#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4m s TYR 47 N 0.00 2.49 0.06 5.64 1.51 -0.48 -4.99 117.35 121.57 3k4m s TYR 47 Ca 0.00 -0.28 -0.24 0.00 -1.01 0.00 0.00 57.07 55.53 3k4m s TYR 47 Cb 0.00 -1.28 -0.16 0.00 -0.11 0.00 0.00 41.96 40.40 3k4m s TYR 47 CO 0.00 0.43 1.61 -0.44 -1.11 0.00 0.00 175.55 176.04 3k4m h ASP 48 N 3.45 -0.06 -4.11 2.29 3.32 -1.23 -2.89 116.42 117.19 3k4m h ASP 48 Ca -0.49 -0.11 -0.50 0.00 0.02 0.00 0.00 57.03 55.95 3k4m h ASP 48 Cb 1.18 0.01 -0.30 0.00 0.22 0.00 0.00 39.33 40.45 3k4m h ASP 48 CO 0.47 0.08 -0.82 -0.69 -1.72 0.00 0.00 179.24 176.56 3k4m s VAL 49 N -5.69 1.18 -0.09 -1.35 1.01 -1.05 -0.81 120.40 113.60 3k4m s VAL 49 Ca -0.14 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3k4m s VAL 49 Cb 0.05 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.43 3k4m s VAL 49 CO 0.66 0.34 -0.22 0.68 0.00 0.00 0.00 175.10 176.55 3k4m s VAL 50 N -0.20 1.91 -0.17 2.92 -7.23 -0.19 -1.56 120.40 115.88 3k4m s VAL 50 Ca 0.03 -0.94 -0.02 0.00 -1.81 0.00 0.00 61.98 59.23 3k4m s VAL 50 Cb -0.07 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.20 3k4m s VAL 50 CO 0.00 0.53 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.61 3k4m s ILE 51 N 0.33 3.35 -0.39 -0.62 1.01 -0.41 0.03 121.20 124.50 3k4m s ILE 51 Ca -0.17 -0.53 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 3k4m s ILE 51 Cb -0.17 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.84 3k4m s ILE 51 CO 0.08 0.48 0.33 -0.69 0.00 0.00 0.00 174.94 175.13 3k4m s VAL 52 N 0.81 5.21 0.00 2.92 1.01 0.12 -1.34 120.40 129.13 3k4m s VAL 52 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3k4m s VAL 52 Cb -0.15 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3k4m s VAL 52 CO 0.01 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.48 3k4m n GLY 53 N 5.11 2.85 0.98 4.51 0.00 0.37 0.28 105.19 119.30 3k4m n GLY 53 Ca -0.10 -1.45 0.03 0.00 0.00 0.00 0.00 46.02 44.51 3k4m n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k4m n SER 54 N 0.00 3.34 -3.19 1.61 3.41 -1.26 -4.26 113.62 113.27 3k4m n SER 54 Ca 0.00 -3.29 -0.20 0.00 -0.26 0.00 0.00 58.87 55.11 3k4m n SER 54 Cb 0.00 -0.58 0.18 0.00 -0.26 0.00 0.00 64.21 63.55 3k4m n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k4m n GLY 55 N -0.78 -3.19 0.17 5.00 0.00 -1.26 -2.61 105.19 102.52 3k4m n GLY 55 Ca 0.26 -1.39 0.14 0.00 0.00 0.00 0.00 46.02 45.03 3k4m n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4m h PRO 56 N 0.00 0.00 -0.04 1.61 0.13 -1.92 -1.73 132.00 130.06 3k4m h PRO 56 Ca -0.27 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.74 3k4m h PRO 56 Cb 0.87 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.01 3k4m h PRO 56 CO 0.17 0.00 -0.43 0.82 -0.23 0.00 0.00 178.00 178.33 3k4m h ILE 57 N 0.00 1.44 -0.95 -3.56 1.08 -1.91 -1.34 117.51 112.27 3k4m h ILE 57 Ca 0.00 -1.91 0.09 0.00 -0.39 0.00 0.00 64.86 62.65 3k4m h ILE 57 Cb 0.47 2.49 -0.07 0.00 -3.07 0.00 0.00 36.82 36.65 3k4m h ILE 57 CO 0.00 0.55 0.61 1.23 -0.69 0.00 0.00 178.15 179.85 3k4m h GLY 58 N -0.17 1.43 2.00 5.37 0.00 -1.69 -0.99 103.07 109.03 3k4m h GLY 58 Ca -0.04 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 3k4m h GLY 58 CO 0.09 0.25 -0.29 0.00 0.00 0.00 0.00 176.54 176.59 3k4m h THR 60 N 0.00 1.28 -0.57 0.00 2.02 -0.00 -0.69 112.91 114.95 3k4m h THR 60 Ca -0.00 -1.04 -0.05 0.00 0.77 0.00 0.00 66.41 66.09 3k4m h THR 60 Cb 1.07 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 3k4m h THR 60 CO 0.04 0.33 0.18 1.88 0.37 0.00 0.00 175.52 178.32 3k4m h TYR 61 N 0.26 0.92 0.50 3.16 0.05 -1.03 -1.75 116.97 119.08 3k4m h TYR 61 Ca 0.07 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 3k4m h TYR 61 Cb 0.50 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 3k4m h TYR 61 CO 0.05 0.77 -0.41 0.00 -1.05 0.00 0.00 178.16 177.51 3k4m h ALA 62 N 1.05 -0.96 -0.65 3.88 0.00 -1.06 0.48 119.26 122.01 3k4m h ALA 62 Ca 0.18 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.05 3k4m h ALA 62 Cb 0.28 0.57 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 3k4m h ALA 62 CO -0.01 -1.07 -0.21 -0.09 0.00 0.00 0.00 179.25 177.87 3k4m h ARG 63 N -0.90 -0.04 0.07 0.00 2.43 -1.10 0.70 114.38 115.53 3k4m h ARG 63 Ca -0.05 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3k4m h ARG 63 Cb 0.77 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3k4m h ARG 63 CO -0.01 -0.03 -0.03 0.93 -1.51 0.00 0.00 179.97 179.31 3k4m h GLU 64 N -0.05 -0.09 0.10 0.20 4.39 -1.05 -2.83 114.58 115.25 3k4m h GLU 64 Ca 0.30 0.01 -0.28 0.00 0.34 0.00 0.00 59.36 59.73 3k4m h GLU 64 Cb 0.51 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 3k4m h GLU 64 CO -0.69 0.20 -1.33 -0.07 -1.16 0.00 0.00 179.01 175.95 3k4m h LEU 65 N -0.37 0.32 -0.41 1.33 3.38 -0.27 -0.60 115.31 118.69 3k4m h LEU 65 Ca -0.01 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 3k4m h LEU 65 Cb 0.32 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3k4m h LEU 65 CO 0.01 1.31 0.00 0.58 0.09 0.00 0.00 178.44 180.44 3k4m h VAL 66 N 0.06 1.26 0.00 1.22 2.07 0.25 -1.36 116.25 119.75 3k4m h VAL 66 Ca -0.16 -1.01 -0.10 0.00 0.82 0.00 0.00 66.70 66.26 3k4m h VAL 66 Cb 1.96 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 3k4m h VAL 66 CO 0.17 0.34 -0.45 1.23 0.02 0.00 0.00 177.57 178.88 3k4m h GLY 67 N 0.55 0.00 1.41 2.17 0.00 -1.44 -2.56 103.07 103.21 3k4m h GLY 67 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3k4m h GLY 67 CO 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.48 3k4m n ALA 68 N -2.39 2.63 0.00 3.60 0.00 -0.24 -4.89 120.51 119.22 3k4m n ALA 68 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3k4m n ALA 68 Cb 0.51 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3k4m n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4m n GLY 69 N 1.35 0.85 3.81 0.00 0.00 -0.96 -4.98 105.19 105.26 3k4m n GLY 69 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3k4m n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k4m s TYR 70 N -2.00 3.09 -0.90 1.61 1.51 -0.53 -4.78 117.35 115.36 3k4m s TYR 70 Ca 0.00 1.48 -0.22 0.00 -1.01 0.00 0.00 57.07 57.32 3k4m s TYR 70 Cb 0.00 -2.94 0.08 0.00 -0.11 0.00 0.00 41.96 38.98 3k4m s TYR 70 CO 0.00 -1.03 1.25 0.21 -1.11 0.00 0.00 175.55 174.87 3k4m s LYS 71 N -4.31 3.47 -0.15 -0.62 2.20 -1.26 -4.28 119.74 114.79 3k4m s LYS 71 Ca 0.62 -1.19 -0.07 0.00 -0.36 0.00 0.00 55.97 54.96 3k4m s LYS 71 Cb -0.15 -4.90 -0.04 0.00 -1.51 0.00 0.00 37.83 31.23 3k4m s LYS 71 CO 0.40 -1.99 0.11 0.08 -0.36 0.00 0.00 175.35 173.59 3k4m s VAL 72 N 4.15 5.28 0.03 4.02 1.01 -1.01 -0.70 120.40 133.18 3k4m s VAL 72 Ca 0.37 0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.55 3k4m s VAL 72 Cb -0.05 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 3k4m s VAL 72 CO -0.04 0.55 -0.21 0.00 0.00 0.00 0.00 175.10 175.39 3k4m s ALA 73 N -0.43 2.44 0.01 5.51 0.00 -0.60 -1.46 121.76 127.24 3k4m s ALA 73 Ca 0.11 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 50.93 3k4m s ALA 73 Cb -0.12 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 3k4m s ALA 73 CO 0.02 0.55 -0.16 1.41 0.00 0.00 0.00 175.76 177.58 3k4m s MET 74 N -1.24 1.19 -0.02 0.00 1.75 0.15 -1.29 119.30 119.83 3k4m s MET 74 Ca 0.13 -0.67 0.07 0.00 -1.25 0.00 0.00 55.69 53.96 3k4m s MET 74 Cb -0.10 -1.18 -0.02 0.00 2.84 0.00 0.00 34.83 36.37 3k4m s MET 74 CO 0.03 0.31 -0.23 -0.06 -0.65 0.00 0.00 175.02 174.42 3k4m s PHE 75 N -0.57 2.09 -0.02 4.11 0.08 -0.45 -1.20 117.98 122.02 3k4m s PHE 75 Ca 0.05 -0.43 0.02 0.00 0.12 0.00 0.00 56.93 56.69 3k4m s PHE 75 Cb -0.07 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 41.03 3k4m s PHE 75 CO 0.00 -0.06 -0.07 0.34 -0.10 0.00 0.00 175.22 175.33 3k4m s ASP 76 N -0.47 0.92 0.49 1.36 -1.08 -0.93 -0.47 116.67 116.49 3k4m s ASP 76 Ca 0.07 -0.14 0.28 0.00 -0.52 0.00 0.00 52.55 52.24 3k4m s ASP 76 Cb -0.10 -0.22 1.19 0.00 -1.46 0.00 0.00 42.92 42.34 3k4m s ASP 76 CO -0.00 0.05 1.94 -0.29 0.52 0.00 0.00 175.17 177.38 3k4m h ILE 77 N 5.32 0.40 -4.73 4.11 2.10 -1.80 0.36 117.51 123.27 3k4m h ILE 77 Ca -0.32 -0.81 -0.17 0.00 1.08 0.00 0.00 64.86 64.64 3k4m h ILE 77 Cb 1.17 1.59 0.01 0.00 -1.09 0.00 0.00 36.82 38.51 3k4m h ILE 77 CO 0.49 0.14 -0.01 0.61 -1.08 0.00 0.00 178.15 178.30 3k4m n GLY 78 N -0.09 1.66 3.56 8.18 0.00 -1.26 -3.49 105.19 113.75 3k4m n GLY 78 Ca -0.00 -2.12 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 3k4m n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4m s GLU 79 N -3.04 1.85 -0.30 1.61 2.02 -1.26 0.10 118.70 119.68 3k4m s GLU 79 Ca 0.22 -2.00 -0.29 0.00 0.02 0.00 0.00 54.97 52.93 3k4m s GLU 79 Cb -0.02 -1.60 0.00 0.00 0.10 0.00 0.00 34.13 32.62 3k4m s GLU 79 CO 0.14 0.04 1.23 0.42 0.02 0.00 0.00 175.26 177.12 3k4m s ILE 80 N -2.71 4.26 -0.46 -1.63 1.01 -1.26 -1.89 121.20 118.51 3k4m s ILE 80 Ca 0.33 1.43 0.06 0.00 0.00 0.00 0.00 60.65 62.48 3k4m s ILE 80 Cb 0.06 -4.22 0.19 0.00 0.01 0.00 0.00 42.46 38.50 3k4m s ILE 80 CO 0.17 -0.46 0.57 -0.90 0.00 0.00 0.00 174.94 174.32 3k4m n ASP 81 N 7.33 -1.94 -1.33 3.58 5.75 -1.26 -4.95 116.55 123.73 3k4m n ASP 81 Ca 0.14 -2.71 -0.02 0.00 -0.01 0.00 0.00 54.79 52.19 3k4m n ASP 81 Cb 0.47 0.64 -0.02 0.00 -1.03 0.00 0.00 41.12 41.18 3k4m n ASP 81 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3k4m n SER 82 N 2.68 -0.08 0.00 -1.12 7.64 -1.26 -5.00 113.62 116.48 3k4m n SER 82 Ca 0.22 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 58.10 3k4m n SER 82 Cb 0.53 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 3k4m n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4m n GLY 83 N 0.14 -1.34 0.10 0.23 0.00 -1.26 -4.31 105.19 98.75 3k4m n GLY 83 Ca -0.12 -1.35 -0.03 0.00 0.00 0.00 0.00 46.02 44.53 3k4m n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k4m h LEU 84 N 0.00 0.00 -8.53 0.99 3.38 -2.02 -3.39 115.31 105.74 3k4m h LEU 84 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3k4m h LEU 84 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 3k4m h LEU 84 CO 0.00 0.77 1.03 -0.54 0.09 0.00 0.00 178.44 179.80 3k4m s LYS 85 N -2.88 3.38 0.11 1.13 1.02 -1.26 -4.97 119.74 116.27 3k4m s LYS 85 Ca 0.02 0.19 -0.31 0.00 0.02 0.00 0.00 55.97 55.89 3k4m s LYS 85 Cb 0.09 -4.08 -0.07 0.00 -0.52 0.00 0.00 37.83 33.24 3k4m s LYS 85 CO 0.78 -1.87 1.35 0.42 -0.92 0.00 0.00 175.35 175.11 3k4m s ILE 86 N 5.46 3.45 -0.33 2.17 1.01 -1.26 -1.84 121.20 129.86 3k4m s ILE 86 Ca 0.44 1.05 0.00 0.00 0.00 0.00 0.00 60.65 62.13 3k4m s ILE 86 Cb -0.08 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.72 3k4m s ILE 86 CO 0.23 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.86 3k4m n GLY 87 N 3.37 0.60 3.72 6.18 0.00 -1.26 -4.32 105.19 113.48 3k4m n GLY 87 Ca 0.11 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 3k4m n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m s ALA 88 N -1.96 1.25 0.11 4.61 0.00 -0.77 -3.26 121.76 121.75 3k4m s ALA 88 Ca 0.00 -0.79 -0.27 0.00 0.00 0.00 0.00 51.96 50.90 3k4m s ALA 88 Cb 0.00 -2.94 -0.07 0.00 0.00 0.00 0.00 23.12 20.11 3k4m s ALA 88 CO 0.00 -2.92 0.84 -1.58 0.00 0.00 0.00 175.76 172.10 3k4m s HIS 89 N -3.23 3.83 -0.87 0.00 2.46 -1.26 -4.47 115.29 111.75 3k4m s HIS 89 Ca 0.69 1.66 0.27 0.00 0.47 0.00 0.00 55.06 58.14 3k4m s HIS 89 Cb -0.11 -2.89 0.92 0.00 -0.13 0.00 0.00 32.58 30.36 3k4m s HIS 89 CO 0.55 0.33 1.76 1.63 -2.47 0.00 0.00 174.74 176.54 3k4m n LYS 90 N 2.37 0.12 -0.20 2.88 5.02 -0.21 -2.75 118.16 125.39 3k4m n LYS 90 Ca -0.02 0.09 0.07 0.00 -2.02 0.00 0.00 58.31 56.43 3k4m n LYS 90 Cb 0.49 -1.63 0.21 0.00 -0.02 0.00 0.00 35.03 34.08 3k4m n LYS 90 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3k4m n LYS 91 N -1.83 1.97 -0.97 1.97 2.85 -1.26 -4.16 118.16 116.72 3k4m n LYS 91 Ca 0.06 -1.50 -0.15 0.00 -1.05 0.00 0.00 58.31 55.67 3k4m n LYS 91 Cb 0.38 -1.34 -0.02 0.00 -0.65 0.00 0.00 35.03 33.40 3k4m n LYS 91 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3k4m n ASN 92 N 0.72 6.11 -4.57 -5.58 3.02 -1.11 -4.34 115.26 109.50 3k4m n ASN 92 Ca 0.14 -2.90 -0.33 0.00 -0.03 0.00 0.00 54.58 51.46 3k4m n ASN 92 Cb 0.36 -1.16 -0.11 0.00 -0.61 0.00 0.00 39.78 38.26 3k4m n ASN 92 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3k4m s THR 93 N -1.43 3.58 0.27 3.41 -4.23 -1.26 -5.00 115.64 110.98 3k4m s THR 93 Ca 0.36 -0.61 -0.00 0.00 -1.18 0.00 0.00 61.69 60.26 3k4m s THR 93 Cb 0.24 -2.49 0.26 0.00 1.34 0.00 0.00 72.50 71.86 3k4m s THR 93 CO -0.05 0.53 1.70 0.58 -0.54 0.00 0.00 174.62 176.84 3k4m h VAL 94 N 4.10 0.53 -0.39 2.29 2.07 -1.97 -2.06 116.25 120.83 3k4m h VAL 94 Ca -0.48 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 66.94 3k4m h VAL 94 Cb 1.17 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3k4m h VAL 94 CO 0.52 0.07 0.18 -0.08 0.02 0.00 0.00 177.57 178.28 3k4m h GLU 95 N 0.39 0.35 -0.11 1.57 4.57 -1.94 -1.04 114.58 118.37 3k4m h GLU 95 Ca 0.49 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 58.50 3k4m h GLU 95 Cb 0.87 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 3k4m h GLU 95 CO -0.49 0.23 -0.57 1.88 -1.18 0.00 0.00 179.01 178.88 3k4m h TYR 96 N 0.36 0.42 0.00 0.92 0.05 -1.72 0.11 116.97 117.12 3k4m h TYR 96 Ca 0.17 -0.15 -0.07 0.00 0.05 0.00 0.00 58.73 58.73 3k4m h TYR 96 Cb 0.10 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 3k4m h TYR 96 CO -0.11 0.82 -0.32 1.96 -1.05 0.00 0.00 178.16 179.46 3k4m h GLN 97 N 0.25 0.00 0.00 4.88 4.20 -1.15 0.45 115.11 123.74 3k4m h GLN 97 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3k4m h GLN 97 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 3k4m h GLN 97 CO 0.09 0.32 -0.23 1.63 -0.67 0.00 0.00 178.83 179.98 3k4m n LYS 98 N -3.37 0.27 -2.58 1.46 5.02 -0.42 -4.34 118.16 114.21 3k4m n LYS 98 Ca 0.01 0.17 -0.15 0.00 -2.02 0.00 0.00 58.31 56.31 3k4m n LYS 98 Cb 0.53 -1.76 0.02 0.00 -0.02 0.00 0.00 35.03 33.80 3k4m n LYS 98 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3k4m n ASN 99 N -2.21 2.78 -0.22 4.39 3.02 0.35 -4.98 115.26 118.39 3k4m n ASN 99 Ca 0.05 -3.06 0.09 0.00 -0.03 0.00 0.00 54.58 51.62 3k4m n ASN 99 Cb 0.43 -0.49 0.36 0.00 -0.61 0.00 0.00 39.78 39.48 3k4m n ASN 99 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3k4m h ILE 100 N 3.02 0.94 0.00 2.41 -0.00 -0.36 -0.47 117.51 123.05 3k4m h ILE 100 Ca 0.06 -0.25 -0.05 0.00 -0.00 0.00 0.00 64.86 64.62 3k4m h ILE 100 Cb 1.12 0.15 -0.01 0.00 -0.00 0.00 0.00 36.82 38.07 3k4m h ILE 100 CO 0.61 0.13 -0.23 0.44 -0.00 0.00 0.00 178.15 179.10 3k4m h ASP 101 N 0.73 0.00 0.00 2.19 3.32 -1.83 -1.06 116.42 119.77 3k4m h ASP 101 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 3k4m h ASP 101 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3k4m h ASP 101 CO -0.15 0.23 0.25 0.11 -1.72 0.00 0.00 179.24 177.97 3k4m h LYS 102 N 0.00 0.00 0.00 3.56 1.79 -1.36 -3.09 116.57 117.47 3k4m h LYS 102 Ca -0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 3k4m h LYS 102 Cb 0.53 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 3k4m h LYS 102 CO 0.03 0.00 -0.21 0.35 -1.08 0.00 0.00 179.45 178.55 3k4m h PHE 103 N 0.00 0.00 -0.68 -1.35 3.57 -1.33 -2.76 116.94 114.39 3k4m h PHE 103 Ca 0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 3k4m h PHE 103 Cb 0.51 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 3k4m h PHE 103 CO 0.00 0.21 0.45 0.28 -2.23 0.00 0.00 178.31 177.02 3k4m h VAL 104 N 0.00 0.89 -0.39 1.41 2.07 -1.75 0.10 116.25 118.58 3k4m h VAL 104 Ca -0.00 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 3k4m h VAL 104 Cb 0.71 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3k4m h VAL 104 CO 0.03 0.09 -0.04 0.78 0.02 0.00 0.00 177.57 178.44 3k4m h ASN 105 N 0.49 0.62 -0.37 0.57 4.21 -1.73 -1.58 115.58 117.79 3k4m h ASN 105 Ca 0.32 -0.15 -0.12 0.00 1.21 0.00 0.00 56.30 57.57 3k4m h ASN 105 Cb 0.59 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 3k4m h ASN 105 CO -0.10 0.72 -0.23 0.58 -1.29 0.00 0.00 177.43 177.10 3k4m h VAL 106 N 0.60 1.28 -0.36 2.81 2.07 -0.95 -0.36 116.25 121.34 3k4m h VAL 106 Ca 0.12 -1.38 0.04 0.00 0.82 0.00 0.00 66.70 66.30 3k4m h VAL 106 Cb 0.44 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3k4m h VAL 106 CO 0.02 0.46 0.12 0.40 0.02 0.00 0.00 177.57 178.59 3k4m h ILE 107 N 0.60 0.89 -0.23 4.57 2.04 -1.23 -2.88 117.51 121.27 3k4m h ILE 107 Ca 0.08 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 3k4m h ILE 107 Cb 0.79 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3k4m h ILE 107 CO 0.06 0.05 -0.13 1.56 0.00 0.00 0.00 178.15 179.69 3k4m h GLN 108 N 0.27 0.37 0.00 2.37 4.20 -1.08 -1.93 115.11 119.31 3k4m h GLN 108 Ca 0.17 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3k4m h GLN 108 Cb 0.15 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3k4m h GLN 108 CO -0.17 0.51 0.00 0.78 -0.67 0.00 0.00 178.83 179.28 3k4m h GLY 109 N 0.86 0.00 -1.64 3.46 0.00 -0.84 -3.19 103.07 101.72 3k4m h GLY 109 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 3k4m h GLY 109 CO 0.03 0.00 -0.64 0.61 0.00 0.00 0.00 176.54 176.53 3k4m n GLN 110 N -3.04 0.63 -3.67 4.80 10.64 -0.74 -4.91 117.38 121.10 3k4m n GLN 110 Ca -0.01 -2.27 -0.38 0.00 -1.83 0.00 0.00 57.00 52.50 3k4m n GLN 110 Cb 0.17 -0.77 -0.10 0.00 -0.86 0.00 0.00 30.24 28.69 3k4m n GLN 110 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3k4m s LEU 111 N -1.33 5.46 -0.21 2.61 1.43 -1.11 -3.83 118.68 121.69 3k4m s LEU 111 Ca 0.29 -1.97 -0.16 0.00 -1.03 0.00 0.00 54.13 51.25 3k4m s LEU 111 Cb 0.30 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 3k4m s LEU 111 CO -0.08 -0.61 0.42 -0.04 0.23 0.00 0.00 176.35 176.26 3k4m s MET 112 N 1.25 4.16 0.35 1.70 -1.94 -0.03 -4.83 119.30 119.96 3k4m s MET 112 Ca 0.07 0.22 -0.29 0.00 -1.71 0.00 0.00 55.69 53.98 3k4m s MET 112 Cb -0.24 -3.55 -0.11 0.00 2.01 0.00 0.00 34.83 32.93 3k4m s MET 112 CO -0.03 -0.08 1.49 0.43 -0.01 0.00 0.00 175.02 176.82 3k4m n SER 113 N 4.62 3.68 0.05 3.03 7.64 -1.26 -0.92 113.62 130.46 3k4m n SER 113 Ca -0.08 1.20 -0.13 0.00 1.01 0.00 0.00 58.87 60.88 3k4m n SER 113 Cb 0.51 -1.60 -0.09 0.00 -1.01 0.00 0.00 64.21 62.03 3k4m n SER 113 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3k4m h VAL 114 N 3.00 1.09 -2.63 0.44 2.07 -1.37 -3.45 116.25 115.40 3k4m h VAL 114 Ca -0.49 -0.68 -0.26 0.00 0.82 0.00 0.00 66.70 66.08 3k4m h VAL 114 Cb 1.24 1.52 -0.34 0.00 -1.52 0.00 0.00 31.29 32.20 3k4m h VAL 114 CO 0.68 0.17 -0.58 -0.55 0.02 0.00 0.00 177.57 177.30 3k4m s SER 115 N -5.38 0.86 -0.23 0.57 0.15 -1.26 -4.59 113.70 103.83 3k4m s SER 115 Ca -0.15 0.15 -0.05 0.00 0.70 0.00 0.00 55.95 56.60 3k4m s SER 115 Cb 0.03 0.55 -0.02 0.00 -1.71 0.00 0.00 66.02 64.88 3k4m s SER 115 CO 0.64 -0.29 -0.00 -0.69 1.20 0.00 0.00 173.24 174.10 3k4m s VAL 116 N 2.38 3.72 1.06 4.45 1.01 -1.26 -4.81 120.40 126.94 3k4m s VAL 116 Ca 0.05 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 3k4m s VAL 116 Cb -0.14 -2.71 0.22 0.00 0.00 0.00 0.00 36.38 33.75 3k4m s VAL 116 CO -0.11 0.39 1.14 -2.16 0.00 0.00 0.00 175.10 174.37 3k4m s PRO 117 N 1.50 -0.09 0.22 2.72 0.04 -1.26 -0.61 135.00 137.52 3k4m s PRO 117 Ca 0.06 0.10 -0.31 0.00 0.04 0.00 0.00 61.00 60.89 3k4m s PRO 117 Cb -0.15 -1.71 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 3k4m s PRO 117 CO -0.01 -2.99 1.51 0.08 0.04 0.00 0.00 177.00 175.63 3k4m s VAL 118 N -3.17 2.58 0.10 -0.36 1.01 -1.26 -4.62 120.40 114.68 3k4m s VAL 118 Ca 0.68 0.46 -0.31 0.00 0.00 0.00 0.00 61.98 62.82 3k4m s VAL 118 Cb -0.12 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.90 3k4m s VAL 118 CO 0.55 0.06 1.23 0.21 0.00 0.00 0.00 175.10 177.15 3k4m s ASN 119 N 0.69 7.04 -0.10 3.32 3.84 -1.26 -4.95 114.94 123.53 3k4m s ASN 119 Ca 0.64 2.11 0.13 0.00 0.21 0.00 0.00 52.86 55.96 3k4m s ASN 119 Cb -0.43 -2.59 0.23 0.00 -0.55 0.00 0.00 41.25 37.91 3k4m s ASN 119 CO 0.39 -0.47 1.12 0.35 -2.79 0.00 0.00 177.10 175.69 