#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 2.74 0.01 5.64 1.51 -1.02 -5.01 117.35 121.22 3k4m s TYR 47 Ca 0.00 -0.20 -0.26 0.00 -1.01 0.00 0.00 57.07 55.60 3k4m s TYR 47 Cb 0.00 -1.24 -0.16 0.00 -0.11 0.00 0.00 41.96 40.46 3k4m s TYR 47 CO 0.00 0.59 1.20 -0.44 -1.11 0.00 0.00 175.55 175.80 3k4m h ASP 48 N 2.02 -0.57 -3.31 2.29 5.19 -1.53 -3.03 116.42 117.48 3k4m h ASP 48 Ca -0.45 -0.07 -0.58 0.00 -0.62 0.00 0.00 57.03 55.31 3k4m h ASP 48 Cb 1.24 0.15 -0.34 0.00 0.18 0.00 0.00 39.33 40.56 3k4m h ASP 48 CO 0.60 -0.21 -0.83 -0.69 -3.12 0.00 0.00 179.24 174.98 3k4m s VAL 49 N -4.76 1.46 -0.10 -1.35 1.01 -0.82 -1.50 120.40 114.34 3k4m s VAL 49 Ca -0.14 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 3k4m s VAL 49 Cb 0.02 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3k4m s VAL 49 CO 0.50 0.43 0.01 0.68 0.00 0.00 0.00 175.10 176.72 3k4m s VAL 50 N 0.84 4.41 -0.16 2.92 -7.23 -0.23 -0.88 120.40 120.06 3k4m s VAL 50 Ca -0.10 -0.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.88 3k4m s VAL 50 Cb -0.15 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 33.93 3k4m s VAL 50 CO 0.01 0.59 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.58 3k4m s ILE 51 N -0.73 1.87 -0.39 -0.62 1.01 0.34 -0.63 121.20 122.05 3k4m s ILE 51 Ca 0.12 -0.83 -0.26 0.00 0.00 0.00 0.00 60.65 59.68 3k4m s ILE 51 Cb -0.12 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.66 3k4m s ILE 51 CO 0.02 0.51 0.92 -0.69 0.00 0.00 0.00 174.94 175.71 3k4m s VAL 52 N 1.28 4.56 0.00 2.92 1.01 0.18 -0.92 120.40 129.43 3k4m s VAL 52 Ca 0.03 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.08 3k4m s VAL 52 Cb -0.13 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 31.89 3k4m s VAL 52 CO -0.10 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 174.99 3k4m n GLY 53 N 4.53 2.18 1.87 4.51 0.00 0.20 -0.89 105.19 117.59 3k4m n GLY 53 Ca 0.07 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 3k4m n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k4m n SER 54 N 0.00 4.04 -2.61 1.61 3.41 -1.26 -4.25 113.62 114.56 3k4m n SER 54 Ca 0.00 -3.43 0.00 0.00 -0.26 0.00 0.00 58.87 55.18 3k4m n SER 54 Cb 0.00 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 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 -0.66 -1.66 0.14 5.00 0.00 -1.26 -2.47 105.19 104.28 3k4m n GLY 55 Ca 0.45 -1.54 0.02 0.00 0.00 0.00 0.00 46.02 44.94 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 0.02 1.61 0.13 -1.93 0.51 132.00 132.34 3k4m h PRO 56 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3k4m h PRO 56 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3k4m h PRO 56 CO 0.00 0.55 -0.01 0.82 -0.23 0.00 0.00 178.00 179.14 3k4m h ILE 57 N 0.00 1.49 -0.98 -3.56 1.08 -1.92 -2.22 117.51 111.40 3k4m h ILE 57 Ca -0.01 -1.87 0.25 0.00 -0.39 0.00 0.00 64.86 62.84 3k4m h ILE 57 Cb 1.23 2.70 -0.18 0.00 -3.07 0.00 0.00 36.82 37.50 3k4m h ILE 57 CO 0.07 0.46 -0.03 1.23 -0.69 0.00 0.00 178.15 179.20 3k4m h GLY 58 N -0.88 1.12 2.00 5.37 0.00 -1.71 -0.82 103.07 108.16 3k4m h GLY 58 Ca -0.00 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3k4m h GLY 58 CO 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 176.54 176.07 3k4m h THR 60 N 0.00 1.35 -0.66 0.00 2.02 -0.52 0.02 112.91 115.13 3k4m h THR 60 Ca 0.00 -1.17 0.08 0.00 0.77 0.00 0.00 66.41 66.09 3k4m h THR 60 Cb 0.69 1.97 -0.07 0.00 -1.74 0.00 0.00 68.15 69.00 3k4m h THR 60 CO 0.00 0.33 0.32 1.88 0.37 0.00 0.00 175.52 178.41 3k4m h TYR 61 N -0.23 0.57 -0.48 3.16 0.05 -1.41 -2.59 116.97 116.04 3k4m h TYR 61 Ca 0.01 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.73 3k4m h TYR 61 Cb 0.55 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 3k4m h TYR 61 CO 0.08 0.22 -0.07 0.00 -1.05 0.00 0.00 178.16 177.34 3k4m h ALA 62 N 1.39 0.98 -0.07 3.88 0.00 -1.12 -1.23 119.26 123.08 3k4m h ALA 62 Ca 0.32 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 3k4m h ALA 62 Cb 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3k4m h ALA 62 CO -0.25 0.61 -0.75 -0.09 0.00 0.00 0.00 179.25 178.78 3k4m h ARG 63 N 0.77 0.40 0.01 0.00 2.43 -0.84 -0.20 114.38 116.95 3k4m h ARG 63 Ca 0.14 -0.33 -0.05 0.00 -0.81 0.00 0.00 59.98 58.92 3k4m h ARG 63 Cb 0.56 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3k4m h ARG 63 CO 0.03 0.98 -0.21 0.93 -1.51 0.00 0.00 179.97 180.19 3k4m h GLU 64 N 0.27 0.12 0.04 0.20 4.39 -1.37 -2.93 114.58 115.29 3k4m h GLU 64 Ca -0.03 -0.14 -0.20 0.00 0.34 0.00 0.00 59.36 59.32 3k4m h GLU 64 Cb 1.32 0.05 0.02 0.00 -0.10 0.00 0.00 28.75 30.04 3k4m h GLU 64 CO 0.13 0.95 -0.80 -0.07 -1.16 0.00 0.00 179.01 178.06 3k4m h LEU 65 N -0.65 0.64 -1.05 1.33 3.38 -1.30 -1.82 115.31 115.83 3k4m h LEU 65 Ca -0.03 -0.79 0.05 0.00 0.09 0.00 0.00 57.88 57.19 3k4m h LEU 65 Cb 1.03 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 3k4m h LEU 65 CO 0.04 1.35 0.64 0.58 0.09 0.00 0.00 178.44 181.14 3k4m h VAL 66 N -0.01 1.13 0.00 1.22 2.07 -1.19 -1.40 116.25 118.07 3k4m h VAL 66 Ca -0.11 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3k4m h VAL 66 Cb 1.51 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3k4m h VAL 66 CO 0.15 0.22 -0.03 1.23 0.02 0.00 0.00 177.57 179.17 3k4m h GLY 67 N 1.19 0.00 -2.66 2.17 0.00 -1.43 -2.51 103.07 99.84 3k4m h GLY 67 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3k4m h GLY 67 CO -0.14 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.40 3k4m n ALA 68 N -2.11 2.63 -0.49 3.60 0.00 -0.60 -4.94 120.51 118.60 3k4m n ALA 68 Ca -0.00 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.14 3k4m n ALA 68 Cb 0.27 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 1.41 0.74 3.77 0.00 0.00 -0.94 -4.91 105.19 105.27 3k4m n GLY 69 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.92 3.17 -0.39 1.61 1.51 -0.76 -4.69 117.35 114.88 3k4m s TYR 70 Ca 0.00 1.59 -0.25 0.00 -1.01 0.00 0.00 57.07 57.40 3k4m s TYR 70 Cb 0.00 -3.33 0.02 0.00 -0.11 0.00 0.00 41.96 38.54 3k4m s TYR 70 CO 0.00 -1.08 0.89 0.21 -1.11 0.00 0.00 175.55 174.46 3k4m s LYS 71 N -2.23 3.74 -0.05 -0.62 2.20 -1.26 -4.21 119.74 117.30 3k4m s LYS 71 Ca 0.56 0.40 0.06 0.00 -0.36 0.00 0.00 55.97 56.63 3k4m s LYS 71 Cb -0.29 -3.84 -0.01 0.00 -1.51 0.00 0.00 37.83 32.18 3k4m s LYS 71 CO 0.37 -1.00 -0.25 0.08 -0.36 0.00 0.00 175.35 174.19 3k4m s VAL 72 N 3.46 2.01 -0.02 4.02 1.01 -0.72 -1.30 120.40 128.86 3k4m s VAL 72 Ca 0.36 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 61.35 3k4m s VAL 72 Cb -0.12 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 3k4m s VAL 72 CO 0.20 0.56 -0.20 0.00 0.00 0.00 0.00 175.10 175.67 3k4m s ALA 73 N -0.19 2.45 -0.05 5.51 0.00 -0.06 -1.09 121.76 128.33 3k4m s ALA 73 Ca -0.02 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.90 3k4m s ALA 73 Cb -0.13 -0.76 -0.00 0.00 0.00 0.00 0.00 23.12 22.23 3k4m s ALA 73 CO 0.03 0.55 -0.19 1.41 0.00 0.00 0.00 175.76 177.56 3k4m s MET 74 N -0.83 1.98 -0.03 0.00 1.75 -0.60 -0.50 119.30 121.07 3k4m s MET 74 Ca 0.11 -0.67 0.06 0.00 -1.25 0.00 0.00 55.69 53.94 3k4m s MET 74 Cb -0.10 -1.70 -0.02 0.00 2.84 0.00 0.00 34.83 35.85 3k4m s MET 74 CO 0.01 0.26 -0.20 -0.06 -0.65 0.00 0.00 175.02 174.38 3k4m s PHE 75 N 0.03 2.52 -0.03 4.11 0.08 -0.10 -0.85 117.98 123.74 3k4m s PHE 75 Ca -0.05 -0.29 0.01 0.00 0.12 0.00 0.00 56.93 56.72 3k4m s PHE 75 Cb -0.12 -1.56 0.02 0.00 -0.57 0.00 0.00 43.02 40.79 3k4m s PHE 75 CO 0.03 0.09 -0.03 0.34 -0.10 0.00 0.00 175.22 175.55 3k4m s ASP 76 N -0.72 0.69 0.54 1.36 -1.08 -0.39 0.61 116.67 117.68 3k4m s ASP 76 Ca 0.11 -0.09 0.32 0.00 -0.52 0.00 0.00 52.55 52.37 3k4m s ASP 76 Cb -0.10 -0.33 1.47 0.00 -1.46 0.00 0.00 42.92 42.50 3k4m s ASP 76 CO 0.00 -0.06 2.04 -0.29 0.52 0.00 0.00 175.17 177.38 3k4m h ILE 77 N 6.09 0.26 -6.35 4.11 2.10 -1.70 1.02 117.51 123.03 3k4m h ILE 77 Ca -0.39 -0.56 -0.49 0.00 1.08 0.00 0.00 64.86 64.49 3k4m h ILE 77 Cb 1.15 1.44 0.01 0.00 -1.09 0.00 0.00 36.82 38.33 3k4m h ILE 77 CO 0.48 0.07 -0.11 0.61 -1.08 0.00 0.00 178.15 178.12 3k4m n GLY 78 N -0.31 2.15 3.65 8.18 0.00 -1.26 -3.73 105.19 113.87 3k4m n GLY 78 Ca -0.01 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 3k4m n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4m s GLU 79 N -4.48 2.05 -0.09 1.61 2.02 -1.26 -1.81 118.70 116.75 3k4m s GLU 79 Ca 0.52 -2.27 -0.23 0.00 0.02 0.00 0.00 54.97 53.01 3k4m s GLU 79 Cb -0.04 -1.18 -0.03 0.00 0.10 0.00 0.00 34.13 32.97 3k4m s GLU 79 CO 0.33 -0.37 0.68 0.42 0.02 0.00 0.00 175.26 176.35 3k4m s ILE 80 N -3.00 5.05 -0.38 -1.63 1.01 -1.26 -1.30 121.20 119.68 3k4m s ILE 80 Ca 0.16 1.39 0.04 0.00 0.00 0.00 0.00 60.65 62.25 3k4m s ILE 80 Cb 0.03 -4.02 0.31 0.00 0.01 0.00 0.00 42.46 38.79 3k4m s ILE 80 CO 0.09 0.24 1.26 -0.90 0.00 0.00 0.00 174.94 175.62 3k4m n ASP 81 N 3.94 -1.70 -0.98 3.58 5.75 -1.26 -4.99 116.55 120.89 3k4m n ASP 81 Ca -0.01 -2.53 -0.00 0.00 -0.01 0.00 0.00 54.79 52.23 3k4m n ASP 81 Cb 0.51 1.40 -0.01 0.00 -1.03 0.00 0.00 41.12 41.99 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 0.64 0.12 -0.05 -1.12 7.64 -1.26 -5.02 113.62 114.56 3k4m n SER 82 Ca -0.00 -1.84 0.00 0.00 1.01 0.00 0.00 58.87 58.04 3k4m n SER 82 Cb 0.73 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.18 -1.04 0.20 0.23 0.00 -1.26 -4.25 105.19 99.25 3k4m n GLY 83 Ca -0.05 -1.21 0.08 0.00 0.00 0.00 0.00 46.02 44.85 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 -8.46 0.99 3.38 -2.03 -3.39 115.31 105.81 3k4m h LEU 84 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 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 0.25 1.10 -0.54 0.09 0.00 0.00 178.44 179.34 3k4m s LYS 85 N -3.29 3.18 0.10 1.13 1.02 -1.26 -4.99 119.74 115.64 3k4m s LYS 85 Ca 0.04 0.10 -0.31 0.00 0.02 0.00 0.00 55.97 55.81 3k4m s LYS 85 Cb 0.08 -4.17 -0.08 0.00 -0.52 0.00 0.00 37.83 33.13 3k4m s LYS 85 CO 0.68 -2.12 1.53 0.42 -0.92 0.00 0.00 175.35 174.94 3k4m s ILE 86 N 6.16 3.07 -1.01 2.17 1.01 -1.26 -2.38 121.20 128.96 3k4m s ILE 86 Ca 0.44 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.76 3k4m s ILE 86 Cb -0.09 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.95 3k4m s ILE 86 CO 0.19 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.77 3k4m n GLY 87 N 3.75 0.48 3.95 6.18 0.00 -1.26 -4.02 105.19 114.28 3k4m n GLY 87 Ca 0.14 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 3k4m n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m s ALA 88 N -2.47 3.30 -0.08 4.61 0.00 -1.00 -2.41 121.76 123.70 3k4m s ALA 88 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 3k4m s ALA 88 Cb 0.00 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 3k4m s ALA 88 CO 0.00 -1.33 1.28 -1.58 0.00 0.00 0.00 175.76 174.13 3k4m s HIS 89 N -3.20 2.95 0.30 0.00 2.46 -1.26 -4.60 115.29 111.93 3k4m s HIS 89 Ca 0.62 1.01 0.37 0.00 0.47 0.00 0.00 55.06 57.54 3k4m s HIS 89 Cb -0.09 -3.52 1.83 0.00 -0.13 0.00 0.00 32.58 30.67 3k4m s HIS 89 CO 0.44 -1.80 2.12 0.87 -2.47 0.00 0.00 174.74 173.90 3k4m h LYS 90 N 7.88 0.00 -0.57 2.88 1.57 -1.00 -2.05 116.57 125.28 3k4m h LYS 90 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3k4m h LYS 90 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3k4m h LYS 90 CO 0.92 0.00 0.00 0.36 -0.57 0.00 0.00 179.45 180.16 3k4m n LYS 91 N -2.94 1.87 -1.08 3.15 2.85 -1.26 -4.14 118.16 116.61 3k4m n LYS 91 Ca -0.01 -0.88 -0.25 0.00 -1.05 0.00 0.00 58.31 56.12 3k4m n LYS 91 Cb 0.16 -1.48 0.06 0.00 -0.65 0.00 0.00 35.03 33.13 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 0.17 6.96 -4.52 -5.58 3.02 -0.77 -4.45 115.26 110.10 3k4m n ASN 92 Ca 0.08 -3.38 -0.31 0.00 -0.03 0.00 0.00 54.58 50.94 3k4m n ASN 92 Cb 0.38 -1.02 -0.11 0.00 -0.61 0.00 0.00 39.78 38.41 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 -3.39 3.16 0.39 3.41 -4.23 -1.26 -5.01 115.64 108.71 3k4m s THR 93 Ca 0.46 -1.06 0.12 0.00 -1.18 0.00 0.00 61.69 60.02 3k4m s THR 93 Cb 0.36 -2.37 0.33 0.00 1.34 0.00 0.00 72.50 72.16 3k4m s THR 93 CO -0.01 0.32 1.92 0.58 -0.54 0.00 0.00 174.62 176.89 3k4m h VAL 94 N 3.78 0.86 -0.28 2.29 2.07 -1.97 -2.10 116.25 120.90 3k4m h VAL 94 Ca -0.48 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3k4m h VAL 94 Cb 1.16 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3k4m h VAL 94 CO 0.50 0.10 0.10 -0.33 0.02 0.00 0.00 177.57 177.97 3k4m h GLU 95 N 0.56 0.42 -0.39 1.57 4.39 -1.95 -2.22 114.58 116.96 3k4m h GLU 95 Ca 0.37 -0.08 -0.15 0.00 0.34 0.00 0.00 59.36 59.85 3k4m h GLU 95 Cb 0.67 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 3k4m h GLU 95 CO -0.14 0.46 -0.34 1.88 -1.16 0.00 0.00 179.01 179.71 3k4m h TYR 96 N 0.30 1.06 0.00 4.33 0.05 -1.73 -1.65 116.97 119.32 3k4m h TYR 96 Ca 0.09 -0.30 0.00 0.00 0.05 0.00 0.00 58.73 58.58 3k4m h TYR 96 Cb 0.20 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.71 3k4m h TYR 96 CO -0.00 1.10 0.00 1.96 -1.05 0.00 0.00 178.16 180.17 3k4m h GLN 97 N 0.75 0.00 0.00 4.88 4.20 -1.24 0.55 115.11 124.24 3k4m h GLN 97 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3k4m h GLN 97 Cb 0.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.69 3k4m h GLN 97 CO 0.08 0.00 -0.82 1.63 -0.67 0.00 0.00 178.83 179.06 3k4m n LYS 98 N -2.59 0.12 -2.90 1.46 5.02 -0.85 -4.27 118.16 114.16 3k4m n LYS 98 Ca 0.01 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.18 3k4m n LYS 98 Cb 0.25 -1.54 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.70 0.38 -0.22 4.39 3.02 0.07 -4.99 115.26 116.21 3k4m n ASN 99 Ca 0.04 -2.94 0.12 0.00 -0.03 0.00 0.00 54.58 51.77 3k4m n ASN 99 Cb 0.38 -0.11 0.42 0.00 -0.61 0.00 0.00 39.78 39.85 3k4m n ASN 99 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3k4m h ILE 100 N 2.04 0.85 0.00 2.41 -0.00 -0.19 -1.37 117.51 121.26 3k4m h ILE 100 Ca -0.03 -0.21 0.00 0.00 -0.00 0.00 0.00 64.86 64.62 3k4m h ILE 100 Cb 1.09 0.19 0.00 0.00 -0.00 0.00 0.00 36.82 38.11 3k4m h ILE 100 CO 0.40 0.11 0.00 0.44 -0.00 0.00 0.00 178.15 179.10 3k4m h ASP 101 N 0.60 0.00 0.64 2.19 3.32 -1.86 -1.50 116.42 119.81 3k4m h ASP 101 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3k4m h ASP 101 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3k4m h ASP 101 CO -0.16 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.65 3k4m n LYS 102 N -2.56 0.19 0.24 3.56 4.76 -0.52 -3.39 118.16 120.44 3k4m n LYS 102 Ca 0.02 0.45 0.15 0.00 -2.87 0.00 0.00 58.31 56.06 3k4m n LYS 102 Cb 0.26 -1.88 0.55 0.00 -1.84 0.00 0.00 35.03 32.12 3k4m n LYS 102 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3k4m h PHE 103 N 0.00 0.00 -0.39 2.13 3.57 -1.41 -2.83 116.94 118.01 3k4m h PHE 103 Ca 0.00 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 3k4m h PHE 103 Cb 0.32 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3k4m h PHE 103 CO 0.00 0.00 0.26 -0.24 -2.23 0.00 0.00 178.31 176.10 3k4m h VAL 104 N 0.00 1.06 -0.03 1.41 3.04 -1.76 0.16 116.25 120.12 3k4m h VAL 104 Ca 0.00 -0.16 -0.17 0.00 -1.01 0.00 0.00 66.70 65.36 3k4m h VAL 104 Cb 0.59 0.55 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 3k4m h VAL 104 CO 0.00 0.09 -0.73 0.78 -1.01 0.00 0.00 177.57 176.70 3k4m h ASN 105 N 0.47 0.25 0.46 3.17 4.21 -1.76 -1.42 115.58 120.96 3k4m h ASN 105 Ca 0.15 -0.17 -0.02 0.00 1.21 0.00 0.00 56.30 57.48 3k4m h ASN 105 Cb 0.03 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.16 3k4m h ASN 105 CO -0.04 0.89 -0.28 0.58 -1.29 0.00 0.00 177.43 177.30 3k4m h VAL 106 N 0.14 0.43 -0.28 2.81 2.07 -1.11 -0.70 116.25 119.61 3k4m h VAL 106 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3k4m h VAL 106 Cb 1.29 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 3k4m h VAL 106 CO 0.11 0.00 -0.48 0.40 0.02 0.00 0.00 177.57 177.62 3k4m h ILE 107 N -0.70 0.00 -0.20 4.57 2.04 -1.27 -1.63 117.51 120.32 3k4m h ILE 107 Ca -0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.87 3k4m h ILE 107 Cb 0.57 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3k4m h ILE 107 CO 0.06 0.00 0.15 1.56 0.00 0.00 0.00 178.15 179.92 3k4m h GLN 108 N -0.40 0.00 0.00 2.37 4.20 -1.19 -0.24 115.11 119.86 3k4m h GLN 108 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3k4m h GLN 108 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3k4m h GLN 108 CO -0.47 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.10 3k4m n GLY 109 N -1.55 -1.20 0.76 3.46 0.00 -0.28 -3.28 105.19 103.09 3k4m n GLY 109 Ca 0.02 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.01 3k4m n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4m n GLN 110 N -1.47 0.81 -3.47 1.61 10.64 -0.13 -4.95 117.38 120.41 3k4m n GLN 110 Ca 0.06 -2.42 -0.43 0.00 -1.83 0.00 0.00 57.00 52.38 3k4m n GLN 110 Cb 0.24 -0.93 -0.08 0.00 -0.86 0.00 0.00 30.24 28.60 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 -1.69 5.49 -0.26 2.61 1.43 -1.00 -3.92 118.68 121.34 3k4m s LEU 111 Ca 0.30 -1.46 -0.10 0.00 -1.03 0.00 0.00 54.13 51.83 3k4m s LEU 111 Cb 0.30 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 3k4m s LEU 111 CO -0.07 -0.62 0.15 -0.04 0.23 0.00 0.00 176.35 176.00 3k4m s MET 112 N 1.54 3.91 0.26 1.70 -1.94 0.69 -4.81 119.30 120.65 3k4m s MET 112 Ca 0.04 -0.34 -0.30 0.00 -1.71 0.00 0.00 55.69 53.37 3k4m s MET 112 Cb -0.24 -3.55 -0.14 0.00 2.01 0.00 0.00 34.83 32.91 3k4m s MET 112 CO 0.04 -0.12 1.22 0.43 -0.01 0.00 0.00 175.02 176.59 3k4m n SER 113 N 4.83 2.06 0.05 3.03 7.64 -1.26 0.14 113.62 130.10 3k4m n SER 113 Ca -0.15 1.16 -0.20 0.00 1.01 0.00 0.00 58.87 60.69 3k4m n SER 113 Cb 0.52 -1.36 -0.11 0.00 -1.01 0.00 0.00 64.21 62.25 3k4m n SER 113 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3k4m h VAL 114 N 2.58 1.31 -1.72 0.44 2.07 -1.26 -3.45 116.25 116.23 3k4m h VAL 114 Ca -0.43 -2.28 -0.09 0.00 0.82 0.00 0.00 66.70 64.72 3k4m h VAL 114 Cb 1.31 2.53 -0.27 0.00 -1.52 0.00 0.00 31.29 33.34 3k4m h VAL 114 CO 0.68 0.69 -0.42 -0.55 0.02 0.00 0.00 177.57 177.99 3k4m s SER 115 N -7.22 -0.18 -0.19 0.57 0.15 -1.26 -4.67 113.70 100.89 3k4m s SER 115 Ca -0.10 0.44 -0.02 0.00 0.70 0.00 0.00 55.95 56.96 3k4m s SER 115 Cb 0.06 1.39 -0.00 0.00 -1.71 0.00 0.00 66.02 65.75 3k4m s SER 115 CO 0.90 -0.29 -0.09 -0.69 1.20 0.00 0.00 173.24 174.28 3k4m s VAL 116 N 2.63 3.08 0.90 4.45 1.01 -1.26 -4.74 120.40 126.46 3k4m s VAL 116 Ca 0.14 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 3k4m s VAL 116 Cb -0.15 -2.37 0.13 0.00 0.00 0.00 0.00 36.38 33.99 3k4m s VAL 116 CO -0.17 0.46 1.10 -2.16 0.00 0.00 0.00 175.10 174.34 3k4m s PRO 117 N 1.21 1.25 0.36 2.72 0.04 -1.26 -0.58 135.00 138.73 3k4m s PRO 117 Ca 0.02 0.60 -0.27 0.00 0.04 0.00 0.00 61.00 61.40 3k4m s PRO 117 Cb -0.14 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 3k4m s PRO 117 CO -0.03 -2.19 1.26 0.28 0.04 0.00 0.00 177.00 176.35 3k4m n VAL 118 N -3.82 2.15 -3.77 -0.36 0.31 -1.25 -4.62 118.33 106.98 3k4m n VAL 118 Ca 0.06 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.54 3k4m n VAL 118 Cb 0.57 -1.52 -0.08 0.00 -0.91 0.00 0.00 33.84 31.89 3k4m n VAL 118 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3k4m s ASN 119 N -0.40 6.12 -0.11 4.52 3.84 -1.26 -4.96 114.94 122.69 3k4m s ASN 119 Ca 0.57 0.20 0.16 0.00 0.21 0.00 0.00 52.86 54.00 3k4m s ASN 119 Cb -0.56 -2.07 0.27 0.00 -0.55 0.00 0.00 41.25 38.34 3k4m s ASN 119 CO 0.61 0.17 1.15 0.35 -2.79 0.00 0.00 177.10 176.60 3k4m n THR 120 N 3.55 1.78 -2.05 -5.21 -2.24 -1.26 -4.85 114.28 104.00 3k4m n THR 120 Ca -0.16 -2.02 -0.41 0.00 -2.27 0.00 