#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4m s ASP 44 N 0.00 6.07 0.26 6.12 1.01 -1.26 -4.99 116.67 123.87 3k4m s ASP 44 Ca 0.00 0.21 -0.03 0.00 0.71 0.00 0.00 52.55 53.44 3k4m s ASP 44 Cb 0.00 -1.67 0.42 0.00 1.01 0.00 0.00 42.92 42.68 3k4m s ASP 44 CO 0.00 -0.43 1.84 0.40 0.21 0.00 0.00 175.17 177.19 3k4m h ILE 45 N 0.72 0.98 -2.89 0.77 2.04 -1.94 -3.46 117.51 113.73 3k4m h ILE 45 Ca -0.48 -0.33 -0.18 0.00 1.00 0.00 0.00 64.86 64.87 3k4m h ILE 45 Cb 1.24 -0.06 -0.30 0.00 -0.74 0.00 0.00 36.82 36.96 3k4m h ILE 45 CO 0.58 0.17 -0.45 -0.75 0.00 0.00 0.00 178.15 177.70 3k4m s LYS 46 N -6.02 0.24 0.22 2.37 2.47 -1.26 -0.77 119.74 116.99 3k4m s LYS 46 Ca -0.12 0.65 0.11 0.00 -1.56 0.00 0.00 55.97 55.04 3k4m s LYS 46 Cb 0.20 -0.06 -0.05 0.00 -1.46 0.00 0.00 37.83 36.46 3k4m s LYS 46 CO 0.80 -0.19 -0.20 0.71 0.16 0.00 0.00 175.35 176.62 3k4m s TYR 47 N 1.58 2.13 0.09 4.03 1.51 -0.53 -4.99 117.35 121.18 3k4m s TYR 47 Ca -0.07 -0.39 -0.26 0.00 -1.01 0.00 0.00 57.07 55.34 3k4m s TYR 47 Cb -0.10 -1.00 -0.13 0.00 -0.11 0.00 0.00 41.96 40.62 3k4m s TYR 47 CO -0.10 0.53 1.69 -0.44 -1.11 0.00 0.00 175.55 176.12 3k4m h ASP 48 N 2.81 -0.35 -3.51 2.29 3.32 -1.55 -3.06 116.42 116.37 3k4m h ASP 48 Ca -0.42 0.03 -0.40 0.00 0.02 0.00 0.00 57.03 56.26 3k4m h ASP 48 Cb 1.23 0.12 -0.33 0.00 0.22 0.00 0.00 39.33 40.56 3k4m h ASP 48 CO 0.54 -0.21 -0.77 -0.69 -1.72 0.00 0.00 179.24 176.40 3k4m s VAL 49 N -6.14 0.49 -0.12 -1.35 1.01 -1.00 -1.19 120.40 112.11 3k4m s VAL 49 Ca -0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 3k4m s VAL 49 Cb 0.06 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 3k4m s VAL 49 CO 0.65 0.21 -0.02 0.68 0.00 0.00 0.00 175.10 176.62 3k4m s VAL 50 N 0.81 4.12 -0.17 2.92 -7.23 -0.81 -0.95 120.40 119.09 3k4m s VAL 50 Ca -0.11 -0.30 0.01 0.00 -1.81 0.00 0.00 61.98 59.77 3k4m s VAL 50 Cb -0.13 -2.77 0.01 0.00 0.56 0.00 0.00 36.38 34.05 3k4m s VAL 50 CO 0.00 0.54 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.53 3k4m s ILE 51 N -0.25 2.32 -0.45 -0.62 1.01 0.33 -1.18 121.20 122.35 3k4m s ILE 51 Ca 0.05 -0.87 -0.22 0.00 0.00 0.00 0.00 60.65 59.61 3k4m s ILE 51 Cb -0.13 -1.97 0.03 0.00 0.01 0.00 0.00 42.46 40.40 3k4m s ILE 51 CO 0.02 0.53 0.71 -0.69 0.00 0.00 0.00 174.94 175.51 3k4m s VAL 52 N 1.09 4.74 0.00 2.92 1.01 -0.04 -0.57 120.40 129.55 3k4m s VAL 52 Ca -0.00 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3k4m s VAL 52 Cb -0.14 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.96 3k4m s VAL 52 CO -0.06 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 174.96 3k4m n GLY 53 N 5.03 3.00 0.85 4.51 0.00 0.97 -0.56 105.19 119.00 3k4m n GLY 53 Ca -0.00 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.72 3k4m n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k4m n SER 54 N 0.00 3.30 -2.85 1.61 3.41 -1.26 -4.22 113.62 113.61 3k4m n SER 54 Ca 0.00 -3.24 -0.11 0.00 -0.26 0.00 0.00 58.87 55.26 3k4m n SER 54 Cb 0.00 -0.55 0.09 0.00 -0.26 0.00 0.00 64.21 63.49 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 -0.80 -2.18 0.21 5.00 0.00 -1.26 -2.56 105.19 103.59 3k4m n GLY 55 Ca 0.24 -1.53 0.07 0.00 0.00 0.00 0.00 46.02 44.80 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 0.10 1.61 0.13 -1.93 -1.25 132.00 130.66 3k4m h PRO 56 Ca -0.16 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.71 3k4m h PRO 56 Cb 0.47 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.61 3k4m h PRO 56 CO 0.11 0.31 -1.16 0.82 -0.23 0.00 0.00 178.00 177.84 3k4m h ILE 57 N 0.00 1.44 -0.39 -3.56 1.08 -1.91 -2.33 117.51 111.83 3k4m h ILE 57 Ca -0.00 -2.79 -0.12 0.00 -0.39 0.00 0.00 64.86 61.56 3k4m h ILE 57 Cb 0.76 2.76 -0.01 0.00 -3.07 0.00 0.00 36.82 37.25 3k4m h ILE 57 CO 0.04 0.82 -0.23 1.23 -0.69 0.00 0.00 178.15 179.33 3k4m h GLY 58 N 1.28 0.84 1.84 5.37 0.00 -1.62 -2.53 103.07 108.26 3k4m h GLY 58 Ca -0.13 -0.72 -0.06 0.00 0.00 0.00 0.00 47.33 46.41 3k4m h GLY 58 CO 0.20 0.66 -0.23 0.00 0.00 0.00 0.00 176.54 177.17 3k4m h THR 60 N 0.17 1.15 -0.44 0.00 2.02 -0.97 0.58 112.91 115.41 3k4m h THR 60 Ca 0.03 -0.31 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 3k4m h THR 60 Cb 0.50 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3k4m h THR 60 CO 0.03 0.16 -0.12 1.88 0.37 0.00 0.00 175.52 177.84 3k4m h TYR 61 N 0.90 0.89 -0.11 3.16 0.05 -1.35 -2.17 116.97 118.35 3k4m h TYR 61 Ca 0.26 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 3k4m h TYR 61 Cb -0.06 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.45 3k4m h TYR 61 CO -0.03 0.88 0.00 0.00 -1.05 0.00 0.00 178.16 177.97 3k4m h ALA 62 N 1.13 0.15 -0.64 3.88 0.00 -1.04 0.15 119.26 122.88 3k4m h ALA 62 Ca 0.12 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3k4m h ALA 62 Cb 0.62 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3k4m h ALA 62 CO 0.04 -0.17 0.34 -0.09 0.00 0.00 0.00 179.25 179.37 3k4m h ARG 63 N -0.07 0.61 -0.00 0.00 2.43 -0.79 0.77 114.38 117.32 3k4m h ARG 63 Ca 0.03 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3k4m h ARG 63 Cb 0.35 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3k4m h ARG 63 CO 0.01 0.40 -0.00 0.93 -1.51 0.00 0.00 179.97 179.79 3k4m h GLU 64 N 0.63 0.01 0.12 0.20 4.39 -1.19 -2.40 114.58 116.34 3k4m h GLU 64 Ca 0.29 -0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.71 3k4m h GLU 64 Cb 0.21 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3k4m h GLU 64 CO -0.19 0.61 -1.22 -0.07 -1.16 0.00 0.00 179.01 176.97 3k4m h LEU 65 N -0.59 0.48 -0.49 1.33 3.38 -0.50 -1.92 115.31 117.00 3k4m h LEU 65 Ca -0.00 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 3k4m h LEU 65 Cb 0.61 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3k4m h LEU 65 CO 0.00 1.37 0.08 0.58 0.09 0.00 0.00 178.44 180.56 3k4m h VAL 66 N 0.10 1.25 0.00 1.22 2.07 0.45 -2.12 116.25 119.22 3k4m h VAL 66 Ca -0.14 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 3k4m h VAL 66 Cb 1.93 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 3k4m h VAL 66 CO 0.21 0.33 -0.14 1.23 0.02 0.00 0.00 177.57 179.21 3k4m h GLY 67 N 0.68 0.00 -1.57 2.17 0.00 -1.38 -0.38 103.07 102.59 3k4m h GLY 67 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3k4m h GLY 67 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 3k4m n ALA 68 N -2.30 2.45 -0.60 3.60 0.00 -0.73 -4.92 120.51 118.00 3k4m n ALA 68 Ca -0.02 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3k4m n ALA 68 Cb 0.26 -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 1.16 0.67 3.84 0.00 0.00 -0.15 -4.89 105.19 105.82 3k4m n GLY 69 Ca 0.14 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3k4m n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k4m s TYR 70 N -2.00 3.36 -0.46 1.61 1.51 -0.84 -4.70 117.35 115.82 3k4m s TYR 70 Ca 0.00 1.42 -0.22 0.00 -1.01 0.00 0.00 57.07 57.26 3k4m s TYR 70 Cb 0.00 -2.71 0.03 0.00 -0.11 0.00 0.00 41.96 39.17 3k4m s TYR 70 CO 0.00 -0.06 0.72 0.21 -1.11 0.00 0.00 175.55 175.31 3k4m s LYS 71 N -3.24 3.31 -0.04 -0.62 2.20 -1.26 -4.29 119.74 115.81 3k4m s LYS 71 Ca 0.58 -0.32 0.05 0.00 -0.36 0.00 0.00 55.97 55.92 3k4m s LYS 71 Cb -0.10 -3.97 -0.02 0.00 -1.51 0.00 0.00 37.83 32.23 3k4m s LYS 71 CO 0.17 -1.12 -0.18 0.08 -0.36 0.00 0.00 175.35 173.95 3k4m s VAL 72 N 3.09 2.78 -0.05 4.02 1.01 -0.72 -1.41 120.40 129.13 3k4m s VAL 72 Ca 0.25 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.47 3k4m s VAL 72 Cb -0.14 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3k4m s VAL 72 CO 0.20 0.59 -0.24 0.00 0.00 0.00 0.00 175.10 175.64 3k4m s ALA 73 N -0.68 2.20 -0.17 5.51 0.00 -0.13 -2.05 121.76 126.46 3k4m s ALA 73 Ca 0.11 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.01 3k4m s ALA 73 Cb -0.11 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.37 3k4m s ALA 73 CO 0.00 0.45 -0.18 1.41 0.00 0.00 0.00 175.76 177.44 3k4m s MET 74 N -0.32 2.77 -0.05 0.00 1.75 -0.39 -0.51 119.30 122.55 3k4m s MET 74 Ca 0.01 -0.75 -0.12 0.00 -1.25 0.00 0.00 55.69 53.59 3k4m s MET 74 Cb -0.12 -2.41 -0.05 0.00 2.84 0.00 0.00 34.83 35.09 3k4m s MET 74 CO 0.02 -0.20 0.30 -0.06 -0.65 0.00 0.00 175.02 174.43 3k4m s PHE 75 N 1.31 3.67 -0.01 4.11 0.08 0.26 -0.66 117.98 126.73 3k4m s PHE 75 Ca 0.04 0.80 0.01 0.00 0.12 0.00 0.00 56.93 57.91 3k4m s PHE 75 Cb -0.13 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.17 3k4m s PHE 75 CO -0.11 0.67 -0.05 0.34 -0.10 0.00 0.00 175.22 175.97 3k4m s ASP 76 N -1.01 0.68 0.52 1.36 -1.08 -0.48 -0.02 116.67 116.64 3k4m s ASP 76 Ca 0.20 -0.10 0.31 0.00 -0.52 0.00 0.00 52.55 52.44 3k4m s ASP 76 Cb -0.15 -0.16 1.16 0.00 -1.46 0.00 0.00 42.92 42.31 3k4m s ASP 76 CO 0.09 0.03 1.91 -0.29 0.52 0.00 0.00 175.17 177.43 3k4m h ILE 77 N 5.36 0.10 -5.80 4.11 2.10 -1.80 0.23 117.51 121.81 3k4m h ILE 77 Ca -0.32 -0.68 -0.41 0.00 1.08 0.00 0.00 64.86 64.53 3k4m h ILE 77 Cb 1.18 1.62 -0.00 0.00 -1.09 0.00 0.00 36.82 38.53 3k4m h ILE 77 CO 0.49 0.04 -0.11 0.61 -1.08 0.00 0.00 178.15 178.10 3k4m n GLY 78 N 0.19 2.28 3.49 8.18 0.00 -1.26 -3.82 105.19 114.24 3k4m n GLY 78 Ca 0.01 -2.23 -0.24 0.00 0.00 0.00 0.00 46.02 43.56 3k4m n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4m s GLU 79 N -3.94 1.68 -0.25 1.61 2.02 -1.26 -1.77 118.70 116.80 3k4m s GLU 79 Ca 0.39 -1.85 -0.29 0.00 0.02 0.00 0.00 54.97 53.24 3k4m s GLU 79 Cb -0.03 -1.49 -0.02 0.00 0.10 0.00 0.00 34.13 32.69 3k4m s GLU 79 CO 0.25 0.13 1.60 0.42 0.02 0.00 0.00 175.26 177.67 3k4m s ILE 80 N -2.76 3.72 -0.33 -1.63 1.01 -1.26 -1.14 121.20 118.82 3k4m s ILE 80 Ca 0.31 0.80 0.17 0.00 0.00 0.00 0.00 60.65 61.92 3k4m s ILE 80 Cb 0.02 -3.76 0.45 0.00 0.01 0.00 0.00 42.46 39.18 3k4m s ILE 80 CO 0.14 -0.35 1.13 -0.90 0.00 0.00 0.00 174.94 174.97 3k4m n ASP 81 N 8.59 0.48 -1.34 3.58 5.75 -1.26 -4.96 116.55 127.39 3k4m n ASP 81 Ca 0.19 -2.46 0.01 0.00 -0.01 0.00 0.00 54.79 52.52 3k4m n ASP 81 Cb 0.46 -0.08 -0.00 0.00 -1.03 0.00 0.00 41.12 40.47 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 -0.44 0.44 0.00 -1.12 7.64 -1.26 -5.05 113.62 113.83 3k4m n SER 82 Ca 0.03 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.92 3k4m n SER 82 Cb 0.83 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 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 0.35 -2.08 0.17 0.23 0.00 -1.26 -4.44 105.19 98.16 3k4m n GLY 83 Ca -0.03 -1.68 0.07 0.00 0.00 0.00 0.00 46.02 44.37 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 -8.55 0.99 3.38 -2.02 -3.39 115.31 105.72 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 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3k4m h LEU 84 CO 0.00 0.28 1.13 -0.54 0.09 0.00 0.00 178.44 179.40 3k4m s LYS 85 N -3.07 3.20 0.10 1.13 1.02 -1.26 -4.97 119.74 115.89 3k4m s LYS 85 Ca 0.05 0.38 -0.31 0.00 0.02 0.00 0.00 55.97 56.12 3k4m s LYS 85 Cb 0.06 -4.17 -0.09 0.00 -0.52 0.00 0.00 37.83 33.12 3k4m s LYS 85 CO 0.71 -2.07 1.69 0.42 -0.92 0.00 0.00 175.35 175.19 3k4m s ILE 86 N 6.40 2.81 -0.74 2.17 1.01 -1.26 -2.49 121.20 129.10 3k4m s ILE 86 Ca 0.52 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.51 3k4m s ILE 86 Cb -0.11 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.14 3k4m s ILE 86 CO 0.23 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.78 3k4m n GLY 87 N 4.03 0.91 3.96 6.18 0.00 -1.26 -4.23 105.19 114.77 3k4m n GLY 87 Ca 0.16 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.26 3.27 -0.03 4.61 0.00 -1.04 -2.24 121.76 124.07 3k4m s ALA 88 Ca 0.00 -1.35 -0.30 0.00 0.00 0.00 0.00 51.96 50.31 3k4m s ALA 88 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 3k4m s ALA 88 CO 0.00 -1.53 1.34 -1.58 0.00 0.00 0.00 175.76 173.99 3k4m s HIS 89 N -3.28 2.92 -0.24 0.00 2.46 -1.26 -4.50 115.29 111.40 3k4m s HIS 89 Ca 0.65 0.93 0.27 0.00 0.47 0.00 0.00 55.06 57.38 3k4m s HIS 89 Cb -0.07 -3.59 1.19 0.00 -0.13 0.00 0.00 32.58 29.98 3k4m s HIS 89 CO 0.45 -2.11 1.80 0.87 -2.47 0.00 0.00 174.74 173.29 3k4m h LYS 90 N 7.80 0.00 0.00 2.88 1.57 -1.42 -1.90 116.57 125.50 3k4m h LYS 90 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3k4m h LYS 90 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3k4m h LYS 90 CO 0.90 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.95 3k4m n LYS 91 N -2.47 0.12 -0.53 3.15 4.81 -1.26 -4.12 118.16 117.86 3k4m n LYS 91 Ca 0.01 0.13 -0.01 0.00 -0.87 0.00 0.00 58.31 57.57 3k4m n LYS 91 Cb 0.20 -1.65 -0.01 0.00 0.02 0.00 0.00 35.03 33.59 3k4m n LYS 91 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k4m n ASN 92 N -1.86 5.21 -4.52 3.14 3.02 -0.72 -4.34 115.26 115.20 3k4m n ASN 92 Ca 0.06 -2.38 -0.33 0.00 -0.03 0.00 0.00 54.58 51.89 3k4m n ASN 92 Cb 0.36 -1.12 -0.12 0.00 -0.61 0.00 0.00 39.78 38.28 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 0.13 3.47 0.31 3.41 -4.23 -1.26 -5.00 115.64 112.47 3k4m s THR 93 Ca 0.05 -0.55 0.04 0.00 -1.18 0.00 0.00 61.69 60.05 3k4m s THR 93 Cb 0.03 -2.42 0.41 0.00 1.34 0.00 0.00 72.50 71.85 3k4m s THR 93 CO 0.00 0.57 1.53 0.52 -0.54 0.00 0.00 174.62 176.71 3k4m n VAL 94 N 2.58 -0.41 0.03 2.29 0.31 -1.26 -0.71 118.33 121.16 3k4m n VAL 94 Ca -0.18 2.14 -0.04 0.00 -0.01 0.00 0.00 64.34 66.25 3k4m n VAL 94 Cb 0.53 -3.15 0.17 0.00 -0.91 0.00 0.00 33.84 30.47 3k4m n VAL 94 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3k4m h GLU 95 N 0.00 0.43 0.00 5.55 4.57 -1.94 -0.93 114.58 122.26 3k4m h GLU 95 Ca 0.62 -0.20 -0.20 0.00 -1.18 0.00 0.00 59.36 58.40 3k4m h GLU 95 Cb 1.32 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 3k4m h GLU 95 CO -0.90 0.74 -0.88 1.88 -1.18 0.00 0.00 179.01 178.66 3k4m h TYR 96 N 0.37 0.32 -0.00 0.92 0.05 -1.20 -1.93 116.97 115.49 3k4m h TYR 96 Ca 0.04 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.64 3k4m h TYR 96 Cb 0.81 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.52 3k4m h TYR 96 CO 0.02 0.99 -0.09 1.04 -1.05 0.00 0.00 178.16 179.08 3k4m n GLN 97 N -3.66 0.83 0.00 4.88 6.02 -0.81 -1.59 117.38 123.05 3k4m n GLN 97 Ca -0.04 -0.29 0.11 0.00 -0.01 0.00 0.00 57.00 56.76 3k4m n GLN 97 Cb 0.81 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.55 3k4m n GLN 97 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3k4m n LYS 98 N -0.83 0.05 -2.94 -1.09 5.02 -0.36 -4.61 118.16 113.39 3k4m n LYS 98 Ca 0.16 -0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.28 3k4m n LYS 98 Cb 0.27 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.45 1.09 0.15 4.39 3.02 -0.75 -5.00 115.26 116.71 3k4m n ASN 99 Ca 0.05 -2.87 0.11 0.00 -0.03 0.00 0.00 54.58 51.84 3k4m n ASN 99 Cb 0.34 -0.56 0.55 0.00 -0.61 0.00 0.00 39.78 39.49 3k4m n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k4m n ILE 100 N 0.12 0.95 0.11 2.41 3.06 -0.62 -1.47 119.36 123.92 3k4m n ILE 100 Ca 0.17 0.52 0.05 0.00 -2.50 0.00 0.00 62.75 61.00 3k4m n ILE 100 Cb 0.73 -1.49 0.01 0.00 0.54 0.00 0.00 39.64 39.43 3k4m n ILE 100 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 3k4m h ASP 101 N 0.00 0.00 -0.56 9.51 3.32 -1.84 -3.13 116.42 123.73 3k4m h ASP 101 Ca 0.00 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.21 3k4m h ASP 101 Cb 0.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3k4m h ASP 101 CO 0.00 0.33 0.57 0.11 -1.72 0.00 0.00 179.24 178.53 3k4m h LYS 102 N 0.00 0.00 0.00 3.56 1.79 -1.55 -2.04 116.57 118.33 3k4m h LYS 102 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 3k4m h LYS 102 Cb 1.