3k4m n THR 120 N 3.61 1.32 -2.08 -5.21 -2.24 -1.26 -4.82 114.28 103.60 3k4m n THR 120 Ca 0.08 -1.70 -0.39 0.00 -2.27 0.00 0.00 64.05 59.77 3k4m n THR 120 Cb 0.45 0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 3k4m n THR 120 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4m s LEU 121 N -2.00 4.24 -0.30 3.22 1.43 -1.26 -5.00 118.68 119.01 3k4m s LEU 121 Ca 0.24 2.63 -0.11 0.00 -1.03 0.00 0.00 54.13 55.86 3k4m s LEU 121 Cb 0.22 -3.88 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 3k4m s LEU 121 CO 0.00 -0.80 0.20 -0.69 0.23 0.00 0.00 176.35 175.29 3k4m s VAL 122 N -1.26 5.25 -0.39 -1.59 1.01 -1.26 -5.03 120.40 117.13 3k4m s VAL 122 Ca 0.56 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.56 3k4m s VAL 122 Cb -0.38 -3.56 0.11 0.00 0.00 0.00 0.00 36.38 32.55 3k4m s VAL 122 CO 0.48 0.17 0.16 -0.69 0.00 0.00 0.00 175.10 175.23 3k4m s VAL 123 N 1.74 3.04 -0.30 2.92 1.01 -1.26 -4.93 120.40 122.62 3k4m s VAL 123 Ca 0.07 -2.10 0.14 0.00 0.00 0.00 0.00 61.98 60.09 3k4m s VAL 123 Cb -0.16 -3.11 0.38 0.00 0.00 0.00 0.00 36.38 33.49 3k4m s VAL 123 CO 0.11 -0.65 1.29 -0.90 0.00 0.00 0.00 175.10 174.94 3k4m n ASP 124 N 4.52 3.17 -0.63 3.32 5.75 -1.26 -4.46 116.55 126.96 3k4m n ASP 124 Ca -0.01 -2.73 0.07 0.00 -0.01 0.00 0.00 54.79 52.11 3k4m n ASP 124 Cb 0.42 -0.40 0.19 0.00 -1.03 0.00 0.00 41.12 40.29 3k4m n ASP 124 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3k4m n THR 125 N -0.51 1.68 -0.98 2.12 -2.24 -1.26 -5.01 114.28 108.07 3k4m n THR 125 Ca 0.16 -1.53 -0.33 0.00 -2.27 0.00 0.00 64.05 60.08 3k4m n THR 125 Cb 0.68 0.08 0.13 0.00 -2.10 0.00 0.00 70.33 69.12 3k4m n THR 125 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3k4m n LEU 126 N -0.25 3.18 -4.77 3.22 4.77 -1.26 -4.95 117.00 116.94 3k4m n LEU 126 Ca 0.15 0.51 -0.38 0.00 -0.03 0.00 0.00 56.01 56.27 3k4m n LEU 126 Cb 0.64 -1.43 -0.01 0.00 -2.33 0.00 0.00 43.42 40.30 3k4m n LEU 126 CO 0.10 -2.21 0.86 -0.55 -1.33 0.00 0.00 177.39 174.26 3k4m s SER 127 N -2.16 6.15 0.34 -1.43 0.15 -1.26 -4.90 113.70 110.59 3k4m s SER 127 Ca 0.69 2.40 0.18 0.00 0.70 0.00 0.00 55.95 59.91 3k4m s SER 127 Cb -0.27 -2.61 0.98 0.00 -1.71 0.00 0.00 66.02 62.41 3k4m s SER 127 CO 0.55 -0.94 1.50 -0.65 1.20 0.00 0.00 173.24 174.91 3k4m h PRO 128 N 2.15 0.00 0.00 5.44 0.11 -2.00 -1.90 132.00 135.81 3k4m h PRO 128 Ca -0.49 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3k4m h PRO 128 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3k4m h PRO 128 CO 0.60 0.00 -0.86 1.79 -0.21 0.00 0.00 178.00 179.33 3k4m h THR 129 N 0.00 0.21 -3.88 -1.15 1.35 -2.03 -3.47 112.91 103.94 3k4m h THR 129 Ca 0.00 -1.36 -0.51 0.00 -0.55 0.00 0.00 66.41 63.99 3k4m h THR 129 Cb 0.34 1.82 0.04 0.00 -1.73 0.00 0.00 68.15 68.61 3k4m h THR 129 CO 0.00 0.12 0.52 -0.44 -0.25 0.00 0.00 175.52 175.47 3k4m s SER 130 N -5.74 6.88 0.16 5.36 0.01 -0.72 -4.95 113.70 114.71 3k4m s SER 130 Ca 0.01 2.39 -0.32 0.00 1.31 0.00 0.00 55.95 59.35 3k4m s SER 130 Cb 0.08 -2.63 -0.11 0.00 0.21 0.00 0.00 66.02 63.58 3k4m s SER 130 CO 0.77 -0.43 1.67 0.86 0.41 0.00 0.00 173.24 176.52 3k4m s TRP 131 N -1.26 2.80 0.01 2.43 -0.00 -1.26 -4.94 118.94 116.72 3k4m s TRP 131 Ca 0.50 0.40 0.04 0.00 -0.00 0.00 0.00 56.10 57.04 3k4m s TRP 131 Cb -0.33 -4.04 -0.01 0.00 -0.00 0.00 0.00 33.47 29.09 3k4m s TRP 131 CO 0.43 -3.98 -0.13 -1.14 -0.00 0.00 0.00 176.95 172.13 3k4m s GLN 132 N 1.56 0.96 0.34 5.86 0.74 -1.26 -5.12 119.66 122.74 3k4m s GLN 132 Ca 0.74 -0.55 -0.08 0.00 0.05 0.00 0.00 55.36 55.52 3k4m s GLN 132 Cb -0.46 -0.93 -0.06 0.00 1.10 0.00 0.00 33.01 32.66 3k4m s GLN 132 CO 0.32 0.25 0.65 0.00 -0.55 0.00 0.00 175.29 175.96 3k4m s ALA 133 N -0.49 3.49 -0.12 1.58 0.00 -1.26 -4.97 121.76 119.99 3k4m s ALA 133 Ca 0.03 -0.38 0.22 0.00 0.00 0.00 0.00 51.96 51.83 3k4m s ALA 133 Cb -0.06 -2.49 -0.19 0.00 0.00 0.00 0.00 23.12 20.38 3k4m s ALA 133 CO 0.00 0.14 0.72 0.43 0.00 0.00 0.00 175.76 177.05 3k4m n SER 134 N -1.07 0.39 -4.21 0.00 7.64 -1.26 -5.00 113.62 110.11 3k4m n SER 134 Ca 0.00 0.15 -0.12 0.00 1.01 0.00 0.00 58.87 59.91 3k4m n SER 134 Cb 0.54 1.27 -0.10 0.00 -1.01 0.00 0.00 64.21 64.91 3k4m n SER 134 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3k4m s THR 135 N -3.42 0.31 -1.30 0.44 -4.23 -1.26 -5.04 115.64 101.14 3k4m s THR 135 Ca -0.05 -1.96 -0.16 0.00 -1.18 0.00 0.00 61.69 58.34 3k4m s THR 135 Cb 0.12 -2.23 0.09 0.00 1.34 0.00 0.00 72.50 71.82 3k4m s THR 135 CO 0.85 -0.32 1.75 0.49 -0.54 0.00 0.00 174.62 176.85 3k4m n PHE 136 N -0.22 4.50 -2.10 3.99 3.72 -1.26 -4.99 117.46 121.10 3k4m n PHE 136 Ca -0.04 -2.97 -0.28 0.00 -0.05 0.00 0.00 57.45 54.12 3k4m n PHE 136 Cb 0.64 -2.50 0.06 0.00 -0.94 0.00 0.00 39.48 36.75 3k4m n PHE 136 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3k4m s PHE 137 N 3.34 3.06 -0.13 1.38 -0.71 -1.26 -4.92 117.98 118.74 3k4m s PHE 137 Ca 0.50 0.67 -0.29 0.00 -1.04 0.00 0.00 56.93 56.77 3k4m s PHE 137 Cb 0.04 -3.17 -0.05 0.00 -1.21 0.00 0.00 43.02 38.63 3k4m s PHE 137 CO 0.04 -1.36 1.77 0.08 -1.34 0.00 0.00 175.22 174.41 3k4m s VAL 138 N -3.31 3.45 0.10 -2.49 1.01 -1.26 -4.82 120.40 113.08 3k4m s VAL 138 Ca 0.59 0.52 0.04 0.00 0.00 0.00 0.00 61.98 63.14 3k4m s VAL 138 Cb -0.11 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3k4m s VAL 138 CO 0.47 -0.14 -0.12 -0.13 0.00 0.00 0.00 175.10 175.18 3k4m s ARG 139 N 4.69 0.88 -1.50 2.72 0.52 -1.26 -4.94 118.95 120.06 3k4m s ARG 139 Ca 0.79 -1.14 -0.14 0.00 -0.52 0.00 0.00 55.73 54.72 3k4m s ARG 139 Cb -0.31 -0.67 0.11 0.00 0.52 0.00 0.00 34.95 34.59 3k4m s ARG 139 CO 0.32 0.12 0.72 0.09 0.02 0.00 0.00 175.30 176.57 3k4m n ASN 140 N 0.69 -3.85 0.00 0.23 3.02 -1.26 -1.20 115.26 112.89 3k4m n ASN 140 Ca -0.17 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 3k4m n ASN 140 Cb 0.57 -3.14 0.00 0.00 -0.61 0.00 0.00 39.78 36.60 3k4m n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k4m n GLY 141 N -1.37 0.49 3.73 7.41 0.00 -1.26 -5.01 105.19 109.19 3k4m n GLY 141 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3k4m n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k4m s SER 142 N -2.07 4.10 -0.36 1.61 1.04 -0.34 -4.76 113.70 112.92 3k4m s SER 142 Ca 0.00 2.12 -0.10 0.00 0.48 0.00 0.00 55.95 58.45 3k4m s SER 142 Cb 0.00 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.59 3k4m s SER 142 CO 0.00 -2.31 0.18 0.21 0.98 0.00 0.00 173.24 172.30 3k4m s ASN 143 N -2.63 5.64 0.00 7.02 2.47 0.22 -4.78 114.94 122.88 3k4m s ASN 143 Ca 0.68 -1.00 0.14 0.00 0.42 0.00 0.00 52.86 53.10 3k4m s ASN 143 Cb -0.23 -1.99 0.70 0.00 -1.45 0.00 0.00 41.25 38.27 3k4m s ASN 143 CO 0.50 -0.36 1.40 -0.81 -3.72 0.00 0.00 177.10 174.11 3k4m n PRO 144 N 4.96 0.16 0.23 0.43 -0.04 -1.26 -2.54 135.00 136.94 3k4m n PRO 144 Ca -0.12 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 3k4m n PRO 144 Cb 0.46 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.80 3k4m n PRO 144 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3k4m h GLU 145 N 0.00 0.00 -5.99 0.54 4.39 -1.95 -3.46 114.58 108.10 3k4m h GLU 145 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 3k4m h GLU 145 Cb 0.15 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.74 3k4m h GLU 145 CO 0.00 0.14 0.48 -1.14 -1.16 0.00 0.00 179.01 177.33 3k4m s GLN 146 N -3.44 4.30 -0.22 2.33 2.00 -1.05 -5.00 119.66 118.57 3k4m s GLN 146 Ca 0.03 1.11 -0.29 0.00 -2.00 0.00 0.00 55.36 54.21 3k4m s GLN 146 Cb 0.08 -3.59 -0.01 0.00 0.80 0.00 0.00 33.01 30.29 3k4m s GLN 146 CO 0.63 -0.39 1.37 0.34 -0.50 0.00 0.00 175.29 176.74 3k4m s ASP 147 N 1.18 6.71 0.60 6.67 -1.08 -1.26 -4.65 116.67 124.84 3k4m s ASP 147 Ca 0.40 1.51 0.31 0.00 -0.52 0.00 0.00 52.55 54.25 3k4m s ASP 147 Cb -0.16 -2.54 1.80 0.00 -1.46 0.00 0.00 42.92 40.56 3k4m s ASP 147 CO 0.12 -0.99 2.17 1.55 0.52 0.00 0.00 175.17 178.53 3k4m h PRO 148 N 9.19 0.00 -0.01 4.34 0.13 -1.96 -1.99 132.00 141.70 3k4m h PRO 148 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3k4m h PRO 148 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3k4m h PRO 148 CO 1.00 0.00 -0.17 1.28 -0.23 0.00 0.00 178.00 179.88 3k4m n LEU 149 N -3.66 1.59 -2.55 1.56 4.77 -1.26 -4.19 117.00 113.25 3k4m n LEU 149 Ca -0.01 -0.51 -0.16 0.00 -0.03 0.00 0.00 56.01 55.31 3k4m n LEU 149 Cb 0.23 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3k4m n LEU 149 CO 0.26 0.28 0.03 0.54 -1.33 0.00 0.00 177.39 177.17 3k4m n ARG 150 N -0.02 2.28 -4.14 3.23 1.74 -0.75 -4.96 116.66 114.05 3k4m n ARG 150 Ca 0.14 -3.82 -0.23 0.00 -0.77 0.00 0.00 57.85 53.17 3k4m n ARG 150 Cb 0.40 -1.75 -0.07 0.00 -1.02 0.00 0.00 32.46 30.03 3k4m n ARG 150 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3k4m s ASN 151 N -3.40 4.63 -0.94 0.55 2.47 -1.24 -0.79 114.94 116.22 3k4m s ASN 151 Ca 0.37 -0.78 -0.05 0.00 0.42 0.00 0.00 52.86 52.82 3k4m s ASN 151 Cb 0.42 -0.73 0.23 0.00 -1.45 0.00 0.00 41.25 39.73 3k4m s ASN 151 CO -0.05 -0.27 0.86 -0.76 -3.72 0.00 0.00 177.10 173.16 3k4m s LEU 152 N -3.82 5.88 0.51 3.21 1.43 -1.26 -4.77 118.68 119.87 3k4m s LEU 152 Ca 0.37 -3.54 0.24 0.00 -1.03 0.00 0.00 54.13 50.17 3k4m s LEU 152 Cb -0.03 -2.03 1.39 0.00 0.03 0.00 0.00 46.19 45.56 3k4m s LEU 152 CO 0.22 -0.26 2.08 0.77 0.23 0.00 0.00 176.35 179.39 3k4m h SER 153 N 6.44 0.00 0.35 2.29 4.64 -1.65 -1.24 113.55 124.37 3k4m h SER 153 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3k4m h SER 153 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3k4m h SER 153 CO 0.89 0.11 -0.16 0.61 -0.87 0.00 0.00 176.83 177.41 3k4m n GLY 154 N -0.91 -0.87 3.71 -0.77 0.00 0.82 -4.86 105.19 102.32 3k4m n GLY 154 Ca -0.02 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3k4m n GLY 154 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k4m s GLN 155 N -2.51 4.21 0.24 1.61 -1.52 -0.47 -3.60 119.66 117.62 3k4m s GLN 155 Ca 0.27 2.35 0.01 0.00 -1.95 0.00 0.00 55.36 56.03 3k4m s GLN 155 Cb 0.20 -3.27 -0.05 0.00 -0.22 0.00 0.00 33.01 29.67 3k4m s GLN 155 CO 0.50 -0.63 0.11 0.00 -0.25 0.00 0.00 175.29 175.01 3k4m s ALA 156 N 1.53 1.57 0.16 6.09 0.00 -1.26 -0.99 121.76 128.85 3k4m s ALA 156 Ca 0.71 -1.82 0.04 0.00 0.00 0.00 0.00 51.96 50.88 3k4m s ALA 156 Cb -0.43 1.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.79 3k4m s ALA 156 CO 0.31 -0.50 -0.06 0.14 0.00 0.00 0.00 175.76 175.66 3k4m s VAL 157 N -3.87 1.01 -0.07 0.00 -7.23 -0.10 -4.80 120.40 105.34 3k4m s VAL 157 Ca 0.38 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 3k4m s VAL 157 Cb 0.08 -1.96 0.02 0.00 0.56 0.00 0.00 36.38 35.08 3k4m s VAL 157 CO 0.13 -0.64 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.34 3k4m s THR 158 N -3.43 0.69 -0.74 5.32 2.01 -1.25 -0.85 115.64 117.38 3k4m s THR 158 Ca 0.19 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.09 3k4m s THR 158 Cb 0.04 -0.73 0.20 0.00 0.01 0.00 0.00 72.50 72.02 3k4m s THR 158 CO 0.02 0.29 0.63 0.54 -0.69 0.00 0.00 174.62 175.41 3k4m n ARG 159 N 4.53 2.21 -3.75 4.92 1.74 -1.26 -4.59 116.66 120.46 3k4m n ARG 159 Ca -0.17 -4.53 -0.13 0.00 -0.77 0.00 0.00 57.85 52.24 3k4m n ARG 159 Cb 0.51 -2.31 -0.09 0.00 -1.02 0.00 0.00 32.46 29.54 3k4m n ARG 159 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3k4m s VAL 160 N -1.71 0.05 -0.08 1.55 -7.23 -1.26 -4.19 120.40 107.52 3k4m s VAL 160 Ca 0.29 -0.39 -0.34 0.00 -1.81 0.00 0.00 61.98 59.73 3k4m s VAL 160 Cb -0.00 -0.61 -0.12 0.00 0.56 0.00 0.00 36.38 36.21 3k4m s VAL 160 CO -0.12 -0.21 1.85 0.52 -0.31 0.00 0.00 175.10 176.83 3k4m n VAL 161 N 1.51 0.53 0.00 1.32 0.31 -0.79 0.24 118.33 121.45 3k4m n VAL 161 Ca -0.20 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 3k4m n VAL 161 Cb 0.56 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 3k4m n VAL 161 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k4m n GLY 162 N 4.32 0.62 7.00 2.92 0.00 -1.07 -4.20 105.19 114.77 3k4m n GLY 162 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3k4m n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4m n GLY 163 N -1.20 1.18 0.06 -0.02 0.00 0.14 -1.54 105.19 103.81 3k4m n GLY 163 Ca 0.00 -0.39 0.07 0.00 0.00 0.00 0.00 46.02 45.70 3k4m n GLY 163 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3k4m n MET 164 N 9.68 0.07 0.00 1.61 2.81 -1.26 -1.86 117.12 128.17 3k4m n MET 164 Ca 0.00 0.43 0.14 0.00 -1.81 0.00 0.00 57.70 56.46 3k4m n MET 164 Cb 0.00 -1.68 0.79 0.00 -0.71 0.00 0.00 33.22 31.63 3k4m n MET 164 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3k4m n SER 165 N -1.82 0.00 0.12 7.83 3.41 -0.59 -1.45 113.62 121.13 3k4m n SER 165 Ca 0.01 -0.56 0.13 0.00 -0.26 0.00 0.00 58.87 58.19 3k4m n SER 165 Cb 0.11 -0.13 0.40 0.00 -0.26 0.00 0.00 64.21 64.33 3k4m n SER 165 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3k4m h THR 166 N 0.00 0.00 0.00 6.66 1.35 -1.41 -3.39 112.91 116.12 3k4m h THR 166 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3k4m h THR 166 Cb 0.12 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3k4m h THR 166 CO 0.00 0.00 -0.07 0.00 -0.25 0.00 0.00 175.52 175.20 3k4m n HIS 167 N -2.33 0.00 -0.75 4.73 1.44 -0.61 -1.05 115.22 116.66 3k4m n HIS 167 Ca 0.05 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.48 3k4m n HIS 167 Cb 0.42 0.00 0.24 0.00 0.12 0.00 0.00 29.99 30.77 3k4m n HIS 167 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 3k4m s TRP 168 N -0.58 1.39 -0.40 -1.40 1.48 -0.52 -4.94 118.94 113.96 3k4m s TRP 168 Ca 0.00 1.01 0.23 0.00 -1.06 0.00 0.00 56.10 56.28 3k4m s TRP 168 Cb 0.00 -3.15 0.27 0.00 -1.16 0.00 0.00 33.47 29.43 3k4m s TRP 168 CO 0.00 -3.72 1.46 1.15 -4.06 0.00 0.00 176.95 171.78 3k4m h THR 169 N -2.50 0.00 0.00 0.66 2.02 -1.96 -3.48 112.91 107.64 3k4m h THR 169 Ca -0.58 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 65.63 3k4m h THR 169 Cb 1.34 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.57 3k4m h THR 169 CO 0.51 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.40 3k4m s ALA 171 N -2.00 3.51 -0.55 0.00 0.00 -1.26 0.06 121.76 121.52 3k4m s ALA 171 Ca 0.00 0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.33 3k4m s ALA 171 Cb 0.00 -3.70 0.25 0.00 0.00 0.00 0.00 23.12 19.67 3k4m s ALA 171 CO 0.00 -1.49 0.67 0.25 0.00 0.00 0.00 175.76 175.19 3k4m n THR 172 N 5.81 1.30 -2.34 0.00 -2.24 -0.07 -4.79 114.28 111.94 3k4m n THR 172 Ca 0.15 -4.80 -0.34 0.00 -2.27 0.00 0.00 64.05 56.78 3k4m n THR 172 Cb 0.46 -2.05 -0.01 0.00 -2.10 0.00 0.00 70.33 66.62 3k4m n THR 172 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3k4m s PRO 173 N -2.03 3.54 0.54 -0.78 0.04 -1.26 -4.73 135.00 130.32 3k4m s PRO 173 Ca 0.38 1.41 -0.18 0.00 0.04 0.00 0.00 61.00 62.65 3k4m s PRO 173 Cb 0.16 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 3k4m s PRO 173 CO -0.05 -0.66 1.07 1.03 0.04 0.00 0.00 177.00 178.44 3k4m s ARG 174 N -3.43 3.48 0.14 4.56 0.52 -1.26 -4.66 118.95 118.30 3k4m s ARG 174 Ca 0.68 1.40 -0.27 0.00 -0.52 0.00 0.00 55.73 57.02 3k4m s ARG 174 Cb -0.19 -2.04 -0.07 0.00 0.52 0.00 0.00 34.95 33.17 3k4m s ARG 174 CO 0.26 -0.71 0.83 -0.06 0.02 0.00 0.00 175.30 175.64 3k4m s PHE 175 N -2.06 3.87 0.80 -0.53 0.08 -1.26 -4.97 117.98 113.90 3k4m s PHE 175 Ca 0.68 1.67 -0.12 0.00 0.12 0.00 0.00 56.93 59.28 3k4m s PHE 175 Cb -0.19 -2.86 0.07 0.00 -0.57 0.00 0.00 43.02 39.47 3k4m s PHE 175 CO 0.28 0.40 1.11 0.16 -0.10 0.00 0.00 175.22 177.07 3k4m s ASP 176 N -0.72 4.54 0.26 1.36 -4.77 -1.26 -4.81 116.67 111.26 3k4m s ASP 176 Ca 0.39 1.14 -0.07 0.00 -3.30 0.00 0.00 52.55 50.72 3k4m s ASP 176 Cb -0.23 -1.83 0.46 0.00 -1.09 0.00 0.00 42.92 40.23 3k4m s ASP 176 CO 0.27 -1.92 1.61 0.03 0.70 0.00 0.00 175.17 175.86 3k4m h ARG 177 N -1.06 0.06 0.00 2.11 3.08 -1.98 -1.64 114.38 114.95 3k4m h ARG 177 Ca -0.47 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3k4m h ARG 177 Cb 1.28 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3k4m h ARG 177 CO 0.62 0.04 0.17 1.49 -1.07 0.00 0.00 179.97 181.22 3k4m h GLU 178 N 0.06 0.00 0.00 0.04 4.81 -1.98 -1.31 114.58 116.19 3k4m h GLU 178 Ca 0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 3k4m h GLU 178 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 3k4m h GLU 178 CO -0.76 0.00 -0.36 1.04 -0.73 0.00 0.00 179.01 178.20 3k4m n GLN 179 N -2.54 4.59 -3.59 1.92 6.02 -0.64 -4.89 117.38 118.25 3k4m n GLN 179 Ca -0.02 -0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.60 3k4m n GLN 179 Cb 0.21 -0.83 -0.06 0.00 1.02 0.00 0.00 30.24 30.58 3k4m n GLN 179 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3k4m s ARG 180 N -1.67 3.96 0.59 -1.09 3.52 -0.50 -4.56 118.95 119.20 3k4m s ARG 180 Ca 0.02 0.17 -0.19 0.00 -0.13 0.00 0.00 55.73 55.60 3k4m s ARG 180 Cb 0.05 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 3k4m s ARG 180 CO 0.27 0.52 1.20 -1.25 -0.81 0.00 0.00 175.30 175.23 3k4m s PRO 181 N -0.41 3.01 0.21 5.12 0.04 -1.26 -4.92 135.00 136.80 3k4m s PRO 181 Ca 0.19 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 3k4m s PRO 181 Cb -0.14 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 3k4m s PRO 181 CO 0.07 -1.17 1.16 -0.51 0.04 0.00 0.00 177.00 176.60 3k4m s LEU 182 N -4.05 4.48 -0.04 -3.56 1.43 -1.26 -4.94 118.68 110.74 3k4m s LEU 182 Ca 0.77 2.24 0.14 0.00 -1.03 0.00 0.00 54.13 56.25 3k4m s LEU 182 Cb -0.29 -3.61 -0.22 0.00 0.03 0.00 0.00 46.19 42.09 3k4m s LEU 182 CO 0.32 -0.30 0.28 0.18 0.23 0.00 0.00 176.35 177.07 3k4m n LEU 183 N 2.09 0.00 -3.71 1.79 4.77 -1.26 -4.95 117.00 115.73 3k4m n LEU 183 Ca 0.02 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.79 3k4m n LEU 183 Cb 0.45 0.05 -0.18 0.00 -2.33 0.00 0.00 43.42 41.41 3k4m n LEU 183 CO 0.55 0.05 -0.36 -0.69 -1.33 0.00 0.00 177.39 175.62 3k4m s VAL 184 N -2.92 0.07 0.38 4.08 1.01 -1.26 -5.04 120.40 116.73 3k4m s VAL 184 Ca -0.06 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 3k4m s VAL 184 Cb 0.09 -0.29 -0.07 0.00 0.00 0.00 0.00 36.38 36.11 3k4m s VAL 184 CO 0.60 0.21 0.74 -1.59 0.00 0.00 0.00 175.10 175.07 3k4m s LYS 185 N 2.08 3.80 -1.45 2.72 -2.85 -1.26 -4.12 119.74 118.66 3k4m s LYS 185 Ca 0.05 0.45 -0.14 0.00 -1.00 0.00 0.00 55.97 55.33 3k4m s LYS 185 Cb -0.12 -2.42 0.11 0.00 -2.06 0.00 0.00 37.83 33.34 3k4m s LYS 185 CO -0.04 0.01 0.64 -0.25 0.10 0.00 0.00 175.35 175.81 3k4m n ASP 186 N -1.13 -3.47 -3.12 0.03 8.00 -1.26 -4.92 116.55 110.69 3k4m n ASP 186 Ca 0.02 -0.68 -0.01 0.00 0.71 0.00 0.00 54.79 54.84 3k4m n ASP 186 Cb 0.54 -2.86 -0.01 0.00 -0.02 0.00 0.00 41.12 38.77 3k4m n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3k4m s ASP 187 N -2.98 -1.41 0.51 -2.24 -1.08 -1.26 -5.05 116.67 103.16 3k4m s ASP 187 Ca 0.57 -1.04 0.18 0.00 -0.52 0.00 0.00 52.55 51.74 3k4m s ASP 187 Cb -0.31 1.89 1.28 0.00 -1.46 0.00 0.00 42.92 44.33 3k4m s ASP 187 CO 0.70 -0.15 2.13 0.00 0.52 0.00 0.00 175.17 178.37 3k4m h ALA 188 N 6.54 1.86 -0.13 3.66 0.00 -1.91 -0.66 119.26 128.62 3k4m h ALA 188 Ca 0.05 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3k4m h ALA 188 Cb 1.16 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.95 3k4m h ALA 188 CO 0.08 0.05 -0.47 -0.44 0.00 0.00 0.00 179.25 178.48 3k4m h ASP 189 N 0.00 0.63 -0.31 0.00 5.19 -1.97 -1.25 116.42 118.71 3k4m h ASP 189 Ca -0.00 -0.62 -0.04 0.00 -0.62 0.00 0.00 57.03 55.76 3k4m h ASP 189 Cb 0.08 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 3k4m h ASP 189 CO 0.01 1.14 0.05 0.00 -3.12 0.00 0.00 179.24 177.32 3k4m h ALA 190 N 0.51 0.41 0.08 3.45 0.00 -1.86 -0.80 119.26 121.05 3k4m h ALA 190 Ca -0.02 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3k4m h ALA 190 Cb 1.10 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3k4m h ALA 190 CO 0.10 0.10 -0.35 0.22 0.00 0.00 0.00 179.25 179.31 3k4m h ASP 191 N 0.33 -1.04 -0.99 0.00 3.58 -1.18 -0.27 116.42 116.85 3k4m h ASP 191 Ca 0.09 0.12 0.07 0.00 0.42 0.00 0.00 57.03 57.74 3k4m h ASP 191 Cb 0.34 0.40 -0.07 0.00 1.72 0.00 0.00 