0.00 64.05 59.18 3k4m n THR 120 Cb 0.52 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.56 4.40 -0.24 3.22 1.43 -1.26 -4.97 118.68 118.69 3k4m s LEU 121 Ca 0.28 2.66 -0.19 0.00 -1.03 0.00 0.00 54.13 55.85 3k4m s LEU 121 Cb 0.24 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 3k4m s LEU 121 CO 0.03 -0.65 0.58 -0.69 0.23 0.00 0.00 176.35 175.86 3k4m s VAL 122 N -0.36 5.03 -0.46 -1.59 1.01 -1.26 -5.01 120.40 117.77 3k4m s VAL 122 Ca 0.56 1.05 -0.06 0.00 0.00 0.00 0.00 61.98 63.53 3k4m s VAL 122 Cb -0.41 -3.89 0.12 0.00 0.00 0.00 0.00 36.38 32.20 3k4m s VAL 122 CO 0.46 0.08 0.29 -0.69 0.00 0.00 0.00 175.10 175.25 3k4m s VAL 123 N 2.20 3.79 -0.22 2.92 1.01 -1.26 -4.95 120.40 123.89 3k4m s VAL 123 Ca 0.25 -1.98 0.13 0.00 0.00 0.00 0.00 61.98 60.38 3k4m s VAL 123 Cb -0.16 -3.53 0.44 0.00 0.00 0.00 0.00 36.38 33.14 3k4m s VAL 123 CO 0.09 -0.75 1.33 -0.90 0.00 0.00 0.00 175.10 174.87 3k4m n ASP 124 N 4.68 2.54 -0.08 3.32 5.75 -1.26 -4.44 116.55 127.06 3k4m n ASP 124 Ca -0.04 -3.51 0.05 0.00 -0.01 0.00 0.00 54.79 51.28 3k4m n ASP 124 Cb 0.41 -0.55 0.08 0.00 -1.03 0.00 0.00 41.12 40.03 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 -1.07 1.46 -1.51 2.12 -2.24 -1.26 -5.03 114.28 106.75 3k4m n THR 125 Ca 0.24 -1.63 -0.40 0.00 -2.27 0.00 0.00 64.05 60.00 3k4m n THR 125 Cb 0.84 0.13 0.03 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.91 1.33 -4.77 3.22 4.77 -1.26 -4.94 117.00 114.44 3k4m n LEU 126 Ca 0.09 0.85 -0.41 0.00 -0.03 0.00 0.00 56.01 56.50 3k4m n LEU 126 Cb 0.46 -1.22 -0.00 0.00 -2.33 0.00 0.00 43.42 40.32 3k4m n LEU 126 CO 0.01 -2.54 1.16 -0.24 -1.33 0.00 0.00 177.39 174.45 3k4m n SER 127 N 0.52 3.83 0.18 -1.43 2.88 -1.26 -4.88 113.62 113.46 3k4m n SER 127 Ca 0.11 1.21 0.11 0.00 -1.33 0.00 0.00 58.87 58.98 3k4m n SER 127 Cb 0.44 -1.62 0.60 0.00 -0.75 0.00 0.00 64.21 62.88 3k4m n SER 127 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3k4m h PRO 128 N 3.28 0.00 0.00 -1.46 0.11 -2.00 -0.36 132.00 131.57 3k4m h PRO 128 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3k4m h PRO 128 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3k4m h PRO 128 CO 0.67 0.00 -0.12 0.25 -0.21 0.00 0.00 178.00 178.59 3k4m n THR 129 N -2.30 0.15 -2.90 -1.15 -2.24 -1.26 -4.90 114.28 99.68 3k4m n THR 129 Ca -0.01 -0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.32 3k4m n THR 129 Cb 0.10 -0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 67.89 3k4m n THR 129 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3k4m s SER 130 N -3.42 7.23 0.17 3.42 0.01 -0.15 -4.98 113.70 115.98 3k4m s SER 130 Ca 0.12 1.68 -0.32 0.00 1.31 0.00 0.00 55.95 58.74 3k4m s SER 130 Cb 0.17 -2.52 -0.12 0.00 0.21 0.00 0.00 66.02 63.76 3k4m s SER 130 CO 0.58 -0.03 1.72 1.87 0.41 0.00 0.00 173.24 177.79 3k4m n TRP 131 N 0.61 2.61 -4.28 2.43 -0.00 -1.26 -4.94 117.44 112.61 3k4m n TRP 131 Ca 0.00 0.05 -0.23 0.00 -0.00 0.00 0.00 57.50 57.32 3k4m n TRP 131 Cb 0.50 -2.66 -0.12 0.00 -0.00 0.00 0.00 31.31 29.03 3k4m n TRP 131 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 3k4m s GLN 132 N 1.49 1.10 0.48 5.87 0.74 -1.26 -5.11 119.66 122.97 3k4m s GLN 132 Ca 0.78 -1.15 -0.13 0.00 0.05 0.00 0.00 55.36 54.91 3k4m s GLN 132 Cb -0.54 -1.35 -0.07 0.00 1.10 0.00 0.00 33.01 32.15 3k4m s GLN 132 CO 0.35 0.31 0.89 0.00 -0.55 0.00 0.00 175.29 176.29 3k4m s ALA 133 N -1.18 3.20 -0.13 1.58 0.00 -1.26 -4.97 121.76 119.01 3k4m s ALA 133 Ca 0.06 -0.04 0.19 0.00 0.00 0.00 0.00 51.96 52.17 3k4m s ALA 133 Cb -0.10 -2.92 -0.23 0.00 0.00 0.00 0.00 23.12 19.87 3k4m s ALA 133 CO 0.04 -0.19 0.45 0.43 0.00 0.00 0.00 175.76 176.48 3k4m n SER 134 N -1.61 0.30 -4.25 0.00 7.64 -1.26 -5.01 113.62 109.44 3k4m n SER 134 Ca 0.04 0.13 -0.14 0.00 1.01 0.00 0.00 58.87 59.92 3k4m n SER 134 Cb 0.54 0.98 -0.10 0.00 -1.01 0.00 0.00 64.21 64.62 3k4m n SER 134 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3k4m s THR 135 N -2.93 0.75 -1.26 0.44 -4.23 -1.26 -5.05 115.64 102.11 3k4m s THR 135 Ca -0.07 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.32 3k4m s THR 135 Cb 0.09 -2.09 -0.05 0.00 1.34 0.00 0.00 72.50 71.79 3k4m s THR 135 CO 0.85 -0.51 2.34 0.49 -0.54 0.00 0.00 174.62 177.24 3k4m n PHE 136 N -0.24 2.48 -1.31 3.99 3.72 -1.26 -4.98 117.46 119.86 3k4m n PHE 136 Ca -0.07 -2.57 -0.30 0.00 -0.05 0.00 0.00 57.45 54.46 3k4m n PHE 136 Cb 0.63 -2.20 0.22 0.00 -0.94 0.00 0.00 39.48 37.19 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 3.35 0.96 -0.43 1.38 -0.71 -1.26 -4.82 117.98 116.45 3k4m s PHE 137 Ca 0.54 0.50 -0.29 0.00 -1.04 0.00 0.00 56.93 56.64 3k4m s PHE 137 Cb 0.14 -3.59 0.03 0.00 -1.21 0.00 0.00 43.02 38.39 3k4m s PHE 137 CO -0.03 -3.45 1.10 0.08 -1.34 0.00 0.00 175.22 171.58 3k4m s VAL 138 N -3.23 4.32 0.11 -2.49 1.01 -1.26 -4.77 120.40 114.10 3k4m s VAL 138 Ca 0.71 1.34 0.06 0.00 0.00 0.00 0.00 61.98 64.09 3k4m s VAL 138 Cb -0.09 -4.53 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 3k4m s VAL 138 CO 0.55 -0.83 -0.15 -0.13 0.00 0.00 0.00 175.10 174.55 3k4m s ARG 139 N 4.14 0.98 -1.49 2.72 0.52 -1.26 -4.90 118.95 119.66 3k4m s ARG 139 Ca 0.46 -1.17 -0.15 0.00 -0.52 0.00 0.00 55.73 54.36 3k4m s ARG 139 Cb -0.09 -0.92 0.12 0.00 0.52 0.00 0.00 34.95 34.58 3k4m s ARG 139 CO 0.26 0.19 0.67 0.09 0.02 0.00 0.00 175.30 176.53 3k4m n ASN 140 N 0.74 -3.46 0.00 0.23 3.02 -1.26 -1.41 115.26 113.12 3k4m n ASN 140 Ca -0.17 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 3k4m n ASN 140 Cb 0.56 -2.85 0.00 0.00 -0.61 0.00 0.00 39.78 36.88 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 -1.29 0.75 3.79 7.41 0.00 -1.26 -5.03 105.19 109.56 3k4m n GLY 141 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.11 5.09 -0.50 1.61 1.04 -0.50 -4.83 113.70 113.50 3k4m s SER 142 Ca 0.00 1.79 -0.15 0.00 0.48 0.00 0.00 55.95 58.06 3k4m s SER 142 Cb 0.00 -2.52 0.10 0.00 0.10 0.00 0.00 66.02 63.70 3k4m s SER 142 CO 0.00 -1.64 0.44 0.21 0.98 0.00 0.00 173.24 173.23 3k4m s ASN 143 N -3.28 6.14 0.16 7.02 3.84 0.25 -4.79 114.94 124.29 3k4m s ASN 143 Ca 0.62 -1.56 0.20 0.00 0.21 0.00 0.00 52.86 52.33 3k4m s ASN 143 Cb -0.17 -2.19 0.85 0.00 -0.55 0.00 0.00 41.25 39.19 3k4m s ASN 143 CO 0.50 -0.74 1.62 -0.81 -2.79 0.00 0.00 177.10 174.88 3k4m n PRO 144 N 5.21 0.12 0.29 0.43 -0.04 -1.26 -2.23 135.00 137.53 3k4m n PRO 144 Ca -0.13 0.36 0.19 0.00 -0.04 0.00 0.00 63.50 63.88 3k4m n PRO 144 Cb 0.42 -1.74 0.85 0.00 -0.04 0.00 0.00 33.50 32.99 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 -5.35 0.54 4.39 -1.96 -3.46 114.58 108.74 3k4m h GLU 145 Ca 0.00 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.08 3k4m h GLU 145 Cb 0.32 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.84 3k4m h GLU 145 CO 0.00 0.00 -0.01 -1.14 -1.16 0.00 0.00 179.01 176.70 3k4m s GLN 146 N -3.81 4.02 -0.26 2.33 2.00 -0.95 -4.99 119.66 118.01 3k4m s GLN 146 Ca -0.01 0.28 -0.29 0.00 -2.00 0.00 0.00 55.36 53.35 3k4m s GLN 146 Cb 0.10 -3.67 -0.01 0.00 0.80 0.00 0.00 33.01 30.23 3k4m s GLN 146 CO 0.50 -0.39 1.44 0.34 -0.50 0.00 0.00 175.29 176.67 3k4m s ASP 147 N 1.57 6.56 0.64 6.67 -1.08 -1.26 -4.73 116.67 125.03 3k4m s ASP 147 Ca 0.21 1.40 0.43 0.00 -0.52 0.00 0.00 52.55 54.07 3k4m s ASP 147 Cb -0.16 -2.54 2.32 0.00 -1.46 0.00 0.00 42.92 41.09 3k4m s ASP 147 CO 0.10 -1.14 2.31 1.55 0.52 0.00 0.00 175.17 178.50 3k4m h PRO 148 N 9.86 0.00 -0.02 4.34 0.13 -1.95 -2.78 132.00 141.58 3k4m h PRO 148 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3k4m h PRO 148 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3k4m h PRO 148 CO 1.02 0.00 -0.04 1.28 -0.23 0.00 0.00 178.00 180.03 3k4m n LEU 149 N -3.00 2.02 -2.66 1.56 4.77 -1.26 -4.24 117.00 114.18 3k4m n LEU 149 Ca -0.03 -0.67 -0.09 0.00 -0.03 0.00 0.00 56.01 55.19 3k4m n LEU 149 Cb 0.07 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3k4m n LEU 149 CO 0.19 0.34 -0.04 0.54 -1.33 0.00 0.00 177.39 177.09 3k4m n ARG 150 N 0.52 1.68 -4.18 3.23 1.74 -1.05 -4.97 116.66 113.63 3k4m n ARG 150 Ca 0.16 -3.50 -0.24 0.00 -0.77 0.00 0.00 57.85 53.50 3k4m n ARG 150 Cb 0.45 -1.51 -0.07 0.00 -1.02 0.00 0.00 32.46 30.30 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 4.44 -0.97 0.55 3.84 -1.24 -0.76 114.94 117.39 3k4m s ASN 151 Ca 0.30 -0.94 -0.03 0.00 0.21 0.00 0.00 52.86 52.40 3k4m s ASN 151 Cb 0.41 -0.59 0.25 0.00 -0.55 0.00 0.00 41.25 40.77 3k4m s ASN 151 CO -0.01 -0.35 0.99 0.18 -2.79 0.00 0.00 177.10 175.12 3k4m n LEU 152 N -1.11 4.90 0.09 3.21 4.77 -1.26 -4.79 117.00 122.81 3k4m n LEU 152 Ca -0.03 -5.15 0.04 0.00 -0.03 0.00 0.00 56.01 50.84 3k4m n LEU 152 Cb 0.63 -1.20 0.44 0.00 -2.33 0.00 0.00 43.42 40.96 3k4m n LEU 152 CO 0.44 1.57 1.03 0.77 -1.33 0.00 0.00 177.39 179.87 3k4m h SER 153 N 5.92 0.31 1.23 -1.43 4.64 -1.74 0.23 113.55 122.71 3k4m h SER 153 Ca 0.18 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3k4m h SER 153 Cb 0.78 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3k4m h SER 153 CO 0.98 0.32 -0.02 0.61 -0.87 0.00 0.00 176.83 177.85 3k4m n GLY 154 N -1.22 -1.60 3.70 -0.77 0.00 0.50 -4.80 105.19 101.01 3k4m n GLY 154 Ca 0.01 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3k4m n GLY 154 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k4m n GLN 155 N -1.89 2.45 -3.76 1.61 1.13 0.07 -3.88 117.38 113.10 3k4m n GLN 155 Ca 0.06 0.88 -0.11 0.00 -1.94 0.00 0.00 57.00 55.89 3k4m n GLN 155 Cb 0.39 -2.64 -0.07 0.00 0.11 0.00 0.00 30.24 28.02 3k4m n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3k4m s ALA 156 N 0.48 -0.65 0.25 -1.58 0.00 -1.26 -0.76 121.76 118.24 3k4m s ALA 156 Ca 0.71 -0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.69 3k4m s ALA 156 Cb -0.57 0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 3k4m s ALA 156 CO 0.42 -0.44 -0.14 0.14 0.00 0.00 0.00 175.76 175.74 3k4m s VAL 157 N -2.79 1.93 -0.16 0.00 -7.23 0.37 -4.81 120.40 107.70 3k4m s VAL 157 Ca -0.03 -2.25 0.00 0.00 -1.81 0.00 0.00 61.98 57.89 3k4m s VAL 157 Cb -0.00 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.75 3k4m s VAL 157 CO -0.05 -0.47 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.27 3k4m s THR 158 N -2.84 1.47 -0.81 5.32 2.01 -1.25 -0.22 115.64 119.31 3k4m s THR 158 Ca 0.26 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.57 3k4m s THR 158 Cb -0.01 -1.47 0.20 0.00 0.01 0.00 0.00 72.50 71.23 3k4m s THR 158 CO 0.10 0.32 0.66 -0.13 -0.69 0.00 0.00 174.62 174.88 3k4m s ARG 159 N 1.51 2.92 0.04 4.92 0.52 -1.26 -4.67 118.95 122.92 3k4m s ARG 159 Ca 0.03 -3.34 -0.12 0.00 -0.52 0.00 0.00 55.73 51.78 3k4m s ARG 159 Cb -0.14 -3.71 0.01 0.00 0.52 0.00 0.00 34.95 31.63 3k4m s ARG 159 CO -0.09 -1.28 0.25 0.14 0.02 0.00 0.00 175.30 174.34 3k4m s VAL 160 N -1.44 0.10 0.05 3.52 -7.23 -1.26 -4.35 120.40 109.78 3k4m s VAL 160 Ca 0.26 -0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 59.35 3k4m s VAL 160 Cb -0.06 -0.92 -0.09 0.00 0.56 0.00 0.00 36.38 35.88 3k4m s VAL 160 CO -0.15 -0.43 1.83 -0.69 -0.31 0.00 0.00 175.10 175.35 3k4m s VAL 161 N -2.54 3.01 0.00 1.32 1.01 -0.42 -0.77 120.40 122.01 3k4m s VAL 161 Ca -0.05 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3k4m s VAL 161 Cb -0.01 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3k4m s VAL 161 CO -0.04 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.66 3k4m n GLY 162 N 4.32 0.19 7.00 4.51 0.00 -1.03 -4.11 105.19 116.07 3k4m n GLY 162 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.79 1.87 0.20 -0.02 0.00 0.05 -2.54 105.19 102.96 3k4m n GLY 163 Ca 0.00 -0.50 0.14 0.00 0.00 0.00 0.00 46.02 45.66 3k4m n GLY 163 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3k4m h MET 164 N 0.00 0.00 0.00 1.61 2.86 -1.87 -2.00 114.93 115.53 3k4m h MET 164 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3k4m h MET 164 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3k4m h MET 164 CO 0.00 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.84 3k4m n SER 165 N -2.63 0.00 -0.05 1.22 3.41 -1.05 -1.19 113.62 113.33 3k4m n SER 165 Ca 0.02 -0.58 0.14 0.00 -0.26 0.00 0.00 58.87 58.18 3k4m n SER 165 Cb 0.27 -0.01 0.65 0.00 -0.26 0.00 0.00 64.21 64.87 3k4m n SER 165 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3k4m n THR 166 N -1.01 0.00 -0.83 6.66 -2.24 -0.75 -4.35 114.28 111.76 3k4m n THR 166 Ca 0.14 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 3k4m n THR 166 Cb 0.07 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 3k4m n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4m n HIS 167 N -1.19 0.00 -1.05 4.78 1.44 -0.33 -0.36 115.22 118.51 3k4m n HIS 167 Ca 0.13 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.53 3k4m n HIS 167 Cb 0.27 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.51 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 0.00 2.20 0.08 -1.40 1.48 -0.49 -4.95 118.94 115.86 3k4m s TRP 168 Ca 0.00 1.59 0.27 0.00 -1.06 0.00 0.00 56.10 56.90 3k4m s TRP 168 Cb 0.00 -3.16 1.02 0.00 -1.16 0.00 0.00 33.47 30.18 3k4m s TRP 168 CO 0.00 -2.25 1.86 1.15 -4.06 0.00 0.00 176.95 173.65 3k4m h THR 169 N -1.46 0.33 0.00 0.66 2.02 -1.98 -3.48 112.91 109.01 3k4m h THR 169 Ca -0.44 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 65.82 3k4m h THR 169 Cb 1.25 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 3k4m h THR 169 CO 0.48 0.13 0.00 0.00 0.37 0.00 0.00 175.52 176.51 3k4m s ALA 171 N -2.00 3.36 -0.60 0.00 0.00 -1.26 -1.09 121.76 120.17 3k4m s ALA 171 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.04 3k4m s ALA 171 Cb 0.00 -3.77 0.21 0.00 0.00 0.00 0.00 23.12 19.56 3k4m s ALA 171 CO 0.00 -1.77 0.59 0.25 0.00 0.00 0.00 175.76 174.82 3k4m n THR 172 N 6.22 1.32 -3.15 0.00 -2.24 -0.14 -4.74 114.28 111.55 3k4m n THR 172 Ca 0.14 -4.74 -0.34 0.00 -2.27 0.00 0.00 64.05 56.83 3k4m n THR 172 Cb 0.47 -2.06 -0.06 0.00 -2.10 0.00 0.00 70.33 66.58 3k4m n THR 172 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3k4m s PRO 173 N -1.69 4.11 0.36 -0.78 0.04 -1.26 -4.69 135.00 131.10 3k4m s PRO 173 Ca 0.33 0.74 -0.28 0.00 0.04 0.00 0.00 61.00 61.83 3k4m s PRO 173 Cb 0.08 -2.70 -0.10 0.00 0.04 0.00 0.00 34.50 31.82 3k4m s PRO 173 CO -0.10 0.30 1.38 1.03 0.04 0.00 0.00 177.00 179.66 3k4m s ARG 174 N -2.41 4.19 0.19 4.56 0.52 -1.26 -4.74 118.95 120.00 3k4m s ARG 174 Ca 0.47 2.36 -0.30 0.00 -0.52 0.00 0.00 55.73 57.75 3k4m s ARG 174 Cb -0.14 -2.98 -0.08 0.00 0.52 0.00 0.00 34.95 32.27 3k4m s ARG 174 CO 0.19 -0.38 1.15 -0.06 0.02 0.00 0.00 175.30 176.22 3k4m s PHE 175 N -1.15 3.51 0.90 -0.53 0.40 -1.26 -5.01 117.98 114.84 3k4m s PHE 175 Ca 0.52 1.52 -0.14 0.00 -0.60 0.00 0.00 56.93 58.23 3k4m s PHE 175 Cb -0.42 -3.35 0.15 0.00 0.51 0.00 0.00 43.02 39.91 3k4m s PHE 175 CO 0.57 -0.89 1.26 0.16 0.70 0.00 0.00 175.22 177.03 3k4m s ASP 176 N -0.05 3.68 0.16 1.36 -4.77 -1.26 -4.84 116.67 110.95 3k4m s ASP 176 Ca 0.51 0.47 -0.22 0.00 -3.30 0.00 0.00 52.55 50.01 3k4m s ASP 176 Cb -0.31 -0.69 0.06 0.00 -1.09 0.00 0.00 42.92 40.89 3k4m s ASP 176 CO 0.36 -2.40 1.61 0.03 0.70 0.00 0.00 175.17 175.48 3k4m h ARG 177 N -1.40 -0.22 -0.97 2.11 3.08 -1.98 -1.54 114.38 113.47 3k4m h ARG 177 Ca -0.45 0.01 0.35 0.00 0.07 0.00 0.00 59.98 59.97 3k4m h ARG 177 Cb 1.27 0.05 -0.18 0.00 0.08 0.00 0.00 29.97 31.20 3k4m h ARG 177 CO 0.49 -0.15 0.33 0.39 -1.07 0.00 0.00 179.97 179.97 3k4m n GLU 178 N -5.40 -0.07 0.00 0.04 1.02 -1.26 -1.83 120.64 113.14 3k4m n GLU 178 Ca 0.01 1.38 0.12 0.00 -0.02 0.00 0.00 57.16 58.64 3k4m n GLU 178 Cb 0.32 -2.36 0.10 0.00 -0.02 0.00 0.00 31.44 29.47 3k4m n GLU 178 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3k4m n GLN 179 N -5.28 1.01 -4.60 3.49 6.02 -0.60 -4.89 117.38 112.53 3k4m n GLN 179 Ca 0.31 -0.78 -0.34 0.00 -0.01 0.00 0.00 57.00 56.18 3k4m n GLN 179 Cb 1.05 -1.48 -0.11 0.00 1.02 0.00 0.00 30.24 30.72 3k4m n GLN 179 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3k4m s ARG 180 N -2.53 2.89 0.51 -1.09 3.52 -0.76 -4.55 118.95 116.94 3k4m s ARG 180 Ca 0.19 -0.55 -0.20 0.00 -0.13 0.00 0.00 55.73 55.04 3k4m s ARG 180 Cb 0.18 -2.63 -0.07 0.00 -1.56 0.00 0.00 34.95 30.87 3k4m s ARG 180 CO 0.58 0.60 1.11 -1.25 -0.81 0.00 0.00 175.30 175.52 3k4m s PRO 181 N -0.63 3.56 0.09 5.12 0.04 -1.26 -4.94 135.00 136.98 3k4m s PRO 181 Ca 0.09 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.39 3k4m s PRO 181 Cb -0.12 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 3k4m s PRO 181 CO 0.02 -0.67 1.28 -0.51 0.04 0.00 0.00 177.00 177.15 3k4m s LEU 182 N -3.58 4.38 -0.02 -3.56 1.43 -1.26 -4.92 118.68 111.15 3k4m s LEU 182 Ca 0.70 2.17 0.11 0.00 -1.03 0.00 0.00 54.13 56.07 3k4m s LEU 182 Cb -0.22 -3.58 -0.16 0.00 0.03 0.00 0.00 46.19 42.25 3k4m s LEU 182 CO 0.26 -0.54 0.22 0.18 0.23 0.00 0.00 176.35 176.70 3k4m n LEU 183 N 3.80 0.00 -4.09 1.79 4.77 -1.26 -4.86 117.00 117.16 3k4m n LEU 183 Ca 0.10 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.75 3k4m n LEU 183 Cb 0.44 0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 41.39 3k4m n LEU 183 CO 0.57 0.02 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.44 3k4m s VAL 184 N -2.70 1.92 0.24 4.08 1.01 -1.26 -5.01 120.40 118.68 3k4m s VAL 184 Ca -0.04 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 3k4m s VAL 184 Cb 0.07 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.58 3k4m s VAL 184 CO 0.44 0.47 1.18 -1.59 0.00 0.00 0.00 175.10 175.60 3k4m s LYS 185 N 1.34 4.52 -1.46 2.72 -2.85 -1.26 -4.24 119.74 118.51 3k4m s LYS 185 Ca 0.04 1.91 -0.12 0.00 -1.00 0.00 0.00 55.97 56.80 3k4m s LYS 185 Cb -0.13 -3.19 0.05 0.00 -2.06 0.00 0.00 37.83 32.50 3k4m s LYS 185 CO -0.12 0.00 1.06 -0.25 0.10 0.00 0.00 175.35 176.14 3k4m n ASP 186 N 1.74 -5.51 -2.88 0.03 8.00 -1.26 -4.93 116.55 111.74 3k4m n ASP 186 Ca 0.02 -0.67 -0.04 0.00 0.71 0.00 0.00 54.79 54.81 3k4m n ASP 186 Cb 0.44 -4.37 0.00 0.00 -0.02 0.00 0.00 41.12 37.17 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 -3.29 -1.31 0.14 -2.24 -1.08 -1.26 -5.05 116.67 102.59 3k4m s ASP 187 Ca 0.63 -1.61 -0.16 0.00 -0.52 0.00 0.00 52.55 50.88 3k4m s ASP 187 Cb -0.30 1.80 0.08 0.00 -1.46 0.00 0.00 42.92 43.04 3k4m s ASP 187 CO 0.78 -0.08 1.10 0.00 0.52 0.00 0.00 175.17 177.49 3k4m n ALA 188 N 3.23 -0.23 -0.08 3.66 0.00 -1.26 -1.82 120.51 124.01 3k4m n ALA 188 Ca 0.17 0.67 -0.09 0.00 0.00 0.00 0.00 53.44 54.19 3k4m n ALA 188 Cb 0.56 -0.23 -0.01 0.00 0.00 0.00 0.00 19.45 19.76 3k4m n ALA 188 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3k4m h ASP 189 N 0.00 0.27 -0.41 0.00 3.32 -1.98 -0.74 116.42 116.88 3k4m h ASP 189 Ca 0.19 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 3k4m h ASP 189 Cb 0.37 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3k4m h ASP 189 CO -0.69 0.20 -0.17 0.00 -1.72 0.00 0.00 179.24 176.86 3k4m h ALA 190 N 1.13 0.84 -0.15 3.45 0.00 -1.77 -2.27 119.26 120.48 3k4m h ALA 190 Ca 0.11 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.71 3k4m h ALA 190 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3k4m h ALA 190 CO -0.05 0.65 -0.17 0.22 0.00 0.00 0.00 179.25 179.89 3k4m h ASP 191 N 0.78 -0.53 -0.93 0.00 3.58 -1.13 -0.17 116.42 118.02 3k4m h ASP 191 Ca 0.12 0.10 0.09 0.00 0.42 0.00 0.00 57.03 57.75 3k4m h ASP 191 Cb 0.70 0.25 -0.07 0.00 1.72 0.00 0.00 39.33 41.94 3k4m h ASP 191 CO 0.05 -0.22 0.60 0.44 -2.88 0.00 0.00 179.24 177.24 3k4m h ASP 192 N -0.20 0.89 0.24 2.28 3.32 -0.89 -1.85 116.42 120.21 3k4m h ASP 192 Ca 0.10 