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 3k4m h LYS 102 CO 0.03 0.00 0.00 0.35 -1.08 0.00 0.00 179.45 178.75 3k4m h PHE 103 N 0.00 0.00 0.00 -1.35 3.57 -1.70 -2.35 116.94 115.11 3k4m h PHE 103 Ca 0.26 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 3k4m h PHE 103 Cb 1.40 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 3k4m h PHE 103 CO 0.00 0.00 -0.19 -0.24 -2.23 0.00 0.00 178.31 175.65 3k4m h VAL 104 N 0.00 0.84 -0.01 1.41 3.04 -1.61 -1.32 116.25 118.60 3k4m h VAL 104 Ca 0.00 -0.75 -0.15 0.00 -1.01 0.00 0.00 66.70 64.78 3k4m h VAL 104 Cb 0.15 1.45 -0.02 0.00 -2.01 0.00 0.00 31.29 30.86 3k4m h VAL 104 CO 0.00 0.19 -0.71 0.78 -1.01 0.00 0.00 177.57 176.82 3k4m h ASN 105 N 0.00 0.06 -0.40 3.17 4.21 -1.66 -1.61 115.58 119.35 3k4m h ASN 105 Ca -0.00 -0.04 -0.06 0.00 1.21 0.00 0.00 56.30 57.40 3k4m h ASN 105 Cb 0.43 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.60 3k4m h ASN 105 CO 0.03 0.75 -0.00 0.58 -1.29 0.00 0.00 177.43 177.49 3k4m h VAL 106 N 0.03 1.26 0.39 2.81 2.07 -1.40 -0.99 116.25 120.43 3k4m h VAL 106 Ca -0.01 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3k4m h VAL 106 Cb 1.25 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3k4m h VAL 106 CO 0.10 0.34 -0.28 0.40 0.02 0.00 0.00 177.57 178.15 3k4m h ILE 107 N 0.53 0.42 0.00 4.57 2.04 -1.42 -2.84 117.51 120.82 3k4m h ILE 107 Ca 0.11 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 3k4m h ILE 107 Cb 0.48 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3k4m h ILE 107 CO 0.02 0.00 -0.02 1.56 0.00 0.00 0.00 178.15 179.71 3k4m h GLN 108 N -0.66 0.00 0.00 2.37 4.20 -1.30 -1.04 115.11 118.68 3k4m h GLN 108 Ca -0.04 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3k4m h GLN 108 Cb 0.56 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 3k4m h GLN 108 CO 0.01 0.02 -0.09 0.78 -0.67 0.00 0.00 178.83 178.88 3k4m h GLY 109 N 0.06 0.00 -1.85 3.46 0.00 -0.94 -3.18 103.07 100.62 3k4m h GLY 109 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3k4m h GLY 109 CO 0.00 0.00 -0.72 0.61 0.00 0.00 0.00 176.54 176.43 3k4m n GLN 110 N -3.24 0.83 -3.81 4.80 10.64 -0.43 -4.90 117.38 121.28 3k4m n GLN 110 Ca 0.00 -2.63 -0.36 0.00 -1.83 0.00 0.00 57.00 52.18 3k4m n GLN 110 Cb 0.35 -0.86 -0.12 0.00 -0.86 0.00 0.00 30.24 28.74 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 4.63 -0.31 2.61 1.43 -1.01 -4.05 118.68 120.28 3k4m s LEU 111 Ca 0.35 -1.60 -0.12 0.00 -1.03 0.00 0.00 54.13 51.73 3k4m s LEU 111 Cb 0.36 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 3k4m s LEU 111 CO -0.11 -0.41 0.21 -0.04 0.23 0.00 0.00 176.35 176.23 3k4m s MET 112 N 1.24 3.65 0.18 1.70 -1.94 0.20 -4.86 119.30 119.46 3k4m s MET 112 Ca 0.02 -0.53 -0.33 0.00 -1.71 0.00 0.00 55.69 53.13 3k4m s MET 112 Cb -0.21 -3.73 -0.14 0.00 2.01 0.00 0.00 34.83 32.76 3k4m s MET 112 CO -0.02 -0.34 1.48 0.43 -0.01 0.00 0.00 175.02 176.56 3k4m n SER 113 N 5.08 2.76 -0.04 3.03 7.64 -1.26 -0.86 113.62 129.96 3k4m n SER 113 Ca -0.13 1.11 -0.12 0.00 1.01 0.00 0.00 58.87 60.74 3k4m n SER 113 Cb 0.51 -1.39 -0.06 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 3.37 1.22 -2.62 0.44 2.07 -1.71 -3.45 116.25 115.57 3k4m h VAL 114 Ca -0.45 -0.69 -0.34 0.00 0.82 0.00 0.00 66.70 66.04 3k4m h VAL 114 Cb 1.27 1.41 -0.37 0.00 -1.52 0.00 0.00 31.29 32.08 3k4m h VAL 114 CO 0.83 0.20 -0.64 -0.55 0.02 0.00 0.00 177.57 177.43 3k4m s SER 115 N -5.67 1.47 -0.33 0.57 0.15 -1.26 -4.61 113.70 104.02 3k4m s SER 115 Ca -0.14 -0.25 -0.10 0.00 0.70 0.00 0.00 55.95 56.16 3k4m s SER 115 Cb 0.06 0.29 -0.00 0.00 -1.71 0.00 0.00 66.02 64.66 3k4m s SER 115 CO 0.71 -0.33 0.17 -0.69 1.20 0.00 0.00 173.24 174.30 3k4m s VAL 116 N 2.30 4.66 1.06 4.45 1.01 -1.26 -4.74 120.40 127.88 3k4m s VAL 116 Ca 0.06 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 3k4m s VAL 116 Cb -0.16 -3.42 0.22 0.00 0.00 0.00 0.00 36.38 33.03 3k4m s VAL 116 CO -0.11 0.00 1.07 -2.16 0.00 0.00 0.00 175.10 173.90 3k4m s PRO 117 N 1.61 -0.04 0.34 2.72 0.04 -1.26 0.01 135.00 138.42 3k4m s PRO 117 Ca 0.04 0.60 -0.27 0.00 0.04 0.00 0.00 61.00 61.41 3k4m s PRO 117 Cb -0.17 -1.68 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 3k4m s PRO 117 CO 0.07 -3.07 1.15 0.08 0.04 0.00 0.00 177.00 175.27 3k4m s VAL 118 N -2.81 3.27 -0.10 -0.36 1.01 -1.26 -4.58 120.40 115.56 3k4m s VAL 118 Ca 0.66 1.17 -0.23 0.00 0.00 0.00 0.00 61.98 63.58 3k4m s VAL 118 Cb -0.21 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3k4m s VAL 118 CO 0.60 0.20 0.71 0.21 0.00 0.00 0.00 175.10 176.82 3k4m s ASN 119 N -0.97 6.94 -0.16 3.32 3.84 -1.26 -4.95 114.94 121.70 3k4m s ASN 119 Ca 0.51 1.13 0.17 0.00 0.21 0.00 0.00 52.86 54.88 3k4m s ASN 119 Cb -0.32 -2.41 0.38 0.00 -0.55 0.00 0.00 41.25 38.35 3k4m s ASN 119 CO 0.41 -0.19 1.25 0.35 -2.79 0.00 0.00 177.10 176.13 3k4m n THR 120 N 4.07 2.07 -2.20 -5.21 -2.24 -1.26 -4.83 114.28 104.69 3k4m n THR 120 Ca -0.00 -2.30 -0.39 0.00 -2.27 0.00 0.00 64.05 59.08 3k4m n THR 120 Cb 0.51 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.47 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 -2.93 4.21 -0.27 3.22 1.43 -1.26 -4.98 118.68 118.10 3k4m s LEU 121 Ca 0.36 2.47 -0.13 0.00 -1.03 0.00 0.00 54.13 55.81 3k4m s LEU 121 Cb 0.31 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 3k4m s LEU 121 CO 0.03 -0.74 0.27 -0.69 0.23 0.00 0.00 176.35 175.45 3k4m s VAL 122 N -1.34 5.26 -0.33 -1.59 1.01 -1.26 -5.04 120.40 117.10 3k4m s VAL 122 Ca 0.57 0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.84 3k4m s VAL 122 Cb -0.34 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.48 3k4m s VAL 122 CO 0.43 0.22 0.09 -0.69 0.00 0.00 0.00 175.10 175.15 3k4m s VAL 123 N 1.81 3.70 -0.12 2.92 1.01 -1.26 -4.95 120.40 123.52 3k4m s VAL 123 Ca 0.11 -1.15 0.17 0.00 0.00 0.00 0.00 61.98 61.11 3k4m s VAL 123 Cb -0.16 -3.09 0.26 0.00 0.00 0.00 0.00 36.38 33.39 3k4m s VAL 123 CO 0.10 -0.17 1.14 -0.90 0.00 0.00 0.00 175.10 175.27 3k4m n ASP 124 N 4.79 2.15 -0.90 3.32 5.75 -1.26 -4.46 116.55 125.95 3k4m n ASP 124 Ca -0.13 -2.98 0.06 0.00 -0.01 0.00 0.00 54.79 51.73 3k4m n ASP 124 Cb 0.45 -0.41 0.24 0.00 -1.03 0.00 0.00 41.12 40.37 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 -1.31 2.32 -1.45 2.12 -2.24 -1.26 -5.00 114.28 107.46 3k4m n THR 125 Ca 0.14 -2.09 -0.36 0.00 -2.27 0.00 0.00 64.05 59.48 3k4m n THR 125 Cb 0.64 -0.27 0.09 0.00 -2.10 0.00 0.00 70.33 68.69 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 -0.72 5.15 -4.74 3.22 4.77 -1.26 -4.97 117.00 118.44 3k4m n LEU 126 Ca 0.24 0.72 -0.41 0.00 -0.03 0.00 0.00 56.01 56.53 3k4m n LEU 126 Cb 0.91 -1.52 0.01 0.00 -2.33 0.00 0.00 43.42 40.49 3k4m n LEU 126 CO 0.15 -1.38 1.02 -0.24 -1.33 0.00 0.00 177.39 175.62 3k4m n SER 127 N -2.40 3.21 0.17 -1.43 2.88 -1.26 -4.90 113.62 109.88 3k4m n SER 127 Ca 0.15 1.16 0.19 0.00 -1.33 0.00 0.00 58.87 59.04 3k4m n SER 127 Cb 0.49 -1.57 0.77 0.00 -0.75 0.00 0.00 64.21 63.15 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 2.47 0.00 0.00 -1.46 0.11 -1.99 -1.32 132.00 129.82 3k4m h PRO 128 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3k4m h PRO 128 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3k4m h PRO 128 CO 0.62 0.00 -0.23 0.25 -0.21 0.00 0.00 178.00 178.43 3k4m n THR 129 N -3.47 0.51 -2.76 -1.15 -2.24 -1.26 -4.90 114.28 99.00 3k4m n THR 129 Ca 0.04 -0.28 -0.34 0.00 -2.27 0.00 0.00 64.05 61.20 3k4m n THR 129 Cb 0.54 -0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 3k4m n THR 129 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3k4m s SER 130 N -4.42 6.98 0.23 3.42 0.01 -0.50 -4.98 113.70 114.44 3k4m s SER 130 Ca 0.09 1.78 -0.30 0.00 1.31 0.00 0.00 55.95 58.83 3k4m s SER 130 Cb 0.13 -2.56 -0.10 0.00 0.21 0.00 0.00 66.02 63.70 3k4m s SER 130 CO 0.64 -0.33 1.42 0.86 0.41 0.00 0.00 173.24 176.24 3k4m s TRP 131 N -1.96 3.08 0.01 2.43 -0.00 -1.26 -4.95 118.94 116.29 3k4m s TRP 131 Ca 0.59 1.03 0.02 0.00 -0.00 0.00 0.00 56.10 57.74 3k4m s TRP 131 Cb -0.13 -3.78 -0.01 0.00 -0.00 0.00 0.00 33.47 29.55 3k4m s TRP 131 CO 0.18 -2.55 -0.07 -1.14 -0.00 0.00 0.00 176.95 173.37 3k4m s GLN 132 N -0.14 0.54 0.45 5.86 0.74 -1.26 -5.10 119.66 120.75 3k4m s GLN 132 Ca 0.60 -0.40 -0.22 0.00 0.05 0.00 0.00 55.36 55.39 3k4m s GLN 132 Cb -0.41 -0.47 -0.08 0.00 1.10 0.00 0.00 33.01 33.15 3k4m s GLN 132 CO 0.41 0.12 1.08 0.00 -0.55 0.00 0.00 175.29 176.34 3k4m s ALA 133 N -0.51 2.97 -0.18 1.58 0.00 -1.26 -4.97 121.76 119.39 3k4m s ALA 133 Ca -0.01 0.73 0.22 0.00 0.00 0.00 0.00 51.96 52.90 3k4m s ALA 133 Cb -0.05 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 3k4m s ALA 133 CO 0.00 -0.38 0.89 0.43 0.00 0.00 0.00 175.76 176.70 3k4m n SER 134 N -0.51 0.65 -4.16 0.00 7.64 -1.26 -5.00 113.62 110.99 3k4m n SER 134 Ca 0.07 0.26 -0.13 0.00 1.01 0.00 0.00 58.87 60.07 3k4m n SER 134 Cb 0.50 0.77 -0.10 0.00 -1.01 0.00 0.00 64.21 64.37 3k4m n SER 134 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3k4m s THR 135 N -3.35 0.10 -1.23 0.44 -4.23 -1.26 -5.07 115.64 101.04 3k4m s THR 135 Ca -0.03 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.38 3k4m s THR 135 Cb 0.10 -2.52 0.19 0.00 1.34 0.00 0.00 72.50 71.61 3k4m s THR 135 CO 0.82 0.00 1.67 0.49 -0.54 0.00 0.00 174.62 177.05 3k4m n PHE 136 N -0.33 3.63 -1.88 3.99 3.72 -1.26 -4.98 117.46 120.34 3k4m n PHE 136 Ca 0.02 -3.00 -0.30 0.00 -0.05 0.00 0.00 57.45 54.11 3k4m n PHE 136 Cb 0.66 -1.95 0.03 0.00 -0.94 0.00 0.00 39.48 37.28 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 0.38 3.47 -0.37 1.38 -0.71 -1.26 -4.87 117.98 116.00 3k4m s PHE 137 Ca 0.39 1.16 -0.28 0.00 -1.04 0.00 0.00 56.93 57.17 3k4m s PHE 137 Cb 0.04 -2.90 -0.03 0.00 -1.21 0.00 0.00 43.02 38.92 3k4m s PHE 137 CO 0.01 -0.94 1.99 0.08 -1.34 0.00 0.00 175.22 175.02 3k4m s VAL 138 N -3.27 3.28 0.06 -2.49 1.01 -1.26 -4.78 120.40 112.96 3k4m s VAL 138 Ca 0.57 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.81 3k4m s VAL 138 Cb -0.11 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3k4m s VAL 138 CO 0.53 -0.34 -0.05 0.00 0.00 0.00 0.00 175.10 175.24 3k4m s ARG 139 N 6.38 0.66 -1.42 2.72 1.70 -1.26 -4.91 118.95 122.82 3k4m s ARG 139 Ca 0.85 -1.18 -0.09 0.00 -0.47 0.00 0.00 55.73 54.84 3k4m s ARG 139 Cb -0.23 0.02 0.04 0.00 -0.57 0.00 0.00 34.95 34.22 3k4m s ARG 139 CO 0.31 -0.06 1.00 0.09 -1.08 0.00 0.00 175.30 175.56 3k4m n ASN 140 N 0.27 -4.47 -0.49 -2.89 3.02 -1.26 -1.79 115.26 107.65 3k4m n ASN 140 Ca -0.15 -0.70 -0.06 0.00 -0.03 0.00 0.00 54.58 53.64 3k4m n ASN 140 Cb 0.60 -4.37 -0.03 0.00 -0.61 0.00 0.00 39.78 35.38 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 -1.73 0.83 3.80 7.41 0.00 -1.26 -5.00 105.19 109.24 3k4m n GLY 141 Ca -0.05 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.56 4.70 -0.41 1.61 1.04 -0.74 -4.75 113.70 112.59 3k4m s SER 142 Ca 0.00 1.42 -0.03 0.00 0.48 0.00 0.00 55.95 57.82 3k4m s SER 142 Cb 0.00 -2.19 0.11 0.00 0.10 0.00 0.00 66.02 64.04 3k4m s SER 142 CO 0.00 -1.85 0.20 0.21 0.98 0.00 0.00 173.24 172.78 3k4m s ASN 143 N -3.84 5.28 0.17 7.02 3.84 0.10 -4.77 114.94 122.74 3k4m s ASN 143 Ca 0.60 -1.97 0.20 0.00 0.21 0.00 0.00 52.86 51.90 3k4m s ASN 143 Cb -0.15 -1.84 0.83 0.00 -0.55 0.00 0.00 41.25 39.55 3k4m s ASN 143 CO 0.55 -0.54 1.60 -0.81 -2.79 0.00 0.00 177.10 175.11 3k4m n PRO 144 N 4.62 0.12 0.12 0.43 -0.04 -1.26 -1.19 135.00 137.79 3k4m n PRO 144 Ca -0.03 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 3k4m n PRO 144 Cb 0.41 -1.74 0.47 0.00 -0.04 0.00 0.00 33.50 32.61 3k4m n PRO 144 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3k4m n GLU 145 N -1.96 0.19 -3.47 0.54 -0.58 -1.26 -4.88 120.64 109.21 3k4m n GLU 145 Ca 0.02 0.38 -0.38 0.00 -0.42 0.00 0.00 57.16 56.77 3k4m n GLU 145 Cb 0.19 -1.84 -0.08 0.00 -0.57 0.00 0.00 31.44 29.14 3k4m n GLU 145 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3k4m s GLN 146 N -3.27 4.14 -0.48 3.49 2.00 -0.34 -5.00 119.66 120.21 3k4m s GLN 146 Ca 0.05 0.06 -0.28 0.00 -2.00 0.00 0.00 55.36 53.19 3k4m s GLN 146 Cb 0.10 -3.54 0.01 0.00 0.80 0.00 0.00 33.01 30.39 3k4m s GLN 146 CO 0.41 -0.00 1.38 0.34 -0.50 0.00 0.00 175.29 176.91 3k4m s ASP 147 N 1.03 6.29 0.60 6.67 -1.08 -1.26 -4.66 116.67 124.26 3k4m s ASP 147 Ca 0.16 0.57 0.28 0.00 -0.52 0.00 0.00 52.55 53.04 3k4m s ASP 147 Cb -0.14 -2.54 1.45 0.00 -1.46 0.00 0.00 42.92 40.22 3k4m s ASP 147 CO 0.07 -1.52 1.85 1.55 0.52 0.00 0.00 175.17 177.64 3k4m h PRO 148 N 10.67 0.00 -0.30 4.34 0.13 -1.95 -1.62 132.00 143.27 3k4m h PRO 148 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3k4m h PRO 148 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3k4m h PRO 148 CO 1.13 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.18 3k4m n LEU 149 N -3.58 2.14 -2.67 1.56 4.77 -1.26 -4.10 117.00 113.86 3k4m n LEU 149 Ca 0.08 -0.97 -0.07 0.00 -0.03 0.00 0.00 56.01 55.02 3k4m n LEU 149 Cb 0.69 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.63 3k4m n LEU 149 CO 0.25 0.49 -0.01 0.54 -1.33 0.00 0.00 177.39 177.33 3k4m n ARG 150 N 0.64 1.88 -4.22 3.23 1.74 -0.61 -4.97 116.66 114.35 3k4m n ARG 150 Ca 0.16 -3.57 -0.23 0.00 -0.77 0.00 0.00 57.85 53.44 3k4m n ARG 150 Cb 0.38 -1.62 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 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 -3.57 4.94 -1.03 0.55 2.47 -1.24 -1.03 114.94 116.03 3k4m s ASN 151 Ca 0.31 -0.49 -0.10 0.00 0.42 0.00 0.00 52.86 53.00 3k4m s ASN 151 Cb 0.38 -1.07 0.26 0.00 -1.45 0.00 0.00 41.25 39.37 3k4m s ASN 151 CO -0.02 -0.02 1.01 -0.76 -3.72 0.00 0.00 177.10 173.60 3k4m s LEU 152 N -3.74 6.46 0.27 3.21 1.43 -1.26 -4.82 118.68 120.22 3k4m s LEU 152 Ca 0.32 -3.35 0.08 0.00 -1.03 0.00 0.00 54.13 50.15 3k4m s LEU 152 Cb -0.07 -2.21 0.34 0.00 0.03 0.00 0.00 46.19 44.28 3k4m s LEU 152 CO 0.22 -0.36 1.61 0.77 0.23 0.00 0.00 176.35 178.81 3k4m h SER 153 N 6.97 0.11 0.72 2.29 4.64 -1.75 -1.18 113.55 125.35 3k4m h SER 153 Ca 0.16 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3k4m h SER 153 Cb 0.92 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3k4m h SER 153 CO 0.94 0.68 0.00 0.61 -0.87 0.00 0.00 176.83 178.19 3k4m n GLY 154 N 0.20 -1.24 3.77 -0.77 0.00 0.29 -4.85 105.19 102.59 3k4m n GLY 154 Ca -0.02 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3k4m n GLY 154 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k4m s GLN 155 N -3.23 4.05 0.04 1.61 -1.52 -0.45 -3.46 119.66 116.71 3k4m s GLN 155 Ca 0.05 2.35 -0.15 0.00 -1.95 0.00 0.00 55.36 55.66 3k4m s GLN 155 Cb 0.10 -2.88 0.03 0.00 -0.22 0.00 0.00 33.01 30.03 3k4m s GLN 155 CO 0.37 -0.49 0.34 0.00 -0.25 0.00 0.00 175.29 175.27 3k4m s ALA 156 N -1.18 -0.81 0.19 6.09 0.00 -1.26 -1.89 121.76 122.89 3k4m s ALA 156 Ca 0.54 0.14 0.09 0.00 0.00 0.00 0.00 51.96 52.74 3k4m s ALA 156 Cb -0.42 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3k4m s ALA 156 CO 0.56 -0.42 -0.18 0.14 0.00 0.00 0.00 175.76 175.86 3k4m s VAL 157 N -2.42 1.93 -0.08 0.00 -7.23 -0.04 -4.85 120.40 107.72 3k4m s VAL 157 Ca -0.06 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.11 3k4m s VAL 157 Cb -0.01 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.98 3k4m s VAL 157 CO -0.02 -0.35 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.36 3k4m s THR 158 N -2.20 1.54 -0.57 5.32 2.01 -1.26 -0.63 115.64 119.85 3k4m s THR 158 Ca 0.19 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.51 3k4m s THR 158 Cb -0.05 -1.37 0.15 0.00 0.01 0.00 0.00 72.50 71.24 3k4m s THR 158 CO 0.08 0.45 0.35 -0.13 -0.69 0.00 0.00 174.62 174.67 3k4m s ARG 159 N 0.53 2.02 0.13 4.92 0.52 -1.26 -4.73 118.95 121.07 3k4m s ARG 159 Ca -0.16 -2.79 -0.06 0.00 -0.52 0.00 0.00 55.73 52.19 3k4m s ARG 159 Cb -0.17 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 3k4m s ARG 159 CO 0.06 -1.20 0.18 0.14 0.02 0.00 0.00 175.30 174.50 3k4m s VAL 160 N -0.64 0.11 -0.02 3.52 -7.23 -1.26 -4.21 120.40 110.67 3k4m s VAL 160 Ca 0.21 -1.51 -0.30 0.00 -1.81 0.00 0.00 61.98 58.57 3k4m s VAL 160 Cb -0.16 -1.75 -0.07 0.00 0.56 0.00 0.00 36.38 34.97 3k4m s VAL 160 CO -0.07 -0.49 1.76 -0.69 -0.31 0.00 0.00 175.10 175.29 3k4m s VAL 161 N -3.96 3.38 0.00 1.32 1.01 -0.29 -1.08 120.40 120.79 3k4m s VAL 161 Ca 0.15 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3k4m s VAL 161 Cb 0.05 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3k4m s VAL 161 CO -0.03 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.64 3k4m n GLY 162 N 4.26 1.79 7.00 4.51 0.00 -1.06 -4.05 105.19 117.64 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 -0.97 0.97 0.18 -0.02 0.00 -0.24 -2.62 105.19 102.49 3k4m n GLY 163 Ca 0.00 -0.69 0.14 0.00 0.00 0.00 0.00 46.02 45.47 3k4m n GLY 163 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3k4m h MET 164 N 0.00 0.00 0.00 1.61 2.86 -1.88 -2.92 114.93 114.60 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 -2.54 0.00 -0.14 1.22 3.41 -1.08 -1.21 113.62 113.28 3k4m n SER 165 Ca 0.02 0.18 0.14 0.00 -0.26 0.00 0.00 58.87 58.95 3k4m n SER 165 Cb 0.26 -0.28 0.54 0.00 -0.26 0.00 0.00 64.21 64.47 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 -1.28 0.00 -0.80 6.66 -2.24 -1.10 -4.24 114.28 111.28 3k4m n THR 166 Ca 0.03 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3k4m n THR 166 Cb 0.05 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.91 0.00 -0.73 4.78 1.44 -0.44 -1.09 115.22 118.26 3k4m n HIS 167 Ca 0.13 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.56 3k4m n HIS 167 Cb 0.30 0.00 0.24 0.00 0.12 0.00 0.00 29.99 30.65 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 1.30 -1.42 -1.40 1.48 -0.35 -4.92 118.94 113.63 3k4m s TRP 168 Ca 0.00 0.99 0.27 0.00 -1.06 0.00 0.00 56.10 56.30 3k4m s TRP 168 Cb 0.00 -3.14 0.81 0.00 -1.16 0.00 0.00 33.47 29.97 3k4m s TRP 168 CO 0.00 -3.78 1.60 2.41 -4.06 0.00 0.00 176.95 173.13 3k4m n THR 169 N -4.82 0.00 -1.06 0.66 -1.04 -1.26 -4.94 114.28 101.83 3k4m n THR 169 Ca 0.05 -0.06 -0.02 0.00 -2.04 0.00 0.00 64.05 61.98 3k4m n THR 169 Cb 0.56 0.17 -0.01 0.00 -1.82 0.00 0.00 70.33 69.24 3k4m n THR 169 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3k4m s ALA 171 N -1.72 3.61 -0.47 0.00 0.00 -1.26 -0.06 121.76 121.86 3k4m s ALA 171 Ca 0.00 0.60 0.06 0.00 0.00 0.00 0.00 51.96 52.62 3k4m s ALA 171 Cb 0.00 -3.68 0.22 0.00 0.00 0.00 0.00 23.12 19.66 3k4m s ALA 171 CO 0.00 -1.32 0.51 0.25 0.00 0.00 0.00 175.76 175.20 3k4m n THR 172 N 5.51 -0.07 -2.84 0.00 -2.24 0.21 -4.80 114.28 110.05 3k4m n THR 172 Ca 0.15 -4.15 -0.33 0.00 -2.27 0.00 0.00 64.05 57.45 3k4m n THR 172 Cb 0.44 -1.93 -0.07 0.00 -2.10 0.00 0.00 70.33 66.68 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 -1.11 4.22 0.33 -0.78 0.04 -1.26 -4.73 135.00 131.70 3k4m s PRO 173 Ca 0.34 1.09 -0.27 0.00 0.04 0.00 0.00 61.00 62.21 3k4m s PRO 173 Cb 0.11 -2.20 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 3k4m s PRO 173 CO -0.12 -0.02 1.00 1.03 0.04 0.00 0.00 177.00 178.93 3k4m s ARG 174 N -3.16 4.52 0.16 4.56 0.52 -1.26 -4.76 118.95 119.52 3k4m s ARG 174 Ca 0.61 1.47 -0.30 0.00 -0.52 0.00 0.00 55.73 56.99 3k4m s ARG 174 Cb -0.09 -2.85 -0.08 0.00 0.52 0.00 0.00 34.95 32.45 3k4m s ARG 174 CO 0.13 0.19 1.22 -0.06 0.02 0.00 0.00 175.30 176.81 3k4m s PHE 175 N -1.50 3.40 0.70 -0.53 0.40 -1.26 -5.02 117.98 114.17 3k4m s PHE 175 Ca 0.50 1.35 -0.10 0.00 -0.60 0.00 0.00 56.93 58.08 3k4m s PHE 175 Cb -0.22 -3.47 0.03 0.00 0.51 0.00 0.00 43.02 39.87 3k4m s PHE 175 CO 0.28 -1.37 1.07 0.16 0.70 0.00 0.00 175.22 176.07 3k4m s ASP 176 N 0.36 5.30 0.30 1.36 -4.77 -1.26 -4.85 116.67 113.11 3k4m s ASP 176 Ca 0.55 0.97 0.04 0.00 -3.30 0.00 0.00 52.55 50.81 3k4m s ASP 176 Cb -0.33 -1.75 0.78 0.00 -1.09 0.00 0.00 42.92 40.53 3k4m s ASP 176 CO 0.35 -1.39 1.63 0.03 0.70 0.00 0.00 175.17 176.49 3k4m h ARG 177 N -0.63 0.16 0.00 2.11 3.08 -1.97 -0.32 114.38 116.80 3k4m h ARG 177 Ca -0.45 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3k4m h ARG 177 Cb 1.27 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3k4m h ARG 177 CO 0.63 0.11 0.00 1.05 -1.07 0.00 0.00 179.97 180.69 3k4m h GLU 178 N 0.17 0.00 -0.01 0.04 4.11 -1.98 -1.22 114.58 115.69 3k4m h GLU 178 Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.02 3k4m h GLU 178 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3k4m h GLU 178 CO -0.70 0.00 -0.48 1.04 0.07 0.00 0.00 179.01 178.94 3k4m n GLN 179 N -2.73 1.29 -4.30 1.06 6.02 -0.16 -4.83 117.38 113.74 3k4m n GLN 179 Ca 0.00 -0.86 -0.35 0.00 -0.01 0.00 0.00 57.00 55.78 3k4m n GLN 179 Cb 0.21 -1.42 -0.09 0.00 1.02 0.00 0.00 30.24 29.96 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 -2.35 3.07 0.45 -1.09 3.52 -0.46 -4.60 118.95 117.49 3k4m s ARG 180 Ca 0.16 -0.37 -0.24 0.00 -0.13 0.00 0.00 55.73 55.16 3k4m s ARG 180 Cb 0.16 -2.86 -0.07 0.00 -1.56 0.00 0.00 34.95 30.62 3k4m s ARG 180 CO 0.55 0.70 1.22 -1.25 -0.81 0.00 0.00 175.30 175.71 3k4m s PRO 181 N -0.87 3.74 0.17 5.12 0.04 -1.26 -4.93 135.00 137.00 3k4m s PRO 181 Ca 0.13 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 3k4m s PRO 181 Cb -0.11 -2.49 -0.08 0.00 0.04 0.00 0.00 34.50 31.86 3k4m s PRO 181 CO 0.02 -0.61 1.17 -0.51 0.04 0.00 0.00 177.00 177.12 3k4m s LEU 182 N -2.92 4.45 -0.02 -3.56 1.43 -1.26 -4.89 118.68 111.91 3k4m s LEU 182 Ca 0.63 2.16 0.12 0.00 -1.03 0.00 0.00 54.13 56.01 3k4m s LEU 182 Cb -0.33 -3.60 -0.18 0.00 0.03 0.00 0.00 46.19 42.11 3k4m s LEU 182 CO 0.40 -0.35 0.26 0.18 0.23 0.00 0.00 176.35 177.08 3k4m n LEU 183 N 2.67 0.01 -3.88 1.79 4.77 -1.26 -4.90 117.00 116.20 3k4m n LEU 183 Ca 0.05 -0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.75 3k4m n LEU 183 Cb 0.45 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.37 3k4m n LEU 183 CO 0.55 0.00 -0.43 -0.69 -1.33 0.00 0.00 177.39 175.49 3k4m s VAL 184 N -2.81 0.94 0.30 4.08 1.01 -1.26 -5.01 120.40 117.65 3k4m s VAL 184 Ca -0.04 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 61.40 3k4m s VAL 184 Cb 0.08 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.36 3k4m s VAL 184 CO 0.49 0.33 0.96 -1.59 0.00 0.00 0.00 175.10 175.29 3k4m s LYS 185 N 1.74 4.63 -1.49 2.72 -2.85 -1.26 -4.15 119.74 119.08 3k4m s LYS 185 Ca 0.05 1.42 -0.07 0.00 -1.00 0.00 0.00 55.97 56.37 3k4m s LYS 185 Cb -0.13 -2.94 0.01 0.00 -2.06 0.00 0.00 37.83 32.72 3k4m s LYS 185 CO -0.08 0.31 0.82 -0.25 0.10 0.00 0.00 175.35 176.25 3k4m n ASP 186 N 0.81 -6.10 -2.73 0.03 8.00 -1.26 -4.91 116.55 110.39 3k4m n ASP 186 Ca 0.01 -0.40 -0.07 0.00 0.71 0.00 0.00 54.79 55.04 3k4m n ASP 186 Cb 0.49 -4.88 0.06 0.00 -0.02 0.00 0.00 41.12 36.77 3k4m n ASP 186 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3k4m n ASP 187 N -2.70 -2.51 -0.22 -2.24 -0.08 -1.26 -5.03 116.55 102.51 3k4m n ASP 187 Ca -0.06 -2.95 0.15 0.00 -1.51 0.00 0.00 54.79 50.41 3k4m n ASP 187 Cb 0.59 1.57 0.46 0.00 2.34 0.00 0.00 41.12 46.08 3k4m n ASP 187 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3k4m h ALA 188 N 3.77 2.02 0.09 -1.67 0.00 -1.91 0.20 119.26 121.76 3k4m h ALA 188 Ca -0.17 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3k4m h ALA 188 Cb 1.