39.33 41.72 3k4m h ASP 191 CO 0.01 -0.43 0.63 0.44 -2.88 0.00 0.00 179.24 177.01 3k4m h ASP 192 N -0.56 1.00 -0.69 2.28 3.32 -1.12 -1.03 116.42 119.63 3k4m h ASP 192 Ca 0.04 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3k4m h ASP 192 Cb 0.61 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3k4m h ASP 192 CO -0.23 0.62 0.14 0.00 -1.72 0.00 0.00 179.24 178.05 3k4m h ALA 193 N 1.46 0.94 -0.25 3.45 0.00 -0.64 0.12 119.26 124.35 3k4m h ALA 193 Ca 0.44 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3k4m h ALA 193 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3k4m h ALA 193 CO -0.19 0.67 -0.14 1.49 0.00 0.00 0.00 179.25 181.08 3k4m h GLU 194 N 1.06 0.53 -0.44 0.00 4.57 -0.41 -2.22 114.58 117.66 3k4m h GLU 194 Ca 0.21 -0.24 -0.12 0.00 -1.18 0.00 0.00 59.36 58.04 3k4m h GLU 194 Cb 0.41 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 3k4m h GLU 194 CO 0.01 0.80 -0.18 -1.49 -1.18 0.00 0.00 179.01 176.97 3k4m h TRP 195 N 0.24 1.03 -0.67 0.92 4.06 -0.96 -0.86 115.95 119.71 3k4m h TRP 195 Ca 0.05 -0.24 0.03 0.00 2.06 0.00 0.00 58.89 60.78 3k4m h TRP 195 Cb 0.65 -0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 28.53 3k4m h TRP 195 CO 0.06 1.03 0.45 0.22 -3.56 0.00 0.00 178.44 176.64 3k4m h ASP 196 N 0.73 0.72 0.12 -3.49 3.58 -0.72 0.43 116.42 117.80 3k4m h ASP 196 Ca 0.10 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 3k4m h ASP 196 Cb 0.74 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.62 3k4m h ASP 196 CO 0.06 0.50 -0.06 -0.09 -2.88 0.00 0.00 179.24 176.77 3k4m h ARG 197 N 0.84 -0.16 0.19 0.28 2.43 -0.82 -1.18 114.38 115.97 3k4m h ARG 197 Ca 0.26 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 3k4m h ARG 197 Cb 0.02 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3k4m h ARG 197 CO -0.07 0.16 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.39 3k4m h LEU 198 N -0.50 -0.22 -0.73 3.80 3.38 -0.90 -2.49 115.31 117.65 3k4m h LEU 198 Ca -0.02 -0.18 0.15 0.00 0.09 0.00 0.00 57.88 57.92 3k4m h LEU 198 Cb 0.40 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.07 3k4m h LEU 198 CO 0.03 0.06 -0.14 1.88 0.09 0.00 0.00 178.44 180.36 3k4m h TYR 199 N -0.52 -0.31 -0.54 1.13 0.05 -1.00 0.90 116.97 116.69 3k4m h TYR 199 Ca -0.03 0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 3k4m h TYR 199 Cb 0.39 0.25 -0.03 0.00 1.01 0.00 0.00 36.73 38.36 3k4m h TYR 199 CO 0.01 -0.30 0.29 1.15 -1.05 0.00 0.00 178.16 178.26 3k4m h THR 200 N 0.02 1.18 -0.68 -2.88 2.02 -1.09 0.20 112.91 111.68 3k4m h THR 200 Ca 0.36 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3k4m h THR 200 Cb 0.57 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 3k4m h THR 200 CO -0.73 0.19 0.34 0.50 0.37 0.00 0.00 175.52 176.20 3k4m h LYS 201 N 0.72 0.97 -0.01 6.66 3.64 -1.04 -2.49 116.57 125.02 3k4m h LYS 201 Ca 0.19 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 3k4m h LYS 201 Cb 0.05 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3k4m h LYS 201 CO -0.03 0.76 -0.47 0.00 -2.27 0.00 0.00 179.45 177.44 3k4m h ALA 202 N 1.16 1.20 -0.15 5.00 0.00 0.08 -2.28 119.26 124.27 3k4m h ALA 202 Ca 0.24 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 3k4m h ALA 202 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3k4m h ALA 202 CO -0.03 0.59 -0.37 0.93 0.00 0.00 0.00 179.25 180.37 3k4m h GLU 203 N 0.03 0.31 0.00 0.00 5.08 -0.46 -1.60 114.58 117.94 3k4m h GLU 203 Ca -0.00 -0.14 -0.18 0.00 -1.00 0.00 0.00 59.36 58.04 3k4m h GLU 203 Cb 0.84 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 3k4m h GLU 203 CO 0.06 0.65 -0.84 0.66 -1.00 0.00 0.00 179.01 178.54 3k4m h SER 204 N 0.27 0.00 -0.68 1.42 4.64 -1.21 0.39 113.55 118.38 3k4m h SER 204 Ca 0.03 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 3k4m h SER 204 Cb 0.78 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.84 3k4m h SER 204 CO 0.06 0.84 0.18 1.88 -0.87 0.00 0.00 176.83 178.92 3k4m h TYR 205 N 0.00 1.13 -0.00 4.77 0.05 -0.95 -3.06 116.97 118.91 3k4m h TYR 205 Ca -0.01 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.64 3k4m h TYR 205 Cb 1.50 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 38.92 3k4m h TYR 205 CO 0.00 0.92 -0.38 1.19 -1.05 0.00 0.00 178.16 178.83 3k4m n PHE 206 N -4.29 0.00 -3.38 4.88 3.72 -0.64 -4.02 117.46 113.72 3k4m n PHE 206 Ca 0.05 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.28 3k4m n PHE 206 Cb 0.24 -0.30 0.09 0.00 -0.94 0.00 0.00 39.48 38.57 3k4m n PHE 206 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3k4m n GLN 207 N -1.47 -5.67 -2.43 -1.08 1.13 -0.09 -3.97 117.38 103.80 3k4m n GLN 207 Ca 0.06 0.85 -0.41 0.00 -1.94 0.00 0.00 57.00 55.56 3k4m n GLN 207 Cb 0.34 -5.84 -0.04 0.00 0.11 0.00 0.00 30.24 24.81 3k4m n GLN 207 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3k4m s THR 208 N -3.36 3.52 0.28 5.09 2.01 0.12 -2.07 115.64 121.22 3k4m s THR 208 Ca 0.10 1.42 -0.14 0.00 0.31 0.00 0.00 61.69 63.37 3k4m s THR 208 Cb -0.01 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.60 3k4m s THR 208 CO 0.73 0.30 0.57 -0.83 -0.69 0.00 0.00 174.62 174.69 3k4m s GLY 209 N -0.47 0.45 -0.07 4.40 0.00 -0.21 -4.87 107.32 106.55 3k4m s GLY 209 Ca 0.48 -0.78 0.21 0.00 0.00 0.00 0.00 44.72 44.63 3k4m s GLY 209 CO 0.40 -0.50 1.18 -1.30 0.00 0.00 0.00 173.10 172.88 3k4m n THR 210 N -0.43 0.70 -0.26 0.90 -2.24 -1.26 -0.62 114.28 111.07 3k4m n THR 210 Ca -0.03 -1.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.01 3k4m n THR 210 Cb 0.61 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3k4m n THR 210 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k4m n ASP 211 N -0.01 0.13 0.20 3.42 5.75 -1.26 -4.66 116.55 120.11 3k4m n ASP 211 Ca 0.10 -0.49 0.14 0.00 -0.01 0.00 0.00 54.79 54.53 3k4m n ASP 211 Cb 1.01 0.20 0.70 0.00 -1.03 0.00 0.00 41.12 42.00 3k4m n ASP 211 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 3k4m h GLN 212 N 0.00 0.00 0.00 0.11 7.50 -1.93 -2.63 115.11 118.16 3k4m h GLN 212 Ca 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 3k4m h GLN 212 Cb 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.66 3k4m h GLN 212 CO 0.00 0.00 -0.11 1.19 -1.50 0.00 0.00 178.83 178.41 3k4m n PHE 213 N -2.46 0.00 0.29 2.96 3.01 -1.26 -4.78 117.46 115.22 3k4m n PHE 213 Ca -0.01 -0.96 0.18 0.00 1.01 0.00 0.00 57.45 57.67 3k4m n PHE 213 Cb 0.09 -0.15 0.78 0.00 -0.01 0.00 0.00 39.48 40.19 3k4m n PHE 213 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3k4m h LYS 214 N 0.12 0.00 -0.32 -1.08 2.10 -1.81 -2.57 116.57 113.01 3k4m h LYS 214 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3k4m h LYS 214 Cb 1.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 3k4m h LYS 214 CO 0.00 0.02 0.00 0.39 -2.00 0.00 0.00 179.45 177.86 3k4m n GLU 215 N -3.13 2.34 -2.42 0.07 1.02 -1.26 -4.88 120.64 112.38 3k4m n GLU 215 Ca -0.00 -2.14 -0.42 0.00 -0.02 0.00 0.00 57.16 54.58 3k4m n GLU 215 Cb 0.26 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 3k4m n GLU 215 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3k4m s SER 216 N -1.45 7.08 0.11 1.62 0.15 -0.97 -4.93 113.70 115.32 3k4m s SER 216 Ca 0.34 2.01 -0.17 0.00 0.70 0.00 0.00 55.95 58.83 3k4m s SER 216 Cb 0.20 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.89 3k4m s SER 216 CO 0.29 -0.47 1.57 0.40 1.20 0.00 0.00 173.24 176.22 3k4m h ILE 217 N 4.53 1.25 -0.44 6.45 2.04 -1.90 -1.98 117.51 127.45 3k4m h ILE 217 Ca -0.41 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 64.56 3k4m h ILE 217 Cb 1.21 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 3k4m h ILE 217 CO 0.81 0.30 0.29 0.03 0.00 0.00 0.00 178.15 179.58 3k4m h ARG 218 N 0.38 0.57 0.35 2.37 3.08 -1.93 0.18 114.38 119.39 3k4m h ARG 218 Ca 0.10 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3k4m h ARG 218 Cb 0.40 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3k4m h ARG 218 CO 0.01 0.38 -0.51 1.25 -1.07 0.00 0.00 179.97 180.02 3k4m h HIS 219 N 0.58 -1.45 -0.81 3.04 2.76 -1.78 -1.50 115.15 116.00 3k4m h HIS 219 Ca 0.17 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 3k4m h HIS 219 Cb -0.05 0.59 -0.04 0.00 1.55 0.00 0.00 27.41 29.46 3k4m h HIS 219 CO -0.05 -0.64 0.42 -0.91 -1.30 0.00 0.00 177.93 175.45 3k4m h ASN 220 N -0.90 1.02 -0.56 3.26 2.35 -1.22 0.71 115.58 120.23 3k4m h ASN 220 Ca -0.04 -0.10 0.10 0.00 -0.55 0.00 0.00 56.30 55.71 3k4m h ASN 220 Cb 0.83 -0.26 -0.08 0.00 0.05 0.00 0.00 38.32 38.86 3k4m h ASN 220 CO -0.15 0.83 0.13 0.25 -1.65 0.00 0.00 177.43 176.84 3k4m h LEU 221 N 1.13 0.04 0.03 1.61 5.85 -0.53 -0.03 115.31 123.41 3k4m h LEU 221 Ca 0.28 0.10 -0.22 0.00 0.84 0.00 0.00 57.88 58.88 3k4m h LEU 221 Cb 0.06 0.12 0.02 0.00 0.37 0.00 0.00 40.66 41.23 3k4m h LEU 221 CO -0.04 0.04 -0.86 0.58 -0.34 0.00 0.00 178.44 177.81 3k4m h VAL 222 N 0.28 1.37 -0.32 1.05 2.07 -0.68 -3.16 116.25 116.85 3k4m h VAL 222 Ca 0.28 -2.23 0.07 0.00 0.82 0.00 0.00 66.70 65.64 3k4m h VAL 222 Cb 0.39 2.60 -0.08 0.00 -1.52 0.00 0.00 31.29 32.69 3k4m h VAL 222 CO -0.35 0.67 -0.20 0.25 0.02 0.00 0.00 177.57 177.96 3k4m h LEU 223 N 0.09 -0.65 -0.45 2.57 5.85 0.63 -2.68 115.31 120.66 3k4m h LEU 223 Ca -0.12 0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.58 3k4m h LEU 223 Cb 1.56 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.92 3k4m h LEU 223 CO 0.17 -0.23 -0.43 0.78 -0.34 0.00 0.00 178.44 178.39 3k4m h ASN 224 N -0.16 0.88 0.01 1.25 2.35 -1.11 -0.54 115.58 118.26 3k4m h ASN 224 Ca 0.17 -0.41 -0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3k4m h ASN 224 Cb 0.41 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3k4m h ASN 224 CO -0.42 1.18 -0.00 0.50 -1.65 0.00 0.00 177.43 177.04 3k4m h LYS 225 N 0.66 -0.01 -0.58 0.81 1.63 -1.50 0.66 116.57 118.23 3k4m h LYS 225 Ca 0.05 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.75 3k4m h LYS 225 Cb 1.00 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.61 3k4m h LYS 225 CO 0.10 0.04 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.04 3k4m h LEU 226 N -0.07 1.01 -0.56 5.20 3.38 -1.38 0.13 115.31 123.01 3k4m h LEU 226 Ca -0.00 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.70 3k4m h LEU 226 Cb 0.06 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3k4m h LEU 226 CO 0.00 1.07 0.34 0.74 0.09 0.00 0.00 178.44 180.68 3k4m h THR 227 N 0.93 1.05 -0.12 0.22 2.02 -0.74 -0.71 112.91 115.57 3k4m h THR 227 Ca 0.16 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 3k4m h THR 227 Cb 0.58 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3k4m h THR 227 CO 0.03 0.12 -0.06 -0.08 0.37 0.00 0.00 175.52 175.91 3k4m h GLU 228 N 0.67 0.24 -0.25 6.66 4.81 -0.59 -1.49 114.58 124.64 3k4m h GLU 228 Ca 0.23 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.41 3k4m h GLU 228 Cb 0.03 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3k4m h GLU 228 CO -0.10 0.59 0.18 0.93 -0.73 0.00 0.00 179.01 179.87 3k4m h GLU 229 N -0.11 0.04 -0.18 1.92 4.39 -0.56 -2.52 114.58 117.57 3k4m h GLU 229 Ca 0.03 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3k4m h GLU 229 Cb 0.52 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3k4m h GLU 229 CO 0.02 0.03 -0.01 0.66 -1.16 0.00 0.00 179.01 178.55 3k4m n TYR 230 N -4.47 0.66 -1.68 4.33 4.02 -0.29 -5.04 117.16 114.68 3k4m n TYR 230 Ca 0.03 -0.95 -0.52 0.00 -0.01 0.00 0.00 57.90 56.45 3k4m n TYR 230 Cb 0.30 -0.27 -0.06 0.00 -0.02 0.00 0.00 39.34 39.29 3k4m n TYR 230 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3k4m n LYS 231 N -0.82 1.59 -1.72 -0.72 5.02 -0.57 -0.99 118.16 119.94 3k4m n LYS 231 Ca 0.20 0.58 -0.09 0.00 -2.02 0.00 0.00 58.31 56.98 3k4m n LYS 231 Cb 0.82 -2.31 -0.02 0.00 -0.02 0.00 0.00 35.03 33.50 3k4m n LYS 231 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k4m n GLY 232 N 3.86 0.51 0.07 0.72 0.00 -1.26 -4.86 105.19 104.24 3k4m n GLY 232 Ca 0.23 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3k4m n GLY 232 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k4m n GLN 233 N -2.27 0.00 -3.74 1.61 6.02 -0.16 -5.11 117.38 113.72 3k4m n GLN 233 Ca -0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.76 3k4m n GLN 233 Cb 0.44 -0.60 -0.09 0.00 1.02 0.00 0.00 30.24 31.00 3k4m n GLN 233 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k4m s ARG 234 N -1.28 0.59 0.01 -1.09 0.52 -1.05 -5.09 118.95 111.57 3k4m s ARG 234 Ca 0.00 0.12 -0.05 0.00 -0.52 0.00 0.00 55.73 55.28 3k4m s ARG 234 Cb 0.00 0.27 -0.05 0.00 0.52 0.00 0.00 34.95 35.70 3k4m s ARG 234 CO 0.00 -0.14 0.25 -0.51 0.02 0.00 0.00 175.30 174.92 3k4m s ASP 235 N -0.69 6.45 -0.05 0.23 1.01 -1.26 -4.67 116.67 117.69 3k4m s ASP 235 Ca -0.08 0.49 0.05 0.00 0.71 0.00 0.00 52.55 53.72 3k4m s ASP 235 Cb -0.04 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 41.81 3k4m s ASP 235 CO 0.03 0.24 -0.21 -0.36 0.21 0.00 0.00 175.17 175.08 3k4m s PHE 236 N -1.34 2.53 0.20 4.23 0.40 -1.26 -4.29 117.98 118.45 3k4m s PHE 236 Ca 0.28 -0.44 0.02 0.00 -0.60 0.00 0.00 56.93 56.20 3k4m s PHE 236 Cb -0.13 -1.60 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 3k4m s PHE 236 CO 0.18 -0.03 0.21 0.00 0.70 0.00 0.00 175.22 176.28 3k4m n GLN 237 N 2.64 0.30 -2.61 0.44 10.64 0.23 -4.99 117.38 124.04 3k4m n GLN 237 Ca -0.17 -1.84 -0.34 0.00 -1.83 0.00 0.00 57.00 52.83 3k4m n GLN 237 Cb 0.52 1.59 -0.04 0.00 -0.86 0.00 0.00 30.24 31.45 3k4m n GLN 237 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 3k4m s GLN 238 N -2.67 3.92 0.09 2.61 0.74 -1.26 -0.51 119.66 122.57 3k4m s GLN 238 Ca 0.21 1.31 -0.31 0.00 0.05 0.00 0.00 55.36 56.63 3k4m s GLN 238 Cb 0.01 -2.14 -0.08 0.00 1.10 0.00 0.00 33.01 31.90 3k4m s GLN 238 CO 0.15 -0.32 1.54 0.42 -0.55 0.00 0.00 175.29 176.52 3k4m s ILE 239 N -2.01 3.11 0.10 -2.34 1.01 -0.20 -4.68 121.20 116.20 3k4m s ILE 239 Ca 0.66 0.67 -0.32 0.00 0.00 0.00 0.00 60.65 61.65 3k4m s ILE 239 Cb -0.15 -3.43 -0.12 0.00 0.01 0.00 0.00 42.46 38.78 3k4m s ILE 239 CO 0.19 0.02 1.78 -2.65 0.00 0.00 0.00 174.94 174.28 3k4m n PRO 240 N 4.88 2.55 -4.82 2.79 -0.02 -1.26 -4.77 135.00 134.35 3k4m n PRO 240 Ca 0.14 0.93 -0.25 0.00 -2.02 0.00 0.00 63.50 62.29 3k4m n PRO 240 Cb 0.41 -2.78 -0.16 0.00 -0.02 0.00 0.00 33.50 30.95 3k4m n PRO 240 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3k4m s LEU 241 N 2.44 1.96 -0.85 2.45 1.43 0.21 -0.90 118.68 125.42 3k4m s LEU 241 Ca 0.83 -0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.39 3k4m s LEU 241 Cb -0.56 -0.93 0.10 0.00 0.03 0.00 0.00 46.19 44.84 3k4m s LEU 241 CO 0.39 0.17 1.10 0.00 0.23 0.00 0.00 176.35 178.25 3k4m s ALA 242 N -0.13 3.23 -0.26 4.21 0.00 0.11 -1.04 121.76 127.88 3k4m s ALA 242 Ca 0.00 -2.43 -0.27 0.00 0.00 0.00 0.00 51.96 49.26 3k4m s ALA 242 Cb -0.09 -4.03 0.16 0.00 0.00 0.00 0.00 23.12 19.15 3k4m s ALA 242 CO 0.01 -2.97 1.20 0.00 0.00 0.00 0.00 175.76 174.00 3k4m s ALA 243 N 3.32 -2.06 -0.12 0.00 0.00 -0.88 -0.73 121.76 121.28 3k4m s ALA 243 Ca 0.30 1.76 0.03 0.00 0.00 0.00 0.00 51.96 54.05 3k4m s ALA 243 Cb -0.08 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.66 3k4m s ALA 243 CO -0.03 -0.21 -0.21 0.99 0.00 0.00 0.00 175.76 176.30 3k4m s THR 244 N -0.36 1.92 -0.12 0.00 2.01 0.07 -4.63 115.64 114.54 3k4m s THR 244 Ca 0.04 -0.90 -0.28 0.00 0.31 0.00 0.00 61.69 60.86 3k4m s THR 244 Cb -0.03 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 3k4m s THR 244 CO -0.07 0.52 0.94 -0.60 -0.69 0.00 0.00 174.62 174.72 3k4m s ARG 245 N 0.75 4.40 0.21 4.92 3.52 -1.26 -0.96 118.95 130.53 3k4m s ARG 245 Ca -0.10 1.27 0.22 0.00 -0.13 0.00 0.00 55.73 57.00 3k4m s ARG 245 Cb -0.16 -3.54 0.01 0.00 -1.56 0.00 0.00 34.95 29.70 3k4m s ARG 245 CO 0.00 -0.29 1.06 0.00 -0.81 0.00 0.00 175.30 175.27 3k4m h ARG 246 N 7.13 0.00 -1.45 5.12 2.47 -1.39 -3.48 114.38 122.78 3k4m h ARG 246 Ca -0.31 0.00 0.35 0.00 -1.26 0.00 0.00 59.98 58.75 3k4m h ARG 246 Cb 1.15 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.35 3k4m h ARG 246 CO 0.84 0.02 0.88 -1.54 0.56 0.00 0.00 179.97 180.73 3k4m s SER 247 N -5.44 -0.04 0.26 7.04 1.04 -1.19 -4.97 113.70 110.40 3k4m s SER 247 Ca -0.00 -0.11 0.17 0.00 0.48 0.00 0.00 55.95 56.48 3k4m s SER 247 Cb 0.09 0.12 0.90 0.00 0.10 0.00 0.00 66.02 67.24 3k4m s SER 247 CO 0.78 -0.23 1.49 -2.65 0.98 0.00 0.00 173.24 173.61 3k4m n PRO 248 N -0.55 0.11 0.00 4.02 -0.02 -1.26 -2.45 135.00 134.85 3k4m n PRO 248 Ca -0.07 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3k4m n PRO 248 Cb 0.63 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3k4m n PRO 248 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3k4m n THR 249 N -2.08 0.66 -3.71 3.45 -2.24 -1.26 -4.82 114.28 104.28 3k4m n THR 249 Ca -0.01 -0.66 -0.14 0.00 -2.27 0.00 0.00 64.05 60.97 3k4m n THR 249 Cb 0.06 0.67 -0.14 0.00 -2.10 0.00 0.00 70.33 68.82 3k4m n THR 249 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3k4m s PHE 250 N -0.66 -0.27 -0.13 4.78 2.19 -1.03 -4.92 117.98 117.95 3k4m s PHE 250 Ca 0.00 0.69 0.03 0.00 0.33 0.00 0.00 56.93 57.98 3k4m s PHE 250 Cb 0.00 -0.07 0.00 0.00 -1.31 0.00 0.00 43.02 41.65 3k4m s PHE 250 CO 0.00 -0.24 -0.21 0.08 1.83 0.00 0.00 175.22 176.68 3k4m s VAL 251 N 1.64 2.20 -0.49 3.12 1.01 -1.26 -0.91 120.40 125.70 3k4m s VAL 251 Ca -0.05 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.76 3k4m s VAL 251 Cb -0.11 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.43 3k4m s VAL 251 CO -0.07 0.55 0.79 -0.70 0.00 0.00 0.00 175.10 175.66 3k4m s GLU 252 N 0.61 3.33 0.15 2.72 2.12 -0.13 -4.81 118.70 122.69 3k4m s GLU 252 Ca -0.11 -0.30 -0.21 0.00 0.36 0.00 0.00 54.97 54.70 3k4m s GLU 252 Cb -0.16 -4.00 -0.08 0.00 0.26 0.00 0.00 34.13 30.15 3k4m s GLU 252 CO 0.03 -1.23 0.68 -1.58 -0.54 0.00 0.00 175.26 172.62 3k4m s TRP 253 N 3.32 3.79 0.82 5.30 0.52 -1.26 -0.75 118.94 130.68 3k4m s TRP 253 Ca 0.27 1.42 -0.11 0.00 0.02 0.00 0.00 56.10 57.70 3k4m s TRP 253 Cb -0.14 -2.62 0.11 0.00 -1.15 0.00 0.00 33.47 29.67 3k4m s TRP 253 CO 0.20 0.49 1.16 -1.12 0.02 0.00 0.00 176.95 177.70 3k4m s SER 254 N -1.30 4.23 0.02 2.95 0.01 0.09 -4.56 113.70 115.14 3k4m s SER 254 Ca 0.35 0.51 -0.03 0.00 1.31 0.00 0.00 55.95 58.10 3k4m s SER 254 Cb -0.20 -0.92 0.01 0.00 0.21 0.00 0.00 66.02 65.12 3k4m s SER 254 CO 0.22 -2.03 0.12 -1.54 0.41 0.00 0.00 173.24 170.42 3k4m n SER 255 N -3.31 -0.21 -0.26 2.44 3.41 -1.26 -4.74 113.62 109.69 3k4m n SER 255 Ca 0.10 -1.11 -0.01 0.00 -0.26 0.00 0.00 58.87 57.59 3k4m n SER 255 Cb 0.60 0.34 0.10 0.00 -0.26 0.00 0.00 64.21 65.00 3k4m n SER 255 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k4m h ALA 256 N 2.00 0.99 -0.27 7.33 0.00 -1.76 -2.16 119.26 125.38 3k4m h ALA 256 Ca -0.03 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3k4m h ALA 256 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3k4m h ALA 256 CO 0.04 0.18 0.22 -0.97 0.00 0.00 0.00 179.25 178.72 3k4m h ASN 257 N 0.83 0.00 -0.31 0.00 -0.73 -1.59 0.10 115.58 113.89 3k4m h ASN 257 Ca 0.32 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.39 3k4m h ASN 257 Cb 0.12 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.70 3k4m h ASN 257 CO -0.15 0.00 -0.12 0.74 -0.37 0.00 0.00 177.43 177.52 3k4m h THR 258 N 0.00 1.26 0.02 -3.57 2.02 -1.72 -3.24 112.91 107.67 3k4m h THR 258 Ca 0.13 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.14 3k4m h THR 258 Cb 0.57 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3k4m h THR 258 CO -0.00 0.40 -0.01 0.58 0.37 0.00 0.00 175.52 176.86 3k4m h VAL 259 N 0.67 1.51 -3.09 3.16 2.07 -0.81 -3.46 116.25 116.30 3k4m h VAL 259 Ca 0.11 -1.76 -0.19 0.00 0.82 0.00 0.00 66.70 65.68 3k4m h VAL 259 Cb 0.59 2.67 -0.29 0.00 -1.52 0.00 0.00 31.29 32.74 3k4m h VAL 259 CO 0.04 0.44 -0.49 0.12 0.02 0.00 0.00 177.57 177.70 3k4m s PHE 260 N -3.06 -0.29 -1.52 1.57 5.36 -0.31 -4.78 117.98 114.95 3k4m s PHE 260 Ca -0.17 0.71 0.29 0.00 -0.96 0.00 0.00 56.93 56.80 3k4m s PHE 260 Cb -0.01 0.05 1.26 