0.02 -0.25 0.00 0.02 0.00 0.00 57.03 56.92 3k4m h ASP 192 Cb 0.35 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.75 3k4m h ASP 192 CO -0.27 0.54 -1.03 0.00 -1.72 0.00 0.00 179.24 176.76 3k4m h ALA 193 N 1.52 0.23 -0.75 3.45 0.00 -0.93 -0.65 119.26 122.14 3k4m h ALA 193 Ca 0.42 -0.73 0.07 0.00 0.00 0.00 0.00 54.91 54.68 3k4m h ALA 193 Cb 0.32 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3k4m h ALA 193 CO -0.18 0.78 0.43 1.49 0.00 0.00 0.00 179.25 181.77 3k4m h GLU 194 N 0.27 0.74 -0.20 0.00 4.57 -0.76 -1.56 114.58 117.64 3k4m h GLU 194 Ca -0.11 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 57.87 3k4m h GLU 194 Cb 1.68 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 30.11 3k4m h GLU 194 CO 0.19 0.49 -0.49 -1.49 -1.18 0.00 0.00 179.01 176.53 3k4m h TRP 195 N 0.76 0.88 -0.64 0.92 4.06 -1.14 -1.38 115.95 119.41 3k4m h TRP 195 Ca 0.34 -0.34 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 3k4m h TRP 195 Cb 0.25 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.22 3k4m h TRP 195 CO -0.07 1.12 0.25 0.22 -3.56 0.00 0.00 178.44 176.40 3k4m h ASP 196 N 0.38 0.89 -0.40 -3.49 3.58 -0.96 0.50 116.42 116.92 3k4m h ASP 196 Ca -0.01 -0.18 0.01 0.00 0.42 0.00 0.00 57.03 57.28 3k4m h ASP 196 Cb 1.11 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 3k4m h ASP 196 CO 0.11 0.82 0.26 -0.09 -2.88 0.00 0.00 179.24 177.46 3k4m h ARG 197 N 0.90 0.51 -0.21 0.28 2.43 -1.26 0.54 114.38 117.57 3k4m h ARG 197 Ca 0.21 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.19 3k4m h ARG 197 Cb 0.22 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3k4m h ARG 197 CO -0.02 0.34 -0.48 -0.07 -1.51 0.00 0.00 179.97 178.23 3k4m h LEU 198 N 0.53 0.79 -1.20 3.80 3.38 -0.67 -2.77 115.31 119.16 3k4m h LEU 198 Ca 0.15 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3k4m h LEU 198 Cb -0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3k4m h LEU 198 CO -0.04 1.20 0.30 1.88 0.09 0.00 0.00 178.44 181.87 3k4m h TYR 199 N 0.41 0.84 -0.52 1.13 0.05 0.05 -0.07 116.97 118.87 3k4m h TYR 199 Ca 0.00 -0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.64 3k4m h TYR 199 Cb 1.09 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.54 3k4m h TYR 199 CO 0.09 0.61 -0.13 1.15 -1.05 0.00 0.00 178.16 178.83 3k4m h THR 200 N 0.86 1.27 -0.01 -2.88 2.02 -0.87 0.67 112.91 113.97 3k4m h THR 200 Ca 0.21 -1.29 -0.18 0.00 0.77 0.00 0.00 66.41 65.92 3k4m h THR 200 Cb 0.08 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3k4m h THR 200 CO -0.03 0.45 -0.80 0.50 0.37 0.00 0.00 175.52 176.01 3k4m h LYS 201 N 0.88 0.15 -0.38 6.66 3.64 -1.19 -2.78 116.57 123.55 3k4m h LYS 201 Ca 0.13 -0.15 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3k4m h LYS 201 Cb 0.71 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 3k4m h LYS 201 CO 0.05 0.87 -0.12 0.00 -2.27 0.00 0.00 179.45 177.98 3k4m h ALA 202 N 1.08 1.07 -0.13 5.00 0.00 -0.52 -2.07 119.26 123.69 3k4m h ALA 202 Ca -0.03 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 3k4m h ALA 202 Cb 1.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3k4m h ALA 202 CO 0.12 0.57 -0.45 0.93 0.00 0.00 0.00 179.25 180.42 3k4m h GLU 203 N 0.62 0.32 0.00 0.00 5.08 -0.70 -1.96 114.58 117.93 3k4m h GLU 203 Ca 0.11 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 3k4m h GLU 203 Cb 0.57 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3k4m h GLU 203 CO 0.04 0.71 -0.70 0.66 -1.00 0.00 0.00 179.01 178.71 3k4m h SER 204 N 0.26 0.00 -0.26 1.42 4.64 -1.28 0.26 113.55 118.60 3k4m h SER 204 Ca 0.02 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 3k4m h SER 204 Cb 0.90 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 3k4m h SER 204 CO 0.07 0.70 -0.11 1.88 -0.87 0.00 0.00 176.83 178.51 3k4m h TYR 205 N 0.00 0.72 0.00 4.77 -1.99 -0.65 -3.11 116.97 116.70 3k4m h TYR 205 Ca -0.01 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.60 3k4m h TYR 205 Cb 1.36 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.90 3k4m h TYR 205 CO 0.00 0.74 -0.97 1.19 -0.00 0.00 0.00 178.16 179.12 3k4m n PHE 206 N -4.18 0.29 -2.82 4.88 3.72 -0.90 -3.94 117.46 114.51 3k4m n PHE 206 Ca 0.01 0.08 -0.18 0.00 -0.05 0.00 0.00 57.45 57.32 3k4m n PHE 206 Cb 0.35 -0.45 0.03 0.00 -0.94 0.00 0.00 39.48 38.46 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 -1.96 -3.72 -1.67 -1.08 1.13 0.78 -4.25 117.38 106.62 3k4m n GLN 207 Ca 0.02 0.74 -0.45 0.00 -1.94 0.00 0.00 57.00 55.37 3k4m n GLN 207 Cb 0.43 -5.21 -0.03 0.00 0.11 0.00 0.00 30.24 25.55 3k4m n GLN 207 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3k4m n THR 208 N -4.24 0.94 -3.89 5.09 -1.04 -0.42 -3.13 114.28 107.58 3k4m n THR 208 Ca -0.10 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.05 61.58 3k4m n THR 208 Cb 0.60 -1.47 -0.05 0.00 -1.82 0.00 0.00 70.33 67.59 3k4m n THR 208 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3k4m s GLY 209 N 0.30 0.30 -0.10 3.41 0.00 -0.07 -4.89 107.32 106.26 3k4m s GLY 209 Ca 0.68 -0.66 0.15 0.00 0.00 0.00 0.00 44.72 44.89 3k4m s GLY 209 CO 0.50 -0.59 1.15 -1.30 0.00 0.00 0.00 173.10 172.86 3k4m n THR 210 N -0.30 1.17 -0.43 0.90 -2.24 -1.26 -0.76 114.28 111.36 3k4m n THR 210 Ca -0.07 -1.88 0.00 0.00 -2.27 0.00 0.00 64.05 59.83 3k4m n THR 210 Cb 0.62 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.57 0.68 0.22 3.42 5.75 -1.26 -4.66 116.55 120.13 3k4m n ASP 211 Ca 0.12 -1.12 0.15 0.00 -0.01 0.00 0.00 54.79 53.93 3k4m n ASP 211 Cb 0.80 0.00 0.47 0.00 -1.03 0.00 0.00 41.12 41.36 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 -0.04 0.11 7.50 -1.93 -3.13 115.11 117.62 3k4m h GLN 212 Ca 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 3k4m h GLN 212 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 3k4m h GLN 212 CO 0.00 0.00 -0.32 1.19 -1.50 0.00 0.00 178.83 178.20 3k4m n PHE 213 N -2.91 0.14 0.09 2.96 3.01 -1.26 -4.79 117.46 114.71 3k4m n PHE 213 Ca 0.02 -1.37 0.00 0.00 1.01 0.00 0.00 57.45 57.11 3k4m n PHE 213 Cb 0.38 -0.25 0.31 0.00 -0.01 0.00 0.00 39.48 39.90 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 0.78 0.28 -0.50 -1.08 2.10 -1.88 -2.94 116.57 113.33 3k4m h LYS 214 Ca 0.02 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3k4m h LYS 214 Cb 1.08 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 3k4m h LYS 214 CO 0.05 0.50 0.00 0.39 -2.00 0.00 0.00 179.45 178.39 3k4m n GLU 215 N -4.17 3.76 -2.57 0.07 1.02 -1.26 -4.80 120.64 112.70 3k4m n GLU 215 Ca -0.01 -2.87 -0.42 0.00 -0.02 0.00 0.00 57.16 53.84 3k4m n GLU 215 Cb 0.36 -1.92 -0.03 0.00 -0.02 0.00 0.00 31.44 29.83 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 -1.15 7.23 0.09 1.62 0.15 -1.11 -4.90 113.70 115.62 3k4m s SER 216 Ca 0.47 1.83 -0.18 0.00 0.70 0.00 0.00 55.95 58.77 3k4m s SER 216 Cb 0.34 -2.57 -0.07 0.00 -1.71 0.00 0.00 66.02 62.00 3k4m s SER 216 CO 0.17 -0.36 1.55 0.40 1.20 0.00 0.00 173.24 176.20 3k4m h ILE 217 N 4.66 1.24 -0.77 6.45 2.04 -1.90 -2.37 117.51 126.86 3k4m h ILE 217 Ca -0.41 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 64.61 3k4m h ILE 217 Cb 1.22 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 3k4m h ILE 217 CO 0.78 0.27 0.51 0.03 0.00 0.00 0.00 178.15 179.74 3k4m h ARG 218 N 0.27 1.02 0.38 2.37 3.08 -1.93 0.11 114.38 119.68 3k4m h ARG 218 Ca 0.08 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3k4m h ARG 218 Cb 0.37 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3k4m h ARG 218 CO 0.01 0.67 -0.18 1.25 -1.07 0.00 0.00 179.97 180.65 3k4m h HIS 219 N 1.05 -0.48 -0.28 3.04 2.76 -1.78 -2.79 115.15 116.68 3k4m h HIS 219 Ca 0.28 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.37 3k4m h HIS 219 Cb -0.12 0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 3k4m h HIS 219 CO -0.00 -0.24 -0.14 -0.91 -1.30 0.00 0.00 177.93 175.34 3k4m h ASN 220 N -0.61 0.46 -0.60 3.26 2.35 -1.18 -1.22 115.58 118.04 3k4m h ASN 220 Ca -0.05 -0.12 0.03 0.00 -0.55 0.00 0.00 56.30 55.60 3k4m h ASN 220 Cb 0.45 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 3k4m h ASN 220 CO 0.09 0.63 0.37 0.25 -1.65 0.00 0.00 177.43 177.11 3k4m h LEU 221 N 0.44 0.60 -0.02 1.61 5.85 -0.66 -0.19 115.31 122.94 3k4m h LEU 221 Ca 0.08 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 3k4m h LEU 221 Cb 0.51 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.42 3k4m h LEU 221 CO 0.03 0.42 -0.43 0.58 -0.34 0.00 0.00 178.44 178.70 3k4m h VAL 222 N 0.72 1.47 0.43 1.05 2.07 -1.33 -2.90 116.25 117.75 3k4m h VAL 222 Ca 0.24 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.77 3k4m h VAL 222 Cb 0.02 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3k4m h VAL 222 CO -0.10 0.56 -0.20 0.25 0.02 0.00 0.00 177.57 178.09 3k4m h LEU 223 N -0.24 -0.49 -1.54 2.57 5.85 -1.12 0.19 115.31 120.53 3k4m h LEU 223 Ca -0.05 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.71 3k4m h LEU 223 Cb 1.14 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 3k4m h LEU 223 CO 0.09 -0.34 0.34 0.78 -0.34 0.00 0.00 178.44 178.96 3k4m h ASN 224 N -0.58 0.52 -0.04 1.25 2.35 -1.14 0.17 115.58 118.11 3k4m h ASN 224 Ca -0.06 -0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 55.48 3k4m h ASN 224 Cb 0.44 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.70 3k4m h ASN 224 CO 0.10 0.36 -0.78 0.50 -1.65 0.00 0.00 177.43 175.96 3k4m h LYS 225 N 0.60 0.59 -0.40 0.81 1.63 -1.20 -0.91 116.57 117.69 3k4m h LYS 225 Ca 0.20 -0.59 -0.14 0.00 -0.85 0.00 0.00 60.65 59.28 3k4m h LYS 225 Cb 0.06 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 3k4m h LYS 225 CO -0.05 1.20 -0.29 -0.07 -3.45 0.00 0.00 179.45 176.79 3k4m h LEU 226 N 0.20 0.91 -0.04 5.20 3.38 -0.26 -0.07 115.31 124.63 3k4m h LEU 226 Ca -0.09 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.53 3k4m h LEU 226 Cb 1.45 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3k4m h LEU 226 CO 0.15 1.13 -0.04 0.74 0.09 0.00 0.00 178.44 180.52 3k4m h THR 227 N 0.74 0.89 0.14 0.22 2.02 -0.61 -0.17 112.91 116.15 3k4m h THR 227 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3k4m h THR 227 Cb 0.85 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3k4m h THR 227 CO 0.08 0.00 -0.07 -0.08 0.37 0.00 0.00 175.52 175.82 3k4m h GLU 228 N -0.05 -0.18 -0.26 6.66 4.57 -1.09 -2.56 114.58 121.68 3k4m h GLU 228 Ca 0.03 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.26 3k4m h GLU 228 Cb 0.09 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 3k4m h GLU 228 CO -0.07 -0.08 0.18 0.93 -1.18 0.00 0.00 179.01 178.79 3k4m h GLU 229 N -0.24 0.18 -0.47 1.92 4.39 -0.56 -2.09 114.58 117.70 3k4m h GLU 229 Ca -0.02 -0.01 -0.28 0.00 0.34 0.00 0.00 59.36 59.39 3k4m h GLU 229 Cb 0.19 -0.04 -0.17 0.00 -0.10 0.00 0.00 28.75 28.62 3k4m h GLU 229 CO 0.03 0.12 -0.11 0.66 -1.16 0.00 0.00 179.01 178.55 3k4m n TYR 230 N -4.49 1.53 -1.89 4.33 4.02 -0.11 -5.03 117.16 115.52 3k4m n TYR 230 Ca 0.02 -1.83 -0.42 0.00 -0.01 0.00 0.00 57.90 55.66 3k4m n TYR 230 Cb 0.21 -0.56 -0.03 0.00 -0.02 0.00 0.00 39.34 38.94 3k4m n TYR 230 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3k4m s LYS 231 N -3.36 4.20 0.00 -0.72 2.20 -0.79 -0.88 119.74 120.39 3k4m s LYS 231 Ca 0.47 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.51 3k4m s LYS 231 Cb 0.42 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 3k4m s LYS 231 CO 0.00 -0.60 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 3k4m n GLY 232 N 3.26 0.33 0.08 5.54 0.00 -1.26 -4.80 105.19 108.34 3k4m n GLY 232 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.62 0.00 -3.83 1.61 6.02 -0.06 -5.11 117.38 114.39 3k4m n GLN 233 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 3k4m n GLN 233 Cb 0.17 -0.75 -0.11 0.00 1.02 0.00 0.00 30.24 30.58 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 -1.57 0.40 -0.09 -1.09 0.52 -0.54 -5.12 118.95 111.45 3k4m s ARG 234 Ca 0.00 -0.11 -0.05 0.00 -0.52 0.00 0.00 55.73 55.05 3k4m s ARG 234 Cb 0.00 0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.61 3k4m s ARG 234 CO 0.00 -0.09 0.13 -0.51 0.02 0.00 0.00 175.30 174.85 3k4m s ASP 235 N -0.78 6.25 0.11 0.23 1.01 -1.26 -4.63 116.67 117.59 3k4m s ASP 235 Ca -0.09 0.40 0.10 0.00 0.71 0.00 0.00 52.55 53.68 3k4m s ASP 235 Cb -0.05 -1.98 -0.04 0.00 1.01 0.00 0.00 42.92 41.86 3k4m s ASP 235 CO 0.01 0.38 -0.27 -0.36 0.21 0.00 0.00 175.17 175.14 3k4m s PHE 236 N -1.07 2.32 0.34 4.23 0.40 -1.26 -4.29 117.98 118.65 3k4m s PHE 236 Ca 0.17 -0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 56.01 3k4m s PHE 236 Cb -0.12 -1.29 0.02 0.00 0.51 0.00 0.00 43.02 42.14 3k4m s PHE 236 CO 0.07 0.29 0.62 1.14 0.70 0.00 0.00 175.22 178.04 3k4m s GLN 237 N -1.85 1.99 0.52 0.44 -2.07 -0.27 -4.98 119.66 113.44 3k4m s GLN 237 Ca 0.14 -1.50 -0.21 0.00 -1.82 0.00 0.00 55.36 51.97 3k4m s GLN 237 Cb -0.10 0.54 -0.06 0.00 -1.09 0.00 0.00 33.01 32.30 3k4m s GLN 237 CO 0.05 -0.88 1.19 -1.14 -1.32 0.00 0.00 175.29 173.20 3k4m s GLN 238 N -2.95 3.38 0.29 9.60 0.74 -1.26 -0.98 119.66 128.48 3k4m s GLN 238 Ca 0.22 1.81 -0.29 0.00 0.05 0.00 0.00 55.36 57.15 3k4m s GLN 238 Cb -0.03 -2.17 -0.10 0.00 1.10 0.00 0.00 33.01 31.81 3k4m s GLN 238 CO 0.14 -0.87 1.36 0.42 -0.55 0.00 0.00 175.29 175.79 3k4m s ILE 239 N -1.58 2.73 0.28 -2.34 1.01 -0.57 -4.69 121.20 116.03 3k4m s ILE 239 Ca 0.70 0.67 -0.29 0.00 0.00 0.00 0.00 60.65 61.73 3k4m s ILE 239 Cb -0.29 -3.42 -0.10 0.00 0.01 0.00 0.00 42.46 38.66 3k4m s ILE 239 CO 0.34 0.13 1.19 -2.84 0.00 0.00 0.00 174.94 173.77 3k4m s PRO 240 N -1.09 4.52 -0.03 2.79 0.02 -1.26 -4.74 135.00 135.20 3k4m s PRO 240 Ca 0.54 1.96 0.02 0.00 0.02 0.00 0.00 61.00 63.53 3k4m s PRO 240 Cb -0.40 -3.16 0.01 0.00 0.02 0.00 0.00 34.50 30.96 3k4m s PRO 240 CO 0.48 0.02 -0.08 -0.51 -0.33 0.00 0.00 177.00 176.58 3k4m s LEU 241 N -1.27 1.63 -1.02 -5.54 1.43 0.06 -0.97 118.68 113.00 3k4m s LEU 241 Ca 0.48 -0.17 -0.18 0.00 -1.03 0.00 0.00 54.13 53.23 3k4m s LEU 241 Cb -0.35 -0.52 0.13 0.00 0.03 0.00 0.00 46.19 45.48 3k4m s LEU 241 CO 0.44 0.02 1.26 0.00 0.23 0.00 0.00 176.35 178.30 3k4m s ALA 242 N 0.46 3.42 -0.21 4.21 0.00 -0.25 -0.90 121.76 128.50 3k4m s ALA 242 Ca -0.07 -2.84 -0.27 0.00 0.00 0.00 0.00 51.96 48.78 3k4m s ALA 242 Cb -0.11 -4.15 0.09 0.00 0.00 0.00 0.00 23.12 18.95 3k4m s ALA 242 CO 0.01 -3.03 0.80 0.00 0.00 0.00 0.00 175.76 173.54 3k4m s ALA 243 N 2.79 -1.83 -0.12 0.00 0.00 -1.18 -0.77 121.76 120.65 3k4m s ALA 243 Ca 0.37 1.79 0.03 0.00 0.00 0.00 0.00 51.96 54.15 3k4m s ALA 243 Cb -0.03 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.18 3k4m s ALA 243 CO -0.07 -0.32 -0.21 0.99 0.00 0.00 0.00 175.76 176.15 3k4m s THR 244 N -0.16 1.89 0.06 0.00 2.01 -0.77 -4.57 115.64 114.10 3k4m s THR 244 Ca -0.02 -0.89 -0.31 0.00 0.31 0.00 0.00 61.69 60.78 3k4m s THR 244 Cb -0.03 -1.67 -0.07 0.00 0.01 0.00 0.00 72.50 70.73 3k4m s THR 244 CO 0.02 0.52 1.42 -0.60 -0.69 0.00 0.00 174.62 175.28 3k4m s ARG 245 N 0.72 4.30 0.01 4.92 3.52 -1.26 -0.75 118.95 130.40 3k4m s ARG 245 Ca -0.10 2.05 0.22 0.00 -0.13 0.00 0.00 55.73 57.77 3k4m s ARG 245 Cb -0.16 -3.41 -0.22 0.00 -1.56 0.00 0.00 34.95 29.60 3k4m s ARG 245 CO 0.01 -0.52 0.71 0.54 -0.81 0.00 0.00 175.30 175.24 3k4m n ARG 246 N 4.67 0.46 -3.60 5.12 5.12 -0.09 -4.90 116.66 123.44 3k4m n ARG 246 Ca 0.12 -0.10 0.01 0.00 -1.93 0.00 0.00 57.85 55.96 3k4m n ARG 246 Cb 0.43 -1.56 -0.01 0.00 -1.16 0.00 0.00 32.46 30.16 3k4m n ARG 246 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3k4m s SER 247 N -4.18 -0.04 0.00 0.55 1.04 -1.08 -4.94 113.70 105.04 3k4m s SER 247 Ca -0.02 -0.07 0.11 0.00 0.48 0.00 0.00 55.95 56.46 3k4m s SER 247 Cb 0.14 0.10 0.59 0.00 0.10 0.00 0.00 66.02 66.95 3k4m s SER 247 CO 0.87 -0.17 1.24 -2.65 0.98 0.00 0.00 173.24 173.51 3k4m n PRO 248 N -0.41 0.20 -0.33 4.02 -0.02 -1.26 -2.02 135.00 135.18 3k4m n PRO 248 Ca -0.07 0.15 0.03 0.00 -2.02 0.00 0.00 63.50 61.59 3k4m n PRO 248 Cb 0.62 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.64 3k4m n PRO 248 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3k4m n THR 249 N -1.24 0.55 -3.72 3.45 -2.24 -1.26 -4.79 114.28 105.04 3k4m n THR 249 Ca 0.06 -0.66 -0.14 0.00 -2.27 0.00 0.00 64.05 61.04 3k4m n THR 249 Cb 0.08 0.33 -0.14 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.83 -0.23 -0.14 4.78 2.19 -0.85 -4.92 117.98 117.98 3k4m s PHE 250 Ca 0.09 0.63 0.02 0.00 0.33 0.00 0.00 56.93 58.00 3k4m s PHE 250 Cb 0.08 -0.09 0.01 0.00 -1.31 0.00 0.00 43.02 41.70 3k4m s PHE 250 CO 0.01 -0.23 -0.21 0.08 1.83 0.00 0.00 175.22 176.70 3k4m s VAL 251 N 1.58 2.17 -1.02 3.12 1.01 -1.26 -0.91 120.40 125.08 3k4m s VAL 251 Ca -0.05 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 60.75 3k4m s VAL 251 Cb -0.11 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.43 3k4m s VAL 251 CO -0.07 0.55 1.53 -0.70 0.00 0.00 0.00 175.10 176.41 3k4m s GLU 252 N 0.73 3.49 0.41 2.72 2.12 0.07 -4.84 118.70 123.39 3k4m s GLU 252 Ca -0.09 -1.08 -0.27 0.00 0.36 0.00 0.00 54.97 53.90 3k4m s GLU 252 Cb -0.16 -5.34 -0.10 0.00 0.26 0.00 0.00 34.13 28.80 3k4m s GLU 252 CO 0.00 -2.36 1.44 -1.58 -0.54 0.00 0.00 175.26 172.22 3k4m s TRP 253 N 5.57 2.56 0.68 5.30 0.52 -1.26 -1.86 118.94 130.46 3k4m s TRP 253 Ca 0.49 1.24 -0.07 0.00 0.02 0.00 0.00 56.10 57.78 3k4m s TRP 253 Cb -0.01 -3.94 0.05 0.00 -1.15 0.00 0.00 33.47 28.42 3k4m s TRP 253 CO -0.08 -2.86 0.99 -1.12 0.02 0.00 0.00 176.95 173.90 3k4m s SER 254 N -0.36 5.01 0.06 2.95 0.01 0.05 -4.55 113.70 116.88 3k4m s SER 254 Ca 0.56 0.54 -0.03 0.00 1.31 0.00 0.00 55.95 58.33 3k4m s SER 254 Cb -0.44 -1.27 0.01 0.00 0.21 0.00 0.00 66.02 64.53 3k4m s SER 254 CO 0.59 -1.47 0.17 -1.54 0.41 0.00 0.00 173.24 171.40 3k4m n SER 255 N -2.85 -0.41 0.01 2.44 3.41 -1.26 -4.75 113.62 110.20 3k4m n SER 255 Ca 0.07 -1.27 -0.10 0.00 -0.26 0.00 0.00 58.87 57.32 3k4m n SER 255 Cb 0.60 0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 65.20 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 -0.09 -0.98 7.33 0.00 -1.78 -1.44 119.26 124.30 3k4m h ALA 256 Ca -0.06 0.04 0.33 0.00 0.00 0.00 0.00 54.91 55.22 3k4m h ALA 256 Cb 0.24 0.29 -0.17 0.00 0.00 0.00 0.00 17.79 18.15 3k4m h ALA 256 CO 0.08 -0.61 0.38 -0.97 0.00 0.00 0.00 179.25 178.13 3k4m h ASN 257 N -0.20 0.13 0.03 0.00 -0.73 -1.56 0.41 115.58 113.66 3k4m h ASN 257 Ca 0.08 0.24 -0.08 0.00 1.87 0.00 0.00 56.30 58.41 3k4m h ASN 257 Cb 0.31 0.29 -0.01 0.00 0.27 0.00 0.00 38.32 39.18 3k4m h ASN 257 CO -0.21 -0.30 -0.23 0.74 -0.37 0.00 0.00 177.43 177.06 3k4m h THR 258 N 0.11 1.24 0.04 -3.57 2.02 -1.57 -2.99 112.91 108.20 3k4m h THR 258 Ca 0.72 -1.