 135.00 138.31 3k4m s PRO 181 Ca -0.13 2.43 -0.30 0.00 0.04 0.00 0.00 61.00 63.04 3k4m s PRO 181 Cb -0.17 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.67 3k4m s PRO 181 CO 0.04 -0.89 1.38 -0.51 0.04 0.00 0.00 177.00 177.06 3k4m s LEU 182 N -2.83 4.40 -0.22 -3.56 1.43 -1.26 -4.98 118.68 111.65 3k4m s LEU 182 Ca 0.62 2.55 0.03 0.00 -1.03 0.00 0.00 54.13 56.31 3k4m s LEU 182 Cb -0.44 -3.62 -0.16 0.00 0.03 0.00 0.00 46.19 42.01 3k4m s LEU 182 CO 0.56 -0.62 -0.17 0.18 0.23 0.00 0.00 176.35 176.53 3k4m n LEU 183 N 2.44 2.63 -4.32 1.79 4.77 -1.26 -4.86 117.00 118.18 3k4m n LEU 183 Ca 0.06 -0.11 -0.35 0.00 -0.03 0.00 0.00 56.01 55.59 3k4m n LEU 183 Cb 0.41 -0.65 -0.14 0.00 -2.33 0.00 0.00 43.42 40.72 3k4m n LEU 183 CO 0.59 0.83 -0.38 -0.69 -1.33 0.00 0.00 177.39 176.41 3k4m s VAL 184 N -2.45 3.41 0.66 4.08 1.01 -1.26 -5.03 120.40 120.82 3k4m s VAL 184 Ca -0.28 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 3k4m s VAL 184 Cb 0.08 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 3k4m s VAL 184 CO 0.55 0.43 1.06 -1.59 0.00 0.00 0.00 175.10 175.55 3k4m s LYS 185 N 1.39 3.21 -1.17 2.72 -2.85 -1.26 -4.13 119.74 117.65 3k4m s LYS 185 Ca 0.05 0.62 -0.03 0.00 -1.00 0.00 0.00 55.97 55.61 3k4m s LYS 185 Cb -0.14 -2.05 0.02 0.00 -2.06 0.00 0.00 37.83 33.60 3k4m s LYS 185 CO -0.02 -0.82 0.16 -0.25 0.10 0.00 0.00 175.35 174.52 3k4m n ASP 186 N -2.89 -4.11 -2.83 0.03 8.00 -1.26 -4.89 116.55 108.60 3k4m n ASP 186 Ca 0.06 0.01 -0.03 0.00 0.71 0.00 0.00 54.79 55.55 3k4m n ASP 186 Cb 0.56 -3.45 0.01 0.00 -0.02 0.00 0.00 41.12 38.22 3k4m n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3k4m s ASP 187 N -2.25 -1.25 0.17 -2.24 -1.08 -1.26 -5.05 116.67 103.72 3k4m s ASP 187 Ca 0.12 -1.31 -0.14 0.00 -0.52 0.00 0.00 52.55 50.70 3k4m s ASP 187 Cb -0.06 1.63 0.07 0.00 -1.46 0.00 0.00 42.92 43.10 3k4m s ASP 187 CO 0.15 -0.06 1.84 0.00 0.52 0.00 0.00 175.17 177.61 3k4m h ALA 188 N 5.25 0.68 -0.95 3.66 0.00 -1.90 -0.54 119.26 125.46 3k4m h ALA 188 Ca 0.05 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3k4m h ALA 188 Cb 1.14 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 3k4m h ALA 188 CO 0.00 0.13 0.61 -0.44 0.00 0.00 0.00 179.25 179.55 3k4m h ASP 189 N 0.73 0.89 0.84 0.00 3.32 -1.97 -0.46 116.42 119.78 3k4m h ASP 189 Ca 0.20 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 3k4m h ASP 189 Cb -0.08 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3k4m h ASP 189 CO -0.04 0.52 -0.59 0.00 -1.72 0.00 0.00 179.24 177.41 3k4m h ALA 190 N 1.53 0.85 -0.10 3.45 0.00 -1.67 -2.42 119.26 120.90 3k4m h ALA 190 Ca 0.45 -0.53 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 3k4m h ALA 190 Cb 0.39 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3k4m h ALA 190 CO -0.20 0.73 -0.83 0.22 0.00 0.00 0.00 179.25 179.17 3k4m h ASP 191 N 0.00 0.83 -0.12 0.00 3.58 0.03 -2.87 116.42 117.88 3k4m h ASP 191 Ca -0.01 -0.57 -0.14 0.00 0.42 0.00 0.00 57.03 56.73 3k4m h ASP 191 Cb 1.16 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 3k4m h ASP 191 CO 0.08 1.36 -0.39 0.44 -2.88 0.00 0.00 179.24 177.84 3k4m h ASP 192 N 0.45 0.68 0.04 2.28 3.32 -1.09 -2.42 116.42 119.68 3k4m h ASP 192 Ca -0.06 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.55 3k4m h ASP 192 Cb 1.45 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 3k4m h ASP 192 CO 0.16 1.00 -0.44 0.00 -1.72 0.00 0.00 179.24 178.25 3k4m h ALA 193 N 1.03 0.88 -0.11 3.45 0.00 -1.46 0.12 119.26 123.16 3k4m h ALA 193 Ca 0.05 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 3k4m h ALA 193 Cb 0.92 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.61 3k4m h ALA 193 CO 0.08 0.65 -0.46 1.49 0.00 0.00 0.00 179.25 181.01 3k4m h GLU 194 N 0.39 0.51 -0.66 0.00 4.57 -1.52 -2.35 114.58 115.52 3k4m h GLU 194 Ca 0.03 -0.40 -0.00 0.00 -1.18 0.00 0.00 59.36 57.81 3k4m h GLU 194 Cb 0.92 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 3k4m h GLU 194 CO 0.08 1.02 0.40 -1.49 -1.18 0.00 0.00 179.01 177.85 3k4m h TRP 195 N 0.11 0.87 -0.35 0.92 4.06 -1.35 -1.33 115.95 118.87 3k4m h TRP 195 Ca -0.03 -0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.82 3k4m h TRP 195 Cb 1.09 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.95 3k4m h TRP 195 CO 0.11 0.59 -0.21 0.22 -3.56 0.00 0.00 178.44 175.59 3k4m h ASP 196 N 0.90 0.67 0.94 -3.49 3.58 -0.79 -1.06 116.42 117.17 3k4m h ASP 196 Ca 0.24 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.41 3k4m h ASP 196 Cb -0.03 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 40.84 3k4m h ASP 196 CO -0.05 0.88 -0.45 -0.09 -2.88 0.00 0.00 179.24 176.65 3k4m h ARG 197 N 0.59 -1.21 0.21 0.28 2.43 -1.08 -0.76 114.38 114.84 3k4m h ARG 197 Ca 0.09 0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3k4m h ARG 197 Cb 0.67 0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 3k4m h ARG 197 CO 0.05 -0.81 -0.26 -0.07 -1.51 0.00 0.00 179.97 177.37 3k4m h LEU 198 N -1.27 -0.74 -0.84 3.80 3.38 -1.17 -1.56 115.31 116.92 3k4m h LEU 198 Ca -0.13 0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.07 3k4m h LEU 198 Cb 0.96 0.25 -0.16 0.00 0.09 0.00 0.00 40.66 41.81 3k4m h LEU 198 CO 0.21 -0.33 -0.22 1.88 0.09 0.00 0.00 178.44 180.08 3k4m h TYR 199 N -0.49 -0.47 -0.23 1.13 0.05 -1.26 0.61 116.97 116.32 3k4m h TYR 199 Ca -0.03 0.08 0.06 0.00 0.05 0.00 0.00 58.73 58.89 3k4m h TYR 199 Cb 0.44 0.34 -0.06 0.00 1.01 0.00 0.00 36.73 38.45 3k4m h TYR 199 CO -0.22 -0.36 -0.15 1.15 -1.05 0.00 0.00 178.16 177.53 3k4m h THR 200 N -0.00 0.57 -0.76 -2.88 2.02 -0.89 0.43 112.91 111.40 3k4m h THR 200 Ca 0.40 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.56 3k4m h THR 200 Cb 0.61 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 3k4m h THR 200 CO -0.86 0.00 0.38 0.50 0.37 0.00 0.00 175.52 175.91 3k4m h LYS 201 N -0.14 1.06 -0.62 6.66 3.64 0.63 -1.82 116.57 125.99 3k4m h LYS 201 Ca 0.13 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3k4m h LYS 201 Cb 0.33 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3k4m h LYS 201 CO -0.31 0.80 0.34 0.00 -2.27 0.00 0.00 179.45 178.01 3k4m h ALA 202 N 1.36 0.79 -0.17 5.00 0.00 0.14 -2.24 119.26 124.14 3k4m h ALA 202 Ca 0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3k4m h ALA 202 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3k4m h ALA 202 CO -0.04 0.30 -0.14 0.93 0.00 0.00 0.00 179.25 180.31 3k4m h GLU 203 N 0.84 0.27 -0.24 0.00 5.08 0.18 -1.93 114.58 118.77 3k4m h GLU 203 Ca 0.22 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.34 3k4m h GLU 203 Cb 0.04 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3k4m h GLU 203 CO -0.04 0.42 -0.53 1.03 -1.00 0.00 0.00 179.01 178.89 3k4m h SER 204 N 0.26 0.78 0.48 1.42 0.87 -0.79 -0.13 113.55 116.44 3k4m h SER 204 Ca 0.05 -0.41 -0.02 0.00 -1.23 0.00 0.00 61.79 60.18 3k4m h SER 204 Cb 0.41 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3k4m h SER 204 CO 0.02 1.16 -0.28 1.88 -0.53 0.00 0.00 176.83 179.09 3k4m h TYR 205 N 0.55 -0.72 0.00 2.24 0.05 -0.96 -3.14 116.97 114.99 3k4m h TYR 205 Ca 0.02 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3k4m h TYR 205 Cb 1.10 0.25 0.00 0.00 1.01 0.00 0.00 36.73 39.09 3k4m h TYR 205 CO 0.06 -0.43 0.00 1.19 -1.05 0.00 0.00 178.16 177.93 3k4m n PHE 206 N -5.41 0.00 -3.00 4.88 3.72 -0.77 -4.06 117.46 112.83 3k4m n PHE 206 Ca -0.11 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.08 3k4m n PHE 206 Cb 0.31 -0.35 0.04 0.00 -0.94 0.00 0.00 39.48 38.54 3k4m n PHE 206 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3k4m n GLN 207 N -1.35 -4.76 -1.82 -1.08 1.13 -0.30 -4.00 117.38 105.20 3k4m n GLN 207 Ca 0.09 0.85 -0.42 0.00 -1.94 0.00 0.00 57.00 55.59 3k4m n GLN 207 Cb 0.20 -5.60 -0.02 0.00 0.11 0.00 0.00 30.24 24.94 3k4m n GLN 207 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3k4m s THR 208 N -3.15 2.19 0.30 5.09 2.01 -0.22 -2.89 115.64 118.97 3k4m s THR 208 Ca 0.30 0.15 -0.05 0.00 0.31 0.00 0.00 61.69 62.40 3k4m s THR 208 Cb -0.13 -3.10 -0.00 0.00 0.01 0.00 0.00 72.50 69.28 3k4m s THR 208 CO 0.37 0.02 0.43 -0.83 -0.69 0.00 0.00 174.62 173.93 3k4m s GLY 209 N 0.55 1.24 -0.07 4.40 0.00 -0.51 -4.85 107.32 108.08 3k4m s GLY 209 Ca 0.64 -1.38 0.11 0.00 0.00 0.00 0.00 44.72 44.09 3k4m s GLY 209 CO 0.45 -0.95 1.10 -1.30 0.00 0.00 0.00 173.10 172.40 3k4m n THR 210 N -0.48 0.88 0.10 0.90 -2.24 -1.26 -0.79 114.28 111.38 3k4m n THR 210 Ca 0.00 -1.26 0.01 0.00 -2.27 0.00 0.00 64.05 60.54 3k4m n THR 210 Cb 0.62 0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.55 0.53 0.09 3.42 5.75 -1.26 -4.65 116.55 119.89 3k4m n ASP 211 Ca 0.08 -0.77 0.11 0.00 -0.01 0.00 0.00 54.79 54.20 3k4m n ASP 211 Cb 0.74 0.60 0.44 0.00 -1.03 0.00 0.00 41.12 41.87 3k4m n ASP 211 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k4m n GLN 212 N -0.58 0.14 -0.36 0.11 3.00 -1.26 -2.06 117.38 116.37 3k4m n GLN 212 Ca 0.01 0.34 0.08 0.00 -0.01 0.00 0.00 57.00 57.41 3k4m n GLN 212 Cb 0.04 -1.74 0.17 0.00 0.00 0.00 0.00 30.24 28.70 3k4m n GLN 212 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3k4m n PHE 213 N -2.00 0.00 0.31 1.08 3.01 -1.26 -4.82 117.46 113.78 3k4m n PHE 213 Ca 0.03 -1.19 0.17 0.00 1.01 0.00 0.00 57.45 57.47 3k4m n PHE 213 Cb 0.23 -0.19 0.99 0.00 -0.01 0.00 0.00 39.48 40.50 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 0.48 0.00 -0.39 -1.08 2.10 -1.74 -2.47 116.57 113.48 3k4m h LYS 214 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3k4m h LYS 214 Cb 1.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 3k4m h LYS 214 CO 0.00 0.01 0.00 0.39 -2.00 0.00 0.00 179.45 177.85 3k4m n GLU 215 N -3.59 2.87 -2.37 0.07 1.02 -1.26 -4.88 120.64 112.51 3k4m n GLU 215 Ca -0.03 -2.13 -0.42 0.00 -0.02 0.00 0.00 57.16 54.57 3k4m n GLU 215 Cb 0.10 -1.31 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 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 -1.02 7.04 0.08 1.62 0.15 -0.93 -4.94 113.70 115.71 3k4m s SER 216 Ca 0.26 2.15 -0.29 0.00 0.70 0.00 0.00 55.95 58.77 3k4m s SER 216 Cb 0.14 -2.59 -0.16 0.00 -1.71 0.00 0.00 66.02 61.70 3k4m s SER 216 CO 0.17 -0.46 1.66 0.40 1.20 0.00 0.00 173.24 176.22 3k4m h ILE 217 N 4.18 0.54 -0.66 6.45 2.04 -1.91 -2.38 117.51 125.77 3k4m h ILE 217 Ca -0.43 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 3k4m h ILE 217 Cb 1.21 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 3k4m h ILE 217 CO 0.79 0.00 0.31 0.03 0.00 0.00 0.00 178.15 179.29 3k4m h ARG 218 N -0.58 0.93 -0.60 2.37 3.08 -1.93 0.32 114.38 117.98 3k4m h ARG 218 Ca -0.05 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.89 3k4m h ARG 218 Cb 0.47 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3k4m h ARG 218 CO 0.06 0.72 0.39 1.25 -1.07 0.00 0.00 179.97 181.32 3k4m h HIS 219 N 0.93 0.74 0.02 3.04 2.76 -1.78 -2.35 115.15 118.51 3k4m h HIS 219 Ca 0.23 0.02 -0.22 0.00 -2.20 0.00 0.00 60.37 58.20 3k4m h HIS 219 Cb 0.10 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 3k4m h HIS 219 CO 0.01 0.46 -1.04 -0.91 -1.30 0.00 0.00 177.93 175.15 3k4m h ASN 220 N 0.80 0.07 -0.87 3.26 2.35 -0.86 -1.38 115.58 118.95 3k4m h ASN 220 Ca 0.22 -0.07 0.17 0.00 -0.55 0.00 0.00 56.30 56.08 3k4m h ASN 220 Cb -0.07 -0.02 -0.10 0.00 0.05 0.00 0.00 38.32 38.17 3k4m h ASN 220 CO -0.06 1.06 0.43 0.25 -1.65 0.00 0.00 177.43 177.46 3k4m h LEU 221 N 0.01 0.47 0.00 1.61 5.85 -0.23 0.20 115.31 123.22 3k4m h LEU 221 Ca -0.03 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3k4m h LEU 221 Cb 1.80 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 3k4m h LEU 221 CO 0.14 0.14 -0.35 0.58 -0.34 0.00 0.00 178.44 178.61 3k4m h VAL 222 N 0.55 0.90 -0.27 1.05 2.07 -1.34 -3.14 116.25 116.08 3k4m h VAL 222 Ca 0.50 -1.79 0.07 0.00 0.82 0.00 0.00 66.70 66.30 3k4m h VAL 222 Cb 0.80 1.82 -0.07 0.00 -1.52 0.00 0.00 31.29 32.32 3k4m h VAL 222 CO -0.42 0.31 -0.24 0.25 0.02 0.00 0.00 177.57 177.48 3k4m h LEU 223 N -1.00 -0.79 -0.84 2.57 5.85 -1.27 -2.35 115.31 117.48 3k4m h LEU 223 Ca -0.08 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.85 3k4m h LEU 223 Cb 0.75 0.38 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 3k4m h LEU 223 CO -0.05 -0.28 0.51 0.78 -0.34 0.00 0.00 178.44 179.06 3k4m h ASN 224 N -0.24 0.78 -0.25 1.25 2.35 -0.74 -1.21 115.58 117.54 3k4m h ASN 224 Ca 0.15 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 3k4m h ASN 224 Cb 0.46 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 3k4m h ASN 224 CO -0.41 0.49 -0.12 0.50 -1.65 0.00 0.00 177.43 176.24 3k4m h LYS 225 N 0.91 0.65 0.16 0.81 1.63 -1.45 -1.75 116.57 117.54 3k4m h LYS 225 Ca 0.37 -0.21 -0.30 0.00 -0.85 0.00 0.00 60.65 59.67 3k4m h LYS 225 Cb 0.20 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 31.79 3k4m h LYS 225 CO -0.19 0.76 -1.45 -0.07 -3.45 0.00 0.00 179.45 175.06 3k4m h LEU 226 N 0.59 0.53 -0.57 5.20 3.38 -0.99 0.17 115.31 123.62 3k4m h LEU 226 Ca 0.10 -0.90 0.09 0.00 0.09 0.00 0.00 57.88 57.26 3k4m h LEU 226 Cb 0.56 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.03 3k4m h LEU 226 CO 0.03 1.66 -0.43 0.74 0.09 0.00 0.00 178.44 180.53 3k4m h THR 227 N -0.12 0.09 -0.31 0.22 2.02 -1.29 0.77 112.91 114.30 3k4m h THR 227 Ca -0.29 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.90 3k4m h THR 227 Cb 1.91 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.39 3k4m h THR 227 CO 0.14 0.00 0.19 -0.08 0.37 0.00 0.00 175.52 176.14 3k4m h GLU 228 N -0.23 0.38 -0.09 6.66 4.22 -1.27 -1.35 114.58 122.89 3k4m h GLU 228 Ca 0.18 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.55 3k4m h GLU 228 Cb 0.56 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3k4m h GLU 228 CO -0.68 0.25 -0.16 0.93 -2.18 0.00 0.00 179.01 177.18 3k4m h GLU 229 N 0.39 0.14 -0.48 1.92 4.39 -0.19 -2.84 114.58 117.91 3k4m h GLU 229 Ca 0.12 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.63 3k4m h GLU 229 Cb -0.02 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.52 3k4m h GLU 229 CO -0.04 0.30 0.10 0.66 -1.16 0.00 0.00 179.01 178.87 3k4m n TYR 230 N -4.29 1.56 -1.72 4.33 4.02 0.22 -5.04 117.16 116.25 3k4m n TYR 230 Ca -0.01 -1.27 -0.60 0.00 -0.01 0.00 0.00 57.90 56.00 3k4m n TYR 230 Cb 0.26 -0.52 -0.08 0.00 -0.02 0.00 0.00 39.34 38.98 3k4m n TYR 230 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3k4m n LYS 231 N -0.66 0.83 -2.71 -0.72 4.81 -0.53 -0.42 118.16 118.76 3k4m n LYS 231 Ca 0.33 0.30 -0.18 0.00 -0.87 0.00 0.00 58.31 57.90 3k4m n LYS 231 Cb 1.13 -1.94 0.02 0.00 0.02 0.00 0.00 35.03 34.27 3k4m n LYS 231 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k4m n GLY 232 N 4.18 -0.32 0.00 3.14 0.00 -1.26 -4.83 105.19 106.11 3k4m n GLY 232 Ca 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3k4m n GLY 232 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k4m n GLN 233 N -3.19 0.29 -3.69 