0.00 -0.34 0.00 0.00 43.02 43.98 3k4m s PHE 260 CO 0.65 -0.20 1.89 -0.40 -1.46 0.00 0.00 175.22 175.70 3k4m n ASP 261 N 3.90 0.32 -0.11 6.13 5.68 -1.22 -3.53 116.55 127.73 3k4m n ASP 261 Ca -0.22 -0.38 -0.01 0.00 -0.50 0.00 0.00 54.79 53.67 3k4m n ASP 261 Cb 0.54 -0.14 -0.01 0.00 -1.14 0.00 0.00 41.12 40.38 3k4m n ASP 261 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3k4m n LEU 262 N -1.10 0.30 -4.75 -2.12 4.77 -1.26 -4.20 117.00 108.64 3k4m n LEU 262 Ca 0.13 0.04 -0.40 0.00 -0.03 0.00 0.00 56.01 55.75 3k4m n LEU 262 Cb 0.27 -1.48 -0.04 0.00 -2.33 0.00 0.00 43.42 39.84 3k4m n LEU 262 CO 0.24 -0.48 0.78 -1.10 -1.33 0.00 0.00 177.39 175.50 3k4m s GLN 263 N -1.23 4.65 0.34 3.23 -1.52 -1.26 -4.75 119.66 119.12 3k4m s GLN 263 Ca 0.00 1.75 -0.29 0.00 -1.95 0.00 0.00 55.36 54.88 3k4m s GLN 263 Cb 0.00 -3.22 -0.12 0.00 -0.22 0.00 0.00 33.01 29.45 3k4m s GLN 263 CO 0.00 0.21 1.39 0.09 -0.25 0.00 0.00 175.29 176.73 3k4m n ASN 264 N 1.51 3.17 -4.26 5.90 4.13 -1.26 -4.84 115.26 119.60 3k4m n ASN 264 Ca -0.00 1.20 -0.24 0.00 1.68 0.00 0.00 54.58 57.22 3k4m n ASN 264 Cb 0.45 -1.53 -0.13 0.00 -1.54 0.00 0.00 39.78 37.04 3k4m n ASN 264 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3k4m s ARG 265 N -1.67 1.14 0.45 3.52 0.52 -0.27 -4.26 118.95 118.39 3k4m s ARG 265 Ca 0.57 -1.09 -0.21 0.00 -0.52 0.00 0.00 55.73 54.48 3k4m s ARG 265 Cb -0.54 -1.35 -0.09 0.00 0.52 0.00 0.00 34.95 33.49 3k4m s ARG 265 CO 0.60 0.32 1.01 -1.25 0.02 0.00 0.00 175.30 176.00 3k4m s PRO 266 N -1.72 4.00 0.29 3.54 0.04 -0.03 -2.28 135.00 138.85 3k4m s PRO 266 Ca 0.06 1.31 0.03 0.00 0.04 0.00 0.00 61.00 62.44 3k4m s PRO 266 Cb -0.10 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 3k4m s PRO 266 CO 0.03 -0.25 0.16 0.54 0.04 0.00 0.00 177.00 177.53 3k4m s ASN 267 N -1.97 1.31 0.41 6.66 2.20 -1.10 -4.95 114.94 117.51 3k4m s ASN 267 Ca 0.64 -1.54 0.12 0.00 -0.94 0.00 0.00 52.86 51.14 3k4m s ASN 267 Cb -0.15 0.39 0.96 0.00 -2.00 0.00 0.00 41.25 40.45 3k4m s ASN 267 CO 0.19 -0.89 1.96 0.74 -2.94 0.00 0.00 177.10 176.16 3k4m h THR 268 N 2.28 0.90 0.00 0.54 2.02 -1.98 0.13 112.91 116.81 3k4m h THR 268 Ca -0.33 -0.17 -0.11 0.00 0.77 0.00 0.00 66.41 66.57 3k4m h THR 268 Cb 1.25 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3k4m h THR 268 CO 0.51 0.09 -0.51 0.44 0.37 0.00 0.00 175.52 176.42 3k4m h ASP 269 N 0.50 0.00 -1.38 4.18 3.32 -2.00 -3.39 116.42 117.65 3k4m h ASP 269 Ca 0.31 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.00 3k4m h ASP 269 Cb 0.54 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.83 3k4m h ASP 269 CO -0.10 0.51 -0.73 0.00 -1.72 0.00 0.00 179.24 177.21 3k4m n ALA 270 N -2.43 0.28 0.20 3.45 0.00 -0.12 -5.03 120.51 116.87 3k4m n ALA 270 Ca -0.01 -2.08 0.07 0.00 0.00 0.00 0.00 53.44 51.41 3k4m n ALA 270 Cb 0.54 -1.14 0.43 0.00 0.00 0.00 0.00 19.45 19.27 3k4m n ALA 270 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3k4m h PRO 271 N 4.85 0.00 -0.07 0.00 0.11 -1.35 -2.88 132.00 132.66 3k4m h PRO 271 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3k4m h PRO 271 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3k4m h PRO 271 CO 0.25 0.31 0.00 0.39 -0.21 0.00 0.00 178.00 178.74 3k4m n GLU 272 N -3.65 1.35 -4.07 1.05 1.02 -1.26 -4.68 120.64 110.40 3k4m n GLU 272 Ca -0.01 -0.52 -0.24 0.00 -0.02 0.00 0.00 57.16 56.37 3k4m n GLU 272 Cb 0.43 -1.37 -0.04 0.00 -0.02 0.00 0.00 31.44 30.44 3k4m n GLU 272 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3k4m s GLU 273 N -1.92 3.02 -0.13 3.49 2.02 -1.15 -4.93 118.70 119.09 3k4m s GLU 273 Ca 0.32 -0.91 -0.02 0.00 0.02 0.00 0.00 54.97 54.39 3k4m s GLU 273 Cb 0.16 -2.67 0.04 0.00 0.10 0.00 0.00 34.13 31.76 3k4m s GLU 273 CO 0.26 0.45 -0.01 1.03 0.02 0.00 0.00 175.26 177.01 3k4m s ARG 274 N -3.50 0.88 -0.13 1.61 0.52 -1.26 -0.85 118.95 116.22 3k4m s ARG 274 Ca 0.32 -0.20 -0.11 0.00 -0.52 0.00 0.00 55.73 55.22 3k4m s ARG 274 Cb -0.09 -1.56 0.04 0.00 0.52 0.00 0.00 34.95 33.86 3k4m s ARG 274 CO 0.25 -0.42 0.34 0.12 0.02 0.00 0.00 175.30 175.62 3k4m s PHE 275 N 1.85 -0.40 -0.06 -0.53 5.36 -0.96 -2.41 117.98 120.82 3k4m s PHE 275 Ca 0.03 0.96 0.01 0.00 -0.96 0.00 0.00 56.93 56.96 3k4m s PHE 275 Cb -0.14 0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.70 3k4m s PHE 275 CO -0.07 -0.20 -0.07 -0.80 -1.46 0.00 0.00 175.22 172.61 3k4m s ASN 276 N 0.41 1.44 -0.22 6.13 -0.87 -0.53 -1.11 114.94 120.18 3k4m s ASN 276 Ca -0.02 -0.21 -0.10 0.00 -1.57 0.00 0.00 52.86 50.97 3k4m s ASN 276 Cb -0.04 -0.63 -0.05 0.00 -0.02 0.00 0.00 41.25 40.51 3k4m s ASN 276 CO -0.02 -0.04 0.13 -0.22 -2.57 0.00 0.00 177.10 174.39 3k4m s LEU 277 N 0.99 4.05 -0.48 0.60 2.96 -1.26 0.31 118.68 125.86 3k4m s LEU 277 Ca -0.09 0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 3k4m s LEU 277 Cb -0.15 -2.07 0.13 0.00 0.50 0.00 0.00 46.19 44.60 3k4m s LEU 277 CO 0.00 0.10 0.23 -0.36 -1.32 0.00 0.00 176.35 175.00 3k4m s PHE 278 N 0.83 2.88 0.74 5.38 0.08 -0.34 -4.98 117.98 122.57 3k4m s PHE 278 Ca 0.07 -2.93 -0.11 0.00 0.12 0.00 0.00 56.93 54.08 3k4m s PHE 278 Cb -0.13 -2.56 0.03 0.00 -0.57 0.00 0.00 43.02 39.79 3k4m s PHE 278 CO 0.02 -0.77 1.08 -2.14 -0.10 0.00 0.00 175.22 173.31 3k4m s PRO 279 N 0.04 2.61 -1.33 0.24 0.02 -1.26 -2.20 135.00 133.12 3k4m s PRO 279 Ca 0.16 0.75 -0.00 0.00 0.02 0.00 0.00 61.00 61.93 3k4m s PRO 279 Cb -0.25 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.30 3k4m s PRO 279 CO -0.01 -1.28 0.03 0.00 -0.33 0.00 0.00 177.00 175.40 3k4m n ALA 280 N -3.22 -0.48 -4.06 -1.55 0.00 0.11 -4.86 120.51 106.45 3k4m n ALA 280 Ca 0.07 0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.32 3k4m n ALA 280 Cb 0.55 -1.85 -0.15 0.00 0.00 0.00 0.00 19.45 18.00 3k4m n ALA 280 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k4m s VAL 281 N -2.80 2.12 -0.46 0.00 1.01 0.22 -0.78 120.40 119.71 3k4m s VAL 281 Ca 0.01 -1.60 -0.25 0.00 0.00 0.00 0.00 61.98 60.14 3k4m s VAL 281 Cb -0.01 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.16 3k4m s VAL 281 CO 0.02 -0.03 0.91 0.00 0.00 0.00 0.00 175.10 176.01 3k4m s ALA 282 N 1.12 3.24 -0.07 5.51 0.00 -0.16 -2.57 121.76 128.83 3k4m s ALA 282 Ca -0.09 -0.82 -0.27 0.00 0.00 0.00 0.00 51.96 50.78 3k4m s ALA 282 Cb -0.20 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.27 3k4m s ALA 282 CO -0.05 -2.06 0.89 0.00 0.00 0.00 0.00 175.76 174.54 3k4m n GLU 284 N 4.30 0.56 -3.73 0.00 1.02 0.34 -4.97 120.64 118.16 3k4m n GLU 284 Ca 0.04 0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.08 3k4m n GLU 284 Cb 0.50 -1.12 -0.09 0.00 -0.02 0.00 0.00 31.44 30.71 3k4m n GLU 284 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3k4m s ARG 285 N -2.12 0.57 -0.13 3.49 0.52 -1.16 -4.67 118.95 115.44 3k4m s ARG 285 Ca -0.07 0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 55.38 3k4m s ARG 285 Cb 0.02 0.27 -0.05 0.00 0.52 0.00 0.00 34.95 35.71 3k4m s ARG 285 CO 0.15 -0.11 0.23 0.14 0.02 0.00 0.00 175.30 175.73 3k4m s VAL 286 N -0.27 5.35 -0.19 3.52 -7.23 -1.26 -0.29 120.40 120.03 3k4m s VAL 286 Ca -0.04 0.41 -0.17 0.00 -1.81 0.00 0.00 61.98 60.37 3k4m s VAL 286 Cb -0.03 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 3k4m s VAL 286 CO 0.02 0.49 0.45 -0.69 -0.31 0.00 0.00 175.10 175.06 3k4m s VAL 287 N -0.21 5.17 0.24 1.32 1.01 -0.68 -4.78 120.40 122.46 3k4m s VAL 287 Ca 0.15 0.83 -0.17 0.00 0.00 0.00 0.00 61.98 62.79 3k4m s VAL 287 Cb -0.13 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 3k4m s VAL 287 CO 0.04 0.24 0.69 -0.13 0.00 0.00 0.00 175.10 175.95 3k4m s ARG 288 N 1.28 4.12 0.86 2.72 0.52 -1.26 -0.50 118.95 126.68 3k4m s ARG 288 Ca 0.22 0.73 -0.12 0.00 -0.52 0.00 0.00 55.73 56.04 3k4m s ARG 288 Cb -0.15 -2.76 0.10 0.00 0.52 0.00 0.00 34.95 32.67 3k4m s ARG 288 CO 0.09 0.34 1.10 0.54 0.02 0.00 0.00 175.30 177.39 3k4m s ASN 289 N -1.86 3.94 0.36 0.23 2.20 -0.80 -4.85 114.94 114.15 3k4m s ASN 289 Ca 0.45 1.29 0.06 0.00 -0.94 0.00 0.00 52.86 53.73 3k4m s ASN 289 Cb -0.14 -1.98 0.76 0.00 -2.00 0.00 0.00 41.25 37.88 3k4m s ASN 289 CO 0.20 -2.32 1.95 0.00 -2.94 0.00 0.00 177.10 173.99 3k4m h ALA 290 N -1.33 1.73 0.00 3.54 0.00 -1.98 -1.61 119.26 119.60 3k4m h ALA 290 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3k4m h ALA 290 Cb 1.29 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3k4m h ALA 290 CO 0.58 0.14 0.00 1.28 0.00 0.00 0.00 179.25 181.26 3k4m n LEU 291 N -4.49 0.00 -3.75 0.00 4.77 -1.26 -4.92 117.00 107.35 3k4m n LEU 291 Ca 0.11 0.33 -0.27 0.00 -0.03 0.00 0.00 56.01 56.15 3k4m n LEU 291 Cb 0.26 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 3k4m n LEU 291 CO 0.33 -0.04 -0.12 0.59 -1.33 0.00 0.00 177.39 176.83 3k4m n ASN 292 N -1.33 -3.09 0.00 -1.43 3.02 -0.61 -4.91 115.26 106.92 3k4m n ASN 292 Ca 0.11 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 3k4m n ASN 292 Cb 0.23 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 3k4m n ASN 292 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3k4m n SER 293 N -2.85 1.12 -3.70 6.41 3.41 -1.26 -4.47 113.62 112.29 3k4m n SER 293 Ca -0.20 -0.11 -0.13 0.00 -0.26 0.00 0.00 58.87 58.17 3k4m n SER 293 Cb 0.64 0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 64.95 3k4m n SER 293 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3k4m s GLU 294 N -0.68 0.58 -0.00 4.33 2.12 -1.26 0.22 118.70 124.02 3k4m s GLU 294 Ca 0.00 0.74 -0.24 0.00 0.36 0.00 0.00 54.97 55.83 3k4m s GLU 294 Cb 0.00 0.26 -0.05 0.00 0.26 0.00 0.00 34.13 34.60 3k4m s GLU 294 CO 0.00 -0.08 0.72 0.42 -0.54 0.00 0.00 175.26 175.78 3k4m s ILE 295 N 0.43 4.87 -0.16 -3.70 -1.09 -1.26 -1.91 121.20 118.38 3k4m s ILE 295 Ca -0.01 1.51 0.17 0.00 -2.23 0.00 0.00 60.65 60.09 3k4m s ILE 295 Cb -0.04 -4.06 -0.25 0.00 -1.58 0.00 0.00 42.46 36.53 3k4m s ILE 295 CO -0.01 0.33 0.23 -0.62 -1.23 0.00 0.00 174.94 173.64 3k4m n GLU 296 N 3.15 0.67 -3.59 2.79 -0.58 0.34 -4.97 120.64 118.45 3k4m n GLU 296 Ca -0.03 0.06 -0.09 0.00 -0.42 0.00 0.00 57.16 56.68 3k4m n GLU 296 Cb 0.51 -1.59 -0.02 0.00 -0.57 0.00 0.00 31.44 29.77 3k4m n GLU 296 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3k4m s SER 297 N -5.59 -0.39 -0.16 1.62 1.04 -1.25 -4.71 113.70 104.26 3k4m s SER 297 Ca -0.09 -0.21 -0.03 0.00 0.48 0.00 0.00 55.95 56.11 3k4m s SER 297 Cb 0.07 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 3k4m s SER 297 CO 0.83 -0.96 -0.05 -0.22 0.98 0.00 0.00 173.24 173.82 3k4m s LEU 298 N -2.76 3.15 -0.22 2.42 2.96 0.18 -1.69 118.68 122.72 3k4m s LEU 298 Ca 0.06 -0.18 -0.11 0.00 -0.22 0.00 0.00 54.13 53.68 3k4m s LEU 298 Cb -0.02 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 3k4m s LEU 298 CO -0.05 0.15 0.19 -2.28 -1.32 0.00 0.00 176.35 173.04 3k4m s HIS 299 N 0.46 3.35 0.15 5.38 5.65 0.61 0.53 115.29 131.42 3k4m s HIS 299 Ca -0.04 0.32 0.07 0.00 0.25 0.00 0.00 55.06 55.65 3k4m s HIS 299 Cb -0.14 -2.28 -0.04 0.00 -1.18 0.00 0.00 32.58 28.94 3k4m s HIS 299 CO 0.03 0.12 -0.16 0.96 -0.65 0.00 0.00 174.74 175.04 3k4m s ILE 300 N 0.89 1.56 -0.27 0.89 -4.36 -0.16 -0.51 121.20 119.24 3k4m s ILE 300 Ca 0.09 -1.85 0.01 0.00 -0.26 0.00 0.00 60.65 58.65 3k4m s ILE 300 Cb -0.13 -1.71 0.07 0.00 1.25 0.00 0.00 42.46 41.94 3k4m s ILE 300 CO 0.03 -0.40 -0.02 -2.28 0.24 0.00 0.00 174.94 172.51 3k4m s HIS 301 N -2.21 2.65 -0.13 1.37 5.65 0.67 -1.29 115.29 122.00 3k4m s HIS 301 Ca 0.13 -2.04 -0.29 0.00 0.25 0.00 0.00 55.06 53.10 3k4m s HIS 301 Cb -0.05 -1.88 -0.04 0.00 -1.18 0.00 0.00 32.58 29.43 3k4m s HIS 301 CO 0.05 -0.83 1.62 0.34 -0.65 0.00 0.00 174.74 175.26 3k4m s ASP 302 N 1.30 6.56 0.35 9.88 3.68 0.25 -0.99 116.67 137.70 3k4m s ASP 302 Ca -0.01 1.96 0.23 0.00 2.13 0.00 0.00 52.55 56.86 3k4m s ASP 302 Cb -0.19 -2.53 0.28 0.00 -1.45 0.00 0.00 42.92 39.03 3k4m s ASP 302 CO -0.09 -1.05 1.46 -0.07 0.13 0.00 0.00 175.17 175.55 3k4m h LEU 303 N 10.82 0.00 0.01 -1.34 3.38 -1.27 0.68 115.31 127.60 3k4m h LEU 303 Ca -0.36 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 3k4m h LEU 303 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3k4m h LEU 303 CO 0.97 0.00 -0.01 0.40 0.09 0.00 0.00 178.44 179.90 3k4m h ILE 304 N 0.00 0.00 0.00 1.22 1.08 -1.92 -3.36 117.51 114.53 3k4m h ILE 304 Ca 0.00 -0.46 -0.07 0.00 -0.39 0.00 0.00 64.86 63.94 3k4m h ILE 304 Cb 0.97 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 3k4m h ILE 304 CO 0.00 0.00 -0.35 0.77 -0.69 0.00 0.00 178.15 177.88 3k4m h SER 305 N -0.48 0.00 0.00 1.72 4.64 -1.95 -3.47 113.55 114.02 3k4m h SER 305 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k4m h SER 305 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3k4m h SER 305 CO 0.00 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 3k4m n GLY 306 N -0.40 0.81 3.79 -0.77 0.00 0.24 -5.04 105.19 103.81 3k4m n GLY 306 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3k4m n GLY 306 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k4m s ASP 307 N -2.75 7.29 -0.02 1.61 1.01 -1.17 -4.76 116.67 117.88 3k4m s ASP 307 Ca 0.00 1.82 -0.03 0.00 0.71 0.00 0.00 52.55 55.05 3k4m s ASP 307 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 3k4m s ASP 307 CO 0.00 -0.10 0.17 -0.13 0.21 0.00 0.00 175.17 175.32 3k4m s ARG 308 N -2.20 3.41 0.04 8.23 0.52 -1.26 -0.58 118.95 127.11 3k4m s ARG 308 Ca 0.52 -0.32 -0.04 0.00 -0.52 0.00 0.00 55.73 55.36 3k4m s ARG 308 Cb -0.17 -3.08 -0.02 0.00 0.52 0.00 0.00 34.95 32.20 3k4m s ARG 308 CO 0.22 0.68 0.07 -0.06 0.02 0.00 0.00 175.30 176.23 3k4m s PHE 309 N -1.29 0.26 -0.24 -0.53 0.08 -0.41 -5.00 117.98 110.85 3k4m s PHE 309 Ca 0.26 -0.62 -0.06 0.00 0.12 0.00 0.00 56.93 56.64 3k4m s PHE 309 Cb -0.13 -0.19 -0.02 0.00 -0.57 0.00 0.00 43.02 42.12 3k4m s PHE 309 CO 0.17 -0.37 0.02 -1.21 -0.10 0.00 0.00 175.22 173.73 3k4m s GLU 310 N -2.85 3.52 -0.10 0.44 0.41 -1.26 -0.99 118.70 117.87 3k4m s GLU 310 Ca -0.03 -0.55 -0.06 0.00 -0.41 0.00 0.00 54.97 53.92 3k4m s GLU 310 Cb 0.00 -3.17 -0.04 0.00 -1.78 0.00 0.00 34.13 29.14 3k4m s GLU 310 CO -0.06 -0.19 0.15 0.42 -0.49 0.00 0.00 175.26 175.09 3k4m s ILE 311 N 1.55 5.48 -0.09 -1.63 -1.09 0.19 -4.88 121.20 120.73 3k4m s ILE 311 Ca 0.06 0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.64 3k4m s ILE 311 Cb -0.15 -3.43 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 3k4m s ILE 311 CO 0.00 0.56 -0.09 -0.75 -1.23 0.00 0.00 174.94 173.44 3k4m s LYS 312 N -1.21 2.92 0.11 2.79 2.20 -1.26 0.48 119.74 125.77 3k4m s LYS 312 Ca 0.18 -0.59 -0.10 0.00 -0.36 0.00 0.00 55.97 55.09 3k4m s LYS 312 Cb -0.12 -2.60 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 3k4m s LYS 312 CO 0.07 0.53 0.25 0.00 -0.36 0.00 0.00 175.35 175.84 3k4m s ALA 313 N -0.46 -0.29 0.22 3.13 0.00 -1.25 -1.38 121.76 121.73 3k4m s ALA 313 Ca 0.06 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 3k4m s ALA 313 Cb -0.12 0.61 0.20 0.00 0.00 0.00 0.00 23.12 23.81 3k4m s ALA 313 CO 0.02 -0.57 1.59 -0.44 0.00 0.00 0.00 175.76 176.36 3k4m h ASP 314 N 2.63 0.64 -4.03 0.00 3.32 -0.75 -3.46 116.42 114.77 3k4m h ASP 314 Ca -0.33 -0.28 -0.47 0.00 0.02 0.00 0.00 57.03 55.97 3k4m h ASP 314 Cb 1.22 -0.18 -0.30 0.00 0.22 0.00 0.00 39.33 40.29 3k4m h ASP 314 CO 0.53 0.95 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.51 3k4m s VAL 315 N -4.29 1.01 -0.15 -1.35 1.01 -0.05 -4.80 120.40 111.78 3k4m s VAL 315 Ca -0.08 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3k4m s VAL 315 Cb 0.12 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.66 3k4m s VAL 315 CO 0.83 0.29 -0.19 -0.31 0.00 0.00 0.00 175.10 175.72 3k4m s TYR 316 N -0.12 2.50 -0.19 5.22 1.51 0.38 -1.03 117.35 125.62 3k4m s TYR 316 Ca 0.02 -1.37 -0.01 0.00 -1.01 0.00 0.00 57.07 54.70 3k4m s TYR 316 Cb -0.07 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 3k4m s TYR 316 CO 0.00 -0.68 -0.12 0.08 -1.11 0.00 0.00 175.55 173.73 3k4m s VAL 317 N 1.16 2.78 -0.33 0.71 1.01 0.10 -1.51 120.40 124.31 3k4m s VAL 317 Ca -0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 3k4m s VAL 317 Cb -0.14 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 3k4m s VAL 317 CO -0.08 0.48 0.27 -0.76 0.00 0.00 0.00 175.10 175.01 3k4m s LEU 318 N 1.25 4.43 -0.32 3.92 1.43 0.73 0.11 118.68 130.22 3k4m s LEU 318 Ca 0.03 -0.31 0.17 0.00 -1.03 0.00 0.00 54.13 52.99 3k4m s LEU 318 Cb -0.14 -2.19 0.46 0.00 0.03 0.00 0.00 46.19 44.35 3k4m s LEU 318 CO -0.06 -0.23 1.02 0.35 0.23 0.00 0.00 176.35 177.65 3k4m n THR 319 N 5.13 1.31 1.04 5.49 -2.24 0.14 -1.75 114.28 123.41 3k4m n THR 319 Ca -0.12 -3.34 0.07 0.00 -2.27 0.00 0.00 64.05 58.39 3k4m n THR 319 Cb 0.50 0.44 0.24 0.00 -2.10 0.00 0.00 70.33 69.41 3k4m n THR 319 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4m n ALA 320 N -0.26 2.48 0.00 6.98 0.00 -0.99 -4.16 120.51 124.55 3k4m n ALA 320 Ca 0.14 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3k4m n ALA 320 Cb 0.80 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3k4m n ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4m n GLY 321 N 1.07 0.81 0.23 0.00 0.00 -1.26 -3.95 105.19 102.09 3k4m n GLY 321 Ca 0.13 -1.93 0.14 0.00 0.00 0.00 0.00 46.02 44.36 3k4m n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m h ALA 322 N 0.00 1.00 0.09 4.61 0.00 -1.91 -2.30 119.26 120.74 3k4m h ALA 322 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 3k4m h ALA 322 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3k4m h ALA 322 CO 0.00 0.00 -1.69 0.28 0.00 0.00 0.00 179.25 177.84 3k4m h VAL 323 N 0.00 0.78 0.00 0.00 2.07 -1.97 -3.35 116.25 113.79 3k4m h VAL 323 Ca 0.00 -2.31 -0.13 0.00 0.82 0.00 0.00 66.70 65.08 3k4m h VAL 323 Cb 0.79 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 3k4m h VAL 323 CO 0.00 0.70 -1.31 0.45 0.02 0.00 0.00 177.57 177.43 3k4m h HIS 324 N -0.29 0.00 -0.02 1.57 -0.00 -1.66 -1.24 115.15 113.50 3k4m h HIS 324 Ca -0.38 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.02 3k4m h HIS 324 Cb 1.79 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 29.15 3k4m h HIS 324 CO 0.09 0.46 -0.31 -0.91 -0.00 0.00 0.00 177.93 177.26 3k4m h ASN 325 N 0.00 -0.93 -0.83 2.45 2.35 -1.57 0.55 115.58 117.60 3k4m h ASN 325 Ca -0.13 0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3k4m h ASN 325 Cb 1.46 0.38 -0.05 0.00 0.05 0.00 0.00 38.32 40.16 3k4m h ASN 325 CO 0.04 -0.37 0.54 0.74 -1.65 0.00 0.00 177.43 176.73 3k4m h THR 326 N -0.44 1.15 -0.36 2.81 2.02 -1.65 -1.26 112.91 115.17 3k4m h THR 326 Ca 0.07 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 66.90 3k4m h THR 326 Cb 0.54 -0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 3k4m h THR 326 CO -0.28 0.19 0.20 -0.61 0.37 0.00 0.00 175.52 175.40 3k4m h GLN 327 N 1.06 0.39 -0.47 6.66 4.15 -0.96 -0.06 115.11 125.88 3k4m h GLN 327 Ca 0.33 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.61 3k4m h GLN 327 Cb -0.02 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 3k4m h GLN 327 CO -0.10 0.26 -0.14 1.25 -1.93 0.00 0.00 178.83 178.16 3k4m h LEU 328 N 0.40 0.89 -0.21 -2.39 5.85 -0.41 0.75 115.31 120.20 3k4m h LEU 328 Ca 0.15 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 3k4m h LEU 328 Cb 0.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3k4m h LEU 328 CO -0.08 1.03 0.12 -0.07 -0.34 0.00 0.00 178.44 179.10 3k4m h LEU 329 N 0.79 0.26 -0.42 2.25 3.38 -0.90 -1.32 115.31 119.35 3k4m h LEU 329 Ca 0.12 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 3k4m h LEU 329 Cb 0.67 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3k4m h LEU 329 CO 0.05 0.25 -0.43 0.58 0.09 0.00 0.00 178.44 178.98 3k4m h VAL 330 N 0.24 1.28 0.00 1.22 2.07 -0.79 -0.59 116.25 119.68 3k4m h VAL 330 Ca 0.07 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.99 3k4m h VAL 330 Cb 0.04 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3k4m h VAL 330 CO -0.01 0.53 0.00 -1.13 0.02 0.00 0.00 177.57 176.98 3k4m h ASN 331 N 0.70 0.00 -0.70 0.57 -1.24 -0.65 -2.45 115.58 111.81 3k4m h ASN 331 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.06 3k4m h ASN 331 Cb 1.