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3k4m h ALA 188 CO 0.20 -0.26 -0.06 -0.44 0.00 0.00 0.00 179.25 178.70 3k4m h ASP 189 N 0.52 -0.14 -0.33 0.00 3.32 -1.97 -0.53 116.42 117.29 3k4m h ASP 189 Ca 0.42 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.38 3k4m h ASP 189 Cb 0.86 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 3k4m h ASP 189 CO -0.16 -0.09 -0.14 0.00 -1.72 0.00 0.00 179.24 177.12 3k4m h ALA 190 N 0.77 0.96 0.10 3.45 0.00 -1.11 -1.21 119.26 122.22 3k4m h ALA 190 Ca -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3k4m h ALA 190 Cb 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3k4m h ALA 190 CO 0.01 0.61 -0.05 0.22 0.00 0.00 0.00 179.25 180.04 3k4m h ASP 191 N 0.69 -0.11 -1.00 0.00 3.58 -0.84 0.20 116.42 118.94 3k4m h ASP 191 Ca 0.11 -0.10 0.18 0.00 0.42 0.00 0.00 57.03 57.65 3k4m h ASP 191 Cb 0.63 0.03 -0.10 0.00 1.72 0.00 0.00 39.33 41.61 3k4m h ASP 191 CO 0.04 0.03 0.62 0.44 -2.88 0.00 0.00 179.24 177.49 3k4m h ASP 192 N -0.25 0.77 0.59 2.28 3.32 -0.93 -1.24 116.42 120.97 3k4m h ASP 192 Ca -0.01 0.08 -0.24 0.00 0.02 0.00 0.00 57.03 56.88 3k4m h ASP 192 Cb 0.20 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3k4m h ASP 192 CO 0.02 0.30 -1.09 0.00 -1.72 0.00 0.00 179.24 176.75 3k4m h ALA 193 N 1.63 0.25 -0.50 3.45 0.00 -0.69 -1.37 119.26 122.03 3k4m h ALA 193 Ca 0.56 -0.82 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 3k4m h ALA 193 Cb 0.87 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3k4m h ALA 193 CO -0.34 0.95 -0.20 1.49 0.00 0.00 0.00 179.25 181.15 3k4m h GLU 194 N 0.11 1.01 -0.24 0.00 4.57 -0.60 -1.31 114.58 118.12 3k4m h GLU 194 Ca -0.10 -0.42 -0.12 0.00 -1.18 0.00 0.00 59.36 57.54 3k4m h GLU 194 Cb 1.79 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.33 3k4m h GLU 194 CO 0.18 1.11 -0.34 -1.49 -1.18 0.00 0.00 179.01 177.28 3k4m h TRP 195 N 0.88 0.60 -0.23 0.92 4.06 -1.19 -2.67 115.95 118.31 3k4m h TRP 195 Ca 0.12 -0.15 -0.03 0.00 2.06 0.00 0.00 58.89 60.89 3k4m h TRP 195 Cb 0.78 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.79 3k4m h TRP 195 CO 0.05 0.79 0.04 0.22 -3.56 0.00 0.00 178.44 175.99 3k4m h ASP 196 N 0.44 0.36 -0.58 -3.49 3.58 -1.08 0.94 116.42 116.60 3k4m h ASP 196 Ca 0.05 -0.25 0.08 0.00 0.42 0.00 0.00 57.03 57.33 3k4m h ASP 196 Cb 0.80 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.69 3k4m h ASP 196 CO 0.07 0.53 0.23 -0.09 -2.88 0.00 0.00 179.24 177.10 3k4m h ARG 197 N 0.19 0.42 -0.05 0.28 2.43 -1.18 -1.21 114.38 115.25 3k4m h ARG 197 Ca 0.07 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3k4m h ARG 197 Cb 0.32 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3k4m h ARG 197 CO 0.00 0.28 -0.15 -0.07 -1.51 0.00 0.00 179.97 178.52 3k4m h LEU 198 N 0.43 0.23 -1.43 3.80 3.38 -1.22 -2.47 115.31 118.03 3k4m h LEU 198 Ca 0.28 -0.61 0.02 0.00 0.09 0.00 0.00 57.88 57.67 3k4m h LEU 198 Cb 0.31 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3k4m h LEU 198 CO -0.27 0.79 0.40 1.88 0.09 0.00 0.00 178.44 181.34 3k4m h TYR 199 N -0.33 0.72 -0.45 1.13 0.05 -0.67 -1.60 116.97 115.82 3k4m h TYR 199 Ca -0.00 0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.70 3k4m h TYR 199 Cb 0.77 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 3k4m h TYR 199 CO 0.13 0.43 -0.08 1.15 -1.05 0.00 0.00 178.16 178.74 3k4m h THR 200 N 0.75 1.27 -0.26 -2.88 2.02 -1.03 0.27 112.91 113.05 3k4m h THR 200 Ca 0.24 -1.18 -0.10 0.00 0.77 0.00 0.00 66.41 66.14 3k4m h THR 200 Cb 0.02 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3k4m h THR 200 CO -0.06 0.40 -0.24 0.50 0.37 0.00 0.00 175.52 176.49 3k4m h LYS 201 N 0.68 0.50 -0.31 6.66 3.64 -1.18 -2.07 116.57 124.48 3k4m h LYS 201 Ca 0.12 -0.19 -0.17 0.00 -1.27 0.00 0.00 60.65 59.14 3k4m h LYS 201 Cb 0.61 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3k4m h LYS 201 CO 0.04 0.70 -0.48 0.00 -2.27 0.00 0.00 179.45 177.44 3k4m h ALA 202 N 1.30 0.56 -0.96 5.00 0.00 -0.69 -1.50 119.26 122.96 3k4m h ALA 202 Ca 0.07 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.51 3k4m h ALA 202 Cb 0.66 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 3k4m h ALA 202 CO 0.05 0.68 0.64 0.93 0.00 0.00 0.00 179.25 181.54 3k4m h GLU 203 N 0.67 1.23 -0.01 0.00 5.08 -0.22 0.31 114.58 121.64 3k4m h GLU 203 Ca 0.03 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 3k4m h GLU 203 Cb 1.07 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3k4m h GLU 203 CO 0.11 0.81 -0.81 0.66 -1.00 0.00 0.00 179.01 178.78 3k4m h SER 204 N 1.26 0.22 -0.68 1.42 4.64 -1.12 0.24 113.55 119.53 3k4m h SER 204 Ca 0.37 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.47 3k4m h SER 204 Cb -0.08 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 3k4m h SER 204 CO -0.10 0.94 0.24 1.88 -0.87 0.00 0.00 176.83 178.92 3k4m h TYR 205 N 0.11 1.08 0.00 4.77 0.05 -0.18 -2.74 116.97 120.06 3k4m h TYR 205 Ca -0.03 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.66 3k4m h TYR 205 Cb 1.41 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 38.83 3k4m h TYR 205 CO 0.02 0.85 -0.27 1.19 -1.05 0.00 0.00 178.16 178.90 3k4m n PHE 206 N -4.27 0.15 -3.81 4.88 3.72 0.99 -4.10 117.46 115.03 3k4m n PHE 206 Ca 0.06 0.04 -0.27 0.00 -0.05 0.00 0.00 57.45 57.23 3k4m n PHE 206 Cb 0.21 -0.46 0.04 0.00 -0.94 0.00 0.00 39.48 38.32 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 -1.64 -5.93 -1.75 -1.08 1.13 0.69 -4.16 117.38 104.64 3k4m n GLN 207 Ca 0.06 0.65 -0.42 0.00 -1.94 0.00 0.00 57.00 55.35 3k4m n GLN 207 Cb 0.36 -5.52 -0.01 0.00 0.11 0.00 0.00 30.24 25.17 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 -4.66 1.43 -4.04 5.09 -1.04 -0.38 -2.74 114.28 107.93 3k4m n THR 208 Ca -0.03 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.05 61.49 3k4m n THR 208 Cb 0.56 -1.92 -0.04 0.00 -1.82 0.00 0.00 70.33 67.12 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 0.21 1.21 -0.07 3.41 0.00 -0.54 -4.90 107.32 106.64 3k4m s GLY 209 Ca 0.60 -1.33 0.10 0.00 0.00 0.00 0.00 44.72 44.09 3k4m s GLY 209 CO 0.55 -0.87 1.08 -1.30 0.00 0.00 0.00 173.10 172.57 3k4m n THR 210 N -0.53 1.03 -0.44 0.90 -2.24 -1.26 -1.78 114.28 109.95 3k4m n THR 210 Ca -0.01 -1.25 0.00 0.00 -2.27 0.00 0.00 64.05 60.53 3k4m n THR 210 Cb 0.61 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 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 -0.77 1.23 0.05 3.42 5.68 -1.26 -4.69 116.55 120.21 3k4m n ASP 211 Ca 0.09 -1.66 0.12 0.00 -0.50 0.00 0.00 54.79 52.83 3k4m n ASP 211 Cb 0.67 -0.02 0.47 0.00 -1.14 0.00 0.00 41.12 41.11 3k4m n ASP 211 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k4m n GLN 212 N -0.33 0.09 -0.27 0.11 3.00 -1.26 -2.67 117.38 116.05 3k4m n GLN 212 Ca 0.01 0.18 0.08 0.00 -0.01 0.00 0.00 57.00 57.26 3k4m n GLN 212 Cb 0.36 -1.63 0.16 0.00 0.00 0.00 0.00 30.24 29.13 3k4m n GLN 212 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3k4m n PHE 213 N -1.80 0.00 -0.01 1.08 3.01 -1.26 -4.80 117.46 113.68 3k4m n PHE 213 Ca 0.05 -1.12 0.14 0.00 1.01 0.00 0.00 57.45 57.53 3k4m n PHE 213 Cb 0.30 -0.18 0.57 0.00 -0.01 0.00 0.00 39.48 40.16 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 0.33 0.23 -0.58 -1.08 2.10 -1.82 -0.56 116.57 115.19 3k4m h LYS 214 Ca -0.00 -0.01 -0.16 0.00 -2.00 0.00 0.00 60.65 58.47 3k4m h LYS 214 Cb 1.03 -0.05 -0.10 0.00 -0.90 0.00 0.00 32.23 32.21 3k4m h LYS 214 CO 0.00 0.15 0.16 0.39 -2.00 0.00 0.00 179.45 178.15 3k4m n GLU 215 N -4.45 3.28 -2.69 0.07 1.02 -1.26 -4.84 120.64 111.76 3k4m n GLU 215 Ca 0.08 -3.06 -0.42 0.00 -0.02 0.00 0.00 57.16 53.74 3k4m n GLU 215 Cb 0.39 -2.08 -0.03 0.00 -0.02 0.00 0.00 31.44 29.71 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 -1.47 7.25 0.14 1.62 0.15 -0.22 -4.88 113.70 116.29 3k4m s SER 216 Ca 0.51 1.53 -0.19 0.00 0.70 0.00 0.00 55.95 58.50 3k4m s SER 216 Cb 0.41 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 3k4m s SER 216 CO 0.10 -0.43 1.71 0.40 1.20 0.00 0.00 173.24 176.22 3k4m h ILE 217 N 5.08 0.78 -0.33 6.45 2.04 -1.89 -0.61 117.51 129.03 3k4m h ILE 217 Ca -0.31 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 3k4m h ILE 217 Cb 1.15 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 3k4m h ILE 217 CO 0.85 0.01 -0.06 0.03 0.00 0.00 0.00 178.15 178.98 3k4m h ARG 218 N 0.04 0.54 0.16 2.37 3.08 -1.92 0.24 114.38 118.90 3k4m h ARG 218 Ca 0.12 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3k4m h ARG 218 Cb 0.17 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3k4m h ARG 218 CO -0.23 0.61 -0.08 1.25 -1.07 0.00 0.00 179.97 180.45 3k4m h HIS 219 N 0.51 -0.20 -0.46 3.04 2.76 -1.69 -2.51 115.15 116.60 3k4m h HIS 219 Ca 0.10 -0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.14 3k4m h HIS 219 Cb 0.42 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 3k4m h HIS 219 CO 0.02 0.04 -0.22 -0.91 -1.30 0.00 0.00 177.93 175.56 3k4m h ASN 220 N -0.43 0.95 -0.43 3.26 2.35 -0.75 0.19 115.58 120.72 3k4m h ASN 220 Ca -0.02 -0.36 0.09 0.00 -0.55 0.00 0.00 56.30 55.46 3k4m h ASN 220 Cb 0.34 -0.26 -0.09 0.00 0.05 0.00 0.00 38.32 38.35 3k4m h ASN 220 CO 0.04 1.13 -0.25 0.25 -1.65 0.00 0.00 177.43 176.95 3k4m h LEU 221 N 0.80 -0.84 0.03 1.61 5.85 -0.53 0.27 115.31 122.50 3k4m h LEU 221 Ca 0.11 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 3k4m h LEU 221 Cb 0.78 0.43 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3k4m h LEU 221 CO 0.06 -0.27 -0.02 0.58 -0.34 0.00 0.00 178.44 178.46 3k4m h VAL 222 N -0.17 1.36 -0.57 1.05 2.07 -1.20 -2.12 116.25 116.68 3k4m h VAL 222 Ca 0.20 -1.31 0.06 0.00 0.82 0.00 0.00 66.70 66.47 3k4m h VAL 222 Cb 0.48 2.22 -0.09 0.00 -1.52 0.00 0.00 31.29 32.38 3k4m h VAL 222 CO -0.53 0.33 -0.55 0.25 0.02 0.00 0.00 177.57 177.09 3k4m h LEU 223 N -0.63 -1.90 -0.61 2.57 5.85 -0.40 -1.71 115.31 118.49 3k4m h LEU 223 Ca -0.00 0.27 0.08 0.00 0.84 0.00 0.00 57.88 59.06 3k4m h LEU 223 Cb 0.57 0.80 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 3k4m h LEU 223 CO 0.01 -0.36 0.28 0.78 -0.34 0.00 0.00 178.44 178.81 3k4m h ASN 224 N -0.28 0.36 0.55 1.25 2.35 -0.55 0.43 115.58 119.68 3k4m h ASN 224 Ca 0.11 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 3k4m h ASN 224 Cb 0.55 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.92 3k4m h ASN 224 CO -0.69 0.22 -0.26 0.50 -1.65 0.00 0.00 177.43 175.55 3k4m h LYS 225 N 0.51 -0.71 -0.43 0.81 1.63 -0.86 -0.80 116.57 116.72 3k4m h LYS 225 Ca 0.29 0.05 0.07 0.00 -0.85 0.00 0.00 60.65 60.21 3k4m h LYS 225 Cb 0.28 0.16 -0.06 0.00 -0.60 0.00 0.00 32.23 32.01 3k4m h LYS 225 CO -0.24 -0.46 0.08 -0.07 -3.45 0.00 0.00 179.45 175.31 3k4m h LEU 226 N -0.77 0.00 -0.04 5.20 3.38 -1.23 0.15 115.31 122.00 3k4m h LEU 226 Ca -0.08 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3k4m h LEU 226 Cb 0.58 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 3k4m h LEU 226 CO 0.12 0.03 -0.42 0.74 0.09 0.00 0.00 178.44 179.01 3k4m h THR 227 N 0.21 0.15 -0.40 0.22 2.02 0.06 -1.19 112.91 113.97 3k4m h THR 227 Ca 0.21 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.47 3k4m h THR 227 Cb 0.26 0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 66.74 3k4m h THR 227 CO -0.28 0.00 -0.09 -0.08 0.37 0.00 0.00 175.52 175.44 3k4m h GLU 228 N -0.55 0.01 -0.40 6.66 4.81 -0.97 -1.69 114.58 122.44 3k4m h GLU 228 Ca 0.05 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 3k4m h GLU 228 Cb 0.64 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3k4m h GLU 228 CO -0.34 0.01 0.27 0.93 -0.73 0.00 0.00 179.01 179.15 3k4m h GLU 229 N 0.01 0.35 -0.17 1.92 4.39 -0.14 -2.30 114.58 118.64 3k4m h GLU 229 Ca 0.19 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.80 3k4m h GLU 229 Cb 0.29 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 3k4m h GLU 229 CO -0.41 0.23 -0.22 0.66 -1.16 0.00 0.00 179.01 178.12 3k4m n TYR 230 N -4.48 0.54 -1.70 4.33 4.02 -0.50 -5.02 117.16 114.35 3k4m n TYR 230 Ca 0.05 -1.44 -0.44 0.00 -0.01 0.00 0.00 57.90 56.06 3k4m n TYR 230 Cb 0.21 -0.35 -0.03 0.00 -0.02 0.00 0.00 39.34 39.15 3k4m n TYR 230 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3k4m n LYS 231 N -1.11 2.35 -0.92 -0.72 4.81 -0.65 -0.88 118.16 121.03 3k4m n LYS 231 Ca 0.25 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.53 3k4m n LYS 231 Cb 0.85 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 33.31 3k4m n LYS 231 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k4m n GLY 232 N 2.76 0.52 0.00 3.14 0.00 -1.26 -4.80 105.19 105.55 3k4m n GLY 232 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.88 0.66 -3.72 1.61 6.02 -0.06 -5.11 117.38 114.90 3k4m n GLN 233 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 3k4m n GLN 233 Cb 0.08 -0.82 -0.09 0.00 1.02 0.00 0.00 30.24 30.43 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 -1.65 0.68 0.02 -1.09 0.52 -0.66 -5.10 118.95 111.67 3k4m s ARG 234 Ca 0.00 0.07 -0.05 0.00 -0.52 0.00 0.00 55.73 55.22 3k4m s ARG 234 Cb 0.00 0.31 -0.05 0.00 0.52 0.00 0.00 34.95 35.73 3k4m s ARG 234 CO 0.00 -0.17 0.26 -0.51 0.02 0.00 0.00 175.30 174.90 3k4m s ASP 235 N -0.91 6.47 0.09 0.23 1.01 -1.26 -4.61 116.67 117.68 3k4m s ASP 235 Ca -0.10 0.51 0.08 0.00 0.71 0.00 0.00 52.55 53.76 3k4m s ASP 235 Cb -0.04 -2.07 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 3k4m s ASP 235 CO 0.04 0.23 -0.22 -0.36 0.21 0.00 0.00 175.17 175.07 3k4m s PHE 236 N -1.34 1.90 0.36 4.23 0.40 -1.26 -4.22 117.98 118.04 3k4m s PHE 236 Ca 0.29 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 56.13 3k4m s PHE 236 Cb -0.13 -1.07 0.03 0.00 0.51 0.00 0.00 43.02 42.36 3k4m s PHE 236 CO 0.18 0.19 0.62 1.14 0.70 0.00 0.00 175.22 178.05 3k4m s GLN 237 N -1.68 2.04 0.27 0.44 -2.07 -0.00 -4.99 119.66 113.67 3k4m s GLN 237 Ca 0.08 -1.58 -0.29 0.00 -1.82 0.00 0.00 55.36 51.75 3k4m s GLN 237 Cb -0.10 0.53 -0.09 0.00 -1.09 0.00 0.00 33.01 32.26 3k4m s GLN 237 CO 0.04 -0.90 1.23 -1.14 -1.32 0.00 0.00 175.29 173.20 3k4m s GLN 238 N -2.78 4.46 0.05 9.60 0.74 -1.26 -1.10 119.66 129.37 3k4m s GLN 238 Ca 0.23 2.02 -0.36 0.00 0.05 0.00 0.00 55.36 57.30 3k4m s GLN 238 Cb -0.03 -3.15 -0.15 0.00 1.10 0.00 0.00 33.01 30.78 3k4m s GLN 238 CO 0.16 -0.07 1.57 -0.89 -0.55 0.00 0.00 175.29 175.50 3k4m n ILE 239 N 1.54 0.13 -2.30 -2.34 5.41 0.20 -4.75 119.36 117.25 3k4m n ILE 239 Ca 0.02 -0.02 -0.41 0.00 1.00 0.00 0.00 62.75 63.33 3k4m n ILE 239 Cb 0.43 -1.31 -0.03 0.00 -0.71 0.00 0.00 39.64 38.02 3k4m n ILE 239 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3k4m s PRO 240 N 1.57 4.46 -0.01 0.38 0.02 -1.26 -4.78 135.00 135.37 3k4m s PRO 240 Ca 0.85 1.98 0.01 0.00 0.02 0.00 0.00 61.00 63.86 3k4m s PRO 240 Cb -0.82 -3.20 0.01 0.00 0.02 0.00 0.00 34.50 30.51 3k4m s PRO 240 CO 0.46 -0.12 -0.03 -0.51 -0.33 0.00 0.00 177.00 176.47 3k4m s LEU 241 N -0.54 1.71 -0.91 -5.54 1.43 -0.74 -0.61 118.68 113.48 3k4m s LEU 241 Ca 0.53 -0.06 -0.22 0.00 -1.03 0.00 0.00 54.13 53.35 3k4m s LEU 241 Cb -0.35 -0.21 0.08 0.00 0.03 0.00 0.00 46.19 45.73 3k4m s LEU 241 CO 0.40 -0.01 1.27 0.00 0.23 0.00 0.00 176.35 178.24 3k4m s ALA 242 N 0.31 2.97 -0.29 4.21 0.00 0.92 -1.47 121.76 128.41 3k4m s ALA 242 Ca -0.03 -2.26 -0.25 0.00 0.00 0.00 0.00 51.96 49.43 3k4m s ALA 242 Cb -0.06 -4.27 0.14 0.00 0.00 0.00 0.00 23.12 18.93 3k4m s ALA 242 CO -0.01 -3.28 1.12 0.00 0.00 0.00 0.00 175.76 173.60 3k4m s ALA 243 N 4.25 -2.04 -0.13 0.00 0.00 -1.11 0.23 121.76 122.96 3k4m s ALA 243 Ca 0.38 1.85 0.02 0.00 0.00 0.00 0.00 51.96 54.20 