1.61 6.02 0.44 -5.11 117.38 113.74 3k4m n GLN 233 Ca -0.13 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.74 3k4m n GLN 233 Cb 0.62 -0.62 -0.06 0.00 1.02 0.00 0.00 30.24 31.19 3k4m n GLN 233 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k4m s ARG 234 N -1.24 0.91 -0.03 -1.09 0.52 -1.11 -5.10 118.95 111.81 3k4m s ARG 234 Ca 0.00 -0.47 0.01 0.00 -0.52 0.00 0.00 55.73 54.76 3k4m s ARG 234 Cb 0.00 0.40 -0.03 0.00 0.52 0.00 0.00 34.95 35.84 3k4m s ARG 234 CO 0.00 -0.31 -0.04 -0.51 0.02 0.00 0.00 175.30 174.45 3k4m s ASP 235 N -2.16 4.84 -0.03 0.23 1.01 -1.26 -4.73 116.67 114.56 3k4m s ASP 235 Ca -0.04 -0.04 0.06 0.00 0.71 0.00 0.00 52.55 53.25 3k4m s ASP 235 Cb -0.00 -1.22 -0.01 0.00 1.01 0.00 0.00 42.92 42.69 3k4m s ASP 235 CO -0.04 0.32 -0.21 -0.36 0.21 0.00 0.00 175.17 175.08 3k4m s PHE 236 N -0.95 1.98 0.30 4.23 0.40 -1.26 -4.16 117.98 118.52 3k4m s PHE 236 Ca 0.16 -0.44 0.07 0.00 -0.60 0.00 0.00 56.93 56.12 3k4m s PHE 236 Cb -0.11 -1.29 -0.03 0.00 0.51 0.00 0.00 43.02 42.11 3k4m s PHE 236 CO 0.06 -0.08 0.25 0.00 0.70 0.00 0.00 175.22 176.14 3k4m n GLN 237 N 2.71 0.37 -2.19 0.44 10.64 -0.68 -4.98 117.38 123.68 3k4m n GLN 237 Ca -0.16 -2.96 -0.41 0.00 -1.83 0.00 0.00 57.00 51.64 3k4m n GLN 237 Cb 0.52 2.41 -0.03 0.00 -0.86 0.00 0.00 30.24 32.29 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 -3.20 4.38 -0.06 2.61 0.74 -1.26 -1.72 119.66 121.16 3k4m s GLN 238 Ca 0.35 2.10 -0.38 0.00 0.05 0.00 0.00 55.36 57.48 3k4m s GLN 238 Cb 0.02 -3.16 -0.16 0.00 1.10 0.00 0.00 33.01 30.81 3k4m s GLN 238 CO 0.25 -0.23 1.52 -0.89 -0.55 0.00 0.00 175.29 175.39 3k4m n ILE 239 N 2.14 0.13 -2.07 -2.34 5.41 -0.45 -4.82 119.36 117.35 3k4m n ILE 239 Ca 0.05 -0.02 -0.42 0.00 1.00 0.00 0.00 62.75 63.36 3k4m n ILE 239 Cb 0.42 -1.03 -0.03 0.00 -0.71 0.00 0.00 39.64 38.30 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 1.77 4.30 0.04 0.38 0.02 -1.26 -4.76 135.00 135.48 3k4m s PRO 240 Ca 0.90 2.22 0.05 0.00 0.02 0.00 0.00 61.00 64.19 3k4m s PRO 240 Cb -0.98 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 30.36 3k4m s PRO 240 CO 0.54 -0.41 -0.15 -0.51 -0.33 0.00 0.00 177.00 176.14 3k4m s LEU 241 N 0.10 2.17 -0.57 -5.54 1.43 0.03 -1.84 118.68 114.45 3k4m s LEU 241 Ca 0.61 -0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 53.04 3k4m s LEU 241 Cb -0.40 -0.66 0.07 0.00 0.03 0.00 0.00 46.19 45.22 3k4m s LEU 241 CO 0.39 0.06 0.80 0.00 0.23 0.00 0.00 176.35 177.82 3k4m s ALA 242 N -0.83 3.27 0.00 4.21 0.00 0.20 -1.42 121.76 127.19 3k4m s ALA 242 Ca 0.03 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.22 3k4m s ALA 242 Cb -0.08 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3k4m s ALA 242 CO 0.01 -2.36 0.00 0.00 0.00 0.00 0.00 175.76 173.41 3k4m n ALA 243 N 6.88 0.00 -3.61 0.00 0.00 -1.14 -2.05 120.51 120.59 3k4m n ALA 243 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 3k4m n ALA 243 Cb 0.45 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.73 3k4m n ALA 243 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3k4m s THR 244 N -1.84 1.48 0.12 0.00 2.01 -0.25 -4.63 115.64 112.52 3k4m s THR 244 Ca 0.00 -0.64 -0.31 0.00 0.31 0.00 0.00 61.69 61.05 3k4m s THR 244 Cb 0.00 -1.35 -0.08 0.00 0.01 0.00 0.00 72.50 71.09 3k4m s THR 244 CO 0.00 0.44 1.36 -0.60 -0.69 0.00 0.00 174.62 175.12 3k4m s ARG 245 N 0.92 4.34 -0.20 4.92 3.52 -1.26 -0.48 118.95 130.71 3k4m s ARG 245 Ca -0.08 2.04 0.06 0.00 -0.13 0.00 0.00 55.73 57.61 3k4m s ARG 245 Cb -0.15 -3.25 -0.21 0.00 -1.56 0.00 0.00 34.95 29.78 3k4m s ARG 245 CO -0.00 -0.39 0.02 0.54 -0.81 0.00 0.00 175.30 174.66 3k4m n ARG 246 N 3.74 0.68 -3.96 5.12 5.12 -0.51 -4.91 116.66 121.93 3k4m n ARG 246 Ca 0.10 0.14 -0.10 0.00 -1.93 0.00 0.00 57.85 56.06 3k4m n ARG 246 Cb 0.43 -1.57 -0.03 0.00 -1.16 0.00 0.00 32.46 30.13 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 -6.29 0.13 0.62 0.55 1.04 -1.02 -4.99 113.70 103.74 3k4m s SER 247 Ca -0.24 -1.05 0.29 0.00 0.48 0.00 0.00 55.95 55.43 3k4m s SER 247 Cb 0.08 0.68 1.58 0.00 0.10 0.00 0.00 66.02 68.46 3k4m s SER 247 CO 0.71 -1.32 1.95 -0.65 0.98 0.00 0.00 173.24 174.90 3k4m h PRO 248 N 2.13 0.00 0.00 4.02 0.11 -1.99 -2.70 132.00 133.57 3k4m h PRO 248 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3k4m h PRO 248 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3k4m h PRO 248 CO 0.35 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.39 3k4m n THR 249 N -3.40 0.24 -3.93 -1.15 -2.24 -1.26 -4.79 114.28 97.75 3k4m n THR 249 Ca 0.03 -0.60 -0.24 0.00 -2.27 0.00 0.00 64.05 60.97 3k4m n THR 249 Cb 0.49 0.91 -0.17 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.24 1.04 -0.16 4.78 2.19 -1.02 -4.88 117.98 119.68 3k4m s PHE 250 Ca 0.00 -0.41 -0.00 0.00 0.33 0.00 0.00 56.93 56.85 3k4m s PHE 250 Cb 0.00 -0.96 -0.00 0.00 -1.31 0.00 0.00 43.02 40.75 3k4m s PHE 250 CO 0.00 -0.38 -0.14 0.08 1.83 0.00 0.00 175.22 176.62 3k4m s VAL 251 N 1.64 2.75 -0.51 3.12 1.01 -1.26 -1.43 120.40 125.71 3k4m s VAL 251 Ca 0.01 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 61.01 3k4m s VAL 251 Cb -0.13 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.12 3k4m s VAL 251 CO -0.05 0.51 0.91 -0.70 0.00 0.00 0.00 175.10 175.77 3k4m s GLU 252 N 0.89 3.39 0.27 2.72 2.12 0.37 -4.86 118.70 123.61 3k4m s GLU 252 Ca -0.04 -0.13 -0.29 0.00 0.36 0.00 0.00 54.97 54.87 3k4m s GLU 252 Cb -0.15 -4.00 -0.09 0.00 0.26 0.00 0.00 34.13 30.14 3k4m s GLU 252 CO -0.01 -1.36 0.98 -1.58 -0.54 0.00 0.00 175.26 172.74 3k4m s TRP 253 N 3.79 3.84 0.77 5.30 0.52 -1.26 -1.09 118.94 130.81 3k4m s TRP 253 Ca 0.32 1.85 -0.11 0.00 0.02 0.00 0.00 56.10 58.17 3k4m s TRP 253 Cb -0.12 -3.03 0.06 0.00 -1.15 0.00 0.00 33.47 29.22 3k4m s TRP 253 CO 0.22 0.19 1.09 -1.12 0.02 0.00 0.00 176.95 177.34 3k4m s SER 254 N -1.21 4.69 0.20 2.95 0.01 -0.87 -4.54 113.70 114.94 3k4m s SER 254 Ca 0.44 1.39 -0.22 0.00 1.31 0.00 0.00 55.95 58.87 3k4m s SER 254 Cb -0.26 -2.15 0.07 0.00 0.21 0.00 0.00 66.02 63.89 3k4m s SER 254 CO 0.32 -1.86 1.01 -0.94 0.41 0.00 0.00 173.24 172.19 3k4m s SER 255 N -3.87 -0.00 0.28 2.44 1.04 -1.26 -4.70 113.70 107.62 3k4m s SER 255 Ca 0.60 -0.71 -0.01 0.00 0.48 0.00 0.00 55.95 56.31 3k4m s SER 255 Cb -0.14 0.54 0.63 0.00 0.10 0.00 0.00 66.02 67.15 3k4m s SER 255 CO 0.54 -1.06 1.64 0.00 0.98 0.00 0.00 173.24 175.34 3k4m h ALA 256 N 2.00 1.13 -0.30 5.32 0.00 -1.78 0.97 119.26 126.60 3k4m h ALA 256 Ca -0.28 0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3k4m h ALA 256 Cb 1.22 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3k4m h ALA 256 CO 0.36 -0.46 0.22 -0.97 0.00 0.00 0.00 179.25 178.40 3k4m h ASN 257 N 0.16 0.00 0.69 0.00 -0.73 -1.65 -0.80 115.58 113.25 3k4m h ASN 257 Ca 0.52 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.53 3k4m h ASN 257 Cb 1.01 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.58 3k4m h ASN 257 CO -0.68 0.00 -0.73 0.74 -0.37 0.00 0.00 177.43 176.39 3k4m h THR 258 N 0.00 1.51 0.02 -3.57 2.02 -1.14 -2.85 112.91 108.90 3k4m h THR 258 Ca 0.14 -2.47 -0.23 0.00 0.77 0.00 0.00 66.41 64.63 3k4m h THR 258 Cb 0.58 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 3k4m h THR 258 CO -0.00 0.71 -0.97 0.58 0.37 0.00 0.00 175.52 176.21 3k4m h VAL 259 N 0.02 1.42 -1.53 3.16 2.07 -1.08 -3.46 116.25 116.85 3k4m h VAL 259 Ca -0.01 -2.53 0.11 0.00 0.82 0.00 0.00 66.70 65.09 3k4m h VAL 259 Cb 1.29 2.48 -0.24 0.00 -1.52 0.00 0.00 31.29 33.31 3k4m h VAL 259 CO 0.10 0.75 0.16 0.12 0.02 0.00 0.00 177.57 178.72 3k4m s PHE 260 N -3.19 -0.86 -1.61 1.57 5.36 -0.43 -4.70 117.98 114.12 3k4m s PHE 260 Ca -0.05 1.57 0.24 0.00 -0.96 0.00 0.00 56.93 57.73 3k4m s PHE 260 Cb 0.09 0.51 1.28 0.00 -0.34 0.00 0.00 43.02 44.56 3k4m s PHE 260 CO 0.87 -0.42 1.79 -0.40 -1.46 0.00 0.00 175.22 175.60 3k4m n ASP 261 N 4.61 0.00 -0.35 6.13 5.68 -1.08 -3.97 116.55 127.56 3k4m n ASP 261 Ca -0.14 -0.28 -0.05 0.00 -0.50 0.00 0.00 54.79 53.83 3k4m n ASP 261 Cb 0.54 -0.20 -0.02 0.00 -1.14 0.00 0.00 41.12 40.31 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 -1.20 0.30 -4.78 -2.12 4.77 -1.26 -4.33 117.00 108.38 3k4m n LEU 262 Ca 0.13 0.11 -0.37 0.00 -0.03 0.00 0.00 56.01 55.86 3k4m n LEU 262 Cb 0.16 -2.29 -0.03 0.00 -2.33 0.00 0.00 43.42 38.92 3k4m n LEU 262 CO 0.17 -0.88 0.77 -1.10 -1.33 0.00 0.00 177.39 175.02 3k4m s GLN 263 N -2.17 4.04 0.59 3.23 -1.52 -1.26 -4.75 119.66 117.82 3k4m s GLN 263 Ca 0.00 1.61 -0.18 0.00 -1.95 0.00 0.00 55.36 54.84 3k4m s GLN 263 Cb 0.00 -2.51 -0.03 0.00 -0.22 0.00 0.00 33.01 30.25 3k4m s GLN 263 CO 0.00 -0.28 1.15 -0.80 -0.25 0.00 0.00 175.29 175.12 3k4m s ASN 264 N -1.47 5.36 0.05 5.90 0.01 -1.26 -4.87 114.94 118.66 3k4m s ASN 264 Ca 0.59 2.21 0.02 0.00 -0.71 0.00 0.00 52.86 54.98 3k4m s ASN 264 Cb -0.25 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 38.81 3k4m s ASN 264 CO 0.30 -1.47 -0.08 -0.13 -1.51 0.00 0.00 177.10 174.21 3k4m s ARG 265 N -3.50 0.59 0.55 -0.60 0.52 -0.30 -4.25 118.95 111.96 3k4m s ARG 265 Ca 0.73 -0.83 -0.18 0.00 -0.52 0.00 0.00 55.73 54.93 3k4m s ARG 265 Cb -0.25 -0.35 -0.05 0.00 0.52 0.00 0.00 34.95 34.82 3k4m s ARG 265 CO 0.33 0.06 1.08 -1.25 0.02 0.00 0.00 175.30 175.54 3k4m s PRO 266 N -1.78 3.42 0.32 3.54 0.04 -0.96 -1.82 135.00 137.75 3k4m s PRO 266 Ca -0.07 1.42 0.04 0.00 0.04 0.00 0.00 61.00 62.44 3k4m s PRO 266 Cb -0.09 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 3k4m s PRO 266 CO 0.00 -0.76 0.31 0.54 0.04 0.00 0.00 177.00 177.13 3k4m s ASN 267 N -2.14 1.37 0.58 6.66 2.20 -1.09 -4.92 114.94 117.60 3k4m s ASN 267 Ca 0.68 -1.67 0.27 0.00 -0.94 0.00 0.00 52.86 51.21 3k4m s ASN 267 Cb -0.19 0.56 1.58 0.00 -2.00 0.00 0.00 41.25 41.20 3k4m s ASN 267 CO 0.28 -1.09 2.07 0.74 -2.94 0.00 0.00 177.10 176.16 3k4m h THR 268 N 2.18 0.53 0.00 0.54 2.02 -1.98 -1.10 112.91 115.10 3k4m h THR 268 Ca -0.27 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 66.73 3k4m h THR 268 Cb 1.24 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 3k4m h THR 268 CO 0.38 0.00 -2.19 0.47 0.37 0.00 0.00 175.52 174.56 3k4m n ASP 269 N -3.92 0.02 -3.21 4.18 8.00 -1.26 -4.60 116.55 115.77 3k4m n ASP 269 Ca 0.03 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.29 3k4m n ASP 269 Cb 0.38 1.51 -0.07 0.00 -0.02 0.00 0.00 41.12 42.91 3k4m n ASP 269 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k4m n ALA 270 N -2.50 2.32 0.58 2.24 0.00 -0.63 -4.99 120.51 117.54 3k4m n ALA 270 Ca -0.18 -3.23 0.11 0.00 0.00 0.00 0.00 53.44 50.13 3k4m n ALA 270 Cb 0.86 -0.83 0.43 0.00 0.00 0.00 0.00 19.45 19.91 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 1.74 0.09 -0.18 0.00 -0.04 -0.51 -2.65 135.00 133.45 3k4m n PRO 271 Ca 0.22 0.25 0.08 0.00 -0.04 0.00 0.00 63.50 64.01 3k4m n PRO 271 Cb 0.52 -1.65 0.17 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.82 2.33 -3.50 0.54 1.02 -1.26 -4.73 120.64 113.21 3k4m n GLU 272 Ca 0.04 -2.04 -0.20 0.00 -0.02 0.00 0.00 57.16 54.94 3k4m n GLU 272 Cb 0.26 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.29 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 -1.10 2.63 -0.13 3.49 2.02 -1.13 -4.89 118.70 119.59 3k4m s GLU 273 Ca 0.29 -1.43 -0.02 0.00 0.02 0.00 0.00 54.97 53.82 3k4m s GLU 273 Cb 0.16 -2.47 0.04 0.00 0.10 0.00 0.00 34.13 31.97 3k4m s GLU 273 CO 0.22 -0.15 0.03 1.03 0.02 0.00 0.00 175.26 176.41 3k4m s ARG 274 N -4.15 0.49 -0.15 1.61 0.52 -1.26 -2.27 118.95 113.74 3k4m s ARG 274 Ca 0.48 -0.10 -0.11 0.00 -0.52 0.00 0.00 55.73 55.49 3k4m s ARG 274 Cb -0.05 -1.49 0.05 0.00 0.52 0.00 0.00 34.95 33.98 3k4m s ARG 274 CO 0.29 -0.49 0.38 0.12 0.02 0.00 0.00 175.30 175.62 3k4m s PHE 275 N 1.97 -0.48 -0.09 -0.53 5.36 -0.76 -1.59 117.98 121.87 3k4m s PHE 275 Ca 0.02 1.10 0.02 0.00 -0.96 0.00 0.00 56.93 57.12 3k4m s PHE 275 Cb -0.15 0.18 0.01 0.00 -0.34 0.00 0.00 43.02 42.73 3k4m s PHE 275 CO -0.07 -0.26 -0.16 -0.80 -1.46 0.00 0.00 175.22 172.47 3k4m s ASN 276 N 0.81 2.27 -0.12 6.13 -0.87 -0.79 -1.15 114.94 121.22 3k4m s ASN 276 Ca -0.05 -0.39 -0.15 0.00 -1.57 0.00 0.00 52.86 50.69 3k4m s ASN 276 Cb -0.06 -1.03 -0.05 0.00 -0.02 0.00 0.00 41.25 40.09 3k4m s ASN 276 CO -0.06 0.05 0.36 -0.22 -2.57 0.00 0.00 177.10 174.67 3k4m s LEU 277 N 0.70 4.29 -0.33 0.60 2.96 -1.26 -0.77 118.68 124.86 3k4m s LEU 277 Ca -0.13 0.67 0.03 0.00 -0.22 0.00 0.00 54.13 54.48 3k4m s LEU 277 Cb -0.16 -2.50 0.10 0.00 0.50 0.00 0.00 46.19 44.13 3k4m s LEU 277 CO 0.03 0.11 0.05 -0.36 -1.32 0.00 0.00 176.35 174.86 3k4m s PHE 278 N 0.27 3.49 0.65 5.38 0.08 0.17 -4.95 117.98 123.08 3k4m s PHE 278 Ca 0.20 -2.83 -0.09 0.00 0.12 0.00 0.00 56.93 54.33 3k4m s PHE 278 Cb -0.14 -2.76 0.01 0.00 -0.57 0.00 0.00 43.02 39.56 3k4m s PHE 278 CO 0.07 -0.94 1.00 -2.14 -0.10 0.00 0.00 175.22 173.12 3k4m s PRO 279 N 1.00 2.87 -0.86 0.24 0.02 -1.26 -1.34 135.00 135.67 3k4m s PRO 279 Ca 0.11 0.23 -0.05 0.00 0.02 0.00 0.00 61.00 61.30 3k4m s PRO 279 Cb -0.19 -2.14 0.01 0.00 0.02 0.00 0.00 34.50 32.20 3k4m s PRO 279 CO -0.10 -0.89 0.66 0.00 -0.33 0.00 0.00 177.00 176.34 3k4m n ALA 280 N -2.81 -0.76 -3.82 -1.55 0.00 0.24 -4.84 120.51 106.97 3k4m n ALA 280 Ca 0.06 0.24 -0.29 0.00 0.00 0.00 0.00 53.44 53.45 3k4m n ALA 280 Cb 0.57 -3.39 -0.16 0.00 0.00 0.00 0.00 19.45 16.47 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 -3.14 0.96 -0.46 0.00 1.01 -0.26 -1.74 120.40 116.76 3k4m s VAL 281 Ca 0.33 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 3k4m s VAL 281 Cb -0.14 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 34.89 3k4m s VAL 281 CO 0.40 -0.18 1.18 0.00 0.00 0.00 0.00 175.10 176.50 3k4m s ALA 282 N 1.65 3.15 0.01 5.51 0.00 0.82 -2.92 121.76 129.99 3k4m s ALA 282 Ca -0.03 -0.42 -0.28 0.00 0.00 0.00 0.00 51.96 51.24 3k4m s ALA 282 Cb -0.18 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.00 3k4m s ALA 282 CO -0.08 -2.26 0.88 0.00 0.00 0.00 0.00 175.76 174.30 3k4m n GLU 284 N 3.48 0.18 -3.53 0.00 1.02 0.02 -4.97 120.64 116.83 3k4m n GLU 284 Ca 0.02 0.04 -0.15 0.00 -0.02 0.00 0.00 57.16 57.06 3k4m n GLU 284 Cb 0.51 -1.12 -0.05 0.00 -0.02 0.00 0.00 31.44 30.76 3k4m n GLU 284 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3k4m s ARG 285 N -2.14 1.08 -0.18 3.49 1.70 -1.08 -4.70 118.95 117.11 3k4m s ARG 285 Ca -0.10 -0.14 -0.08 0.00 -0.47 0.00 0.00 55.73 54.95 3k4m s ARG 285 Cb 0.03 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.86 3k4m s ARG 285 CO 0.16 -0.39 0.07 0.14 -1.08 0.00 0.00 175.30 174.20 3k4m s VAL 286 N -2.32 4.87 -0.13 4.99 -7.23 -1.26 0.96 120.40 120.28 3k4m s VAL 286 Ca -0.06 -0.01 -0.24 0.00 -1.81 0.00 0.00 61.98 59.87 3k4m s VAL 286 Cb -0.01 -3.19 -0.03 0.00 0.56 0.00 0.00 36.38 33.71 3k4m s VAL 286 CO -0.00 0.46 0.74 -0.69 -0.31 0.00 0.00 175.10 175.30 3k4m s VAL 287 N 0.31 4.98 0.08 1.32 1.01 -0.34 -4.76 120.40 123.00 3k4m s VAL 287 Ca 0.04 