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.06 3k4m h ASN 331 CO 0.10 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 175.04 3k4m n SER 332 N -2.57 4.28 0.00 1.15 7.64 -0.34 -4.88 113.62 118.90 3k4m n SER 332 Ca -0.01 -2.19 0.00 0.00 1.01 0.00 0.00 58.87 57.68 3k4m n SER 332 Cb 0.13 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 3k4m n SER 332 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4m n GLY 333 N 1.45 0.67 3.93 0.23 0.00 -0.92 -4.79 105.19 105.75 3k4m n GLY 333 Ca 0.25 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 3k4m n GLY 333 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4m s PHE 334 N -2.00 3.38 0.00 1.61 0.40 -0.56 -4.63 117.98 116.18 3k4m s PHE 334 Ca 0.00 0.54 0.00 0.00 -0.60 0.00 0.00 56.93 56.87 3k4m s PHE 334 Cb 0.00 -2.35 0.00 0.00 0.51 0.00 0.00 43.02 41.18 3k4m s PHE 334 CO 0.00 -0.37 0.00 0.41 0.70 0.00 0.00 175.22 175.96 3k4m n GLY 335 N -2.22 1.09 2.92 4.36 0.00 -0.65 -4.09 105.19 106.59 3k4m n GLY 335 Ca 0.01 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 3k4m n GLY 335 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k4m s GLN 336 N 0.00 1.27 0.34 1.61 0.74 -1.26 -4.68 119.66 117.68 3k4m s GLN 336 Ca 0.00 -0.21 -0.26 0.00 0.05 0.00 0.00 55.36 54.94 3k4m s GLN 336 Cb 0.00 -1.26 -0.10 0.00 1.10 0.00 0.00 33.01 32.75 3k4m s GLN 336 CO 0.00 -0.14 0.98 -1.17 -0.55 0.00 0.00 175.29 174.41 3k4m s LEU 337 N 1.24 4.31 0.00 3.68 2.96 -1.26 -4.69 118.68 124.92 3k4m s LEU 337 Ca -0.05 1.91 0.00 0.00 -0.22 0.00 0.00 54.13 55.77 3k4m s LEU 337 Cb -0.14 -4.03 0.00 0.00 0.50 0.00 0.00 46.19 42.52 3k4m s LEU 337 CO -0.02 -0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.45 3k4m n GLY 338 N 0.54 -2.99 3.77 7.98 0.00 0.95 -4.87 105.19 110.58 3k4m n GLY 338 Ca 0.02 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 3k4m n GLY 338 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k4m s ARG 339 N -0.75 4.40 0.45 1.61 3.52 -1.26 -4.52 118.95 122.39 3k4m s ARG 339 Ca 0.00 2.16 -0.24 0.00 -0.13 0.00 0.00 55.73 57.52 3k4m s ARG 339 Cb 0.00 -3.09 -0.09 0.00 -1.56 0.00 0.00 34.95 30.21 3k4m s ARG 339 CO 0.00 -0.13 1.07 -2.30 -0.81 0.00 0.00 175.30 173.13 3k4m n PRO 340 N 0.87 1.43 -3.54 5.12 -0.02 -1.26 -4.99 135.00 132.61 3k4m n PRO 340 Ca -0.00 0.52 -0.24 0.00 -2.02 0.00 0.00 63.50 61.75 3k4m n PRO 340 Cb 0.42 -2.15 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 3k4m n PRO 340 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3k4m s ASN 341 N -0.77 2.49 0.00 2.55 3.04 -1.26 -5.01 114.94 115.98 3k4m s ASN 341 Ca 0.65 -0.79 0.09 0.00 0.04 0.00 0.00 52.86 52.85 3k4m s ASN 341 Cb -0.52 -0.07 0.39 0.00 -1.54 0.00 0.00 41.25 39.51 3k4m s ASN 341 CO 0.55 -0.38 1.29 -2.65 -3.04 0.00 0.00 177.10 172.87 3k4m n PRO 342 N 5.28 0.00 0.05 0.43 -0.02 -1.26 -1.24 135.00 138.24 3k4m n PRO 342 Ca -0.06 0.34 0.13 0.00 -2.02 0.00 0.00 63.50 61.89 3k4m n PRO 342 Cb 0.46 -1.50 0.34 0.00 -0.02 0.00 0.00 33.50 32.78 3k4m n PRO 342 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k4m n ALA 343 N -1.49 2.77 -3.61 3.55 0.00 -1.26 -4.44 120.51 116.02 3k4m n ALA 343 Ca 0.02 -0.18 -0.27 0.00 0.00 0.00 0.00 53.44 53.01 3k4m n ALA 343 Cb 0.11 -1.30 -0.11 0.00 0.00 0.00 0.00 19.45 18.15 3k4m n ALA 343 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k4m n ASN 344 N -1.90 1.05 -4.78 0.00 2.85 -0.37 -5.11 115.26 106.99 3k4m n ASN 344 Ca 0.05 -2.74 -0.38 0.00 -0.11 0.00 0.00 54.58 51.40 3k4m n ASN 344 Cb 0.40 -0.64 -0.06 0.00 1.24 0.00 0.00 39.78 40.71 3k4m n ASN 344 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3k4m s PRO 345 N -0.62 4.58 0.26 1.20 0.05 -1.26 -4.78 135.00 134.44 3k4m s PRO 345 Ca 0.30 1.26 -0.30 0.00 0.05 0.00 0.00 61.00 62.30 3k4m s PRO 345 Cb 0.01 -2.99 -0.10 0.00 0.05 0.00 0.00 34.50 31.46 3k4m s PRO 345 CO -0.19 0.40 1.49 -2.14 0.05 0.00 0.00 177.00 176.61 3k4m s PRO 346 N -1.71 4.22 0.26 0.56 0.02 -1.26 -4.91 135.00 132.17 3k4m s PRO 346 Ca 0.45 2.39 -0.02 0.00 0.02 0.00 0.00 61.00 63.84 3k4m s PRO 346 Cb -0.21 -3.08 0.46 0.00 0.02 0.00 0.00 34.50 31.69 3k4m s PRO 346 CO 0.25 -0.49 1.83 1.49 -0.33 0.00 0.00 177.00 179.76 3k4m h GLU 347 N 4.99 0.90 -6.15 5.54 4.81 -1.91 -3.42 114.58 119.35 3k4m h GLU 347 Ca -0.46 -0.05 -0.62 0.00 -0.13 0.00 0.00 59.36 58.09 3k4m h GLU 347 Cb 1.22 -0.20 -0.29 0.00 0.63 0.00 0.00 28.75 30.10 3k4m h GLU 347 CO 0.78 0.60 -0.86 -0.51 -0.73 0.00 0.00 179.01 178.29 3k4m s LEU 348 N -10.24 2.06 -1.29 1.64 1.43 -1.26 -4.82 118.68 106.20 3k4m s LEU 348 Ca -0.12 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.46 3k4m s LEU 348 Cb 0.21 -1.10 -0.00 0.00 0.03 0.00 0.00 46.19 45.32 3k4m s LEU 348 CO 0.80 0.25 0.58 0.18 0.23 0.00 0.00 176.35 178.39 3k4m n LEU 349 N 2.43 -2.36 0.23 1.79 4.77 -1.26 -1.64 117.00 120.96 3k4m n LEU 349 Ca -0.16 -1.03 0.16 0.00 -0.03 0.00 0.00 56.01 54.96 3k4m n LEU 349 Cb 0.53 -2.26 0.68 0.00 -2.33 0.00 0.00 43.42 40.03 3k4m n LEU 349 CO 0.23 0.47 1.14 1.55 -1.33 0.00 0.00 177.39 179.45 3k4m h PRO 350 N -1.91 0.00 -0.09 3.23 0.13 -1.88 -1.88 132.00 129.60 3k4m h PRO 350 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 3k4m h PRO 350 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 3k4m h PRO 350 CO 0.56 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.76 3k4m n SER 351 N -3.10 1.06 -4.71 1.44 7.64 -1.26 -4.87 113.62 109.82 3k4m n SER 351 Ca 0.02 -1.56 -0.42 0.00 1.01 0.00 0.00 58.87 57.93 3k4m n SER 351 Cb 0.59 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 3k4m n SER 351 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3k4m s LEU 352 N -1.65 4.36 0.00 -3.43 2.96 -0.71 -2.15 118.68 118.07 3k4m s LEU 352 Ca 0.33 2.28 0.00 0.00 -0.22 0.00 0.00 54.13 56.51 3k4m s LEU 352 Cb 0.17 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.28 3k4m s LEU 352 CO 0.26 -0.67 0.00 0.61 -1.32 0.00 0.00 176.35 175.23 3k4m n GLY 353 N 3.54 0.78 3.66 7.98 0.00 -0.24 -4.82 105.19 116.10 3k4m n GLY 353 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 3k4m n GLY 353 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4m s SER 354 N -2.62 4.44 -1.34 1.61 0.01 -0.91 -0.88 113.70 114.02 3k4m s SER 354 Ca 0.00 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.46 3k4m s SER 354 Cb 0.00 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.53 3k4m s SER 354 CO 0.00 -0.16 0.00 -1.22 0.41 0.00 0.00 173.24 172.27 3k4m n TYR 355 N -0.98 -0.46 -2.48 2.43 4.02 -0.33 -4.69 117.16 114.66 3k4m n TYR 355 Ca -0.05 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.49 3k4m n TYR 355 Cb 0.61 -2.90 -0.03 0.00 -0.02 0.00 0.00 39.34 37.00 3k4m n TYR 355 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3k4m s ILE 356 N -2.66 3.63 0.05 -0.72 -4.36 -0.80 -4.42 121.20 111.93 3k4m s ILE 356 Ca 0.00 1.11 0.06 0.00 -0.26 0.00 0.00 60.65 61.56 3k4m s ILE 356 Cb 0.00 -3.51 -0.03 0.00 1.25 0.00 0.00 42.46 40.18 3k4m s ILE 356 CO 0.00 -0.12 -0.16 0.42 0.24 0.00 0.00 174.94 175.32 3k4m s THR 357 N -1.80 1.24 -0.05 8.37 -4.23 0.17 -4.57 115.64 114.76 3k4m s THR 357 Ca 0.64 -1.15 -0.08 0.00 -1.18 0.00 0.00 61.69 59.92 3k4m s THR 357 Cb -0.20 -1.13 0.02 0.00 1.34 0.00 0.00 72.50 72.52 3k4m s THR 357 CO 0.25 -0.03 0.21 -0.70 -0.54 0.00 0.00 174.62 173.80 3k4m s GLU 358 N -1.36 0.37 0.20 3.99 2.56 -1.26 0.19 118.70 123.39 3k4m s GLU 358 Ca 0.02 0.05 -0.30 0.00 0.00 0.00 0.00 54.97 54.74 3k4m s GLU 358 Cb -0.09 0.17 -0.08 0.00 2.00 0.00 0.00 34.13 36.13 3k4m s GLU 358 CO 0.02 -0.07 1.00 -0.65 -0.56 0.00 0.00 175.26 174.99 3k4m s GLN 359 N -0.48 4.74 0.40 4.30 -0.21 -1.26 -4.57 119.66 122.58 3k4m s GLN 359 Ca -0.06 1.57 -0.27 0.00 0.02 0.00 0.00 55.36 56.62 3k4m s GLN 359 Cb -0.04 -3.29 -0.10 0.00 1.00 0.00 0.00 33.01 30.59 3k4m s GLN 359 CO 0.01 0.32 1.43 -1.12 -2.12 0.00 0.00 175.29 173.82 3k4m s SER 360 N -0.66 6.22 -0.06 5.90 0.01 -1.25 -4.69 113.70 119.16 3k4m s SER 360 Ca 0.44 2.94 0.01 0.00 1.31 0.00 0.00 55.95 60.65 3k4m s SER 360 Cb -0.27 -2.66 0.02 0.00 0.21 0.00 0.00 66.02 63.32 3k4m s SER 360 CO 0.33 -0.94 -0.05 -0.22 0.41 0.00 0.00 173.24 172.77 3k4m s LEU 361 N -2.31 1.22 0.06 2.44 2.96 -1.26 -0.06 118.68 121.73 3k4m s LEU 361 Ca 0.55 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 54.35 3k4m s LEU 361 Cb -0.44 -0.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 3k4m s LEU 361 CO 0.59 -0.08 -0.12 0.68 -1.32 0.00 0.00 176.35 176.11 3k4m s VAL 362 N 1.19 3.27 0.01 1.68 -7.23 0.04 -1.87 120.40 117.48 3k4m s VAL 362 Ca -0.06 -1.11 -0.01 0.00 -1.81 0.00 0.00 61.98 58.99 3k4m s VAL 362 Cb -0.14 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 3k4m s VAL 362 CO -0.02 0.25 0.01 0.12 -0.31 0.00 0.00 175.10 175.16 3k4m s PHE 363 N -1.07 0.12 0.38 2.82 5.36 -0.69 -1.46 117.98 123.43 3k4m s PHE 363 Ca 0.18 -0.24 -0.14 0.00 -0.96 0.00 0.00 56.93 55.77 3k4m s PHE 363 Cb -0.11 -0.09 0.05 0.00 -0.34 0.00 0.00 43.02 42.53 3k4m s PHE 363 CO 0.09 -0.12 0.75 0.00 -1.46 0.00 0.00 175.22 174.49 3k4m s GLN 365 N -2.48 1.28 0.28 0.00 -0.21 -0.56 -0.60 119.66 117.36 3k4m s GLN 365 Ca 0.17 -1.31 0.12 0.00 0.02 0.00 0.00 55.36 54.35 3k4m s GLN 365 Cb -0.05 -1.56 -0.05 0.00 1.00 0.00 0.00 33.01 32.35 3k4m s GLN 365 CO 0.12 0.35 -0.17 0.95 -2.12 0.00 0.00 175.29 174.43 3k4m s THR 366 N -1.40 2.65 -0.23 -0.19 -4.23 -0.11 -0.97 115.64 111.17 3k4m s THR 366 Ca 0.12 -2.32 -0.00 0.00 -1.18 0.00 0.00 61.69 58.31 3k4m s THR 366 Cb -0.09 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.38 3k4m s THR 366 CO 0.06 -0.39 -0.10 -0.69 -0.54 0.00 0.00 174.62 172.95 3k4m s VAL 367 N -2.47 2.60 0.20 2.29 1.01 0.29 -1.54 120.40 122.78 3k4m s VAL 367 Ca 0.30 -1.03 -0.32 0.00 0.00 0.00 0.00 61.98 60.93 3k4m s VAL 367 Cb -0.05 -2.27 -0.15 0.00 0.00 0.00 0.00 36.38 33.90 3k4m s VAL 367 CO 0.16 0.29 1.12 0.80 0.00 0.00 0.00 175.10 177.46 3k4m n MET 368 N 4.64 1.18 -1.79 2.72 1.56 0.70 -3.42 117.12 122.70 3k4m n MET 368 Ca -0.18 0.42 -0.36 0.00 -0.27 0.00 0.00 57.70 57.31 3k4m n MET 368 Cb 0.48 -1.88 0.06 0.00 2.15 0.00 0.00 33.22 34.03 3k4m n MET 368 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 3k4m s SER 369 N -0.14 4.78 0.13 6.12 1.04 -0.36 -4.86 113.70 120.41 3k4m s SER 369 Ca 0.70 2.46 -0.18 0.00 0.48 0.00 0.00 55.95 59.40 3k4m s SER 369 Cb -0.82 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 62.65 3k4m s SER 369 CO 0.54 -1.88 1.77 0.74 0.98 0.00 0.00 173.24 175.39 3k4m h THR 370 N 0.51 1.08 -0.66 2.02 2.02 -1.91 -1.73 112.91 114.24 3k4m h THR 370 Ca -0.50 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 66.61 3k4m h THR 370 Cb 1.31 0.71 -0.12 0.00 -1.74 0.00 0.00 68.15 68.31 3k4m h THR 370 CO 0.53 0.08 -0.37 -0.33 0.37 0.00 0.00 175.52 175.80 3k4m h GLU 371 N 0.36 -0.14 -0.71 6.66 5.08 -1.97 0.26 114.58 124.12 3k4m h GLU 371 Ca 0.10 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3k4m h GLU 371 Cb -0.02 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3k4m h GLU 371 CO -0.02 -0.09 0.17 -0.07 -1.00 0.00 0.00 179.01 178.00 3k4m h LEU 372 N -0.15 1.08 -0.65 1.33 3.38 -1.86 -2.06 115.31 116.38 3k4m h LEU 372 Ca 0.24 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3k4m h LEU 372 Cb 0.56 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3k4m h LEU 372 CO -0.74 1.03 -0.29 0.40 0.09 0.00 0.00 178.44 178.94 3k4m h ILE 373 N 1.08 1.28 0.00 1.22 1.08 -0.50 -2.60 117.51 119.07 3k4m h ILE 373 Ca 0.22 -1.42 -0.11 0.00 -0.39 0.00 0.00 64.86 63.16 3k4m h ILE 373 Cb 0.38 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 3k4m h ILE 373 CO 0.00 0.47 -0.54 0.44 -0.69 0.00 0.00 178.15 177.83 3k4m h ASP 374 N 0.63 0.00 1.09 1.72 3.32 -0.75 -2.81 116.42 119.62 3k4m h ASP 374 Ca 0.08 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3k4m h ASP 374 Cb 0.81 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 3k4m h ASP 374 CO 0.07 0.54 -0.02 0.77 -1.72 0.00 0.00 179.24 178.88 3k4m h SER 375 N 0.00 0.00 -0.43 6.45 4.64 -1.01 -2.39 113.55 120.81 3k4m h SER 375 Ca -0.01 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.35 3k4m h SER 375 Cb 1.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3k4m h SER 375 CO 0.07 0.02 0.29 0.58 -0.87 0.00 0.00 176.83 176.92 3k4m h VAL 376 N 0.00 1.01 -0.41 0.95 2.07 -1.21 -1.78 116.25 116.88 3k4m h VAL 376 Ca -0.00 -0.15 -0.21 0.00 0.82 0.00 0.00 66.70 67.17 3k4m h VAL 376 Cb 0.57 0.55 -0.12 0.00 -1.52 0.00 0.00 31.29 30.76 3k4m h VAL 376 CO 0.00 0.08 -0.00 2.29 0.02 0.00 0.00 177.57 179.96 3k4m n LYS 377 N -4.48 1.94 0.29 1.57 2.85 -0.91 -4.68 118.16 114.75 3k4m n LYS 377 Ca 0.05 -3.16 0.17 0.00 -1.05 0.00 0.00 58.31 54.32 3k4m n LYS 377 Cb 0.18 -1.86 0.86 0.00 -0.65 0.00 0.00 35.03 33.57 3k4m n LYS 377 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3k4m h SER 378 N 1.05 0.00 0.02 -5.58 4.64 -1.17 -2.89 113.55 109.61 3k4m h SER 378 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3k4m h SER 378 Cb 1.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 3k4m h SER 378 CO 0.46 0.05 -0.18 0.47 -0.87 0.00 0.00 176.83 176.76 3k4m n ASP 379 N -3.33 2.13 -4.85 4.97 8.00 -1.26 -4.96 116.55 117.26 3k4m n ASP 379 Ca -0.02 -1.60 -0.33 0.00 0.71 0.00 0.00 54.79 53.56 3k4m n ASP 379 Cb 0.21 0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.41 3k4m n ASP 379 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3k4m s MET 380 N -2.22 4.02 -0.21 -1.24 -1.94 -1.10 -4.55 119.30 112.06 3k4m s MET 380 Ca 0.27 0.67 -0.06 0.00 -1.71 0.00 0.00 55.69 54.85 3k4m s MET 380 Cb 0.20 -2.48 -0.03 0.00 2.01 0.00 0.00 34.83 34.53 3k4m s MET 380 CO 0.42 0.18 0.04 0.99 -0.01 0.00 0.00 175.02 176.65 3k4m s THR 381 N -1.94 4.30 -0.18 2.05 2.01 0.71 -4.93 115.64 117.67 3k4m s THR 381 Ca 0.53 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.35 3k4m s THR 381 Cb -0.11 -2.97 0.03 0.00 0.01 0.00 0.00 72.50 69.46 3k4m s THR 381 CO 0.18 0.40 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.72 3k4m s ILE 382 N 1.07 1.84 0.02 1.82 1.01 -1.26 -1.10 121.20 124.60 3k4m s ILE 382 Ca 0.03 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.82 3k4m s ILE 382 Cb -0.14 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 3k4m s ILE 382 CO 0.03 0.42 -0.08 -0.60 0.00 0.00 0.00 174.94 174.71 3k4m s ARG 383 N 1.36 0.56 0.74 2.79 3.00 -0.08 -5.01 118.95 122.31 3k4m s ARG 383 Ca 0.03 -0.53 0.00 0.00 -1.00 0.00 0.00 55.73 54.23 3k4m s ARG 383 Cb -0.14 -0.46 0.00 0.00 0.00 0.00 0.00 34.95 34.35 3k4m s ARG 383 CO -0.11 0.11 0.00 0.41 0.00 0.00 0.00 175.30 175.71 3k4m n GLY 384 N 2.14 -2.15 3.25 8.12 0.00 -1.26 -1.24 105.19 114.05 3k4m n GLY 384 Ca -0.18 -1.46 -0.25 0.00 0.00 0.00 0.00 46.02 44.13 3k4m n GLY 384 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k4m s THR 385 N -0.25 1.63 0.44 2.61 -4.23 -1.26 -4.90 115.64 109.68 3k4m s THR 385 Ca 0.00 -1.23 -0.26 0.00 -1.18 0.00 0.00 61.69 59.02 3k4m s THR 385 Cb 0.00 -1.43 -0.09 0.00 1.34 0.00 0.00 72.50 72.32 3k4m s THR 385 CO 0.00 0.15 1.40 -2.65 -0.54 0.00 0.00 174.62 172.98 3k4m n PRO 386 N 1.75 2.21 0.00 3.99 -0.02 -1.26 -2.70 135.00 138.97 3k4m n PRO 386 Ca -0.18 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3k4m n PRO 386 Cb 0.53 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3k4m n PRO 386 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 387 N 0.63 2.68 3.72 -1.23 0.00 -1.26 -5.03 105.19 104.69 3k4m n GLY 387 Ca 0.05 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 3k4m n GLY 387 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4m s GLU 388 N 0.00 -0.61 0.22 1.61 2.02 -1.10 -4.98 118.70 115.87 3k4m s GLU 388 Ca 0.00 -0.24 -0.06 0.00 0.02 0.00 0.00 54.97 54.69 3k4m s GLU 388 Cb 0.00 -1.68 0.21 0.00 0.10 0.00 0.00 34.13 32.75 3k4m s GLU 388 CO 0.00 -3.27 1.75 1.25 0.02 0.00 0.00 175.26 175.01 3k4m h LEU 389 N -2.26 0.98 -3.56 1.80 5.85 -1.97 -3.28 115.31 112.87 3k4m h LEU 389 Ca -0.44 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 57.94 3k4m h LEU 389 Cb 1.27 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.96 3k4m h LEU 389 CO 0.34 0.95 0.17 0.35 -0.34 0.00 0.00 178.44 179.91 3k4m n THR 390 N -4.24 2.76 -1.94 1.05 -2.24 -1.26 -4.97 114.28 103.44 3k4m n THR 390 Ca 0.05 -1.46 -0.42 0.00 -2.27 0.00 0.00 64.05 59.94 3k4m n THR 390 Cb 0.25 -0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 3k4m n THR 390 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3k4m s TYR 391 N -2.80 2.26 -0.06 4.78 5.04 -1.24 -4.28 117.35 121.05 3k4m s TYR 391 Ca 0.53 0.26 -0.01 0.00 -2.44 0.00 0.00 57.07 55.41 3k4m s TYR 391 Cb 0.41 -3.96 0.03 0.00 0.35 0.00 0.00 41.96 38.79 3k4m s TYR 391 CO 0.14 -3.92 -0.01 0.45 -1.34 0.00 0.00 175.55 170.87 3k4m s SER 392 N 2.73 1.31 -0.10 4.32 0.15 -0.37 -5.01 113.70 116.73 3k4m s SER 392 Ca 0.74 -0.09 0.02 0.00 0.70 0.00 0.00 55.95 57.32 3k4m s SER 392 Cb -0.38 -0.42 0.02 0.00 -1.71 0.00 0.00 66.02 63.53 3k4m s SER 392 CO 0.32 -0.15 -0.14 -0.69 1.20 0.00 0.00 173.24 173.77 3k4m s VAL 393 N 1.64 1.42 0.10 4.45 1.01 -1.26 -0.91 120.40 126.86 3k4m s VAL 393 Ca -0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 3k4m s VAL 393 Cb -0.13 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 3k4m s VAL 393 CO -0.04 0.43 0.19 0.42 0.00 0.00 0.00 175.10 176.10 3k4m s THR 394 N 0.99 0.13 0.06 3.92 -4.23 -0.26 -4.94 115.64 111.32 3k4m s THR 394 Ca -0.07 -1.29 -0.04 0.00 -1.18 0.00 0.00 61.69 59.11 3k4m s THR 394 Cb -0.15 -1.49 -0.03 0.00 1.34 0.00 0.00 72.50 72.18 3k4m s THR 394 CO -0.01 -0.59 0.05 -0.72 -0.54 0.00 0.00 174.62 172.81 3k4m s TYR 395 N -3.90 0.39 -0.26 3.99 1.13 -1.26 0.25 117.35 117.69 3k4m s TYR 395 Ca 0.08 -0.89 -0.19 0.00 -1.41 0.00 0.00 57.07 54.67 3k4m s TYR 395 Cb 0.05 -0.27 -0.02 0.00 -1.10 0.00 0.00 41.96 40.62 3k4m s TYR 395 CO -0.08 -0.43 0.57 0.99 -2.51 0.00 0.00 175.55 174.09 3k4m s THR 396 N -3.85 5.02 0.42 -3.49 2.01 -1.26 -5.02 115.64 109.47 3k4m s THR 396 Ca 0.06 0.99 -0.26 0.00 0.31 0.00 0.00 61.69 62.79 3k4m s THR 396 Cb 0.07 -3.88 -0.08 0.00 0.01 0.00 0.00 72.50 68.61 3k4m s THR 396 CO -0.10 0.05 1.34 -2.84 -0.69 0.00 0.00 174.62 172.37 3k4m s PRO 397 N 2.41 3.86 -0.20 4.92 0.02 -1.26 -2.88 135.00 141.87 3k4m s PRO 397 Ca 0.24 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.48 3k4m s PRO 397 Cb -0.16 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.66 3k4m s PRO 397 CO 0.09 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 3k4m n GLY 398 N 0.64 0.18 3.72 0.52 0.00 -1.26 -4.91 105.19 104.07 3k4m n GLY 398 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3k4m n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m n ALA 399 N 0.83 2.65 0.27 4.61 0.00 -1.14 -4.86 120.51 122.87 3k4m n ALA 399 Ca -0.02 0.40 0.15 0.00 0.00 0.00 0.00 53.44 53.96 3k4m n ALA 399 Cb 0.42 -2.49 0.74 0.00 0.00 0.00 0.00 19.45 18.12 3k4m n ALA 399 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k4m h SER 400 N 6.10 0.00 -0.10 0.00 4.64 -1.92 -1.65 113.55 120.62 3k4m h SER 400 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3k4m h SER 400 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3k4m h SER 400 CO 0.90 0.09 0.00 0.35 -0.87 0.00 0.00 176.83 177.31 3k4m n THR 401 N -3.39 0.12 -2.06 2.95 -2.24 -1.26 -4.87 114.28 103.53 3k4m n THR 401 Ca -0.01 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 3k4m n THR 401 Cb 0.26 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 3k4m n THR 401 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3k4m s ASN 402 N -1.70 6.72 0.39 3.42 -0.87 -0.62 -4.90 114.94 117.37 3k4m s ASN 402 Ca 0.34 2.38 0.19 0.00 -1.57 0.00 0.00 52.86 54.20 3k4m s ASN 402 Cb 0.18 -2.57 0.76 0.00 -0.02 0.00 0.00 41.25 39.60 3k4m s ASN 402 CO 0.28 -0.78 1.77 0.11 -2.57 0.00 0.00 177.10 175.92 3k4m h LYS 403 N 7.55 0.00 -6.21 -0.60 