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 3k4m h THR 258 Cb 1.70 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 3k4m h THR 258 CO -0.75 0.35 -0.02 0.58 0.37 0.00 0.00 175.52 176.06 3k4m h VAL 259 N 0.31 1.35 -2.91 3.16 2.07 -0.12 -3.45 116.25 116.65 3k4m h VAL 259 Ca 0.05 -1.60 -0.22 0.00 0.82 0.00 0.00 66.70 65.76 3k4m h VAL 259 Cb 0.58 2.35 -0.32 0.00 -1.52 0.00 0.00 31.29 32.38 3k4m h VAL 259 CO 0.04 0.38 -0.53 0.12 0.02 0.00 0.00 177.57 177.61 3k4m s PHE 260 N -3.14 -0.39 -0.59 1.57 5.36 0.75 -4.84 117.98 116.70 3k4m s PHE 260 Ca -0.16 0.91 0.21 0.00 -0.96 0.00 0.00 56.93 56.93 3k4m s PHE 260 Cb -0.01 -0.03 0.88 0.00 -0.34 0.00 0.00 43.02 43.53 3k4m s PHE 260 CO 0.60 -0.32 1.63 -0.40 -1.46 0.00 0.00 175.22 175.27 3k4m n ASP 261 N 5.10 0.49 0.00 6.13 5.68 -1.14 -3.75 116.55 129.06 3k4m n ASP 261 Ca -0.10 0.63 0.00 0.00 -0.50 0.00 0.00 54.79 54.82 3k4m n ASP 261 Cb 0.50 -0.73 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 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 -2.05 0.42 -4.77 -2.12 4.77 -1.26 -4.08 117.00 107.91 3k4m n LEU 262 Ca 0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.59 3k4m n LEU 262 Cb 0.19 -1.04 -0.02 0.00 -2.33 0.00 0.00 43.42 40.23 3k4m n LEU 262 CO 0.17 -0.33 1.05 -1.10 -1.33 0.00 0.00 177.39 175.85 3k4m s GLN 263 N -0.66 4.26 0.32 3.23 -1.52 -1.26 -4.73 119.66 119.30 3k4m s GLN 263 Ca 0.00 2.34 -0.29 0.00 -1.95 0.00 0.00 55.36 55.46 3k4m s GLN 263 Cb 0.00 -3.04 -0.11 0.00 -0.22 0.00 0.00 33.01 29.63 3k4m s GLN 263 CO 0.00 -0.33 1.55 -0.80 -0.25 0.00 0.00 175.29 175.46 3k4m s ASN 264 N -0.25 6.37 0.10 5.90 -0.87 -1.26 -4.90 114.94 120.04 3k4m s ASN 264 Ca 0.52 2.98 0.10 0.00 -1.57 0.00 0.00 52.86 54.89 3k4m s ASN 264 Cb -0.42 -2.65 -0.04 0.00 -0.02 0.00 0.00 41.25 38.12 3k4m s ASN 264 CO 0.55 -0.89 -0.23 -0.13 -2.57 0.00 0.00 177.10 173.82 3k4m s ARG 265 N -1.08 1.64 0.62 -0.60 0.52 0.00 -4.36 118.95 115.70 3k4m s ARG 265 Ca 0.59 -1.22 -0.15 0.00 -0.52 0.00 0.00 55.73 54.43 3k4m s ARG 265 Cb -0.47 -2.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.97 3k4m s ARG 265 CO 0.53 0.48 1.07 -2.14 0.02 0.00 0.00 175.30 175.26 3k4m s PRO 266 N -1.88 3.15 0.24 3.54 0.02 -0.99 -1.63 135.00 137.46 3k4m s PRO 266 Ca 0.15 1.20 -0.16 0.00 0.02 0.00 0.00 61.00 62.21 3k4m s PRO 266 Cb -0.10 -2.01 0.01 0.00 0.02 0.00 0.00 34.50 32.42 3k4m s PRO 266 CO 0.06 -0.94 0.54 0.54 -0.33 0.00 0.00 177.00 176.87 3k4m s ASN 267 N -2.91 -0.16 0.31 2.53 2.20 -0.99 -4.99 114.94 110.93 3k4m s ASN 267 Ca 0.63 -0.76 0.06 0.00 -0.94 0.00 0.00 52.86 51.84 3k4m s ASN 267 Cb -0.16 0.62 0.84 0.00 -2.00 0.00 0.00 41.25 40.55 3k4m s ASN 267 CO 0.41 -1.17 1.62 0.74 -2.94 0.00 0.00 177.10 175.75 3k4m h THR 268 N 2.19 0.18 0.00 0.54 2.02 -1.97 0.14 112.91 116.01 3k4m h THR 268 Ca -0.25 -0.04 -0.23 0.00 0.77 0.00 0.00 66.41 66.66 3k4m h THR 268 Cb 1.25 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 3k4m h THR 268 CO 0.33 0.02 -1.14 0.44 0.37 0.00 0.00 175.52 175.54 3k4m h ASP 269 N 0.13 0.00 -2.74 4.18 3.32 -2.00 -3.37 116.42 115.94 3k4m h ASP 269 Ca 0.62 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 57.07 3k4m h ASP 269 Cb 1.35 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.50 3k4m h ASP 269 CO -0.75 1.00 -0.72 0.00 -1.72 0.00 0.00 179.24 177.05 3k4m n ALA 270 N -2.39 3.27 0.19 3.45 0.00 -0.05 -4.97 120.51 120.01 3k4m n ALA 270 Ca -0.03 -4.08 0.05 0.00 0.00 0.00 0.00 53.44 49.38 3k4m n ALA 270 Cb 0.96 -0.93 0.33 0.00 0.00 0.00 0.00 19.45 19.81 3k4m n ALA 270 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3k4m h PRO 271 N 5.28 0.00 -0.42 0.00 0.13 -1.50 -2.62 132.00 132.88 3k4m h PRO 271 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3k4m h PRO 271 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3k4m h PRO 271 CO 0.61 0.38 0.00 -1.91 -0.23 0.00 0.00 178.00 176.85 3k4m n GLU 272 N -3.53 3.79 -4.30 0.86 2.13 -1.26 -4.75 120.64 113.58 3k4m n GLU 272 Ca -0.00 -2.95 -0.30 0.00 0.66 0.00 0.00 57.16 54.57 3k4m n GLU 272 Cb 0.52 -2.00 -0.11 0.00 0.27 0.00 0.00 31.44 30.12 3k4m n GLU 272 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3k4m s GLU 273 N -2.67 1.95 -0.21 5.31 2.02 -1.21 -4.87 118.70 119.02 3k4m s GLU 273 Ca 0.47 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 54.37 3k4m s GLU 273 Cb 0.36 -2.20 0.05 0.00 0.10 0.00 0.00 34.13 32.44 3k4m s GLU 273 CO 0.13 0.50 -0.08 1.03 0.02 0.00 0.00 175.26 176.86 3k4m s ARG 274 N -2.11 1.80 -0.08 1.61 0.52 -1.26 -2.33 118.95 117.10 3k4m s ARG 274 Ca 0.19 -0.90 -0.05 0.00 -0.52 0.00 0.00 55.73 54.45 3k4m s ARG 274 Cb -0.11 -2.48 0.03 0.00 0.52 0.00 0.00 34.95 32.92 3k4m s ARG 274 CO 0.11 -0.51 0.20 0.12 0.02 0.00 0.00 175.30 175.24 3k4m s PHE 275 N 1.40 -0.24 -0.05 -0.53 5.36 -0.64 -1.75 117.98 121.53 3k4m s PHE 275 Ca -0.04 0.60 0.04 0.00 -0.96 0.00 0.00 56.93 56.58 3k4m s PHE 275 Cb -0.17 0.02 -0.00 0.00 -0.34 0.00 0.00 43.02 42.53 3k4m s PHE 275 CO -0.07 -0.16 -0.17 -0.80 -1.46 0.00 0.00 175.22 172.56 3k4m s ASN 276 N 0.78 2.14 -0.15 6.13 -0.87 -0.25 -0.82 114.94 121.90 3k4m s ASN 276 Ca -0.06 -0.35 -0.05 0.00 -1.57 0.00 0.00 52.86 50.84 3k4m s ASN 276 Cb -0.07 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.25 40.49 3k4m s ASN 276 CO -0.04 0.14 0.02 -0.22 -2.57 0.00 0.00 177.10 174.43 3k4m s LEU 277 N 0.09 3.60 -0.32 0.60 2.96 -1.26 -1.56 118.68 122.80 3k4m s LEU 277 Ca -0.05 0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 53.91 3k4m s LEU 277 Cb -0.12 -1.87 0.10 0.00 0.50 0.00 0.00 46.19 44.80 3k4m s LEU 277 CO 0.02 0.24 0.10 -0.36 -1.32 0.00 0.00 176.35 175.03 3k4m s PHE 278 N -0.03 1.91 0.54 5.38 0.08 -0.03 -4.98 117.98 120.86 3k4m s PHE 278 Ca 0.04 -1.90 -0.00 0.00 0.12 0.00 0.00 56.93 55.19 3k4m s PHE 278 Cb -0.13 -1.83 0.02 0.00 -0.57 0.00 0.00 43.02 40.51 3k4m s PHE 278 CO 0.02 -0.88 0.77 -1.25 -0.10 0.00 0.00 175.22 173.78 3k4m s PRO 279 N 1.47 2.69 -1.44 0.24 0.05 -1.26 -1.26 135.00 135.50 3k4m s PRO 279 Ca 0.10 -0.60 -0.07 0.00 0.05 0.00 0.00 61.00 60.48 3k4m s PRO 279 Cb -0.18 -2.47 0.04 0.00 0.05 0.00 0.00 34.50 31.95 3k4m s PRO 279 CO -0.22 -0.63 0.79 0.00 0.05 0.00 0.00 177.00 176.99 3k4m n ALA 280 N -2.33 -1.67 -3.90 8.56 0.00 0.31 -4.86 120.51 116.63 3k4m n ALA 280 Ca 0.06 -0.02 -0.28 0.00 0.00 0.00 0.00 53.44 53.20 3k4m n ALA 280 Cb 0.59 -3.05 -0.16 0.00 0.00 0.00 0.00 19.45 16.82 3k4m n ALA 280 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k4m s VAL 281 N -3.53 1.14 -0.38 0.00 1.01 0.11 -0.75 120.40 117.99 3k4m s VAL 281 Ca 0.32 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 3k4m s VAL 281 Cb -0.16 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.93 3k4m s VAL 281 CO 0.83 0.15 0.62 0.00 0.00 0.00 0.00 175.10 176.71 3k4m s ALA 282 N 1.62 3.42 -0.12 5.51 0.00 0.13 -1.97 121.76 130.36 3k4m s ALA 282 Ca 0.01 -1.01 -0.28 0.00 0.00 0.00 0.00 51.96 50.68 3k4m s ALA 282 Cb -0.15 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 3k4m s ALA 282 CO -0.08 -1.48 0.94 0.00 0.00 0.00 0.00 175.76 175.14 3k4m n GLU 284 N 4.99 2.13 -3.68 0.00 1.02 -0.09 -4.96 120.64 120.05 3k4m n GLU 284 Ca 0.07 0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 57.08 3k4m n GLU 284 Cb 0.49 -1.15 -0.08 0.00 -0.02 0.00 0.00 31.44 30.67 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 -2.15 0.68 -0.18 3.49 0.52 -1.14 -4.66 118.95 115.51 3k4m s ARG 285 Ca -0.05 0.50 -0.07 0.00 -0.52 0.00 0.00 55.73 55.59 3k4m s ARG 285 Cb 0.02 0.32 -0.04 0.00 0.52 0.00 0.00 34.95 35.78 3k4m s ARG 285 CO 0.22 -0.13 0.04 0.14 0.02 0.00 0.00 175.30 175.60 3k4m s VAL 286 N -0.20 4.54 -0.21 3.52 -7.23 -1.26 0.21 120.40 119.77 3k4m s VAL 286 Ca -0.04 -0.12 -0.19 0.00 -1.81 0.00 0.00 61.98 59.82 3k4m s VAL 286 Cb -0.03 -3.04 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 3k4m s VAL 286 CO 0.03 0.45 0.53 -0.69 -0.31 0.00 0.00 175.10 175.11 3k4m s VAL 287 N 0.50 5.09 -0.01 1.32 1.01 0.19 -4.73 120.40 123.77 3k4m s VAL 287 Ca 0.02 0.98 -0.18 0.00 0.00 0.00 0.00 61.98 62.79 3k4m s VAL 287 Cb -0.13 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 3k4m s VAL 287 CO 0.01 0.16 0.52 -0.13 0.00 0.00 0.00 175.10 175.66 3k4m s ARG 288 N 1.74 4.20 1.04 2.72 0.52 -1.26 -0.26 118.95 127.65 3k4m s ARG 288 Ca 0.24 0.59 -0.11 0.00 -0.52 0.00 0.00 55.73 55.93 3k4m s ARG 288 Cb -0.15 -3.31 0.21 0.00 0.52 0.00 0.00 34.95 32.21 3k4m s ARG 288 CO 0.10 0.45 1.06 0.27 0.02 0.00 0.00 175.30 177.20 3k4m n ASN 289 N 2.51 -0.66 0.08 0.23 6.94 -0.57 -4.89 115.26 118.90 3k4m n ASN 289 Ca -0.09 0.15 0.04 0.00 -0.02 0.00 0.00 54.58 54.66 3k4m n ASN 289 Cb 0.51 -1.37 0.44 0.00 -2.36 0.00 0.00 39.78 37.00 3k4m n ASN 289 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3k4m h ALA 290 N -2.26 1.68 0.00 -2.53 0.00 -1.98 -1.90 119.26 112.26 3k4m h ALA 290 Ca -0.52 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3k4m h ALA 290 Cb 1.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3k4m h ALA 290 CO 0.44 0.26 0.00 1.28 0.00 0.00 0.00 179.25 181.23 3k4m n LEU 291 N -4.42 0.00 -3.10 0.00 4.77 -1.26 -4.91 117.00 108.08 3k4m n LEU 291 Ca 0.01 0.47 -0.16 0.00 -0.03 0.00 0.00 56.01 56.30 3k4m n LEU 291 Cb 0.13 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 40.83 3k4m n LEU 291 CO 0.36 -0.04 0.13 0.59 -1.33 0.00 0.00 177.39 177.10 3k4m n ASN 292 N -1.47 -3.24 0.00 -1.43 3.02 -0.71 -4.88 115.26 106.54 3k4m n ASN 292 Ca 0.07 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 3k4m n ASN 292 Cb 0.30 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 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 -2.67 0.15 -3.56 6.41 3.41 -1.26 -4.51 113.62 111.60 3k4m n SER 293 Ca -0.17 -0.59 -0.17 0.00 -0.26 0.00 0.00 58.87 57.69 3k4m n SER 293 Cb 0.61 0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 64.64 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 -0.14 0.98 -0.11 4.33 2.12 -1.26 -1.79 118.70 122.84 3k4m s GLU 294 Ca 0.00 0.51 -0.13 0.00 0.36 0.00 0.00 54.97 55.71 3k4m s GLU 294 Cb 0.00 0.47 -0.05 0.00 0.26 0.00 0.00 34.13 34.81 3k4m s GLU 294 CO 0.00 -0.25 0.31 0.42 -0.54 0.00 0.00 175.26 175.20 3k4m s ILE 295 N -0.65 5.26 -0.77 -3.70 -1.09 -1.26 -1.52 121.20 117.47 3k4m s ILE 295 Ca -0.07 0.59 0.18 0.00 -2.23 0.00 0.00 60.65 59.11 3k4m s ILE 295 Cb -0.02 -3.63 -0.20 0.00 -1.58 0.00 0.00 42.46 37.04 3k4m s ILE 295 CO 0.07 0.47 0.72 -0.62 -1.23 0.00 0.00 174.94 174.35 3k4m n GLU 296 N 2.89 1.13 0.00 2.79 -0.58 0.64 -4.94 120.64 122.57 3k4m n GLU 296 Ca -0.13 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 3k4m n GLU 296 Cb 0.52 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 3k4m n GLU 296 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3k4m n SER 297 N -1.47 0.00 -4.26 1.62 3.41 -1.24 -4.68 113.62 107.00 3k4m n SER 297 Ca 0.03 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.30 3k4m n SER 297 Cb 0.29 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.09 3k4m n SER 297 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3k4m s LEU 298 N 0.00 2.50 -0.17 1.04 2.96 -0.59 0.53 118.68 124.95 3k4m s LEU 298 Ca 0.00 -0.47 -0.15 0.00 -0.22 0.00 0.00 54.13 53.28 3k4m s LEU 298 Cb 0.00 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 3k4m s LEU 298 CO 0.00 0.07 0.36 -2.28 -1.32 0.00 0.00 176.35 173.18 3k4m s HIS 299 N 0.92 3.44 0.17 5.38 5.65 0.13 -0.80 115.29 130.19 3k4m s HIS 299 Ca -0.03 0.65 0.07 0.00 0.25 0.00 0.00 55.06 56.00 3k4m s HIS 299 Cb -0.15 -2.44 -0.04 0.00 -1.18 0.00 0.00 32.58 28.77 3k4m s HIS 299 CO -0.02 0.14 -0.14 0.96 -0.65 0.00 0.00 174.74 175.03 3k4m s ILE 300 N 0.78 1.56 -0.22 0.89 -4.36 -0.04 -0.91 121.20 118.89 3k4m s ILE 300 Ca 0.19 -2.03 -0.02 0.00 -0.26 0.00 0.00 60.65 58.53 3k4m s ILE 300 Cb -0.14 -1.86 0.07 0.00 1.25 0.00 0.00 42.46 41.78 3k4m s ILE 300 CO 0.06 -0.54 0.03 -2.28 0.24 0.00 0.00 174.94 172.46 3k4m s HIS 301 N -2.69 1.36 -0.37 1.37 2.46 0.65 -2.28 115.29 115.79 3k4m s HIS 301 Ca 0.17 -1.14 -0.29 0.00 0.47 0.00 0.00 55.06 54.27 3k4m s HIS 301 Cb -0.02 -1.22 -0.00 0.00 -0.13 0.00 0.00 32.58 31.21 3k4m s HIS 301 CO 0.05 -0.68 1.51 0.34 -2.47 0.00 0.00 174.74 173.49 3k4m s ASP 302 N 1.74 6.27 0.46 9.88 -1.08 0.56 -0.69 116.67 133.81 3k4m s ASP 302 Ca -0.00 1.04 0.25 0.00 -0.52 0.00 0.00 52.55 53.32 3k4m s ASP 302 Cb -0.17 -2.54 0.99 0.00 -1.46 0.00 0.00 42.92 39.74 3k4m s ASP 302 CO -0.10 -1.45 1.85 -0.07 0.52 0.00 0.00 175.17 175.92 3k4m h LEU 303 N 12.37 0.00 0.02 -1.34 3.38 -1.25 0.30 115.31 128.78 3k4m h LEU 303 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3k4m h LEU 303 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3k4m h LEU 303 CO 1.06 0.20 -0.01 0.40 0.09 0.00 0.00 178.44 180.18 3k4m h ILE 304 N 0.00 1.28 0.00 1.22 1.08 -1.91 -3.35 117.51 115.83 3k4m h ILE 304 Ca -0.00 -1.86 -0.13 0.00 -0.39 0.00 0.00 64.86 62.48 3k4m h ILE 304 Cb 0.70 2.37 -0.02 0.00 -3.07 0.00 0.00 36.82 36.80 3k4m h ILE 304 CO 0.03 0.42 -0.73 0.77 -0.69 0.00 0.00 178.15 177.94 3k4m h SER 305 N -0.96 0.00 0.00 1.72 4.64 -1.93 -3.47 113.55 113.54 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 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3k4m h SER 305 CO 0.00 0.60 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 3k4m n GLY 306 N 1.27 0.96 3.75 -0.77 0.00 0.11 -5.04 105.19 105.47 3k4m n GLY 306 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.97 7.55 -0.15 1.61 1.01 -1.23 -4.73 116.67 117.75 3k4m s ASP 307 Ca 0.00 2.02 -0.08 0.00 0.71 0.00 0.00 52.55 55.20 3k4m s ASP 307 Cb 0.00 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 3k4m s ASP 307 CO 0.00 0.08 0.12 -0.13 0.21 0.00 0.00 175.17 175.45 3k4m s ARG 308 N -1.17 3.73 0.31 8.23 0.52 -1.26 -0.32 118.95 128.98 3k4m s ARG 308 Ca 0.42 -0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.46 3k4m s ARG 308 Cb -0.27 -3.25 -0.05 0.00 0.52 0.00 0.00 34.95 31.90 3k4m s ARG 308 CO 0.34 0.56 0.10 -0.06 0.02 0.00 0.00 175.30 176.25 3k4m s PHE 309 N -0.39 1.74 0.04 -0.53 0.08 -0.97 -4.98 117.98 112.98 3k4m s PHE 309 Ca 0.11 -1.14 0.08 0.00 0.12 0.00 0.00 56.93 56.10 3k4m s PHE 309 Cb -0.12 -1.08 -0.03 0.00 -0.57 0.00 0.00 43.02 41.22 3k4m s PHE 309 CO 0.01 -0.23 -0.20 -1.21 -0.10 0.00 0.00 175.22 173.50 3k4m s GLU 310 N -3.90 2.00 -0.11 0.44 0.41 -1.26 -0.86 118.70 115.41 3k4m s GLU 310 Ca 0.35 -1.02 0.03 0.00 -0.41 0.00 0.00 54.97 53.92 3k4m s GLU 310 Cb 0.07 -2.13 0.01 0.00 -1.78 0.00 0.00 34.13 30.29 3k4m s GLU 310 CO 0.15 0.53 -0.19 0.42 -0.49 0.00 0.00 175.26 175.69 3k4m s ILE 311 N -0.90 1.72 -0.02 -1.63 -1.09 0.02 -4.91 121.20 114.39 3k4m s ILE 311 Ca 0.14 -0.79 -0.05 0.00 -2.23 0.00 0.00 60.65 57.71 3k4m s ILE 311 Cb -0.10 -1.53 -0.04 0.00 -1.58 0.00 0.00 42.46 39.20 3k4m s ILE 311 CO 0.04 0.48 0.22 -0.75 -1.23 0.00 0.00 174.94 173.71 3k4m s LYS 312 N 0.74 3.51 0.13 2.79 2.47 -1.26 -1.54 119.74 126.57 3k4m s LYS 312 Ca -0.11 -0.16 -0.12 0.00 -1.56 0.00 0.00 55.97 54.02 3k4m s LYS 312 Cb -0.16 -3.11 0.01 0.00 -1.46 0.00 0.00 37.83 33.12 3k4m s LYS 312 CO 0.02 0.68 0.32 0.00 0.16 0.00 0.00 175.35 176.53 3k4m s ALA 313 N -1.26 -0.50 0.13 3.13 0.00 -1.26 -2.45 121.76 119.55 3k4m s ALA 313 Ca 0.25 -0.43 -0.07 0.00 0.00 0.00 0.00 51.96 51.71 3k4m s ALA 313 Cb -0.13 0.67 -0.09 0.00 0.00 0.00 0.00 23.12 23.57 3k4m s ALA 313 CO 0.15 -0.61 1.31 -0.44 0.00 0.00 0.00 175.76 176.17 3k4m h ASP 314 N 2.52 0.66 -3.68 0.00 3.32 -1.20 -3.46 116.42 114.57 3k4m h ASP 314 Ca -0.33 -0.49 -0.37 0.00 0.02 0.00 0.00 57.03 55.86 3k4m h ASP 314 Cb 1.23 -0.20 -0.31 0.00 0.22 0.00 0.00 39.33 40.27 3k4m h ASP 314 CO 0.49 1.27 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.83 3k4m s VAL 315 N -3.44 0.47 -0.18 -1.35 1.01 -0.56 -4.78 120.40 111.57 3k4m s VAL 315 Ca -0.07 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.75 3k4m s VAL 315 Cb 0.09 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 36.04 3k4m s VAL 315 CO 0.88 0.18 -0.16 -0.31 0.00 0.00 0.00 175.10 175.69 3k4m s TYR 316 N 0.44 2.61 -0.18 5.22 1.51 -0.07 -1.07 117.35 125.81 3k4m s TYR 316 Ca -0.05 -1.60 -0.02 0.00 -1.01 0.00 0.00 57.07 54.38 3k4m s TYR 316 Cb -0.09 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 3k4m s TYR 316 CO -0.00 -0.77 -0.08 0.08 -1.11 0.00 0.00 175.55 173.67 3k4m s VAL 317 N 1.34 3.25 -0.28 0.71 1.01 0.20 -0.70 120.40 125.91 3k4m s VAL 317 Ca 0.02 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 3k4m s VAL 317 Cb -0.14 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3k4m s VAL 317 CO -0.11 0.47 0.14 -0.76 0.00 0.00 0.00 175.10 174.84 3k4m s LEU 318 N 0.96 3.89 -0.31 3.92 1.43 0.65 -0.64 118.68 128.57 3k4m s LEU 318 Ca -0.01 -0.30 0.16 0.00 -1.03 0.00 0.00 54.13 52.95 3k4m s LEU 318 Cb -0.15 -2.01 0.47 0.00 0.03 0.00 0.00 46.19 44.53 3k4m s LEU 318 CO -0.00 -0.11 1.07 0.35 0.23 0.00 0.00 176.35 177.89 3k4m n THR 319 N 4.99 1.56 0.10 5.49 -2.24 -0.07 -1.01 114.28 123.10 3k4m n THR 319 Ca -0.15 -3.49 0.01 0.00 -2.27 0.00 0.00 64.05 58.15 3k4m n THR 319 Cb 0.51 0.30 0.17 0.00 -2.10 0.00 0.00 70.33 69.20 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 -0.43 3.28 0.00 6.98 0.00 -1.14 -4.49 120.51 124.71 3k4m n ALA 320 Ca 0.19 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3k4m n ALA 320 Cb 0.81 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3k4m n ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4m n GLY 321 N 0.20 -1.32 0.27 0.00 0.00 -1.26 -3.83 105.19 99.24 3k4m n GLY 321 Ca 0.15 -1.59 0.15 0.00 0.00 0.00 0.00 46.02 44.74 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 1.02 0.05 4.61 0.00 -1.92 -1.93 119.26 121.09 3k4m h ALA 322 Ca 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 3k4m h ALA 322 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3k4m h ALA 322 CO 0.00 0.08 -1.76 0.28 0.00 0.00 0.00 179.25 177.84 3k4m n VAL 323 N -3.19 1.63 0.15 0.00 0.31 -1.26 -4.07 118.33 111.89 3k4m n VAL 323 Ca 0.00 -0.35 0.02 0.00 -0.01 0.00 0.00 64.34 64.00 3k4m n VAL 323 Cb 0.32 -1.86 0.14 0.00 -0.91 0.00 0.00 33.84 31.53 3k4m n VAL 323 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3k4m h HIS 324 N -0.51 0.00 -0.22 3.52 -0.00 -1.65 -0.33 115.15 115.97 3k4m h HIS 324 Ca -0.43 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 59.97 3k4m h HIS 324 Cb 1.66 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 29.05 3k4m h HIS 324 CO 0.07 0.55 0.04 -0.91 -0.00 0.00 0.00 177.93 177.67 3k4m h ASN 325 N 0.00 0.01 -0.19 2.45 2.35 -1.46 -0.43 115.58 118.30 3k4m h ASN 325 Ca -0.01 0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 3k4m h ASN 325 Cb 1.23 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.63 3k4m h ASN 325 CO 0.07 0.04 -0.20 0.74 -1.65 0.00 0.00 177.43 176.42 3k4m h THR 326 N 0.13 1.26 -0.35 2.81 2.02 -1.65 0.31 112.91 117.44 3k4m h THR 326 Ca 0.10 -1.25 -0.05 0.00 0.77 0.00 0.00 66.41 65.98 3k4m h THR 326 Cb 0.10 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3k4m h THR 326 CO -0.13 0.41 0.02 -0.61 0.37 0.00 0.00 175.52 175.58 3k4m h GLN 327 N 0.56 0.60 -0.12 6.66 4.15 -0.89 -1.39 115.11 124.67 3k4m h GLN 327 Ca 0.09 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 3k4m h GLN 327 Cb 0.66 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 3k4m h GLN 327 CO 0.05 0.70 0.03 1.25 -1.93 0.00 0.00 178.83 178.93 3k4m h LEU 328 N 0.41 0.19 -0.32 -2.39 5.85 -0.61 -0.22 115.31 118.21 3k4m h LEU 328 Ca 0.10 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.64 3k4m h LEU 328 Cb 0.42 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3k4m h LEU 328 CO 0.01 0.37 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.41 3k4m h LEU 329 N -0.00 -0.15 -1.33 2.25 3.38 -0.35 -2.18 115.31 116.93 3k4m h LEU 329 Ca 0.04 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3k4m h LEU 329 Cb 0.26 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3k4m h LEU 329 CO 0.00 -0.04 -0.28 0.58 0.09 0.00 0.00 178.44 178.79 3k4m h VAL 330 N 0.08 1.22 0.00 1.22 2.07 -1.07 -0.14 116.25 119.64 3k4m h VAL 330 Ca 0.16 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3k4m h VAL 330 Cb 0.21 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3k4m h VAL 330 CO -0.27 0.31 0.00 -3.20 0.02 0.00 0.00 177.57 174.43 3k4m n ASN 331 N -4.18 0.33 -1.23 0.57 5.15 -0.11 -2.93 115.26 112.87 3k4m n ASN 331 Ca -0.02 0.58 0.08 0.00 -0.60 0.00 0.00 54.58 54.62 3k4m n ASN 331 Cb 0.35 -0.65 0.29 0.00 -0.53 0.00 0.00 39.78 39.24 3k4m n ASN 331 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3k4m n SER 332 N -1.86 4.20 0.00 1.20 7.64 -0.10 -4.88 113.62 119.82 3k4m n SER 332 Ca 0.03 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.40 3k4m n SER 332 Cb 0.21 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 3k4m n SER 332 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4m n GLY 333 N 0.58 0.75 3.83 0.23 0.00 -1.14 -4.75 105.19 104.68 3k4m n GLY 333 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.73 3.36 0.00 1.61 0.40 -0.98 -4.65 117.98 114.99 3k4m s PHE 334 Ca 0.00 1.