#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4j s TYR 47 N 0.00 1.65 0.04 5.64 1.51 -0.08 -5.00 117.35 121.11 3k4j s TYR 47 Ca 0.00 -0.77 -0.23 0.00 -1.01 0.00 0.00 57.07 55.06 3k4j s TYR 47 Cb 0.00 -0.91 -0.15 0.00 -0.11 0.00 0.00 41.96 40.79 3k4j s TYR 47 CO 0.00 0.14 1.47 -0.44 -1.11 0.00 0.00 175.55 175.61 3k4j h ASP 48 N 2.48 0.13 -3.69 2.29 3.32 -1.39 -2.86 116.42 116.70 3k4j h ASP 48 Ca -0.38 -0.30 -0.31 0.00 0.02 0.00 0.00 57.03 56.06 3k4j h ASP 48 Cb 1.22 -0.04 -0.31 0.00 0.22 0.00 0.00 39.33 40.43 3k4j h ASP 48 CO 0.65 0.40 -0.74 -0.69 -1.72 0.00 0.00 179.24 177.14 3k4j s VAL 49 N -5.00 0.20 -0.09 -1.35 1.01 -0.90 -1.27 120.40 113.01 3k4j s VAL 49 Ca -0.14 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3k4j s VAL 49 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.20 3k4j s VAL 49 CO 0.69 0.10 -0.22 0.68 0.00 0.00 0.00 175.10 176.34 3k4j s VAL 50 N 0.39 2.23 -0.15 2.92 -7.23 -0.60 -1.16 120.40 116.81 3k4j s VAL 50 Ca -0.04 -0.97 -0.01 0.00 -1.81 0.00 0.00 61.98 59.15 3k4j s VAL 50 Cb -0.06 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 35.01 3k4j s VAL 50 CO -0.01 0.56 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.59 3k4j s ILE 51 N 0.14 3.03 -0.37 -0.62 1.01 0.18 -1.04 121.20 123.54 3k4j s ILE 51 Ca -0.12 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 3k4j s ILE 51 Cb -0.16 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.03 3k4j s ILE 51 CO 0.07 0.51 0.23 -0.69 0.00 0.00 0.00 174.94 175.05 3k4j s VAL 52 N 0.60 4.84 0.00 2.92 1.01 -0.34 -1.19 120.40 128.24 3k4j s VAL 52 Ca -0.07 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3k4j s VAL 52 Cb -0.15 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3k4j s VAL 52 CO 0.03 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.55 3k4j n GLY 53 N 5.05 2.67 1.20 4.51 0.00 0.89 -0.65 105.19 118.86 3k4j n GLY 53 Ca -0.12 -1.37 -0.02 0.00 0.00 0.00 0.00 46.02 44.51 3k4j n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k4j n SER 54 N 0.00 3.04 -3.44 1.61 3.41 -1.26 -4.30 113.62 112.68 3k4j n SER 54 Ca 0.00 -3.53 -0.27 0.00 -0.26 0.00 0.00 58.87 54.80 3k4j n SER 54 Cb 0.00 -0.63 0.23 0.00 -0.26 0.00 0.00 64.21 63.55 3k4j n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k4j n GLY 55 N -0.93 -2.87 0.31 5.00 0.00 -1.26 -2.31 105.19 103.14 3k4j n GLY 55 Ca 0.32 -1.47 0.19 0.00 0.00 0.00 0.00 46.02 45.07 3k4j n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4j h PRO 56 N 0.00 0.00 0.18 1.61 0.13 -1.92 0.78 132.00 132.78 3k4j h PRO 56 Ca -0.38 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.47 3k4j h PRO 56 Cb 1.16 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.31 3k4j h PRO 56 CO 0.24 0.02 -1.32 0.82 -0.23 0.00 0.00 178.00 177.53 3k4j h ILE 57 N 0.00 1.24 -0.88 -3.56 1.08 -1.92 -2.35 117.51 111.12 3k4j h ILE 57 Ca -0.00 -2.56 0.04 0.00 -0.39 0.00 0.00 64.86 61.95 3k4j h ILE 57 Cb 0.19 2.98 -0.05 0.00 -3.07 0.00 0.00 36.82 36.86 3k4j h ILE 57 CO 0.00 0.77 0.57 1.23 -0.69 0.00 0.00 178.15 180.03 3k4j h GLY 58 N 0.07 1.30 2.00 5.37 0.00 -1.64 -2.11 103.07 108.05 3k4j h GLY 58 Ca -0.25 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 3k4j h GLY 58 CO 0.18 0.35 -0.11 0.00 0.00 0.00 0.00 176.54 176.96 3k4j h THR 60 N 0.00 1.38 -0.56 0.00 2.02 -0.82 0.14 112.91 115.08 3k4j h THR 60 Ca -0.00 -1.17 0.06 0.00 0.77 0.00 0.00 66.41 66.07 3k4j h THR 60 Cb 0.35 2.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.84 3k4j h THR 60 CO 0.01 0.31 0.26 1.88 0.37 0.00 0.00 175.52 178.36 3k4j h TYR 61 N -0.42 0.48 -0.07 3.16 0.05 -1.14 -1.64 116.97 117.39 3k4j h TYR 61 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3k4j h TYR 61 Cb 0.52 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.12 3k4j h TYR 61 CO 0.09 0.20 0.05 0.00 -1.05 0.00 0.00 178.16 177.46 3k4j h ALA 62 N 1.33 0.09 -0.38 3.88 0.00 -0.69 0.34 119.26 123.82 3k4j h ALA 62 Ca 0.26 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.24 3k4j h ALA 62 Cb 0.21 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 3k4j h ALA 62 CO -0.20 -0.42 -0.10 -0.09 0.00 0.00 0.00 179.25 178.44 3k4j h ARG 63 N 0.09 -0.01 -0.30 0.00 2.43 -0.49 0.16 114.38 116.26 3k4j h ARG 63 Ca 0.03 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 3k4j h ARG 63 Cb -0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3k4j h ARG 63 CO -0.01 -0.01 -0.10 0.93 -1.51 0.00 0.00 179.97 179.28 3k4j h GLU 64 N -0.01 0.60 0.12 0.20 4.39 -1.05 -2.78 114.58 116.05 3k4j h GLU 64 Ca 0.19 -0.24 -0.34 0.00 0.34 0.00 0.00 59.36 59.30 3k4j h GLU 64 Cb 0.29 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3k4j h GLU 64 CO -0.40 0.81 -1.82 -0.07 -1.16 0.00 0.00 179.01 176.37 3k4j h LEU 65 N 0.36 0.39 -0.42 1.33 3.38 -0.73 -1.98 115.31 117.64 3k4j h LEU 65 Ca 0.07 -0.72 0.03 0.00 0.09 0.00 0.00 57.88 57.34 3k4j h LEU 65 Cb 0.60 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3k4j h LEU 65 CO 0.04 1.63 0.23 0.58 0.09 0.00 0.00 178.44 181.01 3k4j h VAL 66 N 0.07 1.01 -0.63 1.22 2.07 -0.85 -2.32 116.25 116.81 3k4j h VAL 66 Ca -0.35 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3k4j h VAL 66 Cb 2.04 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 3k4j h VAL 66 CO 0.12 0.08 0.37 1.23 0.02 0.00 0.00 177.57 179.40 3k4j h GLY 67 N 0.46 0.91 1.51 2.17 0.00 -1.51 -1.65 103.07 104.96 3k4j h GLY 67 Ca 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3k4j h GLY 67 CO -0.10 0.36 0.00 0.00 0.00 0.00 0.00 176.54 176.80 3k4j n ALA 68 N -2.44 2.12 -0.24 3.60 0.00 -0.75 -4.92 120.51 117.88 3k4j n ALA 68 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3k4j n ALA 68 Cb 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3k4j n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4j n GLY 69 N 0.49 0.87 3.79 0.00 0.00 -0.62 -4.94 105.19 104.79 3k4j n GLY 69 Ca 0.11 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3k4j n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k4j s TYR 70 N -2.00 2.94 -0.53 1.61 1.51 -0.90 -4.64 117.35 115.34 3k4j s TYR 70 Ca 0.00 1.57 -0.23 0.00 -1.01 0.00 0.00 57.07 57.40 3k4j s TYR 70 Cb 0.00 -3.10 0.04 0.00 -0.11 0.00 0.00 41.96 38.79 3k4j s TYR 70 CO 0.00 -0.96 0.87 0.21 -1.11 0.00 0.00 175.55 174.55 3k4j s LYS 71 N -3.26 3.31 -0.09 -0.62 2.20 -1.26 -4.32 119.74 115.70 3k4j s LYS 71 Ca 0.68 -0.34 0.02 0.00 -0.36 0.00 0.00 55.97 55.97 3k4j s LYS 71 Cb -0.18 -4.04 -0.02 0.00 -1.51 0.00 0.00 37.83 32.08 3k4j s LYS 71 CO 0.21 -1.39 -0.13 0.08 -0.36 0.00 0.00 175.35 173.77 3k4j s VAL 72 N 3.64 3.14 0.05 4.02 1.01 -0.93 -1.02 120.40 130.31 3k4j s VAL 72 Ca 0.28 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.66 3k4j s VAL 72 Cb -0.14 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3k4j s VAL 72 CO 0.19 0.56 -0.16 0.00 0.00 0.00 0.00 175.10 175.69 3k4j s ALA 73 N -0.24 2.70 -0.03 5.51 0.00 -0.31 -1.69 121.76 127.71 3k4j s ALA 73 Ca 0.01 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.80 3k4j s ALA 73 Cb -0.13 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.20 3k4j s ALA 73 CO 0.03 0.59 -0.08 1.41 0.00 0.00 0.00 175.76 177.71 3k4j s MET 74 N -1.60 0.92 -0.01 0.00 1.75 0.04 -0.64 119.30 119.77 3k4j s MET 74 Ca 0.16 -0.26 0.08 0.00 -1.25 0.00 0.00 55.69 54.41 3k4j s MET 74 Cb -0.11 -0.87 -0.02 0.00 2.84 0.00 0.00 34.83 36.67 3k4j s MET 74 CO 0.07 0.08 -0.24 -0.06 -0.65 0.00 0.00 175.02 174.21 3k4j s PHE 75 N 0.31 2.39 -0.01 4.11 0.08 -0.33 -0.29 117.98 124.24 3k4j s PHE 75 Ca -0.05 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.62 3k4j s PHE 75 Cb -0.09 -1.50 0.01 0.00 -0.57 0.00 0.00 43.02 40.87 3k4j s PHE 75 CO 0.01 0.03 0.00 0.34 -0.10 0.00 0.00 175.22 175.50 3k4j s ASP 76 N -0.78 0.15 0.50 1.36 -1.08 -0.93 -0.08 116.67 115.81 3k4j s ASP 76 Ca 0.11 -0.01 0.24 0.00 -0.52 0.00 0.00 52.55 52.37 3k4j s ASP 76 Cb -0.10 -0.06 1.31 0.00 -1.46 0.00 0.00 42.92 42.61 3k4j s ASP 76 CO 0.00 -0.04 2.03 -0.29 0.52 0.00 0.00 175.17 177.40 3k4j h ILE 77 N 5.57 0.70 -2.17 4.11 2.10 -1.80 -0.35 117.51 125.68 3k4j h ILE 77 Ca -0.33 -0.62 -0.47 0.00 1.08 0.00 0.00 64.86 64.53 3k4j h ILE 77 Cb 1.17 1.38 0.08 0.00 -1.09 0.00 0.00 36.82 38.37 3k4j h ILE 77 CO 0.50 0.15 0.11 -0.83 -1.08 0.00 0.00 178.15 176.99 3k4j s GLY 78 N -4.20 1.76 0.36 8.18 0.00 -1.26 -3.75 107.32 108.41 3k4j s GLY 78 Ca -0.03 -1.73 0.09 0.00 0.00 0.00 0.00 44.72 43.05 3k4j s GLY 78 CO 0.61 -1.16 0.00 -0.54 0.00 0.00 0.00 173.10 172.02 3k4j s GLU 79 N -5.15 2.01 -0.31 2.90 2.02 -1.26 -0.93 118.70 117.98 3k4j s GLU 79 Ca 0.66 -1.85 -0.29 0.00 0.02 0.00 0.00 54.97 53.51 3k4j s GLU 79 Cb -0.05 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.34 3k4j s GLU 79 CO 0.44 0.09 1.27 0.42 0.02 0.00 0.00 175.26 177.51 3k4j s ILE 80 N -2.57 4.18 -0.35 -1.63 1.01 -1.26 -1.10 121.20 119.47 3k4j s ILE 80 Ca 0.35 1.33 0.14 0.00 0.00 0.00 0.00 60.65 62.47 3k4j s ILE 80 Cb 0.02 -4.19 0.42 0.00 0.01 0.00 0.00 42.46 38.72 3k4j s ILE 80 CO 0.19 -0.49 1.30 -0.90 0.00 0.00 0.00 174.94 175.03 3k4j n ASP 81 N 7.56 -0.69 -0.23 3.58 5.75 -1.26 -4.94 116.55 126.31 3k4j n ASP 81 Ca 0.14 -2.39 0.01 0.00 -0.01 0.00 0.00 54.79 52.54 3k4j n ASP 81 Cb 0.47 0.44 0.01 0.00 -1.03 0.00 0.00 41.12 41.01 3k4j n ASP 81 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3k4j n SER 82 N -0.74 0.38 0.00 -1.12 7.64 -1.26 -5.06 113.62 113.45 3k4j n SER 82 Ca -0.03 -1.72 0.00 0.00 1.01 0.00 0.00 58.87 58.13 3k4j n SER 82 Cb 0.85 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 3k4j n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4j n GLY 83 N -0.17 -3.27 0.24 0.23 0.00 -1.26 -4.62 105.19 96.33 3k4j n GLY 83 Ca 0.01 -2.00 0.13 0.00 0.00 0.00 0.00 46.02 44.17 3k4j n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k4j h LEU 84 N 0.00 0.00 -8.37 0.99 3.38 -2.01 -3.38 115.31 105.92 3k4j h LEU 84 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3k4j h LEU 84 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 3k4j h LEU 84 CO 0.00 0.00 1.11 -0.54 0.09 0.00 0.00 178.44 179.10 3k4j s LYS 85 N -3.33 3.11 0.17 1.13 1.02 -1.26 -4.98 119.74 115.60 3k4j s LYS 85 Ca 0.05 -0.13 -0.31 0.00 0.02 0.00 0.00 55.97 55.60 3k4j s LYS 85 Cb 0.06 -4.23 -0.10 0.00 -0.52 0.00 0.00 37.83 33.04 3k4j s LYS 85 CO 0.64 -2.24 1.53 0.42 -0.92 0.00 0.00 175.35 174.78 3k4j s ILE 86 N 6.22 2.71 -0.16 2.17 1.01 -1.26 -2.28 121.20 129.61 3k4j s ILE 86 Ca 0.40 0.52 0.00 0.00 0.00 0.00 0.00 60.65 61.57 3k4j s ILE 86 Cb -0.09 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.05 3k4j s ILE 86 CO 0.15 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.75 3k4j n GLY 87 N 3.55 0.47 3.84 6.18 0.00 -1.26 -4.29 105.19 113.69 3k4j n GLY 87 Ca 0.13 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 3k4j n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4j s ALA 88 N -1.83 2.42 0.05 4.61 0.00 -0.97 -2.84 121.76 123.21 3k4j s ALA 88 Ca 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 51.96 51.26 3k4j s ALA 88 Cb 0.00 -3.04 -0.07 0.00 0.00 0.00 0.00 23.12 20.01 3k4j s ALA 88 CO 0.00 -1.66 1.40 -1.58 0.00 0.00 0.00 175.76 173.92 3k4j s HIS 89 N -3.32 3.01 0.08 0.00 2.46 -1.26 -4.62 115.29 111.64 3k4j s HIS 89 Ca 0.61 0.86 0.33 0.00 0.47 0.00 0.00 55.06 57.34 3k4j s HIS 89 Cb -0.13 -3.68 1.46 0.00 -0.13 0.00 0.00 32.58 30.10 3k4j s HIS 89 CO 0.52 -2.45 1.99 0.87 -2.47 0.00 0.00 174.74 173.20 3k4j h LYS 90 N 7.41 0.00 0.00 2.88 1.57 -1.29 -2.44 116.57 124.71 3k4j h LYS 90 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3k4j h LYS 90 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3k4j h LYS 90 CO 0.88 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.93 3k4j n LYS 91 N -2.94 0.39 -0.60 3.15 4.81 -1.26 -4.08 118.16 117.63 3k4j n LYS 91 Ca 0.00 0.01 -0.04 0.00 -0.87 0.00 0.00 58.31 57.41 3k4j n LYS 91 Cb 0.25 -1.50 0.01 0.00 0.02 0.00 0.00 35.03 33.81 3k4j n LYS 91 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k4j n ASN 92 N -1.30 5.63 -4.72 3.14 3.02 -0.92 -4.40 115.26 115.71 3k4j n ASN 92 Ca 0.13 -2.58 -0.27 0.00 -0.03 0.00 0.00 54.58 51.84 3k4j n ASN 92 Cb 0.25 -1.11 -0.07 0.00 -0.61 0.00 0.00 39.78 38.24 3k4j n ASN 92 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3k4j s THR 93 N -0.59 4.05 0.29 3.41 -4.23 -1.26 -5.00 115.64 112.32 3k4j s THR 93 Ca 0.08 -1.22 -0.02 0.00 -1.18 0.00 0.00 61.69 59.35 3k4j s THR 93 Cb 0.06 -3.03 0.21 0.00 1.34 0.00 0.00 72.50 71.09 3k4j s THR 93 CO -0.00 -0.07 1.90 0.58 -0.54 0.00 0.00 174.62 176.50 3k4j h VAL 94 N 2.39 1.22 -0.39 2.29 2.07 -1.97 -2.52 116.25 119.33 3k4j h VAL 94 Ca -0.47 -0.57 -0.12 0.00 0.82 0.00 0.00 66.70 66.36 3k4j h VAL 94 Cb 1.19 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3k4j h VAL 94 CO 0.60 0.25 -0.22 -0.08 0.02 0.00 0.00 177.57 178.14 3k4j h GLU 95 N 0.99 0.84 -0.72 1.57 4.57 -1.94 -1.94 114.58 117.94 3k4j h GLU 95 Ca 0.25 -0.38 -0.07 0.00 -1.18 0.00 0.00 59.36 57.98 3k4j h GLU 95 Cb 0.05 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 3k4j h GLU 95 CO -0.04 1.01 0.19 1.88 -1.18 0.00 0.00 179.01 180.88 3k4j h TYR 96 N 0.64 1.19 0.00 0.92 0.05 -1.80 -1.67 116.97 116.31 3k4j h TYR 96 Ca 0.08 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.73 3k4j h TYR 96 Cb 0.78 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 38.18 3k4j h TYR 96 CO 0.06 0.96 0.00 1.04 -1.05 0.00 0.00 178.16 179.17 3k4j n GLN 97 N -4.24 0.03 0.00 4.88 6.02 -0.97 -1.12 117.38 121.98 3k4j n GLN 97 Ca 0.06 0.14 0.11 0.00 -0.01 0.00 0.00 57.00 57.30 3k4j n GLN 97 Cb 0.25 -1.54 0.11 0.00 1.02 0.00 0.00 30.24 30.08 3k4j n GLN 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3k4j n LYS 98 N -1.58 0.29 -3.15 -1.09 5.02 -0.75 -4.54 118.16 112.36 3k4j n LYS 98 Ca 0.05 -0.21 -0.19 0.00 -2.02 0.00 0.00 58.31 55.95 3k4j n LYS 98 Cb 0.27 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 3k4j n LYS 98 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3k4j n ASN 99 N -1.17 0.34 0.21 4.39 3.02 -0.27 -5.00 115.26 116.77 3k4j n ASN 99 Ca 0.06 -2.98 0.04 0.00 -0.03 0.00 0.00 54.58 51.67 3k4j n ASN 99 Cb 0.35 -0.38 0.45 0.00 -0.61 0.00 0.00 39.78 39.59 3k4j n ASN 99 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3k4j h ILE 100 N 1.45 1.18 0.00 2.41 6.09 -1.48 -2.21 117.51 124.95 3k4j h ILE 100 Ca 0.07 -0.89 0.00 0.00 -1.37 0.00 0.00 64.86 62.67 3k4j h ILE 100 Cb 0.96 1.48 0.00 0.00 0.47 0.00 0.00 36.82 39.73 3k4j h ILE 100 CO 0.46 0.25 0.00 0.44 -3.07 0.00 0.00 178.15 176.23 3k4j h ASP 101 N 0.00 0.00 0.13 2.19 3.32 -1.87 -1.62 116.42 118.57 3k4j h ASP 101 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3k4j h ASP 101 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3k4j h ASP 101 CO 0.03 0.00 -0.05 0.11 -1.72 0.00 0.00 179.24 177.62 3k4j h LYS 102 N 0.00 0.00 0.00 3.56 1.79 -1.74 -3.11 116.57 117.07 3k4j h LYS 102 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3k4j h LYS 102 Cb 0.55 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 3k4j h LYS 102 CO 0.00 0.05 -0.12 0.35 -1.08 0.00 0.00 179.45 178.64 3k4j h PHE 103 N 0.00 0.00 -0.46 -1.35 3.57 -1.45 -2.33 116.94 114.92 3k4j h PHE 103 Ca -0.00 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 3k4j h PHE 103 Cb 0.12 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3k4j h PHE 103 CO 0.00 0.12 0.31 -0.24 -2.23 0.00 0.00 178.31 176.28 3k4j h VAL 104 N 0.00 0.89 -0.26 1.41 3.04 -1.73 -1.28 116.25 118.32 3k4j h VAL 104 Ca -0.00 -0.08 -0.15 0.00 -1.01 0.00 0.00 66.70 65.46 3k4j h VAL 104 Cb 0.40 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.30 3k4j h VAL 104 CO 0.02 0.04 -0.44 0.78 -1.01 0.00 0.00 177.57 176.97 3k4j h ASN 105 N 0.24 0.69 -0.62 3.17 4.21 -1.65 -1.04 115.58 120.58 3k4j h ASN 105 Ca 0.21 -0.32 -0.02 0.00 1.21 0.00 0.00 56.30 57.38 3k4j h ASN 105 Cb 0.52 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.49 3k4j h ASN 105 CO -0.04 1.03 0.33 0.58 -1.29 0.00 0.00 177.43 178.04 3k4j h VAL 106 N 0.52 1.20 0.39 2.81 2.07 -1.33 0.61 116.25 122.52 3k4j h VAL 106 Ca 0.04 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3k4j h VAL 106 Cb 0.97 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3k4j h VAL 106 CO 0.09 0.23 -0.19 0.40 0.02 0.00 0.00 177.57 178.12 3k4j h ILE 107 N 0.85 0.63 -0.75 4.57 2.04 -1.28 -2.82 117.51 120.74 3k4j h ILE 107 Ca 0.22 -0.10 0.07 0.00 1.00 0.00 0.00 64.86 66.04 3k4j h ILE 107 Cb 0.07 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 3k4j h ILE 107 CO -0.03 0.02 0.44 1.56 0.00 0.00 0.00 178.15 180.14 3k4j h GLN 108 N -0.58 0.77 -0.21 2.37 4.20 -1.08 -1.70 115.11 118.88 3k4j h GLN 108 Ca -0.05 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.67 3k4j h GLN 108 Cb 0.43 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3k4j h GLN 108 CO 0.09 0.51 0.34 0.78 -0.67 0.00 0.00 178.83 179.88 3k4j h GLY 109 N 0.79 0.00 -0.77 3.46 0.00 -0.72 -2.98 103.07 102.86 3k4j h GLY 109 Ca 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 3k4j h GLY 109 CO -0.19 0.00 -0.35 0.61 0.00 0.00 0.00 176.54 176.61 3k4j n GLN 110 N -3.43 1.31 -3.69 4.80 10.64 -0.65 -4.93 117.38 121.43 3k4j n GLN 110 Ca 0.03 -2.87 -0.38 0.00 -1.83 0.00 0.00 57.00 51.95 3k4j n GLN 110 Cb 0.46 -1.43 -0.10 0.00 -0.86 0.00 0.00 30.24 28.31 3k4j n GLN 110 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3k4j s LEU 111 N -2.77 5.34 -0.25 2.61 1.43 -1.12 -3.98 118.68 119.93 3k4j s LEU 111 Ca 0.34 -1.90 -0.16 0.00 -1.03 0.00 0.00 54.13 51.38 3k4j s LEU 111 Cb 0.32 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 3k4j s LEU 111 CO -0.04 -0.58 0.42 -0.04 0.23 0.00 0.00 176.35 176.34 3k4j s MET 112 N 1.25 4.06 0.33 1.70 -1.94 -0.18 -4.83 119.30 119.70 3k4j s MET 112 Ca 0.06 0.15 -0.29 0.00 -1.71 0.00 0.00 55.69 53.90 3k4j s MET 112 Cb -0.24 -3.63 -0.12 0.00 2.01 0.00 0.00 34.83 32.85 3k4j s MET 112 CO -0.02 -0.25 1.51 0.43 -0.01 0.00 0.00 175.02 176.68 3k4j n SER 113 N 5.22 3.67 -0.04 3.03 7.64 -1.26 -0.43 113.62 131.46 3k4j n SER 113 Ca -0.07 1.19 -0.14 0.00 1.01 0.00 0.00 58.87 60.86 3k4j n SER 113 Cb 0.50 -1.59 -0.09 0.00 -1.01 0.00 0.00 64.21 62.03 3k4j n SER 113 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3k4j h VAL 114 N 3.08 1.41 -2.54 0.44 2.07 -1.48 -3.45 116.25 115.78 3k4j h VAL 114 Ca -0.48 -1.49 -0.28 0.00 0.82 0.00 0.00 66.70 65.27 3k4j h VAL 114 Cb 1.24 2.19 -0.35 0.00 -1.52 0.00 0.00 31.29 32.85 3k4j h VAL 114 CO 0.71 0.42 -0.59 -0.55 0.02 0.00 0.00 177.57 177.58 3k4j s SER 115 N -6.14 1.03 -0.21 0.57 0.15 -1.26 -4.68 113.70 103.16 3k4j s SER 115 Ca -0.15 0.00 -0.05 0.00 0.70 0.00 0.00 55.95 56.46 3k4j s SER 115 Cb 0.03 0.52 -0.02 0.00 -1.71 0.00 0.00 66.02 64.84 3k4j s SER 115 CO 0.74 -0.30 -0.01 -0.69 1.20 0.00 0.00 173.24 174.18 3k4j s VAL 116 N 2.37 3.77 0.98 4.45 1.01 -1.26 -4.76 120.40 126.95 3k4j s VAL 116 Ca 0.06 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 3k4j s VAL 116 Cb -0.15 -2.71 0.18 0.00 0.00 0.00 0.00 36.38 33.70 3k4j s VAL 116 CO -0.12 0.42 1.11 -2.16 0.00 0.00 0.00 175.10 174.35 3k4j s PRO 117 N 1.21 0.56 0.05 2.72 0.04 -1.26 0.75 135.00 139.07 3k4j s PRO 117 Ca 0.03 0.42 -0.31 0.00 0.04 0.00 0.00 61.00 61.19 3k4j s PRO 117 Cb -0.15 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 3k4j s PRO 117 CO 0.01 -2.62 1.38 0.08 0.04 0.00 0.00 177.00 175.89 3k4j s VAL 118 N -3.06 3.58 0.15 -0.36 1.01 -1.26 -4.66 120.40 115.80 3k4j s VAL 118 Ca 0.65 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 63.39 3k4j s VAL 118 Cb -0.17 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.46 3k4j s VAL 118 CO 0.56 0.04 1.06 0.21 0.00 0.00 0.00 175.10 176.97 3k4j s ASN 119 N 1.55 7.33 -0.10 3.32 3.84 -1.26 -4.96 114.94 124.66 3k4j s ASN 119 Ca 0.64 1.99 0.16 0.00 0.21 0.00 0.00 52.86 55.86 3k4j s ASN 119 Cb -0.33 -2.60 0.35 0.00 -0.55 0.00 0.00 41.25 38.11 3k4j s ASN 119 CO 0.28 -0.18 1.16 0.35 -2.79 0.00 0.00 177.10 175.92 3k4j n THR 120 N 2.57 1.12 -2.40 -5.21 -2.24 -1.26 -4.85 114.28 102.02 3k4j n THR 120 Ca 0.03 -1.91 -0.41 0.00 -2.27 0.00 0.00 64.05 59.49 3k4j n THR 120 Cb 0.47 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 3k4j n THR 120 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4j s LEU 121 N -1.66 4.45 -0.24 3.22 1.43 -1.26 -4.99 118.68 119.62 3k4j s LEU 121 Ca 0.31 2.20 -0.20 0.00 -1.03 0.00 0.00 54.13 55.40 3k4j s LEU 121 Cb 0.31 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 3k4j s LEU 121 CO -0.08 -0.36 0.62 -0.69 0.23 0.00 0.00 176.35 176.07 3k4j s VAL 122 N 0.02 5.00 -0.36 -1.59 1.01 -1.26 -5.02 120.40 118.20 3k4j s VAL 122 Ca 0.53 1.14 -0.03 0.00 0.00 0.00 0.00 61.98 63.61 3k4j s VAL 122 Cb -0.32 -3.93 0.08 0.00 0.00 0.00 0.00 36.38 32.20 3k4j s VAL 122 CO 0.36 0.06 0.12 -0.69 0.00 0.00 0.00 175.10 174.94 3k4j s VAL 123 N 2.30 3.30 -0.12 2.92 1.01 -1.26 -4.94 120.40 123.61 3k4j s VAL 123 Ca 0.27 -1.63 0.13 0.00 0.00 0.00 0.00 61.98 60.74 3k4j s VAL 123 Cb -0.16 -3.05 0.22 0.00 0.00 0.00 0.00 36.38 33.39 3k4j s VAL 123 CO 0.09 -0.39 1.13 -0.90 0.00 0.00 0.00 175.10 175.03 3k4j n ASP 124 N 4.65 2.37 -1.74 3.32 5.68 -1.26 -4.55 116.55 125.02 3k4j n ASP 124 Ca -0.08 -2.73 0.02 0.00 -0.50 0.00 0.00 54.79 51.50 3k4j n ASP 124 Cb 0.43 -0.30 0.33 0.00 -1.14 0.00 0.00 41.12 40.44 3k4j n ASP 124 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3k4j n THR 125 N -1.04 2.76 -1.97 2.12 -2.24 -1.26 -4.98 114.28 107.66 3k4j n THR 125 Ca 0.11 -1.64 -0.32 0.00 -2.27 0.00 0.00 64.05 59.93 3k4j n THR 125 Cb 0.53 -0.31 0.02 0.00 -2.10 0.00 0.00 70.33 68.47 3k4j n THR 125 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4j s LEU 126 N -2.90 3.45 0.52 3.22 1.43 -1.26 -5.02 118.68 118.12 3k4j s LEU 126 Ca 0.53 1.79 -0.22 0.00 -1.03 0.00 0.00 54.13 55.19 3k4j s LEU 126 Cb 0.42 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.05 3k4j s LEU 126 CO 0.13 -1.21 1.31 -0.55 0.23 0.00 0.00 176.35 176.25 3k4j s SER 127 N -2.92 5.55 0.66 2.29 0.15 -1.26 -4.90 113.70 113.28 3k4j s SER 127 Ca 0.63 2.65 0.38 0.00 0.70 0.00 0.00 55.95 60.31 3k4j s SER 127 Cb -0.16 -2.63 2.09 0.00 -1.71 0.00 0.00 66.02 63.61 3k4j s SER 127 CO 0.39 -1.37 2.19 -0.65 1.20 0.00 0.00 173.24 175.01 3k4j h PRO 128 N 1.67 0.00 0.00 5.44 0.11 -1.99 -1.93 132.00 135.30 3k4j h PRO 128 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3k4j h PRO 128 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3k4j h PRO 128 CO 0.58 0.00 -0.30 0.25 -0.21 0.00 0.00 178.00 178.32 3k4j n THR 129 N -3.07 0.49 -2.38 -1.15 -2.24 -1.26 -4.87 114.28 99.81 3k4j n THR 129 Ca -0.02 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.06 3k4j n THR 129 Cb 0.20 -0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 68.03 3k4j n THR 129 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3k4j s SER 130 N -4.41 7.11 0.35 3.42 0.01 -0.73 -5.00 113.70 114.45 3k4j s SER 130 Ca 0.08 2.29 -0.28 0.00 1.31 0.00 0.00 55.95 59.35 3k4j s SER 130 Cb 0.13 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.64 3k4j s SER 130 CO 0.66 -0.32 1.33 0.86 0.41 0.00 0.00 173.24 176.18 3k4j s TRP 131 N -0.47 2.93 -0.13 2.43 -0.00 -1.26 -4.95 118.94 117.50 3k4j s TRP 131 Ca 0.50 1.38 -0.09 0.00 -0.00 0.00 0.00 56.10 57.89 3k4j s TRP 131 Cb -0.33 -3.73 0.04 0.00 -0.00 0.00 0.00 33.47 29.45 3k4j s TRP 131 CO 0.39 -2.08 0.32 -0.65 -0.00 0.00 0.00 176.95 174.93 3k4j s GLN 132 N -1.93 0.33 0.70 5.86 -1.52 -1.26 -5.15 119.66 116.69 3k4j s GLN 132 Ca 0.51 0.55 -0.11 0.00 -1.95 0.00 0.00 55.36 54.35 3k4j s GLN 132 Cb -0.40 0.05 0.01 0.00 -0.22 0.00 0.00 33.01 32.45 3k4j s GLN 132 CO 0.54 -0.10 1.07 0.00 -0.25 0.00 0.00 175.29 176.54 3k4j s ALA 133 N 0.76 2.59 -2.26 6.09 0.00 -1.26 -4.97 121.76 122.71 3k4j s ALA 133 Ca -0.05 0.15 0.28 0.00 0.00 0.00 0.00 51.96 52.34 3k4j s ALA 133 Cb -0.06 -3.20 1.03 0.00 0.00 0.00 0.00 23.12 20.89 3k4j s ALA 133 CO -0.05 -1.31 1.73 0.43 0.00 0.00 0.00 175.76 176.56 3k4j n SER 134 N -3.12 1.27 -3.93 0.00 7.64 -1.26 -4.92 113.62 109.30 3k4j n SER 134 Ca 0.08 -1.29 -0.09 0.00 1.01 0.00 0.00 58.87 58.58 3k4j n SER 134 Cb 0.53 0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 63.68 3k4j n SER 134 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3k4j s THR 135 N -2.14 0.14 -1.18 0.44 -4.23 -1.26 -5.08 115.64 102.34 3k4j s THR 135 Ca 0.35 -1.37 -0.17 0.00 -1.18 0.00 0.00 61.69 59.32 3k4j s THR 135 Cb 0.21 -1.50 0.12 0.00 1.34 0.00 0.00 72.50 72.66 3k4j s THR 135 CO 0.39 -0.64 1.50 -0.36 -0.54 0.00 0.00 174.62 174.97 3k4j s PHE 136 N -3.90 3.08 0.65 3.99 0.08 -1.26 -5.00 117.98 115.62 3k4j s PHE 136 Ca 0.09 -1.70 -0.07 0.00 0.12 0.00 0.00 56.93 55.37 3k4j s PHE 136 Cb 0.05 -4.51 0.03 0.00 -0.57 0.00 0.00 43.02 38.03 3k4j s PHE 136 CO -0.08 -1.62 0.97 -0.59 -0.10 0.00 0.00 175.22 173.81 3k4j s PHE 137 N 3.05 3.11 -0.19 0.36 -0.71 -1.26 -4.93 117.98 117.41 3k4j s PHE 137 Ca 0.45 0.60 -0.29 0.00 -1.04 0.00 0.00 56.93 56.66 3k4j s PHE 137 Cb -0.00 -2.98 -0.03 0.00 -1.21 0.00 0.00 43.02 38.80 3k4j s PHE 137 CO 0.00 -1.12 1.67 0.08 -1.34 0.00 0.00 175.22 174.51 3k4j s VAL 138 N -3.15 3.62 0.23 -2.49 1.01 -1.26 -4.85 120.40 113.51 3k4j s VAL 138 Ca 0.57 0.70 -0.08 0.00 0.00 0.00 0.00 61.98 63.17 3k4j s VAL 138 Cb -0.11 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3k4j s VAL 138 CO 0.46 -0.24 0.33 0.00 0.00 0.00 0.00 175.10 175.65 3k4j s ARG 139 N 4.69 1.40 -1.44 2.72 1.70 -1.26 -4.95 118.95 121.80 3k4j s ARG 139 Ca 0.74 -1.40 -0.09 0.00 -0.47 0.00 0.00 55.73 54.51 3k4j s ARG 139 Cb -0.27 0.39 0.05 0.00 -0.57 0.00 0.00 34.95 34.54 3k4j s ARG 139 CO 0.30 -0.54 0.69 0.09 -1.08 0.00 0.00 175.30 174.77 3k4j n ASN 140 N -0.33 -5.04 -0.23 -2.89 3.02 -1.26 -1.17 115.26 107.36 3k4j n ASN 140 Ca -0.00 -0.45 -0.03 0.00 -0.03 0.00 0.00 54.58 54.07 3k4j n ASN 140 Cb 0.64 -4.07 -0.01 0.00 -0.61 0.00 0.00 39.78 35.72 3k4j n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k4j n GLY 141 N -1.48 0.61 3.78 7.41 0.00 -1.26 -5.02 105.19 109.24 3k4j n GLY 141 Ca -0.04 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 3k4j n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k4j s SER 142 N -2.54 5.44 -0.45 1.61 1.04 -0.32 -4.70 113.70 113.79 3k4j s SER 142 Ca 0.00 1.96 -0.17 0.00 0.48 0.00 0.00 55.95 58.21 3k4j s SER 142 Cb 0.00 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.61 3k4j s SER 142 CO 0.00 -1.40 0.47 0.21 0.98 0.00 0.00 173.24 173.49 3k4j s ASN 143 N -2.54 6.19 0.05 7.02 2.47 0.23 -4.76 114.94 123.60 3k4j s ASN 143 Ca 0.66 -0.83 0.19 0.00 0.42 0.00 0.00 52.86 53.30 3k4j s ASN 143 Cb -0.19 -2.23 0.79 0.00 -1.45 0.00 0.00 41.25 38.17 3k4j s ASN 143 CO 0.38 -0.65 1.60 -0.81 -3.72 0.00 0.00 177.10 173.89 3k4j n PRO 144 N 5.65 0.04 0.19 0.43 -0.04 -1.26 -1.24 135.00 138.77 3k4j n PRO 144 Ca -0.08 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 3k4j n PRO 144 Cb 0.46 -1.57 0.20 0.00 -0.04 0.00 0.00 33.50 32.55 3k4j n PRO 144 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3k4j h GLU 145 N 0.00 0.00 -6.46 0.54 4.39 -1.95 -3.46 114.58 107.64 3k4j h GLU 145 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 3k4j h GLU 145 Cb 0.33 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.92 3k4j h GLU 145 CO 0.00 0.00 0.91 -1.14 -1.16 0.00 0.00 179.01 177.62 3k4j s GLN 146 N -3.20 3.89 -0.11 2.33 2.00 -0.37 -5.00 119.66 119.20 3k4j s GLN 146 Ca 0.07 0.94 -0.29 0.00 -2.00 0.00 0.00 55.36 54.07 3k4j s GLN 146 Cb 0.06 -3.84 -0.04 0.00 0.80 0.00 0.00 33.01 30.00 3k4j s GLN 146 CO 0.67 -1.15 1.52 0.34 -0.50 0.00 0.00 175.29 176.16 3k4j s ASP 147 N 2.31 6.73 0.62 6.67 -1.08 -1.26 -4.63 116.67 126.01 3k4j s ASP 147 Ca 0.50 1.98 0.40 0.00 -0.52 0.00 0.00 52.55 54.90 3k4j s ASP 147 Cb -0.12 -2.53 1.99 0.00 -1.46 0.00 0.00 42.92 40.80 3k4j s ASP 147 CO 0.23 -0.91 2.21 1.55 0.52 0.00 0.00 175.17 178.77 3k4j h PRO 148 N 9.23 0.00 -0.18 4.34 0.13 -1.95 -2.65 132.00 140.91 3k4j h PRO 148 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3k4j h PRO 148 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3k4j h PRO 148 CO 0.97 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.02 3k4j n LEU 149 N -3.07 2.74 -2.60 1.56 4.77 -1.26 -4.21 117.00 114.92 3k4j n LEU 149 Ca -0.02 -1.06 -0.09 0.00 -0.03 0.00 0.00 56.01 54.81 3k4j n LEU 149 Cb 0.17 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3k4j n LEU 149 CO 0.23 0.53 0.02 0.54 -1.33 0.00 0.00 177.39 177.38 3k4j n ARG 150 N 1.07 2.14 -4.11 3.23 1.74 -1.00 -4.94 116.66 114.79 3k4j n ARG 150 Ca 0.17 -3.68 -0.24 0.00 -0.77 0.00 0.00 57.85 53.34 3k4j n ARG 150 Cb 0.52 -1.72 -0.07 0.00 -1.02 0.00 0.00 32.46 30.17 3k4j n ARG 150 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3k4j s ASN 151 N -3.59 4.56 -0.89 0.55 2.47 -1.24 -1.08 114.94 115.71 3k4j s ASN 151 Ca 0.34 -0.88 -0.02 0.00 0.42 0.00 0.00 52.86 52.72 3k4j s ASN 151 Cb 0.38 -0.63 0.22 0.00 -1.45 0.00 0.00 41.25 39.77 3k4j s ASN 151 CO -0.02 -0.37 0.78 -0.76 -3.72 0.00 0.00 177.10 173.01 3k4j s LEU 152 N -3.86 5.56 0.54 3.21 1.43 -1.26 -4.79 118.68 119.51 3k4j s LEU 152 Ca 0.39 -3.70 0.28 0.00 -1.03 0.00 0.00 54.13 50.07 3k4j s LEU 152 Cb -0.01 -1.91 1.55 0.00 0.03 0.00 0.00 46.19 45.85 3k4j s LEU 152 CO 0.22 -0.19 2.12 0.77 0.23 0.00 0.00 176.35 179.51 3k4j h SER 153 N 6.05 0.00 0.96 2.29 4.64 -1.76 -1.51 113.55 124.22 3k4j h SER 153 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3k4j h SER 153 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3k4j h SER 153 CO 0.85 0.09 -0.24 0.61 -0.87 0.00 0.00 176.83 177.27 3k4j n GLY 154 N -0.87 -1.47 3.73 -0.77 0.00 0.72 -4.84 105.19 101.70 3k4j n GLY 154 Ca -0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3k4j n GLY 154 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k4j s GLN 155 N -3.05 4.13 0.09 1.61 -1.52 -0.57 -3.48 119.66 116.87 3k4j s GLN 155 Ca 0.11 2.58 -0.06 0.00 -1.95 0.00 0.00 55.36 56.04 3k4j s GLN 155 Cb 0.16 -3.05 -0.02 0.00 -0.22 0.00 0.00 33.01 29.88 3k4j s GLN 155 CO 0.62 -0.69 0.13 0.00 -0.25 0.00 0.00 175.29 175.10 3k4j s ALA 156 N 0.62 0.10 0.18 6.09 0.00 -1.26 -1.21 121.76 126.28 3k4j s ALA 156 Ca 0.69 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.84 3k4j s ALA 156 Cb -0.49 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3k4j s ALA 156 CO 0.39 -0.48 -0.15 0.14 0.00 0.00 0.00 175.76 175.66 3k4j s VAL 157 N -3.91 1.64 -0.17 0.00 -7.23 0.43 -4.83 120.40 106.33 3k4j s VAL 157 Ca 0.09 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 3k4j s VAL 157 Cb 0.06 -1.89 0.02 0.00 0.56 0.00 0.00 36.38 35.13 3k4j s VAL 157 CO -0.08 -0.51 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.10 3k4j s THR 158 N -2.63 2.08 -0.65 5.32 2.01 -1.26 -1.01 115.64 119.50 3k4j s THR 158 Ca 0.18 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.24 3k4j s THR 158 Cb -0.02 -1.86 0.16 0.00 0.01 0.00 0.00 72.50 70.79 3k4j s THR 158 CO 0.06 0.54 0.45 -0.13 -0.69 0.00 0.00 174.62 174.84 3k4j s ARG 159 N 1.20 2.50 0.05 4.92 0.52 -1.26 -4.61 118.95 122.26 3k4j s ARG 159 Ca 0.03 -2.77 -0.13 0.00 -0.52 0.00 0.00 55.73 52.34 3k4j s ARG 159 Cb -0.14 -3.62 0.02 0.00 0.52 0.00 0.00 34.95 31.74 3k4j s ARG 159 CO -0.11 -1.18 0.28 0.14 0.02 0.00 0.00 175.30 174.45 3k4j s VAL 160 N -0.49 0.09 0.25 3.52 -7.23 -1.26 -4.24 120.40 111.04 3k4j s VAL 160 Ca 0.19 -0.73 -0.31 0.00 -1.81 0.00 0.00 61.98 59.33 3k4j s VAL 160 Cb -0.18 -0.95 -0.11 0.00 0.56 0.00 0.00 36.38 35.69 3k4j s VAL 160 CO -0.05 -0.40 1.63 -0.69 -0.31 0.00 0.00 175.10 175.28 3k4j s VAL 161 N -2.62 2.12 0.00 1.32 1.01 -0.26 -0.70 120.40 121.27 3k4j s VAL 161 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.03 3k4j s VAL 161 Cb -0.01 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.31 3k4j s VAL 161 CO -0.04 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.68 3k4j n GLY 162 N 2.97 1.81 7.00 4.51 0.00 -0.98 -4.34 105.19 116.17 3k4j n GLY 162 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3k4j n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4j n GLY 163 N -2.00 1.35 0.09 -0.02 0.00 0.12 -2.22 105.19 102.52 3k4j n GLY 163 Ca 0.00 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.54 3k4j n GLY 163 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3k4j n MET 164 N 3.50 0.16 0.00 1.61 2.81 -1.26 -2.65 117.12 121.29 3k4j n MET 164 Ca 0.00 0.31 0.07 0.00 -1.81 0.00 0.00 57.70 56.28 3k4j n MET 164 Cb 0.00 -1.77 0.38 0.00 -0.71 0.00 0.00 33.22 31.13 3k4j n MET 164 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3k4j n SER 165 N -2.07 0.00 0.17 7.83 3.41 -0.94 -1.45 113.62 120.58 3k4j n SER 165 Ca 0.04 0.06 0.13 0.00 -0.26 0.00 0.00 58.87 58.84 3k4j n SER 165 Cb 0.28 -0.28 0.45 0.00 -0.26 0.00 0.00 64.21 64.39 3k4j n SER 165 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3k4j h THR 166 N 0.00 0.00 0.00 6.66 1.35 -1.57 -3.38 112.91 115.97 3k4j h THR 166 Ca 0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3k4j h THR 166 Cb 0.14 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3k4j h THR 166 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3k4j n HIS 167 N -2.60 0.00 -0.73 4.73 1.44 -0.73 -0.82 115.22 116.52 3k4j n HIS 167 Ca 0.03 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.44 3k4j n HIS 167 Cb 0.36 0.00 0.18 0.00 0.12 0.00 0.00 29.99 30.65 3k4j n HIS 167 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 3k4j s TRP 168 N -0.12 1.66 -0.70 -1.40 1.48 -0.53 -4.94 118.94 114.39 3k4j s TRP 168 Ca 0.00 1.60 0.26 0.00 -1.06 0.00 0.00 56.10 56.90 3k4j s TRP 168 Cb 0.00 -3.25 0.85 0.00 -1.16 0.00 0.00 33.47 29.91 3k4j s TRP 168 CO 0.00 -2.98 1.77 2.41 -4.06 0.00 0.00 176.95 174.09 3k4j n THR 169 N -4.34 0.62 -1.12 0.66 -1.04 -1.26 -4.96 114.28 102.84 3k4j n THR 169 Ca 0.09 -0.20 -0.04 0.00 -2.04 0.00 0.00 64.05 61.86 3k4j n THR 169 Cb 0.53 -0.67 -0.02 0.00 -1.82 0.00 0.00 70.33 68.35 3k4j n THR 169 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k4j s ALA 171 N -2.05 3.61 -0.51 0.00 0.00 -1.26 -0.21 121.76 121.33 3k4j s ALA 171 Ca 0.00 0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.33 3k4j s ALA 171 Cb 0.00 -3.53 0.27 0.00 0.00 0.00 0.00 23.12 19.85 3k4j s ALA 171 CO 0.00 -0.95 0.68 0.25 0.00 0.00 0.00 175.76 175.73 3k4j n THR 172 N 5.11 1.02 -2.57 0.00 -2.24 -0.45 -4.80 114.28 110.35 3k4j n THR 172 Ca 0.12 -4.73 -0.34 0.00 -2.27 0.00 0.00 64.05 56.83 3k4j n THR 172 Cb 0.46 -1.83 -0.04 0.00 -2.10 0.00 0.00 70.33 66.82 3k4j n THR 172 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3k4j s PRO 173 N -2.05 3.85 0.56 -0.78 0.04 -1.26 -4.75 135.00 130.60 3k4j s PRO 173 Ca 0.39 1.35 -0.18 0.00 0.04 0.00 0.00 61.00 62.60 3k4j s PRO 173 Cb 0.19 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 3k4j s PRO 173 CO -0.07 -0.39 1.07 1.03 0.04 0.00 0.00 177.00 178.68 3k4j s ARG 174 N -3.21 3.42 0.04 4.56 0.52 -1.26 -4.71 118.95 118.31 3k4j s ARG 174 Ca 0.67 1.35 -0.22 0.00 -0.52 0.00 0.00 55.73 57.01 3k4j s ARG 174 Cb -0.16 -2.04 -0.06 0.00 0.52 0.00 0.00 34.95 33.22 3k4j s ARG 174 CO 0.19 -0.74 0.66 -0.06 0.02 0.00 0.00 175.30 175.37 3k4j s PHE 175 N -2.16 3.74 0.97 -0.53 0.40 -1.26 -5.02 117.98 114.11 3k4j s PHE 175 Ca 0.67 1.33 -0.14 0.00 -0.60 0.00 0.00 56.93 58.19 3k4j s PHE 175 Cb -0.18 -2.67 0.17 0.00 0.51 0.00 0.00 43.02 40.85 3k4j s PHE 175 CO 0.30 0.37 1.16 0.16 0.70 0.00 0.00 175.22 177.91 3k4j s ASP 176 N -0.36 3.01 0.23 1.36 -4.77 -1.26 -4.84 116.67 110.04 3k4j s ASP 176 Ca 0.33 0.81 -0.07 0.00 -3.30 0.00 0.00 52.55 50.32 3k4j s ASP 176 Cb -0.19 -1.25 0.39 0.00 -1.09 0.00 0.00 42.92 40.77 3k4j s ASP 176 CO 0.20 -2.84 1.68 0.03 0.70 0.00 0.00 175.17 174.94 3k4j h ARG 177 N -1.70 0.22 0.00 2.11 3.08 -1.98 -2.17 114.38 113.95 3k4j h ARG 177 Ca -0.49 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 3k4j h ARG 177 Cb 1.31 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 3k4j h ARG 177 CO 0.54 0.15 -0.01 1.49 -1.07 0.00 0.00 179.97 181.06 3k4j h GLU 178 N 0.23 0.00 0.00 0.04 4.81 -1.98 -2.40 114.58 115.28 3k4j h GLU 178 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 3k4j h GLU 178 Cb 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3k4j h GLU 178 CO -0.50 0.01 -0.89 1.04 -0.73 0.00 0.00 179.01 177.95 3k4j n GLN 179 N -3.92 0.08 -4.37 1.92 6.02 -0.84 -4.86 117.38 111.41 3k4j n GLN 179 Ca -0.03 -0.01 -0.35 0.00 -0.01 0.00 0.00 57.00 56.61 3k4j n GLN 179 Cb 0.10 -1.52 -0.10 0.00 1.02 0.00 0.00 30.24 29.74 3k4j n GLN 179 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3k4j s ARG 180 N -3.06 3.13 0.65 -1.09 3.52 -0.91 -4.56 118.95 116.64 3k4j s ARG 180 Ca 0.07 -0.43 -0.15 0.00 -0.13 0.00 0.00 55.73 55.09 3k4j s ARG 180 Cb 0.16 -2.82 -0.00 0.00 -1.56 0.00 0.00 34.95 30.72 3k4j s ARG 180 CO 0.81 0.61 1.11 -1.25 -0.81 0.00 0.00 175.30 175.77 3k4j s PRO 181 N -0.62 2.81 0.15 5.12 0.04 -1.26 -4.93 135.00 136.31 3k4j s PRO 181 Ca 0.10 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 3k4j s PRO 181 Cb -0.12 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 3k4j s PRO 181 CO 0.02 -1.25 1.19 -0.51 0.04 0.00 0.00 177.00 176.50 3k4j s LEU 182 N -4.82 4.43 -0.14 -3.56 1.43 -1.26 -4.93 118.68 109.83 3k4j s LEU 182 Ca 0.67 2.17 0.18 0.00 -1.03 0.00 0.00 54.13 56.12 3k4j s LEU 182 Cb -0.21 -3.60 -0.26 0.00 0.03 0.00 0.00 46.19 42.15 3k4j s LEU 182 CO 0.41 -0.39 0.17 0.18 0.23 0.00 0.00 176.35 176.95 3k4j n LEU 183 N 2.88 0.00 -4.14 1.79 4.77 -1.26 -4.91 117.00 116.13 3k4j n LEU 183 Ca 0.05 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.73 3k4j n LEU 183 Cb 0.45 0.34 -0.17 0.00 -2.33 0.00 0.00 43.42 41.71 3k4j n LEU 183 CO 0.56 0.34 -0.53 -0.69 -1.33 0.00 0.00 177.39 175.74 3k4j s VAL 184 N -2.73 1.77 0.29 4.08 1.01 -1.26 -5.02 120.40 118.54 3k4j s VAL 184 Ca -0.09 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 60.91 3k4j s VAL 184 Cb 0.08 -1.57 -0.09 0.00 0.00 0.00 0.00 36.38 34.81 3k4j s VAL 184 CO 0.80 0.50 0.70 -1.59 0.00 0.00 0.00 175.10 175.51 3k4j s LYS 185 N 0.64 4.02 -1.65 2.72 -2.85 -1.26 -4.38 119.74 116.98 3k4j s LYS 185 Ca -0.13 0.65 -0.02 0.00 -1.00 0.00 0.00 55.97 55.47 3k4j s LYS 185 Cb -0.16 -2.56 0.00 0.00 -2.06 0.00 0.00 37.83 33.05 3k4j s LYS 185 CO 0.04 0.23 0.30 -0.25 0.10 0.00 0.00 175.35 175.77 3k4j n ASP 186 N -0.10 -5.97 -3.14 0.03 8.00 -1.26 -4.93 116.55 109.18 3k4j n ASP 186 Ca 0.02 -0.15 0.03 0.00 0.71 0.00 0.00 54.79 55.39 3k4j n ASP 186 Cb 0.53 -4.88 -0.00 0.00 -0.02 0.00 0.00 41.12 36.74 3k4j n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3k4j s ASP 187 N -2.39 -1.39 0.27 -2.24 -1.08 -1.26 -5.05 116.67 103.54 3k4j s ASP 187 Ca 0.15 -0.26 0.02 0.00 -0.52 0.00 0.00 52.55 51.94 3k4j s ASP 187 Cb -0.07 1.81 0.38 0.00 -1.46 0.00 0.00 42.92 43.59 3k4j s ASP 187 CO 0.18 -0.20 1.71 0.00 0.52 0.00 0.00 175.17 177.37 3k4j h ALA 188 N 7.31 1.07 -0.60 3.66 0.00 -1.91 -1.32 119.26 127.46 3k4j h ALA 188 Ca 0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3k4j h ALA 188 Cb 1.19 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3k4j h ALA 188 CO 0.09 0.57 0.22 -0.44 0.00 0.00 0.00 179.25 179.69 3k4j h ASP 189 N 0.44 0.84 -0.47 0.00 5.19 -1.98 -0.87 116.42 119.56 3k4j h ASP 189 Ca 0.06 -0.18 -0.14 0.00 -0.62 0.00 0.00 57.03 56.15 3k4j h ASP 189 Cb 0.69 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 3k4j h ASP 189 CO 0.05 0.80 -0.24 0.00 -3.12 0.00 0.00 179.24 176.73 3k4j h ALA 190 N 1.07 0.66 -0.10 3.45 0.00 -1.92 -1.85 119.26 120.57 3k4j h ALA 190 Ca 0.20 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3k4j h ALA 190 Cb 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3k4j h ALA 190 CO -0.01 0.67 0.06 0.22 0.00 0.00 0.00 179.25 180.18 3k4j h ASP 191 N 0.84 0.10 -0.66 0.00 3.58 -1.09 -0.76 116.42 118.42 3k4j h ASP 191 Ca 