6.56 -1.89 -3.46 116.57 118.52 3k4m h LYS 403 Ca -0.41 0.00 -0.61 0.00 -1.06 0.00 0.00 60.65 58.57 3k4m h LYS 403 Cb 1.20 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.72 3k4m h LYS 403 CO 0.90 0.34 -0.76 -1.01 -2.06 0.00 0.00 179.45 176.87 3k4m s HIS 404 N -3.70 2.29 0.81 -1.35 3.76 -1.26 -5.14 115.29 110.70 3k4m s HIS 404 Ca -0.00 -0.33 -0.11 0.00 -0.15 0.00 0.00 55.06 54.46 3k4m s HIS 404 Cb 0.11 -0.99 0.08 0.00 1.11 0.00 0.00 32.58 32.89 3k4m s HIS 404 CO 0.68 0.72 1.09 -2.14 -0.85 0.00 0.00 174.74 174.23 3k4m s PRO 405 N -3.50 1.94 0.20 8.40 0.02 -1.26 -4.85 135.00 135.95 3k4m s PRO 405 Ca 0.30 0.80 -0.11 0.00 0.02 0.00 0.00 61.00 62.01 3k4m s PRO 405 Cb -0.05 -1.89 0.13 0.00 0.02 0.00 0.00 34.50 32.72 3k4m s PRO 405 CO 0.15 -1.76 1.84 -0.44 -0.33 0.00 0.00 177.00 176.46 3k4m h ASP 406 N -1.20 0.85 -0.76 2.53 3.32 -1.98 -2.56 116.42 116.61 3k4m h ASP 406 Ca -0.47 -0.06 0.11 0.00 0.02 0.00 0.00 57.03 56.63 3k4m h ASP 406 Cb 1.26 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.54 3k4m h ASP 406 CO 0.56 0.66 0.50 4.11 -1.72 0.00 0.00 179.24 183.36 3k4m h TRP 407 N 0.97 0.68 0.35 4.55 5.08 -1.99 0.78 115.95 126.37 3k4m h TRP 407 Ca 0.26 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 60.23 3k4m h TRP 407 Cb -0.04 -0.22 0.00 0.00 -3.00 0.00 0.00 29.16 25.91 3k4m h TRP 407 CO -0.01 0.30 -0.17 2.35 -1.28 0.00 0.00 178.44 179.63 3k4m h TRP 408 N 0.62 -0.43 -0.53 0.12 2.91 -1.84 -2.47 115.95 114.32 3k4m h TRP 408 Ca 0.36 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.41 3k4m h TRP 408 Cb 0.56 0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 29.32 3k4m h TRP 408 CO -0.00 -0.15 0.35 -0.91 -1.03 0.00 0.00 178.44 176.70 3k4m h ASN 409 N -1.03 0.50 0.13 2.65 2.35 -1.11 -0.23 115.58 118.84 3k4m h ASN 409 Ca -0.05 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3k4m h ASN 409 Cb 0.48 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3k4m h ASN 409 CO 0.08 0.34 -0.11 -0.08 -1.65 0.00 0.00 177.43 176.01 3k4m h GLU 410 N 0.58 -0.25 -0.65 0.81 4.57 0.58 -1.07 114.58 119.14 3k4m h GLU 410 Ca 0.22 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 3k4m h GLU 410 Cb 0.14 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 3k4m h GLU 410 CO -0.06 -0.17 0.28 0.87 -1.18 0.00 0.00 179.01 178.76 3k4m h LYS 411 N -0.26 0.93 -0.05 1.92 1.57 -0.60 -0.99 116.57 119.09 3k4m h LYS 411 Ca 0.00 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 3k4m h LYS 411 Cb 0.24 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3k4m h LYS 411 CO -0.02 0.74 -0.11 0.28 -0.57 0.00 0.00 179.45 179.77 3k4m h VAL 412 N 0.92 1.43 -0.64 0.50 2.07 -1.12 -1.88 116.25 117.53 3k4m h VAL 412 Ca 0.22 -1.45 0.11 0.00 0.82 0.00 0.00 66.70 66.40 3k4m h VAL 412 Cb 0.14 2.28 -0.12 0.00 -1.52 0.00 0.00 31.29 32.07 3k4m h VAL 412 CO -0.02 0.40 -0.33 0.50 0.02 0.00 0.00 177.57 178.14 3k4m h LYS 413 N -0.36 -0.13 -0.12 1.57 3.64 -0.65 0.15 116.57 120.67 3k4m h LYS 413 Ca 0.00 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 3k4m h LYS 413 Cb 0.70 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 3k4m h LYS 413 CO 0.02 -0.09 -0.57 -0.91 -2.27 0.00 0.00 179.45 175.63 3k4m h ASN 414 N -0.13 0.44 -0.36 4.20 2.35 -1.13 -2.09 115.58 118.86 3k4m h ASN 414 Ca 0.25 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3k4m h ASN 414 Cb 0.55 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 3k4m h ASN 414 CO -0.72 0.92 0.12 -0.74 -1.65 0.00 0.00 177.43 175.36 3k4m h HIS 415 N 0.30 0.58 0.00 1.19 2.76 -0.77 0.35 115.15 119.55 3k4m h HIS 415 Ca 0.00 -0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.08 3k4m h HIS 415 Cb 1.09 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.88 3k4m h HIS 415 CO 0.03 0.55 -0.16 0.52 -1.30 0.00 0.00 177.93 177.58 3k4m h MET 416 N 0.44 0.00 0.02 5.26 2.86 -0.52 -2.05 114.93 120.94 3k4m h MET 416 Ca 0.12 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.42 3k4m h MET 416 Cb 0.24 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 3k4m h MET 416 CO -0.00 0.16 -2.01 -1.33 1.06 0.00 0.00 176.91 174.78 3k4m n MET 417 N -3.36 0.67 0.27 1.72 2.00 -0.80 -4.08 117.12 113.54 3k4m n MET 417 Ca -0.00 0.20 0.15 0.00 0.00 0.00 0.00 57.70 58.05 3k4m n MET 417 Cb 0.37 -1.68 0.64 0.00 0.00 0.00 0.00 33.22 32.55 3k4m n MET 417 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 3k4m h GLN 418 N 0.01 0.00 -1.92 0.03 7.50 -0.23 -3.38 115.11 117.12 3k4m h GLN 418 Ca -0.41 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.21 3k4m h GLN 418 Cb 2.07 0.00 -0.38 0.00 0.05 0.00 0.00 27.48 29.21 3k4m h GLN 418 CO 0.05 0.06 -1.10 0.72 -1.50 0.00 0.00 178.83 177.06 3k4m n HIS 419 N -3.19 -0.40 1.58 2.96 8.25 -0.78 -4.94 115.22 118.70 3k4m n HIS 419 Ca 0.00 -3.53 0.15 0.00 -0.26 0.00 0.00 57.72 54.08 3k4m n HIS 419 Cb 0.33 -0.28 0.81 0.00 1.12 0.00 0.00 29.99 31.96 3k4m n HIS 419 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3k4m n GLN 420 N 1.22 0.59 0.12 -0.41 6.02 -1.26 -1.37 117.38 122.30 3k4m n GLN 420 Ca 0.21 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.32 3k4m n GLN 420 Cb 0.56 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.38 3k4m n GLN 420 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 3k4m h GLU 421 N 0.00 0.00 -6.59 -1.09 9.09 -1.92 -3.40 114.58 110.67 3k4m h GLU 421 Ca 0.00 0.00 -0.51 0.00 0.05 0.00 0.00 59.36 58.90 3k4m h GLU 421 Cb 0.20 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.27 3k4m h GLU 421 CO 0.00 0.00 0.24 0.34 0.05 0.00 0.00 179.01 179.64 3k4m s ASP 422 N -5.38 7.48 0.00 3.06 2.15 -0.47 -4.97 116.67 118.54 3k4m s ASP 422 Ca 0.02 1.75 0.23 0.00 0.43 0.00 0.00 52.55 54.98 3k4m s ASP 422 Cb 0.09 -2.54 0.60 0.00 -0.30 0.00 0.00 42.92 40.77 3k4m s ASP 422 CO 0.76 0.18 1.48 -0.81 -0.17 0.00 0.00 175.17 176.61 3k4m n PRO 423 N 1.61 2.07 -4.25 4.34 -0.04 -1.26 -4.90 135.00 132.57 3k4m n PRO 423 Ca -0.04 -1.59 -0.30 0.00 -0.04 0.00 0.00 63.50 61.53 3k4m n PRO 423 Cb 0.48 -1.46 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 3k4m n PRO 423 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k4m s LEU 424 N -1.70 3.11 0.00 1.53 1.43 -1.26 -5.02 118.68 116.77 3k4m s LEU 424 Ca 0.34 -0.33 0.28 0.00 -1.03 0.00 0.00 54.13 53.39 3k4m s LEU 424 Cb 0.20 -1.88 1.07 0.00 0.03 0.00 0.00 46.19 45.61 3k4m s LEU 424 CO 0.30 0.19 1.75 -0.81 0.23 0.00 0.00 176.35 178.01 3k4m n PRO 425 N 0.79 1.20 -3.12 1.29 -0.04 -1.26 -4.83 135.00 129.03 3k4m n PRO 425 Ca -0.13 -0.62 -0.40 0.00 -0.04 0.00 0.00 63.50 62.31 3k4m n PRO 425 Cb 0.52 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 3k4m n PRO 425 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3k4m s ILE 426 N -2.23 5.02 0.56 0.52 1.01 -1.26 -4.64 121.20 120.19 3k4m s ILE 426 Ca 0.33 1.18 -0.21 0.00 0.00 0.00 0.00 60.65 61.95 3k4m s ILE 426 Cb 0.20 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 3k4m s ILE 426 CO 0.42 0.10 1.27 -2.65 0.00 0.00 0.00 174.94 174.08 3k4m n PRO 427 N 5.10 1.48 0.09 2.79 -0.02 -1.26 -4.90 135.00 138.27 3k4m n PRO 427 Ca -0.01 0.55 0.02 0.00 -2.02 0.00 0.00 63.50 62.04 3k4m n PRO 427 Cb 0.50 -2.48 0.38 0.00 -0.02 0.00 0.00 33.50 31.88 3k4m n PRO 427 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3k4m h PHE 428 N 1.18 0.32 -0.65 6.00 0.04 -1.97 -2.72 116.94 119.15 3k4m h PHE 428 Ca -0.50 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.24 3k4m h PHE 428 Cb 1.32 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.38 3k4m h PHE 428 CO 0.43 0.40 0.00 0.39 -0.60 0.00 0.00 178.31 178.93 3k4m n GLU 429 N -4.29 3.89 -1.68 1.51 1.02 -1.26 -4.93 120.64 114.89 3k4m n GLU 429 Ca -0.00 -2.91 -0.43 0.00 -0.02 0.00 0.00 57.16 53.79 3k4m n GLU 429 Cb 0.25 -1.95 -0.03 0.00 -0.02 0.00 0.00 31.44 29.68 3k4m n GLU 429 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3k4m n ASP 430 N 1.09 3.90 -4.64 1.62 2.03 -1.03 -4.91 116.55 114.62 3k4m n ASP 430 Ca 0.26 0.98 -0.29 0.00 0.52 0.00 0.00 54.79 56.26 3k4m n ASP 430 Cb 0.93 -1.51 0.18 0.00 -0.72 0.00 0.00 41.12 40.01 3k4m n ASP 430 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3k4m s PRO 431 N 3.03 0.49 0.75 -0.67 0.02 -1.26 -4.96 135.00 132.40 3k4m s PRO 431 Ca 0.84 0.91 -0.12 0.00 0.02 0.00 0.00 61.00 62.66 3k4m s PRO 431 Cb -0.52 -1.71 0.04 0.00 0.02 0.00 0.00 34.50 32.33 3k4m s PRO 431 CO 0.40 -2.79 1.10 -1.83 -0.33 0.00 0.00 177.00 173.55 3k4m s GLU 432 N -4.76 2.38 0.59 5.54 1.03 -1.26 -4.52 118.70 117.70 3k4m s GLU 432 Ca 0.66 1.22 -0.17 0.00 0.03 0.00 0.00 54.97 56.71 3k4m s GLU 432 Cb -0.21 -1.91 -0.04 0.00 -0.80 0.00 0.00 34.13 31.18 3k4m s GLU 432 CO 0.59 -1.56 1.08 -1.25 -1.33 0.00 0.00 175.26 172.80 3k4m s PRO 433 N -4.71 3.25 -0.44 -4.83 0.04 -1.26 -4.51 135.00 122.54 3k4m s PRO 433 Ca 0.63 1.33 0.07 0.00 0.04 0.00 0.00 61.00 63.07 3k4m s PRO 433 Cb -0.18 -2.01 0.25 0.00 0.04 0.00 0.00 34.50 32.59 3k4m s PRO 433 CO 0.53 -0.88 0.70 1.04 0.04 0.00 0.00 177.00 178.42 3k4m n GLN 434 N -1.89 0.75 -4.41 4.56 1.13 -1.23 -3.13 117.38 113.15 3k4m n GLN 434 Ca 0.10 -2.53 -0.32 0.00 -1.94 0.00 0.00 57.00 52.31 3k4m n GLN 434 Cb 0.52 -1.33 -0.10 0.00 0.11 0.00 0.00 30.24 29.44 3k4m n GLN 434 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3k4m s VAL 435 N -0.33 3.65 -0.01 5.09 1.01 0.15 -1.03 120.40 128.93 3k4m s VAL 435 Ca 0.34 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 3k4m s VAL 435 Cb 0.20 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.98 3k4m s VAL 435 CO -0.17 0.35 0.16 0.28 0.00 0.00 0.00 175.10 175.72 3k4m s THR 436 N -1.04 0.07 -0.18 3.92 -1.32 0.34 -0.46 115.64 116.97 3k4m s THR 436 Ca 0.18 -0.61 -0.00 0.00 -1.21 0.00 0.00 61.69 60.05 3k4m s THR 436 Cb -0.11 -0.44 0.01 0.00 -1.51 0.00 0.00 72.50 70.45 3k4m s THR 436 CO 0.09 -0.33 -0.15 0.28 -2.21 0.00 0.00 174.62 172.30 3k4m s THR 437 N -1.25 2.57 0.60 5.08 -1.32 -1.26 -0.60 115.64 119.46 3k4m s THR 437 Ca -0.13 -0.78 -0.14 0.00 -1.21 0.00 0.00 61.69 59.43 3k4m s THR 437 Cb -0.07 -2.11 -0.04 0.00 -1.51 0.00 0.00 72.50 68.78 3k4m s THR 437 CO 0.02 0.50 1.04 -0.76 -2.21 0.00 0.00 174.62 173.21 3k4m s LEU 438 N 1.22 3.43 0.09 9.08 1.43 -1.26 -3.66 118.68 129.01 3k4m s LEU 438 Ca 0.02 1.67 -0.36 0.00 -1.03 0.00 0.00 54.13 54.43 3k4m s LEU 438 Cb -0.14 -4.51 -0.17 0.00 0.03 0.00 0.00 46.19 41.40 3k4m s LEU 438 CO -0.07 -1.04 1.27 0.33 0.23 0.00 0.00 176.35 177.06 3k4m n PHE 439 N -2.22 1.34 -4.21 0.29 -0.00 -1.20 -4.95 117.46 106.51 3k4m n PHE 439 Ca 0.08 0.70 -0.13 0.00 -0.00 0.00 0.00 57.45 58.10 3k4m n PHE 439 Cb 0.53 -2.29 -0.10 0.00 -0.00 0.00 0.00 39.48 37.63 3k4m n PHE 439 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 3k4m s GLN 440 N 0.26 1.20 0.35 -4.13 -1.52 -0.97 -4.96 119.66 109.91 3k4m s GLN 440 Ca 0.83 -1.63 0.06 0.00 -1.95 0.00 0.00 55.36 52.67 3k4m s GLN 440 Cb -0.98 0.17 0.67 0.00 -0.22 0.00 0.00 33.01 32.65 3k4m s GLN 440 CO 0.49 -0.36 1.89 -1.35 -0.25 0.00 0.00 175.29 175.72 3k4m h PRO 441 N 2.61 0.44 -0.00 2.91 0.11 -1.99 -0.87 132.00 135.22 3k4m h PRO 441 Ca -0.36 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3k4m h PRO 441 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3k4m h PRO 441 CO 0.55 0.49 -0.10 -1.13 -0.21 0.00 0.00 178.00 177.61 3k4m n SER 442 N -4.29 0.18 -3.16 -2.05 3.41 -1.26 -3.97 113.62 102.48 3k4m n SER 442 Ca 0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.41 3k4m n SER 442 Cb 0.24 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3k4m n SER 442 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k4m n HIS 443 N -1.33 -1.29 -1.27 7.33 1.44 -0.45 -5.06 115.22 114.60 3k4m n HIS 443 Ca 0.10 -3.03 -0.37 0.00 -2.01 0.00 0.00 57.72 52.42 3k4m n HIS 443 Cb 0.30 0.29 -0.02 0.00 0.12 0.00 0.00 29.99 30.67 3k4m n HIS 443 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3k4m n PRO 444 N 2.09 2.82 -3.65 -1.40 -0.04 -0.51 -2.28 135.00 132.03 3k4m n PRO 444 Ca 0.22 -2.09 -0.13 0.00 -0.04 0.00 0.00 63.50 61.47 3k4m n PRO 444 Cb 0.53 -2.86 -0.06 0.00 -0.04 0.00 0.00 33.50 31.06 3k4m n PRO 444 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3k4m s TRP 445 N 3.10 -0.30 0.35 0.54 -2.14 -1.26 -4.37 118.94 114.87 3k4m s TRP 445 Ca 0.55 0.28 -0.11 0.00 2.66 0.00 0.00 56.10 59.48 3k4m s TRP 445 Cb 0.15 0.24 -0.07 0.00 -3.10 0.00 0.00 33.47 30.69 3k4m s TRP 445 CO -0.04 -0.58 0.72 -1.58 -2.66 0.00 0.00 176.95 172.81 3k4m s HIS 446 N -2.45 3.43 0.03 1.66 5.65 -0.58 -3.23 115.29 119.82 3k4m s HIS 446 Ca -0.05 1.05 0.06 0.00 0.25 0.00 0.00 55.06 56.37 3k4m s HIS 446 Cb -0.01 -2.43 -0.02 0.00 -1.18 0.00 0.00 32.58 28.94 3k4m s HIS 446 CO -0.02 0.02 -0.18 0.95 -0.65 0.00 0.00 174.74 174.86 3k4m s THR 447 N -2.17 1.41 -0.07 0.89 -4.23 -1.24 -1.22 115.64 109.01 3k4m s THR 447 Ca 0.51 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 3k4m s THR 447 Cb -0.10 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.53 3k4m s THR 447 CO 0.26 0.15 -0.06 -1.10 -0.54 0.00 0.00 174.62 173.33 3k4m s GLN 448 N -1.05 1.19 -0.33 3.99 -0.21 0.46 -4.46 119.66 119.25 3k4m s GLN 448 Ca 0.05 -0.18 0.03 0.00 0.02 0.00 0.00 55.36 55.28 3k4m s GLN 448 Cb -0.08 -1.20 0.10 0.00 1.00 0.00 0.00 33.01 32.82 3k4m s GLN 448 CO 0.01 -0.15 0.05 0.42 -2.12 0.00 0.00 175.29 173.50 3k4m s ILE 449 N 1.26 2.05 0.00 1.08 1.09 0.39 -1.24 121.20 125.83 3k4m s ILE 449 Ca -0.05 -2.15 0.00 0.00 -1.10 0.00 0.00 60.65 57.35 3k4m s ILE 449 Cb -0.14 -2.50 0.00 0.00 -1.06 0.00 0.00 42.46 38.76 3k4m s ILE 449 CO -0.02 -0.57 0.00 0.00 -0.10 0.00 0.00 174.94 174.24 3k4m n HIS 450 N 4.36 -0.08 -3.76 3.97 1.44 -0.54 -0.68 115.22 119.92 3k4m n HIS 450 Ca 0.02 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.49 3k4m n HIS 450 Cb 0.42 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.36 3k4m n HIS 450 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3k4m s ARG 451 N 0.65 0.58 0.36 -1.40 1.81 -1.18 0.26 118.95 120.03 3k4m s ARG 451 Ca 0.00 0.04 0.07 0.00 -1.72 0.00 0.00 55.73 54.12 3k4m s ARG 451 Cb 0.00 -1.14 -0.00 0.00 -0.45 0.00 0.00 34.95 33.35 3k4m s ARG 451 CO 0.00 -0.36 0.50 0.34 -0.68 0.00 0.00 175.30 175.10 3k4m s ASP 452 N 1.97 5.85 0.13 0.23 -1.08 -1.26 -5.00 116.67 117.51 3k4m s ASP 452 Ca 0.04 -0.27 -0.32 0.00 -0.52 0.00 0.00 52.55 51.47 3k4m s ASP 452 Cb -0.13 -1.03 -0.12 0.00 -1.46 0.00 0.00 42.92 40.18 3k4m s ASP 452 CO -0.06 -0.54 1.76 0.00 0.52 0.00 0.00 175.17 176.85 3k4m n ALA 453 N -1.70 2.04 -2.53 3.66 0.00 -1.26 -4.96 120.51 115.75 3k4m n ALA 453 Ca 0.03 0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.66 3k4m n ALA 453 Cb 0.58 -2.51 -0.11 0.00 0.00 0.00 0.00 19.45 17.41 3k4m n ALA 453 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3k4m s PHE 454 N 2.06 1.20 -0.29 0.00 5.36 -1.26 -4.78 117.98 120.27 3k4m s PHE 454 Ca 0.81 -0.58 -0.02 0.00 -0.96 0.00 0.00 56.93 56.18 3k4m s PHE 454 Cb -0.55 -0.65 0.05 0.00 -0.34 0.00 0.00 43.02 41.53 3k4m s PHE 454 CO 0.38 0.06 -0.01 -1.54 -1.46 0.00 0.00 175.22 172.65 3k4m s SER 455 N -2.31 4.81 0.15 6.13 1.04 -1.26 -4.62 113.70 117.63 3k4m s SER 455 Ca 0.05 -1.22 -0.30 0.00 0.48 0.00 0.00 55.95 54.96 3k4m s SER 455 Cb -0.05 -1.70 -0.07 0.00 0.10 0.00 0.00 66.02 64.30 3k4m s SER 455 CO 0.02 -0.24 1.16 0.26 0.98 0.00 0.00 173.24 175.42 3k4m s TRP 456 N 1.26 3.49 1.28 5.02 0.52 -1.26 -5.05 118.94 124.21 3k4m s TRP 456 Ca -0.05 1.46 -0.20 0.00 0.02 0.00 0.00 56.10 57.33 3k4m s TRP 456 Cb -0.19 -3.37 0.32 0.00 -1.15 0.00 0.00 33.47 29.07 3k4m s TRP 456 CO -0.02 -0.99 1.04 0.20 0.02 0.00 0.00 176.95 177.20 3k4m s GLY 457 N 0.29 1.52 0.26 0.98 0.00 -1.26 -4.90 107.32 104.21 3k4m s GLY 457 Ca 0.53 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.38 3k4m s GLY 457 CO 0.34 0.05 1.69 0.00 0.00 0.00 0.00 173.10 175.19 3k4m h ALA 458 N -2.89 1.03 0.17 3.20 0.00 -2.01 -3.12 119.26 115.63 3k4m h ALA 458 Ca -0.45 -0.35 -0.30 0.00 0.00 0.00 0.00 54.91 53.81 3k4m h ALA 458 Cb 1.31 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.99 3k4m h ALA 458 CO 0.33 0.58 -1.32 -0.24 0.00 0.00 0.00 179.25 178.60 3k4m h VAL 459 N 0.50 1.38 0.00 0.00 3.04 -1.97 -2.93 116.25 116.27 3k4m h VAL 459 Ca 0.07 -2.79 0.00 0.00 -1.01 0.00 0.00 66.70 62.97 3k4m h VAL 459 Cb 0.69 2.91 0.00 0.00 -2.01 0.00 0.00 31.29 32.88 3k4m h VAL 459 CO 0.05 0.83 0.00 0.00 -1.01 0.00 0.00 177.57 177.44 3k4m n GLN 460 N -3.66 0.50 0.02 4.17 6.02 -1.20 -1.02 117.38 122.21 3k4m n GLN 460 Ca -0.12 0.04 0.13 0.00 -0.01 0.00 0.00 57.00 57.03 3k4m n GLN 460 Cb 1.04 -1.50 0.34 0.00 1.02 0.00 0.00 30.24 31.13 3k4m n GLN 460 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3k4m n GLN 461 N -1.18 0.09 0.10 -1.09 6.02 -1.11 -3.33 117.38 116.89 3k4m n GLN 461 Ca 0.14 0.04 0.12 0.00 -0.01 0.00 0.00 57.00 57.29 3k4m n GLN 461 Cb 0.15 -1.57 0.45 0.00 1.02 0.00 0.00 30.24 30.29 3k4m n GLN 461 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3k4m n SER 462 N -1.71 0.67 -4.66 1.08 2.88 -0.19 -4.71 113.62 106.98 3k4m n SER 462 Ca 0.05 0.60 -0.36 0.00 -1.33 0.00 0.00 58.87 57.84 3k4m n SER 462 Cb 0.37 -0.77 -0.09 0.00 -0.75 0.00 0.00 64.21 62.97 3k4m n SER 462 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3k4m s ILE 463 N -3.18 5.21 0.15 2.46 -1.09 -1.21 -5.04 121.20 118.51 3k4m s ILE 463 Ca 0.08 0.13 -0.31 0.00 -2.23 0.00 0.00 60.65 58.31 3k4m s ILE 463 Cb 0.11 -3.41 -0.11 0.00 -1.58 0.00 0.00 42.46 37.48 3k4m s ILE 463 CO 0.50 0.38 1.76 -0.62 -1.23 0.00 0.00 174.94 175.73 3k4m s ASP 464 N 0.85 6.43 0.57 3.58 -1.08 -1.26 -4.84 116.67 120.92 3k4m s ASP 464 Ca 0.07 2.77 0.35 0.00 -0.52 0.00 0.00 52.55 55.22 3k4m s ASP 464 Cb -0.13 -2.58 1.60 0.00 -1.46 0.00 0.00 42.92 40.35 3k4m s ASP 464 CO 0.03 -0.97 2.08 0.77 0.52 0.00 0.00 175.17 177.59 3k4m h SER 465 N 7.79 0.00 -0.09 -0.34 4.64 -1.94 -1.66 113.55 121.96 3k4m h SER 465 Ca -0.44 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.90 3k4m h SER 465 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3k4m h SER 465 CO 0.95 0.03 0.19 0.03 -0.87 0.00 0.00 176.83 177.15 3k4m h ARG 466 N 0.00 0.00 0.00 4.77 3.08 -1.98 -1.77 114.38 118.48 3k4m h ARG 466 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k4m h ARG 466 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3k4m h ARG 466 CO 0.00 0.00 -0.39 -0.07 -1.07 0.00 0.00 179.97 178.44 3k4m h LEU 467 N 0.00 0.00 -9.60 3.04 3.38 -1.67 -3.47 115.31 106.99 3k4m h LEU 467 Ca 0.04 -0.10 -0.64 0.00 0.09 0.00 0.00 57.88 57.27 3k4m h LEU 467 Cb 0.42 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 3k4m h LEU 467 CO -0.00 0.05 -0.40 -0.63 0.09 0.00 0.00 178.44 177.55 3k4m s ILE 468 N -3.17 5.37 -0.03 1.22 1.01 -0.67 -0.22 121.20 124.72 3k4m s ILE 468 Ca 0.07 0.39 0.02 0.00 0.00 0.00 0.00 60.65 61.13 3k4m s ILE 468 Cb 0.12 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 39.10 3k4m s ILE 468 CO 0.68 0.58 -0.07 -0.69 0.00 0.00 0.00 174.94 175.45 3k4m s VAL 469 N -0.85 0.62 0.06 2.92 1.01 -0.59 -4.94 120.40 118.63 3k4m s VAL 469 Ca 0.17 -0.25 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 3k4m s VAL 469 Cb -0.13 -0.58 -0.06 0.00 0.00 0.00 0.00 36.38 35.61 3k4m s VAL 469 CO 0.06 0.21 0.50 -1.81 0.00 0.00 0.00 175.10 174.06 3k4m s ASP 470 N 0.38 6.90 -0.16 3.32 1.01 0.14 -0.93 116.67 127.33 3k4m s ASP 470 Ca -0.05 1.09 0.02 0.00 0.71 0.00 0.00 52.55 54.32 3k4m s ASP 470 Cb -0.09 -2.29 0.01 0.00 1.01 0.00 0.00 42.92 41.56 3k4m s ASP 470 CO 0.00 0.25 -0.21 0.26 0.21 0.00 0.00 175.17 175.68 3k4m s TRP 471 N -1.19 2.71 -0.08 4.23 0.52 0.23 -1.47 118.94 123.90 3k4m s TRP 471 Ca 0.29 -1.47 0.01 0.00 0.02 0.00 0.00 56.10 54.95 3k4m s TRP 471 Cb -0.17 -1.86 0.02 0.00 -1.15 0.00 0.00 33.47 30.31 3k4m s TRP 471 CO 0.17 -0.69 -0.07 1.03 0.02 0.00 0.00 176.95 177.41 3k4m s ARG 472 N 1.00 1.29 -0.03 4.98 0.52 -0.38 -1.88 118.95 124.46 3k4m s ARG 472 Ca -0.02 -0.22 0.07 0.00 -0.52 0.00 0.00 55.73 55.04 3k4m s ARG 472 Cb -0.15 -1.27 -0.02 0.00 0.52 0.00 0.00 34.95 34.03 3k4m s ARG 472 CO -0.06 -0.14 -0.24 -0.06 0.02 0.00 0.00 175.30 174.82 3k4m s PHE 473 N 1.24 2.15 -0.14 -0.53 0.40 -0.54 -0.40 117.98 120.17 3k4m s PHE 473 Ca -0.05 -0.46 0.01 0.00 -0.60 0.00 0.00 56.93 55.84 3k4m s PHE 473 Cb -0.14 -1.39 0.02 0.00 0.51 0.00 0.00 43.02 42.02 3k4m s PHE 473 CO -0.02 -0.07 -0.15 -0.06 0.70 0.00 0.00 175.22 175.61 3k4m s PHE 474 N -0.46 2.19 0.30 0.36 0.40 -0.35 -0.78 117.98 119.63 3k4m s PHE 474 Ca 0.06 -1.17 0.06 0.00 -0.60 0.00 0.00 56.93 55.28 3k4m s PHE 474 Cb -0.10 -1.58 -0.02 0.00 0.51 0.00 0.00 43.02 41.83 3k4m s PHE 474 CO -0.00 -0.62 0.40 0.20 0.70 0.00 0.00 175.22 175.89 3k4m s GLY 475 N 1.29 1.49 -0.07 4.36 0.00 0.91 -1.52 107.32 113.77 3k4m s GLY 475 Ca 0.01 -1.41 -0.05 0.00 0.00 0.00 0.00 44.72 43.27 3k4m s GLY 475 CO -0.08 -1.37 0.15 1.09 0.00 0.00 0.00 173.10 172.90 3k4m s ARG 476 N -4.07 3.42 -0.14 2.90 1.70 -1.26 -3.82 118.95 117.68 3k4m s ARG 476 Ca 0.40 -0.22 0.00 0.00 -0.47 0.00 0.00 55.73 55.44 3k4m s ARG 476 Cb -0.09 -3.13 -0.01 0.00 -0.57 0.00 0.00 34.95 31.15 3k4m s ARG 476 CO 0.29 0.73 -0.14 0.99 -1.08 0.00 0.00 175.30 176.10 3k4m s THR 477 N -1.15 2.92 0.12 4.99 2.01 -1.26 -4.74 115.64 118.53 3k4m s THR 477 Ca 0.20 -0.70 -0.32 0.00 0.31 0.00 0.00 61.69 61.18 3k4m s THR 477 Cb -0.12 -2.23 -0.12 0.00 0.01 0.00 0.00 72.50 70.04 3k4m s THR 477 CO 0.10 0.52 1.77 -0.62 -0.69 0.00 0.00 174.62 175.70 3k4m n GLU 478 N 3.70 2.60 -2.11 4.92 1.02 -1.26 -4.09 120.64 125.41 3k4m n GLU 478 Ca -0.18 0.94 -0.42 0.00 -0.02 0.00 0.00 57.16 57.48 3k4m n GLU 478 Cb 0.52 -2.80 -0.03 0.00 -0.02 0.00 0.00 31.44 29.12 3k4m n GLU 478 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3k4m s PRO 479 N 2.22 4.24 -0.01 3.49 0.02 -1.26 -4.83 135.00 138.87 3k4m s PRO 479 Ca 0.81 2.09 0.02 0.00 0.02 0.00 0.00 61.00 63.95 3k4m s PRO 479 Cb -0.55 -3.65 -0.00 0.00 0.02 0.00 0.00 34.50 30.32 3k4m s PRO 479 CO 0.38 -0.67 -0.08 0.15 -0.33 0.00 0.00 177.00 176.45 3k4m s LYS 480 N 2.76 0.69 0.38 5.54 -0.14 -1.26 -4.97 119.74 122.74 3k4m s LYS 480 Ca 0.68 -0.29 0.08 0.00 -1.36 0.00 0.00 55.97 55.08 3k4m s LYS 480 Cb -0.34 -0.67 0.81 0.00 -1.68 0.00 0.00 37.83 35.96 3k4m s LYS 480 CO 0.28 0.16 1.96 1.49 -0.76 0.00 0.00 175.35 178.48 3k4m h GLU 481 N 6.01 0.65 0.00 1.68 4.81 -1.92 -1.72 114.58 124.09 3k4m h GLU 481 Ca -0.31 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3k4m h GLU 481 Cb 1.18 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.41 3k4m h GLU 481 CO 0.50 0.43 0.00 1.05 -0.73 0.00 0.00 179.01 180.26 3k4m h GLU 482 N 0.67 0.00 -6.08 1.92 9.09 -1.96 -3.33 114.58 114.89 3k4m h GLU 482 Ca 0.32 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 59.14 3k4m h GLU 482 Cb 0.36 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.38 3k4m h GLU 482 CO -0.11 0.00 0.65 -0.80 0.05 0.00 0.00 179.01 178.81 3k4m s ASN 483 N -4.54 6.81 0.03 3.06 0.01 -0.70 -4.78 114.94 114.83 3k4m s ASN 483 Ca 0.07 0.86 0.03 0.00 -0.71 0.00 0.00 52.86 53.11 3k4m s ASN 483 Cb 0.11 -2.48 -0.02 0.00 0.41 0.00 0.00 41.25 39.27 3k4m s ASN 483 CO 0.51 -0.78 -0.10 -0.54 -1.51 0.00 0.00 177.10 174.69 3k4m s LYS 484 N 3.37 0.67 -0.31 -0.60 1.02 -0.91 -1.19 119.74 121.79 3k4m s LYS 484 Ca 0.40 -0.58 -0.07 0.00 0.02 0.00 0.00 55.97 55.74 3k4m s LYS 484 Cb -0.13 -0.59 0.01 0.00 -0.52 0.00 0.00 37.83 36.61 3k4m s LYS 484 CO 0.15 0.14 0.10 -1.17 -0.92 0.00 0.00 175.35 173.65 3k4m s LEU 485 N -0.94 4.00 0.37 3.17 2.96 -0.06 -0.96 118.68 127.22 3k4m s LEU 485 Ca -0.02 -0.78 0.04 0.00 -0.22 0.00 0.00 54.13 53.16 3k4m s LEU 485 Cb -0.07 -1.90 -0.06 0.00 0.50 0.00 0.00 46.19 44.66 3k4m s LEU 485 CO 0.00 -0.23 0.05 -1.66 -1.32 0.00 0.00 176.35 173.20 3k4m s TRP 486 N 1.50 2.10 -0.07 5.38 1.48 -0.03 -4.52 118.94 124.80 3k4m s TRP 486 Ca 0.02 -0.90 0.02 0.00 -1.06 0.00 0.00 56.10 54.18 3k4m s TRP 486 Cb -0.18 -1.44 0.01 0.00 -1.16 0.00 0.00 33.47 30.71 3k4m s TRP 486 CO 0.03 0.12 -0.13 -0.06 -4.06 0.00 0.00 176.95 172.86 3k4m s PHE 487 N -3.09 1.49 0.48 1.66 0.08 -1.26 -0.40 117.98 116.93 3k4m s PHE 487 Ca 0.33 -0.54 -0.23 0.00 0.12 0.00 0.00 56.93 56.60 3k4m s PHE 487 Cb 0.08 -1.08 -0.08 0.00 -0.57 0.00 0.00 43.02 41.37 3k4m s PHE 487 CO 0.15 -0.28 1.17 0.45 -0.10 0.00 0.00 175.22 176.62 3k4m n SER 488 N 3.78 1.93 -0.76 1.36 2.88 -0.82 -0.03 113.62 121.96 3k4m n SER 488 Ca -0.23 1.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.43 3k4m n SER 488 Cb 0.52 -1.46 0.32 0.00 -0.75 0.00 0.00 64.21 62.84 3k4m n SER 488 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3k4m n ASP 489 N -0.18 2.30 0.00 -3.46 5.68 -1.26 -4.26 116.55 115.37 3k4m n ASP 489 Ca 0.09 -1.78 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 3k4m n ASP 489 Cb 0.42 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 3k4m n ASP 489 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 3k4m n LYS 490 N 0.76 0.00 -2.37 0.11 4.81 -1.26 -5.03 118.16 115.18 3k4m n LYS 490 Ca 0.17 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.20 3k4m n LYS 490 Cb 0.45 -0.28 -0.03 0.00 0.02 0.00 0.00 35.03 35.19 3k4m n LYS 490 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3k4m s ILE 491 N -1.94 3.49 0.12 3.15 -1.09 -1.26 -5.03 121.20 118.64 3k4m s ILE 491 Ca 0.00 1.30 0.07 0.00 -2.23 0.00 0.00 60.65 59.79 3k4m s ILE 491 Cb 0.00 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 3k4m s ILE 491 CO 0.00 0.23 -0.17 0.42 -1.23 0.00 0.00 174.94 174.20 3k4m s THR 492 N -0.29 1.50 0.20 2.92 -4.23 -1.26 -1.69 115.64 112.80 3k4m s THR 492 Ca 0.51 -1.67 -0.03 0.00 -1.18 0.00 0.00 61.69 59.31 3k4m s THR 492 Cb -0.33 -1.55 0.05 0.00 1.34 0.00 0.00 72.50 72.01 3k4m s THR 492 CO 0.38 -0.29 0.27 -0.90 -0.54 0.00 0.00 174.62 173.54 3k4m n ASP 493 N 0.69 -0.11 0.28 3.99 5.68 0.76 -4.76 116.55 123.08 3k4m n ASP 493 Ca -0.17 -1.05 0.17 0.00 -0.50 0.00 0.00 54.79 53.25 3k4m n ASP 493 Cb 0.56 -0.21 0.70 0.00 -1.14 0.00 0.00 41.12 41.03 3k4m n ASP 493 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k4m h ALA 494 N -1.98 1.01 -0.40 2.12 0.00 -1.99 -1.66 119.26 116.36 3k4m h ALA 494 Ca -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3k4m h ALA 494 Cb 0.24 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3k4m h ALA 494 CO 0.06 0.02 0.02 0.66 0.00 0.00 0.00 179.25 180.01 3k4m n TYR 495 N -3.12 1.42 -2.53 0.00 4.02 -1.26 -4.95 117.16 110.74 3k4m n TYR 495 Ca 0.00 -0.88 -0.13 0.00 -0.01 0.00 0.00 57.90 56.89 3k4m n TYR 495 Cb 0.30 -0.41 0.01 0.00 -0.02 0.00 0.00 39.34 39.22 3k4m n TYR 495 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3k4m n ASN 496 N -0.16 -4.06 -4.60 7.72 5.15 -0.62 -5.02 115.26 113.68 3k4m n ASN 496 Ca 0.25 -0.11 -0.29 0.00 -0.60 0.00 0.00 54.58 53.83 3k4m n ASN 496 Cb 1.03 -3.06 -0.09 0.00 -0.53 0.00 0.00 39.78 37.14 3k4m n ASN 496 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3k4m s MET 497 N -4.99 2.18 -0.03 1.20 -1.94 -1.26 -4.83 119.30 109.63 3k4m s MET 497 Ca 0.11 -1.06 -0.40 0.00 -1.71 0.00 0.00 55.69 52.63 3k4m s MET 497 Cb -0.05 -2.30 -0.19 0.00 2.01 0.00 0.00 34.83 34.29 3k4m s MET 497 CO 0.14 0.49 1.19 -2.30 -0.01 0.00 0.00 175.02 174.53 3k4m n PRO 498 N 0.47 0.29 -2.34 2.03 -0.02 -1.26 -0.17 135.00 134.00 3k4m n PRO 498 Ca -0.12 0.11 -0.42 0.00 -2.02 0.00 0.00 63.50 61.04 3k4m n PRO 498 Cb 0.53 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 3k4m n PRO 498 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3k4m s GLN 499 N 0.43 4.30 0.49 -0.52 2.00 -0.68 -4.64 119.66 121.05 3k4m s GLN 499 Ca 0.91 1.81 -0.24 0.00 -2.00 0.00 0.00 55.36 55.84 3k4m s GLN 499 Cb -1.21 -3.60 -0.07 0.00 0.80 0.00 0.00 33.01 28.93 3k4m s GLN 499 CO 0.57 -0.55 1.37 -1.25 -0.50 0.00 0.00 175.29 174.94 3k4m s PRO 500 N 2.51 3.47 -0.10 1.67 0.04 -1.26 -1.94 135.00 139.39 3k4m s PRO 500 Ca 0.60 2.29 -0.04 0.00 0.04 0.00 0.00 61.00 63.88 3k4m s PRO 500 Cb -0.27 -2.48 0.05 0.00 0.04 0.00 0.00 34.50 31.84 3k4m s PRO 500 CO 0.23 -0.94 0.22 0.99 0.04 0.00 0.00 177.00 177.54 3k4m s THR 501 N -1.27 -0.09 0.16 1.26 2.01 0.46 -4.61 115.64 113.56 3k4m s THR 501 Ca 0.65 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.86 3k4m s THR 501 Cb -0.41 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 3k4m s THR 501 CO 0.51 0.07 0.29 -0.36 -0.69 0.00 0.00 174.62 174.44 3k4m s PHE 502 N 1.41 3.47 -0.35 4.92 0.08 -1.26 -0.85 117.98 125.40 3k4m s PHE 502 Ca -0.08 0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.08 3k4m s PHE 502 Cb -0.11 -1.65 0.14 0.00 -0.57 0.00 0.00 43.02 40.83 3k4m s PHE 502 CO -0.08 0.51 0.25 0.34 -0.10 0.00 0.00 175.22 176.14 3k4m s ASP 503 N -3.30 2.52 -0.01 1.36 -1.08 -0.13 -4.61 116.67 111.42 3k4m s ASP 503 Ca 0.34 -1.97 0.01 0.00 -0.52 0.00 0.00 52.55 50.41 3k4m s ASP 503 Cb -0.11 -0.14 0.01 0.00 -1.46 0.00 0.00 42.92 41.22 3k4m s ASP 503 CO 0.28 -0.30 -0.01 0.12 0.52 0.00 0.00 175.17 175.78 3k4m s PHE 504 N 1.23 0.21 0.04 -5.34 2.19 0.03 -2.14 117.98 114.20 3k4m s PHE 504 Ca 0.17 -0.02 0.03 0.00 0.33 0.00 0.00 56.93 57.45 3k4m s PHE 504 Cb -0.21 -0.20 -0.02 0.00 -1.31 0.00 0.00 43.02 41.28 3k4m s PHE 504 CO -0.02 -0.04 -0.09 1.03 1.83 0.00 0.00 175.22 177.93 3k4m s ARG 505 N 0.28 0.60 0.14 10.12 1.81 -1.26 -3.80 118.95 126.84 3k4m s ARG 505 Ca -0.02 -0.74 -0.31 0.00 -1.72 0.00 0.00 55.73 52.93 3k4m s ARG 505 Cb -0.05 -0.45 -0.09 0.00 -0.45 0.00 0.00 34.95 33.91 3k4m s ARG 505 CO -0.01 0.10 1.48 -0.06 -0.68 0.00 0.00 175.30 176.13 3k4m s PHE 506 N -1.20 3.14 0.64 -0.53 0.08 -1.26 -4.92 117.98 113.94 3k4m s PHE 506 Ca -0.06 0.79 -0.17 0.00 0.12 0.00 0.00 56.93 57.61 3k4m s PHE 506 Cb -0.09 -3.80 -0.01 0.00 -0.57 0.00 0.00 43.02 38.55 3k4m s PHE 506 CO 0.01 -2.90 1.16 -2.14 -0.10 0.00 0.00 175.22 171.25 3k4m s PRO 507 N 1.15 2.76 0.98 0.24 0.02 -1.26 -4.90 135.00 133.98 3k4m s PRO 507 Ca 0.67 1.63 -0.12 0.00 0.02 0.00 0.00 61.00 63.20 3k4m s PRO 507 Cb -0.40 -1.92 0.18 0.00 0.02 0.00 0.00 34.50 32.37 3k4m s PRO 507 CO 0.31 -1.33 1.09 0.00 -0.33 0.00 0.00 177.00 176.74 3k4m s ALA 508 N -1.98 1.06 0.00 -1.55 0.00 -1.26 -3.04 121.76 114.99 3k4m s ALA 508 Ca 0.72 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.43 3k4m s ALA 508 Cb -0.26 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3k4m s ALA 508 CO 0.38 -2.75 0.00 0.41 0.00 0.00 0.00 175.76 173.80 3k4m n GLY 509 N -1.00 0.55 0.26 0.00 0.00 -1.26 -4.43 105.19 99.31 3k4m n GLY 509 Ca 0.06 -1.28 0.04 0.00 0.00 0.00 0.00 46.02 44.83 3k4m n GLY 509 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3k4m h ARG 510 N 0.00 0.21 -0.94 1.61 2.43 -1.99 -1.93 114.38 113.76 3k4m h ARG 510 Ca 0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3k4m h ARG 510 Cb 0.00 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 3k4m h ARG 510 CO 0.00 0.14 0.62 1.15 -1.51 0.00 0.00 179.97 180.36 3k4m h THR 511 N 0.21 1.17 -0.00 0.20 2.02 -1.77 0.81 112.91 115.55 3k4m h THR 511 Ca 0.38 -0.41 -0.16 0.00 0.77 0.00 0.00 66.41 66.99 3k4m h THR 511 Cb 0.63 -0.14 0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3k4m h THR 511 CO -0.51 0.22 -0.61 0.28 0.37 0.00 0.00 175.52 175.27 3k4m h SER 512 N 1.20 0.54 -0.05 4.18 0.02 -1.39 -0.77 113.55 117.27 3k4m h SER 512 Ca 0.37 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 3k4m h SER 512 Cb -0.01 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 3k4m h SER 512 CO -0.12 1.23 0.03 0.50 -1.14 0.00 0.00 176.83 177.34 3k4m h LYS 513 N -0.10 0.07 -0.79 3.45 3.64 -1.17 -2.52 116.57 119.16 3k4m h LYS 513 Ca -0.08 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3k4m h LYS 513 Cb 1.32 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.08 3k4m h LYS 513 CO 0.12 0.06 0.51 0.93 -2.27 0.00 0.00 179.45 178.80 3k4m h GLU 514 N 0.06 0.98 -0.41 1.90 5.08 -0.92 0.19 114.58 121.46 3k4m h GLU 514 Ca 0.02 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3k4m h GLU 514 Cb 0.01 -0.22 -0.08 0.00 0.50 0.00 0.00 28.75 28.96 3k4m h GLU 514 CO -0.00 0.65 -0.11 0.00 -1.00 0.00 0.00 179.01 178.54 3k4m h ALA 515 N 1.31 0.26 0.01 3.43 0.00 -0.88 0.13 119.26 123.52 3k4m h ALA 515 Ca 0.31 0.16 -0.23 0.00 0.00 0.00 0.00 54.91 55.15 3k4m h ALA 515 Cb -0.04 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3k4m h ALA 515 CO -0.09 -0.46 -0.96 1.49 0.00 0.00 0.00 179.25 179.23 3k4m h GLU 516 N -0.01 0.40 -0.38 0.00 4.57 -1.13 -1.92 114.58 116.11 3k4m h GLU 516 Ca 0.20 -0.44 -0.03 0.00 -1.18 0.00 0.00 59.36 57.91 3k4m h GLU 516 Cb 0.32 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 3k4m h GLU 516 CO -0.43 1.11 0.10 -0.44 -1.18 0.00 0.00 179.01 178.16 3k4m h ASP 517 N 0.22 0.50 -0.35 1.04 3.32 -0.27 -2.76 116.42 118.12 3k4m h ASP 517 Ca -0.08 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 3k4m h ASP 517 Cb 1.60 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 41.00 3k4m h ASP 517 CO 0.16 0.50 0.11 -0.03 -1.72 0.00 0.00 179.24 178.27 3k4m h MET 518 N 0.54 0.54 -0.36 3.56 4.05 -0.41 -1.59 114.93 121.26 3k4m h MET 518 Ca 0.13 -0.12 0.04 0.00 -0.28 0.00 0.00 59.70 59.47 3k4m h MET 518 Cb 0.20 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.88 3k4m h MET 518 CO -0.00 0.57 0.12 1.98 0.23 0.00 0.00 176.91 179.80 3k4m h MET 519 N 0.41 0.26 -0.52 0.39 1.85 -1.13 -1.17 114.93 115.02 3k4m h MET 519 Ca 0.11 -0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.20 3k4m h MET 519 Cb 0.25 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.19 3k4m h MET 519 CO -0.00 0.17 0.32 1.15 -0.40 0.00 0.00 176.91 178.15 3k4m h THR 520 N 0.27 1.08 -0.86 -0.77 2.02 -1.40 -0.93 112.91 112.32 3k4m h THR 520 Ca 0.17 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 3k4m h THR 520 Cb 0.15 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 3k4m h THR 520 CO -0.17 0.12 0.52 -0.78 0.37 0.00 0.00 175.52 175.58 3k4m h ASP 521 N 0.65 1.03 -0.52 4.18 3.58 -0.68 0.18 116.42 124.85 3k4m h ASP 521 Ca 0.20 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 3k4m h ASP 521 Cb -0.02 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.75 3k4m h ASP 521 CO -0.07 0.79 0.29 -0.03 -2.88 0.00 0.00 179.24 177.34 3k4m h MET 522 N 1.19 0.72 -0.77 0.28 4.05 -0.25 0.01 114.93 120.16 3k4m h MET 522 Ca 0.31 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.65 3k4m h MET 522 Cb -0.06 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 30.56 3k4m h MET 522 CO -0.06 0.55 0.47 0.00 0.23 0.00 0.00 176.91 178.09 3k4m h VAL 524 N 1.05 1.31 0.11 0.00 2.07 -0.26 -3.17 116.25 117.36 3k4m h VAL 524 Ca 0.28 -1.77 -0.28 0.00 0.82 0.00 0.00 66.70 65.75 3k4m h VAL 524 Cb -0.04 1.88 0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3k4m h VAL 524 CO -0.05 0.56 -1.20 -0.03 0.02 0.00 0.00 177.57 176.86 3k4m h MET 525 N 0.43 0.41 -0.38 1.57 -1.53 -0.87 -3.26 114.93 111.29 3k4m h MET 525 Ca -0.01 -0.59 -0.02 0.00 -3.44 0.00 0.00 59.70 55.64 3k4m h MET 525 Cb 1.16 0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 32.40 3k4m h MET 525 CO 0.12 1.25 0.17 0.66 0.14 0.00 0.00 176.91 179.25 3k4m h SER 526 N 0.16 0.51 -1.16 1.39 4.64 -1.24 -1.90 113.55 115.95 3k4m h SER 526 Ca -0.15 -0.14 0.42 0.00 -0.47 0.00 0.00 61.79 61.45 3k4m h SER 526 Cb 1.89 -0.13 -0.15 0.00 -0.31 0.00 0.00 62.40 63.70 3k4m h SER 526 CO 0.21 0.51 0.70 0.00 -0.87 0.00 0.00 176.83 177.38 3k4m h ALA 527 N 1.02 2.42 0.00 5.18 0.00 -1.59 0.38 119.26 126.67 3k4m h ALA 527 Ca 0.13 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3k4m h ALA 527 Cb 0.15 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3k4m h ALA 527 CO -0.01 -1.11 0.00 0.87 0.00 0.00 0.00 179.25 178.99 3k4m h LYS 528 N 0.09 0.00 0.00 0.00 1.57 -1.46 -3.10 116.57 113.66 3k4m h LYS 528 Ca 0.83 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 59.38 3k4m h LYS 528 Cb 2.35 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.61 3k4m h LYS 528 CO -0.58 0.00 -1.86 -0.89 -0.57 0.00 0.00 179.45 175.55 3k4m n ILE 529 N -2.42 0.86 0.00 1.86 2.08 0.00 -4.98 119.36 116.76 3k4m n ILE 529 Ca 0.00 -0.35 0.00 0.00 0.56 0.00 0.00 62.75 62.97 3k4m n ILE 529 Cb 0.16 -1.01 0.00 0.00 -0.75 0.00 0.00 39.64 38.04 3k4m n ILE 529 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3k4m n GLY 530 N 2.74 1.09 3.78 7.39 0.00 -0.48 -1.22 105.19 118.49 3k4m n GLY 530 Ca -0.26 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 3k4m n GLY 530 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k4m s GLY 531 N 0.00 1.84 0.54 -0.02 0.00 -1.22 -3.62 107.32 104.85 3k4m s GLY 531 Ca 0.00 0.32 -0.22 0.00 0.00 0.00 0.00 44.72 44.82 3k4m s GLY 531 CO 0.00 0.65 1.34 0.69 0.00 0.00 0.00 173.10 175.78 3k4m n PHE 532 N -3.02 2.23 -2.94 1.90 3.72 -1.26 -0.54 117.46 117.55 3k4m n PHE 532 Ca 0.09 0.43 -0.41 0.00 -0.05 0.00 0.00 57.45 57.51 3k4m n PHE 532 Cb 0.53 -2.35 -0.05 0.00 -0.94 0.00 0.00 39.48 36.67 3k4m n PHE 532 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3k4m s LEU 533 N -3.30 4.13 0.23 4.37 2.96 -0.15 -4.64 118.68 122.29 3k4m s LEU 533 Ca 0.71 1.05 -0.31 0.00 -0.22 0.00 0.00 54.13 55.36 3k4m s LEU 533 Cb -0.42 -3.14 -0.14 0.00 0.50 0.00 0.00 46.19 42.98 3k4m s LEU 533 CO 0.49 -0.41 1.28 -2.65 -1.32 0.00 0.00 176.35 173.74 3k4m n PRO 534 N 5.47 1.69 0.00 0.98 -0.02 -1.26 -0.43 135.00 141.42 3k4m n PRO 534 Ca 0.04 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3k4m n PRO 534 Cb 0.49 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3k4m n PRO 534 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 535 N 1.93 1.77 2.48 -1.23 0.00 -1.26 -4.79 105.19 104.10 3k4m n GLY 535 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 3k4m n GLY 535 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k4m n SER 536 N 0.00 1.80 -4.90 1.61 7.64 0.43 -5.07 113.62 115.13 3k4m n SER 536 Ca 0.00 -3.02 -0.29 0.00 1.01 0.00 0.00 58.87 56.57 3k4m n SER 536 Cb 0.00 -0.56 0.07 0.00 -1.01 0.00 0.00 64.21 62.71 3k4m n SER 536 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k4m s LEU 537 N -2.92 2.68 0.20 -3.43 1.43 -1.25 -1.50 118.68 113.89 3k4m s LEU 537 Ca 0.36 0.87 -0.32 0.00 -1.03 0.00 0.00 54.13 54.02 3k4m s LEU 537 Cb 0.39 -3.49 -0.11 0.00 0.03 0.00 0.00 46.19 43.01 3k4m s LEU 537 CO -0.05 -1.67 1.63 -2.84 0.23 0.00 0.00 176.35 173.66 3k4m s PRO 538 N -5.46 4.17 -0.05 1.29 0.02 -1.26 -4.57 135.00 129.14 3k4m s PRO 538 Ca 0.60 2.49 -0.27 0.00 0.02 0.00 0.00 61.00 63.84 3k4m s PRO 538 Cb -0.11 -3.10 0.06 0.00 0.02 0.00 0.00 34.50 31.37 3k4m s PRO 538 CO 0.50 -0.67 0.59 1.14 -0.33 0.00 0.00 177.00 178.23 3k4m s GLN 539 N 0.93 0.96 0.08 5.54 -2.07 -0.63 -5.00 119.66 119.48 3k4m s GLN 539 Ca 0.71 0.17 -0.30 0.00 -1.82 0.00 0.00 55.36 54.12 3k4m s GLN 539 Cb -0.47 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 31.85 3k4m s GLN 539 CO 0.34 -0.29 1.03 -0.06 -1.32 0.00 0.00 175.29 174.99 3k4m s PHE 540 N -1.19 3.66 0.42 9.60 0.08 -1.26 -1.70 117.98 127.59 3k4m s PHE 540 Ca -0.11 1.65 -0.16 0.00 0.12 0.00 0.00 56.93 58.42 3k4m s PHE 540 Cb -0.01 -3.18 -0.09 0.00 -0.57 0.00 0.00 43.02 39.17 3k4m s PHE 540 CO 0.08 -0.27 0.86 -1.64 -0.10 0.00 0.00 175.22 174.16 3k4m s MET 541 N 0.39 4.00 0.00 0.44 -1.94 -0.78 -4.98 119.30 116.42 3k4m s MET 541 Ca 0.51 0.81 -0.39 0.00 -1.71 0.00 0.00 55.69 54.91 3k4m s MET 541 Cb -0.25 -2.28 -0.18 0.00 2.01 0.00 0.00 34.83 34.13 3k4m s MET 541 CO 0.30 -0.05 1.26 -1.91 -0.01 0.00 0.00 175.02 174.62 3k4m n GLU 542 N -0.96 0.62 -1.68 2.03 2.13 -1.26 -4.75 120.64 116.77 3k4m n GLU 542 Ca 0.05 0.22 -0.45 0.00 0.66 0.00 0.00 57.16 57.65 3k4m n GLU 542 Cb 0.54 -1.80 -0.04 0.00 0.27 0.00 0.00 31.44 30.41 3k4m n GLU 542 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3k4m n PRO 543 N 2.33 2.49 -0.09 5.31 -0.02 -1.26 -1.05 135.00 142.70 3k4m n PRO 543 Ca 0.20 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 3k4m n PRO 543 Cb 0.13 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 30.85 3k4m n PRO 543 