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.82 3k4m s PHE 334 Cb 0.00 -2.75 0.00 0.00 0.51 0.00 0.00 43.02 40.78 3k4m s PHE 334 CO 0.00 -0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.32 3k4m n GLY 335 N -0.43 1.47 2.93 4.36 0.00 -0.46 -3.95 105.19 109.11 3k4m n GLY 335 Ca 0.05 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 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 1.32 0.39 1.61 0.74 -1.26 -4.59 119.66 117.86 3k4m s GLN 336 Ca 0.00 -0.24 -0.17 0.00 0.05 0.00 0.00 55.36 55.01 3k4m s GLN 336 Cb 0.00 -1.27 -0.09 0.00 1.10 0.00 0.00 33.01 32.75 3k4m s GLN 336 CO 0.00 -0.12 0.84 -1.17 -0.55 0.00 0.00 175.29 174.30 3k4m s LEU 337 N 1.15 3.94 0.00 3.68 2.96 -1.26 -4.73 118.68 124.42 3k4m s LEU 337 Ca -0.06 1.45 0.00 0.00 -0.22 0.00 0.00 54.13 55.29 3k4m s LEU 337 Cb -0.14 -4.29 0.00 0.00 0.50 0.00 0.00 46.19 42.26 3k4m s LEU 337 CO -0.01 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.30 3k4m n GLY 338 N -0.70 -2.05 3.70 7.98 0.00 0.94 -4.86 105.19 110.20 3k4m n GLY 338 Ca 0.05 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 3k4m n GLY 338 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k4m n ARG 339 N -1.42 2.64 -1.65 1.61 0.63 -1.26 -4.50 116.66 112.71 3k4m n ARG 339 Ca 0.00 0.96 -0.44 0.00 -0.92 0.00 0.00 57.85 57.45 3k4m n ARG 339 Cb 0.12 -2.80 -0.02 0.00 0.45 0.00 0.00 32.46 30.21 3k4m n ARG 339 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3k4m n PRO 340 N 4.39 1.79 -3.59 -0.14 -0.02 -1.26 -4.98 135.00 131.19 3k4m n PRO 340 Ca 0.17 0.63 -0.25 0.00 -2.02 0.00 0.00 63.50 62.03 3k4m n PRO 340 Cb 0.34 -2.15 -0.16 0.00 -0.02 0.00 0.00 33.50 31.51 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 -0.24 2.25 0.00 2.55 3.04 -1.26 -5.01 114.94 116.26 3k4m s ASN 341 Ca 0.60 -0.58 0.30 0.00 0.04 0.00 0.00 52.86 53.22 3k4m s ASN 341 Cb -0.65 -0.14 1.75 0.00 -1.54 0.00 0.00 41.25 40.67 3k4m s ASN 341 CO 0.58 -0.35 2.13 -2.65 -3.04 0.00 0.00 177.10 173.77 3k4m n PRO 342 N 5.28 1.02 0.00 0.43 -0.02 -1.26 -2.04 135.00 138.41 3k4m n PRO 342 Ca -0.07 -0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.52 3k4m n PRO 342 Cb 0.49 -1.46 0.33 0.00 -0.02 0.00 0.00 33.50 32.83 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 -0.94 3.31 -3.76 3.55 0.00 -1.26 -4.44 120.51 116.97 3k4m n ALA 343 Ca 0.22 -0.32 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 3k4m n ALA 343 Cb 0.11 -1.18 -0.15 0.00 0.00 0.00 0.00 19.45 18.23 3k4m n ALA 343 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3k4m s ASN 344 N -2.94 4.09 0.30 0.00 0.01 -0.86 -5.13 114.94 110.41 3k4m s ASN 344 Ca 0.13 -1.72 -0.18 0.00 -0.71 0.00 0.00 52.86 50.38 3k4m s ASN 344 Cb 0.18 -0.94 -0.09 0.00 0.41 0.00 0.00 41.25 40.81 3k4m s ASN 344 CO 0.65 -0.41 0.76 -2.16 -1.51 0.00 0.00 177.10 174.44 3k4m s PRO 345 N 1.51 4.14 0.46 -0.60 0.04 -1.26 -4.67 135.00 134.63 3k4m s PRO 345 Ca 0.10 0.82 -0.24 0.00 0.04 0.00 0.00 61.00 61.72 3k4m s PRO 345 Cb -0.18 -2.58 -0.07 0.00 0.04 0.00 0.00 34.50 31.71 3k4m s PRO 345 CO -0.23 0.23 1.27 -1.25 0.04 0.00 0.00 177.00 177.06 3k4m s PRO 346 N -2.60 3.67 0.09 0.56 0.04 -1.26 -4.95 135.00 130.55 3k4m s PRO 346 Ca 0.51 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.33 3k4m s PRO 346 Cb -0.13 -2.50 -0.14 0.00 0.04 0.00 0.00 34.50 31.77 3k4m s PRO 346 CO 0.19 -0.70 1.69 1.49 0.04 0.00 0.00 177.00 179.70 3k4m h GLU 347 N 2.13 -0.35 -6.09 4.56 4.81 -1.90 -3.44 114.58 114.30 3k4m h GLU 347 Ca -0.50 0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 58.09 3k4m h GLU 347 Cb 1.26 0.08 -0.14 0.00 0.63 0.00 0.00 28.75 30.58 3k4m h GLU 347 CO 0.60 -0.23 -0.63 -0.51 -0.73 0.00 0.00 179.01 177.51 3k4m s LEU 348 N -10.18 3.55 -0.62 1.64 1.43 -1.26 -4.85 118.68 108.39 3k4m s LEU 348 Ca -0.15 0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 52.80 3k4m s LEU 348 Cb 0.06 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.33 3k4m s LEU 348 CO 0.65 0.31 0.64 0.18 0.23 0.00 0.00 176.35 178.36 3k4m n LEU 349 N 1.61 -3.01 0.33 1.79 4.77 -1.26 -1.35 117.00 119.87 3k4m n LEU 349 Ca -0.16 -0.42 0.22 0.00 -0.03 0.00 0.00 56.01 55.62 3k4m n LEU 349 Cb 0.53 -1.88 1.14 0.00 -2.33 0.00 0.00 43.42 40.87 3k4m n LEU 349 CO 0.32 -0.13 1.16 -0.65 -1.33 0.00 0.00 177.39 176.77 3k4m h PRO 350 N 1.03 0.00 -0.07 3.23 0.11 -1.89 -2.82 132.00 131.60 3k4m h PRO 350 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3k4m h PRO 350 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3k4m h PRO 350 CO 0.29 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.51 3k4m n SER 351 N -3.14 1.96 -4.69 -2.05 7.64 -1.26 -4.88 113.62 107.20 3k4m n SER 351 Ca -0.03 -1.67 -0.42 0.00 1.01 0.00 0.00 58.87 57.76 3k4m n SER 351 Cb 0.10 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.90 4.34 0.00 -3.43 2.96 -1.06 -2.07 118.68 117.52 3k4m s LEU 352 Ca 0.35 2.26 0.00 0.00 -0.22 0.00 0.00 54.13 56.52 3k4m s LEU 352 Cb 0.20 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.33 3k4m s LEU 352 CO 0.31 -0.75 0.00 0.61 -1.32 0.00 0.00 176.35 175.20 3k4m n GLY 353 N 3.71 0.86 3.85 7.98 0.00 0.18 -4.85 105.19 116.92 3k4m n GLY 353 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.01 4.85 -1.49 1.61 0.01 -0.88 -0.02 113.70 114.77 3k4m s SER 354 Ca 0.00 -0.88 -0.12 0.00 1.31 0.00 0.00 55.95 56.26 3k4m s SER 354 Cb 0.00 -0.43 0.07 0.00 0.21 0.00 0.00 66.02 65.87 3k4m s SER 354 CO 0.00 -0.68 0.88 -1.22 0.41 0.00 0.00 173.24 172.63 3k4m n TYR 355 N -1.50 -2.22 -2.67 2.43 4.02 -0.70 -4.59 117.16 111.92 3k4m n TYR 355 Ca 0.02 0.80 -0.36 0.00 -0.01 0.00 0.00 57.90 58.35 3k4m n TYR 355 Cb 0.63 -3.90 -0.05 0.00 -0.02 0.00 0.00 39.34 35.99 3k4m n TYR 355 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3k4m s ILE 356 N -3.23 4.00 -0.09 -0.72 -4.36 -0.71 -4.41 121.20 111.68 3k4m s ILE 356 Ca 0.59 1.52 0.04 0.00 -0.26 0.00 0.00 60.65 62.54 3k4m s ILE 356 Cb -0.29 -3.78 -0.01 0.00 1.25 0.00 0.00 42.46 39.63 3k4m s ILE 356 CO 0.73 0.00 -0.23 0.42 0.24 0.00 0.00 174.94 176.10 3k4m s THR 357 N -1.73 2.22 0.08 8.37 -4.23 -0.26 -4.57 115.64 115.52 3k4m s THR 357 Ca 0.56 -0.98 0.07 0.00 -1.18 0.00 0.00 61.69 60.16 3k4m s THR 357 Cb -0.19 -1.84 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 3k4m s THR 357 CO 0.24 0.56 -0.19 -0.70 -0.54 0.00 0.00 174.62 173.99 3k4m s GLU 358 N 0.12 1.09 0.27 3.99 2.56 -1.26 -0.10 118.70 125.36 3k4m s GLU 358 Ca -0.11 -1.04 -0.20 0.00 0.00 0.00 0.00 54.97 53.62 3k4m s GLU 358 Cb -0.16 -1.25 -0.09 0.00 2.00 0.00 0.00 34.13 34.63 3k4m s GLU 358 CO 0.06 0.30 0.77 -0.65 -0.56 0.00 0.00 175.26 175.18 3k4m s GLN 359 N -1.66 4.24 0.29 4.30 -0.21 -1.26 -4.59 119.66 120.78 3k4m s GLN 359 Ca 0.04 0.91 -0.29 0.00 0.02 0.00 0.00 55.36 56.04 3k4m s GLN 359 Cb -0.10 -2.72 -0.10 0.00 1.00 0.00 0.00 33.01 31.09 3k4m s GLN 359 CO 0.03 0.30 1.25 -1.12 -2.12 0.00 0.00 175.29 173.62 3k4m s SER 360 N -1.82 6.94 -0.08 5.90 0.01 -1.25 -4.67 113.70 118.73 3k4m s SER 360 Ca 0.48 2.51 0.01 0.00 1.31 0.00 0.00 55.95 60.26 3k4m s SER 360 Cb -0.15 -2.64 0.02 0.00 0.21 0.00 0.00 66.02 63.46 3k4m s SER 360 CO 0.20 -0.42 -0.10 -0.22 0.41 0.00 0.00 173.24 173.11 3k4m s LEU 361 N -1.36 1.47 0.15 2.44 2.96 -1.26 -0.05 118.68 123.02 3k4m s LEU 361 Ca 0.49 -0.28 0.09 0.00 -0.22 0.00 0.00 54.13 54.21 3k4m s LEU 361 Cb -0.37 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 3k4m s LEU 361 CO 0.47 -0.02 -0.13 0.68 -1.32 0.00 0.00 176.35 176.02 3k4m s VAL 362 N 1.01 3.04 -0.10 1.68 -7.23 -0.06 -1.81 120.40 116.93 3k4m s VAL 362 Ca -0.08 -1.60 -0.08 0.00 -1.81 0.00 0.00 61.98 58.42 3k4m s VAL 362 Cb -0.15 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.37 3k4m s VAL 362 CO -0.00 -0.02 0.26 0.12 -0.31 0.00 0.00 175.10 175.14 3k4m s PHE 363 N -1.48 -0.31 0.26 2.82 5.36 -0.62 -1.31 117.98 122.70 3k4m s PHE 363 Ca 0.22 0.75 -0.07 0.00 -0.96 0.00 0.00 56.93 56.87 3k4m s PHE 363 Cb -0.09 0.09 -0.01 0.00 -0.34 0.00 0.00 43.02 42.66 3k4m s PHE 363 CO 0.13 -0.18 0.38 0.00 -1.46 0.00 0.00 175.22 174.09 3k4m s GLN 365 N -3.81 1.40 0.11 0.00 -0.21 -0.81 -0.45 119.66 115.89 3k4m s GLN 365 Ca 0.29 -1.46 0.04 0.00 0.02 0.00 0.00 55.36 54.25 3k4m s GLN 365 Cb 0.01 -1.59 -0.04 0.00 1.00 0.00 0.00 33.01 32.39 3k4m s GLN 365 CO 0.13 0.34 -0.10 0.95 -2.12 0.00 0.00 175.29 174.48 3k4m s THR 366 N -1.84 1.03 -0.28 -0.19 -4.23 -0.26 -0.64 115.64 109.23 3k4m s THR 366 Ca 0.18 -1.80 -0.08 0.00 -1.18 0.00 0.00 61.69 58.82 3k4m s THR 366 Cb -0.07 -1.55 -0.01 0.00 1.34 0.00 0.00 72.50 72.21 3k4m s THR 366 CO 0.08 -0.62 0.09 -0.69 -0.54 0.00 0.00 174.62 172.94 3k4m s VAL 367 N -2.76 4.22 0.19 2.29 1.01 -0.69 -1.76 120.40 122.90 3k4m s VAL 367 Ca 0.10 -0.44 -0.32 0.00 0.00 0.00 0.00 61.98 61.32 3k4m s VAL 367 Cb -0.01 -3.09 -0.15 0.00 0.00 0.00 0.00 36.38 33.13 3k4m s VAL 367 CO 0.00 0.18 1.25 0.80 0.00 0.00 0.00 175.10 177.33 3k4m n MET 368 N 4.91 1.43 -1.61 2.72 1.56 0.14 -3.71 117.12 122.57 3k4m n MET 368 Ca -0.15 0.51 -0.40 0.00 -0.27 0.00 0.00 57.70 57.39 3k4m n MET 368 Cb 0.50 -2.06 0.02 0.00 2.15 0.00 0.00 33.22 33.82 3k4m n MET 368 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 3k4m n SER 369 N 2.10 1.05 -0.10 6.12 3.41 -0.29 -4.86 113.62 121.06 3k4m n SER 369 Ca 0.14 0.96 -0.08 0.00 -0.26 0.00 0.00 58.87 59.63 3k4m n SER 369 Cb 0.26 -1.36 -0.02 0.00 -0.26 0.00 0.00 64.21 62.84 3k4m n SER 369 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3k4m h THR 370 N 1.23 0.23 -0.60 6.66 2.02 -1.91 -1.88 112.91 118.67 3k4m h THR 370 Ca -0.46 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.83 3k4m h THR 370 Cb 1.35 0.23 -0.11 0.00 -1.74 0.00 0.00 68.15 67.87 3k4m h THR 370 CO 0.55 0.00 -0.34 -0.33 0.37 0.00 0.00 175.52 175.76 3k4m h GLU 371 N -0.28 -0.16 -0.56 6.66 5.08 -1.97 -1.04 114.58 122.31 3k4m h GLU 371 Ca 0.16 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3k4m h GLU 371 Cb 0.54 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 3k4m h GLU 371 CO -0.51 -0.11 0.33 -0.07 -1.00 0.00 0.00 179.01 177.65 3k4m h LEU 372 N -0.17 0.68 -1.25 1.33 3.38 -1.84 0.11 115.31 117.55 3k4m h LEU 372 Ca 0.23 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3k4m h LEU 372 Cb 0.55 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3k4m h LEU 372 CO -0.69 0.54 0.51 0.40 0.09 0.00 0.00 178.44 179.30 3k4m h ILE 373 N 0.75 1.17 0.00 1.22 1.08 -0.54 -0.93 117.51 120.27 3k4m h ILE 373 Ca 0.20 -0.35 -0.11 0.00 -0.39 0.00 0.00 64.86 64.22 3k4m h ILE 373 Cb -0.01 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 33.80 3k4m h ILE 373 CO -0.04 0.18 -0.51 0.44 -0.69 0.00 0.00 178.15 177.54 3k4m h ASP 374 N 1.01 0.00 0.08 1.72 3.32 -0.62 -2.82 116.42 119.12 3k4m h ASP 374 Ca 0.30 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.31 3k4m h ASP 374 Cb -0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3k4m h ASP 374 CO -0.07 0.51 -0.12 0.77 -1.72 0.00 0.00 179.24 178.60 3k4m h SER 375 N 0.00 0.09 -0.81 6.45 4.64 0.38 -2.82 113.55 121.48 3k4m h SER 375 Ca -0.01 -0.01 0.13 0.00 -0.47 0.00 0.00 61.79 61.43 3k4m h SER 375 Cb 1.13 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.14 3k4m h SER 375 CO 0.07 0.23 0.53 0.58 -0.87 0.00 0.00 176.83 177.37 3k4m h VAL 376 N 0.09 0.86 -0.25 0.95 2.07 -1.13 -1.75 116.25 117.08 3k4m h VAL 376 Ca 0.02 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 3k4m h VAL 376 Cb 0.28 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 3k4m h VAL 376 CO 0.02 0.11 -0.09 2.29 0.02 0.00 0.00 177.57 179.92 3k4m n LYS 377 N -4.52 2.04 0.04 1.57 2.85 -1.08 -4.73 118.16 114.33 3k4m n LYS 377 Ca 0.15 -3.03 0.05 0.00 -1.05 0.00 0.00 58.31 54.43 3k4m n LYS 377 Cb 0.44 -1.77 0.22 0.00 -0.65 0.00 0.00 35.03 33.28 3k4m n LYS 377 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3k4m n SER 378 N -1.00 0.17 -0.17 -5.58 3.41 -0.66 -2.52 113.62 107.27 3k4m n SER 378 Ca 0.27 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.52 3k4m n SER 378 Cb 0.92 -0.59 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 3k4m n SER 378 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3k4m n ASP 379 N -1.72 1.15 -4.80 4.04 8.00 -1.26 -4.89 116.55 117.07 3k4m n ASP 379 Ca 0.01 -1.08 -0.39 0.00 0.71 0.00 0.00 54.79 54.04 3k4m n ASP 379 Cb 0.06 0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 41.85 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 -2.20 4.28 -0.23 -1.24 -1.94 -1.05 -4.56 119.30 112.37 3k4m s MET 380 Ca 0.09 0.83 -0.08 0.00 -1.71 0.00 0.00 55.69 54.82 3k4m s MET 380 Cb 0.12 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.68 3k4m s MET 380 CO 0.53 0.62 0.10 0.95 -0.01 0.00 0.00 175.02 177.21 3k4m s THR 381 N -1.10 4.76 -0.26 2.05 -4.23 0.38 -4.91 115.64 112.32 3k4m s THR 381 Ca 0.30 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 3k4m s THR 381 Cb -0.20 -3.21 0.08 0.00 1.34 0.00 0.00 72.50 70.51 3k4m s THR 381 CO 0.21 0.36 0.02 -0.63 -0.54 0.00 0.00 174.62 174.03 3k4m s ILE 382 N 1.18 1.26 0.12 2.99 1.01 -1.26 -1.47 121.20 125.04 3k4m s ILE 382 Ca 0.05 -1.30 0.07 0.00 0.00 0.00 0.00 60.65 59.47 3k4m s ILE 382 Cb -0.14 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 3k4m s ILE 382 CO 0.04 -0.35 -0.09 -0.13 0.00 0.00 0.00 174.94 174.42 3k4m s ARG 383 N 1.48 2.15 0.00 2.79 0.52 -0.80 -5.00 118.95 120.09 3k4m s ARG 383 Ca 0.02 -1.06 0.00 0.00 -0.52 0.00 0.00 55.73 54.17 3k4m s ARG 383 Cb -0.18 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 32.99 3k4m s ARG 383 CO -0.12 0.50 0.00 0.41 0.02 0.00 0.00 175.30 176.10 3k4m n GLY 384 N 0.54 0.00 3.10 -3.53 0.00 -1.26 -1.11 105.19 102.94 3k4m n GLY 384 Ca -0.13 -1.98 -0.06 0.00 0.00 0.00 0.00 46.02 43.84 3k4m n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k4m s THR 385 N 0.00 -0.70 0.14 2.61 2.01 -1.26 -4.95 115.64 113.49 3k4m s THR 385 Ca 0.00 0.02 -0.31 0.00 0.31 0.00 0.00 61.69 61.71 3k4m s THR 385 Cb 0.00 -0.81 -0.18 0.00 0.01 0.00 0.00 72.50 71.53 3k4m s THR 385 CO 0.00 -0.04 0.67 -2.65 -0.69 0.00 0.00 174.62 171.91 3k4m n PRO 386 N 5.39 0.00 0.00 4.92 -0.02 -1.26 -1.80 135.00 142.23 3k4m n PRO 386 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3k4m n PRO 386 Cb 0.50 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 3k4m n PRO 386 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 387 N 1.83 2.49 4.02 -1.23 0.00 -1.26 -4.99 105.19 106.05 3k4m n GLY 387 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.98 2.18 -0.01 1.61 2.02 -0.74 -5.03 118.70 117.75 3k4m s GLU 388 Ca 0.00 -1.42 -0.21 0.00 0.02 0.00 0.00 54.97 53.36 3k4m s GLU 388 Cb 0.00 -2.56 -0.22 0.00 0.10 0.00 0.00 34.13 31.44 3k4m s GLU 388 CO 0.00 -0.97 1.10 -0.07 0.02 0.00 0.00 175.26 175.34 3k4m h LEU 389 N 0.01 0.42 0.00 1.80 -0.00 -1.97 -3.32 115.31 112.25 3k4m h LEU 389 Ca -0.33 -0.74 0.00 0.00 -0.00 0.00 0.00 57.88 56.81 3k4m h LEU 389 Cb 1.28 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 3k4m h LEU 389 CO 0.41 1.10 0.00 0.35 -0.00 0.00 0.00 178.44 180.30 3k4m n THR 390 N -4.35 1.06 -1.97 0.22 -2.24 -1.26 -4.82 114.28 100.93 3k4m n THR 390 Ca -0.10 0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.53 3k4m n THR 390 Cb 0.58 -1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 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 -2.88 2.57 -0.05 4.78 5.04 -1.25 -4.54 117.35 121.02 3k4m s TYR 391 Ca 0.07 0.43 0.01 0.00 -2.44 0.00 0.00 57.07 55.14 3k4m s TYR 391 Cb 0.08 -3.92 0.02 0.00 0.35 0.00 0.00 41.96 38.49 3k4m s TYR 391 CO 0.20 -3.61 -0.05 0.45 -1.34 0.00 0.00 175.55 171.20 3k4m s SER 392 N 2.16 1.01 -0.14 4.32 0.15 -0.27 -4.98 113.70 115.96 3k4m s SER 392 Ca 0.72 -0.14 0.01 0.00 0.70 0.00 0.00 55.95 57.24 3k4m s SER 392 Cb -0.39 -0.47 0.02 0.00 -1.71 0.00 0.00 66.02 63.47 3k4m s SER 392 CO 0.31 -0.05 -0.14 -0.69 1.20 0.00 0.00 173.24 173.87 3k4m s VAL 393 N 0.92 1.54 0.06 4.45 1.01 -1.26 -1.91 120.40 125.20 3k4m s VAL 393 Ca -0.11 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 3k4m s VAL 393 Cb -0.14 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 3k4m s VAL 393 CO 0.00 0.45 0.03 0.42 0.00 0.00 0.00 175.10 176.01 3k4m s THR 394 N 1.38 0.19 -0.05 3.92 -4.23 -0.54 -4.95 115.64 111.36 3k4m s THR 394 Ca 0.02 -1.58 -0.12 0.00 -1.18 0.00 0.00 61.69 58.84 3k4m s THR 394 Cb -0.13 -1.40 0.02 0.00 1.34 0.00 0.00 72.50 72.33 3k4m s THR 394 CO -0.08 -0.87 0.27 -0.72 -0.54 0.00 0.00 174.62 172.68 3k4m s TYR 395 N -3.75 -0.21 -0.44 3.99 1.13 -1.26 0.14 117.35 116.95 3k4m s TYR 395 Ca 0.05 0.43 -0.22 0.00 -1.41 0.00 0.00 57.07 55.92 3k4m s TYR 395 Cb 0.06 0.08 0.02 0.00 -1.10 0.00 0.00 41.96 41.02 3k4m s TYR 395 CO -0.10 -0.27 0.71 0.95 -2.51 0.00 0.00 175.55 174.34 3k4m s THR 396 N -0.69 4.74 0.54 -3.49 -4.23 -1.26 -5.03 115.64 106.22 3k4m s THR 396 Ca -0.08 0.27 -0.21 0.00 -1.18 0.00 0.00 61.69 60.50 3k4m s THR 396 Cb -0.04 -4.26 -0.06 0.00 1.34 0.00 0.00 72.50 69.47 3k4m s THR 396 CO 0.02 -0.66 1.07 -2.65 -0.54 0.00 0.00 174.62 171.86 3k4m n PRO 397 N 6.49 1.21 -1.25 3.99 -0.02 -1.26 -2.88 135.00 141.28 3k4m n PRO 397 Ca 0.00 0.45 -0.11 0.00 -2.02 0.00 0.00 63.50 61.82 3k4m n PRO 397 Cb 0.48 -2.23 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 3k4m n PRO 397 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 398 N 1.14 1.06 3.76 -1.23 0.00 -1.26 -4.92 105.19 103.73 3k4m n GLY 398 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3k4m n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m s ALA 399 N -1.87 2.91 0.45 4.61 0.00 -1.14 -4.90 121.76 121.82 3k4m s ALA 399 Ca 0.00 1.20 0.14 0.00 0.00 0.00 0.00 51.96 53.29 3k4m s ALA 399 Cb 0.00 -3.50 1.06 0.00 0.00 0.00 0.00 23.12 20.68 3k4m s ALA 399 CO 0.00 -1.09 2.03 0.66 0.00 0.00 0.00 175.76 177.35 3k4m h SER 400 N 1.75 0.30 0.07 0.00 4.64 -1.92 -2.88 113.55 115.51 3k4m h SER 400 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3k4m h SER 400 Cb 1.28 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3k4m h SER 400 CO 0.59 0.19 -0.66 0.35 -0.87 0.00 0.00 176.83 176.43 3k4m n THR 401 N -4.47 0.00 -1.66 2.95 -2.24 -1.26 -4.88 114.28 102.72 3k4m n THR 401 Ca 0.06 -0.12 -0.49 0.00 -2.27 0.00 0.00 64.05 61.23 3k4m n THR 401 Cb 0.27 0.95 -0.05 0.00 -2.10 0.00 0.00 70.33 69.41 3k4m n THR 401 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3k4m n ASN 402 N -0.82 2.71 0.04 3.42 3.02 -1.09 -4.87 115.26 117.67 3k4m n ASN 402 Ca 0.07 1.07 0.13 0.00 -0.03 0.00 0.00 54.58 55.82 3k4m n ASN 402 Cb 0.39 -1.32 0.51 0.00 -0.61 0.00 0.00 39.78 38.74 3k4m n ASN 402 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3k4m n LYS 403 N 4.03 0.09 -4.20 3.52 4.01 -1.26 -4.90 118.16 119.45 3k4m n LYS 403 Ca 0.19 0.13 -0.12 0.00 -0.51 0.00 