0.10 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.61 3k4j h ASP 191 Cb 0.82 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.80 3k4j h ASP 191 CO 0.07 0.07 0.37 0.44 -2.88 0.00 0.00 179.24 177.32 3k4j h ASP 192 N 0.13 0.56 -0.79 2.28 3.32 -1.10 -1.45 116.42 119.36 3k4j h ASP 192 Ca 0.04 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3k4j h ASP 192 Cb -0.00 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 3k4j h ASP 192 CO -0.02 0.37 0.46 0.00 -1.72 0.00 0.00 179.24 178.33 3k4j h ALA 193 N 1.34 1.01 -0.31 3.45 0.00 -1.17 0.10 119.26 123.68 3k4j h ALA 193 Ca 0.29 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3k4j h ALA 193 Cb 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3k4j h ALA 193 CO -0.17 0.49 0.02 1.49 0.00 0.00 0.00 179.25 181.08 3k4j h GLU 194 N 1.08 0.53 -0.52 0.00 4.57 -0.76 -2.06 114.58 117.42 3k4j h GLU 194 Ca 0.28 -0.16 -0.07 0.00 -1.18 0.00 0.00 59.36 58.23 3k4j h GLU 194 Cb -0.01 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 3k4j h GLU 194 CO -0.05 0.66 0.05 -1.49 -1.18 0.00 0.00 179.01 177.00 3k4j h TRP 195 N 0.33 0.95 -0.76 0.92 4.06 -1.18 -1.87 115.95 118.40 3k4j h TRP 195 Ca 0.09 -0.14 -0.00 0.00 2.06 0.00 0.00 58.89 60.89 3k4j h TRP 195 Cb 0.41 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 28.28 3k4j h TRP 195 CO 0.03 0.86 0.47 0.22 -3.56 0.00 0.00 178.44 176.46 3k4j h ASP 196 N 0.76 0.91 -0.38 -3.49 3.58 -0.84 -0.52 116.42 116.43 3k4j h ASP 196 Ca 0.15 -0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.47 3k4j h ASP 196 Cb 0.45 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 3k4j h ASP 196 CO 0.02 0.70 -0.06 -0.09 -2.88 0.00 0.00 179.24 176.93 3k4j h ARG 197 N 1.04 0.72 -0.09 0.28 2.43 -1.21 -0.50 114.38 117.05 3k4j h ARG 197 Ca 0.27 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3k4j h ARG 197 Cb -0.05 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3k4j h ARG 197 CO -0.05 0.85 0.00 -0.07 -1.51 0.00 0.00 179.97 179.19 3k4j h LEU 198 N 0.53 0.15 -0.93 3.80 3.38 -1.10 -2.11 115.31 119.02 3k4j h LEU 198 Ca 0.10 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3k4j h LEU 198 Cb 0.56 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 3k4j h LEU 198 CO 0.03 0.41 0.61 1.88 0.09 0.00 0.00 178.44 181.47 3k4j h TYR 199 N -0.12 1.16 -0.48 1.13 0.05 -1.14 0.11 116.97 117.68 3k4j h TYR 199 Ca 0.02 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3k4j h TYR 199 Cb 0.33 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 3k4j h TYR 199 CO 0.03 0.72 0.32 1.15 -1.05 0.00 0.00 178.16 179.33 3k4j h THR 200 N 1.24 1.12 -0.34 -2.88 2.02 -0.96 0.12 112.91 113.23 3k4j h THR 200 Ca 0.35 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 3k4j h THR 200 Cb -0.11 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3k4j h THR 200 CO -0.09 0.12 0.09 0.50 0.37 0.00 0.00 175.52 176.52 3k4j h LYS 201 N 0.66 0.54 -0.99 6.66 3.64 -1.08 -1.93 116.57 124.07 3k4j h LYS 201 Ca 0.18 -0.13 0.10 0.00 -1.27 0.00 0.00 60.65 59.53 3k4j h LYS 201 Cb -0.08 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.59 3k4j h LYS 201 CO -0.04 0.59 0.63 0.00 -2.27 0.00 0.00 179.45 178.36 3k4j h ALA 202 N 0.93 1.51 -0.25 5.00 0.00 -0.72 -0.83 119.26 124.90 3k4j h ALA 202 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3k4j h ALA 202 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3k4j h ALA 202 CO -0.00 0.28 -0.34 0.93 0.00 0.00 0.00 179.25 180.12 3k4j h GLU 203 N 1.03 0.54 0.10 0.00 5.08 -0.53 -1.30 114.58 119.49 3k4j h GLU 203 Ca 0.47 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3k4j h GLU 203 Cb 0.39 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3k4j h GLU 203 CO -0.23 0.80 -0.11 1.03 -1.00 0.00 0.00 179.01 179.51 3k4j h SER 204 N 0.45 -0.30 -0.55 1.42 0.87 -0.55 0.23 113.55 115.12 3k4j h SER 204 Ca 0.05 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3k4j h SER 204 Cb 0.81 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.83 3k4j h SER 204 CO 0.07 -0.17 0.30 1.88 -0.53 0.00 0.00 176.83 178.38 3k4j h TYR 205 N -0.24 0.56 0.00 2.24 0.05 -0.85 -2.38 116.97 116.36 3k4j h TYR 205 Ca 0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3k4j h TYR 205 Cb 0.24 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.81 3k4j h TYR 205 CO -0.13 0.28 0.00 1.19 -1.05 0.00 0.00 178.16 178.46 3k4j n PHE 206 N -4.83 0.00 -3.77 4.88 3.72 -0.52 -4.04 117.46 112.90 3k4j n PHE 206 Ca 0.05 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.20 3k4j n PHE 206 Cb 0.13 -0.50 0.04 0.00 -0.94 0.00 0.00 39.48 38.21 3k4j n PHE 206 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3k4j n GLN 207 N -1.50 -5.48 -2.01 -1.08 1.13 0.65 -4.12 117.38 104.98 3k4j n GLN 207 Ca 0.07 0.64 -0.42 0.00 -1.94 0.00 0.00 57.00 55.35 3k4j n GLN 207 Cb 0.31 -5.39 -0.03 0.00 0.11 0.00 0.00 30.24 25.25 3k4j n GLN 207 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3k4j s THR 208 N -3.48 2.72 0.17 5.09 2.01 -0.30 -2.75 115.64 119.09 3k4j s THR 208 Ca 0.32 0.56 -0.01 0.00 0.31 0.00 0.00 61.69 62.87 3k4j s THR 208 Cb -0.16 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 3k4j s THR 208 CO 0.81 0.07 0.08 -0.83 -0.69 0.00 0.00 174.62 174.06 3k4j s GLY 209 N 0.68 1.21 -0.06 4.40 0.00 0.07 -4.92 107.32 108.70 3k4j s GLY 209 Ca 0.63 -1.59 0.09 0.00 0.00 0.00 0.00 44.72 43.86 3k4j s GLY 209 CO 0.38 -1.40 1.04 -1.30 0.00 0.00 0.00 173.10 171.82 3k4j n THR 210 N -0.19 1.00 -0.36 0.90 -2.24 -1.26 -1.10 114.28 111.03 3k4j n THR 210 Ca -0.03 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.57 3k4j n THR 210 Cb 0.65 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 3k4j n THR 210 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k4j n ASP 211 N -0.74 0.50 0.10 3.42 5.75 -1.26 -4.64 116.55 119.67 3k4j n ASP 211 Ca 0.08 -0.90 0.10 0.00 -0.01 0.00 0.00 54.79 54.06 3k4j n ASP 211 Cb 0.62 0.08 0.43 0.00 -1.03 0.00 0.00 41.12 41.23 3k4j n ASP 211 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k4j n GLN 212 N -0.08 0.13 -0.22 0.11 3.00 -1.26 -2.69 117.38 116.37 3k4j n GLN 212 Ca 0.00 0.42 0.08 0.00 -0.01 0.00 0.00 57.00 57.49 3k4j n GLN 212 Cb 0.09 -1.78 0.18 0.00 0.00 0.00 0.00 30.24 28.73 3k4j n GLN 212 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3k4j n PHE 213 N -2.03 0.40 0.27 1.08 3.01 -1.26 -4.80 117.46 114.12 3k4j n PHE 213 Ca 0.02 -0.88 0.13 0.00 1.01 0.00 0.00 57.45 57.73 3k4j n PHE 213 Cb 0.18 -0.20 0.77 0.00 -0.01 0.00 0.00 39.48 40.21 3k4j n PHE 213 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3k4j h LYS 214 N 0.83 0.00 -0.59 -1.08 2.10 -1.86 -1.84 116.57 114.14 3k4j h LYS 214 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3k4j h LYS 214 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3k4j h LYS 214 CO 0.09 0.09 0.00 0.39 -2.00 0.00 0.00 179.45 178.02 3k4j n GLU 215 N -3.70 4.83 -2.91 0.07 1.02 -1.26 -4.91 120.64 113.78 3k4j n GLU 215 Ca -0.02 -3.12 -0.41 0.00 -0.02 0.00 0.00 57.16 53.59 3k4j n GLU 215 Cb 0.20 -2.25 -0.04 0.00 -0.02 0.00 0.00 31.44 29.33 3k4j n GLU 215 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3k4j s SER 216 N -0.78 7.08 0.16 1.62 0.15 -0.69 -4.83 113.70 116.42 3k4j s SER 216 Ca 0.54 1.31 -0.14 0.00 0.70 0.00 0.00 55.95 58.36 3k4j s SER 216 Cb 0.41 -2.47 0.05 0.00 -1.71 0.00 0.00 66.02 62.30 3k4j s SER 216 CO 0.16 -0.24 1.78 0.40 1.20 0.00 0.00 173.24 176.54 3k4j h ILE 217 N 4.91 1.17 -0.46 6.45 2.04 -1.90 -2.46 117.51 127.26 3k4j h ILE 217 Ca -0.37 -0.42 -0.11 0.00 1.00 0.00 0.00 64.86 64.95 3k4j h ILE 217 Cb 1.18 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3k4j h ILE 217 CO 0.78 0.18 -0.17 0.03 0.00 0.00 0.00 178.15 178.97 3k4j h ARG 218 N 0.67 0.88 0.11 2.37 3.08 -1.92 0.27 114.38 119.84 3k4j h ARG 218 Ca 0.18 -0.34 0.01 0.00 0.07 0.00 0.00 59.98 59.90 3k4j h ARG 218 Cb 0.03 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3k4j h ARG 218 CO -0.03 0.98 -0.20 1.25 -1.07 0.00 0.00 179.97 180.91 3k4j h HIS 219 N 0.78 -0.51 -0.29 3.04 2.76 -1.78 -2.08 115.15 117.07 3k4j h HIS 219 Ca 0.11 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 3k4j h HIS 219 Cb 0.70 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.85 3k4j h HIS 219 CO 0.04 -0.29 0.12 -0.91 -1.30 0.00 0.00 177.93 175.59 3k4j h ASN 220 N -0.37 0.15 -0.73 3.26 2.35 -1.21 -0.83 115.58 118.21 3k4j h ASN 220 Ca 0.03 0.02 0.11 0.00 -0.55 0.00 0.00 56.30 55.91 3k4j h ASN 220 Cb 0.39 -0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.68 3k4j h ASN 220 CO -0.11 0.12 0.34 0.25 -1.65 0.00 0.00 177.43 176.39 3k4j h LEU 221 N 0.26 0.42 0.08 1.61 5.85 -0.15 0.32 115.31 123.70 3k4j h LEU 221 Ca 0.12 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3k4j h LEU 221 Cb 0.07 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3k4j h LEU 221 CO -0.11 0.22 -0.04 0.58 -0.34 0.00 0.00 178.44 178.75 3k4j h VAL 222 N 0.56 1.15 -0.40 1.05 2.07 -1.21 -3.04 116.25 116.43 3k4j h VAL 222 Ca 0.37 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3k4j h VAL 222 Cb 0.44 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 3k4j h VAL 222 CO -0.31 0.32 0.25 0.25 0.02 0.00 0.00 177.57 178.10 3k4j h LEU 223 N -0.81 0.47 -0.97 2.57 6.46 -0.84 -2.11 115.31 120.09 3k4j h LEU 223 Ca -0.01 -0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.63 3k4j h LEU 223 Cb 0.60 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 3k4j h LEU 223 CO 0.02 0.37 -0.16 0.78 -0.62 0.00 0.00 178.44 178.83 3k4j h ASN 224 N 0.54 0.56 -0.18 1.25 2.35 -0.49 -1.45 115.58 118.15 3k4j h ASN 224 Ca 0.15 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 3k4j h ASN 224 Cb -0.03 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 3k4j h ASN 224 CO -0.03 0.73 -0.08 0.50 -1.65 0.00 0.00 177.43 176.90 3k4j h LYS 225 N 0.51 0.37 -0.36 0.81 1.63 -1.40 -3.07 116.57 115.07 3k4j h LYS 225 Ca 0.09 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 3k4j h LYS 225 Cb 0.57 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 3k4j h LYS 225 CO 0.04 0.67 0.17 -0.07 -3.45 0.00 0.00 179.45 176.81 3k4j h LEU 226 N 0.06 0.47 -1.90 5.20 3.38 -1.07 -2.40 115.31 119.05 3k4j h LEU 226 Ca 0.04 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3k4j h LEU 226 Cb 0.56 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3k4j h LEU 226 CO 0.03 0.47 -0.12 0.00 0.09 0.00 0.00 178.44 178.91 3k4j h THR 227 N 0.44 0.61 -0.00 0.22 1.03 -1.35 -1.41 112.91 112.45 3k4j h THR 227 Ca 0.12 -0.53 -0.15 0.00 -0.01 0.00 0.00 66.41 65.84 3k4j h THR 227 Cb 0.13 1.34 -0.02 0.00 -1.07 0.00 0.00 68.15 68.53 3k4j h THR 227 CO -0.01 0.12 -0.72 -0.33 -0.01 0.00 0.00 175.52 174.57 3k4j h GLU 228 N 0.00 0.01 0.00 0.00 5.08 -1.33 -3.34 114.58 115.00 3k4j h GLU 228 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3k4j h GLU 228 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3k4j h GLU 228 CO 0.02 0.72 -0.62 0.39 -1.00 0.00 0.00 179.01 178.52 3k4j n GLU 229 N -3.69 0.27 -0.60 2.33 -0.58 -0.55 -4.02 120.64 113.79 3k4j n GLU 229 Ca -0.01 0.08 0.06 0.00 -0.42 0.00 0.00 57.16 56.87 3k4j n GLU 229 Cb 0.70 -1.67 0.30 0.00 -0.57 0.00 0.00 31.44 30.20 3k4j n GLU 229 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3k4j n TYR 230 N -2.06 1.42 -2.41 -0.32 4.02 -1.09 -4.97 117.16 111.74 3k4j n TYR 230 Ca 0.03 -0.52 -0.14 0.00 -0.01 0.00 0.00 57.90 57.26 3k4j n TYR 230 Cb 0.43 -0.33 -0.01 0.00 -0.02 0.00 0.00 39.34 39.41 3k4j n TYR 230 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3k4j n LYS 231 N 0.62 -2.08 -0.89 -0.72 5.02 -1.26 -1.19 118.16 117.68 3k4j n LYS 231 Ca 0.21 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 3k4j n LYS 231 Cb 0.87 -5.32 0.00 0.00 -0.02 0.00 0.00 35.03 30.56 3k4j n LYS 231 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k4j n GLY 232 N -0.85 0.77 0.00 0.72 0.00 -1.26 -4.84 105.19 99.73 3k4j n GLY 232 Ca -0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.95 3k4j n GLY 232 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k4j n GLN 233 N -2.00 0.11 -4.80 1.61 1.13 -0.33 -4.79 117.38 108.31 3k4j n GLN 233 Ca 0.00 -0.03 -0.25 0.00 -1.94 0.00 0.00 57.00 54.78 3k4j n GLN 233 Cb 0.00 -1.51 -0.16 0.00 0.11 0.00 0.00 30.24 28.68 3k4j n GLN 233 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3k4j s ARG 234 N -3.08 1.56 -0.12 -1.09 0.52 -1.25 -5.12 118.95 110.37 3k4j s ARG 234 Ca 0.06 -0.59 -0.10 0.00 -0.52 0.00 0.00 55.73 54.58 3k4j s ARG 234 Cb 0.16 -1.42 -0.05 0.00 0.52 0.00 0.00 34.95 34.16 3k4j s ARG 234 CO 0.85 0.29 0.20 -0.51 0.02 0.00 0.00 175.30 176.15 3k4j s ASP 235 N -0.14 6.44 -0.09 0.23 1.01 -1.26 -4.89 116.67 117.97 3k4j s ASP 235 Ca 0.01 0.52 0.01 0.00 0.71 0.00 0.00 52.55 53.81 3k4j s ASP 235 Cb -0.09 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 3k4j s ASP 235 CO 0.01 0.32 -0.13 -0.36 0.21 0.00 0.00 175.17 175.22 3k4j s PHE 236 N -0.64 2.78 0.30 4.23 0.40 -1.26 -4.18 117.98 119.61 3k4j s PHE 236 Ca 0.16 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.14 3k4j s PHE 236 Cb -0.13 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 3k4j s PHE 236 CO 0.05 0.03 0.33 1.14 0.70 0.00 0.00 175.22 177.46 3k4j s GLN 237 N -0.24 1.67 0.37 0.44 -2.07 -0.40 -5.01 119.66 114.42 3k4j s GLN 237 Ca 0.02 -1.78 -0.26 0.00 -1.82 0.00 0.00 55.36 51.51 3k4j s GLN 237 Cb -0.13 0.37 -0.09 0.00 -1.09 0.00 0.00 33.01 32.07 3k4j s GLN 237 CO 0.03 -0.64 1.20 -1.14 -1.32 0.00 0.00 175.29 173.42 3k4j s GLN 238 N -3.51 4.17 0.18 9.60 0.74 -1.26 -1.67 119.66 127.90 3k4j s GLN 238 Ca 0.35 1.95 -0.33 0.00 0.05 0.00 0.00 55.36 57.38 3k4j s GLN 238 Cb 0.02 -2.82 -0.13 0.00 1.10 0.00 0.00 33.01 31.18 3k4j s GLN 238 CO 0.20 -0.25 1.65 -0.89 -0.55 0.00 0.00 175.29 175.45 3k4j n ILE 239 N 0.35 0.02 -2.09 -2.34 5.41 0.67 -4.79 119.36 116.59 3k4j n ILE 239 Ca 0.03 -0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.35 3k4j n ILE 239 Cb 0.45 -1.75 -0.03 0.00 -0.71 0.00 0.00 39.64 37.60 3k4j n ILE 239 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3k4j s PRO 240 N 1.11 4.24 -0.05 0.38 0.02 -1.26 -4.75 135.00 134.69 3k4j s PRO 240 Ca 0.77 2.14 0.05 0.00 0.02 0.00 0.00 61.00 63.98 3k4j s PRO 240 Cb -0.60 -3.57 -0.01 0.00 0.02 0.00 0.00 34.50 30.35 3k4j s PRO 240 CO 0.36 -0.64 -0.20 -0.51 -0.33 0.00 0.00 177.00 175.67 3k4j s LEU 241 N 2.45 1.97 -0.88 -5.54 1.43 -0.26 -1.34 118.68 116.51 3k4j s LEU 241 Ca 0.68 -0.42 -0.23 0.00 -1.03 0.00 0.00 54.13 53.14 3k4j s LEU 241 Cb -0.35 -1.13 0.07 0.00 0.03 0.00 0.00 46.19 44.80 3k4j s LEU 241 CO 0.29 0.18 1.26 0.00 0.23 0.00 0.00 176.35 178.32 3k4j s ALA 242 N -0.00 2.93 -0.22 4.21 0.00 0.70 -0.75 121.76 128.63 3k4j s ALA 242 Ca -0.05 -2.12 -0.29 0.00 0.00 0.00 0.00 51.96 49.50 3k4j s ALA 242 Cb -0.13 -4.26 0.16 0.00 0.00 0.00 0.00 23.12 18.89 3k4j s ALA 242 CO 0.03 -3.27 1.17 0.00 0.00 0.00 0.00 175.76 173.69 3k4j s ALA 243 N 4.48 -2.03 -0.07 0.00 0.00 -1.11 -0.98 121.76 122.05 3k4j s ALA 243 Ca 0.37 1.74 -0.01 0.00 0.00 0.00 0.00 51.96 54.05 3k4j s ALA 243 Cb -0.05 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 21.97 3k4j s ALA 243 CO -0.01 -0.27 0.00 0.99 0.00 0.00 0.00 175.76 176.47 3k4j s THR 244 N -1.02 0.37 0.11 0.00 2.01 -0.67 -4.56 115.64 111.89 3k4j s THR 244 Ca 0.03 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 3k4j s THR 244 Cb -0.01 -0.54 -0.07 0.00 0.01 0.00 0.00 72.50 71.90 3k4j s THR 244 CO -0.03 0.25 1.19 -0.60 -0.69 0.00 0.00 174.62 174.74 3k4j s ARG 245 N 1.97 4.46 -0.18 4.92 3.52 -1.26 -0.91 118.95 131.48 3k4j s ARG 245 Ca 0.05 1.80 0.13 0.00 -0.13 0.00 0.00 55.73 57.58 3k4j s ARG 245 Cb -0.12 -3.31 -0.20 0.00 -1.56 0.00 0.00 34.95 29.75 3k4j s ARG 245 CO -0.05 -0.18 0.02 0.54 -0.81 0.00 0.00 175.30 174.82 3k4j n ARG 246 N 3.37 1.06 -3.98 5.12 5.12 -0.49 -4.91 116.66 121.95 3k4j n ARG 246 Ca 0.07 0.01 -0.12 0.00 -1.93 0.00 0.00 57.85 55.88 3k4j n ARG 246 Cb 0.46 -1.45 -0.02 0.00 -1.16 0.00 0.00 32.46 30.29 3k4j n ARG 246 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3k4j s SER 247 N -5.30 0.57 0.44 0.55 1.04 -0.97 -4.97 113.70 105.06 3k4j s SER 247 Ca -0.12 -1.35 0.30 0.00 0.48 0.00 0.00 55.95 55.26 3k4j s SER 247 Cb 0.06 0.74 1.51 0.00 0.10 0.00 0.00 66.02 68.42 3k4j s SER 247 CO 0.68 -1.45 1.91 -0.65 0.98 0.00 0.00 173.24 174.72 3k4j h PRO 248 N 2.07 0.00 0.00 4.02 0.11 -1.99 -2.87 132.00 133.33 3k4j h PRO 248 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3k4j h PRO 248 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3k4j h PRO 248 CO 0.39 0.00 -0.00 0.25 -0.21 0.00 0.00 178.00 178.43 3k4j n THR 249 N -2.60 1.27 -3.74 -1.15 -2.24 -1.26 -4.75 114.28 99.80 3k4j n THR 249 Ca -0.01 -1.39 -0.15 0.00 -2.27 0.00 0.00 64.05 60.24 3k4j n THR 249 Cb 0.13 0.27 -0.15 0.00 -2.10 0.00 0.00 70.33 68.47 3k4j n THR 249 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3k4j s PHE 250 N -1.59 -0.09 -0.09 4.78 2.19 -1.09 -4.93 117.98 117.17 3k4j s PHE 250 Ca 0.10 0.36 0.02 0.00 0.33 0.00 0.00 56.93 57.75 3k4j s PHE 250 Cb 0.09 -0.18 0.01 0.00 -1.31 0.00 0.00 43.02 41.63 3k4j s PHE 250 CO 0.01 -0.15 -0.16 0.08 1.83 0.00 0.00 175.22 176.82 3k4j s VAL 251 N 1.31 1.52 -0.63 3.12 1.01 -1.26 -1.40 120.40 124.07 3k4j s VAL 251 Ca -0.07 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 3k4j s VAL 251 Cb -0.12 -1.36 0.07 0.00 0.00 0.00 0.00 36.38 34.97 3k4j s VAL 251 CO -0.05 0.44 0.91 -0.70 0.00 0.00 0.00 175.10 175.70 3k4j s GLU 252 N 0.72 3.13 0.26 2.72 2.12 -0.09 -4.82 118.70 122.74 3k4j s GLU 252 Ca -0.12 -0.83 -0.30 0.00 0.36 0.00 0.00 54.97 54.08 3k4j s GLU 252 Cb -0.16 -4.20 -0.09 0.00 0.26 0.00 0.00 34.13 29.93 3k4j s GLU 252 CO 0.03 -1.71 1.08 -1.58 -0.54 0.00 0.00 175.26 172.54 3k4j s TRP 253 N 3.79 3.63 0.74 5.30 0.52 -1.26 -1.66 118.94 130.00 3k4j s TRP 253 Ca 0.21 1.71 -0.11 0.00 0.02 0.00 0.00 56.10 57.93 3k4j s TRP 253 Cb -0.17 -3.25 0.04 0.00 -1.15 0.00 0.00 33.47 28.94 3k4j s TRP 253 CO 0.11 -0.44 1.09 -1.12 0.02 0.00 0.00 176.95 176.61 3k4j s SER 254 N -0.78 5.03 0.28 2.95 0.01 -0.16 -4.50 113.70 116.54 3k4j s SER 254 Ca 0.45 1.26 -0.10 0.00 1.31 0.00 0.00 55.95 58.87 3k4j s SER 254 Cb -0.31 -2.05 0.04 0.00 0.21 0.00 0.00 66.02 63.91 3k4j s SER 254 CO 0.39 -1.62 0.56 -1.54 0.41 0.00 0.00 173.24 171.43 3k4j n SER 255 N -3.21 -1.63 -0.31 2.44 3.41 -1.26 -4.72 113.62 108.34 3k4j n SER 255 Ca 0.07 -2.16 0.16 0.00 -0.26 0.00 0.00 58.87 56.69 3k4j n SER 255 Cb 0.56 2.72 0.35 0.00 -0.26 0.00 0.00 64.21 67.58 3k4j n SER 255 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k4j h ALA 256 N 1.99 1.52 -0.66 7.33 0.00 -1.79 -1.32 119.26 126.34 3k4j h ALA 256 Ca -0.24 0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3k4j h ALA 256 Cb 0.89 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3k4j h ALA 256 CO 0.30 -0.48 0.44 -0.97 0.00 0.00 0.00 179.25 178.54 3k4j h ASN 257 N 0.28 0.59 -0.68 0.00 -0.73 -1.63 0.17 115.58 113.59 3k4j h ASN 257 Ca 0.61 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.71 3k4j h ASN 257 Cb 1.28 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.72 3k4j h ASN 257 CO -0.62 0.39 0.13 0.74 -0.37 0.00 0.00 177.43 177.70 3k4j h THR 258 N 0.68 1.26 -0.03 -3.57 2.02 -1.56 -3.02 112.91 108.68 3k4j h THR 258 Ca 0.28 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 3k4j h THR 258 Cb 0.25 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3k4j h THR 258 CO -0.09 0.39 -0.06 0.58 0.37 0.00 0.00 175.52 176.71 3k4j h VAL 259 N 1.05 1.44 -2.76 3.16 2.07 -0.88 -3.45 116.25 116.88 3k4j h VAL 259 Ca 0.21 -1.39 -0.14 0.00 0.82 0.00 0.00 66.70 66.20 3k4j h VAL 259 Cb 0.42 2.30 -0.27 0.00 -1.52 0.00 0.00 31.29 32.22 3k4j h VAL 259 CO 0.01 0.37 -0.35 0.12 0.02 0.00 0.00 177.57 177.74 3k4j s PHE 260 N -3.93 -0.52 -0.98 1.57 5.36 0.41 -4.76 117.98 115.13 3k4j s PHE 260 Ca -0.16 1.14 0.21 0.00 -0.96 0.00 0.00 56.93 57.16 