1.48 -0.15 0.00 0.00 0.00 0.00 61.98 63.35 3k4m s VAL 287 Cb -0.12 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 3k4m s VAL 287 CO -0.00 0.14 0.50 -0.13 0.00 0.00 0.00 175.10 175.61 3k4m s ARG 288 N 1.52 3.99 0.78 2.72 0.52 -1.26 0.14 118.95 127.36 3k4m s ARG 288 Ca 0.36 0.50 -0.11 0.00 -0.52 0.00 0.00 55.73 55.96 3k4m s ARG 288 Cb -0.17 -3.09 0.06 0.00 0.52 0.00 0.00 34.95 32.27 3k4m s ARG 288 CO 0.15 0.58 1.10 0.54 0.02 0.00 0.00 175.30 177.70 3k4m s ASN 289 N -1.41 4.34 0.28 0.23 4.22 0.24 -4.86 114.94 117.99 3k4m s ASN 289 Ca 0.31 1.91 -0.01 0.00 -2.14 0.00 0.00 52.86 52.93 3k4m s ASN 289 Cb -0.16 -2.53 0.64 0.00 1.28 0.00 0.00 41.25 40.47 3k4m s ASN 289 CO 0.18 -2.15 1.60 0.00 -2.04 0.00 0.00 177.10 174.69 3k4m h ALA 290 N -1.08 1.06 0.00 3.54 0.00 -1.99 -0.48 119.26 120.31 3k4m h ALA 290 Ca -0.44 0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3k4m h ALA 290 Cb 1.24 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3k4m h ALA 290 CO 0.50 -0.50 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3k4m n LEU 291 N -5.40 0.00 -3.52 0.00 4.77 -1.26 -4.94 117.00 106.65 3k4m n LEU 291 Ca 0.20 0.47 -0.20 0.00 -0.03 0.00 0.00 56.01 56.45 3k4m n LEU 291 Cb 0.65 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 41.33 3k4m n LEU 291 CO -0.01 -0.05 -0.00 0.59 -1.33 0.00 0.00 177.39 176.59 3k4m n ASN 292 N -1.47 -3.36 0.00 -1.43 3.02 -0.19 -4.85 115.26 106.97 3k4m n ASN 292 Ca 0.07 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 3k4m n ASN 292 Cb 0.29 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 34.96 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 -3.06 0.07 -3.72 6.41 3.41 -1.25 -4.46 113.62 111.02 3k4m n SER 293 Ca -0.21 -0.48 -0.14 0.00 -0.26 0.00 0.00 58.87 57.78 3k4m n SER 293 Cb 0.65 0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.09 0.62 -0.09 4.33 2.12 -1.26 -0.43 118.70 123.90 3k4m s GLU 294 Ca 0.00 0.27 -0.21 0.00 0.36 0.00 0.00 54.97 55.39 3k4m s GLU 294 Cb 0.00 0.29 -0.04 0.00 0.26 0.00 0.00 34.13 34.64 3k4m s GLU 294 CO 0.00 -0.13 0.59 0.42 -0.54 0.00 0.00 175.26 175.60 3k4m s ILE 295 N -0.50 5.11 -0.19 -3.70 -1.09 -1.26 -0.59 121.20 118.98 3k4m s ILE 295 Ca -0.06 1.21 0.17 0.00 -2.23 0.00 0.00 60.65 59.73 3k4m s ILE 295 Cb -0.03 -3.93 -0.24 0.00 -1.58 0.00 0.00 42.46 36.68 3k4m s ILE 295 CO 0.03 0.29 0.06 -0.62 -1.23 0.00 0.00 174.94 173.47 3k4m n GLU 296 N 3.71 0.84 -3.86 2.79 -0.58 0.12 -4.94 120.64 118.73 3k4m n GLU 296 Ca -0.04 -0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.62 3k4m n GLU 296 Cb 0.51 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.88 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 -5.40 -0.14 -0.22 1.62 1.04 -1.25 -4.72 113.70 104.63 3k4m s SER 297 Ca -0.10 -0.82 -0.04 0.00 0.48 0.00 0.00 55.95 55.46 3k4m s SER 297 Cb 0.06 0.76 -0.01 0.00 0.10 0.00 0.00 66.02 66.93 3k4m s SER 297 CO 0.78 -1.45 -0.03 -0.22 0.98 0.00 0.00 173.24 173.30 3k4m s LEU 298 N -2.98 2.97 -0.28 2.42 2.96 0.44 -1.20 118.68 123.01 3k4m s LEU 298 Ca 0.14 -0.35 -0.19 0.00 -0.22 0.00 0.00 54.13 53.50 3k4m s LEU 298 Cb -0.05 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 3k4m s LEU 298 CO 0.09 -0.01 0.57 -2.28 -1.32 0.00 0.00 176.35 173.40 3k4m s HIS 299 N 1.40 3.25 0.35 5.38 5.65 0.27 0.95 115.29 132.54 3k4m s HIS 299 Ca 0.05 0.62 0.09 0.00 0.25 0.00 0.00 55.06 56.07 3k4m s HIS 299 Cb -0.14 -2.84 -0.07 0.00 -1.18 0.00 0.00 32.58 28.35 3k4m s HIS 299 CO -0.02 -0.37 -0.08 0.96 -0.65 0.00 0.00 174.74 174.59 3k4m s ILE 300 N 2.44 2.24 -0.14 0.89 -4.36 0.06 -0.79 121.20 121.54 3k4m s ILE 300 Ca 0.23 -2.17 -0.01 0.00 -0.26 0.00 0.00 60.65 58.44 3k4m s ILE 300 Cb -0.15 -2.70 0.04 0.00 1.25 0.00 0.00 42.46 40.90 3k4m s ILE 300 CO 0.10 -0.18 -0.02 -2.28 0.24 0.00 0.00 174.94 172.80 3k4m s HIS 301 N -2.61 1.24 -0.51 1.37 5.65 0.19 -1.87 115.29 118.75 3k4m s HIS 301 Ca 0.33 -0.73 -0.26 0.00 0.25 0.00 0.00 55.06 54.65 3k4m s HIS 301 Cb 0.03 -1.10 0.03 0.00 -1.18 0.00 0.00 32.58 30.36 3k4m s HIS 301 CO 0.17 -0.52 0.98 0.34 -0.65 0.00 0.00 174.74 175.06 3k4m s ASP 302 N 1.78 6.45 0.49 9.88 -1.08 0.12 -0.13 116.67 134.19 3k4m s ASP 302 Ca 0.02 -0.01 0.21 0.00 -0.52 0.00 0.00 52.55 52.25 3k4m s ASP 302 Cb -0.14 -2.47 1.28 0.00 -1.46 0.00 0.00 42.92 40.13 3k4m s ASP 302 CO -0.07 -1.18 2.06 -0.07 0.52 0.00 0.00 175.17 176.42 3k4m h LEU 303 N 10.94 0.00 0.00 -1.34 3.38 -1.64 0.86 115.31 127.51 3k4m h LEU 303 Ca -0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3k4m h LEU 303 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3k4m h LEU 303 CO 1.08 0.13 -0.16 0.40 0.09 0.00 0.00 178.44 179.98 3k4m h ILE 304 N 0.00 1.47 -0.00 1.22 2.04 -1.91 -3.34 117.51 116.99 3k4m h ILE 304 Ca -0.00 -2.16 -0.12 0.00 1.00 0.00 0.00 64.86 63.58 3k4m h ILE 304 Cb 0.29 2.84 -0.02 0.00 -0.74 0.00 0.00 36.82 39.19 3k4m h ILE 304 CO 0.02 0.50 -0.56 0.77 0.00 0.00 0.00 178.15 178.88 3k4m h SER 305 N -1.00 0.00 0.00 1.72 4.64 -1.94 -3.47 113.55 113.51 3k4m h SER 305 Ca -0.04 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3k4m h SER 305 Cb 0.92 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3k4m h SER 305 CO -0.02 0.56 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 3k4m n GLY 306 N 0.08 0.45 3.80 -0.77 0.00 0.29 -5.07 105.19 103.96 3k4m n GLY 306 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.55 7.19 0.05 1.61 1.01 -1.15 -4.70 116.67 118.13 3k4m s ASP 307 Ca 0.00 1.54 0.01 0.00 0.71 0.00 0.00 52.55 54.81 3k4m s ASP 307 Cb 0.00 -2.46 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 3k4m s ASP 307 CO 0.00 0.07 0.12 -0.13 0.21 0.00 0.00 175.17 175.44 3k4m s ARG 308 N -1.75 3.12 -0.05 8.23 0.52 -1.26 0.13 118.95 127.88 3k4m s ARG 308 Ca 0.42 -0.55 -0.14 0.00 -0.52 0.00 0.00 55.73 54.94 3k4m s ARG 308 Cb -0.19 -2.87 0.03 0.00 0.52 0.00 0.00 34.95 32.44 3k4m s ARG 308 CO 0.23 0.60 0.32 -0.06 0.02 0.00 0.00 175.30 176.41 3k4m s PHE 309 N -1.38 -0.24 -0.17 -0.53 0.08 -0.78 -4.98 117.98 109.97 3k4m s PHE 309 Ca 0.29 0.47 -0.09 0.00 0.12 0.00 0.00 56.93 57.73 3k4m s PHE 309 Cb -0.12 0.11 -0.05 0.00 -0.57 0.00 0.00 43.02 42.39 3k4m s PHE 309 CO 0.22 -0.32 0.13 -1.21 -0.10 0.00 0.00 175.22 173.94 3k4m s GLU 310 N -0.83 3.90 -0.10 0.44 0.41 -1.26 -0.76 118.70 120.50 3k4m s GLU 310 Ca -0.09 -0.20 0.04 0.00 -0.41 0.00 0.00 54.97 54.31 3k4m s GLU 310 Cb -0.04 -3.32 0.00 0.00 -1.78 0.00 0.00 34.13 28.99 3k4m s GLU 310 CO 0.03 0.47 -0.23 0.42 -0.49 0.00 0.00 175.26 175.46 3k4m s ILE 311 N -0.14 1.97 0.00 -1.63 -1.09 0.27 -4.89 121.20 115.69 3k4m s ILE 311 Ca 0.10 -0.97 0.05 0.00 -2.23 0.00 0.00 60.65 57.61 3k4m s ILE 311 Cb -0.11 -1.72 -0.03 0.00 -1.58 0.00 0.00 42.46 39.02 3k4m s ILE 311 CO 0.00 0.54 -0.15 -0.75 -1.23 0.00 0.00 174.94 173.36 3k4m s LYS 312 N 0.42 2.31 0.26 2.79 2.20 -0.83 0.17 119.74 127.06 3k4m s LYS 312 Ca -0.17 -0.83 -0.07 0.00 -0.36 0.00 0.00 55.97 54.54 3k4m s LYS 312 Cb -0.18 -2.31 -0.01 0.00 -1.51 0.00 0.00 37.83 33.82 3k4m s LYS 312 CO 0.07 0.58 0.38 0.00 -0.36 0.00 0.00 175.35 176.02 3k4m s ALA 313 N -0.87 0.44 0.10 3.13 0.00 -1.25 -1.90 121.76 121.40 3k4m s ALA 313 Ca 0.14 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 3k4m s ALA 313 Cb -0.11 1.19 -0.22 0.00 0.00 0.00 0.00 23.12 23.98 3k4m s ALA 313 CO 0.04 -0.76 1.21 -0.44 0.00 0.00 0.00 175.76 175.80 3k4m h ASP 314 N 2.32 0.38 -3.69 0.00 3.32 -1.06 -3.46 116.42 114.22 3k4m h ASP 314 Ca -0.29 -0.38 -0.48 0.00 0.02 0.00 0.00 57.03 55.90 3k4m h ASP 314 Cb 1.25 -0.12 -0.32 0.00 0.22 0.00 0.00 39.33 40.36 3k4m h ASP 314 CO 0.41 1.26 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.70 3k4m s VAL 315 N -2.81 1.02 -0.21 -1.35 1.01 -0.27 -4.83 120.40 112.95 3k4m s VAL 315 Ca -0.04 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 3k4m s VAL 315 Cb 0.08 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.57 3k4m s VAL 315 CO 0.87 0.32 -0.13 -0.31 0.00 0.00 0.00 175.10 175.85 3k4m s TYR 316 N 0.35 2.95 -0.15 5.22 1.51 -0.43 -0.89 117.35 125.90 3k4m s TYR 316 Ca -0.07 -1.61 -0.01 0.00 -1.01 0.00 0.00 57.07 54.37 3k4m s TYR 316 Cb -0.12 -1.99 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 3k4m s TYR 316 CO 0.02 -0.76 -0.11 0.08 -1.11 0.00 0.00 175.55 173.67 3k4m s VAL 317 N 1.30 3.14 -0.38 0.71 1.01 0.98 -1.69 120.40 125.47 3k4m s VAL 317 Ca 0.02 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 3k4m s VAL 317 Cb -0.15 -2.35 0.04 0.00 0.00 0.00 0.00 36.38 33.92 3k4m s VAL 317 CO -0.08 0.50 0.21 -0.76 0.00 0.00 0.00 175.10 174.97 3k4m s LEU 318 N 0.59 4.77 -0.41 3.92 1.43 0.15 0.13 118.68 129.26 3k4m s LEU 318 Ca -0.07 -1.11 0.10 0.00 -1.03 0.00 0.00 54.13 52.02 3k4m s LEU 318 Cb -0.15 -2.00 0.42 0.00 0.03 0.00 0.00 46.19 44.49 3k4m s LEU 318 CO 0.03 -0.41 1.02 0.35 0.23 0.00 0.00 176.35 177.57 3k4m n THR 319 N 4.97 1.84 0.95 5.49 -2.24 0.13 -1.64 114.28 123.77 3k4m n THR 319 Ca -0.12 -4.34 0.09 0.00 -2.27 0.00 0.00 64.05 57.41 3k4m n THR 319 Cb 0.45 -0.58 0.27 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.28 2.47 0.00 6.98 0.00 -1.04 -4.27 120.51 124.37 3k4m n ALA 320 Ca 0.28 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3k4m n ALA 320 Cb 0.69 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 1.15 0.81 0.24 0.00 0.00 -1.26 -4.10 105.19 102.02 3k4m n GLY 321 Ca 0.15 -1.81 -0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 1.32 0.00 4.61 0.00 -1.91 0.10 119.26 123.38 3k4m h ALA 322 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3k4m h ALA 322 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3k4m h ALA 322 CO 0.00 0.46 -0.01 0.28 0.00 0.00 0.00 179.25 179.98 3k4m h VAL 323 N 0.32 1.65 0.00 0.00 2.07 -1.95 -3.24 116.25 115.10 3k4m h VAL 323 Ca 0.06 -2.24 -0.17 0.00 0.82 0.00 0.00 66.70 65.16 3k4m h VAL 323 Cb 0.51 3.13 -0.02 0.00 -1.52 0.00 0.00 31.29 33.38 3k4m h VAL 323 CO 0.03 0.56 -0.81 0.45 0.02 0.00 0.00 177.57 177.83 3k4m h HIS 324 N -1.00 0.00 -0.44 1.57 -0.00 -1.66 -1.50 115.15 112.12 3k4m h HIS 324 Ca -0.00 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.46 3k4m h HIS 324 Cb 0.92 0.00 -0.09 0.00 -0.00 0.00 0.00 27.41 28.25 3k4m h HIS 324 CO 0.26 0.81 -0.12 -0.91 -0.00 0.00 0.00 177.93 177.96 3k4m h ASN 325 N 0.00 -0.45 -0.11 2.45 4.21 -0.95 -0.93 115.58 119.81 3k4m h ASN 325 Ca -0.01 0.14 -0.02 0.00 1.21 0.00 0.00 56.30 57.62 3k4m h ASN 325 Cb 1.57 0.29 -0.00 0.00 -1.12 0.00 0.00 38.32 39.06 3k4m h ASN 325 CO 0.10 -0.16 0.01 0.74 -1.29 0.00 0.00 177.43 176.83 3k4m h THR 326 N -0.01 1.24 -0.73 2.81 2.02 -1.44 -2.16 112.91 114.64 3k4m h THR 326 Ca 0.21 -0.76 0.16 0.00 0.77 0.00 0.00 66.41 66.80 3k4m h THR 326 Cb 0.34 1.54 -0.13 0.00 -1.74 0.00 0.00 68.15 68.16 3k4m h THR 326 CO -0.46 0.22 -0.04 -0.61 0.37 0.00 0.00 175.52 174.99 3k4m h GLN 327 N -0.07 0.07 -0.15 6.66 4.15 -1.19 -0.76 115.11 123.83 3k4m h GLN 327 Ca 0.03 -0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.31 3k4m h GLN 327 Cb 0.33 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.01 3k4m h GLN 327 CO 0.00 0.05 -0.46 1.25 -1.93 0.00 0.00 178.83 177.74 3k4m h LEU 328 N 0.08 0.66 -0.66 -2.39 6.46 -0.84 -0.12 115.31 118.50 3k4m h LEU 328 Ca 0.38 -0.60 0.06 0.00 -0.12 0.00 0.00 57.88 57.61 3k4m h LEU 328 Cb 0.65 -0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.34 3k4m h LEU 328 CO -0.67 1.14 0.36 -0.07 -0.62 0.00 0.00 178.44 178.59 3k4m h LEU 329 N 0.21 0.54 -1.00 2.25 3.38 -1.36 -1.27 115.31 118.06 3k4m h LEU 329 Ca -0.02 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3k4m h LEU 329 Cb 1.08 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3k4m h LEU 329 CO 0.10 0.35 -0.27 0.58 0.09 0.00 0.00 178.44 179.29 3k4m h VAL 330 N 0.67 1.26 0.00 1.22 2.07 -0.94 0.59 116.25 121.13 3k4m h VAL 330 Ca 0.29 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3k4m h VAL 330 Cb 0.18 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3k4m h VAL 330 CO -0.18 0.39 0.00 -1.13 0.02 0.00 0.00 177.57 176.67 3k4m h ASN 331 N 0.35 0.00 -0.15 0.57 -1.24 0.15 -2.20 115.58 113.05 3k4m h ASN 331 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.06 3k4m h ASN 331 Cb 0.66 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.71 3k4m h ASN 331 CO 0.05 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 174.99 3k4m n SER 332 N -2.49 2.33 0.00 1.15 7.64 0.12 -4.89 113.62 117.48 3k4m n SER 332 Ca -0.02 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.18 3k4m n SER 332 Cb 0.06 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.56 0.72 3.81 0.23 0.00 -0.83 -4.78 105.19 104.90 3k4m n GLY 333 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.48 3.16 0.00 1.61 0.40 -0.73 -4.64 117.98 115.31 3k4m s PHE 334 Ca 0.00 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 57.86 3k4m s PHE 334 Cb 0.00 -2.94 0.00 0.00 0.51 0.00 0.00 43.02 40.59 3k4m s PHE 334 CO 0.00 -0.69 0.00 0.41 0.70 0.00 0.00 175.22 175.64 3k4m n GLY 335 N -0.88 0.53 2.97 4.36 0.00 -0.08 -4.16 105.19 107.93 3k4m n GLY 335 Ca 0.08 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 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 1.70 0.43 1.61 0.74 -1.26 -4.49 119.66 118.39 3k4m s GLN 336 Ca 0.00 -0.36 -0.23 0.00 0.05 0.00 0.00 55.36 54.82 3k4m s GLN 336 Cb 0.00 -1.59 -0.08 0.00 1.10 0.00 0.00 33.01 32.44 3k4m s GLN 336 CO 0.00 -0.15 1.08 -1.17 -0.55 0.00 0.00 175.29 174.50 3k4m s LEU 337 N 1.28 4.05 0.00 3.68 2.96 -1.26 -4.75 118.68 124.64 3k4m s LEU 337 Ca -0.02 2.10 0.00 0.00 -0.22 0.00 0.00 54.13 55.99 3k4m s LEU 337 Cb -0.14 -4.26 0.00 0.00 0.50 0.00 0.00 46.19 42.29 3k4m s LEU 337 CO -0.04 -0.67 0.00 0.61 -1.32 0.00 0.00 176.35 174.93 3k4m n GLY 338 N 0.28 -0.85 3.62 7.98 0.00 0.14 -4.85 105.19 111.52 3k4m n GLY 338 Ca 0.06 -1.69 -0.49 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.86 1.54 -1.61 1.61 0.63 -1.26 -4.53 116.66 112.17 3k4m n ARG 339 Ca 0.00 0.55 -0.40 0.00 -0.92 0.00 0.00 57.85 57.08 3k4m n ARG 339 Cb 0.00 -2.21 0.02 0.00 0.45 0.00 0.00 32.46 30.72 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 2.61 1.27 -3.35 -0.14 -0.02 -1.26 -4.99 135.00 129.12 3k4m n PRO 340 Ca 0.17 0.46 -0.10 0.00 -2.02 0.00 0.00 63.50 62.01 3k4m n PRO 340 Cb 0.24 -2.10 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 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 -0.86 0.42 0.01 2.55 3.04 -1.26 -5.06 114.94 113.78 3k4m s ASN 341 Ca 0.66 0.02 -0.22 0.00 0.04 0.00 0.00 52.86 53.36 3k4m s ASN 341 Cb -0.51 1.04 -0.17 0.00 -1.54 0.00 0.00 41.25 40.07 3k4m s ASN 341 CO 0.54 -0.32 1.29 1.55 -3.04 0.00 0.00 177.10 177.13 3k4m h PRO 342 N 8.19 0.25 -1.05 0.43 0.13 -2.00 -1.91 132.00 136.03 3k4m h PRO 342 Ca -0.17 -0.14 0.31 0.00 -0.87 0.00 0.00 66.00 65.13 3k4m h PRO 342 Cb 1.14 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 3k4m h PRO 342 CO 0.28 