3k4m s ALA 243 Cb -0.05 -1.53 -0.00 0.00 0.00 0.00 0.00 23.12 21.54 3k4m s ALA 243 CO -0.04 -0.21 -0.18 0.99 0.00 0.00 0.00 175.76 176.31 3k4m s THR 244 N 0.23 2.50 -0.03 0.00 2.01 0.36 -4.61 115.64 116.09 3k4m s THR 244 Ca 0.04 -0.85 -0.28 0.00 0.31 0.00 0.00 61.69 60.91 3k4m s THR 244 Cb -0.05 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 3k4m s THR 244 CO -0.09 0.54 0.89 -0.60 -0.69 0.00 0.00 174.62 174.67 3k4m s ARG 245 N 0.52 4.50 -0.04 4.92 3.52 -1.26 0.37 118.95 131.48 3k4m s ARG 245 Ca -0.12 1.24 0.16 0.00 -0.13 0.00 0.00 55.73 56.88 3k4m s ARG 245 Cb -0.16 -3.47 -0.24 0.00 -1.56 0.00 0.00 34.95 29.52 3k4m s ARG 245 CO 0.05 -0.04 0.32 0.54 -0.81 0.00 0.00 175.30 175.35 3k4m n ARG 246 N 3.98 0.61 -3.64 5.12 5.12 -0.34 -4.91 116.66 122.60 3k4m n ARG 246 Ca 0.04 -0.13 -0.01 0.00 -1.93 0.00 0.00 57.85 55.81 3k4m n ARG 246 Cb 0.51 -1.38 -0.01 0.00 -1.16 0.00 0.00 32.46 30.41 3k4m n ARG 246 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3k4m s SER 247 N -3.98 -0.12 0.08 0.55 1.04 -1.10 -4.98 113.70 105.19 3k4m s SER 247 Ca -0.06 -0.16 0.10 0.00 0.48 0.00 0.00 55.95 56.31 3k4m s SER 247 Cb 0.10 0.25 0.47 0.00 0.10 0.00 0.00 66.02 66.94 3k4m s SER 247 CO 0.67 -0.44 1.32 -2.65 0.98 0.00 0.00 173.24 173.11 3k4m n PRO 248 N -0.39 0.04 0.00 4.02 -0.02 -1.26 -2.44 135.00 134.95 3k4m n PRO 248 Ca -0.06 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3k4m n PRO 248 Cb 0.61 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 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 -1.70 0.53 -3.72 3.45 -2.24 -1.26 -4.80 114.28 104.54 3k4m n THR 249 Ca 0.01 -0.72 -0.14 0.00 -2.27 0.00 0.00 64.05 60.93 3k4m n THR 249 Cb 0.08 0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 68.94 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 -0.53 -0.20 -0.11 4.78 2.19 -1.02 -4.92 117.98 118.16 3k4m s PHE 250 Ca 0.00 0.58 0.03 0.00 0.33 0.00 0.00 56.93 57.87 3k4m s PHE 250 Cb 0.00 -0.12 0.01 0.00 -1.31 0.00 0.00 43.02 41.60 3k4m s PHE 250 CO 0.00 -0.21 -0.20 0.08 1.83 0.00 0.00 175.22 176.72 3k4m s VAL 251 N 1.57 1.80 -0.80 3.12 1.01 -1.26 -1.20 120.40 124.63 3k4m s VAL 251 Ca -0.05 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 3k4m s VAL 251 Cb -0.12 -1.59 0.07 0.00 0.00 0.00 0.00 36.38 34.74 3k4m s VAL 251 CO -0.06 0.50 1.15 -0.70 0.00 0.00 0.00 175.10 175.99 3k4m s GLU 252 N 0.68 3.33 0.25 2.72 2.12 0.16 -4.83 118.70 123.12 3k4m s GLU 252 Ca -0.12 -0.98 -0.30 0.00 0.36 0.00 0.00 54.97 53.93 3k4m s GLU 252 Cb -0.16 -4.58 -0.09 0.00 0.26 0.00 0.00 34.13 29.55 3k4m s GLU 252 CO 0.02 -1.94 1.23 -1.58 -0.54 0.00 0.00 175.26 172.45 3k4m s TRP 253 N 4.24 3.34 0.87 5.30 0.52 -1.26 -0.49 118.94 131.45 3k4m s TRP 253 Ca 0.31 1.44 -0.12 0.00 0.02 0.00 0.00 56.10 57.75 3k4m s TRP 253 Cb -0.09 -3.49 0.12 0.00 -1.15 0.00 0.00 33.47 28.85 3k4m s TRP 253 CO 0.03 -1.36 1.17 -1.12 0.02 0.00 0.00 176.95 175.69 3k4m s SER 254 N -0.22 3.92 0.00 2.95 0.01 0.14 -4.56 113.70 115.93 3k4m s SER 254 Ca 0.51 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.61 3k4m s SER 254 Cb -0.35 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.54 3k4m s SER 254 CO 0.42 -2.28 0.00 -1.54 0.41 0.00 0.00 173.24 170.25 3k4m n SER 255 N -3.57 0.00 -0.28 2.44 3.41 -1.26 -4.70 113.62 109.66 3k4m n SER 255 Ca 0.08 -0.80 -0.02 0.00 -0.26 0.00 0.00 58.87 57.87 3k4m n SER 255 Cb 0.60 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.71 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 1.30 -0.63 7.33 0.00 -1.78 -2.21 119.26 125.27 3k4m h ALA 256 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3k4m h ALA 256 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3k4m h ALA 256 CO 0.00 0.59 0.31 -0.97 0.00 0.00 0.00 179.25 179.18 3k4m h ASN 257 N 1.14 0.80 -0.88 0.00 -0.73 -1.56 0.11 115.58 114.46 3k4m h ASN 257 Ca 0.30 -0.08 0.11 0.00 1.87 0.00 0.00 56.30 58.50 3k4m h ASN 257 Cb -0.03 -0.20 -0.07 0.00 0.27 0.00 0.00 38.32 38.29 3k4m h ASN 257 CO -0.05 0.67 0.57 0.74 -0.37 0.00 0.00 177.43 178.99 3k4m h THR 258 N 0.89 0.93 0.08 -3.57 2.02 -1.71 -3.12 112.91 108.44 3k4m h THR 258 Ca 0.22 -0.28 -0.13 0.00 0.77 0.00 0.00 66.41 66.99 3k4m h THR 258 Cb 0.08 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.54 3k4m h THR 258 CO -0.03 0.15 -0.58 0.58 0.37 0.00 0.00 175.52 176.01 3k4m h VAL 259 N 0.82 1.56 -2.53 3.16 2.07 -0.75 -3.46 116.25 117.13 3k4m h VAL 259 Ca 0.42 -2.39 -0.09 0.00 0.82 0.00 0.00 66.70 65.46 3k4m h VAL 259 Cb 0.50 3.13 -0.25 0.00 -1.52 0.00 0.00 31.29 33.15 3k4m h VAL 259 CO -0.18 0.67 -0.20 0.12 0.02 0.00 0.00 177.57 177.99 3k4m s PHE 260 N -2.55 -0.64 -1.32 1.57 5.36 -0.08 -4.78 117.98 115.53 3k4m s PHE 260 Ca -0.15 1.41 0.29 0.00 -0.96 0.00 0.00 56.93 57.52 3k4m s PHE 260 Cb 0.00 0.29 1.39 0.00 -0.34 0.00 0.00 43.02 44.37 3k4m s PHE 260 CO 0.79 -0.34 1.97 -0.40 -1.46 0.00 0.00 175.22 175.79 3k4m n ASP 261 N 3.77 0.00 -0.70 6.13 5.68 -1.18 -3.89 116.55 126.36 3k4m n ASP 261 Ca -0.19 0.03 -0.09 0.00 -0.50 0.00 0.00 54.79 54.03 3k4m n ASP 261 Cb 0.56 -0.34 -0.04 0.00 -1.14 0.00 0.00 41.12 40.17 3k4m n ASP 261 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3k4m n LEU 262 N -1.34 -0.35 -4.79 -2.12 4.77 -1.26 -4.10 117.00 107.81 3k4m n LEU 262 Ca 0.12 0.23 -0.36 0.00 -0.03 0.00 0.00 56.01 55.97 3k4m n LEU 262 Cb 0.25 -2.16 -0.04 0.00 -2.33 0.00 0.00 43.42 39.14 3k4m n LEU 262 CO 0.23 -0.79 0.71 -1.10 -1.33 0.00 0.00 177.39 175.11 3k4m s GLN 263 N -2.56 4.16 0.28 3.23 -1.52 -1.26 -4.82 119.66 117.17 3k4m s GLN 263 Ca 0.00 1.43 -0.29 0.00 -1.95 0.00 0.00 55.36 54.55 3k4m s GLN 263 Cb 0.00 -2.47 -0.10 0.00 -0.22 0.00 0.00 33.01 30.22 3k4m s GLN 263 CO 0.00 -0.13 1.20 -0.80 -0.25 0.00 0.00 175.29 175.31 3k4m s ASN 264 N -1.69 7.05 0.09 5.90 -0.87 -1.26 -4.84 114.94 119.32 3k4m s ASN 264 Ca 0.59 2.42 0.07 0.00 -1.57 0.00 0.00 52.86 54.36 3k4m s ASN 264 Cb -0.20 -2.63 -0.03 0.00 -0.02 0.00 0.00 41.25 38.37 3k4m s ASN 264 CO 0.25 -0.33 -0.18 -0.13 -2.57 0.00 0.00 177.10 174.13 3k4m s ARG 265 N -1.32 1.03 0.35 -0.60 0.52 0.75 -4.24 118.95 115.44 3k4m s ARG 265 Ca 0.48 -1.07 -0.28 0.00 -0.52 0.00 0.00 55.73 54.34 3k4m s ARG 265 Cb -0.35 -1.19 -0.10 0.00 0.52 0.00 0.00 34.95 33.83 3k4m s ARG 265 CO 0.44 0.28 1.31 -1.25 0.02 0.00 0.00 175.30 176.10 3k4m s PRO 266 N -1.78 4.24 0.14 3.54 0.04 -0.42 -1.54 135.00 139.22 3k4m s PRO 266 Ca 0.03 2.21 -0.07 0.00 0.04 0.00 0.00 61.00 63.21 3k4m s PRO 266 Cb -0.10 -2.98 -0.01 0.00 0.04 0.00 0.00 34.50 31.45 3k4m s PRO 266 CO 0.03 -0.28 0.21 0.54 0.04 0.00 0.00 177.00 177.55 3k4m s ASN 267 N -0.55 0.12 0.27 6.66 2.20 -1.12 -4.95 114.94 117.57 3k4m s ASN 267 Ca 0.51 -0.90 -0.02 0.00 -0.94 0.00 0.00 52.86 51.51 3k4m s ASN 267 Cb -0.39 0.38 0.58 0.00 -2.00 0.00 0.00 41.25 39.82 3k4m s ASN 267 CO 0.52 -0.82 1.63 0.74 -2.94 0.00 0.00 177.10 176.23 3k4m h THR 268 N 2.66 0.29 0.00 0.54 2.02 -1.96 0.59 112.91 117.06 3k4m h THR 268 Ca -0.33 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3k4m h THR 268 Cb 1.21 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3k4m h THR 268 CO 0.52 0.02 0.00 0.47 0.37 0.00 0.00 175.52 176.91 3k4m n ASP 269 N -5.31 0.00 -2.75 4.18 8.00 -1.26 -4.23 116.55 115.17 3k4m n ASP 269 Ca 0.18 -0.13 -0.08 0.00 0.71 0.00 0.00 54.79 55.47 3k4m n ASP 269 Cb 0.59 -0.27 0.05 0.00 -0.02 0.00 0.00 41.12 41.47 3k4m n ASP 269 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k4m n ALA 270 N -1.27 -1.44 0.20 2.24 0.00 0.19 -5.03 120.51 115.41 3k4m n ALA 270 Ca 0.13 -1.39 0.05 0.00 0.00 0.00 0.00 53.44 52.23 3k4m n ALA 270 Cb 0.20 -1.35 0.42 0.00 0.00 0.00 0.00 19.45 18.72 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 4.02 0.00 -0.65 0.00 0.13 -1.41 -2.81 132.00 131.27 3k4m h PRO 271 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3k4m h PRO 271 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3k4m h PRO 271 CO 0.32 0.33 0.00 0.39 -0.23 0.00 0.00 178.00 178.81 3k4m n GLU 272 N -3.83 3.87 -4.24 0.86 -0.58 -1.26 -4.62 120.64 110.84 3k4m n GLU 272 Ca -0.01 -2.93 -0.23 0.00 -0.42 0.00 0.00 57.16 53.57 3k4m n GLU 272 Cb 0.41 -1.94 -0.06 0.00 -0.57 0.00 0.00 31.44 29.28 3k4m n GLU 272 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3k4m s GLU 273 N -1.94 2.46 -0.13 3.49 2.02 -1.08 -4.94 118.70 118.58 3k4m s GLU 273 Ca 0.52 -1.33 -0.02 0.00 0.02 0.00 0.00 54.97 54.16 3k4m s GLU 273 Cb 0.34 -2.26 0.04 0.00 0.10 0.00 0.00 34.13 32.35 3k4m s GLU 273 CO 0.24 0.36 0.01 1.03 0.02 0.00 0.00 175.26 176.93 3k4m s ARG 274 N -3.73 0.67 -0.21 1.61 0.52 -1.26 -1.30 118.95 115.25 3k4m s ARG 274 Ca 0.32 -0.15 -0.18 0.00 -0.52 0.00 0.00 55.73 55.19 3k4m s ARG 274 Cb -0.07 -1.54 0.05 0.00 0.52 0.00 0.00 34.95 33.92 3k4m s ARG 274 CO 0.21 -0.46 0.54 0.12 0.02 0.00 0.00 175.30 175.73 3k4m s PHE 275 N 1.91 -0.62 -0.02 -0.53 5.36 -0.59 -1.75 117.98 121.75 3k4m s PHE 275 Ca 0.02 1.48 0.00 0.00 -0.96 0.00 0.00 56.93 57.47 3k4m s PHE 275 Cb -0.15 0.23 0.02 0.00 -0.34 0.00 0.00 43.02 42.78 3k4m s PHE 275 CO -0.07 -0.30 -0.00 -0.80 -1.46 0.00 0.00 175.22 172.59 3k4m s ASN 276 N 0.41 0.29 -0.12 6.13 -0.87 -0.87 -0.18 114.94 119.74 3k4m s ASN 276 Ca -0.01 -0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.26 3k4m s ASN 276 Cb -0.04 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.25 41.03 3k4m s ASN 276 CO -0.01 -0.07 -0.11 -0.22 -2.57 0.00 0.00 177.10 174.12 3k4m s LEU 277 N 0.72 2.84 -0.38 0.60 2.96 -1.26 -1.26 118.68 122.89 3k4m s LEU 277 Ca -0.07 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 3k4m s LEU 277 Cb -0.10 -1.63 0.11 0.00 0.50 0.00 0.00 46.19 45.07 3k4m s LEU 277 CO -0.01 0.21 0.11 -0.36 -1.32 0.00 0.00 176.35 174.98 3k4m s PHE 278 N 0.08 3.35 0.80 5.38 0.08 0.16 -4.98 117.98 122.84 3k4m s PHE 278 Ca -0.04 -2.89 -0.12 0.00 0.12 0.00 0.00 56.93 53.99 3k4m s PHE 278 Cb -0.14 -2.74 0.07 0.00 -0.57 0.00 0.00 43.02 39.64 3k4m s PHE 278 CO 0.04 -0.89 1.13 -2.14 -0.10 0.00 0.00 175.22 173.27 3k4m s PRO 279 N 0.67 2.10 -1.30 0.24 0.02 -1.26 -1.38 135.00 134.09 3k4m s PRO 279 Ca 0.13 0.34 -0.02 0.00 0.02 0.00 0.00 61.00 61.46 3k4m s PRO 279 Cb -0.21 -1.95 0.01 0.00 0.02 0.00 0.00 34.50 32.38 3k4m s PRO 279 CO -0.07 -1.54 0.89 0.00 -0.33 0.00 0.00 177.00 175.94 3k4m n ALA 280 N -3.33 -1.87 -3.69 -1.55 0.00 0.62 -4.82 120.51 105.87 3k4m n ALA 280 Ca 0.07 -0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 3k4m n ALA 280 Cb 0.59 -2.73 -0.16 0.00 0.00 0.00 0.00 19.45 17.15 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 -3.49 0.48 -0.36 0.00 1.01 -0.08 -1.71 120.40 116.26 3k4m s VAL 281 Ca 0.13 -0.85 -0.28 0.00 0.00 0.00 0.00 61.98 60.97 3k4m s VAL 281 Cb -0.06 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 3k4m s VAL 281 CO 0.78 -0.48 1.85 0.00 0.00 0.00 0.00 175.10 177.25 3k4m s ALA 282 N 1.85 2.75 -0.15 5.51 0.00 -0.64 -2.67 121.76 128.41 3k4m s ALA 282 Ca 0.05 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.91 3k4m s ALA 282 Cb -0.17 -4.06 -0.01 0.00 0.00 0.00 0.00 23.12 18.89 3k4m s ALA 282 CO -0.20 -2.83 1.00 0.00 0.00 0.00 0.00 175.76 173.73 3k4m n GLU 284 N 5.38 1.12 -3.62 0.00 1.02 -0.77 -4.95 120.64 118.81 3k4m n GLU 284 Ca 0.09 0.02 -0.15 0.00 -0.02 0.00 0.00 57.16 57.10 3k4m n GLU 284 Cb 0.48 -1.12 -0.07 0.00 -0.02 0.00 0.00 31.44 30.71 3k4m n GLU 284 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3k4m s ARG 285 N -2.11 0.84 -0.19 3.49 0.52 -1.21 -4.70 118.95 115.60 3k4m s ARG 285 Ca -0.06 0.41 -0.10 0.00 -0.52 0.00 0.00 55.73 55.47 3k4m s ARG 285 Cb 0.02 0.40 -0.05 0.00 0.52 0.00 0.00 34.95 35.84 3k4m s ARG 285 CO 0.15 -0.20 0.14 0.14 0.02 0.00 0.00 175.30 175.55 3k4m s VAL 286 N -0.60 5.42 -0.26 3.52 -7.23 -1.26 0.73 120.40 120.72 3k4m s VAL 286 Ca -0.07 0.21 -0.23 0.00 -1.81 0.00 0.00 61.98 60.08 3k4m s VAL 286 Cb -0.03 -3.47 -0.01 0.00 0.56 0.00 0.00 36.38 33.44 3k4m s VAL 286 CO 0.05 0.47 0.78 -0.69 -0.31 0.00 0.00 175.10 175.40 3k4m s VAL 287 N 0.14 4.85 0.20 1.32 1.01 -0.58 -4.81 120.40 122.55 3k4m s VAL 287 Ca 0.09 1.39 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 3k4m s VAL 287 Cb -0.11 -4.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 3k4m s VAL 287 CO -0.01 -0.10 1.07 -0.13 0.00 0.00 0.00 175.10 175.93 3k4m s ARG 288 N 2.81 4.65 0.94 2.72 0.52 -1.26 0.28 118.95 129.61 3k4m s ARG 288 Ca 0.33 1.68 -0.11 0.00 -0.52 0.00 0.00 55.73 57.11 3k4m s ARG 288 Cb -0.15 -3.27 0.16 0.00 0.52 0.00 0.00 34.95 32.21 3k4m s ARG 288 CO 0.09 0.18 1.09 0.54 0.02 0.00 0.00 175.30 177.22 3k4m s ASN 289 N -0.41 2.94 0.44 0.23 4.22 -0.63 -4.86 114.94 116.86 3k4m s ASN 289 Ca 0.47 1.74 0.17 0.00 -2.14 0.00 0.00 52.86 53.10 3k4m s ASN 289 Cb -0.29 -2.36 1.09 0.00 1.28 0.00 0.00 41.25 40.97 3k4m s ASN 289 CO 0.35 -3.02 1.93 0.00 -2.04 0.00 0.00 177.10 174.33 3k4m h ALA 290 N -1.81 2.16 -0.00 3.54 0.00 -1.97 -1.72 119.26 119.45 3k4m h ALA 290 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3k4m h ALA 290 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3k4m h ALA 290 CO 0.49 -0.35 -0.02 1.28 0.00 0.00 0.00 179.25 180.66 3k4m n LEU 291 N -4.46 0.07 -3.67 0.00 4.77 -1.26 -4.94 117.00 107.51 3k4m n LEU 291 Ca 0.13 0.26 -0.21 0.00 -0.03 0.00 0.00 56.01 56.17 3k4m n LEU 291 Cb 0.53 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.37 3k4m n LEU 291 CO 0.33 0.01 -0.04 0.59 -1.33 0.00 0.00 177.39 176.96 3k4m n ASN 292 N -1.27 -1.34 0.00 -1.43 3.02 -0.65 -4.92 115.26 108.68 3k4m n ASN 292 Ca 0.14 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 3k4m n ASN 292 Cb 0.26 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.22 3k4m n ASN 292 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3k4m n SER 293 N -3.06 0.37 -3.62 6.41 3.41 -1.26 -4.52 113.62 111.35 3k4m n SER 293 Ca -0.29 -0.93 -0.09 0.00 -0.26 0.00 0.00 58.87 57.30 3k4m n SER 293 Cb 0.67 0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.60 3k4m n SER 293 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3k4m s GLU 294 N -0.04 0.50 -0.08 4.33 2.12 -1.26 -2.02 118.70 122.25 3k4m s GLU 294 Ca 0.00 0.45 -0.13 0.00 0.36 0.00 0.00 54.97 55.65 3k4m s GLU 294 Cb 0.00 0.24 -0.05 0.00 0.26 0.00 0.00 34.13 34.58 3k4m s GLU 294 CO 0.00 -0.09 0.33 0.42 -0.54 0.00 0.00 175.26 175.38 3k4m s ILE 295 N -0.13 5.21 -0.16 -3.70 -1.09 -1.26 -1.61 121.20 118.46 3k4m s ILE 295 Ca 0.02 0.64 0.15 0.00 -2.23 0.00 0.00 60.65 59.23 3k4m s ILE 295 Cb -0.04 -3.63 -0.20 0.00 -1.58 0.00 0.00 42.46 37.01 3k4m s ILE 295 CO -0.05 0.52 0.06 -0.62 -1.23 0.00 0.00 174.94 173.62 3k4m n GLU 296 N 2.45 1.31 -3.90 2.79 -0.58 0.14 -4.93 120.64 117.92 3k4m n GLU 296 Ca -0.14 -0.01 -0.09 0.00 -0.42 0.00 0.00 57.16 56.50 3k4m n GLU 296 Cb 0.53 -1.42 -0.02 0.00 -0.57 0.00 0.00 31.44 29.96 3k4m n GLU 296 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3k4m s SER 297 N -5.03 -0.02 -0.11 1.62 1.04 -1.25 -4.76 113.70 105.18 3k4m s SER 297 Ca -0.08 -0.93 0.02 0.00 0.48 0.00 0.00 55.95 55.44 3k4m s SER 297 Cb 0.05 0.73 -0.01 0.00 0.10 0.00 0.00 66.02 66.89 3k4m s SER 297 CO 0.67 -1.40 -0.19 -0.22 0.98 0.00 0.00 173.24 173.09 3k4m s LEU 298 N -3.02 2.40 -0.21 2.42 2.96 0.13 -1.52 118.68 121.84 3k4m s LEU 298 Ca 0.17 -0.45 -0.12 0.00 -0.22 0.00 0.00 54.13 53.51 3k4m s LEU 298 Cb -0.04 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 45.09 3k4m s LEU 298 CO 0.10 0.16 0.21 -2.28 -1.32 0.00 0.00 176.35 173.23 3k4m s HIS 299 N 0.35 3.37 0.37 5.38 5.65 0.22 0.12 115.29 130.75 3k4m s HIS 299 Ca -0.15 0.37 0.06 0.00 0.25 0.00 0.00 55.06 55.59 3k4m s HIS 299 Cb -0.17 -2.30 -0.07 0.00 -1.18 0.00 0.00 32.58 28.86 3k4m s HIS 299 CO 0.07 0.12 0.01 0.96 -0.65 0.00 0.00 174.74 175.25 3k4m s ILE 300 N 0.88 1.78 -0.29 0.89 -4.36 0.79 -1.84 121.20 119.04 3k4m s ILE 300 Ca 0.11 -2.03 -0.01 0.00 -0.26 0.00 0.00 60.65 58.46 3k4m s ILE 300 Cb -0.13 -2.87 0.13 0.00 1.25 0.00 0.00 42.46 40.84 3k4m s ILE 300 CO 0.04 -0.04 0.27 -2.28 0.24 0.00 0.00 174.94 173.16 3k4m s HIS 301 N -2.88 -0.33 -0.29 1.37 5.65 -0.32 -1.43 115.29 117.05 3k4m s HIS 301 Ca 0.35 -0.28 -0.28 0.00 0.25 0.00 0.00 55.06 55.10 3k4m s HIS 301 Cb 0.09 -0.53 -0.04 0.00 -1.18 0.00 0.00 32.58 30.91 3k4m s HIS 301 CO 0.17 -0.90 2.12 0.34 -0.65 0.00 0.00 174.74 175.82 3k4m s ASP 302 N 2.32 5.44 0.55 9.88 -1.08 0.01 -1.62 116.67 132.17 3k4m s ASP 302 Ca 0.09 1.60 0.34 0.00 -0.52 0.00 0.00 52.55 54.06 3k4m s ASP 302 Cb -0.14 -2.51 1.52 0.00 -1.46 0.00 0.00 42.92 40.32 3k4m s ASP 302 CO -0.33 -2.02 2.05 -0.07 0.52 0.00 0.00 175.17 175.32 3k4m h LEU 303 N 15.28 0.00 0.00 -1.34 3.38 -1.63 0.55 115.31 131.56 3k4m h LEU 303 Ca -0.37 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.47 3k4m h LEU 303 Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3k4m h LEU 303 CO 1.01 0.05 -0.78 0.40 0.09 0.00 0.00 178.44 179.20 3k4m h ILE 304 N 0.00 1.08 -0.11 1.22 1.08 -1.90 -3.34 117.51 115.54 3k4m h ILE 304 Ca -0.00 -2.10 -0.17 0.00 -0.39 0.00 0.00 64.86 62.20 3k4m h ILE 304 Cb 0.43 2.33 -0.01 0.00 -3.07 0.00 0.00 36.82 36.50 3k4m h ILE 304 CO 0.01 0.37 -0.64 0.77 -0.69 0.00 0.00 178.15 177.96 3k4m h SER 305 N -1.00 0.49 0.00 1.72 4.64 -1.94 -3.48 113.55 113.98 3k4m h SER 305 Ca -0.21 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3k4m h SER 305 Cb 1.11 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3k4m h SER 305 CO -0.13 1.