0.00 58.31 58.01 3k4m n LYS 403 Cb 0.25 -1.62 -0.10 0.00 -0.51 0.00 0.00 35.03 33.05 3k4m n LYS 403 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 3k4m s HIS 404 N -3.06 1.04 0.81 2.13 3.76 -1.26 -5.13 115.29 113.57 3k4m s HIS 404 Ca 0.11 -0.90 -0.11 0.00 -0.15 0.00 0.00 55.06 54.02 3k4m s HIS 404 Cb 0.15 -0.58 0.08 0.00 1.11 0.00 0.00 32.58 33.34 3k4m s HIS 404 CO 0.50 -0.11 1.09 -2.14 -0.85 0.00 0.00 174.74 173.24 3k4m s PRO 405 N -3.83 1.99 0.32 8.40 0.02 -1.26 -4.89 135.00 135.75 3k4m s PRO 405 Ca 0.15 1.03 0.05 0.00 0.02 0.00 0.00 61.00 62.25 3k4m s PRO 405 Cb 0.05 -1.88 0.56 0.00 0.02 0.00 0.00 34.50 33.25 3k4m s PRO 405 CO -0.02 -1.79 1.81 -0.44 -0.33 0.00 0.00 177.00 176.24 3k4m h ASP 406 N -1.23 0.41 -0.34 2.53 5.19 -2.00 -2.88 116.42 118.10 3k4m h ASP 406 Ca -0.45 -0.11 -0.13 0.00 -0.62 0.00 0.00 57.03 55.72 3k4m h ASP 406 Cb 1.25 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.64 3k4m h ASP 406 CO 0.53 0.59 -0.25 4.11 -3.12 0.00 0.00 179.24 181.09 3k4m h TRP 407 N 0.39 0.97 0.82 4.55 5.08 -2.00 -2.21 115.95 123.56 3k4m h TRP 407 Ca 0.07 -0.24 -0.04 0.00 1.08 0.00 0.00 58.89 59.76 3k4m h TRP 407 Cb 0.50 -0.23 -0.00 0.00 -3.00 0.00 0.00 29.16 26.43 3k4m h TRP 407 CO 0.01 1.01 -0.48 2.35 -1.28 0.00 0.00 178.44 180.05 3k4m h TRP 408 N 0.73 -1.26 -0.72 0.12 2.91 -1.90 -1.65 115.95 114.18 3k4m h TRP 408 Ca 0.09 -0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.20 3k4m h TRP 408 Cb 0.79 0.44 -0.05 0.00 -0.51 0.00 0.00 29.16 29.84 3k4m h TRP 408 CO 0.05 -0.72 0.48 -0.91 -1.03 0.00 0.00 178.44 176.30 3k4m h ASN 409 N -1.21 0.51 -0.07 2.65 2.35 -1.52 -0.72 115.58 117.56 3k4m h ASN 409 Ca -0.11 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3k4m h ASN 409 Cb 0.96 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.23 3k4m h ASN 409 CO 0.13 0.30 0.02 -0.08 -1.65 0.00 0.00 177.43 176.15 3k4m h GLU 410 N 0.56 0.11 -0.75 0.81 4.57 -1.29 0.14 114.58 118.73 3k4m h GLU 410 Ca 0.34 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.58 3k4m h GLU 410 Cb 0.56 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.06 3k4m h GLU 410 CO -0.12 0.30 0.40 0.87 -1.18 0.00 0.00 179.01 179.29 3k4m h LYS 411 N -0.09 0.66 -0.06 1.92 1.57 -0.23 -1.06 116.57 119.27 3k4m h LYS 411 Ca 0.02 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3k4m h LYS 411 Cb 0.24 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3k4m h LYS 411 CO 0.00 0.44 -0.05 0.28 -0.57 0.00 0.00 179.45 179.54 3k4m h VAL 412 N 0.68 1.37 -0.37 0.50 2.07 -1.01 -1.05 116.25 118.44 3k4m h VAL 412 Ca 0.37 -1.19 0.07 0.00 0.82 0.00 0.00 66.70 66.76 3k4m h VAL 412 Cb 0.36 2.04 -0.09 0.00 -1.52 0.00 0.00 31.29 32.09 3k4m h VAL 412 CO -0.26 0.33 -0.41 0.50 0.02 0.00 0.00 177.57 177.75 3k4m h LYS 413 N -0.30 -0.32 -0.72 1.57 3.64 -0.58 0.25 116.57 120.10 3k4m h LYS 413 Ca 0.01 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 3k4m h LYS 413 Cb 0.55 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 3k4m h LYS 413 CO 0.01 -0.22 0.19 -0.91 -2.27 0.00 0.00 179.45 176.26 3k4m h ASN 414 N -0.33 1.08 -0.50 4.20 2.35 -1.09 -1.38 115.58 119.91 3k4m h ASN 414 Ca 0.14 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 3k4m h ASN 414 Cb 0.58 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3k4m h ASN 414 CO -0.54 1.03 0.03 -0.74 -1.65 0.00 0.00 177.43 175.56 3k4m h HIS 415 N 1.09 0.94 0.00 1.19 -0.00 -0.26 0.48 115.15 118.59 3k4m h HIS 415 Ca 0.23 -0.15 -0.09 0.00 -0.00 0.00 0.00 60.37 60.36 3k4m h HIS 415 Cb 0.36 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 3k4m h HIS 415 CO 0.03 0.87 -0.44 0.52 -0.00 0.00 0.00 177.93 178.90 3k4m h MET 416 N 0.74 0.00 0.14 5.26 2.86 -0.14 -1.25 114.93 122.53 3k4m h MET 416 Ca 0.15 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.46 3k4m h MET 416 Cb 0.47 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 3k4m h MET 416 CO 0.02 0.44 -1.68 0.52 1.06 0.00 0.00 176.91 177.27 3k4m h MET 417 N 0.00 0.29 0.00 1.72 2.07 -1.03 -3.33 114.93 114.65 3k4m h MET 417 Ca -0.00 -0.49 -0.01 0.00 -2.07 0.00 0.00 59.70 57.12 3k4m h MET 417 Cb 0.83 0.18 -0.00 0.00 -1.87 0.00 0.00 31.60 30.74 3k4m h MET 417 CO 0.06 1.24 -0.04 1.96 1.07 0.00 0.00 176.91 181.19 3k4m h GLN 418 N -0.10 0.00 -2.40 1.72 4.20 -0.02 -3.37 115.11 115.14 3k4m h GLN 418 Ca -0.35 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 57.76 3k4m h GLN 418 Cb 1.93 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 29.31 3k4m h GLN 418 CO 0.09 0.04 -0.84 0.72 -0.67 0.00 0.00 178.83 178.17 3k4m n HIS 419 N -3.12 1.06 0.33 2.96 8.25 -0.48 -4.95 115.22 119.28 3k4m n HIS 419 Ca 0.03 -3.77 0.14 0.00 -0.26 0.00 0.00 57.72 53.87 3k4m n HIS 419 Cb 0.49 -0.26 0.48 0.00 1.12 0.00 0.00 29.99 31.83 3k4m n HIS 419 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3k4m h GLN 420 N 4.87 0.00 0.00 -0.41 4.20 -1.74 -2.55 115.11 119.49 3k4m h GLN 420 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3k4m h GLN 420 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 3k4m h GLN 420 CO 0.56 0.00 0.00 1.05 -0.67 0.00 0.00 178.83 179.77 3k4m h GLU 421 N 0.00 0.00 -6.41 1.46 9.09 -1.92 -3.43 114.58 113.38 3k4m h GLU 421 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.88 3k4m h GLU 421 Cb 0.64 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.71 3k4m h GLU 421 CO 0.00 0.00 0.22 0.34 0.05 0.00 0.00 179.01 179.62 3k4m s ASP 422 N -5.70 7.32 -0.03 3.06 2.15 -0.96 -4.98 116.67 117.53 3k4m s ASP 422 Ca 0.05 1.57 0.13 0.00 0.43 0.00 0.00 52.55 54.73 3k4m s ASP 422 Cb 0.08 -2.51 0.42 0.00 -0.30 0.00 0.00 42.92 40.61 3k4m s ASP 422 CO 0.59 0.03 1.32 -0.81 -0.17 0.00 0.00 175.17 176.13 3k4m n PRO 423 N 2.60 2.31 -4.40 4.34 -0.04 -1.26 -4.89 135.00 133.66 3k4m n PRO 423 Ca -0.02 -1.69 -0.26 0.00 -0.04 0.00 0.00 63.50 61.49 3k4m n PRO 423 Cb 0.50 -1.47 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.13 2.28 0.00 1.53 1.43 -1.26 -5.06 118.68 116.48 3k4m s LEU 424 Ca 0.31 -0.68 0.25 0.00 -1.03 0.00 0.00 54.13 52.98 3k4m s LEU 424 Cb 0.18 -1.03 0.51 0.00 0.03 0.00 0.00 46.19 45.88 3k4m s LEU 424 CO 0.19 0.12 1.41 -0.81 0.23 0.00 0.00 176.35 177.49 3k4m n PRO 425 N 1.16 0.32 -2.88 1.29 -0.04 -1.26 -4.83 135.00 128.76 3k4m n PRO 425 Ca -0.19 -0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 62.66 3k4m n PRO 425 Cb 0.53 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 3k4m n PRO 425 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3k4m s ILE 426 N -2.82 4.95 0.42 0.52 1.01 -1.26 -4.61 121.20 119.41 3k4m s ILE 426 Ca 0.15 1.74 -0.26 0.00 0.00 0.00 0.00 60.65 62.29 3k4m s ILE 426 Cb 0.18 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 38.39 3k4m s ILE 426 CO 0.65 0.18 1.32 -2.84 0.00 0.00 0.00 174.94 174.25 3k4m s PRO 427 N 1.07 3.89 0.53 2.79 0.02 -1.26 -4.86 135.00 137.17 3k4m s PRO 427 Ca 0.44 2.18 0.22 0.00 0.02 0.00 0.00 61.00 63.87 3k4m s PRO 427 Cb -0.19 -2.71 1.39 0.00 0.02 0.00 0.00 34.50 33.01 3k4m s PRO 427 CO 0.22 -0.57 2.07 0.74 -0.33 0.00 0.00 177.00 179.13 3k4m h PHE 428 N 2.56 0.00 -0.23 6.54 0.04 -1.97 -2.28 116.94 121.61 3k4m h PHE 428 Ca -0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.27 3k4m h PHE 428 Cb 1.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.40 3k4m h PHE 428 CO 0.52 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 178.62 3k4m n GLU 429 N -4.36 2.38 -1.65 1.51 1.02 -1.26 -4.96 120.64 113.32 3k4m n GLU 429 Ca 0.04 -2.11 -0.47 0.00 -0.02 0.00 0.00 57.16 54.61 3k4m n GLU 429 Cb 0.38 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 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 1.40 2.69 -4.67 1.62 2.03 -0.86 -4.91 116.55 113.85 3k4m n ASP 430 Ca 0.17 1.10 -0.29 0.00 0.52 0.00 0.00 54.79 56.30 3k4m n ASP 430 Cb 0.59 -1.38 0.18 0.00 -0.72 0.00 0.00 41.12 39.79 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 0.49 0.35 0.66 -0.67 0.02 -1.26 -4.98 135.00 129.61 3k4m s PRO 431 Ca 0.77 0.45 -0.12 0.00 0.02 0.00 0.00 61.00 62.13 3k4m s PRO 431 Cb -0.73 -1.73 -0.01 0.00 0.02 0.00 0.00 34.50 32.05 3k4m s PRO 431 CO 0.43 -2.77 1.05 -1.83 -0.33 0.00 0.00 177.00 173.55 3k4m s GLU 432 N -5.00 3.20 0.53 5.54 1.03 -1.26 -4.45 118.70 118.28 3k4m s GLU 432 Ca 0.65 0.92 -0.21 0.00 0.03 0.00 0.00 54.97 56.36 3k4m s GLU 432 Cb -0.18 -2.02 -0.05 0.00 -0.80 0.00 0.00 34.13 31.07 3k4m s GLU 432 CO 0.57 -0.89 1.24 -1.25 -1.33 0.00 0.00 175.26 173.60 3k4m s PRO 433 N -4.96 3.32 -0.43 -4.83 0.04 -1.26 -4.55 135.00 122.33 3k4m s PRO 433 Ca 0.58 1.94 0.07 0.00 0.04 0.00 0.00 61.00 63.62 3k4m s PRO 433 Cb -0.13 -2.21 0.22 0.00 0.04 0.00 0.00 34.50 32.42 3k4m s PRO 433 CO 0.52 -0.95 0.59 1.04 0.04 0.00 0.00 177.00 178.24 3k4m n GLN 434 N -0.99 0.59 -4.28 4.56 1.13 -1.25 -3.22 117.38 113.92 3k4m n GLN 434 Ca 0.10 -2.73 -0.29 0.00 -1.94 0.00 0.00 57.00 52.14 3k4m n GLN 434 Cb 0.48 -1.40 -0.11 0.00 0.11 0.00 0.00 30.24 29.32 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 -0.24 3.04 0.03 5.09 1.01 0.72 -1.52 120.40 128.53 3k4m s VAL 435 Ca 0.33 -1.44 -0.15 0.00 0.00 0.00 0.00 61.98 60.72 3k4m s VAL 435 Cb 0.14 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 34.13 3k4m s VAL 435 CO -0.15 0.08 0.33 0.28 0.00 0.00 0.00 175.10 175.64 3k4m s THR 436 N -1.22 0.07 -0.13 3.92 -1.32 -0.15 -0.39 115.64 116.42 3k4m s THR 436 Ca 0.20 -0.59 0.02 0.00 -1.21 0.00 0.00 61.69 60.11 3k4m s THR 436 Cb -0.11 -0.87 0.01 0.00 -1.51 0.00 0.00 72.50 70.03 3k4m s THR 436 CO 0.12 -0.32 -0.18 0.28 -2.21 0.00 0.00 174.62 172.30 3k4m s THR 437 N -2.24 1.77 0.65 5.08 -1.32 -1.26 -1.11 115.64 117.22 3k4m s THR 437 Ca -0.07 -0.79 -0.13 0.00 -1.21 0.00 0.00 61.69 59.49 3k4m s THR 437 Cb -0.02 -1.60 -0.01 0.00 -1.51 0.00 0.00 72.50 69.36 3k4m s THR 437 CO -0.01 0.49 1.06 -0.76 -2.21 0.00 0.00 174.62 173.19 3k4m s LEU 438 N 1.04 3.29 -0.05 9.08 1.43 -1.26 -3.86 118.68 128.36 3k4m s LEU 438 Ca -0.04 1.72 -0.40 0.00 -1.03 0.00 0.00 54.13 54.38 3k4m s LEU 438 Cb -0.15 -4.51 -0.20 0.00 0.03 0.00 0.00 46.19 41.37 3k4m s LEU 438 CO -0.04 -1.36 1.17 0.33 0.23 0.00 0.00 176.35 176.68 3k4m n PHE 439 N -2.66 0.88 -4.03 0.29 -0.00 -1.18 -4.94 117.46 105.82 3k4m n PHE 439 Ca 0.08 1.01 -0.08 0.00 -0.00 0.00 0.00 57.45 58.46 3k4m n PHE 439 Cb 0.53 -2.14 -0.09 0.00 -0.00 0.00 0.00 39.48 37.78 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 0.43 0.75 0.39 -4.13 -1.52 -1.18 -4.94 119.66 109.47 3k4m s GLN 440 Ca 0.92 -1.19 0.07 0.00 -1.95 0.00 0.00 55.36 53.21 3k4m s GLN 440 Cb -1.25 0.26 0.82 0.00 -0.22 0.00 0.00 33.01 32.61 3k4m s GLN 440 CO 0.59 -0.19 2.02 -1.35 -0.25 0.00 0.00 175.29 176.10 3k4m h PRO 441 N 2.97 0.62 0.00 2.91 0.11 -1.99 -0.74 132.00 135.87 3k4m h PRO 441 Ca -0.34 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3k4m h PRO 441 Cb 1.17 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3k4m h PRO 441 CO 0.61 0.41 -0.09 -1.13 -0.21 0.00 0.00 178.00 177.59 3k4m n SER 442 N -4.47 0.22 -3.23 -2.05 3.41 -1.26 -4.12 113.62 102.12 3k4m n SER 442 Ca 0.06 0.39 -0.24 0.00 -0.26 0.00 0.00 58.87 58.82 3k4m n SER 442 Cb 0.13 -0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 63.59 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 -1.64 -0.67 -0.90 7.33 1.44 -0.34 -5.06 115.22 115.40 3k4m n HIS 443 Ca 0.06 -3.41 -0.26 0.00 -2.01 0.00 0.00 57.72 52.10 3k4m n HIS 443 Cb 0.36 -0.09 -0.02 0.00 0.12 0.00 0.00 29.99 30.35 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 1.87 2.52 -3.81 -1.40 -0.05 -0.87 -3.08 135.00 130.18 3k4m n PRO 444 Ca 0.23 -1.64 -0.11 0.00 -0.05 0.00 0.00 63.50 61.93 3k4m n PRO 444 Cb 0.52 -2.53 -0.08 0.00 -0.05 0.00 0.00 33.50 31.36 3k4m n PRO 444 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 175.50 177.12 3k4m s TRP 445 N 3.02 -0.00 0.49 0.54 -2.14 -1.26 -4.26 118.94 115.33 3k4m s TRP 445 Ca 0.48 -0.19 -0.13 0.00 2.66 0.00 0.00 56.10 58.93 3k4m s TRP 445 Cb 0.13 0.01 -0.06 0.00 -3.10 0.00 0.00 33.47 30.45 3k4m s TRP 445 CO -0.04 -0.45 0.91 -1.58 -2.66 0.00 0.00 176.95 173.12 3k4m s HIS 446 N -2.55 3.50 0.03 1.66 5.65 -0.25 -3.09 115.29 120.24 3k4m s HIS 446 Ca -0.05 1.24 0.02 0.00 0.25 0.00 0.00 55.06 56.52 3k4m s HIS 446 Cb -0.01 -2.62 -0.02 0.00 -1.18 0.00 0.00 32.58 28.75 3k4m s HIS 446 CO -0.04 -0.33 -0.07 0.95 -0.65 0.00 0.00 174.74 174.60 3k4m s THR 447 N -2.65 0.50 -0.05 0.89 -4.23 -1.25 -1.30 115.64 107.56 3k4m s THR 447 Ca 0.55 -0.79 -0.02 0.00 -1.18 0.00 0.00 61.69 60.25 3k4m s THR 447 Cb -0.10 -0.53 0.04 0.00 1.34 0.00 0.00 72.50 73.25 3k4m s THR 447 CO 0.36 -0.21 0.11 -1.10 -0.54 0.00 0.00 174.62 173.24 3k4m s GLN 448 N -1.08 0.05 -0.37 3.99 -0.21 0.10 -4.40 119.66 117.73 3k4m s GLN 448 Ca -0.06 0.31 0.00 0.00 0.02 0.00 0.00 55.36 55.63 3k4m s GLN 448 Cb -0.07 -0.20 0.13 0.00 1.00 0.00 0.00 33.01 33.87 3k4m s GLN 448 CO 0.00 -0.16 0.19 0.42 -2.12 0.00 0.00 175.29 173.62 3k4m s ILE 449 N 1.12 0.77 0.00 1.08 1.01 0.48 -1.25 121.20 124.41 3k4m s ILE 449 Ca -0.09 -1.91 0.00 0.00 0.00 0.00 0.00 60.65 58.65 3k4m s ILE 449 Cb -0.12 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.79 3k4m s ILE 449 CO -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 174.94 174.02 3k4m n HIS 450 N 4.09 -0.57 -3.88 3.97 1.44 -0.58 -0.20 115.22 119.49 3k4m n HIS 450 Ca 0.07 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.49 3k4m n HIS 450 Cb 0.37 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.32 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 -1.05 1.38 0.47 -1.40 1.81 -1.20 0.98 118.95 119.94 3k4m s ARG 451 Ca 0.00 -0.61 -0.02 0.00 -1.72 0.00 0.00 55.73 53.38 3k4m s ARG 451 Cb 0.00 -2.15 -0.01 0.00 -0.45 0.00 0.00 34.95 32.34 3k4m s ARG 451 CO 0.00 -0.49 0.72 0.34 -0.68 0.00 0.00 175.30 175.19 3k4m s ASP 452 N 1.61 5.94 0.09 0.23 -1.08 -1.26 -4.99 116.67 117.21 3k4m s ASP 452 Ca -0.01 0.53 -0.31 0.00 -0.52 0.00 0.00 52.55 52.24 3k4m s ASP 452 Cb -0.16 -1.79 -0.10 0.00 -1.46 0.00 0.00 42.92 39.41 3k4m s ASP 452 CO -0.07 -0.69 1.84 0.00 0.52 0.00 0.00 175.17 176.76 3k4m s ALA 453 N -2.65 3.71 0.02 3.66 0.00 -1.26 -4.96 121.76 120.27 3k4m s ALA 453 Ca 0.48 1.38 0.07 0.00 0.00 0.00 0.00 51.96 53.89 3k4m s ALA 453 Cb -0.10 -3.77 -0.02 0.00 0.00 0.00 0.00 23.12 19.22 3k4m s ALA 453 CO 0.40 -1.30 -0.21 0.12 0.00 0.00 0.00 175.76 174.78 3k4m s PHE 454 N 3.16 1.82 -0.27 0.00 5.36 -1.26 -4.78 117.98 122.02 3k4m s PHE 454 Ca 0.82 -0.36 -0.10 0.00 -0.96 0.00 0.00 56.93 56.33 3k4m s PHE 454 Cb -0.44 -1.13 -0.04 0.00 -0.34 0.00 0.00 43.02 41.07 3k4m s PHE 454 CO 0.37 0.03 0.15 -1.54 -1.46 0.00 0.00 175.22 172.77 3k4m s SER 455 N -0.85 5.71 0.25 6.13 1.04 -1.26 -4.78 113.70 119.94 3k4m s SER 455 Ca 0.08 -0.07 -0.24 0.00 0.48 0.00 0.00 55.95 56.20 3k4m s SER 455 Cb -0.08 -2.05 -0.09 0.00 0.10 0.00 0.00 66.02 63.90 3k4m s SER 455 CO 0.01 -0.04 0.83 0.26 0.98 0.00 0.00 173.24 175.27 3k4m s TRP 456 N 1.67 3.74 0.89 5.02 0.52 -1.26 -5.07 118.94 124.44 3k4m s TRP 456 Ca 0.07 1.61 -0.11 0.00 0.02 0.00 0.00 56.10 57.69 3k4m s TRP 456 Cb -0.16 -2.78 0.13 0.00 -1.15 0.00 0.00 33.47 29.51 3k4m s TRP 456 CO 0.08 0.33 1.10 0.20 0.02 0.00 0.00 176.95 178.69 3k4m s GLY 457 N -1.51 1.65 0.11 0.98 0.00 -1.26 -4.91 107.32 102.38 3k4m s GLY 457 Ca 0.44 0.24 -0.16 0.00 0.00 0.00 0.00 44.72 45.24 3k4m s GLY 457 CO 0.24 0.68 1.56 0.00 0.00 0.00 0.00 173.10 175.59 3k4m h ALA 458 N -1.62 0.45 -0.73 3.20 0.00 -2.00 -2.43 119.26 116.13 3k4m h ALA 458 Ca -0.47 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 54.38 3k4m h ALA 458 Cb 1.27 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 3k4m h ALA 458 CO 0.49 0.19 0.12 0.28 0.00 0.00 0.00 179.25 180.33 3k4m h VAL 459 N 0.40 0.46 0.01 0.00 2.07 -1.98 -2.71 116.25 114.49 3k4m h VAL 459 Ca 0.10 -0.07 -0.20 0.00 0.82 0.00 0.00 66.70 67.35 3k4m h VAL 459 Cb 0.41 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3k4m h VAL 459 CO 0.01 0.04 -0.88 1.56 0.02 0.00 0.00 177.57 178.32 3k4m h GLN 460 N 0.21 0.15 0.00 1.57 4.20 -1.82 -2.83 115.11 116.59 3k4m h GLN 460 Ca 0.41 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3k4m h GLN 460 Cb 0.72 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.55 3k4m h GLN 460 CO -0.56 0.93 0.22 1.04 -0.67 0.00 0.00 178.83 179.80 3k4m n GLN 461 N -3.62 0.09 0.24 1.46 1.13 -0.93 0.61 117.38 116.36 3k4m n GLN 461 Ca -0.03 0.56 0.14 0.00 -1.94 0.00 0.00 57.00 55.73 3k4m n GLN 461 Cb 0.82 -2.03 0.42 0.00 0.11 0.00 0.00 30.24 29.56 3k4m n GLN 461 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3k4m h SER 462 N 0.00 0.00 -3.27 1.08 0.87 -1.55 -3.43 113.55 107.25 3k4m h SER 462 Ca 0.00 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.97 3k4m h SER 462 Cb 0.44 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.32 3k4m h SER 462 CO 0.00 0.06 -0.24 -0.63 -0.53 0.00 0.00 176.83 175.48 3k4m s ILE 463 N -3.45 5.23 -0.06 2.23 -1.09 0.20 -5.02 121.20 119.25 3k4m s ILE 463 Ca 0.04 0.73 -0.30 0.00 -2.23 0.00 0.00 60.65 58.89 3k4m s ILE 463 Cb 0.07 -3.71 -0.06 0.00 -1.58 0.00 0.00 42.46 37.18 3k4m s ILE 463 CO 0.62 0.39 1.81 -0.62 -1.23 0.00 0.00 174.94 175.91 3k4m s ASP 464 N 0.34 6.45 0.62 3.58 -1.08 -1.26 -4.85 116.67 120.46 3k4m s ASP 464 Ca 0.21 2.29 0.31 0.00 -0.52 0.00 0.00 52.55 54.84 3k4m s ASP 464 Cb -0.14 -2.53 1.74 0.00 -1.46 0.00 0.00 42.92 40.53 3k4m s ASP 464 CO 0.07 -1.10 2.07 0.77 0.52 0.00 0.00 175.17 177.50 3k4m h SER 465 N 10.55 0.00 0.03 -0.34 4.64 -1.92 0.15 113.55 126.66 3k4m h SER 465 Ca -0.42 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3k4m h SER 465 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3k4m h SER 465 CO 0.96 0.00 -0.00 0.03 -0.87 0.00 0.00 176.83 176.95 3k4m h ARG 466 N 0.00 0.00 0.00 4.77 3.08 -1.99 -1.95 114.38 118.30 3k4m h ARG 466 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3k4m h ARG 466 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3k4m h ARG 466 CO -0.00 0.00 -0.23 1.28 -1.07 0.00 0.00 179.97 179.95 3k4m n LEU 467 N -3.14 0.29 -4.73 3.04 4.77 0.04 -4.92 117.00 112.36 3k4m n LEU 467 Ca -0.03 0.30 -0.35 0.00 -0.03 0.00 0.00 56.01 55.89 3k4m n LEU 467 Cb 0.08 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 40.71 3k4m n LEU 467 CO 0.21 0.03 -0.24 -0.63 -1.33 0.00 0.00 177.39 175.43 3k4m s ILE 468 N -3.02 4.88 -0.03 -0.08 1.01 -0.73 0.26 121.20 123.50 3k4m s ILE 468 Ca 0.12 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.78 3k4m s ILE 468 Cb 0.18 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.51 3k4m s ILE 468 CO 0.61 0.55 -0.10 -0.69 0.00 0.00 0.00 174.94 175.32 3k4m s VAL 469 N -0.43 0.82 0.26 2.92 1.01 -0.72 -4.90 120.40 119.36 3k4m s VAL 469 Ca 0.10 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 3k4m s VAL 469 Cb -0.12 -0.73 -0.08 0.00 0.00 0.00 0.00 36.38 35.45 3k4m s VAL 469 CO 0.02 0.25 0.64 -1.81 0.00 0.00 0.00 175.10 174.21 3k4m s ASP 470 N 0.17 6.75 -0.08 3.32 1.01 0.27 -1.10 116.67 127.01 3k4m s ASP 470 Ca -0.03 1.13 0.00 0.00 0.71 0.00 0.00 52.55 54.36 3k4m s ASP 470 Cb -0.09 -2.31 0.02 0.00 1.01 0.00 0.00 42.92 41.56 3k4m s ASP 470 CO 0.01 -0.10 -0.06 0.26 0.21 0.00 0.00 175.17 175.48 3k4m s TRP 471 N -1.83 1.16 -0.06 4.23 0.52 0.41 -1.52 118.94 121.85 3k4m s TRP 471 Ca 0.49 -0.48 -0.01 0.00 0.02 0.00 0.00 56.10 56.11 3k4m s TRP 471 Cb -0.12 -1.01 0.03 0.00 -1.15 0.00 0.00 33.47 31.22 3k4m s TRP 471 CO 0.19 -0.38 0.02 1.03 0.02 0.00 0.00 176.95 177.83 3k4m s ARG 472 N 1.47 0.41 -0.12 4.98 0.52 -0.38 -1.76 