0.70 0.78 0.00 -0.23 0.00 0.00 178.00 179.53 3k4m n ALA 343 N -2.41 1.01 -3.22 -0.56 0.00 -1.26 -2.20 120.51 111.88 3k4m n ALA 343 Ca -0.07 0.35 -0.24 0.00 0.00 0.00 0.00 53.44 53.47 3k4m n ALA 343 Cb 0.35 -0.61 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 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 -3.00 2.08 -4.80 0.00 2.85 -0.72 -5.12 115.26 106.55 3k4m n ASN 344 Ca 0.24 -3.14 -0.33 0.00 -0.11 0.00 0.00 54.58 51.24 3k4m n ASN 344 Cb 1.10 -0.63 0.01 0.00 1.24 0.00 0.00 39.78 41.50 3k4m n ASN 344 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3k4m s PRO 345 N -2.19 3.32 0.95 1.20 0.05 -0.93 -4.87 135.00 132.52 3k4m s PRO 345 Ca 0.40 1.18 -0.15 0.00 0.05 0.00 0.00 61.00 62.48 3k4m s PRO 345 Cb 0.22 -2.03 0.17 0.00 0.05 0.00 0.00 34.50 32.91 3k4m s PRO 345 CO -0.08 -0.81 1.25 -1.25 0.05 0.00 0.00 177.00 176.16 3k4m s PRO 346 N -4.12 0.80 -0.21 0.56 0.04 -1.26 -5.00 135.00 125.81 3k4m s PRO 346 Ca 0.63 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.50 3k4m s PRO 346 Cb -0.16 -1.84 -0.20 0.00 0.04 0.00 0.00 34.50 32.34 3k4m s PRO 346 CO 0.38 -2.34 -0.00 -1.91 0.04 0.00 0.00 177.00 173.16 3k4m n GLU 347 N -3.77 0.69 -4.69 4.56 2.13 -1.26 -4.81 120.64 113.49 3k4m n GLU 347 Ca 0.12 0.18 -0.31 0.00 0.66 0.00 0.00 57.16 57.81 3k4m n GLU 347 Cb 0.60 -1.59 -0.13 0.00 0.27 0.00 0.00 31.44 30.59 3k4m n GLU 347 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3k4m s LEU 348 N -6.62 2.64 -1.14 4.31 1.43 -1.26 -4.83 118.68 113.21 3k4m s LEU 348 Ca -0.29 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 52.17 3k4m s LEU 348 Cb 0.08 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.78 3k4m s LEU 348 CO 0.67 0.27 0.72 0.18 0.23 0.00 0.00 176.35 178.42 3k4m n LEU 349 N 1.65 -1.56 0.00 1.79 4.77 -1.26 -0.90 117.00 121.50 3k4m n LEU 349 Ca -0.16 -1.14 0.03 0.00 -0.03 0.00 0.00 56.01 54.71 3k4m n LEU 349 Cb 0.52 -1.97 0.13 0.00 -2.33 0.00 0.00 43.42 39.77 3k4m n LEU 349 CO 0.27 0.60 0.58 -0.81 -1.33 0.00 0.00 177.39 176.70 3k4m n PRO 350 N -4.45 0.01 0.01 3.23 -0.04 -1.26 -1.05 135.00 131.47 3k4m n PRO 350 Ca -0.12 0.37 0.11 0.00 -0.04 0.00 0.00 63.50 63.83 3k4m n PRO 350 Cb 0.58 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.47 0.65 -4.70 3.54 7.64 -1.26 -4.87 113.62 113.15 3k4m n SER 351 Ca 0.02 -0.36 -0.58 0.00 1.01 0.00 0.00 58.87 58.96 3k4m n SER 351 Cb 0.06 0.59 -0.07 0.00 -1.01 0.00 0.00 64.21 63.78 3k4m n SER 351 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3k4m n LEU 352 N -1.71 2.23 -0.10 -3.43 7.94 -0.21 -1.81 117.00 119.91 3k4m n LEU 352 Ca 0.04 1.09 -0.01 0.00 -1.11 0.00 0.00 56.01 56.01 3k4m n LEU 352 Cb 0.38 -1.13 -0.01 0.00 0.53 0.00 0.00 43.42 43.19 3k4m n LEU 352 CO 0.39 -0.53 -0.01 0.61 -1.11 0.00 0.00 177.39 176.74 3k4m n GLY 353 N 4.00 0.50 3.69 -3.96 0.00 -0.03 -4.84 105.19 104.55 3k4m n GLY 353 Ca 0.26 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.31 4.20 -1.84 1.61 0.01 -0.75 -1.35 113.70 113.27 3k4m s SER 354 Ca 0.00 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.07 3k4m s SER 354 Cb 0.00 -0.45 0.00 0.00 0.21 0.00 0.00 66.02 65.78 3k4m s SER 354 CO 0.00 -0.50 0.00 -1.22 0.41 0.00 0.00 173.24 171.93 3k4m n TYR 355 N -1.12 -0.84 -2.29 2.43 4.02 -0.91 -4.59 117.16 113.86 3k4m n TYR 355 Ca -0.03 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.50 3k4m n TYR 355 Cb 0.65 -3.89 -0.01 0.00 -0.02 0.00 0.00 39.34 36.07 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 -3.00 3.20 0.01 -0.72 -4.36 -0.95 -4.50 121.20 110.88 3k4m s ILE 356 Ca 0.00 0.86 0.04 0.00 -0.26 0.00 0.00 60.65 61.29 3k4m s ILE 356 Cb 0.00 -3.41 -0.01 0.00 1.25 0.00 0.00 42.46 40.28 3k4m s ILE 356 CO 0.00 -0.05 -0.11 0.42 0.24 0.00 0.00 174.94 175.43 3k4m s THR 357 N -1.62 0.89 0.00 8.37 -4.23 0.17 -4.59 115.64 114.63 3k4m s THR 357 Ca 0.65 -0.63 -0.00 0.00 -1.18 0.00 0.00 61.69 60.53 3k4m s THR 357 Cb -0.26 -0.77 -0.00 0.00 1.34 0.00 0.00 72.50 72.80 3k4m s THR 357 CO 0.32 0.14 0.00 -0.70 -0.54 0.00 0.00 174.62 173.84 3k4m s GLU 358 N -0.55 0.07 0.34 3.99 2.56 -1.26 0.65 118.70 124.50 3k4m s GLU 358 Ca 0.03 -0.12 -0.26 0.00 0.00 0.00 0.00 54.97 54.62 3k4m s GLU 358 Cb -0.05 0.03 -0.10 0.00 2.00 0.00 0.00 34.13 36.01 3k4m s GLU 358 CO 0.00 -0.01 0.97 -0.65 -0.56 0.00 0.00 175.26 175.01 3k4m s GLN 359 N -0.30 4.51 0.27 4.30 -0.21 -1.26 -4.58 119.66 122.38 3k4m s GLN 359 Ca -0.03 1.38 -0.29 0.00 0.02 0.00 0.00 55.36 56.43 3k4m s GLN 359 Cb -0.02 -2.76 -0.09 0.00 1.00 0.00 0.00 33.01 31.13 3k4m s GLN 359 CO -0.00 0.20 1.23 -1.12 -2.12 0.00 0.00 175.29 173.48 3k4m s SER 360 N -1.58 6.99 -0.07 5.90 0.01 -1.23 -4.70 113.70 119.02 3k4m s SER 360 Ca 0.51 2.44 0.02 0.00 1.31 0.00 0.00 55.95 60.24 3k4m s SER 360 Cb -0.20 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.42 3k4m s SER 360 CO 0.25 -0.40 -0.13 -0.22 0.41 0.00 0.00 173.24 173.16 3k4m s LEU 361 N -1.10 1.64 0.08 2.44 2.96 -1.26 -0.69 118.68 122.74 3k4m s LEU 361 Ca 0.50 -0.32 0.09 0.00 -0.22 0.00 0.00 54.13 54.18 3k4m s LEU 361 Cb -0.36 -0.87 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 3k4m s LEU 361 CO 0.44 0.03 -0.25 0.68 -1.32 0.00 0.00 176.35 175.92 3k4m s VAL 362 N 0.74 2.07 -0.04 1.68 -7.23 -0.98 -0.50 120.40 116.15 3k4m s VAL 362 Ca -0.13 -1.50 -0.09 0.00 -1.81 0.00 0.00 61.98 58.45 3k4m s VAL 362 Cb -0.16 -1.80 0.01 0.00 0.56 0.00 0.00 36.38 34.99 3k4m s VAL 362 CO 0.03 0.21 0.21 0.12 -0.31 0.00 0.00 175.10 175.36 3k4m s PHE 363 N -0.92 -0.12 0.32 2.82 5.36 -0.41 -2.24 117.98 122.79 3k4m s PHE 363 Ca 0.11 0.26 -0.19 0.00 -0.96 0.00 0.00 56.93 56.15 3k4m s PHE 363 Cb -0.10 0.04 0.03 0.00 -0.34 0.00 0.00 43.02 42.65 3k4m s PHE 363 CO 0.03 -0.24 0.74 0.00 -1.46 0.00 0.00 175.22 174.29 3k4m s GLN 365 N -3.34 1.45 0.14 0.00 -0.21 -0.77 -0.29 119.66 116.65 3k4m s GLN 365 Ca 0.13 -1.66 0.07 0.00 0.02 0.00 0.00 55.36 53.93 3k4m s GLN 365 Cb -0.05 -1.34 -0.04 0.00 1.00 0.00 0.00 33.01 32.58 3k4m s GLN 365 CO 0.09 0.23 -0.17 0.95 -2.12 0.00 0.00 175.29 174.27 3k4m s THR 366 N -2.82 1.63 -0.20 -0.19 -4.23 0.99 -1.17 115.64 109.65 3k4m s THR 366 Ca 0.25 -1.80 -0.06 0.00 -1.18 0.00 0.00 61.69 58.90 3k4m s THR 366 Cb -0.02 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 3k4m s THR 366 CO 0.10 -0.32 0.03 -0.69 -0.54 0.00 0.00 174.62 173.19 3k4m s VAL 367 N -1.98 4.26 0.31 2.29 1.01 -0.41 -1.69 120.40 124.18 3k4m s VAL 367 Ca 0.12 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 3k4m s VAL 367 Cb -0.06 -2.93 -0.13 0.00 0.00 0.00 0.00 36.38 33.26 3k4m s VAL 367 CO 0.05 0.43 1.32 0.80 0.00 0.00 0.00 175.10 177.69 3k4m n MET 368 N 4.09 2.07 -1.76 2.72 1.56 0.18 -3.28 117.12 122.70 3k4m n MET 368 Ca -0.17 0.73 -0.38 0.00 -0.27 0.00 0.00 57.70 57.62 3k4m n MET 368 Cb 0.52 -2.33 0.06 0.00 2.15 0.00 0.00 33.22 33.62 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 -0.12 4.86 0.21 6.12 1.04 0.12 -4.81 113.70 121.13 3k4m s SER 369 Ca 0.60 2.69 -0.09 0.00 0.48 0.00 0.00 55.95 59.62 3k4m s SER 369 Cb -0.60 -2.63 0.31 0.00 0.10 0.00 0.00 66.02 63.20 3k4m s SER 369 CO 0.58 -1.84 1.70 0.74 0.98 0.00 0.00 173.24 175.41 3k4m h THR 370 N 0.91 0.64 -0.38 2.02 2.02 -1.91 -0.96 112.91 115.24 3k4m h THR 370 Ca -0.51 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 66.64 3k4m h THR 370 Cb 1.32 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 68.02 3k4m h THR 370 CO 0.55 0.05 0.04 -0.33 0.37 0.00 0.00 175.52 176.19 3k4m h GLU 371 N 0.27 0.15 -0.38 6.66 5.08 -1.97 -0.67 114.58 123.71 3k4m h GLU 371 Ca 0.32 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.56 3k4m h GLU 371 Cb 0.48 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3k4m h GLU 371 CO -0.41 0.10 -0.23 -0.07 -1.00 0.00 0.00 179.01 177.40 3k4m h LEU 372 N 0.15 0.77 -0.35 1.33 3.38 -1.72 -1.85 115.31 117.03 3k4m h LEU 372 Ca 0.18 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3k4m h LEU 372 Cb 0.24 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3k4m h LEU 372 CO -0.27 0.98 0.08 0.40 0.09 0.00 0.00 178.44 179.71 3k4m h ILE 373 N 0.66 1.23 -0.14 1.22 1.08 -0.53 -2.09 117.51 118.93 3k4m h ILE 373 Ca 0.09 -0.77 -0.04 0.00 -0.39 0.00 0.00 64.86 63.75 3k4m h ILE 373 Cb 0.73 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 35.54 3k4m h ILE 373 CO 0.06 0.26 -0.09 0.44 -0.69 0.00 0.00 178.15 178.13 3k4m h ASP 374 N 0.41 0.20 0.43 1.72 3.32 -1.08 -1.96 116.42 119.47 3k4m h ASP 374 Ca 0.11 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3k4m h ASP 374 Cb 0.31 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3k4m h ASP 374 CO 0.00 0.32 0.00 0.77 -1.72 0.00 0.00 179.24 178.62 3k4m h SER 375 N 0.21 0.00 0.81 6.45 4.64 -0.62 -1.83 113.55 123.21 3k4m h SER 375 Ca 0.05 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 3k4m h SER 375 Cb 0.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3k4m h SER 375 CO 0.02 0.00 -0.21 0.58 -0.87 0.00 0.00 176.83 176.35 3k4m h VAL 376 N 0.00 0.56 0.00 0.95 2.07 -1.20 -3.09 116.25 115.54 3k4m h VAL 376 Ca 0.00 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.50 3k4m h VAL 376 Cb 0.22 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3k4m h VAL 376 CO 0.00 0.20 -0.02 2.29 0.02 0.00 0.00 177.57 180.07 3k4m n LYS 377 N -3.43 1.43 0.11 1.57 2.85 -0.70 -4.76 118.16 115.22 3k4m n LYS 377 Ca -0.00 -2.39 0.17 0.00 -1.05 0.00 0.00 58.31 55.04 3k4m n LYS 377 Cb 0.39 -1.40 0.71 0.00 -0.65 0.00 0.00 35.03 34.09 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 0.00 0.00 0.12 -5.58 4.64 -1.45 -2.87 113.55 108.41 3k4m h SER 378 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k4m h SER 378 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3k4m h SER 378 CO 0.00 0.00 -0.16 0.47 -0.87 0.00 0.00 176.83 176.27 3k4m n ASP 379 N -4.27 1.30 -4.85 4.97 8.00 -1.26 -4.92 116.55 115.52 3k4m n ASP 379 Ca 0.05 -1.18 -0.32 0.00 0.71 0.00 0.00 54.79 54.05 3k4m n ASP 379 Cb 0.42 0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.56 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 -2.30 4.00 -0.10 -1.24 -1.94 -1.09 -4.50 119.30 112.13 3k4m s MET 380 Ca 0.29 0.79 0.01 0.00 -1.71 0.00 0.00 55.69 55.08 3k4m s MET 380 Cb 0.20 -2.30 -0.02 0.00 2.01 0.00 0.00 34.83 34.72 3k4m s MET 380 CO 0.45 -0.01 -0.15 0.99 -0.01 0.00 0.00 175.02 176.29 3k4m s THR 381 N -2.23 2.95 -0.15 2.05 2.01 0.13 -4.95 115.64 115.44 3k4m s THR 381 Ca 0.56 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.81 3k4m s THR 381 Cb -0.10 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.18 3k4m s THR 381 CO 0.22 0.55 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.02 3k4m s ILE 382 N 0.04 3.80 0.09 1.82 1.09 -1.26 -1.53 121.20 125.24 3k4m s ILE 382 Ca -0.05 -0.39 0.09 0.00 -1.10 0.00 0.00 60.65 59.19 3k4m s ILE 382 Cb -0.15 -2.65 -0.04 0.00 -1.06 0.00 0.00 42.46 38.57 3k4m s ILE 382 CO 0.04 0.50 -0.20 -0.13 -0.10 0.00 0.00 174.94 175.05 3k4m s ARG 383 N 0.32 1.82 1.13 2.79 0.52 0.14 -5.00 118.95 120.67 3k4m s ARG 383 Ca -0.05 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.03 3k4m s ARG 383 Cb -0.14 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.23 3k4m s ARG 383 CO 0.03 0.50 0.00 0.41 0.02 0.00 0.00 175.30 176.26 3k4m n GLY 384 N 1.13 -1.99 3.07 -3.53 0.00 -1.26 -1.13 105.19 101.48 3k4m n GLY 384 Ca -0.16 -1.43 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 3k4m n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k4m s THR 385 N 0.00 0.77 0.14 2.61 2.01 -1.26 -4.91 115.64 114.99 3k4m s THR 385 Ca 0.00 -0.79 -0.33 0.00 0.31 0.00 0.00 61.69 60.87 3k4m s THR 385 Cb 0.00 -0.72 -0.17 0.00 0.01 0.00 0.00 72.50 71.62 3k4m s THR 385 CO 0.00 -0.06 0.95 -2.65 -0.69 0.00 0.00 174.62 172.18 3k4m n PRO 386 N 2.10 0.54 0.00 4.92 -0.02 -1.26 -2.54 135.00 138.75 3k4m n PRO 386 Ca -0.18 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3k4m n PRO 386 Cb 0.56 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 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 1.84 3.01 3.81 -1.23 0.00 -1.26 -5.03 105.19 106.32 3k4m n GLY 387 Ca 0.17 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 3k4m n GLY 387 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3k4m s GLU 388 N 0.00 0.21 0.19 1.61 -1.05 -1.05 -4.95 118.70 113.66 3k4m s GLU 388 Ca 0.00 -0.18 -0.13 0.00 -0.15 0.00 0.00 54.97 54.52 3k4m s GLU 388 Cb 0.00 -1.77 0.20 0.00 -0.44 0.00 0.00 34.13 32.12 3k4m s GLU 388 CO 0.00 -2.74 1.72 -0.07 0.95 0.00 0.00 175.26 175.12 3k4m h LEU 389 N -1.88 0.01 -1.98 1.83 3.38 -1.96 -3.01 115.31 111.70 3k4m h LEU 389 Ca -0.45 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3k4m h LEU 389 Cb 1.27 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.14 3k4m h LEU 389 CO 0.42 0.03 0.00 0.35 0.09 0.00 0.00 178.44 179.33 3k4m n THR 390 N -5.11 0.24 -1.37 0.22 -2.24 -1.26 -4.91 114.28 99.85 3k4m n THR 390 Ca 0.06 -0.58 -0.53 0.00 -2.27 0.00 0.00 64.05 60.73 3k4m n THR 390 Cb 0.25 1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 69.50 3k4m n THR 390 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4m n TYR 391 N 1.26 1.31 -5.11 4.78 9.36 -1.14 -4.50 117.16 123.12 3k4m n TYR 391 Ca 0.17 0.48 -0.32 0.00 3.32 0.00 0.00 57.90 61.55 3k4m n TYR 391 Cb 0.57 -2.42 -0.17 0.00 -0.63 0.00 0.00 39.34 36.69 3k4m n TYR 391 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3k4m s SER 392 N 7.13 3.12 -0.13 2.98 0.15 -0.28 -5.00 113.70 121.68 3k4m s SER 392 Ca 1.16 -0.56 -0.01 0.00 0.70 0.00 0.00 55.95 57.24 3k4m s SER 392 Cb -1.13 -1.42 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 3k4m s SER 392 CO 0.55 0.15 -0.09 -0.69 1.20 0.00 0.00 173.24 174.36 3k4m s VAL 393 N 0.43 3.45 0.07 4.45 1.01 -1.26 -0.68 120.40 127.87 3k4m s VAL 393 Ca -0.17 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 3k4m s VAL 393 Cb -0.17 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 3k4m s VAL 393 CO 0.07 0.52 0.13 0.42 0.00 0.00 0.00 175.10 176.23 3k4m s THR 394 N 0.22 0.16 0.06 3.92 -4.23 -0.58 -4.96 115.64 110.23 3k4m s THR 394 Ca -0.06 -1.29 0.02 0.00 -1.18 0.00 0.00 61.69 59.18 3k4m s THR 394 Cb -0.15 -1.29 -0.03 0.00 1.34 0.00 0.00 72.50 72.38 3k4m s THR 394 CO 0.04 -0.71 -0.08 -0.72 -0.54 0.00 0.00 174.62 172.61 3k4m s TYR 395 N -3.60 0.74 -0.52 3.99 1.13 -1.26 0.18 117.35 118.00 3k4m s TYR 395 Ca 0.03 -0.60 -0.23 0.00 -1.41 0.00 0.00 57.07 54.86 3k4m s TYR 395 Cb 0.04 -0.44 0.04 0.00 -1.10 0.00 0.00 41.96 40.50 3k4m s TYR 395 CO -0.09 -0.09 0.86 0.99 -2.51 0.00 0.00 175.55 174.70 3k4m s THR 396 N -1.94 4.52 0.05 -3.49 2.01 -1.26 -5.04 115.64 110.49 3k4m s THR 396 Ca -0.04 0.18 -0.31 0.00 0.31 0.00 0.00 61.69 61.83 3k4m s THR 396 Cb -0.06 -4.46 -0.08 0.00 0.01 0.00 0.00 72.50 67.92 3k4m s THR 396 CO -0.01 -0.98 1.59 -2.84 -0.69 0.00 0.00 174.62 171.69 3k4m s PRO 397 N 3.60 4.22 0.00 4.92 0.02 -1.26 -1.82 135.00 144.68 3k4m s PRO 397 Ca 0.28 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.54 3k4m s PRO 397 Cb -0.14 -3.59 0.00 0.00 0.02 0.00 0.00 34.50 30.80 3k4m s PRO 397 CO 0.19 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 3k4m n GLY 398 N 3.90 2.99 3.66 0.52 0.00 -1.26 -5.03 105.19 109.98 3k4m n GLY 398 Ca 0.15 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.60 3k4m n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m n ALA 399 N -1.37 -0.91 0.22 4.61 0.00 -0.75 -4.78 120.51 117.53 3k4m n ALA 399 Ca 0.00 0.46 0.10 0.00 0.00 0.00 0.00 53.44 54.01 3k4m n ALA 399 Cb 0.00 -2.10 0.66 0.00 0.00 0.00 0.00 19.45 18.02 3k4m n ALA 399 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k4m h SER 400 N 5.70 0.00 -0.10 0.00 4.64 -1.95 -2.40 113.55 119.43 3k4m h SER 400 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3k4m h SER 400 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3k4m h SER 400 CO 0.88 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.19 3k4m n THR 401 N -4.47 0.12 -1.88 2.95 -2.24 -1.26 -4.86 114.28 102.64 3k4m n THR 401 Ca -0.01 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.05 3k4m n THR 401 Cb 0.17 0.46 -0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 -1.76 6.30 0.00 3.42 -0.87 -0.91 -4.96 114.94 116.16 3k4m s ASN 402 Ca 0.35 2.92 0.22 0.00 -1.57 0.00 0.00 52.86 54.78 3k4m s ASN 402 Cb 0.19 -2.66 -0.04 0.00 -0.02 0.00 0.00 41.25 38.72 3k4m s ASN 402 CO 0.30 -0.89 1.04 0.29 -2.57 0.00 0.00 177.10 175.26 3k4m n LYS 403 N 0.33 0.27 -4.43 -0.60 5.02 -1.26 -4.95 118.16 112.53 3k4m n LYS 403 Ca 0.02 -0.21 -0.21 0.00 -2.02 0.00 0.00 58.31 55.88 3k4m n LYS 403 Cb 0.41 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 3k4m n LYS 403 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3k4m s HIS 404 N -2.88 1.96 0.48 2.13 3.76 -1.26 -5.13 115.29 114.35 3k4m s HIS 404 Ca 0.11 -0.75 -0.21 0.00 -0.15 0.00 0.00 55.06 54.06 3k4m s HIS 404 Cb 0.17 -1.16 -0.08 0.00 1.11 0.00 0.00 32.58 32.62 3k4m s HIS 404 CO 0.77 0.23 1.06 -2.14 -0.85 0.00 0.00 174.74 173.82 3k4m s PRO 405 N -3.76 3.77 0.55 8.40 0.02 -1.26 -4.87 135.00 137.85 3k4m s PRO 405 Ca 0.31 1.45 0.30 0.00 0.02 0.00 0.00 61.00 63.07 3k4m s PRO 405 Cb 0.05 -2.16 1.46 0.00 0.02 0.00 0.00 34.50 33.87 3k4m s PRO 405 CO 0.13 -0.47 1.91 -0.44 -0.33 0.00 0.00 177.00 177.80 3k4m h ASP 406 N 1.65 0.00 1.05 2.53 3.32 -1.99 0.12 116.42 123.10 3k4m h ASP 406 Ca -0.49 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.38 3k4m h ASP 406 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 3k4m h ASP 406 CO 0.59 0.00 -0.81 4.11 -1.72 0.00 0.00 179.24 181.41 3k4m h TRP 407 N 0.00 0.00 -0.12 4.55 5.08 -1.99 0.03 115.95 123.50 3k4m h TRP 407 Ca 0.34 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 60.26 3k4m h TRP 407 Cb 1.45 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.60 3k4m h TRP 407 CO 0.00 0.81 -0.13 2.35 -1.28 0.00 0.00 178.44 180.19 3k4m h TRP 408 N 0.00 0.36 -0.27 0.12 2.91 -1.16 -2.81 115.95 115.10 3k4m h TRP 408 Ca -0.01 -0.11 -0.16 0.00 1.13 0.00 0.00 58.89 59.74 3k4m h TRP 408 Cb 1.56 -0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 30.13 3k4m h TRP 408 CO 0.00 0.72 -0.45 -0.91 -1.03 0.00 0.00 178.44 176.77 3k4m h ASN 409 N -0.10 0.87 -0.35 2.65 2.35 -1.24 -0.87 115.58 118.90 3k4m h ASN 409 Ca 0.02 -0.52 0.07 0.00 -0.55 0.00 0.00 56.30 55.31 3k4m h ASN 409 Cb 0.66 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.72 3k4m h ASN 409 CO 0.03 1.23 -0.09 -0.08 -1.65 0.00 0.00 177.43 176.87 3k4m h GLU 410 N 0.54 0.00 -0.52 0.81 4.57 -1.06 0.35 114.58 119.27 3k4m h GLU 410 Ca 0.02 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 3k4m h GLU 410 Cb 1.06 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.62 3k4m h GLU 410 CO 0.10 0.00 0.02 0.87 -1.18 0.00 0.00 179.01 178.82 3k4m h LYS 411 N 0.00 0.86 0.40 1.92 1.57 -1.27 -1.23 116.57 118.84 3k4m h LYS 411 Ca 0.17 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3k4m h LYS 411 Cb 0.26 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3k4m h LYS 411 CO -0.36 0.85 -0.19 0.28 -0.57 0.00 0.00 179.45 179.46 3k4m h VAL 412 N 0.81 0.55 -1.01 0.50 2.07 -0.24 -2.03 116.25 116.89 3k4m h VAL 412 Ca 0.16 -0.45 0.25 0.00 0.82 0.00 0.00 66.70 67.48 3k4m h VAL 412 Cb 0.45 0.75 -0.12 0.00 -1.52 0.00 0.00 31.29 30.85 3k4m h VAL 412 CO 0.02 0.08 0.61 0.50 0.02 0.00 0.00 177.57 178.79 3k4m h LYS 413 N -0.82 0.52 0.02 1.57 3.64 -0.23 -1.22 116.57 120.04 3k4m h LYS 413 Ca -0.06 -0.03 -0.25 0.00 -1.27 0.00 0.00 60.65 59.04 3k4m h LYS 413 Cb 0.54 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3k4m h LYS 413 CO 0.09 0.35 -1.02 -0.91 -2.27 0.00 0.00 179.45 175.68 3k4m h ASN 414 N 0.54 0.70 -0.19 4.20 2.35 -1.14 -1.38 115.58 120.66 3k4m h ASN 414 Ca 0.65 -0.58 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3k4m h ASN 414 Cb 1.30 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 3k4m h ASN 414 CO -0.46 1.38 0.09 -0.74 -1.65 0.00 0.00 177.43 176.06 3k4m h HIS 415 N 0.29 0.27 0.00 1.19 -0.00 -0.57 0.61 115.15 116.94 3k4m h HIS 415 Ca -0.11 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.18 3k4m h HIS 415 Cb 1.67 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.99 3k4m h HIS 415 CO 0.08 0.28 -0.30 0.52 -0.00 0.00 0.00 177.93 178.51 3k4m h MET 416 N 0.18 0.00 0.22 5.26 2.86 -1.26 0.24 114.93 122.43 3k4m h MET 416 Ca 0.06 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.37 3k4m h MET 416 Cb 0.11 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.79 3k4m h MET 416 CO -0.01 0.30 -1.58 0.52 1.06 0.00 0.00 176.91 177.20 3k4m h MET 417 N 0.00 0.46 0.00 1.72 2.07 -1.09 -3.33 114.93 114.76 3k4m h MET 417 Ca -0.00 -0.79 -0.09 0.00 -2.07 0.00 0.00 59.70 56.75 3k4m h MET 417 Cb 0.55 0.29 -0.01 0.00 -1.87 0.00 0.00 31.60 30.56 3k4m h MET 417 CO 0.04 1.37 -0.42 1.96 1.07 0.00 0.00 176.91 180.93 3k4m h GLN 418 N 0.13 0.00 -2.24 1.72 4.20 -0.70 -3.38 115.11 114.84 3k4m h GLN 418 Ca -0.28 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.84 3k4m h GLN 418 Cb 2.13 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 29.52 3k4m h GLN 418 CO 0.23 0.42 -0.94 0.72 -0.67 0.00 0.00 178.83 178.60 3k4m n HIS 419 N -3.41 0.46 1.93 2.96 8.25 0.83 -4.91 115.22 121.33 3k4m n HIS 419 Ca 0.01 -3.65 0.10 0.00 -0.26 0.00 0.00 57.72 53.91 3k4m n HIS 419 Cb 0.59 -0.23 0.56 0.00 1.12 0.00 0.00 29.99 32.02 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 1.78 1.07 0.09 -0.41 6.02 -1.25 -1.69 117.38 122.98 3k4m n GLN 420 Ca 0.25 -0.10 0.12 0.00 -0.01 0.00 0.00 57.00 57.26 3k4m n GLN 420 Cb 0.48 -1.31 0.13 0.00 1.02 0.00 0.00 30.24 30.56 3k4m n GLN 420 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 3k4m h GLU 421 N 0.20 0.00 -5.76 -1.09 9.09 -1.91 -3.41 114.58 111.71 3k4m h GLU 421 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 58.80 3k4m h GLU 421 Cb 0.04 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.07 3k4m h GLU 421 CO 0.00 0.00 -0.28 0.34 0.05 0.00 0.00 179.01 179.12 3k4m s ASP 422 N -4.72 6.61 0.00 3.06 2.15 -0.68 -4.99 116.67 118.11 3k4m s ASP 422 Ca 0.05 0.72 0.28 0.00 0.43 0.00 0.00 52.55 54.03 3k4m s ASP 422 Cb 0.12 -2.21 1.14 0.00 -0.30 0.00 0.00 42.92 41.67 3k4m s ASP 422 CO 0.73 0.23 1.80 -0.81 -0.17 0.00 0.00 175.17 176.95 3k4m n PRO 423 N 2.63 1.07 -4.31 4.34 -0.04 -1.26 -4.84 135.00 132.58 3k4m n PRO 423 Ca -0.13 -0.50 -0.30 0.00 -0.04 0.00 0.00 63.50 62.53 3k4m n PRO 423 Cb 0.52 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.28 2.90 0.00 1.53 1.43 -1.26 -5.03 118.68 115.97 3k4m s LEU 424 Ca 0.33 -0.43 0.23 0.00 -1.03 0.00 0.00 54.13 53.23 3k4m s LEU 424 Cb 0.20 -1.71 0.13 0.00 0.03 0.00 0.00 46.19 44.84 3k4m s LEU 424 CO 0.43 0.19 1.16 -0.81 0.23 0.00 0.00 176.35 177.55 3k4m n PRO 425 N 0.86 0.65 -2.59 1.29 -0.04 -1.26 -4.85 135.00 129.06 3k4m n PRO 425 Ca -0.14 -0.50 -0.42 0.00 -0.04 0.00 0.00 63.50 62.39 3k4m n PRO 425 Cb 0.52 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.70 4.52 0.54 0.52 1.01 -1.26 -4.69 121.20 119.13 3k4m s ILE 426 Ca 0.16 1.81 -0.22 0.00 0.00 0.00 0.00 60.65 62.39 3k4m s ILE 426 Cb 0.18 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 3k4m s ILE 426 CO 0.66 0.13 1.34 -2.84 0.00 0.00 0.00 174.94 174.23 3k4m s PRO 427 N 1.14 3.21 0.44 2.79 0.02 -1.26 -4.91 135.00 136.43 3k4m s PRO 427 Ca 0.55 2.20 0.11 0.00 0.02 0.00 0.00 61.00 63.88 3k4m s PRO 427 Cb -0.24 -2.28 1.00 0.00 0.02 0.00 0.00 34.50 32.99 3k4m s PRO 427 CO 0.28 -1.12 2.05 0.74 -0.33 0.00 0.00 177.00 178.61 3k4m h PHE 428 N 1.54 0.39 -0.42 6.54 0.04 -1.97 -2.79 116.94 120.26 3k4m h PHE 428 Ca -0.51 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.27 3k4m h PHE 428 Cb 1.29 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 39.31 3k4m h PHE 428 CO 0.47 0.22 0.00 0.39 -0.60 0.00 0.00 178.31 178.79 3k4m n GLU 429 N -4.48 3.91 -2.14 1.51 -0.58 -1.26 -4.98 120.64 112.62 3k4m n GLU 429 Ca 0.04 -3.01 -0.42 0.00 -0.42 0.00 0.00 57.16 53.35 3k4m n GLU 429 Cb 0.18 -2.06 -0.03 0.00 -0.57 0.00 0.00 31.44 28.96 3k4m n GLU 429 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3k4m s ASP 430 N -1.37 6.79 0.91 1.62 2.15 -1.06 -4.87 116.67 120.84 3k4m s ASP 430 Ca 0.49 2.29 -0.11 0.00 0.43 0.00 0.00 52.55 55.65 3k4m s ASP 430 Cb 0.38 -2.57 0.14 0.00 -0.30 0.00 0.00 42.92 40.56 3k4m s ASP 430 CO 0.12 -0.72 1.09 -2.84 -0.17 0.00 0.00 175.17 172.66 3k4m s PRO 431 N 1.77 1.16 0.58 4.34 0.02 -1.26 -4.98 135.00 136.63 3k4m s PRO 431 Ca 0.66 0.86 -0.19 0.00 0.02 0.00 0.00 61.00 62.35 3k4m s PRO 431 Cb -0.36 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 3k4m s PRO 431 CO 0.29 -2.32 1.21 -1.21 -0.33 0.00 0.00 177.00 174.65 3k4m s GLU 432 N -4.90 3.04 0.56 5.54 8.01 -1.26 -4.52 118.70 125.17 3k4m s GLU 432 Ca 0.64 1.84 -0.21 0.00 0.01 0.00 0.00 54.97 57.25 3k4m s GLU 432 Cb -0.18 -1.98 -0.04 0.00 -4.31 0.00 0.00 34.13 27.61 3k4m s GLU 432 CO 0.57 -1.16 1.34 -1.25 0.01 0.00 0.00 175.26 174.78 3k4m s PRO 433 N -3.27 3.08 -0.44 0.39 0.04 -1.26 -4.57 135.00 128.97 3k4m s PRO 433 Ca 0.76 2.19 0.07 0.00 0.04 0.00 0.00 61.00 64.06 3k4m s PRO 433 Cb -0.31 -2.20 0.23 0.00 0.04 0.00 0.00 34.50 32.27 3k4m s PRO 433 CO 0.34 -1.22 0.65 1.04 0.04 0.00 0.00 177.00 177.84 3k4m n GLN 434 N -1.14 0.67 -4.36 4.56 1.13 -1.25 -3.06 117.38 113.92 3k4m n GLN 434 Ca 0.11 -2.60 -0.31 0.00 -1.94 0.00 0.00 57.00 52.27 3k4m n GLN 434 Cb 0.46 -1.37 -0.10 0.00 0.11 0.00 0.00 30.24 29.33 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 -0.23 3.41 -0.09 5.09 1.01 -0.27 -1.34 120.40 127.98 3k4m s VAL 435 Ca 0.33 -1.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 3k4m s VAL 435 Cb 0.16 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 34.04 3k4m s VAL 435 CO -0.16 0.24 0.38 0.28 0.00 0.00 0.00 175.10 175.83 3k4m s THR 436 N -1.11 0.02 -0.20 3.92 -1.32 -0.70 -1.06 115.64 115.21 3k4m s THR 436 Ca 0.19 -0.19 -0.04 0.00 -1.21 0.00 0.00 61.69 60.45 3k4m s THR 436 Cb -0.11 -0.60 -0.02 0.00 -1.51 0.00 0.00 72.50 70.26 3k4m s THR 436 CO 0.11 -0.10 -0.04 0.28 -2.21 0.00 0.00 174.62 172.65 3k4m s THR 437 N -0.48 3.55 0.75 5.08 -1.32 -1.26 -1.69 115.64 120.27 3k4m s THR 437 Ca -0.06 -0.45 -0.11 0.00 -1.21 0.00 0.00 61.69 59.86 3k4m s THR 437 Cb -0.04 -2.59 0.04 0.00 -1.51 0.00 0.00 72.50 68.41 3k4m s THR 437 CO 0.03 0.44 1.09 -0.76 -2.21 0.00 0.00 174.62 173.21 3k4m s LEU 438 N 1.08 2.79 0.20 9.08 1.43 -1.26 -3.77 118.68 128.22 3k4m s LEU 438 Ca 0.01 1.31 -0.33 0.00 -1.03 0.00 0.00 54.13 54.10 3k4m s LEU 438 Cb -0.15 -4.03 -0.14 0.00 0.03 0.00 0.00 46.19 41.90 3k4m s LEU 438 CO 0.00 -1.67 1.46 0.33 0.23 0.00 0.00 176.35 176.70 3k4m n PHE 439 N -3.24 2.15 -3.99 0.29 -0.00 -1.22 -4.91 117.46 106.53 3k4m n PHE 439 Ca 0.07 0.39 -0.08 0.00 -0.00 0.00 0.00 57.45 57.82 3k4m n PHE 439 Cb 0.56 -2.48 -0.09 0.00 -0.00 0.00 0.00 39.48 37.46 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 0.16 0.60 0.41 -4.13 -1.52 -1.06 -4.92 119.66 109.21 3k4m s GLN 440 Ca 0.73 -0.96 0.16 0.00 -1.95 0.00 0.00 55.36 53.34 3k4m s GLN 440 Cb -0.68 0.23 1.03 0.00 -0.22 0.00 0.00 33.01 33.37 3k4m s GLN 440 CO 0.45 -0.14 1.88 -1.35 -0.25 0.00 0.00 175.29 175.88 3k4m h PRO 441 N 3.43 0.44 0.00 2.91 0.11 -1.98 0.12 132.00 137.02 3k4m h PRO 441 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3k4m h PRO 441 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3k4m h PRO 441 CO 0.57 0.29 -0.06 -1.13 -0.21 0.00 0.00 178.00 177.45 3k4m n SER 442 N -4.50 0.83 -3.20 -2.05 3.41 -1.26 -4.26 113.62 102.57 3k4m n SER 442 Ca 0.17 0.53 -0.22 0.00 -0.26 0.00 0.00 58.87 59.09 3k4m n SER 442 Cb 0.60 -0.71 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 3k4m n SER 442 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k4m n HIS 443 N -2.27 -1.11 -1.24 7.33 1.44 -0.10 -5.05 115.22 114.22 3k4m n HIS 443 Ca 0.05 -3.14 -0.37 0.00 -2.01 0.00 0.00 57.72 52.25 3k4m n HIS 443 Cb 0.43 0.20 -0.03 0.00 0.12 0.00 0.00 29.99 30.71 3k4m n HIS 443 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3k4m n PRO 444 N 2.13 2.53 -3.62 -1.40 -0.04 -0.43 -2.57 135.00 131.60 3k4m n PRO 444 Ca 0.24 -2.04 -0.16 0.00 -0.04 0.00 0.00 63.50 61.50 3k4m n PRO 444 Cb 0.52 -2.88 -0.07 0.00 -0.04 0.00 0.00 33.50 31.03 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 3.46 -0.48 0.32 0.54 -2.14 -1.26 -4.40 118.94 114.97 3k4m s TRP 445 Ca 0.53 0.82 -0.22 0.00 2.66 0.00 0.00 56.10 59.89 3k4m s TRP 445 Cb 0.14 0.29 -0.10 0.00 -3.10 0.00 0.00 33.47 30.70 3k4m s TRP 445 CO -0.02 -0.52 0.87 -1.58 -2.66 0.00 0.00 176.95 173.04 3k4m s HIS 446 N -1.19 3.56 0.04 1.66 5.65 0.07 -3.44 115.29 121.65 3k4m s HIS 446 Ca -0.12 1.58 0.08 0.00 0.25 0.00 0.00 55.06 56.86 3k4m s HIS 446 Cb -0.02 -2.79 -0.03 0.00 -1.18 0.00 0.00 32.58 28.56 3k4m s HIS 446 CO 0.08 0.16 -0.24 0.95 -0.65 0.00 0.00 174.74 175.04 3k4m s THR 447 N -1.76 1.91 -0.03 0.89 -4.23 -1.25 0.56 115.64 111.73 3k4m s THR 447 Ca 0.51 -1.28 -0.01 0.00 -1.18 0.00 0.00 61.69 59.74 3k4m s THR 447 Cb -0.15 -1.64 0.03 0.00 1.34 0.00 0.00 72.50 72.07 3k4m s THR 447 CO 0.20 0.31 0.03 -1.10 -0.54 0.00 0.00 174.62 173.52 3k4m s GLN 448 N -1.16 0.08 -0.36 3.99 -0.21 0.13 -4.47 119.66 117.65 3k4m s GLN 448 Ca 0.10 0.23 0.01 0.00 0.02 0.00 0.00 55.36 55.72 3k4m s GLN 448 Cb -0.09 -0.47 0.11 0.00 1.00 0.00 0.00 33.01 33.56 3k4m s GLN 448 CO 0.02 -0.24 0.13 0.42 -2.12 0.00 0.00 175.29 173.50 3k4m s ILE 449 N 1.57 1.33 0.00 1.08 1.01 -0.22 -0.28 121.20 125.69 3k4m s ILE 449 Ca -0.03 -1.95 0.00 0.00 0.00 0.00 0.00 60.65 58.67 3k4m s ILE 449 Cb -0.13 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.36 3k4m s ILE 449 CO -0.03 -0.73 0.00 0.00 0.00 0.00 0.00 174.94 174.18 3k4m n HIS 450 N 4.32 -0.33 -3.77 3.97 1.44 0.13 -1.11 115.22 119.88 3k4m n HIS 450 