3k4j s PHE 260 Cb 0.02 0.20 0.89 0.00 -0.34 0.00 0.00 43.02 43.79 3k4j s PHE 260 CO 0.70 -0.31 1.67 -0.40 -1.46 0.00 0.00 175.22 175.42 3k4j n ASP 261 N 4.26 0.04 -0.07 6.13 5.68 -1.18 -3.85 116.55 127.56 3k4j n ASP 261 Ca -0.24 0.51 -0.01 0.00 -0.50 0.00 0.00 54.79 54.55 3k4j n ASP 261 Cb 0.54 -0.52 -0.00 0.00 -1.14 0.00 0.00 41.12 40.00 3k4j n ASP 261 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3k4j n LEU 262 N -1.54 0.33 -4.77 -2.12 4.77 -1.26 -4.26 117.00 108.15 3k4j n LEU 262 Ca 0.05 0.02 -0.38 0.00 -0.03 0.00 0.00 56.01 55.67 3k4j n LEU 262 Cb 0.25 -1.39 -0.06 0.00 -2.33 0.00 0.00 43.42 39.89 3k4j n LEU 262 CO 0.20 -0.44 0.68 -1.10 -1.33 0.00 0.00 177.39 175.39 3k4j s GLN 263 N -1.06 4.66 0.51 3.23 -1.52 -1.26 -4.77 119.66 119.44 3k4j s GLN 263 Ca 0.00 1.47 -0.22 0.00 -1.95 0.00 0.00 55.36 54.65 3k4j s GLN 263 Cb 0.00 -3.00 -0.06 0.00 -0.22 0.00 0.00 33.01 29.73 3k4j s GLN 263 CO 0.00 0.32 1.29 -0.80 -0.25 0.00 0.00 175.29 175.86 3k4j s ASN 264 N -1.36 5.60 0.06 5.90 0.01 -1.26 -4.88 114.94 119.02 3k4j s ASN 264 Ca 0.47 2.61 0.05 0.00 -0.71 0.00 0.00 52.86 55.27 3k4j s ASN 264 Cb -0.23 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 38.77 3k4j s ASN 264 CO 0.29 -1.33 -0.13 -0.13 -1.51 0.00 0.00 177.10 174.29 3k4j s ARG 265 N -2.82 0.77 0.54 -0.60 0.52 -0.23 -4.28 118.95 112.85 3k4j s ARG 265 Ca 0.68 -0.90 -0.20 0.00 -0.52 0.00 0.00 55.73 54.79 3k4j s ARG 265 Cb -0.36 -0.74 -0.06 0.00 0.52 0.00 0.00 34.95 34.31 3k4j s ARG 265 CO 0.43 0.16 1.13 -1.25 0.02 0.00 0.00 175.30 175.79 3k4j s PRO 266 N -1.67 3.39 0.35 3.54 0.04 -0.26 -1.34 135.00 139.05 3k4j s PRO 266 Ca -0.03 1.61 0.04 0.00 0.04 0.00 0.00 61.00 62.65 3k4j s PRO 266 Cb -0.10 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 3k4j s PRO 266 CO 0.02 -0.82 0.37 0.54 0.04 0.00 0.00 177.00 177.15 3k4j s ASN 267 N -1.77 1.48 0.22 6.66 2.20 -1.04 -4.95 114.94 117.75 3k4j s ASN 267 Ca 0.72 -1.69 -0.08 0.00 -0.94 0.00 0.00 52.86 50.87 3k4j s ASN 267 Cb -0.24 0.62 0.21 0.00 -2.00 0.00 0.00 41.25 39.84 3k4j s ASN 267 CO 0.27 -1.18 1.88 0.74 -2.94 0.00 0.00 177.10 175.87 3k4j h THR 268 N 2.09 1.17 0.00 0.54 2.02 -1.98 -0.90 112.91 115.86 3k4j h THR 268 Ca -0.26 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 3k4j h THR 268 Cb 1.23 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3k4j h THR 268 CO 0.37 0.19 -0.24 0.44 0.37 0.00 0.00 175.52 176.65 3k4j h ASP 269 N 1.06 0.00 -1.89 4.18 3.32 -1.99 -3.38 116.42 117.73 3k4j h ASP 269 Ca 0.31 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.82 3k4j h ASP 269 Cb -0.06 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.12 3k4j h ASP 269 CO -0.09 0.24 -1.07 0.00 -1.72 0.00 0.00 179.24 176.60 3k4j n ALA 270 N -2.22 2.21 0.32 3.45 0.00 -0.43 -4.99 120.51 118.84 3k4j n ALA 270 Ca 0.01 -3.28 0.15 0.00 0.00 0.00 0.00 53.44 50.32 3k4j n ALA 270 Cb 0.47 -0.84 0.67 0.00 0.00 0.00 0.00 19.45 19.75 3k4j n ALA 270 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3k4j h PRO 271 N 4.01 0.00 -0.15 0.00 0.11 -1.50 -2.71 132.00 131.77 3k4j h PRO 271 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3k4j h PRO 271 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3k4j h PRO 271 CO 0.45 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.63 3k4j n GLU 272 N -2.65 2.92 -4.03 1.05 1.02 -1.26 -4.75 120.64 112.93 3k4j n GLU 272 Ca 0.00 -1.76 -0.27 0.00 -0.02 0.00 0.00 57.16 55.12 3k4j n GLU 272 Cb 0.21 -1.13 -0.05 0.00 -0.02 0.00 0.00 31.44 30.45 3k4j n GLU 272 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3k4j s GLU 273 N -1.05 3.08 -0.16 3.49 2.02 -1.07 -4.94 118.70 120.08 3k4j s GLU 273 Ca 0.10 -0.76 -0.02 0.00 0.02 0.00 0.00 54.97 54.32 3k4j s GLU 273 Cb 0.06 -2.76 0.05 0.00 0.10 0.00 0.00 34.13 31.57 3k4j s GLU 273 CO 0.07 0.51 0.01 1.03 0.02 0.00 0.00 175.26 176.89 3k4j s ARG 274 N -3.05 0.81 -0.17 1.61 0.52 -1.26 -1.11 118.95 116.29 3k4j s ARG 274 Ca 0.32 -0.32 -0.10 0.00 -0.52 0.00 0.00 55.73 55.11 3k4j s ARG 274 Cb -0.11 -1.81 0.06 0.00 0.52 0.00 0.00 34.95 33.61 3k4j s ARG 274 CO 0.25 -0.52 0.42 0.12 0.02 0.00 0.00 175.30 175.60 3k4j s PHE 275 N 1.84 -0.61 0.01 -0.53 5.36 -0.45 -2.20 117.98 121.41 3k4j s PHE 275 Ca 0.01 1.30 0.06 0.00 -0.96 0.00 0.00 56.93 57.34 3k4j s PHE 275 Cb -0.16 0.27 -0.02 0.00 -0.34 0.00 0.00 43.02 42.78 3k4j s PHE 275 CO -0.07 -0.34 -0.17 -0.80 -1.46 0.00 0.00 175.22 172.38 3k4j s ASN 276 N 1.30 2.05 -0.10 6.13 -0.87 -0.68 -1.07 114.94 121.70 3k4j s ASN 276 Ca -0.09 -0.38 0.01 0.00 -1.57 0.00 0.00 52.86 50.83 3k4j s ASN 276 Cb -0.08 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.25 40.93 3k4j s ASN 276 CO -0.12 0.17 -0.13 -0.22 -2.57 0.00 0.00 177.10 174.23 3k4j s LEU 277 N -0.71 2.76 -0.44 0.60 2.96 -1.26 -0.78 118.68 121.81 3k4j s LEU 277 Ca 0.06 -0.26 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3k4j s LEU 277 Cb -0.07 -1.60 0.12 0.00 0.50 0.00 0.00 46.19 45.14 3k4j s LEU 277 CO 0.00 0.24 0.20 -0.36 -1.32 0.00 0.00 176.35 175.12 3k4j s PHE 278 N -0.11 2.60 0.85 5.38 0.08 0.60 -4.97 117.98 122.41 3k4j s PHE 278 Ca -0.01 -2.68 -0.12 0.00 0.12 0.00 0.00 56.93 54.23 3k4j s PHE 278 Cb -0.14 -2.33 0.10 0.00 -0.57 0.00 0.00 43.02 40.09 3k4j s PHE 278 CO 0.03 -0.80 1.13 -2.14 -0.10 0.00 0.00 175.22 173.35 3k4j s PRO 279 N 0.35 1.65 -1.50 0.24 0.02 -1.26 -2.19 135.00 132.31 3k4j s PRO 279 Ca 0.16 0.36 -0.10 0.00 0.02 0.00 0.00 61.00 61.44 3k4j s PRO 279 Cb -0.24 -1.89 0.07 0.00 0.02 0.00 0.00 34.50 32.46 3k4j s PRO 279 CO -0.04 -1.86 0.82 0.00 -0.33 0.00 0.00 177.00 175.59 3k4j n ALA 280 N -3.55 -1.53 -3.93 -1.55 0.00 -0.11 -4.86 120.51 104.97 3k4j n ALA 280 Ca 0.07 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 3k4j n ALA 280 Cb 0.59 -3.38 -0.16 0.00 0.00 0.00 0.00 19.45 16.50 3k4j n ALA 280 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k4j s VAL 281 N -3.47 1.52 -0.19 0.00 1.01 -0.31 -0.53 120.40 118.43 3k4j s VAL 281 Ca 0.45 -1.26 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 3k4j s VAL 281 Cb -0.23 -1.82 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 3k4j s VAL 281 CO 0.85 -0.14 1.18 0.00 0.00 0.00 0.00 175.10 176.99 3k4j s ALA 282 N 1.39 3.67 -0.24 5.51 0.00 -0.22 -2.58 121.76 129.30 3k4j s ALA 282 Ca -0.05 0.35 -0.23 0.00 0.00 0.00 0.00 51.96 52.03 3k4j s ALA 282 Cb -0.19 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.32 3k4j s ALA 282 CO -0.07 -1.14 0.76 0.00 0.00 0.00 0.00 175.76 175.31 3k4j n GLU 284 N 5.78 1.59 -3.64 0.00 1.02 -0.21 -4.96 120.64 120.22 3k4j n GLU 284 Ca 0.03 -0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.11 3k4j n GLU 284 Cb 0.48 -1.37 -0.07 0.00 -0.02 0.00 0.00 31.44 30.46 3k4j n GLU 284 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3k4j s ARG 285 N -2.35 0.55 -0.05 3.49 3.52 -1.22 -4.71 118.95 118.18 3k4j s ARG 285 Ca -0.08 0.89 -0.11 0.00 -0.13 0.00 0.00 55.73 56.30 3k4j s ARG 285 Cb 0.04 0.14 -0.05 0.00 -1.56 0.00 0.00 34.95 33.53 3k4j s ARG 285 CO 0.58 -0.11 0.28 0.14 -0.81 0.00 0.00 175.30 175.39 3k4j s VAL 286 N 1.26 5.26 -0.35 7.11 -7.23 -1.26 -0.69 120.40 124.49 3k4j s VAL 286 Ca -0.07 0.50 -0.12 0.00 -1.81 0.00 0.00 61.98 60.48 3k4j s VAL 286 Cb -0.04 -3.57 -0.00 0.00 0.56 0.00 0.00 36.38 33.33 3k4j s VAL 286 CO -0.15 0.57 0.22 -0.69 -0.31 0.00 0.00 175.10 174.74 3k4j s VAL 287 N -1.09 5.02 0.29 1.32 1.01 0.01 -4.75 120.40 122.21 3k4j s VAL 287 Ca 0.21 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 3k4j s VAL 287 Cb -0.14 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 3k4j s VAL 287 CO 0.10 -0.07 1.02 -0.13 0.00 0.00 0.00 175.10 176.02 3k4j s ARG 288 N 1.67 4.65 1.26 2.72 0.52 -1.26 -0.91 118.95 127.58 3k4j s ARG 288 Ca 0.05 1.62 -0.20 0.00 -0.52 0.00 0.00 55.73 56.68 3k4j s ARG 288 Cb -0.18 -3.10 0.31 0.00 0.52 0.00 0.00 34.95 32.50 3k4j s ARG 288 CO 0.09 0.28 1.06 0.54 0.02 0.00 0.00 175.30 177.29 3k4j s ASN 289 N -1.14 0.43 0.30 0.23 4.22 -0.16 -4.87 114.94 113.95 3k4j s ASN 289 Ca 0.46 0.70 0.13 0.00 -2.14 0.00 0.00 52.86 52.01 3k4j s ASN 289 Cb -0.27 -0.98 0.41 0.00 1.28 0.00 0.00 41.25 41.68 3k4j s ASN 289 CO 0.35 -4.43 1.62 0.00 -2.04 0.00 0.00 177.10 172.59 3k4j h ALA 290 N -2.79 0.91 -0.01 3.54 0.00 -1.98 -3.04 119.26 115.89 3k4j h ALA 290 Ca -0.45 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.96 3k4j h ALA 290 Cb 1.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3k4j h ALA 290 CO 0.33 0.69 -0.18 -0.11 0.00 0.00 0.00 179.25 179.99 3k4j n LEU 291 N -3.63 0.75 -3.58 0.00 7.94 -1.26 -4.92 117.00 112.31 3k4j n LEU 291 Ca -0.01 -0.13 -0.23 0.00 -1.11 0.00 0.00 56.01 54.54 3k4j n LEU 291 Cb 0.61 -0.15 0.08 0.00 0.53 0.00 0.00 43.42 44.49 3k4j n LEU 291 CO 0.40 0.14 0.21 0.59 -1.11 0.00 0.00 177.39 177.62 3k4j n ASN 292 N -0.79 -5.26 0.00 1.96 3.02 -1.15 -4.90 115.26 108.15 3k4j n ASN 292 Ca 0.13 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 3k4j n ASN 292 Cb 0.31 -4.99 0.00 0.00 -0.61 0.00 0.00 39.78 34.49 3k4j n ASN 292 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3k4j n SER 293 N -3.04 0.30 -3.71 6.41 3.41 -1.26 -4.19 113.62 111.55 3k4j n SER 293 Ca -0.06 -0.45 -0.14 0.00 -0.26 0.00 0.00 58.87 57.96 3k4j n SER 293 Cb 0.59 0.97 -0.09 0.00 -0.26 0.00 0.00 64.21 65.42 3k4j n SER 293 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3k4j s GLU 294 N -1.03 0.63 0.01 4.33 2.12 -1.26 -1.31 118.70 122.19 3k4j s GLU 294 Ca 0.00 0.30 -0.28 0.00 0.36 0.00 0.00 54.97 55.35 3k4j s GLU 294 Cb 0.00 0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.65 3k4j s GLU 294 CO 0.00 -0.13 0.88 0.42 -0.54 0.00 0.00 175.26 175.88 3k4j s ILE 295 N -0.47 4.84 -0.08 -3.70 -1.09 -1.26 -0.98 121.20 118.46 3k4j s ILE 295 Ca -0.06 1.85 0.15 0.00 -2.23 0.00 0.00 60.65 60.37 3k4j s ILE 295 Cb -0.03 -4.22 -0.23 0.00 -1.58 0.00 0.00 42.46 36.39 3k4j s ILE 295 CO 0.03 0.23 0.23 -0.62 -1.23 0.00 0.00 174.94 173.58 3k4j n GLU 296 N 3.57 0.92 -3.77 2.79 -0.58 -0.09 -4.97 120.64 118.52 3k4j n GLU 296 Ca 0.03 -0.09 -0.03 0.00 -0.42 0.00 0.00 57.16 56.64 3k4j n GLU 296 Cb 0.51 -1.39 -0.01 0.00 -0.57 0.00 0.00 31.44 29.98 3k4j n GLU 296 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3k4j s SER 297 N -4.31 -0.14 -0.14 1.62 1.04 -1.26 -4.75 113.70 105.76 3k4j s SER 297 Ca -0.07 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 55.94 3k4j s SER 297 Cb 0.08 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.69 3k4j s SER 297 CO 0.66 -0.89 -0.19 -0.22 0.98 0.00 0.00 173.24 173.58 3k4j s LEU 298 N -3.01 1.98 -0.03 2.42 2.96 0.07 -0.81 118.68 122.26 3k4j s LEU 298 Ca 0.14 -0.56 -0.26 0.00 -0.22 0.00 0.00 54.13 53.22 3k4j s LEU 298 Cb -0.01 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 3k4j s LEU 298 CO 0.02 0.03 0.83 -1.00 -1.32 0.00 0.00 176.35 174.91 3k4j s HIS 299 N 1.04 3.63 0.13 5.38 3.76 0.13 -0.70 115.29 128.65 3k4j s HIS 299 Ca -0.03 1.47 0.07 0.00 -0.15 0.00 0.00 55.06 56.42 3k4j s HIS 299 Cb -0.15 -2.94 -0.04 0.00 1.11 0.00 0.00 32.58 30.57 3k4j s HIS 299 CO -0.05 0.06 -0.16 0.96 -0.85 0.00 0.00 174.74 174.70 3k4j s ILE 300 N 0.80 1.53 -0.19 0.60 -4.36 -0.40 -1.04 121.20 118.14 3k4j s ILE 300 Ca 0.44 -1.72 0.00 0.00 -0.26 0.00 0.00 60.65 59.12 3k4j s ILE 300 Cb -0.19 -1.59 0.04 0.00 1.25 0.00 0.00 42.46 41.96 3k4j s ILE 300 CO 0.23 -0.31 -0.09 -2.28 0.24 0.00 0.00 174.94 172.73 3k4j s HIS 301 N -1.88 2.23 -0.23 1.37 5.65 0.54 -1.02 115.29 121.95 3k4j s HIS 301 Ca 0.10 -1.46 -0.29 0.00 0.25 0.00 0.00 55.06 53.66 3k4j s HIS 301 Cb -0.06 -1.56 -0.01 0.00 -1.18 0.00 0.00 32.58 29.77 3k4j s HIS 301 CO 0.04 -0.71 1.33 0.34 -0.65 0.00 0.00 174.74 175.09 3k4j s ASP 302 N 1.46 6.74 0.46 9.88 -1.08 0.65 -1.05 116.67 133.73 3k4j s ASP 302 Ca -0.01 1.47 0.26 0.00 -0.52 0.00 0.00 52.55 53.75 3k4j s ASP 302 Cb -0.16 -2.54 0.86 0.00 -1.46 0.00 0.00 42.92 39.63 3k4j s ASP 302 CO -0.08 -0.97 1.80 -0.07 0.52 0.00 0.00 175.17 176.36 3k4j h LEU 303 N 10.50 0.00 0.00 -1.34 3.38 -1.12 0.15 115.31 126.89 3k4j h LEU 303 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3k4j h LEU 303 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 3k4j h LEU 303 CO 1.00 0.15 -0.14 0.40 0.09 0.00 0.00 178.44 179.94 3k4j h ILE 304 N 0.00 0.50 0.00 1.22 1.08 -1.91 -3.37 117.51 115.03 3k4j h ILE 304 Ca -0.00 -1.40 -0.17 0.00 -0.39 0.00 0.00 64.86 62.90 3k4j h ILE 304 Cb 0.79 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 3k4j h ILE 304 CO 0.02 0.17 -0.80 0.77 -0.69 0.00 0.00 178.15 177.62 3k4j h SER 305 N -1.00 0.00 0.00 1.72 4.64 -1.96 -3.47 113.55 113.48 3k4j h SER 305 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3k4j h SER 305 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3k4j h SER 305 CO -0.01 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 177.36 3k4j n GLY 306 N 1.08 0.92 3.82 -0.77 0.00 0.54 -5.04 105.19 105.74 3k4j n GLY 306 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3k4j n GLY 306 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k4j s ASP 307 N -2.97 6.67 -0.11 1.61 1.01 -1.23 -4.71 116.67 116.94 3k4j s ASP 307 Ca 0.00 1.70 -0.00 0.00 0.71 0.00 0.00 52.55 54.96 3k4j s ASP 307 Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 3k4j s ASP 307 CO 0.00 -0.55 -0.09 -0.13 0.21 0.00 0.00 175.17 174.62 3k4j s ARG 308 N -3.50 3.16 0.35 8.23 0.52 -1.26 -0.25 118.95 126.19 3k4j s ARG 308 Ca 0.62 -0.59 0.04 0.00 -0.52 0.00 0.00 55.73 55.27 3k4j s ARG 308 Cb -0.11 -2.67 -0.05 0.00 0.52 0.00 0.00 34.95 32.64 3k4j s ARG 308 CO 0.21 0.42 0.08 -0.06 0.02 0.00 0.00 175.30 175.97 3k4j s PHE 309 N -0.16 1.90 0.05 -0.53 0.08 -0.19 -5.00 117.98 114.13 3k4j s PHE 309 Ca 0.01 -1.06 0.07 0.00 0.12 0.00 0.00 56.93 56.07 3k4j s PHE 309 Cb -0.13 -1.25 -0.03 0.00 -0.57 0.00 0.00 43.02 41.04 3k4j s PHE 309 CO 0.03 -0.08 -0.19 -1.21 -0.10 0.00 0.00 175.22 173.67 3k4j s GLU 310 N -3.85 1.23 -0.06 0.44 2.02 -1.26 -1.28 118.70 115.95 3k4j s GLU 310 Ca 0.32 -0.92 0.03 0.00 0.02 0.00 0.00 54.97 54.42 3k4j s GLU 310 Cb 0.07 -1.33 0.01 0.00 0.10 0.00 0.00 34.13 32.97 3k4j s GLU 310 CO 0.15 0.33 -0.15 0.42 0.02 0.00 0.00 175.26 176.03 3k4j s ILE 311 N -0.86 1.30 -0.14 -1.63 -1.09 0.12 -4.94 121.20 113.95 3k4j s ILE 311 Ca 0.06 -0.60 -0.08 0.00 -2.23 0.00 0.00 60.65 57.80 3k4j s ILE 311 Cb -0.09 -1.15 -0.04 0.00 -1.58 0.00 0.00 42.46 39.60 3k4j s ILE 311 CO 0.02 0.39 0.14 -0.75 -1.23 0.00 0.00 174.94 173.50 3k4j s LYS 312 N 0.40 3.66 0.14 2.79 2.47 -1.26 -0.75 119.74 127.19 3k4j s LYS 312 Ca -0.11 -0.15 -0.04 0.00 -1.56 0.00 0.00 55.97 54.11 3k4j s LYS 312 Cb -0.14 -3.26 -0.03 0.00 -1.46 0.00 0.00 37.83 32.94 3k4j s LYS 312 CO 0.04 0.64 0.15 0.00 0.16 0.00 0.00 175.35 176.33 3k4j s ALA 313 N -0.63 0.51 0.10 3.13 0.00 -1.25 -0.91 121.76 122.70 3k4j s ALA 313 Ca 0.13 -1.23 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 3k4j s ALA 313 Cb -0.12 0.85 -0.19 0.00 0.00 0.00 0.00 23.12 23.67 3k4j s ALA 313 CO 0.02 -0.55 1.22 -0.44 0.00 0.00 0.00 175.76 176.01 3k4j h ASP 314 N 2.74 0.60 -3.69 0.00 3.32 -0.93 -3.47 116.42 115.00 3k4j h ASP 314 Ca -0.34 -0.53 -0.47 0.00 0.02 0.00 0.00 57.03 55.71 3k4j h ASP 314 Cb 1.21 -0.19 -0.32 0.00 0.22 0.00 0.00 39.33 40.25 3k4j h ASP 314 CO 0.55 1.36 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.93 3k4j s VAL 315 N -3.06 0.94 -0.15 -1.35 1.01 -0.46 -4.84 120.40 112.49 3k4j s VAL 315 Ca -0.06 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3k4j s VAL 315 Cb 0.08 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.61 3k4j s VAL 315 CO 0.89 0.30 -0.18 -0.31 0.00 0.00 0.00 175.10 175.79 3k4j s TYR 316 N 0.37 2.73 -0.15 5.22 1.51 -0.42 -1.55 117.35 125.06 3k4j s TYR 316 Ca -0.07 -1.18 0.01 0.00 -1.01 0.00 0.00 57.07 54.82 3k4j s TYR 316 Cb -0.12 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 39.88 3k4j s TYR 316 CO 0.02 -0.54 -0.19 0.08 -1.11 0.00 0.00 175.55 173.81 3k4j s VAL 317 N 0.82 2.34 -0.31 0.71 1.01 -0.20 -1.14 120.40 123.63 3k4j s VAL 317 Ca -0.06 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 60.97 3k4j s VAL 317 Cb -0.15 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.28 3k4j s VAL 317 CO -0.01 0.53 0.09 -0.76 0.00 0.00 0.00 175.10 174.95 3k4j s LEU 318 N 0.81 3.99 -0.39 3.92 1.43 0.30 -1.20 118.68 127.54 3k4j s LEU 318 Ca -0.06 -0.83 0.10 0.00 -1.03 0.00 0.00 54.13 52.31 3k4j s LEU 318 Cb -0.15 -1.88 0.43 0.00 0.03 0.00 0.00 46.19 44.62 3k4j s LEU 318 CO -0.01 -0.23 1.03 0.35 0.23 0.00 0.00 176.35 177.72 3k4j n THR 319 N 4.86 1.78 0.14 5.49 -2.24 0.18 -1.17 114.28 123.32 3k4j n THR 319 Ca -0.14 -4.19 0.09 0.00 -2.27 0.00 0.00 64.05 57.53 3k4j n THR 319 Cb 0.47 -0.47 0.25 0.00 -2.10 0.00 0.00 70.33 68.49 3k4j n THR 319 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4j n ALA 320 N -0.28 2.52 0.00 6.98 0.00 -1.10 -4.22 120.51 124.40 3k4j n ALA 320 Ca 0.26 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3k4j n ALA 320 Cb 0.72 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.20 3k4j n ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4j n GLY 321 N 1.31 0.71 0.34 0.00 0.00 -1.26 -4.13 105.19 102.16 3k4j n GLY 321 Ca 0.19 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3k4j n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4j h ALA 322 N 0.00 1.44 0.01 4.61 0.00 -1.91 0.12 119.26 123.54 3k4j h ALA 322 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3k4j h ALA 322 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3k4j h ALA 322 CO 0.00 0.49 -0.01 0.28 0.00 0.00 0.00 179.25 180.02 3k4j h VAL 323 N 0.97 1.52 0.00 0.00 2.07 -1.95 -3.34 116.25 115.52 3k4j h VAL 323 Ca 0.26 -1.96 -0.12 0.00 0.82 0.00 0.00 66.70 65.70 3k4j h VAL 323 Cb -0.06 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 3k4j h VAL 323 CO -0.05 0.48 -0.56 0.45 0.02 0.00 0.00 177.57 177.91 3k4j h HIS 324 N -0.91 0.00 -0.37 1.57 -0.00 -1.67 -1.82 115.15 111.95 3k4j h HIS 324 Ca -0.00 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.43 3k4j h HIS 324 Cb 0.80 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.15 3k4j h HIS 324 CO 0.21 0.56 -0.00 -0.91 -0.00 0.00 0.00 177.93 177.79 3k4j h ASN 325 N 0.00 -0.16 -0.70 2.45 2.35 -0.92 -1.48 115.58 117.12 3k4j h ASN 325 Ca -0.01 0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3k4j h ASN 325 Cb 1.39 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.87 3k4j h ASN 325 CO 0.07 -0.04 0.46 0.74 -1.65 0.00 0.00 177.43 177.01 3k4j h THR 326 N 0.10 1.15 -0.35 2.81 2.02 -1.60 -1.42 112.91 115.63 3k4j h THR 326 Ca 0.18 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 3k4j h THR 326 Cb 0.25 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3k4j h THR 326 CO -0.30 0.17 0.09 -0.61 0.37 0.00 0.00 175.52 175.24 3k4j h GLN 327 N 0.92 0.55 -0.77 6.66 4.15 -1.20 0.31 115.11 125.73 3k4j h GLN 327 Ca 0.26 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.51 3k4j h GLN 327 Cb -0.07 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.51 3k4j h GLN 327 CO -0.07 0.60 0.29 1.25 -1.93 0.00 0.00 178.83 178.96 3k4j h LEU 328 N 0.41 1.07 -0.07 -2.39 5.85 -0.90 0.12 115.31 119.41 3k4j h LEU 328 Ca 0.11 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3k4j h LEU 328 Cb 0.29 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3k4j h LEU 328 CO 0.00 0.96 0.01 -0.07 -0.34 0.00 0.00 178.44 179.00 3k4j h LEU 329 N 1.13 0.11 -1.33 2.25 3.38 -1.02 -2.35 115.31 117.47 3k4j h LEU 329 Ca 0.25 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3k4j h LEU 329 Cb 0.24 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3k4j h LEU 329 CO -0.02 0.35 0.14 0.58 0.09 0.00 0.00 178.44 179.59 3k4j h VAL 330 N -0.13 1.17 0.00 1.22 2.07 -0.74 -0.84 116.25 119.00 3k4j h VAL 330 Ca 0.02 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3k4j h VAL 330 Cb 0.29 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3k4j