118.95 124.07 3k4m s ARG 472 Ca -0.01 0.18 -0.02 0.00 -0.52 0.00 0.00 55.73 55.36 3k4m s ARG 472 Cb -0.13 -0.82 -0.03 0.00 0.52 0.00 0.00 34.95 34.49 3k4m s ARG 472 CO -0.04 -0.30 -0.05 -0.06 0.02 0.00 0.00 175.30 174.86 3k4m s PHE 473 N 1.97 2.99 -0.16 -0.53 0.40 -0.42 -0.72 117.98 121.51 3k4m s PHE 473 Ca 0.04 -0.19 -0.01 0.00 -0.60 0.00 0.00 56.93 56.18 3k4m s PHE 473 Cb -0.12 -1.86 -0.01 0.00 0.51 0.00 0.00 43.02 41.54 3k4m s PHE 473 CO -0.04 0.10 -0.13 -0.06 0.70 0.00 0.00 175.22 175.80 3k4m s PHE 474 N -0.10 2.83 0.51 0.36 0.40 -0.42 -0.88 117.98 120.67 3k4m s PHE 474 Ca 0.02 -0.91 -0.01 0.00 -0.60 0.00 0.00 56.93 55.43 3k4m s PHE 474 Cb -0.13 -1.92 0.01 0.00 0.51 0.00 0.00 43.02 41.49 3k4m s PHE 474 CO 0.03 -0.41 0.75 0.20 0.70 0.00 0.00 175.22 176.49 3k4m s GLY 475 N 0.80 1.64 0.02 4.36 0.00 0.92 -1.09 107.32 113.98 3k4m s GLY 475 Ca -0.05 -1.05 -0.07 0.00 0.00 0.00 0.00 44.72 43.55 3k4m s GLY 475 CO 0.01 -0.82 0.29 1.09 0.00 0.00 0.00 173.10 173.67 3k4m s ARG 476 N -4.72 3.61 -0.13 2.90 1.70 -1.26 -3.86 118.95 117.20 3k4m s ARG 476 Ca 0.52 -0.03 0.01 0.00 -0.47 0.00 0.00 55.73 55.76 3k4m s ARG 476 Cb -0.10 -3.06 0.02 0.00 -0.57 0.00 0.00 34.95 31.23 3k4m s ARG 476 CO 0.40 0.63 -0.16 0.99 -1.08 0.00 0.00 175.30 176.07 3k4m s THR 477 N -1.32 1.65 -0.02 4.99 2.01 -1.26 -4.73 115.64 116.96 3k4m s THR 477 Ca 0.29 -0.71 -0.35 0.00 0.31 0.00 0.00 61.69 61.23 3k4m s THR 477 Cb -0.13 -1.51 -0.13 0.00 0.01 0.00 0.00 72.50 70.74 3k4m s THR 477 CO 0.17 0.47 1.76 1.21 -0.69 0.00 0.00 174.62 177.54 3k4m n GLU 478 N 4.39 2.06 -1.66 4.92 2.13 -1.26 -4.19 120.64 127.03 3k4m n GLU 478 Ca -0.19 0.75 -0.44 0.00 0.66 0.00 0.00 57.16 57.95 3k4m n GLU 478 Cb 0.51 -2.56 -0.04 0.00 0.27 0.00 0.00 31.44 29.63 3k4m n GLU 478 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3k4m n PRO 479 N 5.44 2.62 -4.65 5.31 -0.04 -1.26 -4.81 135.00 137.62 3k4m n PRO 479 Ca 0.21 0.95 -0.25 0.00 -0.04 0.00 0.00 63.50 64.37 3k4m n PRO 479 Cb 0.28 -2.93 -0.16 0.00 -0.04 0.00 0.00 33.50 30.65 3k4m n PRO 479 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3k4m s LYS 480 N 4.51 1.75 0.26 0.54 -0.14 -1.26 -4.99 119.74 120.41 3k4m s LYS 480 Ca 0.91 -0.46 -0.03 0.00 -1.36 0.00 0.00 55.97 55.03 3k4m s LYS 480 Cb -0.50 -1.45 0.54 0.00 -1.68 0.00 0.00 37.83 34.74 3k4m s LYS 480 CO 0.44 0.07 1.66 1.49 -0.76 0.00 0.00 175.35 178.25 3k4m h GLU 481 N 6.82 0.20 0.00 1.68 4.22 -1.94 -0.50 114.58 125.06 3k4m h GLU 481 Ca -0.30 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.12 3k4m h GLU 481 Cb 1.19 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3k4m h GLU 481 CO 0.48 0.13 0.00 1.05 -2.18 0.00 0.00 179.01 178.48 3k4m h GLU 482 N 0.20 0.00 -6.09 1.92 9.09 -1.96 -3.27 114.58 114.47 3k4m h GLU 482 Ca 0.46 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 59.29 3k4m h GLU 482 Cb 0.85 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.88 3k4m h GLU 482 CO -0.60 0.00 0.77 -0.80 0.05 0.00 0.00 179.01 178.43 3k4m s ASN 483 N -5.15 7.04 0.01 3.06 0.01 -0.21 -4.78 114.94 114.93 3k4m s ASN 483 Ca 0.02 1.28 0.02 0.00 -0.71 0.00 0.00 52.86 53.47 3k4m s ASN 483 Cb 0.09 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.21 3k4m s ASN 483 CO 0.48 -0.69 -0.07 -0.54 -1.51 0.00 0.00 177.10 174.77 3k4m s LYS 484 N 3.24 0.53 -0.27 -0.60 1.02 -0.35 -1.73 119.74 121.58 3k4m s LYS 484 Ca 0.43 -0.40 -0.04 0.00 0.02 0.00 0.00 55.97 55.99 3k4m s LYS 484 Cb -0.15 -0.46 0.02 0.00 -0.52 0.00 0.00 37.83 36.73 3k4m s LYS 484 CO 0.08 0.12 0.01 -1.17 -0.92 0.00 0.00 175.35 173.46 3k4m s LEU 485 N -0.59 3.54 0.42 3.17 2.96 0.98 -0.08 118.68 129.07 3k4m s LEU 485 Ca -0.01 -0.83 0.03 0.00 -0.22 0.00 0.00 54.13 53.10 3k4m s LEU 485 Cb -0.05 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 3k4m s LEU 485 CO 0.00 -0.17 0.10 -1.66 -1.32 0.00 0.00 176.35 173.30 3k4m s TRP 486 N 1.40 1.83 -0.03 5.38 1.48 -0.71 -4.40 118.94 123.89 3k4m s TRP 486 Ca 0.01 -1.19 0.01 0.00 -1.06 0.00 0.00 56.10 53.87 3k4m s TRP 486 Cb -0.17 -1.26 0.01 0.00 -1.16 0.00 0.00 33.47 30.90 3k4m s TRP 486 CO -0.01 -0.17 -0.05 -0.06 -4.06 0.00 0.00 176.95 172.60 3k4m s PHE 487 N -3.15 0.65 0.53 1.66 0.08 -1.26 0.25 117.98 116.74 3k4m s PHE 487 Ca 0.22 -0.15 -0.19 0.00 0.12 0.00 0.00 56.93 56.92 3k4m s PHE 487 Cb 0.03 -0.55 -0.07 0.00 -0.57 0.00 0.00 43.02 41.87 3k4m s PHE 487 CO 0.13 -0.13 1.08 0.45 -0.10 0.00 0.00 175.22 176.65 3k4m s SER 488 N 0.59 5.96 0.00 1.36 0.15 -0.66 -0.04 113.70 121.07 3k4m s SER 488 Ca -0.08 2.03 0.24 0.00 0.70 0.00 0.00 55.95 58.85 3k4m s SER 488 Cb -0.11 -2.57 0.35 0.00 -1.71 0.00 0.00 66.02 61.98 3k4m s SER 488 CO -0.00 -1.05 1.36 -0.90 1.20 0.00 0.00 173.24 173.85 3k4m n ASP 489 N -1.26 3.27 0.00 5.45 5.68 -1.26 -4.22 116.55 124.21 3k4m n ASP 489 Ca 0.10 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 3k4m n ASP 489 Cb 0.52 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 3k4m n ASP 489 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3k4m n LYS 490 N 1.43 1.10 -3.28 0.11 4.76 -1.26 -5.04 118.16 115.97 3k4m n LYS 490 Ca 0.17 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.23 3k4m n LYS 490 Cb 0.60 -0.77 -0.06 0.00 -1.84 0.00 0.00 35.03 32.97 3k4m n LYS 490 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3k4m s ILE 491 N -1.54 5.06 0.20 -0.18 -1.09 -1.26 -5.02 121.20 117.37 3k4m s ILE 491 Ca 0.00 1.07 0.10 0.00 -2.23 0.00 0.00 60.65 59.60 3k4m s ILE 491 Cb 0.00 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 3k4m s ILE 491 CO 0.00 0.38 -0.17 0.42 -1.23 0.00 0.00 174.94 174.34 3k4m s THR 492 N 0.14 2.72 0.00 2.92 -4.23 -1.26 -0.83 115.64 115.10 3k4m s THR 492 Ca 0.28 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3k4m s THR 492 Cb -0.17 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.34 3k4m s THR 492 CO 0.14 -0.15 0.00 -0.90 -0.54 0.00 0.00 174.62 173.17 3k4m n ASP 493 N 0.06 0.00 0.24 3.99 5.68 0.18 -4.71 116.55 121.99 3k4m n ASP 493 Ca -0.11 -0.59 0.12 0.00 -0.50 0.00 0.00 54.79 53.71 3k4m n ASP 493 Cb 0.56 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.14 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 -1.56 1.12 -0.61 2.12 0.00 -1.98 -1.88 119.26 116.47 3k4m h ALA 494 Ca 0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 3k4m h ALA 494 Cb 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.65 3k4m h ALA 494 CO 0.00 0.21 0.19 0.66 0.00 0.00 0.00 179.25 180.31 3k4m n TYR 495 N -3.47 2.01 -2.38 0.00 4.02 -1.26 -4.91 117.16 111.18 3k4m n TYR 495 Ca -0.01 -1.23 -0.20 0.00 -0.01 0.00 0.00 57.90 56.45 3k4m n TYR 495 Cb 0.34 -0.60 -0.01 0.00 -0.02 0.00 0.00 39.34 39.04 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 -0.41 -5.81 -4.80 7.72 5.15 -0.71 -5.00 115.26 111.40 3k4m n ASN 496 Ca 0.37 0.01 -0.23 0.00 -0.60 0.00 0.00 54.58 54.13 3k4m n ASN 496 Cb 1.26 -4.85 -0.05 0.00 -0.53 0.00 0.00 39.78 35.61 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 -5.01 2.86 0.30 1.20 -1.94 -1.26 -4.82 119.30 110.62 3k4m s MET 497 Ca 0.00 -1.04 -0.30 0.00 -1.71 0.00 0.00 55.69 52.65 3k4m s MET 497 Cb 0.00 -2.55 -0.12 0.00 2.01 0.00 0.00 34.83 34.17 3k4m s MET 497 CO 0.00 0.42 1.45 -2.30 -0.01 0.00 0.00 175.02 174.58 3k4m n PRO 498 N -0.92 2.34 -2.49 2.03 -0.02 -1.26 0.47 135.00 135.15 3k4m n PRO 498 Ca -0.08 0.83 -0.43 0.00 -2.02 0.00 0.00 63.50 61.80 3k4m n PRO 498 Cb 0.57 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 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 -0.97 4.15 0.28 -0.52 2.00 -0.01 -4.58 119.66 120.01 3k4m s GLN 499 Ca 0.62 1.44 -0.30 0.00 -2.00 0.00 0.00 55.36 55.13 3k4m s GLN 499 Cb -0.56 -3.76 -0.13 0.00 0.80 0.00 0.00 33.01 29.35 3k4m s GLN 499 CO 0.54 -0.81 1.30 -0.35 -0.50 0.00 0.00 175.29 175.47 3k4m n PRO 500 N 6.75 1.95 -4.06 1.67 -0.04 -1.26 -1.65 135.00 138.36 3k4m n PRO 500 Ca 0.14 0.69 -0.15 0.00 -0.04 0.00 0.00 63.50 64.13 3k4m n PRO 500 Cb 0.46 -2.28 -0.15 0.00 -0.04 0.00 0.00 33.50 31.50 3k4m n PRO 500 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3k4m s THR 501 N -0.58 0.28 -0.04 0.52 2.01 0.14 -4.68 115.64 113.30 3k4m s THR 501 Ca 0.62 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.51 3k4m s THR 501 Cb -0.63 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.58 3k4m s THR 501 CO 0.56 0.10 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.22 3k4m s PHE 502 N 0.13 3.10 -0.42 4.92 0.08 -1.26 -1.74 117.98 122.80 3k4m s PHE 502 Ca -0.01 0.12 0.03 0.00 0.12 0.00 0.00 56.93 57.20 3k4m s PHE 502 Cb -0.04 -1.72 0.11 0.00 -0.57 0.00 0.00 43.02 40.80 3k4m s PHE 502 CO -0.00 0.46 0.15 0.34 -0.10 0.00 0.00 175.22 176.06 3k4m s ASP 503 N -1.23 4.45 -0.05 1.36 -1.08 0.88 -4.57 116.67 116.43 3k4m s ASP 503 Ca 0.17 -2.49 -0.02 0.00 -0.52 0.00 0.00 52.55 49.68 3k4m s ASP 503 Cb -0.11 -1.53 0.03 0.00 -1.46 0.00 0.00 42.92 39.85 3k4m s ASP 503 CO 0.06 -0.32 0.10 0.12 0.52 0.00 0.00 175.17 175.66 3k4m s PHE 504 N 0.44 -0.09 0.02 -5.34 2.19 0.06 -1.22 117.98 114.04 3k4m s PHE 504 Ca 0.14 0.34 0.01 0.00 0.33 0.00 0.00 56.93 57.74 3k4m s PHE 504 Cb -0.22 -0.12 -0.02 0.00 -1.31 0.00 0.00 43.02 41.35 3k4m s PHE 504 CO -0.05 -0.13 -0.04 1.03 1.83 0.00 0.00 175.22 177.86 3k4m s ARG 505 N 0.98 0.36 0.05 10.12 1.81 -1.26 -3.84 118.95 127.17 3k4m s ARG 505 Ca -0.08 -0.61 -0.31 0.00 -1.72 0.00 0.00 55.73 53.01 3k4m s ARG 505 Cb -0.10 -0.01 -0.07 0.00 -0.45 0.00 0.00 34.95 34.31 3k4m s ARG 505 CO -0.04 -0.02 1.48 -0.06 -0.68 0.00 0.00 175.30 175.98 3k4m s PHE 506 N -1.35 2.80 0.36 -0.53 0.08 -1.26 -4.89 117.98 113.20 3k4m s PHE 506 Ca -0.13 0.69 -0.28 0.00 0.12 0.00 0.00 56.93 57.32 3k4m s PHE 506 Cb -0.09 -3.77 -0.11 0.00 -0.57 0.00 0.00 43.02 38.48 3k4m s PHE 506 CO -0.01 -2.89 1.49 -2.14 -0.10 0.00 0.00 175.22 171.57 3k4m s PRO 507 N 2.20 4.13 1.06 0.24 0.02 -1.26 -4.86 135.00 136.53 3k4m s PRO 507 Ca 0.67 2.55 -0.12 0.00 0.02 0.00 0.00 61.00 64.13 3k4m s PRO 507 Cb -0.35 -2.98 0.22 0.00 0.02 0.00 0.00 34.50 31.41 3k4m s PRO 507 CO 0.29 -0.52 1.05 0.00 -0.33 0.00 0.00 177.00 177.49 3k4m n ALA 508 N 0.68 -2.01 0.00 -1.55 0.00 -1.26 -2.32 120.51 114.05 3k4m n ALA 508 Ca 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.55 3k4m n ALA 508 Cb 0.39 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3k4m n ALA 508 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4m n GLY 509 N 0.71 0.41 0.18 0.00 0.00 -1.26 -4.52 105.19 100.71 3k4m n GLY 509 Ca 0.07 -1.27 -0.03 0.00 0.00 0.00 0.00 46.02 44.78 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 0.16 -0.25 1.61 2.43 -1.99 -1.34 114.38 115.00 3k4m h ARG 510 Ca 0.00 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3k4m h ARG 510 Cb 0.00 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.45 3k4m h ARG 510 CO 0.00 0.10 -0.17 1.15 -1.51 0.00 0.00 179.97 179.54 3k4m h THR 511 N 0.16 0.52 0.43 0.20 2.02 -1.80 0.42 112.91 114.86 3k4m h THR 511 Ca 0.22 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.39 3k4m h THR 511 Cb 0.31 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3k4m h THR 511 CO -0.33 0.00 -0.25 0.28 0.37 0.00 0.00 175.52 175.59 3k4m h SER 512 N -0.16 -0.61 -0.66 4.18 0.02 -1.00 -0.73 113.55 114.59 3k4m h SER 512 Ca 0.14 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3k4m h SER 512 Cb 0.37 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 3k4m h SER 512 CO -0.35 -0.40 0.29 0.50 -1.14 0.00 0.00 176.83 175.73 3k4m h LYS 513 N -0.64 0.97 -0.39 3.45 3.64 -0.74 0.12 116.57 122.98 3k4m h LYS 513 Ca -0.05 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.10 3k4m h LYS 513 Cb 0.52 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3k4m h LYS 513 CO 0.06 0.79 -0.04 0.93 -2.27 0.00 0.00 179.45 178.92 3k4m h GLU 514 N 0.93 0.65 0.02 1.90 5.08 -0.19 -1.26 114.58 121.71 3k4m h GLU 514 Ca 0.22 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3k4m h GLU 514 Cb 0.16 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3k4m h GLU 514 CO -0.02 0.70 -0.26 0.00 -1.00 0.00 0.00 179.01 178.43 3k4m h ALA 515 N 1.35 -0.37 -0.23 3.43 0.00 0.79 0.90 119.26 125.13 3k4m h ALA 515 Ca 0.12 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3k4m h ALA 515 Cb 0.45 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3k4m h ALA 515 CO 0.02 -0.77 -0.31 1.49 0.00 0.00 0.00 179.25 179.68 3k4m h GLU 516 N -0.41 0.47 -0.01 0.00 4.57 -1.37 -2.19 114.58 115.64 3k4m h GLU 516 Ca 0.06 -0.20 -0.05 0.00 -1.18 0.00 0.00 59.36 57.98 3k4m h GLU 516 Cb 0.48 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3k4m h GLU 516 CO -0.21 0.73 -0.24 -0.44 -1.18 0.00 0.00 179.01 177.66 3k4m h ASP 517 N 0.40 0.02 -0.25 1.04 3.32 -0.93 -1.72 116.42 118.31 3k4m h ASP 517 Ca 0.05 -0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.91 3k4m h ASP 517 Cb 0.75 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3k4m h ASP 517 CO 0.06 0.27 -0.58 -0.03 -1.72 0.00 0.00 179.24 177.23 3k4m h MET 518 N 0.02 0.83 0.84 3.56 4.05 -0.48 -0.41 114.93 123.34 3k4m h MET 518 Ca 0.00 -0.56 -0.04 0.00 -0.28 0.00 0.00 59.70 58.82 3k4m h MET 518 Cb 0.44 0.08 0.01 0.00 -0.80 0.00 0.00 31.60 31.33 3k4m h MET 518 CO 0.03 1.19 -0.41 1.98 0.23 0.00 0.00 176.91 179.94 3k4m h MET 519 N 0.59 -1.09 -0.77 0.39 1.85 -1.06 -1.56 114.93 113.27 3k4m h MET 519 Ca -0.00 0.07 0.17 0.00 -0.61 0.00 0.00 59.70 59.33 3k4m h MET 519 Cb 1.20 0.25 -0.14 0.00 0.43 0.00 0.00 31.60 33.34 3k4m h MET 519 CO 0.13 -0.72 -0.04 1.15 -0.40 0.00 0.00 176.91 177.03 3k4m h THR 520 N -1.21 0.30 -0.97 -0.77 2.02 -1.31 -0.47 112.91 110.50 3k4m h THR 520 Ca -0.12 -0.02 0.13 0.00 0.77 0.00 0.00 66.41 67.17 3k4m h THR 520 Cb 0.88 0.22 -0.09 0.00 -1.74 0.00 0.00 68.15 67.42 3k4m h THR 520 CO 0.19 0.01 0.59 -0.78 0.37 0.00 0.00 175.52 175.91 3k4m h ASP 521 N 0.07 0.84 -0.27 4.18 3.58 -0.95 0.75 116.42 124.62 3k4m h ASP 521 Ca 0.41 0.06 -0.17 0.00 0.42 0.00 0.00 57.03 57.75 3k4m h ASP 521 Cb 0.72 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.66 3k4m h ASP 521 CO -0.71 0.42 -0.51 -0.03 -2.88 0.00 0.00 179.24 175.54 3k4m h MET 522 N 0.91 0.82 -0.31 0.28 4.05 -0.08 0.09 114.93 120.70 3k4m h MET 522 Ca 0.50 -0.52 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3k4m h MET 522 Cb 0.55 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.39 3k4m h MET 522 CO -0.29 1.15 0.18 0.00 0.23 0.00 0.00 176.91 178.18 3k4m h VAL 524 N 0.36 1.24 0.15 0.00 2.07 -0.72 -3.01 116.25 116.34 3k4m h VAL 524 Ca 0.12 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3k4m h VAL 524 Cb 0.00 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3k4m h VAL 524 CO -0.06 0.21 -0.07 -0.03 0.02 0.00 0.00 177.57 177.64 3k4m h MET 525 N -0.10 -0.20 -0.34 1.57 -1.53 -0.87 -3.10 114.93 110.36 3k4m h MET 525 Ca 0.03 0.01 0.09 0.00 -3.44 0.00 0.00 59.70 56.39 3k4m h MET 525 Cb 0.32 0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.40 3k4m h MET 525 CO 0.00 0.04 0.24 0.66 0.14 0.00 0.00 176.91 178.00 3k4m h SER 526 N -0.41 0.03 0.39 1.39 4.64 -0.97 -0.25 113.55 118.36 3k4m h SER 526 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3k4m h SER 526 Cb 0.33 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3k4m h SER 526 CO 0.03 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 3k4m n ALA 527 N -2.60 1.39 0.15 5.18 0.00 -1.14 -1.19 120.51 122.30 3k4m n ALA 527 Ca 0.05 0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.66 3k4m n ALA 527 Cb 0.40 -1.32 0.05 0.00 0.00 0.00 0.00 19.45 18.58 3k4m n ALA 527 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3k4m h LYS 528 N 0.00 0.00 0.00 0.00 1.57 -1.15 -3.31 116.57 113.68 3k4m h LYS 528 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 3k4m h LYS 528 Cb 0.20 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 3k4m h LYS 528 CO 0.00 0.29 -2.43 -0.89 -0.57 0.00 0.00 179.45 175.85 3k4m n ILE 529 N -3.10 1.48 0.00 1.86 2.08 -0.33 -4.98 119.36 116.36 3k4m n ILE 529 Ca 0.01 -0.64 0.00 0.00 0.56 0.00 0.00 62.75 62.68 3k4m n ILE 529 Cb 0.67 -1.21 0.00 0.00 -0.75 0.00 0.00 39.64 38.36 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 2.12 0.32 3.86 7.39 0.00 -0.61 -1.14 105.19 117.14 3k4m n GLY 530 Ca -0.42 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 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 1.73 0.84 -0.02 0.00 -1.24 -3.93 107.32 104.70 3k4m s GLY 531 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 44.72 44.56 3k4m s GLY 531 CO 0.00 0.23 1.19 -1.36 0.00 0.00 0.00 173.10 173.17 3k4m s PHE 532 N -3.08 1.71 -0.15 1.90 0.08 -1.26 -1.70 117.98 115.48 3k4m s PHE 532 Ca 0.56 1.71 -0.19 0.00 0.12 0.00 0.00 56.93 59.13 3k4m s PHE 532 Cb -0.11 -3.46 -0.03 0.00 -0.57 0.00 0.00 43.02 38.85 3k4m s PHE 532 CO 0.50 -2.89 0.55 -1.17 -0.10 0.00 0.00 175.22 172.11 3k4m s LEU 533 N -5.99 4.21 0.49 -0.37 2.96 0.18 -4.61 118.68 115.56 3k4m s LEU 533 Ca 0.72 0.82 -0.24 0.00 -0.22 0.00 0.00 54.13 55.20 3k4m s LEU 533 Cb -0.27 -2.78 -0.07 0.00 0.50 0.00 0.00 46.19 43.56 3k4m s LEU 533 CO 0.53 -0.13 1.40 -2.65 -1.32 0.00 0.00 176.35 174.18 3k4m n PRO 534 N 4.32 2.02 0.00 0.98 -0.02 -1.26 -1.06 135.00 139.98 3k4m n PRO 534 Ca -0.04 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3k4m n PRO 534 Cb 0.51 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 0.66 1.73 2.64 -1.23 0.00 -1.26 -4.77 105.19 102.96 3k4m n GLY 535 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 3k4m n GLY 535 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k4m n SER 536 N 0.00 2.14 -4.79 1.61 7.64 -0.23 -5.05 113.62 114.95 3k4m n SER 536 Ca 0.00 -2.75 -0.33 0.00 1.01 0.00 0.00 58.87 56.80 3k4m n SER 536 Cb 0.00 -0.50 0.03 0.00 -1.01 0.00 0.00 64.21 62.73 3k4m n SER 536 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k4m s LEU 537 N -3.37 3.46 0.24 -3.43 1.43 -1.25 -1.92 118.68 113.84 3k4m s LEU 537 Ca 0.31 1.90 -0.31 0.00 -1.03 0.00 0.00 54.13 55.01 3k4m s LEU 537 Cb 0.42 -4.54 -0.11 0.00 0.03 0.00 0.00 46.19 41.98 3k4m s LEU 537 CO -0.01 -1.36 1.63 -2.16 0.23 0.00 0.00 176.35 174.67 3k4m s PRO 538 N -4.06 4.15 0.00 1.29 0.04 -1.25 -4.64 135.00 130.53 3k4m s PRO 538 Ca 0.65 2.54 -0.28 0.00 0.04 0.00 0.00 61.00 63.95 3k4m s PRO 538 Cb -0.18 -3.07 0.07 0.00 0.04 0.00 0.00 34.50 31.36 3k4m s PRO 538 CO 0.39 -0.66 0.64 1.14 0.04 0.00 0.00 177.00 178.55 3k4m s GLN 539 N 0.35 1.09 0.25 4.56 -2.07 -0.67 -4.99 119.66 118.18 3k4m s GLN 539 Ca 0.68 0.06 -0.30 0.00 -1.82 0.00 0.00 55.36 53.99 3k4m s GLN 539 Cb -0.48 0.51 -0.09 0.00 -1.09 0.00 0.00 33.01 31.86 3k4m s GLN 539 CO 0.39 -0.38 1.02 -0.06 -1.32 0.00 0.00 175.29 174.94 3k4m s PHE 540 N -1.80 3.79 0.52 9.60 0.08 -1.26 -1.60 117.98 127.32 3k4m s PHE 540 Ca -0.08 1.81 -0.06 0.00 0.12 0.00 0.00 56.93 58.72 3k4m s PHE 540 Cb -0.00 -3.12 -0.02 0.00 -0.57 0.00 0.00 43.02 39.30 3k4m s PHE 540 CO 0.04 -0.02 0.84 -1.64 -0.10 0.00 0.00 175.22 174.34 3k4m s MET 541 N -1.22 3.35 0.12 0.44 -1.94 -0.75 -4.97 119.30 114.33 3k4m s MET 541 Ca 0.43 0.17 -0.34 0.00 -1.71 0.00 0.00 55.69 54.23 3k4m s MET 541 Cb -0.29 -2.33 -0.14 0.00 2.01 0.00 0.00 34.83 34.09 3k4m s MET 541 CO 0.36 -0.38 1.59 -1.91 -0.01 0.00 0.00 175.02 174.67 3k4m n GLU 542 N -2.39 2.04 -1.69 2.03 2.13 -1.26 -4.77 120.64 116.73 3k4m n GLU 542 Ca 0.02 0.74 -0.54 0.00 0.66 0.00 0.00 57.16 58.04 3k4m n GLU 542 Cb 0.56 -2.50 -0.06 0.00 0.27 0.00 0.00 31.44 29.71 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 3.74 1.56 0.00 5.31 -0.02 -1.26 -0.65 135.00 143.68 3k4m n PRO 543 Ca 0.18 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3k4m n PRO 543 Cb 0.28 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 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 4.42 1.38 0.33 -1.23 0.00 -1.26 -0.37 105.19 108.46 3k4m n GLY 544 Ca 0.26 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.45 3k4m n GLY 544 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k4m h LEU 545 N 0.00 0.00 -0.72 0.99 5.85 -1.00 -2.12 115.31 118.32 3k4m h LEU 545 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3k4m h LEU 545 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3k4m h LEU 545 CO 0.00 0.00 0.00 1.62 -0.34 0.00 0.00 178.44 179.72 3k4m h VAL 546 N 0.00 0.00 -6.42 1.05 3.04 -1.88 -3.47 116.25 108.57 3k4m h VAL 546 Ca 0.06 -0.48 -0.48 0.00 -1.01 0.00 0.00 66.70 64.79 3k4m h VAL 546 Cb 0.39 1.38 -0.02 0.00 -2.01 0.00 0.00 31.29 31.03 3k4m h VAL 546 CO -0.00 0.00 -0.89 0.18 -1.01 0.00 0.00 177.57 175.85 3k4m n LEU 547 N -2.64 -2.38 -0.12 3.16 4.77 -0.80 -4.91 117.00 114.08 3k4m n LEU 547 Ca 0.03 -0.99 0.09 0.00 -0.03 0.00 0.00 56.01 55.11 3k4m n LEU 547 Cb 0.33 -2.29 0.13 0.00 -2.33 0.00 0.00 43.42 39.27 3k4m n LEU 547 CO 0.26 0.44 0.54 1.41 -1.33 0.00 0.00 177.39 178.71 3k4m n HIS 548 N -4.37 0.00 -1.67 -1.77 8.25 -1.26 -5.02 115.22 109.38 3k4m n HIS 548 Ca -0.29 -0.96 -0.46 0.00 -0.26 0.00 0.00 57.72 55.75 3k4m n HIS 548 Cb 0.67 -0.15 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 3k4m n HIS 548 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3k4m n LEU 549 N -1.34 3.05 -4.41 2.41 7.94 -1.26 -4.62 117.00 118.78 3k4m n LEU 549 Ca 0.15 1.08 -0.23 0.00 -1.11 0.00 0.00 56.01 55.90 3k4m n LEU 549 Cb 0.65 -1.41 -0.08 0.00 0.53 0.00 0.00 43.42 43.11 3k4m n LEU 549 CO 0.01 -0.31 -0.14 -0.83 -1.11 0.00 0.00 177.39 175.01 3k4m s GLY 550 N 1.08 2.58 0.00 -3.96 0.00 0.85 -4.35 107.32 103.52 3k4m s GLY 550 Ca 0.80 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.93 3k4m s GLY 550 CO 0.39 -1.66 0.00 0.61 0.00 0.00 0.00 173.10 172.44 3k4m n GLY 551 N -0.81 0.70 0.23 0.20 0.00 -0.34 -1.10 105.19 104.08 3k4m n GLY 551 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 0.23 -1.17 2.61 1.35 -1.74 -3.31 112.91 110.88 3k4m h THR 552 Ca 0.00 -0.98 -0.38 0.00 -0.55 0.00 0.00 66.41 64.50 3k4m h THR 552 Cb 0.00 1.81 -0.30 0.00 -1.73 0.00 0.00 68.15 67.93 3k4m h THR 552 CO 0.00 0.11 -0.88 0.00 -0.25 0.00 0.00 175.52 174.49 3k4m n HIS 553 N -3.19 -1.11 -2.61 4.73 1.44 -0.65 -0.65 115.22 113.18 3k4m n HIS 553 Ca 0.02 -3.11 -0.35 0.00 -2.01 0.00 0.00 57.72 52.27 3k4m n HIS 553 Cb 0.44 0.44 -0.04 0.00 0.12 0.00 0.00 29.99 30.94 3k4m n HIS 553 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 3k4m s ARG 554 N -1.27 4.08 0.33 -1.40 1.70 -1.03 -4.03 118.95 117.33 3k4m s ARG 554 Ca 0.33 1.38 -0.24 0.00 -0.47 0.00 0.00 55.73 56.73 3k4m s ARG 554 Cb 0.32 -2.35 -0.10 0.00 -0.57 0.00 0.00 34.95 32.25 3k4m s ARG 554 CO -0.07 -0.19 0.91 1.41 -1.08 0.00 0.00 175.30 176.27 3k4m s MET 555 N -2.83 4.46 0.14 3.89 -2.45 0.13 -1.00 119.30 121.65 3k4m s MET 555 Ca 0.61 1.21 -0.25 0.00 -1.25 0.00 0.00 55.69 56.01 3k4m s MET 555 Cb -0.18 -2.69 0.07 0.00 1.25 0.00 0.00 34.83 33.28 3k4m s MET 555 CO 0.22 0.24 0.95 0.20 1.05 0.00 0.00 175.02 177.68 3k4m s GLY 556 N -1.74 -0.25 0.08 2.11 0.00 -0.63 -4.51 107.32 102.39 3k4m s GLY 556 Ca 0.51 0.20 -0.15 0.00 0.00 0.00 0.00 44.72 45.29 3k4m s GLY 556 CO 0.21 0.03 1.30 0.74 0.00 0.00 0.00 173.10 175.38 3k4m h PHE 557 N 2.00 0.93 -3.43 1.90 0.04 -1.92 -3.33 116.94 113.13 3k4m h PHE 557 Ca -0.24 -0.39 -0.51 0.00 2.80 0.00 0.00 57.97 59.63 3k4m h PHE 557 Cb 1.23 -0.15 -0.33 0.00 2.20 0.00 0.00 35.95 38.90 3k4m h PHE 557 CO 0.37 1.20 -0.81 0.34 -0.60 0.00 0.00 178.31 178.81 3k4m s ASP 558 N -6.89 1.72 0.14 2.17 2.15 -1.26 -4.88 116.67 109.82 3k4m s ASP 558 Ca -0.11 -0.29 -0.28 0.00 0.43 0.00 0.00 52.55 52.30 3k4m s ASP 558 Cb 0.08 -0.80 -0.03 0.00 -0.30 0.00 0.00 42.92 41.87 3k4m s ASP 558 CO 0.87 0.03 1.58 -0.08 -0.17 0.00 0.00 175.17 177.40 3k4m h GLU 559 N 6.96 -0.39 0.03 4.34 4.81 -1.87 -0.67 114.58 127.79 3k4m h GLU 559 Ca -0.31 0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 58.82 3k4m h GLU 559 Cb 1.19 0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.66 3k4m h GLU 559 CO 0.47 -0.26 -0.51 -0.22 -0.73 0.00 0.00 179.01 177.77 3k4m h LYS 560 N -0.40 0.30 0.08 1.92 3.64 -1.96 0.95 116.57 121.10 3k4m h LYS 560 Ca 0.11 -0.36 -0.28 0.00 -1.27 0.00 0.00 60.65 58.85 3k4m h LYS 560 Cb 0.60 0.11 0.02 0.00 -0.41 0.00 0.00 32.23 32.55 3k4m h LYS 560 CO -0.50 1.07 -1.17 0.93 -2.27 0.00 0.00 179.45 177.52 3k4m h GLU 561 N -0.31 0.59 -0.63 1.90 5.08 -1.97 -3.08 114.58 116.16 3k4m h GLU 561 Ca -0.07 -0.74 0.00 0.00 -1.00 0.00 0.00 59.36 57.55 3k4m h GLU 561 Cb 1.27 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.76 3k4m h GLU 561 CO 0.10 1.32 0.00 -0.25 -1.00 0.00 0.00 179.01 179.18 3k4m n ASP 562 N -3.78 3.90 -3.91 1.42 8.00 -0.27 -4.98 116.55 116.94 3k4m n ASP 562 Ca -0.12 -2.35 -0.35 0.00 0.71 0.00 0.00 54.79 52.69 3k4m n ASP 562 Cb 0.95 -0.51 0.01 0.00 -0.02 0.00 0.00 41.12 41.55 3k4m n ASP 562 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k4m n ASN 563 N 0.88 -3.83 -3.63 -2.24 4.13 -0.94 -4.82 115.26 104.80 3k4m n ASN 563 Ca 0.21 -1.05 -0.18 0.00 1.68 0.00 0.00 54.58 55.24 3k4m n ASN 563 Cb 0.73 -1.40 -0.09 0.00 -1.54 0.00 0.00 39.78 37.49 3k4m n ASN 563 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k4m s VAL 566 N -1.97 0.84 0.01 0.00 -7.23 -1.20 -2.51 120.40 108.35 3k4m s VAL 566 Ca 0.00 -1.42 -0.00 0.00 -1.81 0.00 0.00 61.98 58.75 3k4m s VAL 566 Cb 0.00 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 35.85 3k4m s VAL 566 CO 0.00 -0.45 0.02 -0.46 -0.31 0.00 0.00 175.10 173.89 3k4m n ASN 567 N 0.95 0.01 0.00 4.85 0.23 -0.72 -1.60 115.26 118.98 3k4m n ASN 567 Ca -0.19 -1.01 0.11 0.00 -0.53 0.00 0.00 54.58 52.96 3k4m n ASN 567 Cb 0.56 -0.01 0.68 0.00 -2.08 0.00 0.00 39.78 38.93 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 -1.60 0.00 -0.39 5.53 -2.24 -1.25 -0.09 114.28 114.23 3k4m n THR 568 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.88 3k4m n THR 568 Cb 0.01 -0.58 0.33 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.96 4.30 -1.16 3.42 8.00 -1.26 -4.69 116.55 124.19 3k4m n ASP 569 Ca 0.17 -2.31 -0.14 0.00 0.71 0.00 0.00 54.79 53.22 3k4m n ASP 569 Cb 0.08 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 40.58 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 1.18 -4.81 -4.78 -2.24 7.64 0.87 -4.45 113.62 107.04 3k4m n SER 570 Ca 0.24 0.34 -0.39 0.00 1.01 0.00 0.00 58.87 60.07 3k4m n SER 570 Cb 0.78 -3.96 -0.06 0.00 -1.01 0.00 0.00 64.21 59.96 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 -3.09 4.51 0.13 1.43 3.52 -1.26 -1.90 118.95 122.28 3k4m s ARG 571 Ca 0.00 1.09 -0.30 0.00 -0.13 0.00 0.00 55.73 56.39 3k4m s ARG 571 Cb 0.00 -3.27 -0.07 0.00 -1.56 0.00 0.00 34.95 30.04 3k4m s ARG 571 CO 0.00 0.54 1.26 0.08 -0.81 0.00 0.00 175.30 176.37 3k4m s VAL 572 N -0.99 3.62 0.19 7.11 1.01 -0.51 -1.76 120.40 129.08 3k4m s VAL 572 Ca 0.35 1.24 -0.33 0.00 0.00 0.00 0.00 61.98 63.24 3k4m s VAL 572 Cb -0.22 -3.79 -0.14 0.00 0.00 0.00 0.00 36.38 32.22 3k4m s VAL 572 CO 0.25 0.14 1.44 0.49 0.00 0.00 0.00 175.10 177.42 3k4m n PHE 573 N 3.36 2.06 0.00 5.22 3.72 -1.04 -1.23 117.46 129.55 3k4m n PHE 573 Ca 0.08 0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.89 3k4m n PHE 573 Cb 0.44 -2.46 0.00 0.00 -0.94 0.00 0.00 39.48 36.52 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 2.65 3.11 3.54 1.37 0.00 -1.26 -4.99 105.19 109.60 3k4m n GLY 574 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3k4m n GLY 574 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4m s PHE 575 N -1.58 3.10 0.13 1.61 0.40 -0.37 -4.03 117.98 117.24 3k4m s PHE 575 Ca 0.00 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.15 3k4m s PHE 575 Cb 0.00 -2.02 -0.12 0.00 0.51 0.00 0.00 43.02 41.39 3k4m s PHE 575 CO 0.00 -0.00 1.29 0.87 0.70 0.00 0.00 175.22 178.08 3k4m h LYS 576 N 6.83 0.19 0.00 0.44 6.56 -1.61 -3.39 116.57 125.59 3k4m h LYS 576 Ca -0.34 -0.25 -0.03 0.00 -1.06 0.00 0.00 60.65 58.98 3k4m h LYS 576 Cb 1.18 0.08 -0.06 0.00 -0.57 0.00 0.00 32.23 32.86 3k4m h LYS 576 CO 0.65 1.04 -0.40 0.27 -2.06 0.00 0.00 179.45 178.94 3k4m n ASN 577 N -3.57 1.34 -4.25 0.86 6.94 -1.26 -5.03 115.26 110.29 3k4m n ASN 577 Ca -0.04 -2.76 -0.33 0.00 -0.02 0.00 0.00 54.58 51.42 3k4m n ASN 577 Cb 0.89 -0.36 -0.15 0.00 -2.36 0.00 0.00 39.78 37.79 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 -1.67 2.44 0.10 -4.53 2.96 -1.26 -0.89 118.68 115.83 3k4m s LEU 578 Ca 0.24 -0.49 0.08 0.00 -0.22 0.00 0.00 54.13 53.74 3k4m s LEU 578 Cb 0.23 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 3k4m s LEU 578 CO -0.03 0.08 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.52 3k4m s PHE 579 N 0.86 1.72 -0.08 5.38 0.40 0.12 -1.42 117.98 124.96 3k4m s PHE 579 Ca -0.04 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 55.88 3k4m s PHE 579 Cb -0.15 -0.94 0.01 0.00 0.51 0.00 0.00 43.02 42.46 3k4m s PHE 579 CO -0.01 0.19 -0.12 -0.51 0.70 0.00 0.00 175.22 175.47 3k4m s LEU 580 N -1.93 1.59 0.07 -0.37 1.43 -0.80 -0.25 118.68 118.42 3k4m s LEU 580 Ca 0.06 -0.31 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 3k4m s LEU 580 Cb -0.10 -0.85 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 3k4m s LEU 580 CO 0.04 0.01 -0.23 -0.83 0.23 0.00 0.00 176.35 175.58 3k4m s GLY 581 N 0.83 1.27 0.00 -3.19 0.00 -0.18 -4.79 107.32 101.25 3k4m s GLY 581 Ca -0.11 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.40 3k4m s GLY 581 CO 0.02 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.57 3k4m n GLY 582 N 1.47 2.25 0.35 0.20 0.00 -1.26 -4.32 105.19 103.88 3k4m n GLY 582 Ca -0.18 -1.86 0.17 0.00 0.00 0.00 0.00 46.02 44.16 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 0.00 0.00 2.00 0.00 0.00 -1.90 -1.09 103.07 102.08 3k4m h GLY 584 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3k4m h GLY 584 CO -0.00 0.00 0.00 3.43 0.00 0.00 0.00 176.54 179.97 3k4m h ASN 585 N 0.00 0.00 -3.26 0.19 2.35 -1.26 -1.66 115.58 111.95 3k4m h ASN 585 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 3k4m h ASN 585 Cb 0.22 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.52 3k4m h ASN 585 CO 0.00 0.00 0.69 -0.63 -1.65 0.00 0.00 177.43 175.84 3k4m s ILE 586 N -3.28 4.66 -1.03 2.81 1.01 -0.41 0.21 121.20 125.16 3k4m s ILE 586 Ca 0.07 1.69 0.22 0.00 0.00 0.00 0.00 60.65 62.63 3k4m s ILE 586 Cb 0.09 -4.29 -0.15 0.00 0.01 0.00 0.00 42.46 38.12 3k4m s ILE 586 CO 0.58 -0.29 1.06 -0.81 0.00 0.00 0.00 174.94 175.48 3k4m n PRO 587 N 6.45 0.04 -2.47 2.79 -0.04 -1.26 -1.20 135.00 139.30 3k4m n PRO 587 Ca 0.09 -0.03 -0.24 0.00 -0.04 0.00 0.00 63.50 63.28 3k4m n PRO 587 Cb 0.47 -1.50 0.04 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 -2.98 3.01 -0.28 0.52 -4.23 -1.26 -4.76 115.64 105.66 3k4m s THR 588 Ca 0.09 -0.32 -0.27 0.00 -1.18 0.00 0.00 61.69 60.02 3k4m s THR 588 Cb 0.17 -3.20 0.01 0.00 1.34 0.00 0.00 72.50 70.81 3k4m s THR 588 CO 0.81 -0.18 0.95 0.00 -0.54 0.00 0.00 174.62 175.66 3k4m s ALA 589 N -2.96 3.58 0.00 3.99 0.00 -1.26 -4.85 121.76 120.26 3k4m s ALA 589 Ca 0.56 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.41 3k4m s ALA 589 Cb -0.10 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.53 3k4m s ALA 589 CO 0.42 -1.21 -0.01 1.52 0.00 0.00 0.00 175.76 176.48 3k4m s TYR 590 N 3.23 0.08 -0.18 0.00 1.13 -1.26 -4.58 117.35 115.76 3k4m s TYR 590 Ca 0.40 -0.04 0.12 0.00 -1.41 0.00 0.00 57.07 56.14 3k4m s TYR 590 Cb -0.14 -0.05 -0.23 0.00 -1.10 0.00 0.00 41.96 40.44 3k4m s TYR 590 CO 0.11 -0.01 0.12 0.41 -2.51 0.00 0.00 175.55 173.67 3k4m n GLY 591 N 2.98 -0.83 3.79 5.49 0.00 -1.26 -4.29 105.19 111.08 3k4m n GLY 591 Ca -0.13 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.52 2.46 0.19 4.61 0.00 -1.26 -4.40 121.76 120.84 3k4m s ALA 592 Ca -0.15 0.19 -0.31 0.00 0.00 0.00 0.00 51.96 51.69 3k4m s ALA 592 Cb 0.07 -3.23 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 3k4m s ALA 592 CO 0.77 -1.50 1.52 -0.80 0.00 0.00 0.00 175.76 175.76 3k4m s ASN 593 N -3.55 6.61 0.16 0.00 -0.87 -1.26 -4.89 114.94 111.14 3k4m s ASN 593 Ca 0.60 2.62 0.27 0.00 -1.57 0.00 0.00 52.86 54.78 3k4m s ASN 593 Cb -0.16 -2.60 0.92 0.00 -0.02 0.00 0.00 41.25 39.39 3k4m s ASN 593 CO 0.55 -0.78 1.81 -0.81 -2.57 0.00 0.00 177.10 175.30 3k4m n PRO 594 N 3.44 0.20 -0.10 -0.60 -0.04 -1.26 -4.45 135.00 132.18 3k4m n PRO 594 Ca 0.11 0.17 -0.06 0.00 -0.04 0.00 0.00 63.50 63.68 3k4m n PRO 594 Cb 0.39 -1.73 0.12 0.00 -0.04 0.00 0.00 33.50 32.24 3k4m n PRO 594 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3k4m h THR 595 N 0.00 1.26 0.00 0.52 2.02 -1.90 -1.39 112.91 113.42 3k4m h THR 595 Ca 0.00 -1.16 -0.05 0.00 0.77 0.00 0.00 66.41 65.97 3k4m h THR 595 Cb 0.67 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3k4m h THR 595 CO 0.00 0.40 -0.24 0.25 0.37 0.00 0.00 175.52 176.30 3k4m h LEU 596 N 0.72 0.00 0.02 2.58 5.85 -1.86 -0.63 115.31 121.98 3k4m h LEU 596 Ca 0.12 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3k4m h LEU 596 Cb 0.58 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.62 3k4m h LEU 596 CO 0.04 0.24 -0.29 0.74 -0.34 0.00 0.00 178.44 178.82 3k4m h THR 597 N 0.00 1.58 -0.78 1.05 2.02 -1.58 -2.56 112.91 112.63 3k4m h THR 597 Ca -0.00 -2.08 0.08 0.00 0.77 0.00 0.00 66.41 65.18 3k4m h THR 597 Cb 0.57 2.91 -0.05 0.00 -1.74 0.00 0.00 68.15 69.84 3k4m h THR 597 CO 0.03 0.57 0.51 0.00 0.37 0.00 0.00 175.52 177.00 3k4m h ALA 598 N 0.20 1.73 -0.06 6.16 0.00 -1.00 -1.24 119.26 125.05 3k4m h ALA 598 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3k4m h ALA 598 Cb 1.09 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3k4m h ALA 598 CO 0.06 0.13 0.02 1.98 0.00 0.00 0.00 179.25 181.43 3k4m h MET 599 N 0.76 0.09 -0.80 0.00 -1.53 -1.12 -1.11 114.93 111.22 3k4m h MET 599 Ca 0.35 -0.02 0.10 0.00 -3.44 0.00 0.00 59.70 56.69 3k4m h MET 599 Cb 0.37 -0.01 -0.08 0.00 -0.55 0.00 0.00 31.60 31.33 3k4m h MET 599 CO -0.13 0.26 0.44 0.77 0.14 0.00 0.00 176.91 178.39 3k4m h SER 600 N -0.10 0.59 -0.31 1.39 0.02 -0.98 0.11 113.55 114.28 3k4m h SER 600 Ca 0.02 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 3k4m h SER 600 Cb 0.21 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 3k4m h SER 600 CO -0.00 0.32 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.93 3k4m h LEU 601 N 0.71 0.63 -0.54 5.07 3.38 -0.99 -2.56 115.31 121.01 3k4m h LEU 601 Ca 0.40 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 3k4m h LEU 601 Cb 0.42 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3k4m h LEU 601 CO -0.27 0.72 0.20 0.00 0.09 0.00 0.00 178.44 179.17 3k4m h ALA 602 N 1.36 0.71 -0.19 1.53 0.00 0.41 0.47 119.26 123.53 3k4m h ALA 602 Ca 0.13 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3k4m h ALA 602 Cb 0.42 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3k4m h ALA 602 CO 0.02 0.34 -0.19 0.82 0.00 0.00 0.00 179.25 180.23 3k4m h ILE 603 N 0.74 0.50 -0.20 0.00 2.04 -0.70 0.65 117.51 120.54 3k4m h ILE 603 Ca 0.18 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.07 3k4m h ILE 603 Cb 0.23 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3k4m h ILE 603 CO -0.01 0.00 0.01 0.50 0.00 0.00 0.00 178.15 178.65 3k4m h LYS 604 N -0.21 0.07 -0.93 2.37 3.64 -1.04 0.15 116.57 120.62 3k4m h LYS 604 Ca 0.12 -0.00 0.26 0.00 -1.27 0.00 0.00 60.65 59.76 3k4m h LYS 604 Cb 0.39 -0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.05 3k4m h LYS 604 CO -0.32 0.05 0.39 1.03 -2.27 0.00 0.00 179.45 178.33 3k4m h SER 605 N 0.08 0.26 -0.33 4.20 0.87 -0.35 -1.84 113.55 116.43 3k4m h SER 605 Ca 0.09 0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.72 3k4m h SER 605 Cb 0.11 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3k4m h SER 605 CO -0.15 -0.11 -0.20 0.00 -0.53 0.00 0.00 176.83 175.83 3k4m h GLU 607 N 0.71 0.92 -0.47 0.00 5.08 -0.70 0.25 114.58 120.36 3k4m h GLU 607 Ca 0.10 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 3k4m h GLU 607 Cb 0.72 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3k4m h GLU 607 CO 0.06 0.61 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.61 3k4m h TYR 608 N 0.95 1.06 -0.60 4.33 5.03 -0.78 -2.77 116.97 124.19 3k4m h TYR 608 Ca 0.51 -0.24 -0.09 0.00 2.58 0.00 0.00 58.73 61.49 3k4m h TYR 608 Cb 0.56 -0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.56 3k4m h TYR 608 CO -0.00 1.03 0.02 0.82 -1.32 0.00 0.00 178.16 178.71 3k4m h ILE 609 N 0.79 1.26 0.00 1.81 2.04 -0.54 -1.85 117.51 121.02 3k4m h ILE 609 Ca 0.12 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 3k4m h ILE 609 Cb 0.71 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3k4m h ILE 609 CO 0.05 0.40 -0.06 0.11 0.00 0.00 0.00 178.15 178.65 3k4m h LYS 610 N 0.95 0.00 0.00 2.37 1.57 -0.41 -1.96 116.57 119.09 3k4m h LYS 610 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3k4m h LYS 610 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3k4m h LYS 610 CO 0.03 0.06 -0.86 1.04 -0.57 0.00 0.00 179.45 179.15 3k4m n GLN 611 N -3.32 0.02 0.00 3.15 6.02 -0.73 -4.61 117.38 117.90 3k4m n GLN 611 Ca -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3k4m n GLN 611 Cb 0.24 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.00 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 -1.52 0.58 -3.73 1.08 3.02 -0.79 -5.02 115.26 108.87 3k4m n ASN 612 Ca 0.04 -1.25 -0.12 0.00 -0.03 0.00 0.00 54.58 53.22 3k4m n ASN 612 Cb 0.34 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.25 -0.38 -0.18 3.10 0.08 -0.88 -5.06 117.98 114.41 3k4m s PHE 613 Ca 0.00 0.87 -0.05 0.00 0.12 0.00 0.00 56.93 57.87 3k4m s PHE 613 Cb 0.00 0.10 -0.03 0.00 -0.57 0.00 0.00 43.02 42.52 3k4m s PHE 613 CO 0.00 -0.23 0.00 0.99 -0.10 0.00 0.00 175.22 175.88 3k4m s THR 614 N 1.02 4.13 0.25 0.64 2.01 -1.26 -4.71 115.64 117.71 3k4m s THR 614 Ca -0.07 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.37 3k4m s THR 614 Cb -0.08 -2.85 -0.10 0.00 0.01 0.00 0.00 72.50 69.48 3k4m s THR 614 CO -0.07 0.46 1.47 -2.16 -0.69 0.00 0.00 174.62 173.62 3k4m s PRO 615 N 0.63 4.24 0.84 4.92 0.04 -1.26 -4.94 135.00 139.47 3k4m s PRO 615 Ca -0.00 2.34 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 3k4m s PRO 615 Cb -0.14 -3.10 0.10 0.00 0.04 0.00 0.00 34.50 31.40 3k4m s PRO 615 CO 0.02 -0.46 1.14 -1.54 0.04 0.00 0.00 177.00 176.20 3k4m s SER 616 N 0.44 3.59 0.50 6.66 1.04 -1.26 -4.96 113.70 119.71 3k4m s SER 616 Ca 0.61 2.10 -0.19 0.00 0.48 0.00 0.00 55.95 58.95 3k4m s SER 616 Cb -0.43 -2.56 -0.08 0.00 0.10 0.00 0.00 66.02 63.06 3k4m s SER 616 CO 0.43 -2.65 1.02 -2.16 0.98 0.00 0.00 173.24 170.86 3k4m s PRO 617 N -4.61 3.80 -0.01 4.02 0.04 -1.26 -4.87 135.00 132.10 3k4m s PRO 617 Ca 0.66 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 3k4m s PRO 617 Cb -0.22 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 3k4m s PRO 617 CO 0.55 -0.42 1.55 0.12 0.04 0.00 0.00 177.00 178.84 3k4m s PHE 618 N -2.15 2.44 0.00 0.56 2.19 -1.26 -5.12 117.98 114.64 3k4m s PHE 618 Ca 0.65 0.48 0.00 0.00 0.33 0.00 0.00 56.93 58.39 3k4m s PHE 618 Cb -0.15 -3.82 0.00 0.00 -1.31 0.00 0.00 43.02 37.75 3k4m s PHE 618 CO 0.23 -3.26 0.40 -2.37 1.83 0.00 0.00 175.22 172.05