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.45 3k4m n GLY 306 N 0.38 0.68 3.84 -0.77 0.00 0.19 -5.06 105.19 104.45 3k4m n GLY 306 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.99 6.84 -0.07 1.61 1.01 -1.21 -4.84 116.67 117.02 3k4m s ASP 307 Ca 0.00 1.31 -0.09 0.00 0.71 0.00 0.00 52.55 54.48 3k4m s ASP 307 Cb 0.00 -2.38 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 3k4m s ASP 307 CO 0.00 -0.15 0.23 -0.13 0.21 0.00 0.00 175.17 175.33 3k4m s ARG 308 N -2.75 3.58 0.08 8.23 0.52 -1.26 -0.81 118.95 126.55 3k4m s ARG 308 Ca 0.51 0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.75 3k4m s ARG 308 Cb -0.12 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 3k4m s ARG 308 CO 0.18 0.74 -0.04 -0.06 0.02 0.00 0.00 175.30 176.14 3k4m s PHE 309 N -1.08 0.73 0.01 -0.53 0.08 -0.52 -4.97 117.98 111.71 3k4m s PHE 309 Ca 0.19 -1.01 0.03 0.00 0.12 0.00 0.00 56.93 56.26 3k4m s PHE 309 Cb -0.13 -0.46 -0.03 0.00 -0.57 0.00 0.00 43.02 41.82 3k4m s PHE 309 CO 0.08 -0.28 -0.07 -1.21 -0.10 0.00 0.00 175.22 173.64 3k4m s GLU 310 N -3.89 2.53 -0.03 0.44 0.41 -1.26 -0.15 118.70 116.76 3k4m s GLU 310 Ca 0.11 -0.73 0.05 0.00 -0.41 0.00 0.00 54.97 53.99 3k4m s GLU 310 Cb 0.07 -2.49 -0.01 0.00 -1.78 0.00 0.00 34.13 29.92 3k4m s GLU 310 CO -0.06 0.60 -0.19 0.42 -0.49 0.00 0.00 175.26 175.54 3k4m s ILE 311 N -1.00 1.52 0.01 -1.63 -1.09 0.32 -4.91 121.20 114.41 3k4m s ILE 311 Ca 0.17 -0.80 -0.00 0.00 -2.23 0.00 0.00 60.65 57.79 3k4m s ILE 311 Cb -0.11 -1.28 -0.04 0.00 -1.58 0.00 0.00 42.46 39.46 3k4m s ILE 311 CO 0.08 0.43 0.09 -0.75 -1.23 0.00 0.00 174.94 173.55 3k4m s LYS 312 N -0.27 3.06 0.15 2.79 2.20 0.05 0.23 119.74 127.95 3k4m s LYS 312 Ca 0.03 -0.51 -0.22 0.00 -0.36 0.00 0.00 55.97 54.92 3k4m s LYS 312 Cb -0.09 -2.85 0.06 0.00 -1.51 0.00 0.00 37.83 33.44 3k4m s LYS 312 CO 0.00 0.64 0.56 0.00 -0.36 0.00 0.00 175.35 176.19 3k4m s ALA 313 N -1.23 -1.46 0.09 3.13 0.00 -1.25 -1.45 121.76 119.59 3k4m s ALA 313 Ca 0.24 0.39 -0.14 0.00 0.00 0.00 0.00 51.96 52.45 3k4m s ALA 313 Cb -0.12 0.83 -0.15 0.00 0.00 0.00 0.00 23.12 23.68 3k4m s ALA 313 CO 0.15 -0.73 1.30 -0.44 0.00 0.00 0.00 175.76 176.04 3k4m h ASP 314 N 2.10 0.87 -4.29 0.00 3.32 -1.04 -3.46 116.42 113.92 3k4m h ASP 314 Ca -0.34 -0.62 -0.60 0.00 0.02 0.00 0.00 57.03 55.49 3k4m h ASP 314 Cb 1.30 -0.26 -0.30 0.00 0.22 0.00 0.00 39.33 40.29 3k4m h ASP 314 CO 0.40 1.34 -0.85 -0.69 -1.72 0.00 0.00 179.24 177.72 3k4m s VAL 315 N -3.79 1.62 -0.14 -1.35 1.01 -0.44 -4.83 120.40 112.49 3k4m s VAL 315 Ca -0.11 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.02 3k4m s VAL 315 Cb 0.08 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 35.12 3k4m s VAL 315 CO 0.88 0.46 -0.17 -0.31 0.00 0.00 0.00 175.10 175.97 3k4m s TYR 316 N -0.36 2.26 -0.15 5.22 1.51 -0.19 -1.92 117.35 123.72 3k4m s TYR 316 Ca 0.05 -1.19 0.01 0.00 -1.01 0.00 0.00 57.07 54.93 3k4m s TYR 316 Cb -0.09 -1.61 0.02 0.00 -0.11 0.00 0.00 41.96 40.16 3k4m s TYR 316 CO 0.00 -0.61 -0.18 0.08 -1.11 0.00 0.00 175.55 173.73 3k4m s VAL 317 N 1.18 1.84 -0.35 0.71 1.01 -0.33 -0.85 120.40 123.61 3k4m s VAL 317 Ca -0.01 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 3k4m s VAL 317 Cb -0.14 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.59 3k4m s VAL 317 CO -0.06 0.50 0.16 -0.76 0.00 0.00 0.00 175.10 174.94 3k4m s LEU 318 N 1.23 4.49 -0.39 3.92 1.43 -0.17 -0.86 118.68 128.32 3k4m s LEU 318 Ca 0.01 -1.00 0.11 0.00 -1.03 0.00 0.00 54.13 52.23 3k4m s LEU 318 Cb -0.14 -1.96 0.42 0.00 0.03 0.00 0.00 46.19 44.55 3k4m s LEU 318 CO -0.09 -0.34 0.98 0.35 0.23 0.00 0.00 176.35 177.48 3k4m n THR 319 N 4.92 1.56 1.26 5.49 -2.24 0.27 -1.83 114.28 123.71 3k4m n THR 319 Ca -0.12 -4.14 0.11 0.00 -2.27 0.00 0.00 64.05 57.63 3k4m n THR 319 Cb 0.46 -0.33 0.40 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.19 2.53 0.00 6.98 0.00 -1.18 -4.33 120.51 124.31 3k4m n ALA 320 Ca 0.24 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3k4m n ALA 320 Cb 0.70 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3k4m n ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4m n GLY 321 N 1.14 0.61 0.25 0.00 0.00 -1.26 -4.22 105.19 101.70 3k4m n GLY 321 Ca 0.17 -1.79 0.01 0.00 0.00 0.00 0.00 46.02 44.41 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 1.44 0.11 4.61 0.00 -1.93 0.05 119.26 123.54 3k4m h ALA 322 Ca 0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 3k4m h ALA 322 Cb 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.69 3k4m h ALA 322 CO 0.00 0.39 -0.96 0.28 0.00 0.00 0.00 179.25 178.97 3k4m h VAL 323 N 0.32 1.34 0.00 0.00 2.07 -1.96 -3.36 116.25 114.67 3k4m h VAL 323 Ca 0.07 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.14 3k4m h VAL 323 Cb 0.39 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 3k4m h VAL 323 CO 0.02 0.68 -0.26 0.45 0.02 0.00 0.00 177.57 178.47 3k4m h HIS 324 N -0.46 0.00 -0.35 1.57 -0.00 -1.69 -2.00 115.15 112.22 3k4m h HIS 324 Ca -0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.16 3k4m h HIS 324 Cb 1.59 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.98 3k4m h HIS 324 CO 0.18 0.00 0.17 -0.91 -0.00 0.00 0.00 177.93 177.36 3k4m h ASN 325 N 0.00 0.47 -0.19 2.45 2.35 -1.17 -2.35 115.58 117.13 3k4m h ASN 325 Ca 0.00 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 3k4m h ASN 325 Cb 0.98 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 3k4m h ASN 325 CO 0.00 0.46 0.06 0.74 -1.65 0.00 0.00 177.43 177.04 3k4m h THR 326 N 0.43 1.19 -0.43 2.81 2.02 -1.67 -1.62 112.91 115.64 3k4m h THR 326 Ca 0.12 -0.59 0.08 0.00 0.77 0.00 0.00 66.41 66.79 3k4m h THR 326 Cb 0.12 1.22 -0.07 0.00 -1.74 0.00 0.00 68.15 67.68 3k4m h THR 326 CO -0.01 0.19 -0.00 -0.61 0.37 0.00 0.00 175.52 175.45 3k4m h GLN 327 N 0.14 0.10 -0.31 6.66 4.15 -1.33 0.38 115.11 124.90 3k4m h GLN 327 Ca 0.06 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 3k4m h GLN 327 Cb 0.23 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3k4m h GLN 327 CO -0.00 0.07 0.06 1.25 -1.93 0.00 0.00 178.83 178.28 3k4m h LEU 328 N 0.11 0.49 -0.19 -2.39 5.85 -1.35 0.43 115.31 118.26 3k4m h LEU 328 Ca 0.22 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3k4m h LEU 328 Cb 0.31 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3k4m h LEU 328 CO -0.36 0.61 0.05 -0.07 -0.34 0.00 0.00 178.44 178.33 3k4m h LEU 329 N 0.35 0.03 -1.11 2.25 3.38 -0.78 -1.63 115.31 117.79 3k4m h LEU 329 Ca 0.10 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3k4m h LEU 329 Cb 0.32 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3k4m h LEU 329 CO 0.00 0.04 -0.35 0.58 0.09 0.00 0.00 178.44 178.81 3k4m h VAL 330 N 0.13 1.28 0.00 1.22 2.07 0.07 -1.44 116.25 119.57 3k4m h VAL 330 Ca 0.08 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.28 3k4m h VAL 330 Cb 0.07 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3k4m h VAL 330 CO -0.11 0.39 0.00 -3.20 0.02 0.00 0.00 177.57 174.68 3k4m n ASN 331 N -4.09 0.00 -0.21 0.57 5.15 0.15 -2.15 115.26 114.69 3k4m n ASN 331 Ca -0.01 -0.25 0.04 0.00 -0.60 0.00 0.00 54.58 53.75 3k4m n ASN 331 Cb 0.42 -0.15 0.01 0.00 -0.53 0.00 0.00 39.78 39.53 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 -1.15 1.22 0.00 1.20 7.64 -0.60 -4.89 113.62 117.05 3k4m n SER 332 Ca 0.11 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.88 3k4m n SER 332 Cb 0.10 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.64 0.86 3.91 0.23 0.00 -0.91 -4.74 105.19 105.18 3k4m n GLY 333 Ca 0.03 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 3k4m n GLY 333 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4m s PHE 334 N -2.00 3.47 0.00 1.61 0.40 -0.85 -4.66 117.98 115.95 3k4m s PHE 334 Ca 0.00 0.52 0.00 0.00 -0.60 0.00 0.00 56.93 56.85 3k4m s PHE 334 Cb 0.00 -1.99 0.00 0.00 0.51 0.00 0.00 43.02 41.54 3k4m s PHE 334 CO 0.00 0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.67 3k4m n GLY 335 N -0.45 2.52 2.74 4.36 0.00 0.90 -4.05 105.19 111.21 3k4m n GLY 335 Ca -0.03 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 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 0.18 0.23 1.61 0.74 -1.26 -4.65 119.66 116.50 3k4m s GLN 336 Ca 0.00 0.19 -0.30 0.00 0.05 0.00 0.00 55.36 55.30 3k4m s GLN 336 Cb 0.00 -1.23 -0.10 0.00 1.10 0.00 0.00 33.01 32.78 3k4m s GLN 336 CO 0.00 -0.65 1.47 -1.17 -0.55 0.00 0.00 175.29 174.39 3k4m s LEU 337 N 2.31 4.38 0.00 3.68 2.96 -1.26 -4.74 118.68 126.01 3k4m s LEU 337 Ca 0.06 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.62 3k4m s LEU 337 Cb -0.16 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.92 3k4m s LEU 337 CO -0.12 -0.73 0.00 0.61 -1.32 0.00 0.00 176.35 174.80 3k4m n GLY 338 N 2.55 1.06 3.61 7.98 0.00 -0.16 -4.90 105.19 115.34 3k4m n GLY 338 Ca 0.08 -2.10 -0.47 0.00 0.00 0.00 0.00 46.02 43.53 3k4m n GLY 338 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k4m n ARG 339 N 0.54 1.51 -2.09 1.61 0.63 -1.26 -4.62 116.66 112.98 3k4m n ARG 339 Ca 0.00 0.54 -0.37 0.00 -0.92 0.00 0.00 57.85 57.10 3k4m n ARG 339 Cb 0.00 -2.10 0.02 0.00 0.45 0.00 0.00 32.46 30.83 3k4m n ARG 339 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3k4m s PRO 340 N -0.38 3.34 -0.40 -0.14 0.02 -1.26 -4.98 135.00 131.20 3k4m s PRO 340 Ca 0.71 1.86 0.04 0.00 0.02 0.00 0.00 61.00 63.63 3k4m s PRO 340 Cb -0.77 -2.17 0.16 0.00 0.02 0.00 0.00 34.50 31.74 3k4m s PRO 340 CO 0.51 -0.92 0.44 1.21 -0.33 0.00 0.00 177.00 177.91 3k4m s ASN 341 N -1.41 0.66 0.57 2.53 3.04 -1.26 -5.00 114.94 114.06 3k4m s ASN 341 Ca 0.71 -1.76 0.32 0.00 0.04 0.00 0.00 52.86 52.17 3k4m s ASN 341 Cb -0.31 0.70 1.45 0.00 -1.54 0.00 0.00 41.25 41.55 3k4m s ASN 341 CO 0.36 -0.21 1.81 1.55 -3.04 0.00 0.00 177.10 177.56 3k4m h PRO 342 N 6.59 0.00 -0.46 0.43 0.13 -2.01 0.45 132.00 137.14 3k4m h PRO 342 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3k4m h PRO 342 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3k4m h PRO 342 CO 0.19 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.96 3k4m n ALA 343 N -2.55 2.25 -2.71 -0.56 0.00 -1.26 -3.95 120.51 111.73 3k4m n ALA 343 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.57 3k4m n ALA 343 Cb 0.99 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 3k4m n ALA 343 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k4m n ASN 344 N -0.16 -0.40 -4.74 0.00 5.15 0.16 -5.13 115.26 110.14 3k4m n ASN 344 Ca 0.00 -2.34 -0.36 0.00 -0.60 0.00 0.00 54.58 51.28 3k4m n ASN 344 Cb 0.11 0.31 0.06 0.00 -0.53 0.00 0.00 39.78 39.73 3k4m n ASN 344 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3k4m s PRO 345 N -1.30 2.62 0.43 1.20 0.02 -1.25 -4.90 135.00 131.82 3k4m s PRO 345 Ca 0.20 1.90 -0.16 0.00 0.02 0.00 0.00 61.00 62.96 3k4m s PRO 345 Cb 0.41 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.97 3k4m s PRO 345 CO -0.07 -1.50 0.88 -1.25 -0.33 0.00 0.00 177.00 174.73 3k4m s PRO 346 N -3.49 3.97 0.06 5.54 0.04 -1.26 -4.99 135.00 134.87 3k4m s PRO 346 Ca 0.79 0.81 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 3k4m s PRO 346 Cb -0.33 -2.26 -0.17 0.00 0.04 0.00 0.00 34.50 31.78 3k4m s PRO 346 CO 0.38 -0.08 1.58 1.49 0.04 0.00 0.00 177.00 180.41 3k4m h GLU 347 N 1.45 -0.23 -5.84 4.56 4.81 -1.91 -3.42 114.58 114.01 3k4m h GLU 347 Ca -0.48 0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 58.10 3k4m h GLU 347 Cb 1.18 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.49 3k4m h GLU 347 CO 0.63 -0.06 -0.58 -0.51 -0.73 0.00 0.00 179.01 177.76 3k4m s LEU 348 N -9.94 3.82 -0.94 1.64 1.43 -1.26 -4.75 118.68 108.68 3k4m s LEU 348 Ca -0.14 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 3k4m s LEU 348 Cb 0.04 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.37 3k4m s LEU 348 CO 0.64 0.38 0.67 0.18 0.23 0.00 0.00 176.35 178.45 3k4m n LEU 349 N 2.17 -2.61 0.21 1.79 4.77 -1.26 -0.07 117.00 122.00 3k4m n LEU 349 Ca -0.19 -0.89 0.15 0.00 -0.03 0.00 0.00 56.01 55.05 3k4m n LEU 349 Cb 0.54 -2.06 0.73 0.00 -2.33 0.00 0.00 43.42 40.30 3k4m n LEU 349 CO 0.29 0.23 0.94 1.55 -1.33 0.00 0.00 177.39 179.07 3k4m h PRO 350 N -0.91 0.00 0.00 3.23 0.13 -1.85 -1.45 132.00 131.15 3k4m h PRO 350 Ca -0.55 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 3k4m h PRO 350 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3k4m h PRO 350 CO 0.41 0.00 -0.48 0.43 -0.23 0.00 0.00 178.00 178.13 3k4m n SER 351 N -2.53 0.56 -4.65 1.44 7.64 -1.26 -4.86 113.62 109.96 3k4m n SER 351 Ca -0.01 0.06 -0.48 0.00 1.01 0.00 0.00 58.87 59.45 3k4m n SER 351 Cb 0.10 0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.32 3k4m n SER 351 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3k4m n LEU 352 N -1.85 2.77 0.00 -3.43 7.94 -0.55 -1.62 117.00 120.26 3k4m n LEU 352 Ca 0.05 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.02 3k4m n LEU 352 Cb 0.39 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 42.99 3k4m n LEU 352 CO 0.35 -0.44 0.00 0.61 -1.11 0.00 0.00 177.39 176.79 3k4m n GLY 353 N 3.36 0.40 3.93 -3.96 0.00 -0.05 -4.91 105.19 103.96 3k4m n GLY 353 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 3k4m n GLY 353 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4m s SER 354 N -2.15 5.16 -1.22 1.61 0.01 -0.64 -0.08 113.70 116.38 3k4m s SER 354 Ca 0.00 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.53 3k4m s SER 354 Cb 0.00 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.81 3k4m s SER 354 CO 0.00 -0.79 0.00 -1.22 0.41 0.00 0.00 173.24 171.64 3k4m n TYR 355 N -1.71 -0.49 -1.75 2.43 4.02 -0.99 -4.63 117.16 114.04 3k4m n TYR 355 Ca 0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.55 3k4m n TYR 355 Cb 0.61 -2.40 0.03 0.00 -0.02 0.00 0.00 39.34 37.57 3k4m n TYR 355 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 3k4m n ILE 356 N -1.84 3.48 -4.55 -0.72 -5.35 -0.96 -4.24 119.36 105.19 3k4m n ILE 356 Ca -0.12 -0.50 -0.29 0.00 -0.27 0.00 0.00 62.75 61.57 3k4m n ILE 356 Cb 0.39 -1.75 -0.14 0.00 -1.74 0.00 0.00 39.64 36.40 3k4m n ILE 356 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3k4m s THR 357 N -1.25 2.19 -0.09 7.28 -4.23 -0.65 -4.60 115.64 114.30 3k4m s THR 357 Ca 0.68 -1.63 -0.12 0.00 -1.18 0.00 0.00 61.69 59.43 3k4m s THR 357 Cb -0.43 -1.92 0.03 0.00 1.34 0.00 0.00 72.50 71.52 3k4m s THR 357 CO 0.52 0.17 0.32 -0.70 -0.54 0.00 0.00 174.62 174.39 3k4m s GLU 358 N -1.79 0.48 0.22 3.99 2.56 -1.26 -1.29 118.70 121.62 3k4m s GLU 358 Ca 0.13 0.23 -0.30 0.00 0.00 0.00 0.00 54.97 55.03 3k4m s GLU 358 Cb -0.10 0.22 -0.09 0.00 2.00 0.00 0.00 34.13 36.17 3k4m s GLU 358 CO 0.05 -0.09 0.98 -0.65 -0.56 0.00 0.00 175.26 174.99 3k4m s GLN 359 N -0.35 4.78 0.43 4.30 -0.21 -1.26 -4.53 119.66 122.82 3k4m s GLN 359 Ca -0.05 1.56 -0.25 0.00 0.02 0.00 0.00 55.36 56.64 3k4m s GLN 359 Cb -0.03 -3.28 -0.08 0.00 1.00 0.00 0.00 33.01 30.62 3k4m s GLN 359 CO 0.02 0.39 1.32 -1.12 -2.12 0.00 0.00 175.29 173.78 3k4m s SER 360 N -0.88 6.14 -0.13 5.90 0.01 -1.23 -4.65 113.70 118.86 3k4m s SER 360 Ca 0.43 2.69 -0.02 0.00 1.31 0.00 0.00 55.95 60.37 3k4m s SER 360 Cb -0.27 -2.64 0.04 0.00 0.21 0.00 0.00 66.02 63.36 3k4m s SER 360 CO 0.34 -0.97 -0.00 -0.22 0.41 0.00 0.00 173.24 172.79 3k4m s LEU 361 N -2.60 1.00 0.03 2.44 2.96 -1.26 -0.94 118.68 120.32 3k4m s LEU 361 Ca 0.59 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 3k4m s LEU 361 Cb -0.39 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.66 3k4m s LEU 361 CO 0.49 -0.22 0.05 0.68 -1.32 0.00 0.00 176.35 176.03 3k4m s VAL 362 N 1.86 4.44 -0.06 1.68 -7.23 -0.29 -0.90 120.40 119.90 3k4m s VAL 362 Ca 0.02 -0.63 -0.05 0.00 -1.81 0.00 0.00 61.98 59.51 3k4m s VAL 362 Cb -0.14 -3.06 0.01 0.00 0.56 0.00 0.00 36.38 33.75 3k4m s VAL 362 CO -0.07 0.26 0.15 0.12 -0.31 0.00 0.00 175.10 175.25 3k4m s PHE 363 N -1.24 -0.16 0.32 2.82 5.36 -0.26 -1.00 117.98 123.81 3k4m s PHE 363 Ca 0.24 0.40 -0.08 0.00 -0.96 0.00 0.00 56.93 56.53 3k4m s PHE 363 Cb -0.12 0.05 0.01 0.00 -0.34 0.00 0.00 43.02 42.62 3k4m s PHE 363 CO 0.16 -0.08 0.52 0.00 -1.46 0.00 0.00 175.22 174.36 3k4m s GLN 365 N -3.27 1.23 0.31 0.00 -0.21 -0.54 0.39 119.66 117.57 3k4m s GLN 365 Ca 0.26 -1.25 0.09 0.00 0.02 0.00 0.00 55.36 54.47 3k4m s GLN 365 Cb -0.01 -1.52 -0.04 0.00 1.00 0.00 0.00 33.01 32.44 3k4m s GLN 365 CO 0.15 0.35 0.07 0.95 -2.12 0.00 0.00 175.29 174.69 3k4m s THR 366 N -1.28 3.20 -0.25 -0.19 -4.23 0.11 -0.57 115.64 112.44 3k4m s THR 366 Ca 0.10 -1.80 -0.03 0.00 -1.18 0.00 0.00 61.69 58.78 3k4m s THR 366 Cb -0.09 -2.92 0.02 0.00 1.34 0.00 0.00 72.50 70.84 3k4m s THR 366 CO 0.05 -0.27 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.13 3k4m s VAL 367 N -2.38 3.12 0.26 2.29 1.01 -0.61 -2.04 120.40 122.05 3k4m s VAL 367 Ca 0.35 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 3k4m s VAL 367 Cb -0.04 -2.54 -0.14 0.00 0.00 0.00 0.00 36.38 33.66 3k4m s VAL 367 CO 0.21 0.25 1.21 0.80 0.00 0.00 0.00 175.10 177.57 3k4m n MET 368 N 4.73 1.65 -1.72 2.72 1.56 0.20 -3.72 117.12 122.53 3k4m n MET 368 Ca -0.17 0.58 -0.38 0.00 -0.27 0.00 0.00 57.70 57.47 3k4m n MET 368 Cb 0.48 -2.10 0.06 0.00 2.15 0.00 0.00 33.22 33.81 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 1.59 2.17 -0.27 6.12 3.41 0.01 -4.84 113.62 121.82 3k4m n SER 369 Ca 0.10 0.87 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 3k4m n SER 369 Cb 0.31 -1.55 0.13 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 0.80 0.96 -0.86 6.66 2.02 -1.91 -1.25 112.91 119.33 3k4m h THR 370 Ca -0.51 -0.27 0.08 0.00 0.77 0.00 0.00 66.41 66.49 3k4m h THR 370 Cb 1.33 0.12 -0.07 0.00 -1.74 0.00 0.00 68.15 67.79 3k4m h THR 370 CO 0.54 0.14 0.52 -0.08 0.37 0.00 0.00 175.52 177.02 3k4m h GLU 371 N 0.77 0.89 0.11 6.66 4.81 -1.97 0.13 114.58 125.98 3k4m h GLU 371 Ca 0.35 -0.05 -0.27 0.00 -0.13 0.00 0.00 59.36 59.26 3k4m h GLU 371 Cb 0.25 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.43 3k4m h GLU 371 CO -0.21 0.59 -1.18 -0.07 -0.73 0.00 0.00 179.01 177.41 3k4m h LEU 372 N 0.92 0.49 -0.16 1.64 3.38 -1.69 -1.16 115.31 118.73 3k4m h LEU 372 Ca 0.40 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3k4m h LEU 372 Cb 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3k4m h LEU 372 CO -0.21 1.35 0.05 0.40 0.09 0.00 0.00 178.44 180.12 3k4m h ILE 373 N 0.12 1.19 -0.89 1.22 1.08 -0.95 -2.20 117.51 117.08 3k4m h ILE 373 Ca -0.13 -0.59 0.06 0.00 -0.39 0.00 0.00 64.86 63.82 3k4m h ILE 373 Cb 1.88 1.28 -0.06 0.00 -3.07 0.00 0.00 36.82 36.86 3k4m h ILE 373 CO 0.20 0.18 0.58 0.44 -0.69 0.00 0.00 178.15 178.86 3k4m h ASP 374 N 0.07 0.89 0.59 1.72 3.32 -0.89 -0.75 116.42 121.37 3k4m h ASP 374 Ca 0.05 