h VAL 330 CO 0.00 0.21 0.00 -3.20 0.02 0.00 0.00 177.57 174.60 3k4j n ASN 331 N -4.36 0.57 -1.21 0.57 5.15 0.01 -1.88 115.26 114.12 3k4j n ASN 331 Ca 0.03 0.64 0.10 0.00 -0.60 0.00 0.00 54.58 54.74 3k4j n ASN 331 Cb 0.16 -0.76 0.29 0.00 -0.53 0.00 0.00 39.78 38.94 3k4j n ASN 331 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3k4j n SER 332 N -2.13 3.83 0.00 1.20 7.64 -0.43 -4.88 113.62 118.85 3k4j n SER 332 Ca 0.02 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 57.83 3k4j n SER 332 Cb 0.23 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 3k4j n SER 332 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4j n GLY 333 N 1.28 0.74 3.86 0.23 0.00 -0.79 -4.72 105.19 105.79 3k4j n GLY 333 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 3k4j n GLY 333 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4j s PHE 334 N -2.45 3.50 0.00 1.61 0.40 -0.58 -4.84 117.98 115.62 3k4j s PHE 334 Ca 0.00 1.27 0.00 0.00 -0.60 0.00 0.00 56.93 57.60 3k4j s PHE 334 Cb 0.00 -2.80 0.00 0.00 0.51 0.00 0.00 43.02 40.73 3k4j s PHE 334 CO 0.00 -0.86 0.00 0.41 0.70 0.00 0.00 175.22 175.47 3k4j n GLY 335 N -2.68 2.86 3.28 4.36 0.00 0.27 -4.09 105.19 109.19 3k4j n GLY 335 Ca 0.06 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3k4j n GLY 335 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3k4j s GLN 336 N 0.00 0.76 0.34 1.61 -2.07 -1.26 -4.70 119.66 114.34 3k4j s GLN 336 Ca 0.00 -0.24 -0.17 0.00 -1.82 0.00 0.00 55.36 53.14 3k4j s GLN 336 Cb 0.00 0.34 -0.09 0.00 -1.09 0.00 0.00 33.01 32.16 3k4j s GLN 336 CO 0.00 -0.23 0.78 -0.51 -1.32 0.00 0.00 175.29 174.02 3k4j s LEU 337 N -1.54 4.06 0.00 2.60 1.43 -1.26 -4.68 118.68 119.28 3k4j s LEU 337 Ca -0.11 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 3k4j s LEU 337 Cb -0.03 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 42.04 3k4j s LEU 337 CO 0.02 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 176.99 3k4j n GLY 338 N -0.35 0.30 3.70 -3.19 0.00 0.21 -4.79 105.19 101.08 3k4j n GLY 338 Ca 0.04 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 3k4j n GLY 338 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k4j n ARG 339 N 0.50 2.63 -2.50 1.61 0.63 -1.26 -4.56 116.66 113.71 3k4j n ARG 339 Ca 0.00 0.95 -0.37 0.00 -0.92 0.00 0.00 57.85 57.51 3k4j n ARG 339 Cb 0.00 -2.78 -0.04 0.00 0.45 0.00 0.00 32.46 30.09 3k4j n ARG 339 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3k4j s PRO 340 N 1.30 4.17 -0.20 -0.14 0.04 -1.26 -5.04 135.00 133.87 3k4j s PRO 340 Ca 0.77 1.58 -0.02 0.00 0.04 0.00 0.00 61.00 63.37 3k4j s PRO 340 Cb -0.55 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.40 3k4j s PRO 340 CO 0.34 -0.16 -0.11 1.21 0.04 0.00 0.00 177.00 178.33 3k4j s ASN 341 N -1.45 3.82 0.43 6.66 3.04 -1.26 -5.02 114.94 121.16 3k4j s ASN 341 Ca 0.57 -0.49 0.11 0.00 0.04 0.00 0.00 52.86 53.09 3k4j s ASN 341 Cb -0.24 -1.63 0.99 0.00 -1.54 0.00 0.00 41.25 38.83 3k4j s ASN 341 CO 0.30 -0.00 2.03 1.55 -3.04 0.00 0.00 177.10 177.94 3k4j h PRO 342 N 7.97 0.41 0.13 0.43 0.13 -2.02 -2.09 132.00 136.96 3k4j h PRO 342 Ca -0.42 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.70 3k4j h PRO 342 Cb 1.16 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 3k4j h PRO 342 CO 0.61 0.27 -0.41 0.00 -0.23 0.00 0.00 178.00 178.25 3k4j h ALA 343 N 1.75 -0.73 -2.83 -0.56 0.00 -2.04 -3.38 119.26 111.48 3k4j h ALA 343 Ca 0.19 -0.07 -0.73 0.00 0.00 0.00 0.00 54.91 54.30 3k4j h ALA 343 Cb 0.24 0.68 -0.33 0.00 0.00 0.00 0.00 17.79 18.38 3k4j h ALA 343 CO -0.05 -0.97 0.01 1.21 0.00 0.00 0.00 179.25 179.45 3k4j s ASN 344 N -4.71 6.27 0.45 0.00 3.04 -0.79 -5.08 114.94 114.13 3k4j s ASN 344 Ca -0.16 -3.48 -0.20 0.00 0.04 0.00 0.00 52.86 49.06 3k4j s ASN 344 Cb 0.07 -2.00 -0.10 0.00 -1.54 0.00 0.00 41.25 37.69 3k4j s ASN 344 CO 0.63 -0.27 0.97 -2.16 -3.04 0.00 0.00 177.10 173.24 3k4j s PRO 345 N -1.01 4.10 0.34 0.43 0.05 -1.24 -4.45 135.00 133.22 3k4j s PRO 345 Ca 0.26 1.14 -0.28 0.00 0.05 0.00 0.00 61.00 62.17 3k4j s PRO 345 Cb -0.10 -2.16 -0.12 0.00 0.05 0.00 0.00 34.50 32.17 3k4j s PRO 345 CO -0.10 -0.15 1.34 -2.30 0.05 0.00 0.00 177.00 175.84 3k4j n PRO 346 N -0.85 2.24 0.09 0.56 -0.02 -1.26 -4.93 135.00 130.83 3k4j n PRO 346 Ca 0.07 0.79 -0.01 0.00 -2.02 0.00 0.00 63.50 62.33 3k4j n PRO 346 Cb 0.54 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.57 3k4j n PRO 346 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3k4j h GLU 347 N 2.76 0.00 -5.04 -0.52 5.08 -1.94 -3.37 114.58 111.54 3k4j h GLU 347 Ca -0.47 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.24 3k4j h GLU 347 Cb 1.27 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.29 3k4j h GLU 347 CO 0.64 0.59 -0.65 -1.17 -1.00 0.00 0.00 179.01 177.42 3k4j s LEU 348 N -6.38 3.30 -1.10 1.33 2.96 -1.26 -4.65 118.68 112.88 3k4j s LEU 348 Ca 0.02 -0.22 -0.20 0.00 -0.22 0.00 0.00 54.13 53.50 3k4j s LEU 348 Cb 0.08 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.92 3k4j s LEU 348 CO 0.78 0.02 0.76 0.18 -1.32 0.00 0.00 176.35 176.77 3k4j n LEU 349 N 4.55 -2.53 0.31 -0.68 4.77 -1.26 -0.56 117.00 121.60 3k4j n LEU 349 Ca -0.17 -1.01 0.20 0.00 -0.03 0.00 0.00 56.01 55.00 3k4j n LEU 349 Cb 0.52 -2.24 1.06 0.00 -2.33 0.00 0.00 43.42 40.43 3k4j n LEU 349 CO 0.31 0.43 1.16 1.55 -1.33 0.00 0.00 177.39 179.52 3k4j h PRO 350 N -1.75 0.00 -0.00 3.23 0.13 -1.83 -1.63 132.00 130.15 3k4j h PRO 350 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3k4j h PRO 350 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3k4j h PRO 350 CO 0.47 0.00 -0.22 0.43 -0.23 0.00 0.00 178.00 178.45 3k4j n SER 351 N -3.30 0.61 -4.71 1.44 7.64 -1.26 -4.84 113.62 109.20 3k4j n SER 351 Ca -0.02 -0.52 -0.42 0.00 1.01 0.00 0.00 58.87 58.92 3k4j n SER 351 Cb 0.15 0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 3k4j n SER 351 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3k4j n LEU 352 N -1.01 4.00 0.00 -3.43 7.94 -0.61 -2.10 117.00 121.79 3k4j n LEU 352 Ca 0.11 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 56.06 3k4j n LEU 352 Cb 0.32 -1.57 0.00 0.00 0.53 0.00 0.00 43.42 42.70 3k4j n LEU 352 CO 0.27 0.17 0.00 0.61 -1.11 0.00 0.00 177.39 177.33 3k4j n GLY 353 N 4.03 0.82 3.82 -3.96 0.00 0.76 -4.95 105.19 105.71 3k4j n GLY 353 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 3k4j n GLY 353 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4j s SER 354 N -2.79 5.08 -1.64 1.61 0.01 -0.89 -0.61 113.70 114.47 3k4j s SER 354 Ca 0.00 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.64 3k4j s SER 354 Cb 0.00 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 65.39 3k4j s SER 354 CO 0.00 -0.39 0.00 -1.22 0.41 0.00 0.00 173.24 172.04 3k4j n TYR 355 N -1.34 -0.86 -2.26 2.43 4.02 -0.69 -4.65 117.16 113.81 3k4j n TYR 355 Ca -0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.51 3k4j n TYR 355 Cb 0.61 -3.68 -0.01 0.00 -0.02 0.00 0.00 39.34 36.24 3k4j n TYR 355 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3k4j s ILE 356 N -2.93 3.13 0.01 -0.72 -4.36 -0.99 -4.46 121.20 110.88 3k4j s ILE 356 Ca 0.00 0.80 0.04 0.00 -0.26 0.00 0.00 60.65 61.23 3k4j s ILE 356 Cb 0.00 -3.38 -0.01 0.00 1.25 0.00 0.00 42.46 40.31 3k4j s ILE 356 CO 0.00 -0.06 -0.13 0.42 0.24 0.00 0.00 174.94 175.42 3k4j s THR 357 N -1.62 0.99 -0.00 8.37 -4.23 -0.60 -4.53 115.64 114.01 3k4j s THR 357 Ca 0.66 -0.69 -0.03 0.00 -1.18 0.00 0.00 61.69 60.45 3k4j s THR 357 Cb -0.27 -0.85 -0.00 0.00 1.34 0.00 0.00 72.50 72.71 3k4j s THR 357 CO 0.32 0.16 0.06 -0.70 -0.54 0.00 0.00 174.62 173.92 3k4j s GLU 358 N -0.60 0.28 0.35 3.99 2.56 -1.26 0.09 118.70 124.11 3k4j s GLU 358 Ca 0.03 -0.28 -0.22 0.00 0.00 0.00 0.00 54.97 54.50 3k4j s GLU 358 Cb -0.06 0.11 -0.10 0.00 2.00 0.00 0.00 34.13 36.08 3k4j s GLU 358 CO 0.00 -0.05 0.89 -0.65 -0.56 0.00 0.00 175.26 174.89 3k4j s GLN 359 N -0.88 4.33 0.27 4.30 -0.21 -1.26 -4.55 119.66 121.65 3k4j s GLN 359 Ca -0.10 1.11 -0.29 0.00 0.02 0.00 0.00 55.36 56.10 3k4j s GLN 359 Cb -0.06 -2.51 -0.09 0.00 1.00 0.00 0.00 33.01 31.35 3k4j s GLN 359 CO 0.00 0.15 0.98 -1.12 -2.12 0.00 0.00 175.29 173.18 3k4j s SER 360 N -1.93 7.49 -0.06 5.90 0.01 -1.25 -4.62 113.70 119.25 3k4j s SER 360 Ca 0.55 2.00 0.01 0.00 1.31 0.00 0.00 55.95 59.81 3k4j s SER 360 Cb -0.13 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.51 3k4j s SER 360 CO 0.18 0.04 -0.05 -0.22 0.41 0.00 0.00 173.24 173.60 3k4j s LEU 361 N -1.42 1.24 0.15 2.44 2.96 -1.26 -0.89 118.68 121.90 3k4j s LEU 361 Ca 0.44 -0.16 0.08 0.00 -0.22 0.00 0.00 54.13 54.28 3k4j s LEU 361 Cb -0.26 -0.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 3k4j s LEU 361 CO 0.32 -0.07 -0.11 0.68 -1.32 0.00 0.00 176.35 175.86 3k4j s VAL 362 N 1.11 3.19 -0.07 1.68 -7.23 -0.58 -0.98 120.40 117.51 3k4j s VAL 362 Ca -0.08 -1.54 -0.11 0.00 -1.81 0.00 0.00 61.98 58.45 3k4j s VAL 362 Cb -0.14 -2.54 0.02 0.00 0.56 0.00 0.00 36.38 34.28 3k4j s VAL 362 CO -0.01 -0.03 0.27 0.12 -0.31 0.00 0.00 175.10 175.14 3k4j s PHE 363 N -1.51 -0.24 0.30 2.82 5.36 -0.05 -1.59 117.98 123.07 3k4j s PHE 363 Ca 0.23 0.54 -0.11 0.00 -0.96 0.00 0.00 56.93 56.63 3k4j s PHE 363 Cb -0.10 0.08 0.01 0.00 -0.34 0.00 0.00 43.02 42.68 3k4j s PHE 363 CO 0.14 -0.22 0.54 0.00 -1.46 0.00 0.00 175.22 174.23 3k4j s GLN 365 N -3.50 1.28 0.23 0.00 -0.21 -0.67 -0.32 119.66 116.47 3k4j s GLN 365 Ca 0.23 -1.37 0.11 0.00 0.02 0.00 0.00 55.36 54.35 3k4j s GLN 365 Cb -0.02 -1.44 -0.05 0.00 1.00 0.00 0.00 33.01 32.50 3k4j s GLN 365 CO 0.12 0.31 -0.22 0.95 -2.12 0.00 0.00 175.29 174.33 3k4j s THR 366 N -1.75 2.35 -0.22 -0.19 -4.23 0.49 -0.38 115.64 111.72 3k4j s THR 366 Ca 0.14 -2.18 -0.06 0.00 -1.18 0.00 0.00 61.69 58.41 3k4j s THR 366 Cb -0.07 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 3k4j s THR 366 CO 0.07 -0.26 0.03 -0.69 -0.54 0.00 0.00 174.62 173.22 3k4j s VAL 367 N -2.08 4.11 0.39 2.29 1.01 -0.29 -1.61 120.40 124.22 3k4j s VAL 367 Ca 0.24 -0.25 -0.27 0.00 0.00 0.00 0.00 61.98 61.70 3k4j s VAL 367 Cb -0.06 -2.88 -0.11 0.00 0.00 0.00 0.00 36.38 33.33 3k4j s VAL 367 CO 0.12 0.40 1.29 0.80 0.00 0.00 0.00 175.10 177.70 3k4j n MET 368 N 4.45 2.04 -1.66 2.72 1.56 0.56 -3.10 117.12 123.69 3k4j n MET 368 Ca -0.17 0.72 -0.32 0.00 -0.27 0.00 0.00 57.70 57.66 3k4j n MET 368 Cb 0.52 -2.38 0.05 0.00 2.15 0.00 0.00 33.22 33.56 3k4j n MET 368 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 3k4j s SER 369 N -0.43 5.19 0.33 6.12 1.04 -0.03 -4.88 113.70 121.04 3k4j s SER 369 Ca 0.58 1.82 0.03 0.00 0.48 0.00 0.00 55.95 58.86 3k4j s SER 369 Cb -0.53 -2.53 0.62 0.00 0.10 0.00 0.00 66.02 63.69 3k4j s SER 369 CO 0.60 -1.57 1.96 0.74 0.98 0.00 0.00 173.24 175.94 3k4j h THR 370 N -0.33 1.08 -0.63 2.02 2.02 -1.92 -1.30 112.91 113.86 3k4j h THR 370 Ca -0.45 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.37 3k4j h THR 370 Cb 1.23 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 3k4j h THR 370 CO 0.55 0.16 0.21 -0.08 0.37 0.00 0.00 175.52 176.74 3k4j h GLU 371 N 0.90 0.97 -0.10 6.66 4.81 -1.95 -0.57 114.58 125.31 3k4j h GLU 371 Ca 0.32 -0.20 -0.24 0.00 -0.13 0.00 0.00 59.36 59.11 3k4j h GLU 371 Cb 0.13 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.38 3k4j h GLU 371 CO -0.10 0.85 -0.88 -0.07 -0.73 0.00 0.00 179.01 178.08 3k4j h LEU 372 N 0.90 0.93 -0.34 1.64 3.38 -1.77 -1.61 115.31 118.44 3k4j h LEU 372 Ca 0.21 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 3k4j h LEU 372 Cb 0.27 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3k4j h LEU 372 CO -0.01 1.46 0.07 0.40 0.09 0.00 0.00 178.44 180.44 3k4j h ILE 373 N 0.49 1.23 -0.62 1.22 1.08 -1.06 -1.72 117.51 118.12 3k4j h ILE 373 Ca -0.08 -0.80 0.05 0.00 -0.39 0.00 0.00 64.86 63.64 3k4j h ILE 373 Cb 1.52 1.10 -0.04 0.00 -3.07 0.00 0.00 36.82 36.33 3k4j h ILE 373 CO 0.18 0.27 0.41 0.44 -0.69 0.00 0.00 178.15 178.75 3k4j h ASP 374 N 0.40 0.58 0.33 1.72 3.32 -1.11 -2.31 116.42 119.34 3k4j h ASP 374 Ca 0.10 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3k4j h ASP 374 Cb 0.33 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3k4j h ASP 374 CO 0.00 0.39 -0.27 0.77 -1.72 0.00 0.00 179.24 178.42 3k4j h SER 375 N 0.67 0.00 -0.92 6.45 4.64 -0.37 -2.42 113.55 121.60 3k4j h SER 375 Ca 0.26 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.74 3k4j h SER 375 Cb 0.18 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.19 3k4j h SER 375 CO -0.07 0.27 0.59 0.58 -0.87 0.00 0.00 176.83 177.32 3k4j h VAL 376 N 0.00 0.80 -0.36 0.95 2.07 -1.09 -2.19 116.25 116.42 3k4j h VAL 376 Ca -0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3k4j h VAL 376 Cb 0.50 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3k4j h VAL 376 CO 0.03 0.12 0.00 2.29 0.02 0.00 0.00 177.57 180.04 3k4j n LYS 377 N -4.58 3.14 0.30 1.57 2.85 -0.94 -4.70 118.16 115.80 3k4j n LYS 377 Ca 0.19 -2.62 0.16 0.00 -1.05 0.00 0.00 58.31 54.99 3k4j n LYS 377 Cb 0.51 -1.69 0.95 0.00 -0.65 0.00 0.00 35.03 34.15 3k4j n LYS 377 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3k4j h SER 378 N 2.33 0.00 0.17 -5.58 4.64 -1.10 -2.01 113.55 112.00 3k4j h SER 378 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k4j h SER 378 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3k4j h SER 378 CO 0.17 0.01 -0.27 0.47 -0.87 0.00 0.00 176.83 176.34 3k4j n ASP 379 N -3.70 1.27 -4.82 4.97 8.00 -1.26 -4.92 116.55 116.09 3k4j n ASP 379 Ca -0.03 -1.07 -0.38 0.00 0.71 0.00 0.00 54.79 54.03 3k4j n ASP 379 Cb 0.10 0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 3k4j n ASP 379 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3k4j s MET 380 N -2.44 4.14 -0.23 -1.24 -1.94 -0.76 -4.57 119.30 112.25 3k4j s MET 380 Ca 0.25 0.68 -0.15 0.00 -1.71 0.00 0.00 55.69 54.75 3k4j s MET 380 Cb 0.19 -3.14 -0.04 0.00 2.01 0.00 0.00 34.83 33.86 3k4j s MET 380 CO 0.51 0.58 0.39 0.99 -0.01 0.00 0.00 175.02 177.48 3k4j s THR 381 N -1.23 5.19 -0.15 2.05 2.01 0.88 -4.94 115.64 119.44 3k4j s THR 381 Ca 0.32 0.64 0.00 0.00 0.31 0.00 0.00 61.69 62.97 3k4j s THR 381 Cb -0.18 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.64 3k4j s THR 381 CO 0.19 0.21 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.56 3k4j s ILE 382 N 1.67 1.56 0.01 1.82 1.01 -1.26 -1.63 121.20 124.38 3k4j s ILE 382 Ca 0.17 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.20 3k4j s ILE 382 Cb -0.15 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 3k4j s ILE 382 CO 0.09 0.43 -0.13 -0.13 0.00 0.00 0.00 174.94 175.19 3k4j s ARG 383 N 1.49 0.98 0.73 2.79 0.52 -0.67 -5.01 118.95 119.78 3k4j s ARG 383 Ca 0.04 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 3k4j s ARG 383 Cb -0.13 -0.96 0.00 0.00 0.52 0.00 0.00 34.95 34.38 3k4j s ARG 383 CO -0.10 0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.88 3k4j n GLY 384 N 2.41 -2.02 3.48 -3.53 0.00 -1.26 -0.81 105.19 103.46 3k4j n GLY 384 Ca -0.16 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 3k4j n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k4j s THR 385 N -0.03 3.39 0.14 2.61 2.01 -1.26 -4.88 115.64 117.62 3k4j s THR 385 Ca 0.00 -0.57 -0.35 0.00 0.31 0.00 0.00 61.69 61.08 3k4j s THR 385 Cb 0.00 -2.40 -0.15 0.00 0.01 0.00 0.00 72.50 69.96 3k4j s THR 385 CO 0.00 0.56 1.40 -2.65 -0.69 0.00 0.00 174.62 173.24 3k4j n PRO 386 N 2.82 1.59 -0.00 4.92 -0.02 -1.26 -2.19 135.00 140.86 3k4j n PRO 386 Ca -0.18 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3k4j n PRO 386 Cb 0.53 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3k4j n PRO 386 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4j n GLY 387 N 2.71 0.90 3.96 -1.23 0.00 -1.26 -5.01 105.19 105.26 3k4j n GLY 387 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3k4j n GLY 387 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4j s GLU 388 N -0.70 3.22 0.50 1.61 8.01 -0.93 -5.01 118.70 125.41 3k4j s GLU 388 Ca 0.00 -0.56 0.15 0.00 0.01 0.00 0.00 54.97 54.57 3k4j s GLU 388 Cb 0.00 -2.66 1.20 0.00 -4.31 0.00 0.00 34.13 28.36 3k4j s GLU 388 CO 0.00 -0.04 2.13 -0.07 0.01 0.00 0.00 175.26 177.29 3k4j h LEU 389 N 0.65 0.08 -1.02 1.80 3.38 -1.96 -2.64 115.31 115.60 3k4j h LEU 389 Ca -0.48 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3k4j h LEU 389 Cb 1.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3k4j h LEU 389 CO 0.58 0.06 -0.27 0.35 0.09 0.00 0.00 178.44 179.25 3k4j n THR 390 N -4.52 0.00 -1.77 0.22 -2.24 -1.26 -4.95 114.28 99.76 3k4j n THR 390 Ca -0.01 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 3k4j n THR 390 Cb 0.11 0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 3k4j n THR 390 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3k4j s TYR 391 N -2.34 2.42 0.01 4.78 5.04 -1.00 -4.46 117.35 121.80 3k4j s TYR 391 Ca 0.24 0.16 -0.08 0.00 -2.44 0.00 0.00 57.07 54.96 3k4j s TYR 391 Cb 0.19 -4.12 0.00 0.00 0.35 0.00 0.00 41.96 38.39 3k4j s TYR 391 CO 0.48 -4.47 0.14 -1.54 -1.34 0.00 0.00 175.55 168.82 3k4j s SER 392 N 2.22 0.03 -0.14 4.32 1.04 0.01 -5.00 113.70 116.16 3k4j s SER 392 Ca 0.78 -0.22 -0.01 0.00 0.48 0.00 0.00 55.95 56.98 3k4j s SER 392 Cb -0.46 0.21 0.04 0.00 0.10 0.00 0.00 66.02 65.91 3k4j s SER 392 CO 0.34 -0.39 -0.03 -0.69 0.98 0.00 0.00 173.24 173.45 3k4j s VAL 393 N -1.47 0.86 0.07 5.02 1.01 -1.26 -1.66 120.40 122.97 3k4j s VAL 393 Ca -0.14 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3k4j s VAL 393 Cb -0.07 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 3k4j s VAL 393 CO 0.01 0.15 -0.07 0.42 0.00 0.00 0.00 175.10 175.61 3k4j s THR 394 N 1.75 0.64 0.18 3.92 -4.23 -0.64 -4.96 115.64 112.29 3k4j s THR 394 Ca 0.02 -1.50 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 3k4j s THR 394 Cb -0.14 -1.15 -0.05 0.00 1.34 0.00 0.00 72.50 72.50 3k4j s THR 394 CO -0.07 -0.61 0.02 -0.72 -0.54 0.00 0.00 174.62 172.69 3k4j s TYR 395 N -2.46 1.24 -0.41 3.99 1.13 -1.26 -0.09 117.35 119.50 3k4j s TYR 395 Ca 0.01 -1.06 -0.13 0.00 -1.41 0.00 0.00 57.07 54.49 3k4j s TYR 395 Cb -0.03 -0.71 0.04 0.00 -1.10 0.00 0.00 41.96 40.17 3k4j s TYR 395 CO -0.02 -0.25 0.27 0.99 -2.51 0.00 0.00 175.55 174.03 3k4j s THR 396 N -3.69 4.82 0.44 -3.49 2.01 -1.26 -5.05 115.64 109.41 3k4j s THR 396 Ca 0.26 -0.92 -0.23 0.00 0.31 0.00 0.00 61.69 61.11 3k4j s THR 396 Cb 0.06 -3.75 -0.10 0.00 0.01 0.00 0.00 72.50 68.72 3k4j s THR 396 CO 0.05 -0.35 0.98 -2.65 -0.69 0.00 0.00 174.62 171.96 3k4j n PRO 397 N 5.06 1.26 -0.27 4.92 -0.02 -1.26 -2.58 135.00 142.10 3k4j n PRO 397 Ca -0.11 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3k4j n PRO 397 Cb 0.45 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3k4j n PRO 397 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4j n GLY 398 N 1.23 1.36 3.73 -1.23 0.00 -1.26 -4.95 105.19 104.08 3k4j n GLY 398 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3k4j n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4j n ALA 399 N 0.61 1.93 0.12 4.61 0.00 -1.07 -4.87 120.51 121.85 3k4j n ALA 399 Ca 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.78 3k4j n ALA 399 Cb 0.00 -2.36 0.12 0.00 0.00 0.00 0.00 19.45 17.21 3k4j n ALA 399 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k4j h SER 400 N 3.47 0.05 0.38 0.00 4.64 -1.92 -2.24 113.55 117.93 3k4j h SER 400 Ca -0.48 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3k4j h SER 400 Cb 1.25 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3k4j h SER 400 CO 0.69 0.71 0.00 0.35 -0.87 0.00 0.00 176.83 177.71 3k4j n THR 401 N -3.75 0.09 -2.00 2.95 -2.24 -1.26 -4.80 114.28 103.27 3k4j n THR 401 Ca -0.01 0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 3k4j n THR 401 Cb 0.66 -0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 3k4j n THR 401 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3k4j s ASN 402 N -2.43 6.62 0.29 3.42 0.01 -0.85 -4.93 114.94 