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 544 N 4.05 1.57 0.38 -1.23 0.00 -1.26 -0.13 105.19 108.57 3k4m n GLY 544 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 3k4m n GLY 544 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k4m h LEU 545 N 0.00 0.60 -2.03 0.99 5.85 -1.15 -0.86 115.31 118.71 3k4m h LEU 545 Ca 0.00 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.88 3k4m h LEU 545 Cb 0.00 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3k4m h LEU 545 CO 0.00 0.27 0.28 1.62 -0.34 0.00 0.00 178.44 180.27 3k4m h VAL 546 N 0.62 0.73 -5.71 1.05 3.04 -1.88 -3.47 116.25 110.64 3k4m h VAL 546 Ca 0.48 0.00 -0.36 0.00 -1.01 0.00 0.00 66.70 65.81 3k4m h VAL 546 Cb 0.89 0.80 0.15 0.00 -2.01 0.00 0.00 31.29 31.12 3k4m h VAL 546 CO -0.23 0.00 -0.72 0.18 -1.01 0.00 0.00 177.57 175.79 3k4m n LEU 547 N -4.30 -3.73 -0.69 3.16 4.77 -0.33 -4.90 117.00 110.99 3k4m n LEU 547 Ca 0.06 -0.58 0.06 0.00 -0.03 0.00 0.00 56.01 55.52 3k4m n LEU 547 Cb 0.46 -3.07 0.18 0.00 -2.33 0.00 0.00 43.42 38.66 3k4m n LEU 547 CO 0.35 0.51 0.33 1.41 -1.33 0.00 0.00 177.39 178.66 3k4m n HIS 548 N -4.53 0.00 -1.61 -1.77 8.25 -1.26 -5.04 115.22 109.26 3k4m n HIS 548 Ca -0.15 -1.32 -0.46 0.00 -0.26 0.00 0.00 57.72 55.54 3k4m n HIS 548 Cb 0.62 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.47 3k4m n HIS 548 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3k4m n LEU 549 N -0.91 2.10 -4.32 2.41 7.94 -1.26 -4.61 117.00 118.36 3k4m n LEU 549 Ca 0.17 1.15 -0.17 0.00 -1.11 0.00 0.00 56.01 56.05 3k4m n LEU 549 Cb 0.75 -1.30 -0.10 0.00 0.53 0.00 0.00 43.42 43.30 3k4m n LEU 549 CO -0.04 -1.07 -0.38 -0.83 -1.11 0.00 0.00 177.39 173.96 3k4m s GLY 550 N -0.08 1.41 -0.05 -3.96 0.00 0.50 -4.41 107.32 100.73 3k4m s GLY 550 Ca 0.67 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.72 3k4m s GLY 550 CO 0.54 -1.68 0.00 0.61 0.00 0.00 0.00 173.10 172.57 3k4m n GLY 551 N -0.36 0.43 0.25 0.20 0.00 -0.94 -0.66 105.19 104.11 3k4m n GLY 551 Ca -0.07 -0.94 0.15 0.00 0.00 0.00 0.00 46.02 45.16 3k4m n GLY 551 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3k4m h THR 552 N 0.00 0.00 -1.01 2.61 1.35 -1.70 -3.33 112.91 110.84 3k4m h THR 552 Ca -0.01 -0.67 -0.37 0.00 -0.55 0.00 0.00 66.41 64.81 3k4m h THR 552 Cb 0.03 1.67 -0.27 0.00 -1.73 0.00 0.00 68.15 67.85 3k4m h THR 552 CO 0.01 0.00 -0.82 0.00 -0.25 0.00 0.00 175.52 174.47 3k4m n HIS 553 N -3.05 -1.53 -1.49 4.73 1.44 -0.44 -1.08 115.22 113.80 3k4m n HIS 553 Ca 0.02 -2.86 -0.30 0.00 -2.01 0.00 0.00 57.72 52.56 3k4m n HIS 553 Cb 0.38 0.60 0.09 0.00 0.12 0.00 0.00 29.99 31.18 3k4m n HIS 553 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3k4m s ARG 554 N -0.78 2.18 -0.02 -1.40 1.70 -1.02 -3.82 118.95 115.79 3k4m s ARG 554 Ca 0.32 0.78 -0.02 0.00 -0.47 0.00 0.00 55.73 56.33 3k4m s ARG 554 Cb 0.28 -1.92 -0.04 0.00 -0.57 0.00 0.00 34.95 32.70 3k4m s ARG 554 CO -0.11 -1.59 0.14 1.41 -1.08 0.00 0.00 175.30 174.07 3k4m s MET 555 N -5.08 3.28 0.32 3.89 -2.45 0.11 -0.43 119.30 118.95 3k4m s MET 555 Ca 0.61 -0.37 -0.18 0.00 -1.25 0.00 0.00 55.69 54.50 3k4m s MET 555 Cb -0.15 -3.01 0.06 0.00 1.25 0.00 0.00 34.83 32.99 3k4m s MET 555 CO 0.55 0.67 0.86 0.20 1.05 0.00 0.00 175.02 178.36 3k4m s GLY 556 N -1.77 0.29 -0.06 2.11 0.00 -0.56 -4.54 107.32 102.79 3k4m s GLY 556 Ca 0.24 -0.62 -0.17 0.00 0.00 0.00 0.00 44.72 44.17 3k4m s GLY 556 CO 0.15 0.50 0.75 0.74 0.00 0.00 0.00 173.10 175.24 3k4m h PHE 557 N 2.00 0.61 -3.19 1.90 0.04 -1.93 -3.35 116.94 113.02 3k4m h PHE 557 Ca -0.31 -0.44 -0.58 0.00 2.80 0.00 0.00 57.97 59.44 3k4m h PHE 557 Cb 1.24 -0.02 -0.36 0.00 2.20 0.00 0.00 35.95 39.01 3k4m h PHE 557 CO 1.35 1.50 -0.83 0.34 -0.60 0.00 0.00 178.31 180.08 3k4m s ASP 558 N -7.15 2.45 0.20 2.17 2.15 -1.26 -4.90 116.67 110.33 3k4m s ASP 558 Ca -0.16 -0.42 -0.16 0.00 0.43 0.00 0.00 52.55 52.24 3k4m s ASP 558 Cb 0.03 -1.06 0.20 0.00 -0.30 0.00 0.00 42.92 41.79 3k4m s ASP 558 CO 0.83 -0.05 1.61 -0.08 -0.17 0.00 0.00 175.17 177.31 3k4m h GLU 559 N 7.84 -0.07 0.03 4.34 4.81 -1.88 -0.65 114.58 128.99 3k4m h GLU 559 Ca -0.34 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.86 3k4m h GLU 559 Cb 1.15 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3k4m h GLU 559 CO 0.49 -0.05 -0.17 -0.22 -0.73 0.00 0.00 179.01 178.33 3k4m h LYS 560 N -0.08 0.07 -0.81 1.92 3.11 -1.97 -2.16 116.57 116.66 3k4m h LYS 560 Ca 0.28 -0.11 -0.02 0.00 -2.81 0.00 0.00 60.65 57.99 3k4m h LYS 560 Cb 0.51 0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.75 3k4m h LYS 560 CO -0.67 1.02 0.42 0.93 -2.81 0.00 0.00 179.45 178.33 3k4m h GLU 561 N -0.83 1.14 -0.61 1.90 5.08 -1.98 -3.04 114.58 116.25 3k4m h GLU 561 Ca -0.03 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3k4m h GLU 561 Cb 1.10 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3k4m h GLU 561 CO 0.03 0.85 0.00 -0.25 -1.00 0.00 0.00 179.01 178.65 3k4m n ASP 562 N -4.33 3.67 -3.51 1.42 8.00 -0.26 -5.01 116.55 116.53 3k4m n ASP 562 Ca 0.08 -2.02 -0.16 0.00 0.71 0.00 0.00 54.79 53.40 3k4m n ASP 562 Cb 0.12 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 3k4m n ASP 562 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k4m n ASN 563 N 1.28 -5.96 -3.97 -2.24 5.03 -1.04 -4.86 115.26 103.50 3k4m n ASN 563 Ca 0.21 -0.59 -0.09 0.00 0.87 0.00 0.00 54.58 54.97 3k4m n ASN 563 Cb 0.57 -3.00 -0.05 0.00 -1.02 0.00 0.00 39.78 36.28 3k4m n ASN 563 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k4m s VAL 566 N -2.01 2.33 0.00 0.00 -7.23 -0.86 -2.42 120.40 110.21 3k4m s VAL 566 Ca -0.00 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 57.87 3k4m s VAL 566 Cb 0.00 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.73 3k4m s VAL 566 CO 0.01 -0.38 0.00 -0.46 -0.31 0.00 0.00 175.10 173.96 3k4m n ASN 567 N -0.41 0.00 0.00 4.85 0.23 -0.72 -1.50 115.26 117.72 3k4m n ASN 567 Ca -0.07 -0.93 0.12 0.00 -0.53 0.00 0.00 54.58 53.17 3k4m n ASN 567 Cb 0.59 0.00 0.67 0.00 -2.08 0.00 0.00 39.78 38.96 3k4m n ASN 567 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3k4m n THR 568 N -1.14 0.13 0.37 5.53 -2.24 -1.25 -0.23 114.28 115.44 3k4m n THR 568 Ca 0.00 0.03 0.09 0.00 -2.27 0.00 0.00 64.05 61.91 3k4m n THR 568 Cb 0.00 -0.64 0.15 0.00 -2.10 0.00 0.00 70.33 67.73 3k4m n THR 568 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k4m n ASP 569 N -1.15 2.95 -0.49 3.42 8.00 -1.26 -4.65 116.55 123.37 3k4m n ASP 569 Ca 0.15 -1.86 -0.06 0.00 0.71 0.00 0.00 54.79 53.72 3k4m n ASP 569 Cb 0.14 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 3k4m n ASP 569 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3k4m n SER 570 N 1.11 -4.38 -4.73 -2.24 7.64 0.68 -4.22 113.62 107.48 3k4m n SER 570 Ca 0.14 0.16 -0.41 0.00 1.01 0.00 0.00 58.87 59.77 3k4m n SER 570 Cb 0.50 -2.44 -0.04 0.00 -1.01 0.00 0.00 64.21 61.22 3k4m n SER 570 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3k4m s ARG 571 N -2.14 4.55 0.15 1.43 3.52 -1.26 -1.72 118.95 123.48 3k4m s ARG 571 Ca 0.00 1.66 -0.31 0.00 -0.13 0.00 0.00 55.73 56.95 3k4m s ARG 571 Cb 0.00 -3.33 -0.10 0.00 -1.56 0.00 0.00 34.95 29.96 3k4m s ARG 571 CO 0.00 -0.02 1.54 0.08 -0.81 0.00 0.00 175.30 176.09 3k4m s VAL 572 N 0.32 2.78 0.25 7.11 1.01 -0.35 -1.75 120.40 129.77 3k4m s VAL 572 Ca 0.52 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 3k4m s VAL 572 Cb -0.28 -3.35 -0.14 0.00 0.00 0.00 0.00 36.38 32.62 3k4m s VAL 572 CO 0.32 0.04 1.22 0.49 0.00 0.00 0.00 175.10 177.17 3k4m n PHE 573 N 4.06 1.74 0.00 5.22 3.72 -1.01 -1.46 117.46 129.72 3k4m n PHE 573 Ca 0.13 0.58 0.00 0.00 -0.05 0.00 0.00 57.45 58.12 3k4m n PHE 573 Cb 0.39 -2.35 0.00 0.00 -0.94 0.00 0.00 39.48 36.58 3k4m n PHE 573 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k4m n GLY 574 N 1.63 2.96 3.56 1.37 0.00 -1.26 -5.00 105.19 108.46 3k4m n GLY 574 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3k4m n GLY 574 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4m s PHE 575 N -2.07 3.12 0.23 1.61 0.40 -0.53 -4.00 117.98 116.72 3k4m s PHE 575 Ca 0.00 -0.12 0.07 0.00 -0.60 0.00 0.00 56.93 56.28 3k4m s PHE 575 Cb 0.00 -1.98 0.20 0.00 0.51 0.00 0.00 43.02 41.75 3k4m s PHE 575 CO 0.00 0.09 1.52 0.87 0.70 0.00 0.00 175.22 178.40 3k4m h LYS 576 N 6.52 0.09 0.00 0.44 1.79 -0.51 -3.38 116.57 121.52 3k4m h LYS 576 Ca -0.35 -0.08 -0.06 0.00 -2.18 0.00 0.00 60.65 57.98 3k4m h LYS 576 Cb 1.18 0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 31.73 3k4m h LYS 576 CO 0.65 0.76 -0.60 0.27 -1.08 0.00 0.00 179.45 179.45 3k4m n ASN 577 N -3.74 0.85 -4.14 0.86 6.94 -1.26 -5.01 115.26 109.76 3k4m n ASN 577 Ca -0.02 -2.37 -0.33 0.00 -0.02 0.00 0.00 54.58 51.84 3k4m n ASN 577 Cb 0.69 -0.30 -0.15 0.00 -2.36 0.00 0.00 39.78 37.65 3k4m n ASN 577 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3k4m s LEU 578 N -0.78 2.51 0.06 -4.53 2.96 -1.26 -0.47 118.68 117.16 3k4m s LEU 578 Ca 0.20 -0.75 0.09 0.00 -0.22 0.00 0.00 54.13 53.45 3k4m s LEU 578 Cb 0.21 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 3k4m s LEU 578 CO -0.06 -0.04 -0.25 -0.36 -1.32 0.00 0.00 176.35 174.32 3k4m s PHE 579 N 1.29 2.20 -0.00 5.38 0.40 -0.57 -1.21 117.98 125.46 3k4m s PHE 579 Ca 0.03 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 55.99 3k4m s PHE 579 Cb -0.14 -1.29 -0.03 0.00 0.51 0.00 0.00 43.02 42.06 3k4m s PHE 579 CO -0.10 0.15 -0.09 -0.51 0.70 0.00 0.00 175.22 175.37 3k4m s LEU 580 N -1.38 3.04 0.06 -0.37 1.43 -0.70 -0.19 118.68 120.57 3k4m s LEU 580 Ca 0.11 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.09 3k4m s LEU 580 Cb -0.10 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 3k4m s LEU 580 CO 0.03 0.29 -0.16 -0.83 0.23 0.00 0.00 176.35 175.91 3k4m s GLY 581 N -1.30 0.93 0.00 -3.19 0.00 -0.72 -4.79 107.32 98.24 3k4m s GLY 581 Ca 0.16 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.91 3k4m s GLY 581 CO 0.06 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 172.82 3k4m n GLY 582 N 1.64 1.16 0.29 0.20 0.00 -1.26 -4.34 105.19 102.88 3k4m n GLY 582 Ca -0.19 -2.06 0.15 0.00 0.00 0.00 0.00 46.02 43.92 3k4m n GLY 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m h GLY 584 N 0.15 0.00 1.98 0.00 0.00 -1.88 -0.92 103.07 102.40 3k4m h GLY 584 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3k4m h GLY 584 CO 0.00 0.00 -0.07 3.43 0.00 0.00 0.00 176.54 179.90 3k4m h ASN 585 N 0.00 0.02 -2.85 0.19 2.35 -1.40 -1.03 115.58 112.87 3k4m h ASN 585 Ca 0.10 -0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.28 3k4m h ASN 585 Cb 0.40 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 3k4m h ASN 585 CO -0.00 0.10 0.94 -0.63 -1.65 0.00 0.00 177.43 176.19 3k4m s ILE 586 N -4.89 4.13 -2.21 2.81 1.01 -0.36 0.08 121.20 121.77 3k4m s ILE 586 Ca -0.05 1.37 0.24 0.00 0.00 0.00 0.00 60.65 62.22 3k4m s ILE 586 Cb 0.16 -3.88 0.15 0.00 0.01 0.00 0.00 42.46 38.91 3k4m s ILE 586 CO 0.69 -0.12 1.31 -0.81 0.00 0.00 0.00 174.94 176.00 3k4m n PRO 587 N 6.72 1.39 -2.85 2.79 -0.04 -1.26 -2.22 135.00 139.52 3k4m n PRO 587 Ca 0.15 -1.06 -0.20 0.00 -0.04 0.00 0.00 63.50 62.35 3k4m n PRO 587 Cb 0.44 -1.48 0.05 0.00 -0.04 0.00 0.00 33.50 32.47 3k4m n PRO 587 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3k4m s THR 588 N -2.34 2.54 -0.45 0.52 -4.23 -1.26 -4.78 115.64 105.63 3k4m s THR 588 Ca 0.24 -0.84 -0.20 0.00 -1.18 0.00 0.00 61.69 59.71 3k4m s THR 588 Cb 0.19 -2.70 0.03 0.00 1.34 0.00 0.00 72.50 71.37 3k4m s THR 588 CO 0.48 0.00 0.60 0.00 -0.54 0.00 0.00 174.62 175.17 3k4m s ALA 589 N -2.68 3.37 0.07 3.99 0.00 -1.26 -4.85 121.76 120.40 3k4m s ALA 589 Ca 0.59 -1.39 0.06 0.00 0.00 0.00 0.00 51.96 51.22 3k4m s ALA 589 Cb -0.08 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3k4m s ALA 589 CO 0.38 -1.81 -0.15 1.52 0.00 0.00 0.00 175.76 175.69 3k4m s TYR 590 N 2.66 1.33 -0.14 0.00 1.13 -1.26 -4.53 117.35 116.54 3k4m s TYR 590 Ca 0.19 -0.42 0.10 0.00 -1.41 0.00 0.00 57.07 55.53 3k4m s TYR 590 Cb -0.16 -0.76 -0.16 0.00 -1.10 0.00 0.00 41.96 39.78 3k4m s TYR 590 CO 0.16 0.08 0.01 0.41 -2.51 0.00 0.00 175.55 173.70 3k4m n GLY 591 N 1.43 -0.61 3.73 5.49 0.00 -1.26 -4.09 105.19 109.88 3k4m n GLY 591 Ca -0.20 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 3k4m n GLY 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m s ALA 592 N -2.34 1.59 0.06 4.61 0.00 -1.26 -4.34 121.76 120.08 3k4m s ALA 592 Ca -0.10 -0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 3k4m s ALA 592 Cb 0.04 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 3k4m s ALA 592 CO 0.54 -2.31 1.15 -0.80 0.00 0.00 0.00 175.76 174.34 3k4m s ASN 593 N -3.51 7.14 0.28 0.00 -0.87 -1.26 -4.93 114.94 111.80 3k4m s ASN 593 Ca 0.63 1.95 0.24 0.00 -1.57 0.00 0.00 52.86 54.12 3k4m s ASN 593 Cb -0.17 -2.58 0.47 0.00 -0.02 0.00 0.00 41.25 38.95 3k4m s ASN 593 CO 0.56 -0.42 1.56 1.55 -2.57 0.00 0.00 177.10 177.79 3k4m h PRO 594 N 6.72 0.00 -0.80 -0.60 0.13 -1.91 -3.40 132.00 132.13 3k4m h PRO 594 Ca -0.42 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.73 3k4m h PRO 594 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 3k4m h PRO 594 CO 0.80 0.00 0.53 1.15 -0.23 0.00 0.00 178.00 180.24 3k4m h THR 595 N 0.00 1.19 -0.68 1.56 2.02 -1.91 -1.85 112.91 113.24 3k4m h THR 595 Ca 0.00 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 66.84 3k4m h THR 595 Cb 0.87 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 3k4m h THR 595 CO 0.00 0.20 0.42 0.25 0.37 0.00 0.00 175.52 176.76 3k4m h LEU 596 N 1.07 0.69 -0.83 2.58 5.85 -1.87 -0.41 115.31 122.39 3k4m h LEU 596 Ca 0.30 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 3k4m h LEU 596 Cb -0.09 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3k4m h LEU 596 CO -0.08 0.47 0.34 0.74 -0.34 0.00 0.00 178.44 179.58 3k4m h THR 597 N 0.82 1.26 -0.38 1.05 2.02 -1.66 -1.33 112.91 114.69 3k4m h THR 597 Ca 0.27 -0.80 -0.06 0.00 0.77 0.00 0.00 66.41 66.59 3k4m h THR 597 Cb 0.03 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 3k4m h THR 597 CO -0.11 0.33 -0.03 0.00 0.37 0.00 0.00 175.52 176.08 3k4m h ALA 598 N 1.19 1.24 -0.20 6.16 0.00 -0.56 -2.19 119.26 124.90 3k4m h ALA 598 Ca 0.27 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 3k4m h ALA 598 Cb 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3k4m h ALA 598 CO -0.03 0.51 -0.57 1.98 0.00 0.00 0.00 179.25 181.14 3k4m h MET 599 N 0.59 0.63 -0.35 0.00 -1.53 -0.89 -0.09 114.93 113.28 3k4m h MET 599 Ca 0.12 -0.41 -0.04 0.00 -3.44 0.00 0.00 59.70 55.93 3k4m h MET 599 Cb 0.42 0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.50 3k4m h MET 599 CO 0.02 1.03 0.08 0.77 0.14 0.00 0.00 176.91 178.94 3k4m h SER 600 N 0.48 0.54 -0.97 1.39 0.02 -0.99 0.44 113.55 114.47 3k4m h SER 600 Ca 0.00 -0.24 0.05 0.00 -0.84 0.00 0.00 61.79 60.76 3k4m h SER 600 Cb 1.14 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.47 3k4m h SER 600 CO 0.11 0.64 0.63 -0.07 -1.14 0.00 0.00 176.83 177.01 3k4m h LEU 601 N 0.41 1.03 -0.65 5.07 3.38 -1.36 -2.18 115.31 121.01 3k4m h LEU 601 Ca 0.11 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3k4m h LEU 601 Cb 0.32 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3k4m h LEU 601 CO 0.00 0.68 0.09 0.00 0.09 0.00 0.00 178.44 179.31 3k4m h ALA 602 N 1.45 0.87 -0.12 1.53 0.00 0.10 -1.35 119.26 121.74 3k4m h ALA 602 Ca 0.40 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3k4m h ALA 602 Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3k4m h ALA 602 CO -0.14 0.64 -0.04 0.82 0.00 0.00 0.00 179.25 180.54 3k4m h ILE 603 N 1.01 0.87 -0.83 0.00 2.04 0.27 -1.95 117.51 118.92 3k4m h ILE 603 Ca 0.20 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.10 3k4m h ILE 603 Cb 0.46 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 3k4m h ILE 603 CO 0.02 0.00 0.52 0.50 0.00 0.00 0.00 178.15 179.19 3k4m h LYS 604 N -0.01 0.96 -0.97 2.37 3.64 -1.28 -2.52 116.57 118.76 3k4m h LYS 604 Ca 0.06 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3k4m h LYS 604 Cb 0.10 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 31.65 3k4m h LYS 604 CO -0.13 0.64 0.64 1.03 -2.27 0.00 0.00 179.45 179.35 3k4m h SER 605 N 0.99 1.07 0.41 4.20 0.87 -0.85 -2.41 113.55 117.83 3k4m h SER 605 Ca 0.35 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.84 3k4m h SER 605 Cb 0.08 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3k4m h SER 605 CO -0.14 0.74 -0.27 0.00 -0.53 0.00 0.00 176.83 176.64 3k4m h GLU 607 N 0.00 0.98 0.30 0.00 5.08 -1.17 -1.96 114.58 117.82 3k4m h GLU 607 Ca -0.00 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 3k4m h GLU 607 Cb 0.54 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3k4m h GLU 607 CO 0.03 1.03 -0.15 -0.92 -1.00 0.00 0.00 179.01 178.01 3k4m h TYR 608 N 0.85 -0.38 -0.86 4.33 5.03 -1.25 -2.59 116.97 122.10 3k4m h TYR 608 Ca 0.14 -0.01 0.22 0.00 2.58 0.00 0.00 58.73 61.66 3k4m h TYR 608 Cb 0.64 0.12 -0.13 0.00 1.55 0.00 0.00 36.73 38.91 3k4m h TYR 608 CO 0.05 -0.20 0.25 0.82 -1.32 0.00 0.00 178.16 177.75 3k4m h ILE 609 N -0.46 0.37 -0.05 1.81 2.04 -1.26 -1.80 117.51 118.16 3k4m h ILE 609 Ca -0.04 -0.08 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 3k4m h ILE 609 Cb 0.35 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3k4m h ILE 609 CO 0.07 0.04 -0.55 0.11 0.00 0.00 0.00 178.15 177.83 3k4m h LYS 610 N 0.24 0.14 0.00 2.37 1.57 -1.09 0.82 116.57 120.63 3k4m h LYS 610 Ca 0.53 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 3k4m h LYS 610 Cb 1.04 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.36 3k4m h LYS 610 CO -0.62 0.65 -0.27 1.04 -0.57 0.00 0.00 179.45 179.69 3k4m n GLN 611 N -3.91 0.11 0.00 3.15 6.02 -0.75 -4.34 117.38 117.67 3k4m n GLN 611 Ca -0.02 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3k4m n GLN 611 Cb 0.57 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.23 3k4m n GLN 611 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3k4m n ASN 612 N -1.78 0.61 -3.86 1.08 3.02 -0.72 -5.00 115.26 108.60 3k4m n ASN 612 Ca 0.06 -0.80 -0.15 0.00 -0.03 0.00 0.00 54.58 53.66 3k4m n ASN 612 Cb 0.38 0.41 -0.15 0.00 -0.61 0.00 0.00 39.78 39.81 3k4m n ASN 612 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3k4m s PHE 613 N -0.44 0.19 -0.23 3.10 0.08 0.20 -5.06 117.98 115.82 3k4m s PHE 613 Ca 0.00 -0.00 -0.09 0.00 0.12 0.00 0.00 56.93 56.96 3k4m s PHE 613 Cb 0.00 -0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.21 3k4m s PHE 613 CO 0.01 -0.05 0.11 0.99 -0.10 0.00 0.00 175.22 176.18 3k4m s THR 614 N 0.38 4.88 0.27 0.64 2.01 -1.26 -4.61 115.64 117.94 3k4m s THR 614 Ca -0.03 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 3k4m s THR 614 Cb -0.06 -3.26 -0.13 0.00 0.01 0.00 0.00 72.50 69.06 3k4m s THR 614 CO -0.01 0.36 1.27 -2.65 -0.69 0.00 0.00 174.62 172.91 3k4m n PRO 615 N 4.35 1.84 -0.94 4.92 -0.02 -1.26 -4.97 135.00 138.91 3k4m n PRO 615 Ca -0.16 0.65 -0.33 0.00 -2.02 0.00 0.00 63.50 61.64 3k4m n PRO 615 Cb 0.52 -2.21 0.13 0.00 -0.02 0.00 0.00 33.50 31.92 3k4m n PRO 615 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3k4m n SER 616 N 1.56 -0.19 -4.79 2.55 3.41 -1.26 -4.95 113.62 109.95 3k4m n SER 616 Ca 0.10 0.48 -0.37 0.00 -0.26 0.00 0.00 58.87 58.81 3k4m n SER 616 Cb 0.32 -1.39 -0.06 0.00 -0.26 0.00 0.00 64.21 62.82 3k4m n SER 616 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3k4m s PRO 617 N -3.96 4.53 -0.72 4.33 0.04 -1.26 -4.87 135.00 133.09 3k4m s PRO 617 Ca 0.67 1.20 -0.26 0.00 0.04 0.00 0.00 61.00 62.65 3k4m s PRO 617 Cb -0.26 -2.95 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 3k4m s PRO 617 CO 0.58 0.39 2.01 0.12 0.04 0.00 0.00 177.00 180.13 3k4m s PHE 618 N -1.46 1.59 0.00 0.56 2.19 -1.26 -5.13 117.98 114.47 3k4m s PHE 618 Ca 0.45 0.94 0.00 0.00 0.33 0.00 0.00 56.93 58.65 3k4m s PHE 618 Cb -0.20 -3.95 0.00 0.00 -1.31 0.00 0.00 43.02 37.56 3k4m s PHE 618 CO 0.24 -2.06 0.26 -2.37 1.83 0.00 0.00 175.22 173.13