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3k4m h ASP 374 Cb 0.23 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3k4m h ASP 374 CO -0.00 0.57 0.00 0.77 -1.72 0.00 0.00 179.24 178.86 3k4m h SER 375 N 1.01 0.00 -0.37 6.45 4.64 -0.59 -2.63 113.55 122.06 3k4m h SER 375 Ca 0.38 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.68 3k4m h SER 375 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3k4m h SER 375 CO -0.14 0.00 0.16 0.58 -0.87 0.00 0.00 176.83 176.56 3k4m h VAL 376 N 0.00 1.17 -0.27 0.95 2.07 -0.78 -2.81 116.25 116.58 3k4m h VAL 376 Ca 0.00 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 3k4m h VAL 376 Cb 0.30 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3k4m h VAL 376 CO 0.00 0.20 -0.04 2.29 0.02 0.00 0.00 177.57 180.04 3k4m n LYS 377 N -4.36 2.25 0.25 1.57 2.85 -1.00 -4.73 118.16 114.99 3k4m n LYS 377 Ca 0.03 -2.97 0.17 0.00 -1.05 0.00 0.00 58.31 54.49 3k4m n LYS 377 Cb 0.15 -1.79 0.83 0.00 -0.65 0.00 0.00 35.03 33.57 3k4m n LYS 377 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3k4m h SER 378 N 1.24 0.00 -0.33 -5.58 4.64 -1.47 -1.65 113.55 110.40 3k4m h SER 378 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3k4m h SER 378 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 3k4m h SER 378 CO 0.27 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.70 3k4m n ASP 379 N -2.76 3.09 -4.83 4.97 8.00 -1.26 -4.95 116.55 118.81 3k4m n ASP 379 Ca -0.01 -1.94 -0.36 0.00 0.71 0.00 0.00 54.79 53.19 3k4m n ASP 379 Cb 0.15 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.57 4.04 -0.23 -1.24 -1.94 -0.62 -4.45 119.30 113.29 3k4m s MET 380 Ca 0.37 0.57 -0.07 0.00 -1.71 0.00 0.00 55.69 54.85 3k4m s MET 380 Cb 0.22 -2.99 -0.03 0.00 2.01 0.00 0.00 34.83 34.04 3k4m s MET 380 CO 0.31 0.51 0.06 0.99 -0.01 0.00 0.00 175.02 176.87 3k4m s THR 381 N -1.40 4.31 -0.25 2.05 2.01 0.45 -4.93 115.64 117.88 3k4m s THR 381 Ca 0.36 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.19 3k4m s THR 381 Cb -0.16 -3.00 0.04 0.00 0.01 0.00 0.00 72.50 69.39 3k4m s THR 381 CO 0.19 0.37 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.77 3k4m s ILE 382 N 1.36 2.56 0.13 1.82 1.01 -1.26 -1.83 121.20 124.98 3k4m s ILE 382 Ca 0.05 -1.27 0.09 0.00 0.00 0.00 0.00 60.65 59.52 3k4m s ILE 382 Cb -0.15 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 3k4m s ILE 382 CO 0.03 0.12 -0.18 -0.13 0.00 0.00 0.00 174.94 174.78 3k4m s ARG 383 N 1.24 1.77 0.73 2.79 0.52 -0.77 -5.02 118.95 120.20 3k4m s ARG 383 Ca -0.03 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 53.96 3k4m s ARG 383 Cb -0.18 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.20 3k4m s ARG 383 CO -0.05 0.47 0.00 0.41 0.02 0.00 0.00 175.30 176.15 3k4m n GLY 384 N 0.70 -2.13 3.19 -3.53 0.00 -1.26 -2.01 105.19 100.15 3k4m n GLY 384 Ca -0.15 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 3k4m n GLY 384 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k4m s THR 385 N -0.31 1.80 -0.43 2.61 -4.23 -1.26 -4.91 115.64 108.90 3k4m s THR 385 Ca 0.00 -0.89 -0.44 0.00 -1.18 0.00 0.00 61.69 59.17 3k4m s THR 385 Cb 0.00 -1.55 -0.18 0.00 1.34 0.00 0.00 72.50 72.10 3k4m s THR 385 CO 0.00 0.50 1.72 -2.65 -0.54 0.00 0.00 174.62 173.65 3k4m n PRO 386 N 3.35 0.37 0.00 3.99 -0.02 -1.26 -1.82 135.00 139.61 3k4m n PRO 386 Ca -0.19 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3k4m n PRO 386 Cb 0.53 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 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 4.49 3.28 3.49 -1.23 0.00 -1.26 -4.94 105.19 109.01 3k4m n GLY 387 Ca 0.32 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 3k4m n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k4m n GLU 388 N 0.00 -0.33 0.05 1.61 1.02 -0.75 -4.84 120.64 117.40 3k4m n GLU 388 Ca 0.00 -0.05 0.08 0.00 -0.02 0.00 0.00 57.16 57.17 3k4m n GLU 388 Cb 0.00 -2.00 0.35 0.00 -0.02 0.00 0.00 31.44 29.76 3k4m n GLU 388 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3k4m n LEU 389 N -2.13 0.23 -0.74 -4.62 4.32 -1.26 -2.98 117.00 109.83 3k4m n LEU 389 Ca 0.08 0.56 0.04 0.00 -0.02 0.00 0.00 56.01 56.68 3k4m n LEU 389 Cb 0.53 -0.54 0.20 0.00 -1.62 0.00 0.00 43.42 41.99 3k4m n LEU 389 CO 0.50 -0.40 0.60 0.35 -1.22 0.00 0.00 177.39 177.22 3k4m n THR 390 N -1.76 2.27 -2.09 -5.08 -2.24 -1.26 -4.99 114.28 99.13 3k4m n THR 390 Ca 0.02 -2.53 -0.42 0.00 -2.27 0.00 0.00 64.05 58.85 3k4m n THR 390 Cb 0.16 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 3k4m n THR 390 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3k4m s TYR 391 N -3.06 2.73 -0.07 4.78 5.04 -1.16 -4.26 117.35 121.35 3k4m s TYR 391 Ca 0.40 0.63 0.03 0.00 -2.44 0.00 0.00 57.07 55.69 3k4m s TYR 391 Cb 0.35 -3.79 0.00 0.00 0.35 0.00 0.00 41.96 38.88 3k4m s TYR 391 CO 0.01 -3.03 -0.18 0.45 -1.34 0.00 0.00 175.55 171.47 3k4m s SER 392 N 1.98 2.38 -0.15 4.32 0.15 -0.85 -5.03 113.70 116.49 3k4m s SER 392 Ca 0.68 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.92 3k4m s SER 392 Cb -0.36 -1.01 0.03 0.00 -1.71 0.00 0.00 66.02 62.97 3k4m s SER 392 CO 0.29 0.11 -0.13 -0.69 1.20 0.00 0.00 173.24 174.02 3k4m s VAL 393 N 0.41 1.56 0.07 4.45 1.01 -1.26 -1.85 120.40 124.80 3k4m s VAL 393 Ca -0.14 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 3k4m s VAL 393 Cb -0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 3k4m s VAL 393 CO 0.05 0.41 0.11 0.42 0.00 0.00 0.00 175.10 176.10 3k4m s THR 394 N 1.48 0.16 0.24 3.92 -4.23 -0.76 -4.95 115.64 111.51 3k4m s THR 394 Ca 0.04 -1.34 -0.06 0.00 -1.18 0.00 0.00 61.69 59.15 3k4m s THR 394 Cb -0.13 -1.31 -0.02 0.00 1.34 0.00 0.00 72.50 72.38 3k4m s THR 394 CO -0.10 -0.74 0.33 -0.72 -0.54 0.00 0.00 174.62 172.85 3k4m s TYR 395 N -3.65 0.83 -0.34 3.99 1.13 -1.26 0.17 117.35 118.21 3k4m s TYR 395 Ca 0.04 -1.10 -0.04 0.00 -1.41 0.00 0.00 57.07 54.56 3k4m s TYR 395 Cb 0.05 -0.18 0.06 0.00 -1.10 0.00 0.00 41.96 40.79 3k4m s TYR 395 CO -0.10 -0.87 0.09 0.99 -2.51 0.00 0.00 175.55 173.16 3k4m s THR 396 N -3.92 3.37 0.16 -3.49 2.01 -1.26 -5.03 115.64 107.47 3k4m s THR 396 Ca 0.31 -1.46 -0.34 0.00 0.31 0.00 0.00 61.69 60.51 3k4m s THR 396 Cb 0.03 -3.02 -0.15 0.00 0.01 0.00 0.00 72.50 69.37 3k4m s THR 396 CO 0.12 -0.28 1.38 -2.65 -0.69 0.00 0.00 174.62 172.50 3k4m n PRO 397 N 4.69 1.62 -0.93 4.92 -0.02 -1.26 -2.32 135.00 141.70 3k4m n PRO 397 Ca -0.10 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3k4m n PRO 397 Cb 0.43 -2.23 0.00 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 2.58 0.83 3.73 -1.23 0.00 -1.26 -5.00 105.19 104.84 3k4m n GLY 398 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3k4m n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m n ALA 399 N 1.00 2.11 0.28 4.61 0.00 -0.98 -4.88 120.51 122.65 3k4m n ALA 399 Ca 0.00 0.38 0.13 0.00 0.00 0.00 0.00 53.44 53.95 3k4m n ALA 399 Cb 0.00 -2.40 0.80 0.00 0.00 0.00 0.00 19.45 17.85 3k4m n ALA 399 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k4m h SER 400 N 4.40 0.00 -0.21 0.00 4.64 -1.94 -2.52 113.55 117.92 3k4m h SER 400 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3k4m h SER 400 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3k4m h SER 400 CO 0.76 0.07 0.00 0.35 -0.87 0.00 0.00 176.83 177.14 3k4m n THR 401 N -3.79 0.27 -2.13 2.95 -2.24 -1.26 -4.85 114.28 103.24 3k4m n THR 401 Ca -0.02 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 3k4m n THR 401 Cb 0.17 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 3k4m n THR 401 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3k4m s ASN 402 N -1.52 6.79 0.19 3.42 -0.87 -0.95 -4.93 114.94 117.08 3k4m s ASN 402 Ca 0.33 2.42 0.14 0.00 -1.57 0.00 0.00 52.86 54.18 3k4m s ASN 402 Cb 0.18 -2.60 -0.04 0.00 -0.02 0.00 0.00 41.25 38.78 3k4m s ASN 402 CO 0.26 -0.65 1.26 0.11 -2.57 0.00 0.00 177.10 175.51 3k4m h LYS 403 N 6.24 0.00 -6.50 -0.60 1.79 -1.90 -3.46 116.57 112.14 3k4m h LYS 403 Ca -0.43 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.40 3k4m h LYS 403 Cb 1.21 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.70 3k4m h LYS 403 CO 0.84 0.54 -0.78 -1.01 -1.08 0.00 0.00 179.45 177.96 3k4m s HIS 404 N -2.90 2.41 0.96 -1.35 3.76 -1.26 -5.13 115.29 111.79 3k4m s HIS 404 Ca 0.02 -0.31 -0.12 0.00 -0.15 0.00 0.00 55.06 54.50 3k4m s HIS 404 Cb 0.08 -1.17 0.17 0.00 1.11 0.00 0.00 32.58 32.77 3k4m s HIS 404 CO 0.77 0.53 1.09 -2.14 -0.85 0.00 0.00 174.74 174.15 3k4m s PRO 405 N -2.85 0.71 0.20 8.40 0.02 -1.26 -4.84 135.00 135.37 3k4m s PRO 405 Ca 0.23 0.77 -0.10 0.00 0.02 0.00 0.00 61.00 61.93 3k4m s PRO 405 Cb -0.08 -1.75 0.13 0.00 0.02 0.00 0.00 34.50 32.82 3k4m s PRO 405 CO 0.12 -2.61 1.79 -0.44 -0.33 0.00 0.00 177.00 175.54 3k4m h ASP 406 N -1.81 0.91 -0.04 2.53 3.32 -1.99 -2.29 116.42 117.04 3k4m h ASP 406 Ca -0.52 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.42 3k4m h ASP 406 Cb 1.30 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 3k4m h ASP 406 CO 0.54 0.78 0.03 4.11 -1.72 0.00 0.00 179.24 182.98 3k4m h TRP 407 N 0.98 0.00 0.03 4.55 5.08 -1.99 -0.15 115.95 124.45 3k4m h TRP 407 Ca 0.25 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 60.07 3k4m h TRP 407 Cb 0.09 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.26 3k4m h TRP 407 CO 0.00 0.00 -0.57 2.35 -1.28 0.00 0.00 178.44 178.95 3k4m h TRP 408 N 0.00 0.51 -0.09 0.12 2.91 -1.80 -2.74 115.95 114.86 3k4m h TRP 408 Ca 0.02 -0.30 -0.16 0.00 1.13 0.00 0.00 58.89 59.58 3k4m h TRP 408 Cb 0.08 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.67 3k4m h TRP 408 CO 0.00 1.14 -0.62 -0.91 -1.03 0.00 0.00 178.44 177.02 3k4m h ASN 409 N -0.26 0.38 -0.29 2.65 2.35 -0.86 -1.98 115.58 117.58 3k4m h ASN 409 Ca -0.08 -0.22 -0.10 0.00 -0.55 0.00 0.00 56.30 55.35 3k4m h ASN 409 Cb 1.32 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 3k4m h ASN 409 CO 0.11 0.90 -0.16 -0.08 -1.65 0.00 0.00 177.43 176.55 3k4m h GLU 410 N 0.24 0.73 -0.48 0.81 4.57 -1.09 -0.13 114.58 119.23 3k4m h GLU 410 Ca -0.01 -0.26 -0.11 0.00 -1.18 0.00 0.00 59.36 57.80 3k4m h GLU 410 Cb 1.14 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 3k4m h GLU 410 CO 0.10 0.85 -0.15 0.87 -1.18 0.00 0.00 179.01 179.50 3k4m h LYS 411 N 0.65 0.93 -0.34 1.92 1.57 -1.16 -2.40 116.57 117.74 3k4m h LYS 411 Ca 0.10 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 3k4m h LYS 411 Cb 0.64 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3k4m h LYS 411 CO 0.04 1.01 0.08 0.28 -0.57 0.00 0.00 179.45 180.30 3k4m h VAL 412 N 0.82 1.22 -0.07 0.50 2.07 -1.03 -1.93 116.25 117.83 3k4m h VAL 412 Ca 0.12 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 3k4m h VAL 412 Cb 0.70 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3k4m h VAL 412 CO 0.05 0.26 0.01 0.50 0.02 0.00 0.00 177.57 178.41 3k4m h LYS 413 N 0.40 0.11 -0.40 1.57 3.64 -0.99 -1.45 116.57 119.46 3k4m h LYS 413 Ca 0.11 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3k4m h LYS 413 Cb 0.30 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3k4m h LYS 413 CO 0.00 0.35 0.18 -0.91 -2.27 0.00 0.00 179.45 176.81 3k4m h ASN 414 N -0.14 0.49 0.11 4.20 2.35 -1.42 -0.97 115.58 120.20 3k4m h ASN 414 Ca 0.02 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3k4m h ASN 414 Cb 0.30 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3k4m h ASN 414 CO 0.00 0.43 -0.05 -0.74 -1.65 0.00 0.00 177.43 175.42 3k4m h HIS 415 N 0.56 -0.14 -0.20 1.19 -0.00 -0.81 -1.44 115.15 114.31 3k4m h HIS 415 Ca 0.14 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 3k4m h HIS 415 Cb 0.07 0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 3k4m h HIS 415 CO 0.00 0.22 0.12 0.52 -0.00 0.00 0.00 177.93 178.79 3k4m h MET 416 N -0.52 0.27 0.18 5.26 2.86 -0.94 0.36 114.93 122.39 3k4m h MET 416 Ca -0.02 -0.02 -0.34 0.00 -2.06 0.00 0.00 59.70 57.27 3k4m h MET 416 Cb 0.42 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.03 3k4m h MET 416 CO 0.03 0.19 -1.67 0.52 1.06 0.00 0.00 176.91 177.04 3k4m h MET 417 N 0.27 0.38 0.00 1.72 2.07 -1.12 -3.31 114.93 114.95 3k4m h MET 417 Ca 0.07 -0.66 -0.03 0.00 -2.07 0.00 0.00 59.70 57.02 3k4m h MET 417 Cb -0.00 0.24 -0.00 0.00 -1.87 0.00 0.00 31.60 29.97 3k4m h MET 417 CO -0.01 1.31 -0.13 1.96 1.07 0.00 0.00 176.91 181.11 3k4m h GLN 418 N 0.04 0.00 -2.13 1.72 4.20 -1.11 -3.39 115.11 114.44 3k4m h GLN 418 Ca -0.33 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 57.80 3k4m h GLN 418 Cb 2.05 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 29.42 3k4m h GLN 418 CO 0.17 0.13 -0.81 0.72 -0.67 0.00 0.00 178.83 178.36 3k4m n HIS 419 N -3.14 1.88 0.29 2.96 8.25 0.13 -4.92 115.22 120.67 3k4m n HIS 419 Ca 0.03 -3.90 0.19 0.00 -0.26 0.00 0.00 57.72 53.78 3k4m n HIS 419 Cb 0.55 -0.46 0.83 0.00 1.12 0.00 0.00 29.99 32.03 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 4.15 0.00 0.00 -0.41 4.20 -1.76 -0.13 115.11 121.16 3k4m h GLN 420 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3k4m h GLN 420 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 3k4m h GLN 420 CO 0.67 0.01 0.00 -0.85 -0.67 0.00 0.00 178.83 177.99 3k4m n GLU 421 N -3.11 0.12 -3.17 1.46 0.00 -1.26 -4.70 120.64 109.99 3k4m n GLU 421 Ca -0.00 0.21 -0.40 0.00 0.00 0.00 0.00 57.16 56.97 3k4m n GLU 421 Cb 0.24 -1.68 -0.06 0.00 0.00 0.00 0.00 31.44 29.95 3k4m n GLU 421 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3k4m s ASP 422 N -3.75 6.64 0.00 -1.84 2.15 -0.06 -4.96 116.67 114.85 3k4m s ASP 422 Ca 0.09 0.78 0.30 0.00 0.43 0.00 0.00 52.55 54.15 3k4m s ASP 422 Cb 0.13 -2.33 1.72 0.00 -0.30 0.00 0.00 42.92 42.14 3k4m s ASP 422 CO 0.47 -0.23 2.09 -0.81 -0.17 0.00 0.00 175.17 176.52 3k4m n PRO 423 N 4.89 0.82 -4.31 4.34 -0.04 -1.26 -4.83 135.00 134.61 3k4m n PRO 423 Ca -0.03 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.15 3k4m n PRO 423 Cb 0.50 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 3k4m n PRO 423 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k4m s LEU 424 N -2.12 2.76 0.00 1.53 1.43 -1.26 -5.04 118.68 115.98 3k4m s LEU 424 Ca 0.41 -0.58 0.27 0.00 -1.03 0.00 0.00 54.13 53.20 3k4m s LEU 424 Cb 0.20 -1.56 0.84 0.00 0.03 0.00 0.00 46.19 45.70 3k4m s LEU 424 CO 0.37 0.16 1.62 -0.81 0.23 0.00 0.00 176.35 177.91 3k4m n PRO 425 N 0.56 1.29 -3.27 1.29 -0.04 -1.26 -4.81 135.00 128.76 3k4m n PRO 425 Ca -0.14 -0.78 -0.38 0.00 -0.04 0.00 0.00 63.50 62.15 3k4m n PRO 425 Cb 0.54 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.25 5.16 0.62 0.52 1.01 -1.26 -4.64 121.20 120.35 3k4m s ILE 426 Ca 0.30 1.02 -0.18 0.00 0.00 0.00 0.00 60.65 61.80 3k4m s ILE 426 Cb 0.20 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 3k4m s ILE 426 CO 0.43 0.29 0.95 -2.65 0.00 0.00 0.00 174.94 173.96 3k4m n PRO 427 N 3.85 0.82 -0.36 2.79 -0.02 -1.26 -4.90 135.00 135.92 3k4m n PRO 427 Ca -0.06 0.32 0.04 0.00 -2.02 0.00 0.00 63.50 61.78 3k4m n PRO 427 Cb 0.51 -2.17 0.20 0.00 -0.02 0.00 0.00 33.50 32.03 3k4m n PRO 427 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3k4m h PHE 428 N 0.35 1.16 -0.56 6.00 0.04 -1.98 -2.60 116.94 119.36 3k4m h PHE 428 Ca -0.48 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.32 3k4m h PHE 428 Cb 1.36 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 39.13 3k4m h PHE 428 CO 0.37 0.58 0.00 0.39 -0.60 0.00 0.00 178.31 179.05 3k4m n GLU 429 N -4.52 2.73 -1.70 1.51 1.02 -1.26 -4.93 120.64 113.49 3k4m n GLU 429 Ca 0.16 -2.19 -0.43 0.00 -0.02 0.00 0.00 57.16 54.68 3k4m n GLU 429 Cb 0.22 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 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 1.06 3.72 -4.55 1.62 2.03 -0.98 -4.93 116.55 114.52 3k4m n ASP 430 Ca 0.20 1.05 -0.29 0.00 0.52 0.00 0.00 54.79 56.28 3k4m n ASP 430 Cb 0.60 -1.52 0.18 0.00 -0.72 0.00 0.00 41.12 39.67 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 1.40 0.20 0.53 -0.67 0.02 -1.26 -4.97 135.00 130.25 3k4m s PRO 431 Ca 0.78 0.35 -0.17 0.00 0.02 0.00 0.00 61.00 61.98 3k4m s PRO 431 Cb -0.56 -1.73 -0.07 0.00 0.02 0.00 0.00 34.50 32.17 3k4m s PRO 431 CO 0.35 -2.85 1.00 -1.83 -0.33 0.00 0.00 177.00 173.35 3k4m s GLU 432 N -5.10 3.80 0.66 5.54 1.03 -1.26 -4.48 118.70 118.90 3k4m s GLU 432 Ca 0.66 1.04 -0.14 0.00 0.03 0.00 0.00 54.97 56.56 3k4m s GLU 432 Cb -0.16 -2.11 -0.00 0.00 -0.80 0.00 0.00 34.13 31.05 3k4m s GLU 432 CO 0.57 -0.40 1.08 -1.25 -1.33 0.00 0.00 175.26 173.93 3k4m s PRO 433 N -4.00 2.90 -0.44 -4.83 0.04 -1.26 -4.59 135.00 122.82 3k4m s PRO 433 Ca 0.60 1.24 0.07 0.00 0.04 0.00 0.00 61.00 62.96 3k4m s PRO 433 Cb -0.12 -1.97 0.26 0.00 0.04 0.00 0.00 34.50 32.71 3k4m s PRO 433 CO 0.31 -1.15 0.73 1.04 0.04 0.00 0.00 177.00 177.98 3k4m n GLN 434 N -2.56 0.78 -4.48 4.56 1.13 -1.24 -2.94 117.38 112.63 3k4m n GLN 434 Ca 0.09 -2.51 -0.32 0.00 -1.94 0.00 0.00 57.00 52.33 3k4m n GLN 434 Cb 0.53 -1.34 -0.11 0.00 0.11 0.00 0.00 30.24 29.42 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 -0.36 3.44 -0.02 5.09 1.01 -0.11 -0.63 120.40 128.83 3k4m s VAL 435 Ca 0.33 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 3k4m s VAL 435 Cb 0.22 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 34.12 3k4m s VAL 435 CO -0.16 0.36 0.31 0.28 0.00 0.00 0.00 175.10 175.88 3k4m s THR 436 N -1.00 0.06 -0.25 3.92 -1.32 -0.25 -0.70 115.64 116.09 3k4m s THR 436 Ca 0.17 -0.46 -0.07 0.00 -1.21 0.00 0.00 61.69 60.11 3k4m s THR 436 Cb -0.11 -0.60 -0.02 0.00 -1.51 0.00 0.00 72.50 70.25 3k4m s THR 436 CO 0.08 -0.25 0.07 0.28 -2.21 0.00 0.00 174.62 172.58 3k4m s THR 437 N -1.28 4.23 0.62 5.08 -1.32 -1.26 -0.82 115.64 120.89 3k4m s THR 437 Ca -0.13 -0.25 -0.15 0.00 -1.21 0.00 0.00 61.69 59.95 3k4m s THR 437 Cb -0.05 -3.00 -0.02 0.00 -1.51 0.00 0.00 72.50 67.92 3k4m s THR 437 CO 0.04 0.31 1.08 -0.76 -2.21 0.00 0.00 174.62 173.08 3k4m s LEU 438 N 1.60 3.44 -0.16 9.08 1.43 -1.26 -3.91 118.68 128.89 3k4m s LEU 438 Ca 0.06 1.87 -0.34 0.00 -1.03 0.00 0.00 54.13 54.69 3k4m s LEU 438 Cb -0.15 -4.54 -0.16 0.00 0.03 0.00 0.00 46.19 41.37 3k4m