117.09 3k4j s ASN 402 Ca 0.30 2.78 0.16 0.00 -0.71 0.00 0.00 52.86 55.38 3k4j s ASN 402 Cb 0.19 -2.65 0.10 0.00 0.41 0.00 0.00 41.25 39.30 3k4j s ASN 402 CO 0.39 -0.68 1.46 0.11 -1.51 0.00 0.00 177.10 176.88 3k4j h LYS 403 N 3.82 0.00 -6.20 -0.60 1.79 -1.89 -3.47 116.57 110.02 3k4j h LYS 403 Ca -0.48 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.42 3k4j h LYS 403 Cb 1.23 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.68 3k4j h LYS 403 CO 0.69 0.46 -0.81 -1.01 -1.08 0.00 0.00 179.45 177.70 3k4j s HIS 404 N -2.99 1.91 0.81 -1.35 3.76 -1.26 -5.14 115.29 111.03 3k4j s HIS 404 Ca 0.04 -0.43 -0.11 0.00 -0.15 0.00 0.00 55.06 54.42 3k4j s HIS 404 Cb 0.07 -1.00 0.08 0.00 1.11 0.00 0.00 32.58 32.85 3k4j s HIS 404 CO 0.74 0.30 1.09 -1.25 -0.85 0.00 0.00 174.74 174.77 3k4j s PRO 405 N -2.34 1.93 0.43 8.40 0.04 -1.26 -4.82 135.00 137.38 3k4j s PRO 405 Ca 0.12 1.00 0.10 0.00 0.04 0.00 0.00 61.00 62.25 3k4j s PRO 405 Cb -0.08 -1.87 0.95 0.00 0.04 0.00 0.00 34.50 33.53 3k4j s PRO 405 CO 0.06 -1.82 2.06 -0.44 0.04 0.00 0.00 177.00 176.90 3k4j h ASP 406 N -1.25 0.38 -0.99 6.66 3.32 -1.99 -0.96 116.42 121.60 3k4j h ASP 406 Ca -0.46 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 56.63 3k4j h ASP 406 Cb 1.25 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 3k4j h ASP 406 CO 0.53 0.27 0.64 4.11 -1.72 0.00 0.00 179.24 183.08 3k4j h TRP 407 N 0.45 1.20 0.19 4.55 5.08 -2.00 0.70 115.95 126.12 3k4j h TRP 407 Ca 0.15 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 60.14 3k4j h TRP 407 Cb 0.04 -0.40 0.00 0.00 -3.00 0.00 0.00 29.16 25.81 3k4j h TRP 407 CO -0.00 0.67 -0.09 2.35 -1.28 0.00 0.00 178.44 180.09 3k4j h TRP 408 N 1.22 -0.23 -0.90 0.12 2.91 -1.55 -2.84 115.95 114.66 3k4j h TRP 408 Ca 0.40 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.41 3k4j h TRP 408 Cb 0.06 0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 28.74 3k4j h TRP 408 CO -0.00 0.11 0.55 -0.91 -1.03 0.00 0.00 178.44 177.16 3k4j h ASN 409 N -0.61 1.08 0.04 2.65 2.35 -1.24 -1.19 115.58 118.66 3k4j h ASN 409 Ca -0.03 -0.07 0.02 0.00 -0.55 0.00 0.00 56.30 55.68 3k4j h ASN 409 Cb 0.45 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3k4j h ASN 409 CO 0.04 0.83 -0.20 -0.08 -1.65 0.00 0.00 177.43 176.37 3k4j h GLU 410 N 1.24 -0.33 -0.57 0.81 4.57 -0.91 0.60 114.58 119.99 3k4j h GLU 410 Ca 0.32 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.62 3k4j h GLU 410 Cb -0.05 0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 28.53 3k4j h GLU 410 CO -0.06 -0.22 0.15 0.87 -1.18 0.00 0.00 179.01 178.57 3k4j h LYS 411 N -0.34 0.29 -0.11 1.92 1.57 -1.21 -0.48 116.57 118.21 3k4j h LYS 411 Ca 0.05 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3k4j h LYS 411 Cb 0.40 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3k4j h LYS 411 CO -0.16 0.19 -0.23 0.28 -0.57 0.00 0.00 179.45 178.97 3k4j h VAL 412 N 0.30 1.38 -0.48 0.50 2.07 -0.99 -0.69 116.25 118.34 3k4j h VAL 412 Ca 0.29 -1.50 0.01 0.00 0.82 0.00 0.00 66.70 66.32 3k4j h VAL 412 Cb 0.39 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 3k4j h VAL 412 CO -0.34 0.44 0.30 0.50 0.02 0.00 0.00 177.57 178.48 3k4j h LYS 413 N -0.08 0.59 -0.80 1.57 3.64 -0.79 0.20 116.57 120.90 3k4j h LYS 413 Ca 0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3k4j h LYS 413 Cb 0.81 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 3k4j h LYS 413 CO 0.05 0.39 0.40 -0.91 -2.27 0.00 0.00 179.45 177.11 3k4j h ASN 414 N 0.60 1.03 -0.12 4.20 2.35 -0.97 -0.17 115.58 122.50 3k4j h ASN 414 Ca 0.18 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3k4j h ASN 414 Cb -0.02 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.08 3k4j h ASN 414 CO -0.06 0.86 0.01 -0.74 -1.65 0.00 0.00 177.43 175.85 3k4j h HIS 415 N 1.12 0.23 -0.08 1.19 -0.00 -0.56 0.23 115.15 117.28 3k4j h HIS 415 Ca 0.28 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.56 3k4j h HIS 415 Cb 0.09 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 3k4j h HIS 415 CO 0.01 0.43 -0.18 0.52 -0.00 0.00 0.00 177.93 178.71 3k4j h MET 416 N -0.04 0.13 0.10 5.26 2.86 -0.08 -0.91 114.93 122.26 3k4j h MET 416 Ca 0.04 -0.03 -0.32 0.00 -2.06 0.00 0.00 59.70 57.33 3k4j h MET 416 Cb 0.33 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3k4j h MET 416 CO 0.00 0.31 -1.67 0.52 1.06 0.00 0.00 176.91 177.14 3k4j h MET 417 N 0.13 0.22 0.00 1.72 2.07 -0.89 -3.34 114.93 114.83 3k4j h MET 417 Ca 0.02 -0.37 0.00 0.00 -2.07 0.00 0.00 59.70 57.28 3k4j h MET 417 Cb 0.39 0.14 0.00 0.00 -1.87 0.00 0.00 31.60 30.26 3k4j h MET 417 CO 0.03 1.04 -0.28 1.96 1.07 0.00 0.00 176.91 180.73 3k4j h GLN 418 N 0.06 0.00 -2.18 1.72 4.20 -0.88 -3.37 115.11 114.67 3k4j h GLN 418 Ca -0.29 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 57.83 3k4j h GLN 418 Cb 2.02 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 29.39 3k4j h GLN 418 CO 0.13 0.00 -0.76 0.72 -0.67 0.00 0.00 178.83 178.25 3k4j n HIS 419 N -2.63 2.25 0.54 2.96 8.25 -0.35 -4.91 115.22 121.32 3k4j n HIS 419 Ca 0.04 -3.96 0.11 0.00 -0.26 0.00 0.00 57.72 53.65 3k4j n HIS 419 Cb 0.49 -0.48 0.45 0.00 1.12 0.00 0.00 29.99 31.57 3k4j n HIS 419 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3k4j n GLN 420 N 1.13 0.14 0.02 -0.41 6.02 -1.25 -1.25 117.38 121.77 3k4j n GLN 420 Ca 0.27 0.29 0.13 0.00 -0.01 0.00 0.00 57.00 57.68 3k4j n GLN 420 Cb 0.45 -1.73 0.53 0.00 1.02 0.00 0.00 30.24 30.51 3k4j n GLN 420 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 3k4j n GLU 421 N -2.00 0.04 -3.78 -1.09 0.00 -1.26 -4.57 120.64 107.98 3k4j n GLU 421 Ca 0.04 0.08 -0.36 0.00 0.00 0.00 0.00 57.16 56.92 3k4j n GLU 421 Cb 0.27 -1.55 -0.10 0.00 0.00 0.00 0.00 31.44 30.06 3k4j n GLU 421 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3k4j s ASP 422 N -3.23 5.84 0.00 -1.84 2.15 -0.38 -4.99 116.67 114.22 3k4j s ASP 422 Ca 0.12 0.07 0.30 0.00 0.43 0.00 0.00 52.55 53.46 3k4j s ASP 422 Cb 0.16 -2.04 1.38 0.00 -0.30 0.00 0.00 42.92 42.12 3k4j s ASP 422 CO 0.49 0.09 1.94 -0.81 -0.17 0.00 0.00 175.17 176.71 3k4j n PRO 423 N 4.10 0.83 -4.03 4.34 -0.04 -1.26 -4.87 135.00 134.07 3k4j n PRO 423 Ca -0.16 -0.24 -0.34 0.00 -0.04 0.00 0.00 63.50 62.73 3k4j n PRO 423 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 3k4j n PRO 423 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k4j s LEU 424 N -2.33 4.08 0.00 1.53 1.43 -1.26 -5.02 118.68 117.10 3k4j s LEU 424 Ca 0.34 0.25 0.31 0.00 -1.03 0.00 0.00 54.13 54.00 3k4j s LEU 424 Cb 0.21 -2.31 1.74 0.00 0.03 0.00 0.00 46.19 45.86 3k4j s LEU 424 CO 0.44 0.30 2.14 -0.81 0.23 0.00 0.00 176.35 178.64 3k4j n PRO 425 N 1.30 1.09 -2.96 1.29 -0.04 -1.26 -4.84 135.00 129.58 3k4j n PRO 425 Ca -0.14 -0.17 -0.41 0.00 -0.04 0.00 0.00 63.50 62.74 3k4j n PRO 425 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 3k4j n PRO 425 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3k4j s ILE 426 N -2.02 4.91 0.69 0.52 1.01 -1.26 -4.66 121.20 120.38 3k4j s ILE 426 Ca 0.45 1.48 -0.17 0.00 0.00 0.00 0.00 60.65 62.42 3k4j s ILE 426 Cb 0.22 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.62 3k4j s ILE 426 CO 0.37 0.03 1.27 -2.84 0.00 0.00 0.00 174.94 173.77 3k4j s PRO 427 N 2.23 2.34 0.36 2.79 0.02 -1.26 -4.93 135.00 136.54 3k4j s PRO 427 Ca 0.35 1.98 0.05 0.00 0.02 0.00 0.00 61.00 63.40 3k4j s PRO 427 Cb -0.16 -1.83 0.68 0.00 0.02 0.00 0.00 34.50 33.21 3k4j s PRO 427 CO 0.11 -1.74 1.93 0.74 -0.33 0.00 0.00 177.00 177.71 3k4j h PHE 428 N 0.20 0.53 -0.87 6.54 0.04 -1.97 -3.09 116.94 118.31 3k4j h PHE 428 Ca -0.50 -0.03 -0.53 0.00 2.80 0.00 0.00 57.97 59.71 3k4j h PHE 428 Cb 1.33 -0.16 -0.28 0.00 2.20 0.00 0.00 35.95 39.03 3k4j h PHE 428 CO 0.43 0.47 0.49 0.39 -0.60 0.00 0.00 178.31 179.48 3k4j n GLU 429 N -4.34 2.47 -1.93 1.51 1.02 -1.26 -4.97 120.64 113.14 3k4j n GLU 429 Ca 0.02 -3.25 -0.42 0.00 -0.02 0.00 0.00 57.16 53.49 3k4j n GLU 429 Cb 0.19 -2.17 -0.03 0.00 -0.02 0.00 0.00 31.44 29.41 3k4j n GLU 429 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k4j s ASP 430 N -1.91 6.57 0.80 1.62 2.15 -1.17 -4.88 116.67 119.85 3k4j s ASP 430 Ca 0.57 2.66 -0.14 0.00 0.43 0.00 0.00 52.55 56.07 3k4j s ASP 430 Cb 0.47 -2.60 0.07 0.00 -0.30 0.00 0.00 42.92 40.56 3k4j s ASP 430 CO 0.04 -0.82 1.09 -2.65 -0.17 0.00 0.00 175.17 172.67 3k4j n PRO 431 N 3.60 0.20 -2.40 4.34 -0.02 -1.26 -4.99 135.00 134.46 3k4j n PRO 431 Ca 0.12 0.14 -0.33 0.00 -2.02 0.00 0.00 63.50 61.42 3k4j n PRO 431 Cb 0.39 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 3k4j n PRO 431 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3k4j s GLU 432 N -3.92 3.83 0.56 -0.52 1.03 -1.26 -4.55 118.70 113.87 3k4j s GLU 432 Ca 0.72 1.08 -0.21 0.00 0.03 0.00 0.00 54.97 56.60 3k4j s GLU 432 Cb -0.30 -2.11 -0.04 0.00 -0.80 0.00 0.00 34.13 30.88 3k4j s GLU 432 CO 0.52 -0.37 1.28 -1.25 -1.33 0.00 0.00 175.26 174.11 3k4j s PRO 433 N -3.83 3.10 -0.41 -4.83 0.04 -1.26 -4.65 135.00 123.15 3k4j s PRO 433 Ca 0.61 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.76 3k4j s PRO 433 Cb -0.12 -2.13 0.24 0.00 0.04 0.00 0.00 34.50 32.53 3k4j s PRO 433 CO 0.28 -1.16 0.59 1.04 0.04 0.00 0.00 177.00 177.80 3k4j n GLN 434 N -1.22 0.70 -4.99 4.56 1.13 -1.22 -3.58 117.38 112.76 3k4j n GLN 434 Ca 0.12 -2.89 -0.32 0.00 -1.94 0.00 0.00 57.00 51.97 3k4j n GLN 434 Cb 0.47 -1.29 -0.14 0.00 0.11 0.00 0.00 30.24 29.39 3k4j n GLN 434 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3k4j s VAL 435 N -0.69 2.83 0.02 5.09 1.01 0.65 -0.24 120.40 129.08 3k4j s VAL 435 Ca 0.34 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 3k4j s VAL 435 Cb 0.17 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 3k4j s VAL 435 CO -0.14 0.59 0.05 0.28 0.00 0.00 0.00 175.10 175.88 3k4j s THR 436 N -0.71 0.12 -0.24 3.92 -1.32 -0.67 0.08 115.64 116.83 3k4j s THR 436 Ca 0.11 -1.00 -0.01 0.00 -1.21 0.00 0.00 61.69 59.58 3k4j s THR 436 Cb -0.10 -0.62 0.02 0.00 -1.51 0.00 0.00 72.50 70.29 3k4j s THR 436 CO 0.00 -0.55 -0.08 0.28 -2.21 0.00 0.00 174.62 172.07 3k4j s THR 437 N -2.04 2.80 0.65 5.08 -1.32 -1.26 -1.28 115.64 118.28 3k4j s THR 437 Ca -0.10 -1.00 -0.16 0.00 -1.21 0.00 0.00 61.69 59.22 3k4j s THR 437 Cb -0.05 -2.40 -0.00 0.00 -1.51 0.00 0.00 72.50 68.54 3k4j s THR 437 CO -0.02 0.24 1.14 -0.76 -2.21 0.00 0.00 174.62 173.01 3k4j s LEU 438 N 1.32 3.44 0.15 9.08 1.43 -1.26 -3.83 118.68 129.02 3k4j s LEU 438 Ca 0.01 2.13 -0.33 0.00 -1.03 0.00 0.00 54.13 54.92 3k4j s LEU 438 Cb -0.16 -4.57 -0.17 0.00 0.03 0.00 0.00 46.19 41.32 3k4j s LEU 438 CO -0.05 -1.71 0.95 0.33 0.23 0.00 0.00 176.35 176.10 3k4j n PHE 439 N -2.26 0.66 -3.96 0.29 -0.00 -1.22 -4.95 117.46 106.01 3k4j n PHE 439 Ca 0.11 0.84 -0.08 0.00 -0.00 0.00 0.00 57.45 58.32 3k4j n PHE 439 Cb 0.51 -2.15 -0.08 0.00 -0.00 0.00 0.00 39.48 37.76 3k4j n PHE 439 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3k4j s GLN 440 N -0.58 0.79 0.38 -4.13 -1.52 -0.94 -4.95 119.66 108.71 3k4j s GLN 440 Ca 0.73 -1.10 0.18 0.00 -1.95 0.00 0.00 55.36 53.22 3k4j s GLN 440 Cb -0.95 0.29 1.11 0.00 -0.22 0.00 0.00 33.01 33.24 3k4j s GLN 440 CO 0.55 -0.22 1.72 -1.35 -0.25 0.00 0.00 175.29 175.73 3k4j h PRO 441 N 2.88 0.36 0.00 2.91 0.11 -1.98 -0.16 132.00 136.12 3k4j h PRO 441 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3k4j h PRO 441 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3k4j h PRO 441 CO 0.59 0.24 -0.18 0.66 -0.21 0.00 0.00 178.00 179.10 3k4j h SER 442 N 0.37 0.00 -2.04 -2.05 4.64 -2.00 -3.36 113.55 109.11 3k4j h SER 442 Ca 0.67 -0.01 -0.55 0.00 -0.47 0.00 0.00 61.79 61.42 3k4j h SER 442 Cb 1.66 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 63.37 3k4j h SER 442 CO -0.41 0.01 -1.05 0.00 -0.87 0.00 0.00 176.83 174.50 3k4j n HIS 443 N -2.83 -0.65 -1.78 4.77 1.44 -0.21 -5.06 115.22 110.90 3k4j n HIS 443 Ca 0.04 -3.41 -0.42 0.00 -2.01 0.00 0.00 57.72 51.92 3k4j n HIS 443 Cb 0.51 -0.10 -0.00 0.00 0.12 0.00 0.00 29.99 30.51 3k4j n HIS 443 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3k4j n PRO 444 N 1.84 3.08 -3.58 -1.40 -0.04 -0.40 -2.23 135.00 132.27 3k4j n PRO 444 Ca 0.23 -2.71 -0.17 0.00 -0.04 0.00 0.00 63.50 60.82 3k4j n PRO 444 Cb 0.52 -3.17 -0.07 0.00 -0.04 0.00 0.00 33.50 30.74 3k4j n PRO 444 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3k4j s TRP 445 N 2.61 -0.53 0.36 0.54 -2.14 -1.26 -4.21 118.94 114.31 3k4j s TRP 445 Ca 0.48 0.88 -0.08 0.00 2.66 0.00 0.00 56.10 60.04 3k4j s TRP 445 Cb 0.14 0.33 -0.06 0.00 -3.10 0.00 0.00 33.47 30.78 3k4j s TRP 445 CO -0.07 -0.55 0.69 -1.58 -2.66 0.00 0.00 176.95 172.77 3k4j s HIS 446 N -1.27 3.47 0.00 1.66 5.65 -0.04 -3.38 115.29 121.39 3k4j s HIS 446 Ca -0.11 0.89 0.02 0.00 0.25 0.00 0.00 55.06 56.11 3k4j s HIS 446 Cb -0.01 -2.32 -0.01 0.00 -1.18 0.00 0.00 32.58 29.06 3k4j s HIS 446 CO 0.08 -0.01 -0.07 0.95 -0.65 0.00 0.00 174.74 175.05 3k4j s THR 447 N -2.27 0.51 -0.06 0.89 -4.23 -1.25 -0.57 115.64 108.67 3k4j s THR 447 Ca 0.48 -0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.55 3k4j s THR 447 Cb -0.10 -0.46 0.04 0.00 1.34 0.00 0.00 72.50 73.31 3k4j s THR 447 CO 0.31 0.05 0.11 -1.10 -0.54 0.00 0.00 174.62 173.44 3k4j s GLN 448 N -0.41 0.01 -0.26 3.99 -0.21 -0.22 -4.42 119.66 118.13 3k4j s GLN 448 Ca 0.00 0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.78 3k4j s GLN 448 Cb -0.04 -0.30 0.07 0.00 1.00 0.00 0.00 33.01 33.75 3k4j s GLN 448 CO -0.00 -0.25 0.01 0.42 -2.12 0.00 0.00 175.29 173.35 3k4j s ILE 449 N 1.72 1.36 0.03 1.08 1.01 0.11 -1.04 121.20 125.47 3k4j s ILE 449 Ca -0.02 -1.34 -0.00 0.00 0.00 0.00 0.00 60.65 59.29 3k4j s ILE 449 Cb -0.12 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.55 3k4j s ILE 449 CO -0.05 -0.32 0.04 0.00 0.00 0.00 0.00 174.94 174.61 3k4j n GLN 450 N 4.70 0.05 -3.34 2.79 6.02 -0.67 -0.25 117.38 126.69 3k4j n GLN 450 Ca -0.07 -0.21 -0.25 0.00 -0.01 0.00 0.00 57.00 56.46 3k4j n GLN 450 Cb 0.44 0.20 -0.09 0.00 1.02 0.00 0.00 30.24 31.81 3k4j n GLN 450 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3k4j n ARG 451 N -0.04 0.22 -2.29 -1.09 0.00 -1.23 -0.14 116.66 112.08 3k4j n ARG 451 Ca 0.00 -3.08 -0.26 0.00 -0.00 0.00 0.00 57.85 54.51 3k4j n ARG 451 Cb 0.04 -1.65 0.05 0.00 0.00 0.00 0.00 32.46 30.91 3k4j n ARG 451 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3k4j s ASP 452 N 0.10 5.25 0.19 6.15 1.11 -1.26 -4.91 116.67 123.29 3k4j s ASP 452 Ca 0.33 0.62 -0.32 0.00 0.18 0.00 0.00 52.55 53.35 3k4j s ASP 452 Cb 0.04 -1.45 -0.16 0.00 1.07 0.00 0.00 42.92 42.42 3k4j s ASP 452 CO -0.19 -1.31 1.11 0.00 1.18 0.00 0.00 175.17 175.96 3k4j n ALA 453 N -2.75 -0.87 -3.61 5.23 0.00 -1.26 -4.96 120.51 112.29 3k4j n ALA 453 Ca 0.06 0.45 -0.10 0.00 0.00 0.00 0.00 53.44 53.86 3k4j n ALA 453 Cb 0.59 -2.00 -0.08 0.00 0.00 0.00 0.00 19.45 17.96 3k4j n ALA 453 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3k4j s PHE 454 N -0.35 -0.82 -0.84 0.00 5.36 -1.26 -4.79 117.98 115.27 3k4j s PHE 454 Ca 0.71 1.75 -0.20 0.00 -0.96 0.00 0.00 56.93 58.24 3k4j s PHE 454 Cb -0.84 0.41 0.12 0.00 -0.34 0.00 0.00 43.02 42.36 3k4j s PHE 454 CO 0.54 -0.41 1.05 -1.54 -1.46 0.00 0.00 175.22 173.39 3k4j s SER 455 N 1.15 6.49 0.22 6.13 1.04 -1.26 -4.79 113.70 122.68 3k4j s SER 455 Ca -0.07 -1.77 -0.30 0.00 0.48 0.00 0.00 55.95 54.30 3k4j s SER 455 Cb -0.06 -2.39 -0.09 0.00 0.10 0.00 0.00 66.02 63.58 3k4j s SER 455 CO -0.11 -1.15 1.31 -0.31 0.98 0.00 0.00 173.24 173.96 3k4j s TYR 456 N 2.95 3.23 1.12 5.02 2.02 -1.26 -5.03 117.35 125.40 3k4j s TYR 456 Ca 0.28 1.25 -0.13 0.00 -0.37 0.00 0.00 57.07 58.10 3k4j s TYR 456 Cb -0.09 -3.61 0.26 0.00 -0.40 0.00 0.00 41.96 38.11 3k4j s TYR 456 CO -0.04 -1.88 1.05 0.20 -1.57 0.00 0.00 175.55 173.31 3k4j s GLY 457 N 0.19 1.54 0.51 0.71 0.00 -1.26 -4.74 107.32 104.27 3k4j s GLY 457 Ca 0.55 -0.30 0.16 0.00 0.00 0.00 0.00 44.72 45.13 3k4j s GLY 457 CO 0.40 0.40 2.13 0.00 0.00 0.00 0.00 173.10 176.04 3k4j h ALA 458 N -2.41 1.95 0.12 3.20 0.00 -1.99 -1.34 119.26 118.79 3k4j h ALA 458 Ca -0.59 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 53.94 3k4j h ALA 458 Cb 1.34 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3k4j h ALA 458 CO 0.53 0.03 -1.99 0.28 0.00 0.00 0.00 179.25 178.10 3k4j n VAL 459 N -4.49 1.76 -0.27 0.00 0.31 -1.26 -3.72 118.33 110.66 3k4j n VAL 459 Ca -0.03 -0.63 0.07 0.00 -0.01 0.00 0.00 64.34 63.75 3k4j n VAL 459 Cb 0.11 -1.74 0.31 0.00 -0.91 0.00 0.00 33.84 31.62 3k4j n VAL 459 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3k4j h GLN 460 N 0.02 0.83 0.00 5.55 4.20 -1.79 -1.25 115.11 122.67 3k4j h GLN 460 Ca -0.43 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.23 3k4j h GLN 460 Cb 2.00 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.59 3k4j h GLN 460 CO 0.07 0.55 0.00 1.04 -0.67 0.00 0.00 178.83 179.82 3k4j n GLN 461 N -4.52 0.04 0.27 1.46 6.02 -0.53 -0.54 117.38 119.57 3k4j n GLN 461 Ca 0.15 0.50 0.16 0.00 -0.01 0.00 0.00 57.00 57.80 3k4j n GLN 461 Cb 0.30 -1.62 0.60 0.00 1.02 0.00 0.00 30.24 30.55 3k4j n GLN 461 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k4j h SER 462 N 0.00 0.00 -3.28 1.08 0.87 -1.34 -3.44 113.55 107.44 3k4j h SER 462 Ca 0.00 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.98 3k4j h SER 462 Cb 0.04 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.91 3k4j h SER 462 CO 0.00 0.01 -0.23 -0.63 -0.53 0.00 0.00 176.83 175.45 3k4j s ILE 463 N -3.59 5.23 0.04 2.23 -1.09 0.30 -5.03 121.20 119.29 3k4j s ILE 463 Ca 0.02 0.76 -0.35 0.00 -2.23 0.00 0.00 60.65 58.85 3k4j s ILE 463 Cb 0.08 -3.72 -0.14 0.00 -1.58 0.00 0.00 42.46 37.11 3k4j s ILE 463 CO 0.57 0.38 1.67 -0.67 -1.23 0.00 0.00 174.94 175.65 3k4j n ASP 464 N 3.48 3.02 0.15 3.58 -0.08 -1.26 -4.86 116.55 120.58 3k4j n ASP 464 Ca -0.10 1.05 0.17 0.00 -1.51 0.00 0.00 54.79 54.40 3k4j n ASP 464 Cb 0.52 -1.37 0.77 0.00 2.34 0.00 0.00 41.12 43.38 3k4j n ASP 464 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3k4j h SER 465 N 6.99 0.00 0.66 1.67 4.64 -1.93 -0.89 113.55 124.68 3k4j h SER 465 Ca -0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3k4j h SER 465 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3k4j h SER 465 CO 0.90 0.00 -0.01 0.03 -0.87 0.00 0.00 176.83 176.88 3k4j h ARG 466 N 0.00 0.00 0.00 4.77 3.08 -2.00 -2.38 114.38 117.85 3k4j h ARG 466 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3k4j h ARG 466 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3k4j h ARG 466 CO -0.00 0.01 -0.35 1.28 -1.07 0.00 0.00 179.97 179.83 3k4j n LEU 467 N -3.12 0.56 -4.75 3.04 4.77 -0.34 -4.91 117.00 112.26 3k4j n LEU 467 Ca -0.01 0.30 -0.37 0.00 -0.03 0.00 0.00 56.01 55.91 3k4j n LEU 467 Cb 0.23 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 3k4j n LEU 467 CO 0.25 -0.03 -0.02 -0.63 -1.33 0.00 0.00 177.39 175.63 3k4j s ILE 468 N -3.09 5.30 -0.06 -0.08 1.01 -0.90 -0.32 121.20 123.06 3k4j s ILE 468 Ca 0.10 0.55 0.02 0.00 0.00 0.00 0.00 60.65 61.31 3k4j s ILE 468 Cb 0.15 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 39.01 3k4j s ILE 468 CO 0.66 0.42 -0.09 -0.69 0.00 0.00 0.00 174.94 175.23 3k4j s VAL 469 N 0.25 0.92 0.12 2.92 1.01 -0.64 -4.81 120.40 120.18 3k4j s VAL 469 Ca 0.17 -0.34 -0.24 0.00 0.00 0.00 0.00 61.98 61.57 3k4j s VAL 469 Cb -0.13 -0.88 -0.07 0.00 0.00 0.00 0.00 36.38 35.29 3k4j s VAL 469 CO 0.05 0.31 0.73 -1.81 0.00 0.00 0.00 175.10 174.38 3k4j s ASP 470 N 0.87 7.28 -0.15 3.32 1.01 0.80 -0.38 116.67 129.42 3k4j s ASP 470 Ca -0.11 1.52 0.02 0.00 0.71 0.00 0.00 52.55 54.69 3k4j s ASP 470 Cb -0.15 -2.46 0.01 0.00 1.01 0.00 0.00 42.92 41.33 3k4j s ASP 470 CO 0.01 0.19 -0.21 0.26 0.21 0.00 0.00 175.17 175.64 3k4j s TRP 471 N -0.95 2.65 -0.11 4.23 0.52 0.57 -1.67 118.94 124.18 3k4j s TRP 471 Ca 0.35 -1.42 0.00 0.00 0.02 0.00 0.00 56.10 55.04 3k4j s TRP 471 Cb -0.22 -1.82 0.02 0.00 -1.15 0.00 