Ca 0.02 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.59 3k4m n HIS 450 Cb 0.40 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.36 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 -0.55 0.04 0.12 -1.40 1.81 -1.17 0.34 118.95 118.14 3k4m s ARG 451 Ca 0.00 0.26 0.08 0.00 -1.72 0.00 0.00 55.73 54.35 3k4m s ARG 451 Cb 0.00 -0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.28 3k4m s ARG 451 CO 0.00 -0.15 -0.19 0.34 -0.68 0.00 0.00 175.30 174.62 3k4m s ASP 452 N 1.00 2.47 0.13 0.23 -1.08 -1.26 -4.99 116.67 113.17 3k4m s ASP 452 Ca -0.08 -0.74 -0.33 0.00 -0.52 0.00 0.00 52.55 50.88 3k4m s ASP 452 Cb -0.11 -0.13 -0.18 0.00 -1.46 0.00 0.00 42.92 41.04 3k4m s ASP 452 CO -0.04 0.01 0.90 0.00 0.52 0.00 0.00 175.17 176.56 3k4m n ALA 453 N 0.85 -2.47 -2.75 3.66 0.00 -1.26 -4.93 120.51 113.61 3k4m n ALA 453 Ca -0.18 0.50 -0.17 0.00 0.00 0.00 0.00 53.44 53.60 3k4m n ALA 453 Cb 0.55 -1.79 -0.13 0.00 0.00 0.00 0.00 19.45 18.08 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 -0.43 0.91 -0.35 0.00 5.36 -1.26 -4.85 117.98 117.35 3k4m s PHE 454 Ca 0.76 -0.39 -0.15 0.00 -0.96 0.00 0.00 56.93 56.19 3k4m s PHE 454 Cb -1.02 -0.54 -0.01 0.00 -0.34 0.00 0.00 43.02 41.12 3k4m s PHE 454 CO 0.55 -0.01 0.35 -1.54 -1.46 0.00 0.00 175.22 173.12 3k4m s SER 455 N -1.26 6.17 0.20 6.13 1.04 -1.26 -4.74 113.70 119.97 3k4m s SER 455 Ca -0.03 -0.31 -0.30 0.00 0.48 0.00 0.00 55.95 55.79 3k4m s SER 455 Cb -0.08 -2.19 -0.08 0.00 0.10 0.00 0.00 66.02 63.77 3k4m s SER 455 CO 0.01 -0.35 0.95 0.26 0.98 0.00 0.00 173.24 175.09 3k4m s TRP 456 N 1.99 3.92 0.82 5.02 0.52 -1.26 -5.05 118.94 124.89 3k4m s TRP 456 Ca 0.11 1.87 -0.12 0.00 0.02 0.00 0.00 56.10 57.98 3k4m s TRP 456 Cb -0.17 -3.02 0.09 0.00 -1.15 0.00 0.00 33.47 29.22 3k4m s TRP 456 CO 0.12 0.33 1.14 0.20 0.02 0.00 0.00 176.95 178.76 3k4m s GLY 457 N -0.77 1.85 0.43 0.98 0.00 -1.26 -4.88 107.32 103.67 3k4m s GLY 457 Ca 0.43 0.55 0.16 0.00 0.00 0.00 0.00 44.72 45.86 3k4m s GLY 457 CO 0.32 0.94 1.93 0.00 0.00 0.00 0.00 173.10 176.28 3k4m h ALA 458 N -1.20 1.47 -0.17 3.20 0.00 -1.99 -2.07 119.26 118.51 3k4m h ALA 458 Ca -0.44 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.07 3k4m h ALA 458 Cb 1.26 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3k4m h ALA 458 CO 0.47 0.32 -0.60 0.28 0.00 0.00 0.00 179.25 179.72 3k4m h VAL 459 N 0.00 1.33 0.00 0.00 2.07 -1.99 -2.88 116.25 114.77 3k4m h VAL 459 Ca -0.00 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.65 3k4m h VAL 459 Cb 0.48 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3k4m h VAL 459 CO 0.03 0.58 0.00 1.56 0.02 0.00 0.00 177.57 179.76 3k4m h GLN 460 N 0.42 0.00 0.00 1.57 4.20 -1.79 -2.78 115.11 116.73 3k4m h GLN 460 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3k4m h GLN 460 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 3k4m h GLN 460 CO 0.11 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.31 3k4m n GLN 461 N -2.68 0.01 0.21 1.46 6.02 -0.80 -2.70 117.38 118.89 3k4m n GLN 461 Ca 0.03 0.16 0.09 0.00 -0.01 0.00 0.00 57.00 57.27 3k4m n GLN 461 Cb 0.36 -1.50 0.41 0.00 1.02 0.00 0.00 30.24 30.53 3k4m n GLN 461 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k4m h SER 462 N 0.00 0.00 -3.37 1.08 0.87 -1.52 -3.43 113.55 107.18 3k4m h SER 462 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 3k4m h SER 462 Cb 0.34 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.25 3k4m h SER 462 CO 0.00 0.25 0.20 -0.63 -0.53 0.00 0.00 176.83 176.12 3k4m s ILE 463 N -3.59 4.98 0.08 2.23 -1.09 -1.10 -4.98 121.20 117.73 3k4m s ILE 463 Ca 0.01 1.63 -0.34 0.00 -2.23 0.00 0.00 60.65 59.72 3k4m s ILE 463 Cb 0.10 -4.13 -0.13 0.00 -1.58 0.00 0.00 42.46 36.72 3k4m s ILE 463 CO 0.65 0.20 1.65 -0.67 -1.23 0.00 0.00 174.94 175.53 3k4m n ASP 464 N 4.01 3.08 -0.32 3.58 -0.08 -1.26 -4.86 116.55 120.70 3k4m n ASP 464 Ca 0.01 1.05 0.19 0.00 -1.51 0.00 0.00 54.79 54.53 3k4m n ASP 464 Cb 0.51 -1.39 0.38 0.00 2.34 0.00 0.00 41.12 42.96 3k4m n ASP 464 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 3k4m h SER 465 N 6.77 0.21 0.35 1.67 0.87 -1.92 -2.36 113.55 119.14 3k4m h SER 465 Ca -0.46 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 3k4m h SER 465 Cb 1.27 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 3k4m h SER 465 CO 0.90 -0.17 0.00 0.54 -0.53 0.00 0.00 176.83 177.57 3k4m n ARG 466 N -5.17 0.01 0.07 2.24 1.74 -1.26 -1.93 116.66 112.36 3k4m n ARG 466 Ca 0.27 0.34 0.12 0.00 -0.77 0.00 0.00 57.85 57.80 3k4m n ARG 466 Cb 0.84 -1.52 0.04 0.00 -1.02 0.00 0.00 32.46 30.81 3k4m n ARG 466 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k4m n LEU 467 N -1.53 0.73 -4.85 0.55 4.77 -0.89 -4.94 117.00 110.84 3k4m n LEU 467 Ca 0.02 0.22 -0.37 0.00 -0.03 0.00 0.00 56.01 55.86 3k4m n LEU 467 Cb 0.12 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 3k4m n LEU 467 CO 0.09 -0.10 0.04 -0.63 -1.33 0.00 0.00 177.39 175.46 3k4m s ILE 468 N -3.29 5.15 -0.02 -0.08 1.01 -0.81 0.47 121.20 123.64 3k4m s ILE 468 Ca 0.02 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.26 3k4m s ILE 468 Cb 0.12 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.97 3k4m s ILE 468 CO 0.78 0.51 -0.00 -0.69 0.00 0.00 0.00 174.94 175.53 3k4m s VAL 469 N -1.15 0.14 0.12 2.92 1.01 -0.69 -4.95 120.40 117.80 3k4m s VAL 469 Ca 0.24 0.04 -0.26 0.00 0.00 0.00 0.00 61.98 62.00 3k4m s VAL 469 Cb -0.15 -0.20 -0.07 0.00 0.00 0.00 0.00 36.38 35.96 3k4m s VAL 469 CO 0.13 0.10 0.81 -1.81 0.00 0.00 0.00 175.10 174.33 3k4m s ASP 470 N 0.64 7.36 -0.15 3.32 1.01 0.15 -0.01 116.67 129.00 3k4m s ASP 470 Ca -0.06 1.62 0.01 0.00 0.71 0.00 0.00 52.55 54.83 3k4m s ASP 470 Cb -0.09 -2.51 0.01 0.00 1.01 0.00 0.00 42.92 41.34 3k4m s ASP 470 CO -0.01 0.10 -0.19 0.26 0.21 0.00 0.00 175.17 175.53 3k4m s TRP 471 N -0.58 2.72 -0.10 4.23 0.52 0.60 0.22 118.94 126.56 3k4m s TRP 471 Ca 0.39 -1.25 -0.02 0.00 0.02 0.00 0.00 56.10 55.23 3k4m s TRP 471 Cb -0.22 -1.85 0.04 0.00 -1.15 0.00 0.00 33.47 30.28 3k4m s TRP 471 CO 0.26 -0.57 0.04 1.03 0.02 0.00 0.00 176.95 177.73 3k4m s ARG 472 N 0.86 0.28 -0.19 4.98 0.52 0.61 -1.68 118.95 124.32 3k4m s ARG 472 Ca -0.05 0.09 -0.03 0.00 -0.52 0.00 0.00 55.73 55.22 3k4m s ARG 472 Cb -0.15 -1.15 -0.01 0.00 0.52 0.00 0.00 34.95 34.16 3k4m s ARG 472 CO -0.02 -0.43 -0.07 -0.06 0.02 0.00 0.00 175.30 174.74 3k4m s PHE 473 N 2.06 2.93 -0.27 -0.53 0.40 -0.95 0.17 117.98 121.78 3k4m s PHE 473 Ca 0.04 -0.85 -0.07 0.00 -0.60 0.00 0.00 56.93 55.45 3k4m s PHE 473 Cb -0.14 -2.03 -0.00 0.00 0.51 0.00 0.00 43.02 41.36 3k4m s PHE 473 CO -0.06 -0.45 0.07 -0.06 0.70 0.00 0.00 175.22 175.43 3k4m s PHE 474 N 1.14 3.11 0.54 0.36 0.40 0.19 -2.33 117.98 121.39 3k4m s PHE 474 Ca 0.02 -0.79 -0.07 0.00 -0.60 0.00 0.00 56.93 55.48 3k4m s PHE 474 Cb -0.14 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 3k4m s PHE 474 CO -0.01 -0.51 0.88 0.20 0.70 0.00 0.00 175.22 176.48 3k4m s GLY 475 N 1.54 1.56 0.02 4.36 0.00 0.13 -0.75 107.32 114.17 3k4m s GLY 475 Ca 0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 44.72 44.40 3k4m s GLY 475 CO 0.02 -0.16 0.12 1.09 0.00 0.00 0.00 173.10 174.17 3k4m s ARG 476 N -4.91 3.15 -0.16 2.90 1.70 -1.26 -3.51 118.95 116.85 3k4m s ARG 476 Ca 0.50 -0.49 0.02 0.00 -0.47 0.00 0.00 55.73 55.29 3k4m s ARG 476 Cb -0.11 -2.90 0.01 0.00 -0.57 0.00 0.00 34.95 31.38 3k4m s ARG 476 CO 0.48 0.63 -0.20 0.99 -1.08 0.00 0.00 175.30 176.13 3k4m s THR 477 N -1.29 2.19 -0.23 4.99 2.01 -1.26 -4.75 115.64 117.29 3k4m s THR 477 Ca 0.26 -0.92 -0.36 0.00 0.31 0.00 0.00 61.69 60.98 3k4m s THR 477 Cb -0.12 -1.90 -0.12 0.00 0.01 0.00 0.00 72.50 70.36 3k4m s THR 477 CO 0.18 0.54 1.97 -0.62 -0.69 0.00 0.00 174.62 176.00 3k4m n GLU 478 N 4.25 1.53 -1.66 4.92 1.02 -1.26 -4.16 120.64 125.28 3k4m n GLU 478 Ca -0.20 0.52 -0.46 0.00 -0.02 0.00 0.00 57.16 57.00 3k4m n GLU 478 Cb 0.51 -2.47 -0.04 0.00 -0.02 0.00 0.00 31.44 29.42 3k4m n GLU 478 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3k4m n PRO 479 N 6.97 2.36 -4.83 3.49 -0.02 -1.26 -4.79 135.00 136.92 3k4m n PRO 479 Ca 0.30 0.85 -0.25 0.00 -2.02 0.00 0.00 63.50 62.38 3k4m n PRO 479 Cb 0.24 -2.81 -0.15 0.00 -0.02 0.00 0.00 33.50 30.75 3k4m n PRO 479 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3k4m s LYS 480 N 4.48 1.47 0.38 -0.52 -0.14 -1.26 -4.97 119.74 119.18 3k4m s LYS 480 Ca 0.93 -0.62 0.05 0.00 -1.36 0.00 0.00 55.97 54.98 3k4m s LYS 480 Cb -0.58 -1.39 0.74 0.00 -1.68 0.00 0.00 37.83 34.92 3k4m s LYS 480 CO 0.47 0.35 1.99 1.49 -0.76 0.00 0.00 175.35 178.89 3k4m h GLU 481 N 5.82 0.57 0.00 1.68 4.81 -1.93 -1.88 114.58 123.65 3k4m h GLU 481 Ca -0.36 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3k4m h GLU 481 Cb 1.15 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3k4m h GLU 481 CO 0.48 0.45 0.00 -0.85 -0.73 0.00 0.00 179.01 178.36 3k4m n GLU 482 N -4.41 0.19 -2.62 1.92 0.00 -1.26 -3.83 120.64 110.64 3k4m n GLU 482 Ca 0.03 0.37 -0.43 0.00 0.00 0.00 0.00 57.16 57.14 3k4m n GLU 482 Cb 0.12 -1.83 -0.02 0.00 0.00 0.00 0.00 31.44 29.70 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 -4.19 6.57 0.07 -1.84 0.01 -0.76 -4.79 114.94 110.01 3k4m s ASN 483 Ca 0.05 0.32 0.05 0.00 -0.71 0.00 0.00 52.86 52.57 3k4m s ASN 483 Cb 0.10 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.19 3k4m s ASN 483 CO 0.42 -1.30 -0.13 -0.54 -1.51 0.00 0.00 177.10 174.04 3k4m s LYS 484 N 4.53 0.78 -0.32 -0.60 1.02 0.31 -2.23 119.74 123.22 3k4m s LYS 484 Ca 0.45 -0.95 -0.07 0.00 0.02 0.00 0.00 55.97 55.42 3k4m s LYS 484 Cb -0.07 -0.71 0.02 0.00 -0.52 0.00 0.00 37.83 36.55 3k4m s LYS 484 CO 0.30 0.15 0.11 -1.17 -0.92 0.00 0.00 175.35 173.82 3k4m s LEU 485 N -1.79 4.16 0.46 3.17 2.96 -0.45 -0.48 118.68 126.70 3k4m s LEU 485 Ca -0.02 -0.89 0.03 0.00 -0.22 0.00 0.00 54.13 53.02 3k4m s LEU 485 Cb -0.09 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 3k4m s LEU 485 CO 0.02 -0.27 0.04 -1.66 -1.32 0.00 0.00 176.35 173.16 3k4m s TRP 486 N 1.48 1.97 -0.02 5.38 1.48 0.79 -4.47 118.94 125.56 3k4m s TRP 486 Ca 0.01 -0.98 0.01 0.00 -1.06 0.00 0.00 56.10 54.09 3k4m s TRP 486 Cb -0.18 -1.52 0.01 0.00 -1.16 0.00 0.00 33.47 30.62 3k4m s TRP 486 CO 0.03 0.14 -0.04 -0.06 -4.06 0.00 0.00 176.95 172.96 3k4m s PHE 487 N -2.95 0.51 0.53 1.66 0.08 -1.26 0.45 117.98 117.00 3k4m s PHE 487 Ca 0.17 -0.10 -0.22 0.00 0.12 0.00 0.00 56.93 56.90 3k4m s PHE 487 Cb 0.04 -0.42 -0.06 0.00 -0.57 0.00 0.00 43.02 42.01 3k4m s PHE 487 CO 0.09 -0.08 1.26 0.45 -0.10 0.00 0.00 175.22 176.84 3k4m n SER 488 N 3.50 2.27 -0.65 1.36 2.88 -0.74 0.27 113.62 122.51 3k4m n SER 488 Ca -0.19 0.97 0.08 0.00 -1.33 0.00 0.00 58.87 58.40 3k4m n SER 488 Cb 0.54 -1.52 0.27 0.00 -0.75 0.00 0.00 64.21 62.75 3k4m n SER 488 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3k4m n ASP 489 N -0.68 1.91 0.04 -3.46 5.68 -1.26 -4.28 116.55 114.51 3k4m n ASP 489 Ca 0.10 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 3k4m n ASP 489 Cb 0.44 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 3k4m n ASP 489 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3k4m n LYS 490 N 0.51 0.00 -1.86 0.11 4.76 -1.26 -5.05 118.16 115.37 3k4m n LYS 490 Ca 0.15 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.19 3k4m n LYS 490 Cb 0.33 -0.15 0.02 0.00 -1.84 0.00 0.00 35.03 33.39 3k4m n LYS 490 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3k4m s ILE 491 N -1.50 2.21 0.04 -0.18 -1.09 -1.26 -4.96 121.20 114.44 3k4m s ILE 491 Ca 0.00 0.17 0.05 0.00 -2.23 0.00 0.00 60.65 58.64 3k4m s ILE 491 Cb 0.00 -3.10 -0.02 0.00 -1.58 0.00 0.00 42.46 37.76 3k4m s ILE 491 CO 0.00 0.02 -0.13 0.42 -1.23 0.00 0.00 174.94 174.01 3k4m s THR 492 N -1.25 1.05 0.48 2.92 -4.23 -1.26 -2.30 115.64 111.05 3k4m s THR 492 Ca 0.63 -0.97 -0.06 0.00 -1.18 0.00 0.00 61.69 60.10 3k4m s THR 492 Cb -0.41 -0.96 0.11 0.00 1.34 0.00 0.00 72.50 72.57 3k4m s THR 492 CO 0.52 -0.01 0.65 -0.90 -0.54 0.00 0.00 174.62 174.34 3k4m n ASP 493 N 1.92 0.24 0.02 3.99 5.68 0.03 -4.81 116.55 123.62 3k4m n ASP 493 Ca -0.18 -1.35 0.11 0.00 -0.50 0.00 0.00 54.79 52.87 3k4m n ASP 493 Cb 0.55 -0.48 0.48 0.00 -1.14 0.00 0.00 41.12 40.53 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 -3.31 2.04 -1.02 2.12 0.00 -1.26 0.05 120.51 119.13 3k4m n ALA 494 Ca -0.11 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.28 3k4m n ALA 494 Cb 0.31 -1.38 0.32 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.63 1.99 -3.96 0.00 4.02 -1.26 -4.95 117.16 111.36 3k4m n TYR 495 Ca 0.05 -1.03 -0.32 0.00 -0.01 0.00 0.00 57.90 56.59 3k4m n TYR 495 Cb 0.28 -0.56 0.01 0.00 -0.02 0.00 0.00 39.34 39.05 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 -0.06 -4.36 -4.78 7.72 4.13 0.11 -4.99 115.26 113.02 3k4m n ASN 496 Ca 0.33 -0.82 -0.24 0.00 1.68 0.00 0.00 54.58 55.53 3k4m n ASN 496 Cb 1.23 -3.50 -0.05 0.00 -1.54 0.00 0.00 39.78 35.91 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 -6.67 2.80 0.46 3.52 -1.94 -1.25 -4.81 119.30 111.41 3k4m s MET 497 Ca 0.68 -1.02 -0.23 0.00 -1.71 0.00 0.00 55.69 53.40 3k4m s MET 497 Cb -0.35 -2.54 -0.09 0.00 2.01 0.00 0.00 34.83 33.86 3k4m s MET 497 CO 0.83 0.44 1.11 -2.30 -0.01 0.00 0.00 175.02 175.08 3k4m n PRO 498 N -0.72 1.48 -2.69 2.03 -0.02 -1.26 -0.79 135.00 133.03 3k4m n PRO 498 Ca -0.08 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.50 3k4m n PRO 498 Cb 0.56 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 3k4m n PRO 498 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3k4m s GLN 499 N -2.26 4.25 0.36 -0.52 2.00 -0.97 -4.57 119.66 117.95 3k4m s GLN 499 Ca 0.65 1.31 -0.28 0.00 -2.00 0.00 0.00 55.36 55.04 3k4m s GLN 499 Cb -0.51 -3.64 -0.12 0.00 0.80 0.00 0.00 33.01 29.55 3k4m s GLN 499 CO 0.55 -0.61 1.34 -2.30 -0.50 0.00 0.00 175.29 173.77 3k4m n PRO 500 N 6.26 2.26 -3.79 1.67 -0.02 -1.26 -1.79 135.00 138.33 3k4m n PRO 500 Ca 0.11 0.80 -0.14 0.00 -2.02 0.00 0.00 63.50 62.25 3k4m n PRO 500 Cb 0.46 -2.43 -0.15 0.00 -0.02 0.00 0.00 33.50 31.36 3k4m n PRO 500 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3k4m s THR 501 N -1.11 -0.04 0.08 3.45 2.01 0.17 -4.61 115.64 115.59 3k4m s THR 501 Ca 0.55 0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.68 3k4m s THR 501 Cb -0.54 -0.11 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 3k4m s THR 501 CO 0.62 0.06 0.27 -0.36 -0.69 0.00 0.00 174.62 174.53 3k4m s PHE 502 N 0.81 3.51 -0.34 4.92 0.08 -1.26 -0.15 117.98 125.55 3k4m s PHE 502 Ca -0.07 0.40 -0.01 0.00 0.12 0.00 0.00 56.93 57.38 3k4m s PHE 502 Cb -0.09 -1.88 0.12 0.00 -0.57 0.00 0.00 43.02 40.60 3k4m s PHE 502 CO -0.03 0.54 0.17 0.34 -0.10 0.00 0.00 175.22 176.14 3k4m s ASP 503 N -2.35 3.46 -0.00 1.36 -1.08 0.37 -4.62 116.67 113.81 3k4m s ASP 503 Ca 0.36 -1.86 0.02 0.00 -0.52 0.00 0.00 52.55 50.55 3k4m s ASP 503 Cb -0.13 -0.57 -0.01 0.00 -1.46 0.00 0.00 42.92 40.76 3k4m s ASP 503 CO 0.25 -0.37 -0.06 0.12 0.52 0.00 0.00 175.17 175.64 3k4m s PHE 504 N 1.40 0.50 -0.04 -5.34 2.19 -0.21 -0.53 117.98 115.95 3k4m s PHE 504 Ca 0.13 -0.12 -0.07 0.00 0.33 0.00 0.00 56.93 57.21 3k4m s PHE 504 Cb -0.20 -0.32 0.01 0.00 -1.31 0.00 0.00 43.02 41.20 3k4m s PHE 504 CO -0.16 -0.01 0.16 1.03 1.83 0.00 0.00 175.22 178.07 3k4m s ARG 505 N -0.22 0.33 -0.06 10.12 1.81 -1.26 -4.11 118.95 125.56 3k4m s ARG 505 Ca 0.01 -0.03 -0.29 0.00 -1.72 0.00 0.00 55.73 53.70 3k4m s ARG 505 Cb -0.03 0.14 -0.07 0.00 -0.45 0.00 0.00 34.95 34.54 3k4m s ARG 505 CO -0.00 -0.06 2.07 -0.06 -0.68 0.00 0.00 175.30 176.56 3k4m s PHE 506 N -0.53 1.22 0.33 -0.53 0.08 -1.26 -4.90 117.98 112.39 3k4m s PHE 506 Ca -0.06 -0.10 -0.27 0.00 0.12 0.00 0.00 56.93 56.62 3k4m s PHE 506 Cb -0.04 -4.13 -0.13 0.00 -0.57 0.00 0.00 43.02 38.15 3k4m s PHE 506 CO 0.01 -5.05 1.12 -2.30 -0.10 0.00 0.00 175.22 168.90 3k4m n PRO 507 N 8.01 1.65 -1.04 0.24 -0.02 -1.26 -4.87 135.00 137.71 3k4m n PRO 507 Ca 0.24 0.58 -0.29 0.00 -2.02 0.00 0.00 63.50 62.01 3k4m n PRO 507 Cb 0.43 -2.06 0.21 0.00 -0.02 0.00 0.00 33.50 32.05 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 -1.11 0.58 0.00 3.55 0.00 -1.26 -3.04 121.76 120.48 3k4m s ALA 508 Ca 0.58 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.03 3k4m s ALA 508 Cb -0.63 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3k4m s ALA 508 CO 0.60 -3.24 0.00 0.41 0.00 0.00 0.00 175.76 173.53 3k4m n GLY 509 N -0.73 0.37 0.19 0.00 0.00 -1.26 -4.44 105.19 99.33 3k4m n GLY 509 Ca 0.07 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 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 0.60 -0.72 1.61 2.43 -2.00 -2.19 114.38 114.12 3k4m h ARG 510 Ca 0.00 -0.09 0.10 0.00 -0.81 0.00 0.00 59.98 59.18 3k4m h ARG 510 Cb 0.00 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.37 3k4m h ARG 510 CO 0.00 0.52 0.35 1.15 -1.51 0.00 0.00 179.97 180.48 3k4m h THR 511 N 0.54 0.82 -0.14 0.20 2.02 -1.78 0.15 112.91 114.72 3k4m h THR 511 Ca 0.14 -0.20 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 3k4m h THR 511 Cb 0.11 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 3k4m h THR 511 CO -0.02 0.11 -0.48 0.28 0.37 0.00 0.00 175.52 175.77 3k4m h SER 512 N 0.58 0.67 -0.85 4.18 0.02 -1.38 -2.01 113.55 114.76 3k4m h SER 512 Ca 0.36 -0.61 0.01 0.00 -0.84 0.00 0.00 61.79 60.71 3k4m h SER 512 Cb 0.41 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 3k4m h SER 512 CO -0.29 1.16 0.56 0.50 -1.14 0.00 0.00 176.83 177.62 3k4m h LYS 513 N 0.21 1.11 -0.20 3.45 3.64 -0.97 -2.04 116.57 121.76 3k4m h LYS 513 Ca -0.02 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.14 3k4m h LYS 513 Cb 1.11 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 3k4m h LYS 513 CO 0.10 0.74 -0.51 0.93 -2.27 0.00 0.00 179.45 178.44 3k4m h GLU 514 N 1.14 0.56 -0.52 1.90 5.08 -0.58 -1.60 114.58 120.57 3k4m h GLU 514 Ca 0.31 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3k4m h GLU 514 Cb -0.13 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3k4m h GLU 514 CO -0.07 0.94 0.06 0.00 -1.00 0.00 0.00 179.01 178.94 3k4m h ALA 515 N 1.00 0.69 -0.38 3.43 0.00 -1.27 0.23 119.26 122.96 3k4m h ALA 515 Ca 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3k4m h ALA 515 Cb 1.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3k4m h ALA 515 CO 0.10 0.45 0.08 1.49 0.00 0.00 0.00 179.25 181.36 3k4m h GLU 516 N 0.75 0.62 -0.78 0.00 4.57 -1.27 -1.63 114.58 116.83 3k4m h GLU 516 Ca 0.15 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 3k4m h GLU 516 Cb 0.44 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.91 3k4m h GLU 516 CO 0.01 0.66 0.34 -0.44 -1.18 0.00 0.00 179.01 178.40 3k4m h ASP 517 N 0.47 1.06 -0.44 1.04 3.32 -1.23 -2.20 116.42 118.44 3k4m h ASP 517 Ca 0.12 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.05 3k4m h ASP 517 Cb 0.33 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 3k4m h ASP 517 CO 0.00 0.92 0.23 -0.03 -1.72 0.00 0.00 179.24 178.64 3k4m h MET 518 N 1.13 0.44 -0.59 3.56 4.05 -0.38 0.77 114.93 123.91 3k4m h MET 518 Ca 0.27 -0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.73 3k4m h MET 518 Cb 0.18 -0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 30.82 3k4m h MET 518 CO -0.03 0.29 0.28 1.98 0.23 0.00 0.00 176.91 179.67 3k4m h MET 519 N 0.45 0.51 -0.71 0.39 1.85 -0.99 -1.11 114.93 115.32 3k4m h MET 519 Ca 0.19 -0.03 -0.07 0.00 -0.61 0.00 0.00 59.70 59.18 3k4m h MET 519 Cb 0.08 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 31.97 3k4m h MET 519 CO -0.12 0.34 0.18 1.15 -0.40 0.00 0.00 176.91 178.05 3k4m h THR 520 N 0.52 1.26 -0.51 -0.77 2.02 -0.94 -1.15 112.91 113.35 3k4m h THR 520 Ca 0.28 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 3k4m h THR 520 Cb 0.24 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 3k4m h THR 520 CO -0.22 0.37 0.30 -0.78 0.37 0.00 0.00 175.52 175.56 3k4m h ASP 521 N 1.08 0.60 -0.19 4.18 3.58 0.08 0.84 116.42 126.59 3k4m h ASP 521 Ca 0.23 -0.03 -0.21 0.00 0.42 0.00 0.00 57.03 57.44 3k4m h ASP 521 Cb 0.36 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 41.27 3k4m h ASP 521 CO 0.00 0.48 -0.69 -0.03 -2.88 0.00 0.00 179.24 176.11 3k4m h MET 522 N 0.70 0.80 -0.30 0.28 4.05 -0.65 0.17 114.93 119.98 3k4m h MET 522 Ca 0.18 -0.61 -0.00 0.00 -0.28 0.00 0.00 59.70 58.99 3k4m h MET 522 Cb -0.01 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 3k4m h MET 522 CO -0.03 1.23 0.18 0.00 0.23 0.00 0.00 176.91 178.51 3k4m h VAL 524 N 0.38 1.26 -0.28 0.00 2.07 -0.87 -2.97 116.25 115.85 3k4m h VAL 524 Ca 0.11 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 3k4m h VAL 524 Cb 0.03 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3k4m h VAL 524 CO -0.02 0.29 0.05 -0.03 0.02 0.00 0.00 177.57 177.89 3k4m h MET 525 N 0.19 0.45 -0.84 1.57 -1.53 -0.60 -3.23 114.93 110.95 3k4m h MET 525 Ca 0.07 -0.12 -0.01 0.00 -3.44 0.00 0.00 59.70 56.20 3k4m h MET 525 Cb 0.44 -0.05 -0.04 0.00 -0.55 0.00 0.00 31.60 31.40 3k4m h MET 525 CO 0.02 0.56 0.48 0.66 0.14 0.00 0.00 176.91 178.76 3k4m h SER 526 N 0.28 1.03 -0.91 1.39 4.64 -1.13 -1.34 113.55 117.50 3k4m h SER 526 Ca 0.08 -0.08 0.26 0.00 -0.47 0.00 0.00 61.79 61.58 3k4m h SER 526 Cb 0.32 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.12 3k4m h SER 526 CO 0.00 0.81 0.72 0.00 -0.87 0.00 0.00 176.83 177.49 3k4m h ALA 527 N 1.26 2.80 0.00 5.18 0.00 -1.54 0.18 119.26 127.15 3k4m h ALA 527 Ca 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3k4m h ALA 527 Cb -0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3k4m h ALA 527 CO -0.05 -1.19 0.00 1.63 0.00 0.00 0.00 179.25 179.64 3k4m n LYS 528 N -4.05 0.20 -0.07 0.00 5.02 -0.51 -3.25 118.16 115.50 3k4m n LYS 528 Ca 0.19 0.32 -0.07 0.00 -2.02 0.00 0.00 58.31 56.73 3k4m n LYS 528 Cb 1.03 -1.81 -0.11 0.00 -0.02 0.00 0.00 35.03 34.12 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 -2.17 0.99 0.00 -0.18 2.08 0.58 -4.98 119.36 115.68 3k4m n ILE 529 Ca 0.04 -0.61 0.00 0.00 0.56 0.00 0.00 62.75 62.73 3k4m n ILE 529 Cb 0.30 -0.62 0.00 0.00 -0.75 0.00 0.00 39.64 38.58 3k4m n ILE 529 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3k4m n GLY 530 N 2.11 1.82 3.89 7.39 0.00 -0.75 -0.70 105.19 118.95 3k4m n GLY 530 Ca -0.24 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 3k4m n GLY 530 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k4m s GLY 531 N 0.00 1.61 0.50 -0.02 0.00 -1.21 -3.71 107.32 104.49 3k4m s GLY 531 Ca 0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 44.72 44.13 3k4m s GLY 531 CO 0.00 -0.07 1.41 -1.36 0.00 0.00 0.00 173.10 173.07 3k4m s PHE 532 N -3.10 2.35 -0.25 1.90 0.08 -1.26 -1.29 117.98 116.41 3k4m s PHE 532 Ca 0.54 1.30 -0.25 0.00 0.12 0.00 0.00 56.93 58.64 3k4m s PHE 532 Cb -0.11 -3.89 -0.00 0.00 -0.57 0.00 0.00 43.02 38.45 3k4m s PHE 532 CO 0.50 -3.00 0.87 -1.17 -0.10 0.00 0.00 175.22 172.32 3k4m s LEU 533 N -3.09 4.08 0.27 -0.37 2.96 -0.32 -4.66 118.68 117.55 3k4m s LEU 533 Ca 0.66 1.07 -0.30 0.00 -0.22 0.00 0.00 54.13 55.34 3k4m s LEU 533 Cb -0.43 -3.25 -0.14 0.00 0.50 0.00 0.00 46.19 42.88 3k4m s LEU 533 CO 0.53 -0.56 1.22 -2.65 -1.32 0.00 0.00 176.35 173.58 3k4m n PRO 534 N 6.10 1.73 0.00 0.98 -0.02 -1.26 -0.83 135.00 141.70 3k4m n PRO 534 Ca 0.07 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3k4m n PRO 534 Cb 0.47 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.51 2.92 2.55 -1.23 0.00 -1.26 -4.77 105.19 104.92 3k4m n GLY 535 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 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 2.69 -4.80 1.61 7.64 -0.01 -5.06 113.62 115.69 3k4m n SER 536 Ca 0.00 -3.29 -0.31 0.00 1.01 0.00 0.00 58.87 56.29 3k4m n SER 536 Cb 0.00 -0.56 0.07 0.00 -1.01 0.00 0.00 64.21 62.71 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 -3.04 2.94 0.17 -3.43 1.43 -1.25 -1.85 118.68 113.65 3k4m s LEU 537 Ca 0.42 1.58 -0.32 0.00 -1.03 0.00 0.00 54.13 54.78 3k4m s LEU 537 Cb 0.35 -4.34 -0.12 0.00 0.03 0.00 0.00 46.19 42.11 3k4m s LEU 537 CO -0.10 -1.75 1.74 -2.65 0.23 0.00 0.00 176.35 173.82 3k4m n PRO 538 N -3.32 2.66 -3.59 1.29 -0.02 -1.25 -4.55 135.00 126.22 3k4m n PRO 538 Ca 0.08 0.96 -0.17 0.00 -2.02 0.00 0.00 63.50 62.35 3k4m n PRO 538 Cb 0.54 -2.81 -0.07 0.00 -0.02 0.00 0.00 33.50 31.14 3k4m n PRO 538 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3k4m s GLN 539 N 1.68 0.94 0.29 -0.52 -2.07 -0.89 -4.97 119.66 114.12 3k4m s GLN 539 Ca 0.78 0.17 -0.25 0.00 -1.82 0.00 0.00 55.36 54.24 3k4m s GLN 539 Cb -0.53 0.44 -0.09 0.00 -1.09 0.00 0.00 33.01 31.73 3k4m s GLN 539 CO 0.35 -0.28 0.89 -0.06 -1.32 0.00 0.00 175.29 174.87 3k4m s PHE 540 N -1.16 3.70 0.36 9.60 0.08 -1.26 -1.28 117.98 128.02 3k4m s PHE 540 Ca -0.11 1.70 -0.03 0.00 0.12 0.00 0.00 56.93 58.60 3k4m s PHE 540 Cb -0.02 -2.85 -0.04 0.00 -0.57 0.00 0.00 43.02 39.54 3k4m s PHE 540 CO 0.08 0.26 0.62 -1.64 -0.10 0.00 0.00 175.22 174.44 3k4m s MET 541 N -1.97 3.57 0.11 0.44 -1.94 0.35 -4.95 119.30 114.90 3k4m s MET 541 Ca 0.48 -0.04 -0.34 0.00 -1.71 0.00 0.00 55.69 54.07 3k4m s MET 541 Cb -0.19 -2.57 -0.18 0.00 2.01 0.00 0.00 34.83 33.90 3k4m s MET 541 CO 0.24 0.08 0.95 -1.91 -0.01 0.00 0.00 175.02 174.36 3k4m n GLU 542 N -1.56 0.37 -1.68 2.03 2.13 -1.26 -4.75 120.64 115.92 3k4m n GLU 542 Ca -0.02 0.13 -0.43 0.00 0.66 0.00 0.00 57.16 57.50 3k4m n GLU 542 Cb 0.55 -1.49 -0.03 0.00 0.27 0.00 0.00 31.44 30.74 3k4m n GLU 542 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3k4m n PRO 543 N 1.46 2.76 0.00 5.31 -0.02 -1.26 -1.90 135.00 141.35 3k4m n PRO 543 Ca 0.18 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.67 3k4m n PRO 543 Cb 0.18 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 30.74 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 4.32 1.74 0.22 -1.23 0.00 -1.26 -0.84 105.19 108.14 3k4m n GLY 544 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 0.18 -2.39 0.99 5.85 -1.44 -0.57 115.31 117.91 3k4m h LEU 545 Ca 0.00 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3k4m h LEU 545 Cb 0.00 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 3k4m h LEU 545 CO 0.00 0.41 0.11 1.62 -0.34 0.00 0.00 178.44 180.24 3k4m h VAL 546 N 0.17 0.41 -6.46 1.05 3.04 -1.87 -3.47 116.25 109.12 3k4m h VAL 546 Ca 0.03 0.00 -0.49 0.00 -1.01 0.00 0.00 66.70 65.23 3k4m h VAL 546 Cb 0.49 0.91 -0.03 0.00 -2.01 0.00 0.00 31.29 30.65 3k4m h VAL 546 CO 0.03 0.00 -0.90 0.18 -1.01 0.00 0.00 177.57 175.87 3k4m n LEU 547 N -3.68 -2.28 -0.43 3.16 4.77 -0.22 -4.94 117.00 113.38 3k4m n LEU 547 Ca -0.01 -1.02 0.07 0.00 -0.03 0.00 0.00 56.01 55.03 3k4m n LEU 547 Cb 0.21 -2.24 0.15 0.00 -2.33 0.00 0.00 43.42 39.21 3k4m n LEU 547 CO 0.26 0.45 0.42 1.41 -1.33 0.00 0.00 177.39 178.60 3k4m n HIS 548 N -4.38 0.00 -1.62 -1.77 8.25 -1.26 -5.04 115.22 109.40 3k4m n HIS 548 Ca -0.27 -1.11 -0.46 0.00 -0.26 0.00 0.00 57.72 55.62 3k4m n HIS 548 Cb 0.67 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 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 -1.07 2.27 -4.10 2.41 7.94 -1.26 -4.66 117.00 118.54 3k4m n LEU 549 Ca 0.16 1.15 -0.13 0.00 -1.11 0.00 0.00 56.01 56.07 3k4m n LEU 549 Cb 0.70 -1.32 -0.05 0.00 0.53 0.00 0.00 43.42 43.28 3k4m n LEU 549 CO -0.02 -0.96 0.08 -0.83 -1.11 0.00 0.00 177.39 174.55 3k4m s GLY 550 N 0.03 1.34 0.00 -3.96 0.00 0.21 -4.30 107.32 100.64 3k4m s GLY 550 Ca 0.68 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.96 3k4m s GLY 550 CO 0.53 -1.01 0.00 0.61 0.00 0.00 0.00 173.10 173.23 3k4m n GLY 551 N -0.49 0.72 0.24 0.20 0.00 0.05 -0.66 105.19 105.25 3k4m n GLY 551 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 1.00 -1.76 2.61 1.35 -1.79 -3.33 112.91 110.99 3k4m h THR 552 Ca 0.00 -0.52 -0.51 0.00 -0.55 0.00 0.00 66.41 64.83 3k4m h THR 552 Cb 0.00 1.29 -0.36 0.00 -1.73 0.00 0.00 68.15 67.35 3k4m h THR 552 CO 0.00 0.14 -1.05 0.00 -0.25 0.00 0.00 175.52 174.37 3k4m n HIS 553 N -4.22 -0.65 -3.17 4.73 1.44 -0.77 -0.85 115.22 111.73 3k4m n HIS 553 Ca -0.02 -3.38 -0.37 0.00 -2.01 0.00 0.00 57.72 51.93 3k4m n HIS 553 Cb 0.22 -0.13 -0.06 0.00 0.12 0.00 0.00 29.99 30.14 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 -1.11 4.26 0.71 -1.40 1.70 -1.13 -3.74 118.95 118.23 3k4m s ARG 554 Ca 0.35 0.83 -0.11 0.00 -0.47 0.00 0.00 55.73 56.33 3k4m s ARG 554 Cb 0.20 -3.07 0.02 0.00 -0.57 0.00 0.00 34.95 31.53 3k4m s ARG 554 CO -0.12 0.52 1.07 1.41 -1.08 0.00 0.00 175.30 177.09 3k4m s MET 555 N -1.55 2.78 0.00 3.89 -2.45 0.55 -0.88 119.30 121.64 3k4m s MET 555 Ca 0.37 0.81 0.00 0.00 -1.25 0.00 0.00 55.69 55.62 3k4m s MET 555 Cb -0.19 -1.98 0.00 0.00 1.25 0.00 0.00 34.83 33.91 3k4m s MET 555 CO 0.21 -1.17 0.00 0.41 1.05 0.00 0.00 175.02 175.52 3k4m n GLY 556 N -2.17 0.26 0.15 2.11 0.00 -0.85 -4.63 105.19 100.05 3k4m n GLY 556 Ca 0.07 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 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 0.87 -3.23 1.61 0.04 -1.93 -3.30 116.94 111.00 3k4m h PHE 557 Ca 0.00 -0.64 -0.54 0.00 2.80 0.00 0.00 57.97 59.60 3k4m h PHE 557 Cb 0.00 -0.03 -0.37 0.00 2.20 0.00 0.00 35.95 37.74 3k4m h PHE 557 CO 0.00 1.59 -0.80 0.34 -0.60 0.00 0.00 178.31 178.84 3k4m s ASP 558 N -7.46 2.40 0.24 2.17 2.15 -1.26 -4.94 116.67 109.97 3k4m s ASP 558 Ca -0.12 -0.42 0.02 0.00 0.43 0.00 0.00 52.55 52.46 3k4m s ASP 558 Cb 0.04 -0.87 0.58 0.00 -0.30 0.00 0.00 42.92 42.38 3k4m s ASP 558 CO 0.91 -0.14 1.19 1.21 -0.17 0.00 0.00 175.17 178.17 3k4m n GLU 559 N 4.92 -0.06 -0.06 4.34 2.13 -1.26 -1.21 120.64 129.44 3k4m n GLU 559 Ca -0.12 1.14 -0.21 0.00 0.66 0.00 0.00 57.16 58.63 3k4m n GLU 559 Cb 0.49 -1.81 -0.13 0.00 0.27 0.00 0.00 31.44 30.27 3k4m n GLU 559 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3k4m n LYS 560 N -5.05 