s LEU 438 CO 0.03 -1.34 1.01 0.33 0.23 0.00 0.00 176.35 176.61 3k4m n PHE 439 N -2.22 0.86 -4.05 0.29 -0.00 -1.21 -4.97 117.46 106.16 3k4m n PHE 439 Ca 0.09 0.86 -0.07 0.00 -0.00 0.00 0.00 57.45 58.33 3k4m n PHE 439 Cb 0.53 -1.68 -0.09 0.00 -0.00 0.00 0.00 39.48 38.23 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 0.97 0.67 0.53 -4.13 -1.52 -0.98 -4.92 119.66 110.28 3k4m s GLN 440 Ca 0.76 -1.18 0.20 0.00 -1.95 0.00 0.00 55.36 53.18 3k4m s GLN 440 Cb -1.07 0.24 1.38 0.00 -0.22 0.00 0.00 33.01 33.34 3k4m s GLN 440 CO 0.53 -0.15 2.14 -1.35 -0.25 0.00 0.00 175.29 176.21 3k4m h PRO 441 N 3.06 0.00 -0.00 2.91 0.11 -1.98 -0.34 132.00 135.75 3k4m h PRO 441 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3k4m h PRO 441 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3k4m h PRO 441 CO 0.64 0.00 -0.45 -1.13 -0.21 0.00 0.00 178.00 176.85 3k4m n SER 442 N -4.38 0.68 -3.35 -2.05 3.41 -1.26 -4.27 113.62 102.40 3k4m n SER 442 Ca -0.01 -0.47 -0.26 0.00 -0.26 0.00 0.00 58.87 57.87 3k4m n SER 442 Cb 0.17 0.25 -0.09 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.25 -1.00 -1.55 7.33 1.44 -0.23 -5.03 115.22 114.94 3k4m n HIS 443 Ca 0.07 -3.26 -0.39 0.00 -2.01 0.00 0.00 57.72 52.14 3k4m n HIS 443 Cb 0.34 0.25 -0.02 0.00 0.12 0.00 0.00 29.99 30.68 3k4m n HIS 443 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3k4m n PRO 444 N 2.69 3.99 -3.93 -1.40 -0.04 -0.68 -2.33 135.00 133.31 3k4m n PRO 444 Ca 0.29 -2.64 -0.09 0.00 -0.04 0.00 0.00 63.50 61.02 3k4m n PRO 444 Cb 0.49 -2.72 -0.09 0.00 -0.04 0.00 0.00 33.50 31.14 3k4m n PRO 444 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3k4m s TRP 445 N 0.91 0.21 0.47 0.54 -2.14 -1.26 -4.39 118.94 113.28 3k4m s TRP 445 Ca 0.64 -0.52 -0.16 0.00 2.66 0.00 0.00 56.10 58.73 3k4m s TRP 445 Cb 0.19 -0.14 -0.08 0.00 -3.10 0.00 0.00 33.47 30.33 3k4m s TRP 445 CO -0.07 -0.37 0.92 -1.58 -2.66 0.00 0.00 176.95 173.18 3k4m s HIS 446 N -2.70 3.44 0.01 1.66 5.65 -0.25 -3.34 115.29 119.76 3k4m s HIS 446 Ca -0.04 1.37 0.00 0.00 0.25 0.00 0.00 55.06 56.64 3k4m s HIS 446 Cb -0.01 -2.70 -0.01 0.00 -1.18 0.00 0.00 32.58 28.68 3k4m s HIS 446 CO -0.05 -0.25 -0.02 0.95 -0.65 0.00 0.00 174.74 174.72 3k4m s THR 447 N -2.48 0.12 -0.04 0.89 -4.23 -1.25 -1.12 115.64 107.52 3k4m s THR 447 Ca 0.57 -0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.64 3k4m s THR 447 Cb -0.10 -0.18 0.03 0.00 1.34 0.00 0.00 72.50 73.60 3k4m s THR 447 CO 0.28 -0.19 0.07 -1.10 -0.54 0.00 0.00 174.62 173.15 3k4m s GLN 448 N -0.64 -0.04 -0.37 3.99 -0.21 -0.37 -4.41 119.66 117.60 3k4m s GLN 448 Ca -0.06 0.36 0.01 0.00 0.02 0.00 0.00 55.36 55.69 3k4m s GLN 448 Cb -0.04 -0.38 0.12 0.00 1.00 0.00 0.00 33.01 33.70 3k4m s GLN 448 CO -0.00 -0.27 0.15 0.42 -2.12 0.00 0.00 175.29 173.47 3k4m s ILE 449 N 1.84 1.33 0.00 1.08 1.01 0.12 -1.24 121.20 125.34 3k4m s ILE 449 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 60.65 58.59 3k4m s ILE 449 Cb -0.12 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.38 3k4m s ILE 449 CO -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 174.94 174.14 3k4m n HIS 450 N 4.18 -0.51 -3.75 3.97 1.44 -0.61 -0.93 115.22 119.02 3k4m n HIS 450 Ca 0.03 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.54 3k4m n HIS 450 Cb 0.39 0.00 -0.18 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 -0.77 0.25 0.16 -1.40 1.81 -1.15 -0.12 118.95 117.74 3k4m s ARG 451 Ca 0.00 0.22 0.09 0.00 -1.72 0.00 0.00 55.73 54.33 3k4m s ARG 451 Cb 0.00 -0.69 -0.04 0.00 -0.45 0.00 0.00 34.95 33.77 3k4m s ARG 451 CO 0.00 -0.29 -0.14 0.34 -0.68 0.00 0.00 175.30 174.53 3k4m s ASP 452 N 1.91 4.03 0.32 0.23 -1.08 -1.26 -4.95 116.67 115.87 3k4m s ASP 452 Ca 0.03 -0.60 -0.29 0.00 -0.52 0.00 0.00 52.55 51.17 3k4m s ASP 452 Cb -0.12 -0.61 -0.12 0.00 -1.46 0.00 0.00 42.92 40.61 3k4m s ASP 452 CO -0.04 0.13 1.36 0.00 0.52 0.00 0.00 175.17 177.15 3k4m n ALA 453 N 0.34 1.47 -2.92 3.66 0.00 -1.26 -4.97 120.51 116.83 3k4m n ALA 453 Ca -0.13 0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.58 3k4m n ALA 453 Cb 0.54 -2.29 -0.12 0.00 0.00 0.00 0.00 19.45 17.58 3k4m n ALA 453 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3k4m s PHE 454 N -0.79 0.16 -0.25 0.00 5.36 -1.26 -4.82 117.98 116.38 3k4m s PHE 454 Ca 0.59 -0.27 -0.12 0.00 -0.96 0.00 0.00 56.93 56.17 3k4m s PHE 454 Cb -0.57 -0.11 -0.05 0.00 -0.34 0.00 0.00 43.02 41.95 3k4m s PHE 454 CO 0.59 -0.09 0.21 -1.54 -1.46 0.00 0.00 175.22 172.92 3k4m s SER 455 N -0.75 6.14 -0.03 6.13 1.04 -1.26 -4.71 113.70 120.26 3k4m s SER 455 Ca -0.08 0.14 -0.21 0.00 0.48 0.00 0.00 55.95 56.28 3k4m s SER 455 Cb -0.05 -2.13 -0.05 0.00 0.10 0.00 0.00 66.02 63.89 3k4m s SER 455 CO -0.00 0.00 0.61 0.26 0.98 0.00 0.00 173.24 175.09 3k4m s TRP 456 N 1.33 3.64 0.64 5.02 0.52 -1.26 -5.06 118.94 123.77 3k4m s TRP 456 Ca 0.09 1.18 -0.16 0.00 0.02 0.00 0.00 56.10 57.24 3k4m s TRP 456 Cb -0.14 -2.65 -0.01 0.00 -1.15 0.00 0.00 33.47 29.52 3k4m s TRP 456 CO 0.07 0.27 1.11 0.20 0.02 0.00 0.00 176.95 178.62 3k4m s GLY 457 N 0.11 2.20 0.07 0.98 0.00 -1.26 -4.82 107.32 104.61 3k4m s GLY 457 Ca 0.32 0.56 -0.14 0.00 0.00 0.00 0.00 44.72 45.45 3k4m s GLY 457 CO 0.17 0.90 0.78 0.00 0.00 0.00 0.00 173.10 174.95 3k4m n ALA 458 N -2.25 -0.30 0.83 3.20 0.00 -1.26 -1.13 120.51 119.60 3k4m n ALA 458 Ca 0.10 0.40 0.13 0.00 0.00 0.00 0.00 53.44 54.07 3k4m n ALA 458 Cb 0.52 -0.03 0.35 0.00 0.00 0.00 0.00 19.45 20.29 3k4m n ALA 458 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3k4m n VAL 459 N -4.41 0.18 0.05 0.00 0.31 -1.26 -1.98 118.33 111.23 3k4m n VAL 459 Ca 0.01 -0.12 -0.12 0.00 -0.01 0.00 0.00 64.34 64.10 3k4m n VAL 459 Cb 0.12 -0.17 -0.14 0.00 -0.91 0.00 0.00 33.84 32.74 3k4m n VAL 459 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3k4m h GLN 460 N 0.00 0.14 0.00 5.55 4.20 -1.44 -3.15 115.11 120.41 3k4m h GLN 460 Ca 0.00 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3k4m h GLN 460 Cb 0.60 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3k4m h GLN 460 CO 0.00 0.99 0.08 1.04 -0.67 0.00 0.00 178.83 180.26 3k4m n GLN 461 N -3.36 0.03 0.25 1.46 6.02 -0.77 -0.79 117.38 120.21 3k4m n GLN 461 Ca -0.11 0.48 0.14 0.00 -0.01 0.00 0.00 57.00 57.50 3k4m n GLN 461 Cb 1.01 -1.69 0.52 0.00 1.02 0.00 0.00 30.24 31.10 3k4m n GLN 461 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3k4m h SER 462 N 0.00 0.00 -3.43 1.08 0.87 -1.61 -3.44 113.55 107.03 3k4m h SER 462 Ca 0.00 0.00 -0.61 0.00 -1.23 0.00 0.00 61.79 59.95 3k4m h SER 462 Cb 0.16 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 61.99 3k4m h SER 462 CO 0.00 0.09 -0.41 -0.63 -0.53 0.00 0.00 176.83 175.36 3k4m s ILE 463 N -3.58 5.33 0.05 2.23 -1.09 0.03 -5.02 121.20 119.15 3k4m s ILE 463 Ca 0.02 0.36 -0.34 0.00 -2.23 0.00 0.00 60.65 58.45 3k4m s ILE 463 Cb 0.09 -3.56 -0.13 0.00 -1.58 0.00 0.00 42.46 37.27 3k4m s ILE 463 CO 0.60 0.36 1.68 -0.67 -1.23 0.00 0.00 174.94 175.67 3k4m n ASP 464 N 3.99 3.10 0.16 3.58 -0.08 -1.26 -4.80 116.55 121.24 3k4m n ASP 464 Ca -0.13 1.05 0.13 0.00 -1.51 0.00 0.00 54.79 54.32 3k4m n ASP 464 Cb 0.52 -1.38 0.57 0.00 2.34 0.00 0.00 41.12 43.17 3k4m n ASP 464 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3k4m h SER 465 N 7.04 0.00 0.58 1.67 4.64 -1.92 -2.19 113.55 123.38 3k4m h SER 465 Ca -0.46 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 3k4m h SER 465 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3k4m h SER 465 CO 0.90 0.00 -0.08 0.03 -0.87 0.00 0.00 176.83 176.81 3k4m h ARG 466 N 0.00 0.00 0.00 4.77 3.08 -1.98 -2.49 114.38 117.75 3k4m h ARG 466 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k4m h ARG 466 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3k4m h ARG 466 CO 0.00 0.08 -0.24 1.28 -1.07 0.00 0.00 179.97 180.02 3k4m n LEU 467 N -3.35 0.63 -4.75 3.04 4.77 -0.82 -4.92 117.00 111.59 3k4m n LEU 467 Ca -0.01 0.41 -0.36 0.00 -0.03 0.00 0.00 56.01 56.01 3k4m n LEU 467 Cb 0.26 -0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 3k4m n LEU 467 CO 0.28 -0.09 -0.05 -0.63 -1.33 0.00 0.00 177.39 175.57 3k4m s ILE 468 N -3.10 5.32 -0.05 -0.08 1.01 -0.94 0.60 121.20 123.97 3k4m s ILE 468 Ca 0.10 0.47 0.02 0.00 0.00 0.00 0.00 60.65 61.24 3k4m s ILE 468 Cb 0.14 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 39.04 3k4m s ILE 468 CO 0.63 0.44 -0.09 -0.69 0.00 0.00 0.00 174.94 175.24 3k4m s VAL 469 N 0.14 0.83 0.23 2.92 1.01 -0.86 -4.93 120.40 119.75 3k4m s VAL 469 Ca 0.15 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 3k4m s VAL 469 Cb -0.13 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.39 3k4m s VAL 469 CO 0.04 0.28 0.75 -1.81 0.00 0.00 0.00 175.10 174.35 3k4m s ASP 470 N 0.63 7.08 -0.11 3.32 1.01 0.84 0.06 116.67 129.49 3k4m s ASP 470 Ca -0.11 1.46 0.02 0.00 0.71 0.00 0.00 52.55 54.63 3k4m s ASP 470 Cb -0.14 -2.43 0.01 0.00 1.01 0.00 0.00 42.92 41.37 3k4m s ASP 470 CO 0.02 0.02 -0.19 0.26 0.21 0.00 0.00 175.17 175.49 3k4m s TRP 471 N -1.54 2.24 -0.10 4.23 0.52 0.16 -1.57 118.94 122.88 3k4m s TRP 471 Ca 0.44 -1.03 -0.01 0.00 0.02 0.00 0.00 56.10 55.52 3k4m s TRP 471 Cb -0.17 -1.56 0.03 0.00 -1.15 0.00 0.00 33.47 30.62 3k4m s TRP 471 CO 0.21 -0.49 -0.05 1.03 0.02 0.00 0.00 176.95 177.68 3k4m s ARG 472 N 0.78 1.19 -0.08 4.98 0.52 -0.38 -1.61 118.95 124.35 3k4m s ARG 472 Ca -0.10 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 3k4m s ARG 472 Cb -0.16 -1.41 -0.03 0.00 0.52 0.00 0.00 34.95 33.87 3k4m s ARG 472 CO 0.01 -0.30 -0.07 -0.06 0.02 0.00 0.00 175.30 174.90 3k4m s PHE 473 N 1.80 2.94 -0.18 -0.53 0.40 -0.17 -1.23 117.98 121.01 3k4m s PHE 473 Ca 0.05 -0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 3k4m s PHE 473 Cb -0.13 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 41.69 3k4m s PHE 473 CO -0.07 0.28 -0.16 -0.06 0.70 0.00 0.00 175.22 175.90 3k4m s PHE 474 N -0.66 2.57 0.32 0.36 0.40 -0.28 -1.14 117.98 119.55 3k4m s PHE 474 Ca 0.10 -1.55 -0.08 0.00 -0.60 0.00 0.00 56.93 54.80 3k4m s PHE 474 Cb -0.11 -1.78 -0.06 0.00 0.51 0.00 0.00 43.02 41.57 3k4m s PHE 474 CO 0.02 -0.76 0.63 0.20 0.70 0.00 0.00 175.22 176.01 3k4m s GLY 475 N 1.35 2.00 0.03 4.36 0.00 -0.11 -1.09 107.32 113.87 3k4m s GLY 475 Ca 0.03 -0.35 -0.11 0.00 0.00 0.00 0.00 44.72 44.30 3k4m s GLY 475 CO -0.11 -0.20 0.37 1.09 0.00 0.00 0.00 173.10 174.25 3k4m s ARG 476 N -3.46 3.77 -0.16 2.90 1.70 -1.25 -3.53 118.95 118.92 3k4m s ARG 476 Ca 0.48 0.20 0.01 0.00 -0.47 0.00 0.00 55.73 55.94 3k4m s ARG 476 Cb -0.11 -3.08 0.00 0.00 -0.57 0.00 0.00 34.95 31.19 3k4m s ARG 476 CO 0.28 0.62 -0.17 0.99 -1.08 0.00 0.00 175.30 175.94 3k4m s THR 477 N -1.27 2.48 0.24 4.99 2.01 -1.26 -4.77 115.64 118.07 3k4m s THR 477 Ca 0.28 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 3k4m s THR 477 Cb -0.15 -2.04 -0.10 0.00 0.01 0.00 0.00 72.50 70.22 3k4m s THR 477 CO 0.15 0.52 1.44 -1.61 -0.69 0.00 0.00 174.62 174.44 3k4m s GLU 478 N 0.94 4.27 -0.21 4.92 2.02 -1.26 -4.28 118.70 125.09 3k4m s GLU 478 Ca -0.03 2.30 -0.29 0.00 0.02 0.00 0.00 54.97 56.97 3k4m s GLU 478 Cb -0.15 -3.11 -0.01 0.00 0.10 0.00 0.00 34.13 30.96 3k4m s GLU 478 CO -0.03 -0.43 1.25 -1.25 0.02 0.00 0.00 175.26 174.83 3k4m s PRO 479 N -0.31 4.14 -0.02 0.39 0.04 -1.26 -4.84 135.00 133.15 3k4m s PRO 479 Ca 0.60 1.51 0.06 0.00 0.04 0.00 0.00 61.00 63.21 3k4m s PRO 479 Cb -0.42 -3.79 -0.01 0.00 0.04 0.00 0.00 34.50 30.32 3k4m s PRO 479 CO 0.43 -0.82 -0.18 0.15 0.04 0.00 0.00 177.00 176.61 3k4m s LYS 480 N 3.67 1.50 0.35 4.56 -0.14 -1.26 -4.97 119.74 123.45 3k4m s LYS 480 Ca 0.54 -0.65 0.03 0.00 -1.36 0.00 0.00 55.97 54.53 3k4m s LYS 480 Cb -0.20 -1.45 0.65 0.00 -1.68 0.00 0.00 37.83 35.16 3k4m s LYS 480 CO 0.16 0.39 1.98 1.49 -0.76 0.00 0.00 175.35 178.61 3k4m h GLU 481 N 5.71 0.83 0.00 1.68 4.22 -1.94 -1.70 114.58 123.39 3k4m h GLU 481 Ca -0.37 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.02 3k4m h GLU 481 Cb 1.15 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3k4m h GLU 481 CO 0.48 0.55 0.00 1.05 -2.18 0.00 0.00 179.01 178.91 3k4m h GLU 482 N 0.85 0.00 -6.43 1.92 9.09 -1.96 -3.34 114.58 114.71 3k4m h GLU 482 Ca 0.28 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 59.14 3k4m h GLU 482 Cb 0.07 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.09 3k4m h GLU 482 CO -0.08 0.00 0.94 -0.80 0.05 0.00 0.00 179.01 179.12 3k4m s ASN 483 N -4.60 6.38 0.02 3.06 0.01 -0.68 -4.75 114.94 114.39 3k4m s ASN 483 Ca 0.06 -0.07 0.08 0.00 -0.71 0.00 0.00 52.86 52.21 3k4m s ASN 483 Cb 0.10 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.19 3k4m s ASN 483 CO 0.48 -1.52 -0.23 -0.54 -1.51 0.00 0.00 177.10 173.78 3k4m s LYS 484 N 4.97 2.02 -0.31 -0.60 1.02 0.62 -2.26 119.74 125.21 3k4m s LYS 484 Ca 0.40 -0.99 -0.09 0.00 0.02 0.00 0.00 55.97 55.30 3k4m s LYS 484 Cb -0.08 -2.10 -0.00 0.00 -0.52 0.00 0.00 37.83 35.13 3k4m s LYS 484 CO 0.22 0.54 0.13 -1.17 -0.92 0.00 0.00 175.35 174.16 3k4m s LEU 485 N -1.12 4.02 0.39 3.17 2.96 0.88 -0.18 118.68 128.80 3k4m s LEU 485 Ca 0.12 -0.57 0.04 0.00 -0.22 0.00 0.00 54.13 53.50 3k4m s LEU 485 Cb -0.10 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 3k4m s LEU 485 CO 0.02 -0.19 0.05 -1.66 -1.32 0.00 0.00 176.35 173.25 3k4m s TRP 486 N 1.58 2.06 -0.05 5.38 1.48 0.41 -4.55 118.94 125.24 3k4m s TRP 486 Ca 0.04 -0.94 0.05 0.00 -1.06 0.00 0.00 56.10 54.19 3k4m s TRP 486 Cb -0.17 -1.43 -0.00 0.00 -1.16 0.00 0.00 33.47 30.70 3k4m s TRP 486 CO 0.05 0.10 -0.20 -0.06 -4.06 0.00 0.00 176.95 172.78 3k4m s PHE 487 N -3.08 1.98 0.50 1.66 0.08 -1.26 0.14 117.98 118.00 3k4m s PHE 487 Ca 0.30 -0.61 -0.20 0.00 0.12 0.00 0.00 56.93 56.54 3k4m s PHE 487 Cb 0.07 -1.33 -0.08 0.00 -0.57 0.00 0.00 43.02 41.11 3k4m s PHE 487 CO 0.14 -0.21 1.04 0.45 -0.10 0.00 0.00 175.22 176.54 3k4m s SER 488 N 0.05 6.27 0.00 1.36 0.15 -0.54 -0.99 113.70 120.00 3k4m s SER 488 Ca -0.06 1.93 0.23 0.00 0.70 0.00 0.00 55.95 58.76 3k4m s SER 488 Cb -0.13 -2.56 0.21 0.00 -1.71 0.00 0.00 66.02 61.83 3k4m s SER 488 CO 0.03 -0.83 1.26 -0.90 1.20 0.00 0.00 173.24 174.00 3k4m n ASP 489 N -1.06 3.02 0.03 5.45 5.68 -1.26 -4.07 116.55 124.33 3k4m n ASP 489 Ca 0.09 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 3k4m n ASP 489 Cb 0.52 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 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 1.34 0.00 -2.50 0.11 4.01 -1.26 -5.05 118.16 114.82 3k4m n LYS 490 Ca 0.14 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.54 3k4m n LYS 490 Cb 0.59 -0.44 -0.04 0.00 -0.51 0.00 0.00 35.03 34.62 3k4m n LYS 490 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3k4m s ILE 491 N -2.00 3.57 0.16 -0.18 -1.09 -1.26 -5.01 121.20 115.38 3k4m s ILE 491 Ca 0.00 1.55 0.07 0.00 -2.23 0.00 0.00 60.65 60.04 3k4m s ILE 491 Cb 0.00 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 3k4m s ILE 491 CO 0.00 0.36 -0.15 0.42 -1.23 0.00 0.00 174.94 174.33 3k4m s THR 492 N -1.04 1.59 0.00 2.92 -4.23 -1.26 -2.11 115.64 111.51 3k4m s THR 492 Ca 0.45 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3k4m s THR 492 Cb -0.31 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 71.72 3k4m s THR 492 CO 0.40 -0.46 0.00 -0.90 -0.54 0.00 0.00 174.62 173.11 3k4m n ASP 493 N 0.13 0.00 0.15 3.99 5.68 0.20 -4.78 116.55 121.91 3k4m n ASP 493 Ca -0.12 -0.74 0.13 0.00 -0.50 0.00 0.00 54.79 53.55 3k4m n ASP 493 Cb 0.58 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 41.04 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 -1.26 1.00 -0.33 2.12 0.00 -1.99 -1.57 119.26 117.23 3k4m h ALA 494 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3k4m h ALA 494 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 3k4m h ALA 494 CO 0.00 0.00 -0.05 0.66 0.00 0.00 0.00 179.25 179.86 3k4m n TYR 495 N -2.39 1.04 -3.54 0.00 4.02 -1.26 -4.94 117.16 110.10 3k4m n TYR 495 Ca 0.03 -1.42 -0.25 0.00 -0.01 0.00 0.00 57.90 56.25 3k4m n TYR 495 Cb 0.30 -0.45 -0.02 0.00 -0.02 0.00 0.00 39.34 39.16 3k4m n TYR 495 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3k4m n ASN 496 N -1.00 -3.22 -4.83 7.72 4.13 -0.59 -4.98 115.26 112.49 3k4m n ASN 496 Ca 0.30 -0.49 -0.22 0.00 1.68 0.00 0.00 54.58 55.85 3k4m n ASN 496 Cb 1.00 -2.68 -0.04 0.00 -1.54 0.00 0.00 39.78 36.51 3k4m n ASN 496 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 3k4m s MET 497 N -6.19 2.87 0.22 3.52 -1.94 -1.26 -4.79 119.30 111.73 3k4m s MET 497 Ca 0.46 -1.12 -0.32 0.00 -1.71 0.00 0.00 55.69 53.00 3k4m s MET 497 Cb -0.25 -2.54 -0.14 0.00 2.01 0.00 0.00 34.83 33.92 3k4m s MET 497 CO 0.57 0.31 1.45 -2.30 -0.01 0.00 0.00 175.02 175.04 3k4m n PRO 498 N -1.24 2.05 -2.45 2.03 -0.02 -1.26 0.58 135.00 134.70 3k4m n PRO 498 Ca -0.06 0.73 -0.43 0.00 -2.02 0.00 0.00 63.50 61.72 3k4m n PRO 498 Cb 0.58 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 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 -0.09 4.24 0.48 -0.52 2.00 -0.90 -4.64 119.66 120.24 3k4m s GLN 499 Ca 0.71 1.63 -0.24 0.00 -2.00 0.00 0.00 55.36 55.46 3k4m s GLN 499 Cb -0.66 -3.74 -0.07 0.00 0.80 0.00 0.00 33.01 29.34 3k4m s GLN 499 CO 0.47 -0.68 1.39 -1.25 -0.50 0.00 0.00 175.29 174.72 3k4m s PRO 500 N 3.38 3.49 -0.09 1.67 0.04 -1.26 -1.47 135.00 140.76 3k4m s PRO 500 Ca 0.54 2.33 -0.04 0.00 0.04 0.00 0.00 61.00 63.87 3k4m s PRO 500 Cb -0.21 -2.51 0.05 0.00 0.04 0.00 0.00 34.50 31.87 3k4m s PRO 500 CO 0.14 -0.94 0.19 0.99 0.04 0.00 0.00 177.00 177.42 3k4m s THR 501 N -1.25 -0.20 -0.01 1.26 2.01 0.12 -4.63 115.64 112.95 3k4m s THR 501 Ca 0.65 0.26 -0.11 0.00 0.31 0.00 0.00 61.69 62.80 3k4m s THR 501 Cb -0.42 -0.