0.00 33.47 30.31 3k4j s TRP 471 CO 0.24 -0.68 -0.09 1.03 0.02 0.00 0.00 176.95 177.47 3k4j s ARG 472 N 1.01 1.70 -0.05 4.98 0.52 -0.20 -2.22 118.95 124.68 3k4j s ARG 472 Ca -0.02 -0.33 0.06 0.00 -0.52 0.00 0.00 55.73 54.91 3k4j s ARG 472 Cb -0.15 -1.67 -0.01 0.00 0.52 0.00 0.00 34.95 33.64 3k4j s ARG 472 CO -0.06 -0.23 -0.24 -0.06 0.02 0.00 0.00 175.30 174.74 3k4j s PHE 473 N 1.54 2.46 -0.15 -0.53 0.40 -0.62 -1.06 117.98 120.02 3k4j s PHE 473 Ca 0.03 -0.62 0.01 0.00 -0.60 0.00 0.00 56.93 55.74 3k4j s PHE 473 Cb -0.13 -1.60 0.02 0.00 0.51 0.00 0.00 43.02 41.82 3k4j s PHE 473 CO -0.07 -0.15 -0.17 -0.06 0.70 0.00 0.00 175.22 175.47 3k4j s PHE 474 N -0.26 2.36 0.37 0.36 0.40 0.27 -1.53 117.98 119.93 3k4j s PHE 474 Ca -0.00 -1.31 0.02 0.00 -0.60 0.00 0.00 56.93 55.04 3k4j s PHE 474 Cb -0.13 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.70 3k4j s PHE 474 CO 0.03 -0.68 0.55 0.20 0.70 0.00 0.00 175.22 176.02 3k4j s GLY 475 N 1.30 1.44 -0.05 4.36 0.00 -0.07 -0.86 107.32 113.45 3k4j s GLY 475 Ca 0.02 -1.10 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 3k4j s GLY 475 CO -0.09 -1.01 0.14 1.09 0.00 0.00 0.00 173.10 173.23 3k4j s ARG 476 N -4.33 3.36 -0.19 2.90 1.70 -1.26 -3.80 118.95 117.34 3k4j s ARG 476 Ca 0.43 -0.29 -0.00 0.00 -0.47 0.00 0.00 55.73 55.40 3k4j s ARG 476 Cb -0.10 -3.08 0.01 0.00 -0.57 0.00 0.00 34.95 31.22 3k4j s ARG 476 CO 0.35 0.71 -0.16 0.99 -1.08 0.00 0.00 175.30 176.11 3k4j s THR 477 N -1.19 2.45 0.30 4.99 2.01 -1.26 -4.76 115.64 118.18 3k4j s THR 477 Ca 0.22 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 3k4j s THR 477 Cb -0.12 -2.06 -0.12 0.00 0.01 0.00 0.00 72.50 70.22 3k4j s THR 477 CO 0.12 0.51 1.60 -0.62 -0.69 0.00 0.00 174.62 175.55 3k4j n GLU 478 N 4.61 2.74 -2.20 4.92 1.02 -1.26 -4.22 120.64 126.26 3k4j n GLU 478 Ca -0.20 0.97 -0.42 0.00 -0.02 0.00 0.00 57.16 57.49 3k4j n GLU 478 Cb 0.50 -2.76 -0.03 0.00 -0.02 0.00 0.00 31.44 29.13 3k4j n GLU 478 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3k4j s PRO 479 N -0.56 4.30 -0.02 3.49 0.02 -1.26 -4.82 135.00 136.14 3k4j s PRO 479 Ca 0.63 2.01 0.03 0.00 0.02 0.00 0.00 61.00 63.70 3k4j s PRO 479 Cb -0.49 -3.46 -0.00 0.00 0.02 0.00 0.00 34.50 30.57 3k4j s PRO 479 CO 0.49 -0.52 -0.11 0.15 -0.33 0.00 0.00 177.00 176.68 3k4j s LYS 480 N 1.91 0.97 0.31 5.54 -0.14 -1.26 -4.99 119.74 122.08 3k4j s LYS 480 Ca 0.64 -0.38 0.00 0.00 -1.36 0.00 0.00 55.97 54.88 3k4j s LYS 480 Cb -0.34 -0.91 0.49 0.00 -1.68 0.00 0.00 37.83 35.39 3k4j s LYS 480 CO 0.28 0.20 1.89 1.49 -0.76 0.00 0.00 175.35 178.45 3k4j h GLU 481 N 6.06 0.81 0.00 1.68 4.81 -1.94 -1.82 114.58 124.19 3k4j h GLU 481 Ca -0.33 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3k4j h GLU 481 Cb 1.17 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3k4j h GLU 481 CO 0.49 0.67 0.00 1.05 -0.73 0.00 0.00 179.01 180.49 3k4j h GLU 482 N 0.80 0.00 -6.26 1.92 9.09 -1.96 -3.33 114.58 114.85 3k4j h GLU 482 Ca 0.19 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 59.02 3k4j h GLU 482 Cb 0.16 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.18 3k4j h GLU 482 CO -0.02 0.00 0.74 -0.80 0.05 0.00 0.00 179.01 178.98 3k4j s ASN 483 N -5.19 6.76 0.05 3.06 0.01 -0.71 -4.80 114.94 114.13 3k4j s ASN 483 Ca -0.01 0.72 0.04 0.00 -0.71 0.00 0.00 52.86 52.91 3k4j s ASN 483 Cb 0.10 -2.50 -0.03 0.00 0.41 0.00 0.00 41.25 39.23 3k4j s ASN 483 CO 0.45 -0.93 -0.12 -0.54 -1.51 0.00 0.00 177.10 174.46 3k4j s LYS 484 N 3.69 0.71 -0.23 -0.60 1.02 -0.59 -1.71 119.74 122.04 3k4j s LYS 484 Ca 0.42 -0.83 -0.02 0.00 0.02 0.00 0.00 55.97 55.56 3k4j s LYS 484 Cb -0.11 -0.63 0.01 0.00 -0.52 0.00 0.00 37.83 36.57 3k4j s LYS 484 CO 0.20 0.14 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.52 3k4j s LEU 485 N -1.55 2.89 0.38 3.17 2.96 0.22 -0.63 118.68 126.12 3k4j s LEU 485 Ca -0.04 -0.63 0.04 0.00 -0.22 0.00 0.00 54.13 53.27 3k4j s LEU 485 Cb -0.09 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 3k4j s LEU 485 CO 0.01 -0.06 0.06 -1.66 -1.32 0.00 0.00 176.35 173.39 3k4j s TRP 486 N 1.39 1.97 -0.04 5.38 1.48 -0.34 -4.55 118.94 124.23 3k4j s TRP 486 Ca 0.03 -1.01 0.03 0.00 -1.06 0.00 0.00 56.10 54.10 3k4j s TRP 486 Cb -0.15 -1.35 0.00 0.00 -1.16 0.00 0.00 33.47 30.81 3k4j s TRP 486 CO -0.05 0.01 -0.12 -0.06 -4.06 0.00 0.00 176.95 172.66 3k4j s PHE 487 N -3.15 1.29 0.33 1.66 0.08 -1.26 -0.26 117.98 116.67 3k4j s PHE 487 Ca 0.29 -0.37 -0.29 0.00 0.12 0.00 0.00 56.93 56.68 3k4j s PHE 487 Cb 0.06 -0.91 -0.10 0.00 -0.57 0.00 0.00 43.02 41.50 3k4j s PHE 487 CO 0.14 -0.16 1.35 0.45 -0.10 0.00 0.00 175.22 176.90 3k4j s SER 488 N 0.25 6.70 0.00 1.36 0.15 -0.44 0.66 113.70 122.38 3k4j s SER 488 Ca -0.06 2.74 0.29 0.00 0.70 0.00 0.00 55.95 59.62 3k4j s SER 488 Cb -0.11 -2.65 1.22 0.00 -1.71 0.00 0.00 66.02 62.77 3k4j s SER 488 CO 0.02 -0.60 1.86 -0.90 1.20 0.00 0.00 173.24 174.82 3k4j n ASP 489 N 0.94 0.42 0.00 5.45 5.68 -1.26 -4.18 116.55 123.60 3k4j n ASP 489 Ca 0.01 -0.50 0.00 0.00 -0.50 0.00 0.00 54.79 53.80 3k4j n ASP 489 Cb 0.41 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 3k4j n ASP 489 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 3k4j n LYS 490 N -1.01 0.58 -3.86 0.11 4.81 -1.26 -5.00 118.16 112.52 3k4j n LYS 490 Ca 0.14 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.21 3k4j n LYS 490 Cb 0.28 -1.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.27 3k4j n LYS 490 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3k4j s ILE 491 N -1.99 5.50 0.25 3.15 -1.09 -1.26 -5.04 121.20 120.72 3k4j s ILE 491 Ca 0.00 0.21 0.11 0.00 -2.23 0.00 0.00 60.65 58.74 3k4j s ILE 491 Cb 0.00 -3.41 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 3k4j s ILE 491 CO 0.00 0.60 -0.20 0.42 -1.23 0.00 0.00 174.94 174.53 3k4j s THR 492 N -0.88 2.33 0.11 2.92 -4.23 -1.26 -0.93 115.64 113.71 3k4j s THR 492 Ca 0.14 -2.31 -0.01 0.00 -1.18 0.00 0.00 61.69 58.33 3k4j s THR 492 Cb -0.12 -2.22 0.02 0.00 1.34 0.00 0.00 72.50 71.53 3k4j s THR 492 CO 0.03 -0.38 0.16 -0.90 -0.54 0.00 0.00 174.62 172.99 3k4j n ASP 493 N -0.42 0.10 0.27 3.99 5.68 0.18 -4.74 116.55 121.61 3k4j n ASP 493 Ca -0.07 -1.11 0.18 0.00 -0.50 0.00 0.00 54.79 53.29 3k4j n ASP 493 Cb 0.59 -0.11 0.87 0.00 -1.14 0.00 0.00 41.12 41.33 3k4j n ASP 493 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k4j h ALA 494 N -1.21 1.00 -0.40 2.12 0.00 -2.00 -1.84 119.26 116.92 3k4j h ALA 494 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3k4j h ALA 494 Cb 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3k4j h ALA 494 CO 0.04 0.00 0.03 0.66 0.00 0.00 0.00 179.25 179.98 3k4j n TYR 495 N -2.84 1.42 -2.58 0.00 4.02 -1.26 -4.94 117.16 110.98 3k4j n TYR 495 Ca -0.01 -0.94 -0.21 0.00 -0.01 0.00 0.00 57.90 56.74 3k4j n TYR 495 Cb 0.15 -0.42 0.01 0.00 -0.02 0.00 0.00 39.34 39.05 3k4j n TYR 495 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3k4j n ASN 496 N -0.24 -5.87 -4.62 7.72 4.13 -0.69 -4.99 115.26 110.70 3k4j n ASN 496 Ca 0.26 -0.10 -0.25 0.00 1.68 0.00 0.00 54.58 56.17 3k4j n ASN 496 Cb 1.04 -4.82 -0.08 0.00 -1.54 0.00 0.00 39.78 34.38 3k4j n ASN 496 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 3k4j s MET 497 N -5.23 2.22 0.15 3.52 -1.94 -1.26 -4.85 119.30 111.91 3k4j s MET 497 Ca 0.10 -1.30 -0.34 0.00 -1.71 0.00 0.00 55.69 52.44 3k4j s MET 497 Cb -0.04 -2.20 -0.14 0.00 2.01 0.00 0.00 34.83 34.46 3k4j s MET 497 CO 0.12 0.41 1.60 -2.30 -0.01 0.00 0.00 175.02 174.84 3k4j n PRO 498 N -0.36 2.17 -2.30 2.03 -0.02 -1.26 -0.65 135.00 134.61 3k4j n PRO 498 Ca -0.09 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 3k4j n PRO 498 Cb 0.57 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 3k4j n PRO 498 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3k4j s GLN 499 N 1.10 4.27 0.39 -0.52 2.00 -0.10 -4.67 119.66 122.12 3k4j s GLN 499 Ca 0.79 1.84 -0.27 0.00 -2.00 0.00 0.00 55.36 55.73 3k4j s GLN 499 Cb -0.67 -3.69 -0.09 0.00 0.80 0.00 0.00 33.01 29.36 3k4j s GLN 499 CO 0.38 -0.63 1.31 -1.25 -0.50 0.00 0.00 175.29 174.60 3k4j s PRO 500 N 2.93 4.07 -0.03 1.67 0.04 -1.26 -1.33 135.00 141.09 3k4j s PRO 500 Ca 0.61 2.17 -0.01 0.00 0.04 0.00 0.00 61.00 63.81 3k4j s PRO 500 Cb -0.27 -2.84 0.03 0.00 0.04 0.00 0.00 34.50 31.45 3k4j s PRO 500 CO 0.22 -0.41 0.07 0.99 0.04 0.00 0.00 177.00 177.91 3k4j s THR 501 N -1.23 -0.04 -0.04 1.26 2.01 0.65 -4.61 115.64 113.63 3k4j s THR 501 Ca 0.55 0.15 -0.10 0.00 0.31 0.00 0.00 61.69 62.60 3k4j s THR 501 Cb -0.38 -0.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 3k4j s THR 501 CO 0.50 0.06 0.27 -0.36 -0.69 0.00 0.00 174.62 174.40 3k4j s PHE 502 N 0.80 3.64 -0.49 4.92 0.08 -1.26 -1.20 117.98 124.47 3k4j s PHE 502 Ca -0.06 0.71 0.03 0.00 0.12 0.00 0.00 56.93 57.73 3k4j s PHE 502 Cb -0.09 -2.08 0.13 0.00 -0.57 0.00 0.00 43.02 40.41 3k4j s PHE 502 CO -0.03 0.67 0.24 0.34 -0.10 0.00 0.00 175.22 176.33 3k4j s ASP 503 N -1.26 4.19 -0.02 1.36 -1.08 0.20 -4.55 116.67 115.51 3k4j s ASP 503 Ca 0.22 -2.85 0.01 0.00 -0.52 0.00 0.00 52.55 49.41 3k4j s ASP 503 Cb -0.14 -1.49 0.02 0.00 -1.46 0.00 0.00 42.92 39.84 3k4j s ASP 503 CO 0.11 -0.25 -0.02 0.12 0.52 0.00 0.00 175.17 175.64 3k4j s PHE 504 N -0.04 0.41 0.03 -5.34 2.19 -0.24 -1.54 117.98 113.45 3k4j s PHE 504 Ca 0.17 -0.06 0.02 0.00 0.33 0.00 0.00 56.93 57.38 3k4j s PHE 504 Cb -0.25 -0.39 -0.02 0.00 -1.31 0.00 0.00 43.02 41.05 3k4j s PHE 504 CO -0.01 -0.09 -0.06 1.03 1.83 0.00 0.00 175.22 177.92 3k4j s ARG 505 N 0.58 0.45 0.15 10.12 1.81 -1.26 -3.82 118.95 126.98 3k4j s ARG 505 Ca -0.06 -0.65 -0.31 0.00 -1.72 0.00 0.00 55.73 52.98 3k4j s ARG 505 Cb -0.09 -0.21 -0.10 0.00 -0.45 0.00 0.00 34.95 34.10 3k4j s ARG 505 CO -0.01 0.03 1.56 -0.06 -0.68 0.00 0.00 175.30 176.15 3k4j s PHE 506 N -1.24 3.01 0.44 -0.53 0.08 -1.26 -4.88 117.98 113.59 3k4j s PHE 506 Ca -0.10 0.62 -0.26 0.00 0.12 0.00 0.00 56.93 57.31 3k4j s PHE 506 Cb -0.09 -3.91 -0.09 0.00 -0.57 0.00 0.00 43.02 38.36 3k4j s PHE 506 CO 0.00 -3.39 1.44 -2.30 -0.10 0.00 0.00 175.22 170.87 3k4j n PRO 507 N 4.15 2.33 -0.79 0.24 -0.02 -1.26 -4.89 135.00 134.76 3k4j n PRO 507 Ca 0.14 0.83 -0.31 0.00 -2.02 0.00 0.00 63.50 62.14 3k4j n PRO 507 Cb 0.39 -2.64 0.15 0.00 -0.02 0.00 0.00 33.50 31.39 3k4j n PRO 507 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k4j s ALA 508 N -1.18 1.60 0.00 3.55 0.00 -1.26 -2.84 121.76 121.62 3k4j s ALA 508 Ca 0.60 0.55 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3k4j s ALA 508 Cb -0.46 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.24 3k4j s ALA 508 CO 0.59 -2.61 0.00 0.41 0.00 0.00 0.00 175.76 174.15 3k4j n GLY 509 N 0.00 0.74 0.26 0.00 0.00 -1.26 -4.39 105.19 100.54 3k4j n GLY 509 Ca 0.11 -1.28 0.05 0.00 0.00 0.00 0.00 46.02 44.90 3k4j n GLY 509 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3k4j h ARG 510 N 0.00 0.22 -0.27 1.61 2.43 -1.99 -1.00 114.38 115.39 3k4j h ARG 510 Ca 0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3k4j h ARG 510 Cb 0.00 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 3k4j h ARG 510 CO 0.00 0.15 0.07 1.15 -1.51 0.00 0.00 179.97 179.83 3k4j h THR 511 N 0.23 0.90 -0.18 0.20 2.02 -1.77 0.11 112.91 114.43 3k4j h THR 511 Ca 0.40 -0.06 -0.20 0.00 0.77 0.00 0.00 66.41 67.32 3k4j h THR 511 Cb 0.67 0.71 0.01 0.00 -1.74 0.00 0.00 68.15 67.79 3k4j h THR 511 CO -0.52 0.03 -0.65 0.28 0.37 0.00 0.00 175.52 175.03 3k4j h SER 512 N 0.18 0.89 -0.18 4.18 0.02 -1.13 -0.96 113.55 116.55 3k4j h SER 512 Ca 0.12 -0.60 0.01 0.00 -0.84 0.00 0.00 61.79 60.48 3k4j h SER 512 Cb 0.11 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3k4j h SER 512 CO -0.14 1.34 0.07 0.50 -1.14 0.00 0.00 176.83 177.46 3k4j h LYS 513 N 0.49 0.16 -0.70 3.45 3.64 -1.00 -2.28 116.57 120.33 3k4j h LYS 513 Ca -0.03 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3k4j h LYS 513 Cb 1.28 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 3k4j h LYS 513 CO 0.14 0.11 0.30 0.93 -2.27 0.00 0.00 179.45 178.65 3k4j h GLU 514 N 0.17 1.04 -0.69 1.90 5.08 -0.70 -0.78 114.58 120.60 3k4j h GLU 514 Ca 0.08 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3k4j h GLU 514 Cb 0.03 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 3k4j h GLU 514 CO -0.07 0.85 0.40 0.00 -1.00 0.00 0.00 179.01 179.19 3k4j h ALA 515 N 1.14 0.92 -0.17 3.43 0.00 -0.81 0.51 119.26 124.28 3k4j h ALA 515 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 3k4j h ALA 515 Cb 0.18 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3k4j h ALA 515 CO -0.02 0.10 -0.73 1.49 0.00 0.00 0.00 179.25 180.09 3k4j h GLU 516 N 0.75 0.74 -0.17 0.00 4.57 -1.25 -1.34 114.58 117.88 3k4j h GLU 516 Ca 0.30 -0.58 -0.00 0.00 -1.18 0.00 0.00 59.36 57.90 3k4j h GLU 516 Cb 0.14 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 3k4j h GLU 516 CO -0.16 1.19 0.08 -0.44 -1.18 0.00 0.00 179.01 178.50 3k4j h ASP 517 N 0.52 0.20 -0.21 1.04 3.32 -0.51 -2.01 116.42 118.76 3k4j h ASP 517 Ca -0.04 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 3k4j h ASP 517 Cb 1.34 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 3k4j h ASP 517 CO 0.15 0.17 -0.03 -0.03 -1.72 0.00 0.00 179.24 177.78 3k4j h MET 518 N 0.23 0.40 -0.38 3.56 4.05 0.46 -0.57 114.93 122.67 3k4j h MET 518 Ca 0.06 -0.14 0.06 0.00 -0.28 0.00 0.00 59.70 59.40 3k4j h MET 518 Cb 0.03 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.74 3k4j h MET 518 CO -0.01 0.62 0.06 1.98 0.23 0.00 0.00 176.91 179.79 3k4j h MET 519 N 0.14 0.18 -0.62 0.39 1.85 -0.78 -1.35 114.93 114.73 3k4j h MET 519 Ca 0.06 -0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.18 3k4j h MET 519 Cb 0.46 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.41 3k4j h MET 519 CO 0.02 0.12 0.35 1.15 -0.40 0.00 0.00 176.91 178.14 3k4j h THR 520 N 0.18 1.01 -0.98 -0.77 2.02 -1.24 -1.69 112.91 111.44 3k4j h THR 520 Ca 0.18 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 67.14 3k4j h THR 520 Cb 0.23 0.28 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 3k4j h THR 520 CO -0.26 0.12 0.64 -0.78 0.37 0.00 0.00 175.52 175.61 3k4j h ASP 521 N 0.67 1.13 -0.20 4.18 3.58 -0.38 0.03 116.42 125.43 3k4j h ASP 521 Ca 0.26 -0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.55 3k4j h ASP 521 Cb 0.11 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 3k4j h ASP 521 CO -0.15 0.83 -0.30 -0.03 -2.88 0.00 0.00 179.24 176.71 3k4j h MET 522 N 1.33 0.69 -0.38 0.28 4.05 -0.89 0.14 114.93 120.15 3k4j h MET 522 Ca 0.36 -0.31 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 3k4j h MET 522 Cb -0.13 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 3k4j h MET 522 CO -0.08 0.91 0.15 0.00 0.23 0.00 0.00 176.91 178.12 3k4j h VAL 524 N 0.46 1.29 -0.17 0.00 2.07 -0.76 -3.03 116.25 116.12 3k4j h VAL 524 Ca 0.13 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3k4j h VAL 524 Cb 0.19 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3k4j h VAL 524 CO -0.01 0.23 0.07 -0.03 0.02 0.00 0.00 177.57 177.86 3k4j h MET 525 N -0.29 0.25 0.00 1.57 -1.53 -0.74 -3.06 114.93 111.13 3k4j h MET 525 Ca 0.01 -0.04 -0.05 0.00 -3.44 0.00 0.00 59.70 56.17 3k4j h MET 525 Cb 0.38 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.38 3k4j h MET 525 CO 0.00 0.32 -0.26 0.66 0.14 0.00 0.00 176.91 177.77 3k4j h SER 526 N 0.12 0.00 0.10 1.39 4.64 -1.23 -1.80 113.55 116.78 3k4j h SER 526 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3k4j h SER 526 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3k4j h SER 526 CO -0.01 0.26 -0.02 0.00 -0.87 0.00 0.00 176.83 176.20 3k4j h ALA 527 N 1.74 1.25 0.00 5.18 0.00 -1.42 -0.74 119.26 125.27 3k4j h ALA 527 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3k4j h ALA 527 Cb 0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3k4j h ALA 527 CO 0.03 0.02 -0.24 0.87 0.00 0.00 0.00 179.25 179.93 3k4j h LYS 528 N 0.00 0.00 0.01 0.00 1.57 -1.41 -3.27 116.57 113.47 3k4j h LYS 528 Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 3k4j h LYS 528 Cb 0.07 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 3k4j h LYS 528 CO 0.00 0.24 -2.31 -0.89 -0.57 0.00 0.00 179.45 175.92 3k4j n ILE 529 N -3.50 1.48 0.00 1.86 2.08 -0.34 -4.97 119.36 115.96 3k4j n ILE 529 Ca -0.00 -0.75 0.00 0.00 0.56 0.00 0.00 62.75 62.56 3k4j n ILE 529 Cb 0.40 -0.93 0.00 0.00 -0.75 0.00 0.00 39.64 38.37 3k4j n ILE 529 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3k4j n GLY 530 N 1.91 -0.40 3.88 7.39 0.00 -0.84 -0.85 105.19 116.28 3k4j n GLY 530 Ca -0.35 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 3k4j n GLY 530 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k4j s GLY 531 N 0.00 1.61 0.49 -0.02 0.00 -1.18 -4.04 107.32 104.18 3k4j s GLY 531 Ca 0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 44.72 44.07 3k4j s GLY 531 CO 0.00 -0.01 1.23 -1.36 0.00 0.00 0.00 173.10 172.96 3k4j s PHE 532 N -3.40 2.66 -0.26 1.90 0.08 -1.26 -1.14 117.98 116.55 3k4j s PHE 532 Ca 0.60 1.48 -0.25 0.00 0.12 0.00 0.00 56.93 58.88 3k4j s PHE 532 Cb -0.11 -3.53 -0.00 0.00 -0.57 0.00 0.00 43.02 38.81 3k4j s PHE 532 CO 0.51 -2.00 0.86 -1.17 -0.10 0.00 0.00 175.22 173.32 3k4j s LEU 533 N -3.23 4.07 0.32 -0.37 2.96 0.49 -4.65 118.68 118.27 3k4j s LEU 533 Ca 0.67 1.00 -0.29 0.00 -0.22 0.00 0.00 54.13 55.29 3k4j s LEU 533 Cb -0.33 -3.23 -0.13 0.00 0.50 0.00 0.00 46.19 43.01 3k4j s LEU 533 CO 0.39 -0.58 1.31 -2.65 -1.32 0.00 0.00 176.35 173.50 3k4j n PRO 534 N 6.14 2.10 0.00 0.98 -0.02 -1.26 -0.83 135.00 142.11 3k4j n PRO 534 Ca 0.06 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3k4j n PRO 534 Cb 0.47 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3k4j n PRO 534 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4j n GLY 535 N 1.05 1.77 2.59 -1.23 0.00 -1.26 -4.78 105.19 103.33 3k4j n GLY 535 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 3k4j n GLY 535 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k4j n SER 536 N 0.00 2.56 -4.85 1.61 7.64 -0.01 -5.07 113.62 115.49 3k4j n SER 536 Ca 0.00 -3.07 -0.31 0.00 1.01 0.00 0.00 58.87 56.50 3k4j n SER 536 Cb 0.00 -0.51 0.04 0.00 -1.01 0.00 0.00 64.21 62.73 3k4j n SER 536 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k4j s LEU 537 N -3.24 3.06 0.19 -3.43 1.43 -1.24 -1.67 118.68 113.79 3k4j s LEU 537 Ca 0.35 1.39 -0.32 0.00 -1.03 0.00 0.00 54.13 54.52 3k4j s LEU 537 Cb 0.43 -4.29 -0.11 0.00 0.03 0.00 0.00 46.19 42.25 3k4j s LEU 537 CO -0.04 -1.23 1.70 -2.16 0.23 0.00 0.00 176.35 174.84 3k4j s PRO 538 N -5.19 4.15 -0.00 1.29 0.04 -1.26 -4.64 135.00 129.39 3k4j s PRO 538 Ca 0.57 2.55 -0.20 0.00 0.04 0.00 0.00 61.00 63.96 3k4j s PRO 538 Cb -0.12 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.33 3k4j s PRO 538 CO 0.54 -0.73 0.45 1.14 0.04 0.00 0.00 177.00 178.44 3k4j s GLN 539 N 1.30 0.87 0.17 4.56 -2.07 -0.47 -4.99 119.66 119.03 3k4j s GLN 539 Ca 0.74 -0.13 -0.30 0.00 -1.82 0.00 0.00 55.36 53.86 3k4j s GLN 539 Cb -0.48 0.39 -0.07 0.00 -1.09 0.00 0.00 33.01 31.76 3k4j s GLN 539 CO 0.32 -0.27 0.97 -0.06 -1.32 0.00 0.00 175.29 174.93 3k4j s PHE 540 N -1.69 3.85 0.51 9.60 0.08 -1.26 -0.87 117.98 128.20 3k4j s PHE 540 Ca -0.10 1.82 -0.07 0.00 0.12 0.00 0.00 56.93 58.70 3k4j s PHE 540 Cb -0.02 -3.06 -0.04 0.00 -0.57 0.00 0.00 43.02 39.33 3k4j s PHE 540 CO 0.04 0.20 0.85 -1.64 -0.10 0.00 0.00 175.22 174.56 3k4j s MET 541 N -0.55 3.57 0.33 0.44 -1.94 -0.15 -4.97 119.30 116.04 3k4j s MET 541 Ca 0.45 0.36 -0.29 0.00 -1.71 0.00 0.00 55.69 54.50 3k4j s MET 541 Cb -0.25 -2.30 -0.12 0.00 2.01 0.00 0.00 34.83 34.17 3k4j s MET 541 CO 0.32 -0.29 1.42 -0.85 -0.01 0.00 0.00 175.02 175.61 3k4j n GLU 542 N -2.32 2.40 -1.66 2.03 0.00 -1.26 -4.77 120.64 115.06 3k4j n GLU 542 Ca 0.02 0.84 -0.50 0.00 0.00 0.00 0.00 57.16 57.52 3k4j n GLU 542 Cb 0.55 -2.52 -0.05 0.00 0.00 0.00 0.00 31.44 29.41 3k4j n GLU 542 