0.70 -0.07 5.31 4.81 -1.26 -1.37 118.16 121.22 3k4m n LYS 560 Ca 0.18 0.24 -0.15 0.00 -0.87 0.00 0.00 58.31 57.71 3k4m n LYS 560 Cb 0.59 -1.63 -0.05 0.00 0.02 0.00 0.00 35.03 33.95 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 -0.08 0.80 -0.23 1.64 5.08 -1.92 -3.18 114.58 116.68 3k4m h GLU 561 Ca -0.49 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.34 3k4m h GLU 561 Cb 1.91 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.23 3k4m h GLU 561 CO -0.02 1.15 0.00 -0.25 -1.00 0.00 0.00 179.01 178.89 3k4m n ASP 562 N -4.07 2.64 -3.25 1.42 8.00 -0.35 -4.99 116.55 115.94 3k4m n ASP 562 Ca -0.05 -1.86 -0.07 0.00 0.71 0.00 0.00 54.79 53.51 3k4m n ASP 562 Cb 0.61 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 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 0.98 -7.01 -3.05 -2.24 5.03 -1.14 -4.90 115.26 102.93 3k4m n ASN 563 Ca 0.17 -0.33 -0.12 0.00 0.87 0.00 0.00 54.58 55.17 3k4m n ASN 563 Cb 0.50 -4.44 -0.01 0.00 -1.02 0.00 0.00 39.78 34.81 3k4m n ASN 563 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k4m s VAL 566 N -1.78 0.99 0.19 0.00 -7.23 -1.20 -2.93 120.40 108.44 3k4m s VAL 566 Ca 0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 3k4m s VAL 566 Cb 0.00 -2.73 0.01 0.00 0.56 0.00 0.00 36.38 34.23 3k4m s VAL 566 CO 0.00 0.00 0.11 -0.46 -0.31 0.00 0.00 175.10 174.44 3k4m n ASN 567 N -0.68 1.82 0.00 4.85 0.23 -0.58 -2.01 115.26 118.90 3k4m n ASN 567 Ca -0.02 -1.70 0.06 0.00 -0.53 0.00 0.00 54.58 52.39 3k4m n ASN 567 Cb 0.66 0.02 0.29 0.00 -2.08 0.00 0.00 39.78 38.67 3k4m n ASN 567 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3k4m n THR 568 N -0.85 0.90 0.31 5.53 -2.24 -1.24 0.47 114.28 117.16 3k4m n THR 568 Ca -0.02 0.22 0.12 0.00 -2.27 0.00 0.00 64.05 62.10 3k4m n THR 568 Cb 0.23 -1.02 0.21 0.00 -2.10 0.00 0.00 70.33 67.65 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 -1.38 3.45 0.00 3.42 8.00 -1.26 -4.68 116.55 124.10 3k4m n ASP 569 Ca 0.05 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.56 3k4m n ASP 569 Cb 0.12 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 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 1.48 -3.99 -4.74 -2.24 7.64 0.18 -4.35 113.62 107.60 3k4m n SER 570 Ca 0.19 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.66 3k4m n SER 570 Cb 0.60 -1.82 -0.04 0.00 -1.01 0.00 0.00 64.21 61.94 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 -0.88 4.66 0.17 1.43 3.52 -1.26 -2.16 118.95 124.43 3k4m s ARG 571 Ca 0.00 1.59 -0.30 0.00 -0.13 0.00 0.00 55.73 56.89 3k4m s ARG 571 Cb 0.00 -3.32 -0.08 0.00 -1.56 0.00 0.00 34.95 29.99 3k4m s ARG 571 CO 0.00 0.17 1.32 0.08 -0.81 0.00 0.00 175.30 176.06 3k4m s VAL 572 N -0.22 3.27 0.44 7.11 1.01 -0.31 -1.52 120.40 130.18 3k4m s VAL 572 Ca 0.48 1.00 -0.26 0.00 0.00 0.00 0.00 61.98 63.20 3k4m s VAL 572 Cb -0.27 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 3k4m s VAL 572 CO 0.33 0.13 1.42 -0.36 0.00 0.00 0.00 175.10 176.62 3k4m s PHE 573 N 0.41 2.49 0.00 5.22 0.08 -1.15 -1.93 117.98 123.11 3k4m s PHE 573 Ca 0.59 1.26 0.00 0.00 0.12 0.00 0.00 56.93 58.90 3k4m s PHE 573 Cb -0.36 -3.91 0.00 0.00 -0.57 0.00 0.00 43.02 38.17 3k4m s PHE 573 CO 0.36 -2.89 0.00 0.41 -0.10 0.00 0.00 175.22 173.00 3k4m n GLY 574 N 0.57 3.09 3.31 4.36 0.00 -1.26 -4.98 105.19 110.28 3k4m n GLY 574 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.45 2.93 0.28 1.61 0.40 -0.81 -3.83 117.98 117.11 3k4m s PHE 575 Ca 0.00 -0.93 -0.02 0.00 -0.60 0.00 0.00 56.93 55.38 3k4m s PHE 575 Cb 0.00 -2.06 0.38 0.00 0.51 0.00 0.00 43.02 41.85 3k4m s PHE 575 CO 0.00 -0.51 1.84 0.87 0.70 0.00 0.00 175.22 178.12 3k4m h LYS 576 N 7.91 0.90 0.00 0.44 1.79 -1.03 -3.37 116.57 123.21 3k4m h LYS 576 Ca -0.40 -0.16 -0.08 0.00 -2.18 0.00 0.00 60.65 57.83 3k4m h LYS 576 Cb 1.16 -0.15 -0.17 0.00 -1.58 0.00 0.00 32.23 31.50 3k4m h LYS 576 CO 0.60 0.76 -0.69 0.27 -1.08 0.00 0.00 179.45 179.32 3k4m n ASN 577 N -4.29 0.93 -4.10 0.86 6.94 -1.26 -5.00 115.26 109.33 3k4m n ASN 577 Ca 0.05 -2.39 -0.31 0.00 -0.02 0.00 0.00 54.58 51.91 3k4m n ASN 577 Cb 0.20 -0.32 -0.16 0.00 -2.36 0.00 0.00 39.78 37.14 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 -0.76 1.95 0.01 -4.53 2.96 -1.26 -1.32 118.68 115.73 3k4m s LEU 578 Ca 0.24 -0.56 0.05 0.00 -0.22 0.00 0.00 54.13 53.64 3k4m s LEU 578 Cb 0.26 -1.33 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 3k4m s LEU 578 CO -0.08 0.02 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.44 3k4m s PHE 579 N 1.12 1.50 -0.10 5.38 0.40 -0.68 -1.16 117.98 124.44 3k4m s PHE 579 Ca -0.01 -0.31 -0.01 0.00 -0.60 0.00 0.00 56.93 56.00 3k4m s PHE 579 Cb -0.14 -0.94 -0.03 0.00 0.51 0.00 0.00 43.02 42.42 3k4m s PHE 579 CO -0.07 0.01 -0.05 -0.51 0.70 0.00 0.00 175.22 175.29 3k4m s LEU 580 N -0.66 3.22 0.11 -0.37 1.43 -0.92 0.32 118.68 121.82 3k4m s LEU 580 Ca 0.06 -0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 3k4m s LEU 580 Cb -0.07 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3k4m s LEU 580 CO 0.00 0.30 -0.18 -0.83 0.23 0.00 0.00 176.35 175.87 3k4m s GLY 581 N -0.45 1.18 0.00 -3.19 0.00 -0.65 -4.81 107.32 99.40 3k4m s GLY 581 Ca 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.54 3k4m s GLY 581 CO 0.02 -1.27 0.00 0.61 0.00 0.00 0.00 173.10 172.46 3k4m n GLY 582 N 0.92 0.85 0.24 0.20 0.00 -1.26 -4.50 105.19 101.64 3k4m n GLY 582 Ca -0.18 -2.20 0.14 0.00 0.00 0.00 0.00 46.02 43.77 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 2.92 0.00 2.00 0.00 0.00 -1.88 -1.48 103.07 104.62 3k4m h GLY 584 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3k4m h GLY 584 CO 0.01 0.00 -0.06 3.43 0.00 0.00 0.00 176.54 179.92 3k4m h ASN 585 N 0.00 0.00 -3.05 0.19 2.35 -1.28 -1.98 115.58 111.80 3k4m h ASN 585 Ca 0.20 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.38 3k4m h ASN 585 Cb 0.90 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.21 3k4m h ASN 585 CO -0.00 0.06 0.82 -0.63 -1.65 0.00 0.00 177.43 176.03 3k4m s ILE 586 N -3.84 4.59 -0.49 2.81 1.01 -0.57 -0.33 121.20 124.38 3k4m s ILE 586 Ca -0.01 1.92 0.22 0.00 0.00 0.00 0.00 60.65 62.78 3k4m s ILE 586 Cb 0.11 -4.25 -0.18 0.00 0.01 0.00 0.00 42.46 38.15 3k4m s ILE 586 CO 0.54 -0.18 0.87 -0.81 0.00 0.00 0.00 174.94 175.36 3k4m n PRO 587 N 6.41 0.37 -2.48 2.79 -0.04 -1.26 -0.77 135.00 140.01 3k4m n PRO 587 Ca 0.12 -0.04 -0.24 0.00 -0.04 0.00 0.00 63.50 63.30 3k4m n PRO 587 Cb 0.46 -1.58 0.09 0.00 -0.04 0.00 0.00 33.50 32.43 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 -3.26 2.28 -0.36 0.52 -4.23 -1.26 -4.74 115.64 104.58 3k4m s THR 588 Ca 0.01 -0.51 -0.19 0.00 -1.18 0.00 0.00 61.69 59.82 3k4m s THR 588 Cb 0.14 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.21 3k4m s THR 588 CO 0.84 0.00 0.57 0.00 -0.54 0.00 0.00 174.62 175.49 3k4m s ALA 589 N -3.13 3.46 0.03 3.99 0.00 -1.26 -4.80 121.76 120.06 3k4m s ALA 589 Ca 0.64 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.69 3k4m s ALA 589 Cb -0.07 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 3k4m s ALA 589 CO 0.44 -1.29 -0.14 1.52 0.00 0.00 0.00 175.76 176.28 3k4m s TYR 590 N 2.54 1.23 -0.09 0.00 1.13 -1.26 -4.53 117.35 116.37 3k4m s TYR 590 Ca 0.21 -0.33 0.19 0.00 -1.41 0.00 0.00 57.07 55.72 3k4m s TYR 590 Cb -0.15 -0.74 -0.28 0.00 -1.10 0.00 0.00 41.96 39.70 3k4m s TYR 590 CO 0.14 0.03 0.28 0.41 -2.51 0.00 0.00 175.55 173.89 3k4m n GLY 591 N 2.03 -0.91 3.92 5.49 0.00 -1.26 -4.25 105.19 110.20 3k4m n GLY 591 Ca -0.17 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.98 3.15 0.01 4.61 0.00 -1.26 -3.94 121.76 121.34 3k4m s ALA 592 Ca -0.08 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 3k4m s ALA 592 Cb 0.10 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.50 3k4m s ALA 592 CO 0.80 -1.15 1.33 -0.80 0.00 0.00 0.00 175.76 175.93 3k4m s ASN 593 N -4.44 6.92 0.28 0.00 -0.87 -1.26 -4.90 114.94 110.67 3k4m s ASN 593 Ca 0.58 2.06 0.24 0.00 -1.57 0.00 0.00 52.86 54.17 3k4m s ASN 593 Cb -0.11 -2.57 0.49 0.00 -0.02 0.00 0.00 41.25 39.05 3k4m s ASN 593 CO 0.46 -0.65 1.58 1.55 -2.57 0.00 0.00 177.10 177.47 3k4m h PRO 594 N 7.48 0.00 -0.70 -0.60 0.13 -1.91 -3.39 132.00 133.01 3k4m h PRO 594 Ca -0.38 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 3k4m h PRO 594 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 3k4m h PRO 594 CO 0.88 0.00 0.37 1.15 -0.23 0.00 0.00 178.00 180.17 3k4m h THR 595 N 0.00 1.22 -0.29 1.56 2.02 -1.90 -1.28 112.91 114.24 3k4m h THR 595 Ca 0.00 -0.58 0.04 0.00 0.77 0.00 0.00 66.41 66.64 3k4m h THR 595 Cb 0.86 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 3k4m h THR 595 CO 0.00 0.25 0.07 0.25 0.37 0.00 0.00 175.52 176.46 3k4m h LEU 596 N 0.97 0.04 -0.28 2.58 5.85 -1.86 0.45 115.31 123.06 3k4m h LEU 596 Ca 0.25 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.06 3k4m h LEU 596 Cb 0.07 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3k4m h LEU 596 CO -0.04 0.06 -0.03 0.74 -0.34 0.00 0.00 178.44 178.83 3k4m h THR 597 N 0.18 0.76 -0.67 1.05 2.02 -1.64 0.41 112.91 115.02 3k4m h THR 597 Ca 0.13 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.31 3k4m h THR 597 Cb 0.13 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 3k4m h THR 597 CO -0.16 0.01 0.44 0.00 0.37 0.00 0.00 175.52 176.18 3k4m h ALA 598 N 1.26 0.86 -0.63 6.16 0.00 -0.87 -1.91 119.26 124.13 3k4m h ALA 598 Ca 0.14 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3k4m h ALA 598 Cb 0.19 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 3k4m h ALA 598 CO -0.25 0.26 0.29 1.98 0.00 0.00 0.00 179.25 181.52 3k4m h MET 599 N 0.89 0.50 -0.05 0.00 -1.53 0.77 -2.34 114.93 113.16 3k4m h MET 599 Ca 0.25 -0.03 -0.09 0.00 -3.44 0.00 0.00 59.70 56.39 3k4m h MET 599 Cb -0.08 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 30.85 3k4m h MET 599 CO -0.07 0.33 -0.39 0.77 0.14 0.00 0.00 176.91 177.69 3k4m h SER 600 N 0.51 0.11 0.28 1.39 0.02 -0.21 -1.71 113.55 113.94 3k4m h SER 600 Ca 0.30 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 61.08 3k4m h SER 600 Cb 0.31 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3k4m h SER 600 CO -0.26 0.49 -0.52 -0.07 -1.14 0.00 0.00 176.83 175.34 3k4m h LEU 601 N 0.09 0.29 -0.28 5.07 3.38 -0.91 -2.76 115.31 120.19 3k4m h LEU 601 Ca 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3k4m h LEU 601 Cb 0.73 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3k4m h LEU 601 CO 0.05 0.76 0.11 0.00 0.09 0.00 0.00 178.44 179.45 3k4m h ALA 602 N 1.25 0.36 -0.36 1.53 0.00 -0.88 0.97 119.26 122.14 3k4m h ALA 602 Ca 0.01 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3k4m h ALA 602 Cb 0.98 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 3k4m h ALA 602 CO 0.08 -0.04 -0.24 0.82 0.00 0.00 0.00 179.25 179.87 3k4m h ILE 603 N 0.30 0.36 -0.69 0.00 2.04 -1.28 0.18 117.51 118.42 3k4m h ILE 603 Ca 0.09 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.04 3k4m h ILE 603 Cb 0.18 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 3k4m h ILE 603 CO -0.01 0.00 0.35 0.50 0.00 0.00 0.00 178.15 178.99 3k4m h LYS 604 N -0.19 0.59 -0.74 2.37 3.64 -1.23 -1.47 116.57 119.53 3k4m h LYS 604 Ca 0.18 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3k4m h LYS 604 Cb 0.47 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 3k4m h LYS 604 CO -0.47 0.39 0.43 1.03 -2.27 0.00 0.00 179.45 178.56 3k4m h SER 605 N 0.61 0.90 0.50 4.20 0.87 0.71 -1.96 113.55 119.37 3k4m h SER 605 Ca 0.33 -0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.75 3k4m h SER 605 Cb 0.33 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3k4m h SER 605 CO -0.25 0.71 -0.36 0.00 -0.53 0.00 0.00 176.83 176.39 3k4m h GLU 607 N 0.00 0.83 -0.21 0.00 5.08 -0.49 0.37 114.58 120.15 3k4m h GLU 607 Ca -0.00 -0.20 -0.15 0.00 -1.00 0.00 0.00 59.36 58.01 3k4m h GLU 607 Cb 0.71 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3k4m h GLU 607 CO 0.05 0.79 -0.50 -0.92 -1.00 0.00 0.00 179.01 177.43 3k4m h TYR 608 N 0.79 0.69 -0.33 4.33 5.03 -1.34 -2.94 116.97 123.20 3k4m h TYR 608 Ca 0.16 -0.23 -0.14 0.00 2.58 0.00 0.00 58.73 61.11 3k4m h TYR 608 Cb 0.37 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 3k4m h TYR 608 CO 0.02 0.95 -0.33 0.82 -1.32 0.00 0.00 178.16 178.29 3k4m h ILE 609 N 0.44 1.29 -0.08 1.81 2.04 -1.02 -1.74 117.51 120.25 3k4m h ILE 609 Ca 0.02 -1.51 0.02 0.00 1.00 0.00 0.00 64.86 64.40 3k4m h ILE 609 Cb 1.02 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 3k4m h ILE 609 CO 0.09 0.49 0.11 0.11 0.00 0.00 0.00 178.15 178.96 3k4m h LYS 610 N 0.59 0.00 -0.02 2.37 1.57 -0.77 -2.17 116.57 118.14 3k4m h LYS 610 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3k4m h LYS 610 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 3k4m h LYS 610 CO 0.08 0.00 -0.34 1.04 -0.57 0.00 0.00 179.45 179.67 3k4m n GLN 611 N -3.66 1.50 0.00 3.15 6.02 -0.70 -4.40 117.38 119.28 3k4m n GLN 611 Ca -0.01 -1.23 0.00 0.00 -0.01 0.00 0.00 57.00 55.75 3k4m n GLN 611 Cb 0.21 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.99 3k4m n GLN 611 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3k4m n ASN 612 N 0.32 0.55 -3.89 1.08 3.02 -0.84 -5.06 115.26 110.45 3k4m n ASN 612 Ca 0.11 -1.08 -0.11 0.00 -0.03 0.00 0.00 54.58 53.47 3k4m n ASN 612 Cb 0.50 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.56 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 -0.08 0.07 -0.04 3.10 0.08 -1.07 -5.08 117.98 114.96 3k4m s PHE 613 Ca 0.00 -0.16 0.06 0.00 0.12 0.00 0.00 56.93 56.95 3k4m s PHE 613 Cb 0.00 -0.07 -0.02 0.00 -0.57 0.00 0.00 43.02 42.36 3k4m s PHE 613 CO 0.00 -0.24 -0.21 0.99 -0.10 0.00 0.00 175.22 175.66 3k4m s THR 614 N -1.25 2.50 0.27 0.64 2.01 -1.26 -4.75 115.64 113.81 3k4m s THR 614 Ca -0.13 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 60.64 3k4m s THR 614 Cb -0.07 -1.92 -0.10 0.00 0.01 0.00 0.00 72.50 70.42 3k4m s THR 614 CO 0.01 0.58 1.26 -2.16 -0.69 0.00 0.00 174.62 173.62 3k4m s PRO 615 N -0.64 4.43 0.72 4.92 0.04 -1.26 -4.99 135.00 138.22 3k4m s PRO 615 Ca 0.10 2.06 -0.16 0.00 0.04 0.00 0.00 61.00 63.04 3k4m s PRO 615 Cb -0.10 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 3k4m s PRO 615 CO -0.00 -0.12 0.83 -1.13 0.04 0.00 0.00 177.00 176.62 3k4m n SER 616 N 1.61 -0.05 -4.76 6.66 3.41 -1.26 -4.93 113.62 114.30 3k4m n SER 616 Ca 0.02 0.64 -0.39 0.00 -0.26 0.00 0.00 58.87 58.88 3k4m n SER 616 Cb 0.43 -1.35 0.01 0.00 -0.26 0.00 0.00 64.21 63.04 3k4m n SER 616 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3k4m s PRO 617 N -3.17 3.61 0.00 4.33 0.04 -1.26 -4.88 135.00 133.67 3k4m s PRO 617 Ca 0.71 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.90 3k4m s PRO 617 Cb -0.35 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.68 3k4m s PRO 617 CO 0.53 -0.79 0.28 0.34 0.04 0.00 0.00 177.00 177.40