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3k4j n PRO 543 N 1.00 1.86 -0.37 3.44 -0.02 -1.26 -1.85 135.00 137.80 3k4j n PRO 543 Ca 0.05 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3k4j n PRO 543 Cb 0.36 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 3k4j n PRO 543 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4j n GLY 544 N 4.68 0.71 0.29 -1.23 0.00 -1.26 -0.20 105.19 108.18 3k4j n GLY 544 Ca 0.26 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.36 3k4j n GLY 544 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k4j h LEU 545 N 0.00 0.20 -1.99 0.99 5.85 -1.40 -2.08 115.31 116.89 3k4j h LEU 545 Ca 0.00 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3k4j h LEU 545 Cb 0.00 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 3k4j h LEU 545 CO 0.00 0.14 -0.10 1.62 -0.34 0.00 0.00 178.44 179.76 3k4j h VAL 546 N 0.23 0.72 -5.80 1.05 3.04 -1.86 -3.48 116.25 110.16 3k4j h VAL 546 Ca 0.10 -0.40 -0.37 0.00 -1.01 0.00 0.00 66.70 65.02 3k4j h VAL 546 Cb 0.10 1.24 0.14 0.00 -2.01 0.00 0.00 31.29 30.76 3k4j h VAL 546 CO -0.02 0.10 -0.75 0.18 -1.01 0.00 0.00 177.57 176.07 3k4j n LEU 547 N -3.90 -3.67 -1.13 3.16 4.77 -0.79 -4.91 117.00 110.53 3k4j n LEU 547 Ca -0.02 -0.63 -0.03 0.00 -0.03 0.00 0.00 56.01 55.30 3k4j n LEU 547 Cb 0.19 -3.01 0.14 0.00 -2.33 0.00 0.00 43.42 38.41 3k4j n LEU 547 CO 0.31 0.46 0.28 1.41 -1.33 0.00 0.00 177.39 178.52 3k4j n HIS 548 N -4.42 0.79 -1.64 -1.77 8.25 -1.26 -5.04 115.22 110.13 3k4j n HIS 548 Ca -0.19 -1.65 -0.48 0.00 -0.26 0.00 0.00 57.72 55.14 3k4j n HIS 548 Cb 0.63 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 31.43 3k4j n HIS 548 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3k4j n LEU 549 N -0.87 2.62 0.00 2.41 7.94 -1.26 -4.52 117.00 123.32 3k4j n LEU 549 Ca 0.25 1.10 -0.15 0.00 -1.11 0.00 0.00 56.01 56.09 3k4j n LEU 549 Cb 0.80 -1.35 -0.05 0.00 0.53 0.00 0.00 43.42 43.35 3k4j n LEU 549 CO 0.08 -0.54 -0.09 0.61 -1.11 0.00 0.00 177.39 176.34 3k4j n GLY 550 N 3.10 3.45 2.58 -3.96 0.00 0.11 -4.35 105.19 106.13 3k4j n GLY 550 Ca 0.17 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3k4j n GLY 550 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4j n GLY 551 N 0.03 0.53 0.23 -0.02 0.00 -0.64 -1.57 105.19 103.75 3k4j n GLY 551 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 3k4j n GLY 551 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3k4j h THR 552 N 0.00 0.45 -1.27 2.61 1.35 -1.75 -3.32 112.91 110.97 3k4j h THR 552 Ca 0.00 -1.09 -0.41 0.00 -0.55 0.00 0.00 66.41 64.36 3k4j h THR 552 Cb 0.14 1.79 -0.30 0.00 -1.73 0.00 0.00 68.15 68.04 3k4j h THR 552 CO 0.00 0.19 -0.90 0.00 -0.25 0.00 0.00 175.52 174.55 3k4j n HIS 553 N -3.31 -1.18 -2.29 4.73 1.44 -0.14 -0.17 115.22 114.29 3k4j n HIS 553 Ca 0.01 -3.06 -0.32 0.00 -2.01 0.00 0.00 57.72 52.34 3k4j n HIS 553 Cb 0.44 0.34 -0.02 0.00 0.12 0.00 0.00 29.99 30.87 3k4j n HIS 553 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3k4j s ARG 554 N -1.00 3.81 0.20 -1.40 1.70 -1.12 -3.95 118.95 117.20 3k4j s ARG 554 Ca 0.34 0.97 -0.17 0.00 -0.47 0.00 0.00 55.73 56.40 3k4j s ARG 554 Cb 0.26 -2.11 -0.08 0.00 -0.57 0.00 0.00 34.95 32.45 3k4j s ARG 554 CO -0.11 -0.39 0.65 1.41 -1.08 0.00 0.00 175.30 175.78 3k4j s MET 555 N -4.18 4.10 0.15 3.89 -2.45 0.16 0.06 119.30 121.02 3k4j s MET 555 Ca 0.59 0.67 -0.17 0.00 -1.25 0.00 0.00 55.69 55.54 3k4j s MET 555 Cb -0.11 -2.84 0.06 0.00 1.25 0.00 0.00 34.83 33.19 3k4j s MET 555 CO 0.34 0.40 0.81 0.41 1.05 0.00 0.00 175.02 178.04 3k4j n GLY 556 N 0.60 0.75 0.10 2.11 0.00 0.05 -4.59 105.19 104.22 3k4j n GLY 556 Ca -0.03 -1.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.74 3k4j n GLY 556 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3k4j h PHE 557 N 1.78 0.40 -3.45 1.61 0.04 -1.93 -3.35 116.94 112.03 3k4j h PHE 557 Ca -0.22 -0.29 -0.36 0.00 2.80 0.00 0.00 57.97 59.90 3k4j h PHE 557 Cb 0.95 -0.02 -0.35 0.00 2.20 0.00 0.00 35.95 38.73 3k4j h PHE 557 CO 0.00 1.29 -0.75 0.34 -0.60 0.00 0.00 178.31 178.59 3k4j s ASP 558 N -6.96 0.67 0.19 2.17 2.15 -1.26 -4.95 116.67 108.68 3k4j s ASP 558 Ca -0.06 -0.04 -0.12 0.00 0.43 0.00 0.00 52.55 52.76 3k4j s ASP 558 Cb 0.07 -0.27 0.20 0.00 -0.30 0.00 0.00 42.92 42.62 3k4j s ASP 558 CO 0.86 -0.12 1.74 -0.08 -0.17 0.00 0.00 175.17 177.40 3k4j h GLU 559 N 7.46 0.34 0.00 4.34 4.81 -1.89 -1.03 114.58 128.61 3k4j h GLU 559 Ca -0.37 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 3k4j h GLU 559 Cb 1.13 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3k4j h GLU 559 CO 0.42 0.22 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.66 3k4j h LYS 560 N 0.35 0.02 -0.42 1.92 3.64 -1.97 -2.11 116.57 118.01 3k4j h LYS 560 Ca 0.25 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 3k4j h LYS 560 Cb 0.29 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3k4j h LYS 560 CO -0.27 0.90 -0.12 1.49 -2.27 0.00 0.00 179.45 179.19 3k4j h GLU 561 N -0.84 0.75 -0.37 1.90 4.81 -1.96 -3.01 114.58 115.86 3k4j h GLU 561 Ca -0.01 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3k4j h GLU 561 Cb 0.92 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.24 3k4j h GLU 561 CO 0.01 0.84 0.00 -0.25 -0.73 0.00 0.00 179.01 178.87 3k4j n ASP 562 N -4.16 3.23 -3.63 1.04 8.00 -0.40 -5.00 116.55 115.62 3k4j n ASP 562 Ca 0.01 -1.93 -0.27 0.00 0.71 0.00 0.00 54.79 53.31 3k4j n ASP 562 Cb 0.36 -0.24 0.04 0.00 -0.02 0.00 0.00 41.12 41.27 3k4j n ASP 562 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k4j n ASN 563 N 1.22 -4.70 -3.21 -2.24 5.03 -0.90 -4.89 115.26 105.57 3k4j n ASN 563 Ca 0.17 -0.94 -0.19 0.00 0.87 0.00 0.00 54.58 54.49 3k4j n ASN 563 Cb 0.53 -3.75 -0.07 0.00 -1.02 0.00 0.00 39.78 35.47 3k4j n ASN 563 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k4j s VAL 566 N -1.76 1.21 0.20 0.00 -7.23 -0.92 -2.15 120.40 109.75 3k4j s VAL 566 Ca 0.00 -1.66 -0.01 0.00 -1.81 0.00 0.00 61.98 58.49 3k4j s VAL 566 Cb 0.00 -1.45 0.04 0.00 0.56 0.00 0.00 36.38 35.53 3k4j s VAL 566 CO 0.00 -0.44 0.28 -0.46 -0.31 0.00 0.00 175.10 174.17 3k4j n ASN 567 N 0.60 0.27 0.00 4.85 0.23 -0.72 -0.77 115.26 119.71 3k4j n ASN 567 Ca -0.16 -1.25 0.12 0.00 -0.53 0.00 0.00 54.58 52.75 3k4j n ASN 567 Cb 0.57 -0.19 0.60 0.00 -2.08 0.00 0.00 39.78 38.68 3k4j n ASN 567 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3k4j n THR 568 N -1.93 0.24 0.74 5.53 -2.24 -1.26 -0.77 114.28 114.60 3k4j n THR 568 Ca 0.04 0.06 0.09 0.00 -2.27 0.00 0.00 64.05 61.98 3k4j n THR 568 Cb 0.15 -0.68 0.27 0.00 -2.10 0.00 0.00 70.33 67.98 3k4j n THR 568 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k4j n ASP 569 N -1.25 2.38 -1.39 3.42 8.00 -1.26 -4.70 116.55 121.74 3k4j n ASP 569 Ca 0.12 -1.89 -0.16 0.00 0.71 0.00 0.00 54.79 53.57 3k4j n ASP 569 Cb 0.17 -0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 41.00 3k4j n ASP 569 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3k4j n SER 570 N 0.79 -4.87 -4.77 -2.24 7.64 0.05 -4.25 113.62 105.98 3k4j n SER 570 Ca 0.17 0.28 -0.38 0.00 1.01 0.00 0.00 58.87 59.94 3k4j n SER 570 Cb 0.41 -3.84 -0.06 0.00 -1.01 0.00 0.00 64.21 59.71 3k4j n SER 570 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3k4j s ARG 571 N -3.77 4.22 0.08 1.43 3.52 -1.26 -1.51 118.95 121.66 3k4j s ARG 571 Ca 0.00 0.52 -0.31 0.00 -0.13 0.00 0.00 55.73 55.81 3k4j s ARG 571 Cb 0.00 -3.35 -0.08 0.00 -1.56 0.00 0.00 34.95 29.96 3k4j s ARG 571 CO 0.00 0.37 1.60 0.08 -0.81 0.00 0.00 175.30 176.54 3k4j s VAL 572 N -0.10 3.05 0.24 7.11 1.01 -0.09 -1.76 120.40 129.85 3k4j s VAL 572 Ca 0.27 0.56 -0.31 0.00 0.00 0.00 0.00 61.98 62.50 3k4j s VAL 572 Cb -0.16 -3.36 -0.13 0.00 0.00 0.00 0.00 36.38 32.72 3k4j s VAL 572 CO 0.13 0.01 1.42 0.49 0.00 0.00 0.00 175.10 177.15 3k4j n PHE 573 N 5.21 2.21 0.00 5.22 3.72 -0.91 -0.79 117.46 132.11 3k4j n PHE 573 Ca 0.15 0.42 0.00 0.00 -0.05 0.00 0.00 57.45 57.97 3k4j n PHE 573 Cb 0.41 -2.47 0.00 0.00 -0.94 0.00 0.00 39.48 36.48 3k4j n PHE 573 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k4j n GLY 574 N 2.16 3.09 3.67 1.37 0.00 -1.26 -5.01 105.19 109.21 3k4j n GLY 574 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3k4j n GLY 574 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4j s PHE 575 N -1.91 3.29 0.11 1.61 0.40 0.03 -4.08 117.98 117.42 3k4j s PHE 575 Ca 0.00 0.15 0.20 0.00 -0.60 0.00 0.00 56.93 56.68 3k4j s PHE 575 Cb 0.00 -2.03 0.65 0.00 0.51 0.00 0.00 43.02 42.15 3k4j s PHE 575 CO 0.00 0.27 1.71 0.87 0.70 0.00 0.00 175.22 178.77 3k4j h LYS 576 N 6.31 0.00 0.00 0.44 1.57 -1.48 -3.40 116.57 120.01 3k4j h LYS 576 Ca -0.41 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3k4j h LYS 576 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 3k4j h LYS 576 CO 0.68 0.35 -0.45 0.27 -0.57 0.00 0.00 179.45 179.73 3k4j n ASN 577 N -3.45 0.26 -4.14 0.86 6.94 -1.26 -5.02 115.26 109.45 3k4j n ASN 577 Ca 0.00 -2.12 -0.31 0.00 -0.02 0.00 0.00 54.58 52.14 3k4j n ASN 577 Cb 0.52 -0.23 -0.17 0.00 -2.36 0.00 0.00 39.78 37.55 3k4j n ASN 577 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3k4j s LEU 578 N -0.31 1.97 0.03 -4.53 2.96 -1.26 -1.31 118.68 116.24 3k4j s LEU 578 Ca 0.04 -0.53 0.06 0.00 -0.22 0.00 0.00 54.13 53.48 3k4j s LEU 578 Cb 0.03 -1.30 -0.02 0.00 0.50 0.00 0.00 46.19 45.40 3k4j s LEU 578 CO 0.00 0.08 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.57 3k4j s PHE 579 N 0.73 1.56 -0.07 5.38 0.40 -0.29 -0.92 117.98 124.76 3k4j s PHE 579 Ca -0.10 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 3k4j s PHE 579 Cb -0.16 -0.94 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 3k4j s PHE 579 CO 0.01 0.05 -0.18 -0.51 0.70 0.00 0.00 175.22 175.29 3k4j s LEU 580 N -0.97 2.51 0.15 -0.37 1.43 -0.57 -0.54 118.68 120.31 3k4j s LEU 580 Ca 0.05 -0.33 0.10 0.00 -1.03 0.00 0.00 54.13 52.92 3k4j s LEU 580 Cb -0.08 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3k4j s LEU 580 CO 0.01 0.27 -0.24 -0.83 0.23 0.00 0.00 176.35 175.78 3k4j s GLY 581 N -0.27 1.54 0.00 -3.19 0.00 -0.31 -4.79 107.32 100.30 3k4j s GLY 581 Ca 0.01 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.25 3k4j s GLY 581 CO 0.03 -1.49 0.00 0.61 0.00 0.00 0.00 173.10 172.25 3k4j n GLY 582 N 0.69 1.51 0.33 0.20 0.00 -1.26 -4.41 105.19 102.25 3k4j n GLY 582 Ca -0.16 -2.09 0.19 0.00 0.00 0.00 0.00 46.02 43.96 3k4j n GLY 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4j h GLY 584 N 0.00 0.00 2.00 0.00 0.00 -1.88 -1.42 103.07 101.77 3k4j h GLY 584 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 3k4j h GLY 584 CO -0.00 0.00 -0.27 3.43 0.00 0.00 0.00 176.54 179.70 3k4j h ASN 585 N 0.00 0.00 -2.75 0.19 2.35 -1.41 -0.28 115.58 113.68 3k4j h ASN 585 Ca -0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 3k4j h ASN 585 Cb 0.14 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3k4j h ASN 585 CO 0.00 0.27 1.03 -0.63 -1.65 0.00 0.00 177.43 176.45 3k4j s ILE 586 N -3.47 3.85 -2.82 2.81 1.01 -0.54 -0.67 121.20 121.38 3k4j s ILE 586 Ca 0.02 1.02 0.25 0.00 0.00 0.00 0.00 60.65 61.93 3k4j s ILE 586 Cb 0.09 -3.70 0.30 0.00 0.01 0.00 0.00 42.46 39.16 3k4j s ILE 586 CO 0.66 -0.14 1.39 -0.81 0.00 0.00 0.00 174.94 176.04 3k4j n PRO 587 N 7.04 2.19 -3.47 2.79 -0.04 -1.26 -1.63 135.00 140.63 3k4j n PRO 587 Ca 0.16 -1.74 -0.20 0.00 -0.04 0.00 0.00 63.50 61.69 3k4j n PRO 587 Cb 0.44 -1.47 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 3k4j n PRO 587 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3k4j s THR 588 N -1.94 3.09 -0.47 0.52 -4.23 -1.26 -4.78 115.64 106.57 3k4j s THR 588 Ca 0.31 -1.22 -0.27 0.00 -1.18 0.00 0.00 61.69 59.33 3k4j s THR 588 Cb 0.20 -3.08 0.03 0.00 1.34 0.00 0.00 72.50 70.99 3k4j s THR 588 CO 0.31 -0.06 1.03 0.00 -0.54 0.00 0.00 174.62 175.36 3k4j s ALA 589 N -2.37 3.20 0.03 3.99 0.00 -1.26 -4.83 121.76 120.52 3k4j s ALA 589 Ca 0.48 -0.63 0.05 0.00 0.00 0.00 0.00 51.96 51.86 3k4j s ALA 589 Cb -0.06 -3.76 -0.02 0.00 0.00 0.00 0.00 23.12 19.28 3k4j s ALA 589 CO 0.29 -2.14 -0.14 1.52 0.00 0.00 0.00 175.76 175.29 3k4j s TYR 590 N 4.08 1.21 -0.18 0.00 1.13 -1.26 -4.53 117.35 117.80 3k4j s TYR 590 Ca 0.42 -0.34 0.10 0.00 -1.41 0.00 0.00 57.07 55.85 3k4j s TYR 590 Cb -0.09 -0.73 -0.18 0.00 -1.10 0.00 0.00 41.96 39.86 3k4j s TYR 590 CO 0.29 0.03 -0.03 0.41 -2.51 0.00 0.00 175.55 173.73 3k4j n GLY 591 N 2.01 -0.63 3.75 5.49 0.00 -1.26 -4.15 105.19 110.40 3k4j n GLY 591 Ca -0.17 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 3k4j n GLY 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4j s ALA 592 N -2.42 1.97 0.13 4.61 0.00 -1.26 -4.27 121.76 120.52 3k4j s ALA 592 Ca -0.16 0.10 -0.31 0.00 0.00 0.00 0.00 51.96 51.59 3k4j s ALA 592 Cb 0.06 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 3k4j s ALA 592 CO 0.62 -1.99 1.41 -0.80 0.00 0.00 0.00 175.76 174.99 3k4j s ASN 593 N -3.44 6.80 0.00 0.00 -0.87 -1.26 -4.93 114.94 111.23 3k4j s ASN 593 Ca 0.62 2.37 0.28 0.00 -1.57 0.00 0.00 52.86 54.56 3k4j s ASN 593 Cb -0.17 -2.59 1.00 0.00 -0.02 0.00 0.00 41.25 39.47 3k4j s ASN 593 CO 0.56 -0.67 1.74 -0.81 -2.57 0.00 0.00 177.10 175.35 3k4j n PRO 594 N 3.87 0.22 -0.15 -0.60 -0.04 -1.26 -4.46 135.00 132.58 3k4j n PRO 594 Ca 0.11 -0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 3k4j n PRO 594 Cb 0.42 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 3k4j n PRO 594 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3k4j h THR 595 N 0.18 1.22 -0.97 0.52 2.02 -1.91 -1.25 112.91 112.72 3k4j h THR 595 Ca 0.00 -0.73 0.09 0.00 0.77 0.00 0.00 66.41 66.54 3k4j h THR 595 Cb 0.46 0.90 -0.07 0.00 -1.74 0.00 0.00 68.15 67.69 3k4j h THR 595 CO 0.00 0.26 0.61 0.25 0.37 0.00 0.00 175.52 177.01 3k4j h LEU 596 N 0.54 0.94 -0.32 2.58 5.85 -1.86 0.11 115.31 123.15 3k4j h LEU 596 Ca 0.14 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 3k4j h LEU 596 Cb 0.27 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3k4j h LEU 596 CO -0.00 0.56 -0.03 0.74 -0.34 0.00 0.00 178.44 179.36 3k4j h THR 597 N 1.05 1.27 -0.59 1.05 2.02 -1.69 -0.50 112.91 115.52 3k4j h THR 597 Ca 0.45 -1.03 0.07 0.00 0.77 0.00 0.00 66.41 66.67 3k4j h THR 597 Cb 0.31 1.29 -0.06 0.00 -1.74 0.00 0.00 68.15 67.95 3k4j h THR 597 CO -0.22 0.34 0.26 0.00 0.37 0.00 0.00 175.52 176.27 3k4j h ALA 598 N 0.83 0.77 -0.66 6.16 0.00 -0.77 -1.54 119.26 124.05 3k4j h ALA 598 Ca 0.09 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3k4j h ALA 598 Cb 0.50 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3k4j h ALA 598 CO 0.02 -0.13 0.36 1.98 0.00 0.00 0.00 179.25 181.49 3k4j h MET 599 N 0.48 0.91 -0.64 0.00 -1.53 -0.59 -1.11 114.93 112.45 3k4j h MET 599 Ca 0.28 -0.11 0.01 0.00 -3.44 0.00 0.00 59.70 56.45 3k4j h MET 599 Cb 0.28 -0.18 -0.04 0.00 -0.55 0.00 0.00 31.60 31.12 3k4j h MET 599 CO -0.24 0.69 0.42 0.77 0.14 0.00 0.00 176.91 178.68 3k4j h SER 600 N 0.90 0.71 -0.59 1.39 0.02 -0.74 -0.28 113.55 114.96 3k4j h SER 600 Ca 0.23 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 3k4j h SER 600 Cb 0.04 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3k4j h SER 600 CO -0.04 0.50 0.17 -0.07 -1.14 0.00 0.00 176.83 176.25 3k4j h LEU 601 N 0.84 0.90 -0.81 5.07 3.38 -1.07 -2.59 115.31 121.03 3k4j h LEU 601 Ca 0.24 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3k4j h LEU 601 Cb -0.06 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3k4j h LEU 601 CO -0.07 0.86 0.16 0.00 0.09 0.00 0.00 178.44 179.48 3k4j h ALA 602 N 1.25 1.02 -0.62 1.53 0.00 -0.34 -1.27 119.26 120.83 3k4j h ALA 602 Ca 0.20 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3k4j h ALA 602 Cb 0.31 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3k4j h ALA 602 CO -0.00 0.64 0.35 0.82 0.00 0.00 0.00 179.25 181.06 3k4j h ILE 603 N 1.00 1.01 -0.74 0.00 2.04 -0.77 -0.55 117.51 119.50 3k4j h ILE 603 Ca 0.21 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 3k4j h ILE 603 Cb 0.36 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3k4j h ILE 603 CO 0.00 0.12 0.32 0.50 0.00 0.00 0.00 178.15 179.10 3k4j h LYS 604 N 0.68 1.09 -0.37 2.37 3.64 -1.08 -1.80 116.57 121.09 3k4j h LYS 604 Ca 0.27 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3k4j h LYS 604 Cb 0.11 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3k4j h LYS 604 CO -0.15 0.87 0.23 1.03 -2.27 0.00 0.00 179.45 179.16 3k4j h SER 605 N 1.05 0.44 -0.93 4.20 0.87 -0.95 -2.61 113.55 115.62 3k4j h SER 605 Ca 0.25 -0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.86 3k4j h SER 605 Cb 0.17 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 61.95 3k4j h SER 605 CO -0.03 0.35 0.60 0.00 -0.53 0.00 0.00 176.83 177.23 3k4j h GLU 607 N 0.98 0.52 -0.11 0.00 5.08 -1.14 0.54 114.58 120.46 3k4j h GLU 607 Ca 0.43 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.76 3k4j h GLU 607 Cb 0.34 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3k4j h GLU 607 CO -0.18 0.36 0.05 -0.92 -1.00 0.00 0.00 179.01 177.31 3k4j h TYR 608 N 0.52 0.09 -0.63 4.33 5.03 -0.98 -1.29 116.97 124.04 3k4j h TYR 608 Ca 0.14 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.52 3k4j h TYR 608 Cb -0.04 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 38.16 3k4j h TYR 608 CO -0.04 0.05 0.33 0.82 -1.32 0.00 0.00 178.16 178.00 3k4j h ILE 609 N 0.11 0.93 -0.39 1.81 2.04 -0.96 -2.35 117.51 118.70 3k4j h ILE 609 Ca 0.04 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3k4j h ILE 609 Cb 0.01 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 3k4j h ILE 609 CO -0.04 0.11 0.22 0.11 0.00 0.00 0.00 178.15 178.55 3k4j h LYS 610 N 0.61 0.52 0.00 2.37 1.57 -0.53 -1.21 116.57 119.90 3k4j h LYS 610 Ca 0.29 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3k4j h LYS 610 Cb 0.22 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3k4j h LYS 610 CO -0.20 0.38 0.00 1.04 -0.57 0.00 0.00 179.45 180.10 3k4j n GLN 611 N -4.44 0.08 0.00 3.15 6.02 -0.52 -4.38 117.38 117.29 3k4j n GLN 611 Ca 0.03 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 3k4j n GLN 611 Cb 0.09 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.75 3k4j n GLN 611 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3k4j n ASN 612 N -1.73 0.04 -4.01 1.08 3.02 -0.92 -5.06 115.26 107.67 3k4j n ASN 612 Ca 0.06 -0.27 -0.21 0.00 -0.03 0.00 0.00 54.58 54.13 3k4j n ASN 612 Cb 0.34 0.27 -0.16 0.00 -0.61 0.00 0.00 39.78 39.62 3k4j n ASN 612 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3k4j s PHE 613 N -0.27 1.03 -0.16 3.10 0.08 -0.50 -5.07 117.98 116.18 3k4j s PHE 613 Ca 0.00 -0.26 -0.12 0.00 0.12 0.00 0.00 56.93 56.67 3k4j s PHE 613 Cb 0.00 -0.72 -0.05 0.00 -0.57 0.00 0.00 43.02 41.68 3k4j s PHE 613 CO 0.00 -0.11 0.22 0.99 -0.10 0.00 0.00 175.22 176.22 3k4j s THR 614 N 0.17 5.35 0.49 0.64 2.01 -1.26 -4.69 115.64 118.35 3k4j s THR 614 Ca -0.03 0.39 -0.23 0.00 0.31 0.00 0.00 61.69 62.13 3k4j s THR 614 Cb -0.09 -3.55 -0.08 0.00 0.01 0.00 0.00 72.50 68.80 3k4j s THR 614 CO 0.01 0.45 1.12 -2.65 -0.69 0.00 0.00 174.62 172.85 3k4j n PRO 615 N 3.26 1.43 -1.83 4.92 -0.02 -1.26 -4.99 135.00 136.50 3k4j n PRO 615 Ca -0.15 0.52 -0.32 0.00 -2.02 0.00 0.00 63.50 61.53 3k4j n PRO 615 Cb 0.52 -2.25 0.03 0.00 -0.02 0.00 0.00 33.50 31.79 3k4j n PRO 615 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3k4j s SER 616 N -0.85 5.54 0.34 2.55 1.04 -1.26 -4.98 113.70 116.07 3k4j s SER 616 Ca 0.67 1.77 -0.27 0.00 0.48 0.00 0.00 55.95 58.60 3k4j s SER 616 Cb -0.48 -2.52 -0.09 0.00 0.10 0.00 0.00 66.02 63.02 3k4j s SER 616 CO 0.53 -1.34 1.12 -2.84 0.98 0.00 0.00 173.24 171.70 3k4j s PRO 617 N -4.42 4.39 0.00 4.02 0.02 -1.26 -4.87 135.00 132.88 3k4j s PRO 617 Ca 0.62 1.78 0.10 0.00 0.02 0.00 0.00 61.00 63.52 3k4j s PRO 617 Cb -0.16 -2.93 0.62 0.00 0.02 0.00 0.00 34.50 32.05 3k4j s PRO 617 CO 0.44 -0.01 1.06 0.34 -0.33 0.00 0.00 177.00 178.50