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 3k4m s THR 501 CO 0.52 0.11 0.33 -0.36 -0.69 0.00 0.00 174.62 174.53 3k4m s PHE 502 N 1.84 3.66 -0.45 4.92 0.08 -1.26 -0.45 117.98 126.32 3k4m s PHE 502 Ca -0.03 0.80 0.03 0.00 0.12 0.00 0.00 56.93 57.86 3k4m s PHE 502 Cb -0.12 -2.15 0.12 0.00 -0.57 0.00 0.00 43.02 40.31 3k4m s PHE 502 CO -0.07 0.64 0.20 0.34 -0.10 0.00 0.00 175.22 176.23 3k4m s ASP 503 N -1.27 4.17 -0.01 1.36 -1.08 0.74 -4.62 116.67 115.96 3k4m s ASP 503 Ca 0.24 -2.63 0.01 0.00 -0.52 0.00 0.00 52.55 49.65 3k4m s ASP 503 Cb -0.15 -1.38 0.01 0.00 -1.46 0.00 0.00 42.92 39.94 3k4m s ASP 503 CO 0.12 -0.28 -0.02 0.12 0.52 0.00 0.00 175.17 175.63 3k4m s PHE 504 N 0.28 0.31 0.01 -5.34 2.19 -0.20 -0.28 117.98 114.96 3k4m s PHE 504 Ca 0.15 -0.04 0.01 0.00 0.33 0.00 0.00 56.93 57.38 3k4m s PHE 504 Cb -0.24 -0.28 -0.01 0.00 -1.31 0.00 0.00 43.02 41.19 3k4m s PHE 504 CO -0.03 -0.05 -0.04 1.03 1.83 0.00 0.00 175.22 177.96 3k4m s ARG 505 N 0.32 0.30 -0.03 10.12 1.81 -1.26 -3.94 118.95 126.27 3k4m s ARG 505 Ca -0.03 -0.36 -0.30 0.00 -1.72 0.00 0.00 55.73 53.33 3k4m s ARG 505 Cb -0.06 -0.15 -0.08 0.00 -0.45 0.00 0.00 34.95 34.22 3k4m s ARG 505 CO -0.01 0.03 1.96 -0.06 -0.68 0.00 0.00 175.30 176.54 3k4m s PHE 506 N -0.67 1.38 0.34 -0.53 0.08 -1.26 -4.90 117.98 112.41 3k4m s PHE 506 Ca -0.05 -0.17 -0.29 0.00 0.12 0.00 0.00 56.93 56.54 3k4m s PHE 506 Cb -0.05 -4.14 -0.11 0.00 -0.57 0.00 0.00 43.02 38.15 3k4m s PHE 506 CO -0.00 -5.00 1.41 -2.14 -0.10 0.00 0.00 175.22 169.39 3k4m s PRO 507 N 4.75 4.23 1.04 0.24 0.02 -1.26 -4.88 135.00 139.14 3k4m s PRO 507 Ca 0.88 2.39 -0.12 0.00 0.02 0.00 0.00 61.00 64.17 3k4m s PRO 507 Cb -0.39 -3.03 0.22 0.00 0.02 0.00 0.00 34.50 31.32 3k4m s PRO 507 CO 0.38 -0.38 1.07 0.00 -0.33 0.00 0.00 177.00 177.75 3k4m s ALA 508 N -0.93 0.46 0.00 -1.55 0.00 -1.26 -3.18 121.76 115.29 3k4m s ALA 508 Ca 0.52 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.51 3k4m s ALA 508 Cb -0.43 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3k4m s ALA 508 CO 0.56 -3.24 0.00 0.41 0.00 0.00 0.00 175.76 173.49 3k4m n GLY 509 N 0.13 0.06 0.28 0.00 0.00 -1.26 -4.42 105.19 99.97 3k4m n GLY 509 Ca 0.06 -1.54 0.07 0.00 0.00 0.00 0.00 46.02 44.60 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 0.25 -0.88 1.61 2.43 -1.99 -0.43 114.38 115.38 3k4m h ARG 510 Ca 0.00 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3k4m h ARG 510 Cb 0.00 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 3k4m h ARG 510 CO 0.00 0.17 0.56 1.15 -1.51 0.00 0.00 179.97 180.34 3k4m h THR 511 N 0.26 1.13 0.02 0.20 2.02 -1.77 0.14 112.91 114.91 3k4m h THR 511 Ca 0.43 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 67.16 3k4m h THR 511 Cb 0.76 -0.05 0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3k4m h THR 511 CO -0.53 0.20 -0.34 0.28 0.37 0.00 0.00 175.52 175.49 3k4m h SER 512 N 1.09 0.26 -0.11 4.18 0.02 -1.07 -2.18 113.55 115.74 3k4m h SER 512 Ca 0.35 -0.85 0.04 0.00 -0.84 0.00 0.00 61.79 60.50 3k4m h SER 512 Cb 0.03 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.42 3k4m h SER 512 CO -0.12 1.07 -0.47 0.50 -1.14 0.00 0.00 176.83 176.66 3k4m h LYS 513 N -0.53 -0.53 -0.84 3.45 3.64 -1.11 -1.20 116.57 119.44 3k4m h LYS 513 Ca -0.05 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.53 3k4m h LYS 513 Cb 1.15 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 33.03 3k4m h LYS 513 CO 0.07 -0.36 0.56 0.93 -2.27 0.00 0.00 179.45 178.38 3k4m h GLU 514 N -0.55 0.49 -0.45 1.90 5.08 -0.79 -0.40 114.58 119.85 3k4m h GLU 514 Ca 0.05 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3k4m h GLU 514 Cb 0.66 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3k4m h GLU 514 CO -0.40 0.32 0.05 0.00 -1.00 0.00 0.00 179.01 177.98 3k4m h ALA 515 N 1.62 0.60 -0.00 3.43 0.00 -0.62 0.64 119.26 124.93 3k4m h ALA 515 Ca 0.43 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 3k4m h ALA 515 Cb 0.91 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.54 3k4m h ALA 515 CO -0.17 0.35 -0.73 1.49 0.00 0.00 0.00 179.25 180.19 3k4m h GLU 516 N 0.62 0.49 -1.00 0.00 4.57 -0.27 -2.50 114.58 116.50 3k4m h GLU 516 Ca 0.13 -0.53 0.22 0.00 -1.18 0.00 0.00 59.36 58.00 3k4m h GLU 516 Cb 0.42 0.15 -0.10 0.00 -0.16 0.00 0.00 28.75 29.06 3k4m h GLU 516 CO 0.01 1.17 0.62 -0.44 -1.18 0.00 0.00 179.01 179.19 3k4m h ASP 517 N 0.04 0.64 -0.13 1.04 3.32 -1.08 -2.13 116.42 118.11 3k4m h ASP 517 Ca -0.09 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3k4m h ASP 517 Cb 1.42 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.95 3k4m h ASP 517 CO 0.14 0.19 0.01 -0.03 -1.72 0.00 0.00 179.24 177.82 3k4m h MET 518 N 0.60 0.23 -0.22 3.56 4.05 -0.63 -1.45 114.93 121.08 3k4m h MET 518 Ca 0.58 -0.07 0.06 0.00 -0.28 0.00 0.00 59.70 59.99 3k4m h MET 518 Cb 1.14 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.85 3k4m h MET 518 CO -0.35 0.46 -0.18 1.98 0.23 0.00 0.00 176.91 179.04 3k4m h MET 519 N -0.02 -0.18 -0.64 0.39 1.85 -0.97 -0.33 114.93 115.03 3k4m h MET 519 Ca 0.04 0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.17 3k4m h MET 519 Cb 0.35 0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.38 3k4m h MET 519 CO 0.01 -0.12 0.39 1.15 -0.40 0.00 0.00 176.91 177.94 3k4m h THR 520 N -0.18 1.08 -0.67 -0.77 2.02 -1.21 -1.09 112.91 112.09 3k4m h THR 520 Ca 0.13 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 3k4m h THR 520 Cb 0.38 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 3k4m h THR 520 CO -0.33 0.14 0.40 -0.78 0.37 0.00 0.00 175.52 175.32 3k4m h ASP 521 N 0.77 0.80 -0.37 4.18 3.58 -0.83 0.75 116.42 125.30 3k4m h ASP 521 Ca 0.26 -0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.62 3k4m h ASP 521 Cb 0.03 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 3k4m h ASP 521 CO -0.11 0.62 0.05 -0.03 -2.88 0.00 0.00 179.24 176.89 3k4m h MET 522 N 0.92 0.62 -0.47 0.28 4.05 -0.01 0.19 114.93 120.51 3k4m h MET 522 Ca 0.24 -0.17 0.08 0.00 -0.28 0.00 0.00 59.70 59.57 3k4m h MET 522 Cb -0.03 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 30.63 3k4m h MET 522 CO -0.05 0.69 0.08 0.00 0.23 0.00 0.00 176.91 177.87 3k4m h VAL 524 N 0.21 0.58 -0.86 0.00 2.07 -0.86 -2.60 116.25 114.79 3k4m h VAL 524 Ca 0.24 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3k4m h VAL 524 Cb 0.32 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3k4m h VAL 524 CO -0.32 0.09 0.44 -0.03 0.02 0.00 0.00 177.57 177.78 3k4m h MET 525 N -0.84 1.22 -0.40 1.57 -1.53 -0.58 -3.02 114.93 111.36 3k4m h MET 525 Ca -0.05 -0.16 -0.11 0.00 -3.44 0.00 0.00 59.70 55.93 3k4m h MET 525 Cb 0.53 -0.23 -0.01 0.00 -0.55 0.00 0.00 31.60 31.34 3k4m h MET 525 CO 0.08 0.91 -0.21 0.66 0.14 0.00 0.00 176.91 178.49 3k4m h SER 526 N 1.21 0.79 -0.31 1.39 4.64 -1.04 -2.57 113.55 117.67 3k4m h SER 526 Ca 0.30 -0.28 0.09 0.00 -0.47 0.00 0.00 61.79 61.43 3k4m h SER 526 Cb 0.07 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 3k4m h SER 526 CO -0.04 0.98 0.61 0.00 -0.87 0.00 0.00 176.83 177.51 3k4m h ALA 527 N 1.08 1.96 0.00 5.18 0.00 -1.32 -1.46 119.26 124.70 3k4m h ALA 527 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k4m h ALA 527 Cb 0.72 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3k4m h ALA 527 CO 0.06 -0.76 -0.14 0.87 0.00 0.00 0.00 179.25 179.27 3k4m h LYS 528 N 0.00 0.00 0.00 0.00 1.57 -1.58 -3.25 116.57 113.31 3k4m h LYS 528 Ca 0.15 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.63 3k4m h LYS 528 Cb 1.36 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.61 3k4m h LYS 528 CO -0.00 0.00 -2.19 -0.89 -0.57 0.00 0.00 179.45 175.80 3k4m n ILE 529 N -2.83 1.21 0.00 1.86 2.08 -0.60 -4.97 119.36 116.11 3k4m n ILE 529 Ca 0.04 -0.79 0.00 0.00 0.56 0.00 0.00 62.75 62.56 3k4m n ILE 529 Cb 0.51 -0.48 0.00 0.00 -0.75 0.00 0.00 39.64 38.92 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 1.63 1.81 3.90 7.39 0.00 -0.91 -0.81 105.19 118.20 3k4m n GLY 530 Ca -0.25 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 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 1.62 0.53 -0.02 0.00 -1.24 -3.81 107.32 104.40 3k4m s GLY 531 Ca 0.00 -0.51 -0.21 0.00 0.00 0.00 0.00 44.72 44.00 3k4m s GLY 531 CO 0.00 -0.17 1.21 -1.36 0.00 0.00 0.00 173.10 172.78 3k4m s PHE 532 N -3.24 2.58 -0.27 1.90 0.08 -1.26 -1.57 117.98 116.19 3k4m s PHE 532 Ca 0.57 1.50 -0.21 0.00 0.12 0.00 0.00 56.93 58.91 3k4m s PHE 532 Cb -0.11 -3.48 -0.01 0.00 -0.57 0.00 0.00 43.02 38.85 3k4m s PHE 532 CO 0.49 -2.00 0.68 -1.17 -0.10 0.00 0.00 175.22 173.12 3k4m s LEU 533 N -3.57 4.09 0.35 -0.37 2.96 0.26 -4.70 118.68 117.70 3k4m s LEU 533 Ca 0.71 0.68 -0.27 0.00 -0.22 0.00 0.00 54.13 55.03 3k4m s LEU 533 Cb -0.31 -2.92 -0.12 0.00 0.50 0.00 0.00 46.19 43.34 3k4m s LEU 533 CO 0.35 -0.45 1.21 -2.65 -1.32 0.00 0.00 176.35 173.50 3k4m n PRO 534 N 5.86 1.90 0.00 0.98 -0.02 -1.26 -0.99 135.00 141.47 3k4m n PRO 534 Ca 0.01 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3k4m n PRO 534 Cb 0.49 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 0.89 2.61 2.57 -1.23 0.00 -1.26 -4.79 105.19 103.97 3k4m n GLY 535 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 3.01 -4.83 1.61 7.64 -0.16 -5.06 113.62 115.84 3k4m n SER 536 Ca 0.00 -3.29 -0.33 0.00 1.01 0.00 0.00 58.87 56.27 3k4m n SER 536 Cb 0.00 -0.53 -0.04 0.00 -1.01 0.00 0.00 64.21 62.63 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 -3.21 3.74 -0.03 -3.43 1.43 -1.25 -1.46 118.68 114.47 3k4m s LEU 537 Ca 0.40 1.68 -0.35 0.00 -1.03 0.00 0.00 54.13 54.83 3k4m s LEU 537 Cb 0.39 -4.53 -0.14 0.00 0.03 0.00 0.00 46.19 41.94 3k4m s LEU 537 CO -0.09 -0.60 1.70 -0.81 0.23 0.00 0.00 176.35 176.78 3k4m n PRO 538 N -1.25 1.85 -3.66 1.29 -0.04 -1.26 -4.65 135.00 127.28 3k4m n PRO 538 Ca 0.07 0.67 -0.12 0.00 -0.04 0.00 0.00 63.50 64.08 3k4m n PRO 538 Cb 0.54 -2.44 -0.06 0.00 -0.04 0.00 0.00 33.50 31.50 3k4m n PRO 538 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3k4m s GLN 539 N 2.60 0.96 0.25 0.54 -2.07 -0.82 -5.00 119.66 116.11 3k4m s GLN 539 Ca 0.89 -0.45 -0.30 0.00 -1.82 0.00 0.00 55.36 53.68 3k4m s GLN 539 Cb -0.79 0.43 -0.09 0.00 -1.09 0.00 0.00 33.01 31.46 3k4m s GLN 539 CO 0.50 -0.34 0.99 -0.06 -1.32 0.00 0.00 175.29 175.05 3k4m s PHE 540 N -2.81 3.86 0.42 9.60 0.08 -1.26 -1.11 117.98 126.77 3k4m s PHE 540 Ca -0.03 1.85 -0.05 0.00 0.12 0.00 0.00 56.93 58.82 3k4m s PHE 540 Cb -0.00 -3.07 -0.04 0.00 -0.57 0.00 0.00 43.02 39.33 3k4m s PHE 540 CO -0.05 0.15 0.71 -1.64 -0.10 0.00 0.00 175.22 174.29 3k4m s MET 541 N -1.23 3.58 0.24 0.44 -1.94 -0.08 -4.95 119.30 115.36 3k4m s MET 541 Ca 0.42 0.12 -0.30 0.00 -1.71 0.00 0.00 55.69 54.22 3k4m s MET 541 Cb -0.28 -2.46 -0.14 0.00 2.01 0.00 0.00 34.83 33.96 3k4m s MET 541 CO 0.35 -0.06 1.20 0.39 -0.01 0.00 0.00 175.02 176.89 3k4m n GLU 542 N -1.85 1.56 -1.69 2.03 -0.58 -1.26 -4.78 120.64 114.07 3k4m n GLU 542 Ca -0.00 0.55 -0.43 0.00 -0.42 0.00 0.00 57.16 56.86 3k4m n GLU 542 Cb 0.55 -2.07 -0.03 0.00 -0.57 0.00 0.00 31.44 29.32 3k4m n GLU 542 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3k4m n PRO 543 N 1.42 2.62 0.00 3.49 -0.02 -1.26 -1.40 135.00 139.84 3k4m n PRO 543 Ca 0.11 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 3k4m n PRO 543 Cb 0.30 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 30.98 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 4.00 2.45 0.38 -1.23 0.00 -1.26 -0.55 105.19 108.99 3k4m n GLY 544 Ca 0.18 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.36 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 0.37 -1.95 0.99 5.85 -1.26 0.20 115.31 119.51 3k4m h LEU 545 Ca 0.00 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.90 3k4m h LEU 545 Cb 0.00 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3k4m h LEU 545 CO 0.00 0.19 0.50 1.62 -0.34 0.00 0.00 178.44 180.41 3k4m h VAL 546 N 0.39 0.43 -6.19 1.05 3.04 -1.87 -3.47 116.25 109.63 3k4m h VAL 546 Ca 0.38 0.00 -0.45 0.00 -1.01 0.00 0.00 66.70 65.62 3k4m h VAL 546 Cb 0.91 0.62 0.01 0.00 -2.01 0.00 0.00 31.29 30.82 3k4m h VAL 546 CO -0.12 0.00 -0.78 0.18 -1.01 0.00 0.00 177.57 175.84 3k4m n LEU 547 N -3.86 -2.83 -1.53 3.16 4.77 0.72 -4.92 117.00 112.51 3k4m n LEU 547 Ca 0.10 -0.78 -0.11 0.00 -0.03 0.00 0.00 56.01 55.19 3k4m n LEU 547 Cb 0.71 -2.63 0.09 0.00 -2.33 0.00 0.00 43.42 39.27 3k4m n LEU 547 CO 0.30 0.45 0.23 1.41 -1.33 0.00 0.00 177.39 178.46 3k4m n HIS 548 N -4.53 1.58 -1.71 -1.77 8.25 -1.26 -5.06 115.22 110.72 3k4m n HIS 548 Ca -0.10 -1.90 -0.43 0.00 -0.26 0.00 0.00 57.72 55.03 3k4m n HIS 548 Cb 0.59 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 3k4m n HIS 548 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3k4m n LEU 549 N -0.81 3.83 -4.37 2.41 7.94 -1.26 -4.53 117.00 120.21 3k4m n LEU 549 Ca 0.32 1.10 -0.20 0.00 -1.11 0.00 0.00 56.01 56.12 3k4m n LEU 549 Cb 0.87 -1.53 -0.09 0.00 0.53 0.00 0.00 43.42 43.19 3k4m n LEU 549 CO 0.21 -0.00 -0.19 -0.83 -1.11 0.00 0.00 177.39 175.47 3k4m s GLY 550 N 0.78 2.23 -1.09 -3.96 0.00 -0.41 -4.37 107.32 100.49 3k4m s GLY 550 Ca 0.71 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.74 3k4m s GLY 550 CO 0.41 -1.63 0.00 0.61 0.00 0.00 0.00 173.10 172.49 3k4m n GLY 551 N -0.67 1.02 0.26 0.20 0.00 0.83 -1.64 105.19 105.19 3k4m n GLY 551 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.10 3k4m n GLY 551 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3k4m h THR 552 N 0.00 0.51 -1.52 2.61 1.35 -1.69 -3.28 112.91 110.89 3k4m h THR 552 Ca -0.21 -0.62 -0.43 0.00 -0.55 0.00 0.00 66.41 64.60 3k4m h THR 552 Cb 1.09 1.42 -0.34 0.00 -1.73 0.00 0.00 68.15 68.59 3k4m h THR 552 CO 0.31 0.12 -1.00 0.00 -0.25 0.00 0.00 175.52 174.70 3k4m n HIS 553 N -3.54 -0.67 -1.82 4.73 1.44 0.03 -0.87 115.22 114.52 3k4m n HIS 553 Ca -0.01 -3.35 -0.32 0.00 -2.01 0.00 0.00 57.72 52.02 3k4m n HIS 553 Cb 0.27 0.09 0.03 0.00 0.12 0.00 0.00 29.99 30.50 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 -1.55 3.05 0.34 -1.40 1.70 -1.01 -3.89 118.95 116.19 3k4m s ARG 554 Ca 0.35 1.18 -0.09 0.00 -0.47 0.00 0.00 55.73 56.70 3k4m s ARG 554 Cb 0.30 -2.00 -0.06 0.00 -0.57 0.00 0.00 34.95 32.62 3k4m s ARG 554 CO -0.09 -1.02 0.68 1.41 -1.08 0.00 0.00 175.30 175.20 3k4m s MET 555 N -4.37 3.77 -0.11 3.89 -2.45 0.75 -0.95 119.30 119.83 3k4m s MET 555 Ca 0.63 0.34 -0.33 0.00 -1.25 0.00 0.00 55.69 55.08 3k4m s MET 555 Cb -0.16 -2.49 0.13 0.00 1.25 0.00 0.00 34.83 33.55 3k4m s MET 555 CO 0.43 0.09 1.25 0.20 1.05 0.00 0.00 175.02 178.05 3k4m s GLY 556 N -2.97 -0.34 0.18 2.11 0.00 -0.52 -4.60 107.32 101.18 3k4m s GLY 556 Ca 0.49 1.20 -0.08 0.00 0.00 0.00 0.00 44.72 46.34 3k4m s GLY 556 CO 0.28 0.35 1.56 0.74 0.00 0.00 0.00 173.10 176.04 3k4m h PHE 557 N 2.00 1.02 -3.42 1.90 0.04 -1.92 -3.34 116.94 113.22 3k4m h PHE 557 Ca -0.18 -0.26 -0.41 0.00 2.80 0.00 0.00 57.97 59.91 3k4m h PHE 557 Cb 1.18 -0.23 -0.35 0.00 2.20 0.00 0.00 35.95 38.75 3k4m h PHE 557 CO 0.30 1.04 -0.77 0.34 -0.60 0.00 0.00 178.31 178.62 3k4m s ASP 558 N -6.77 1.06 0.16 2.17 2.15 -1.26 -4.92 116.67 109.26 3k4m s ASP 558 Ca -0.10 -0.12 -0.15 0.00 0.43 0.00 0.00 52.55 52.60 3k4m s ASP 558 Cb 0.12 -0.45 0.09 0.00 -0.30 0.00 0.00 42.92 42.39 3k4m s ASP 558 CO 0.86 -0.08 1.74 -0.08 -0.17 0.00 0.00 175.17 177.44 3k4m h GLU 559 N 7.40 0.26 0.17 4.34 4.81 -1.87 0.69 114.58 130.38 3k4m h GLU 559 Ca -0.35 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 58.59 3k4m h GLU 559 Cb 1.15 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 30.48 3k4m h GLU 559 CO 0.43 0.17 -1.32 -0.22 -0.73 0.00 0.00 179.01 177.35 3k4m h LYS 560 N 0.27 0.37 0.00 1.92 3.64 -1.97 -1.99 116.57 118.81 3k4m h LYS 560 Ca 0.19 -0.62 -0.12 0.00 -1.27 0.00 0.00 60.65 58.82 3k4m h LYS 560 Cb 0.19 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3k4m h LYS 560 CO -0.21 1.30 -0.57 0.93 -2.27 0.00 0.00 179.45 178.63 3k4m h GLU 561 N -0.13 0.00 -0.32 1.90 5.08 -1.95 -2.96 114.58 116.20 3k4m h GLU 561 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3k4m h GLU 561 Cb 1.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.14 3k4m h GLU 561 CO 0.16 0.57 0.00 -0.25 -1.00 0.00 0.00 179.01 178.49 3k4m n ASP 562 N -3.61 3.21 -3.91 1.42 8.00 0.22 -4.99 116.55 116.90 3k4m n ASP 562 Ca -0.00 -2.29 -0.39 0.00 0.71 0.00 0.00 54.79 52.81 3k4m n ASP 562 Cb 0.63 -0.32 0.02 0.00 -0.02 0.00 0.00 41.12 41.43 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 0.22 -4.65 -4.31 -2.24 4.13 -0.99 -4.91 115.26 102.52 3k4m n ASN 563 Ca 0.14 -1.16 -0.16 0.00 1.68 0.00 0.00 54.58 55.09 3k4m n ASN 563 Cb 0.56 -2.21 -0.10 0.00 -1.54 0.00 0.00 39.78 36.49 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 -2.64 0.76 0.57 0.00 -7.23 -0.83 -3.02 120.40 108.01 3k4m s VAL 566 Ca -0.03 -1.55 -0.04 0.00 -1.81 0.00 0.00 61.98 58.55 3k4m s VAL 566 Cb 0.07 -1.22 0.12 0.00 0.56 0.00 0.00 36.38 35.90 3k4m s VAL 566 CO 0.43 -0.59 0.78 -0.46 -0.31 0.00 0.00 175.10 174.95 3k4m n ASN 567 N 0.67 0.69 0.00 4.85 0.23 -0.22 -1.43 115.26 120.05 3k4m n ASN 567 Ca -0.17 -1.67 0.06 0.00 -0.53 0.00 0.00 54.58 52.27 3k4m n ASN 567 Cb 0.58 -0.54 0.28 0.00 -2.08 0.00 0.00 39.78 38.01 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 -2.69 0.95 0.18 5.53 -2.24 -1.25 0.11 114.28 114.87 3k4m n THR 568 Ca 0.12 0.24 0.10 0.00 -2.27 0.00 0.00 64.05 62.23 3k4m n THR 568 Cb 0.42 -1.04 0.27 0.00 -2.10 0.00 0.00 70.33 67.88 3k4m n THR 568 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k4m n ASP 569 N -1.40 3.15 -2.15 3.42 8.00 -1.26 -4.63 116.55 121.68 3k4m n ASP 569 Ca 0.04 -1.98 -0.20 0.00 0.71 0.00 0.00 54.79 53.36 3k4m n ASP 569 Cb 0.12 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 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 1.23 -5.62 -4.77 -2.24 7.64 0.31 -4.24 113.62 105.92 3k4m n SER 570 Ca 0.20 0.15 -0.39 0.00 1.01 0.00 0.00 58.87 59.84 3k4m n SER 570 Cb 0.51 -4.77 -0.06 0.00 -1.01 0.00 0.00 64.21 58.88 3k4m n SER 570 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3k4m s ARG 571 N -4.64 4.30 0.23 1.43 3.52 -1.24 -2.09 118.95 120.45 3k4m s ARG 571 Ca 0.00 0.75 -0.30 0.00 -0.13 0.00 0.00 55.73 56.05 3k4m s ARG 571 Cb 0.00 -3.32 -0.10 0.00 -1.56 0.00 0.00 34.95 29.97 3k4m s ARG 571 CO 0.00 0.42 1.42 0.08 -0.81 0.00 0.00 175.30 176.41 3k4m s VAL 572 N -0.38 2.80 0.40 7.11 1.01 0.21 -1.06 120.40 130.48 3k4m s VAL 572 Ca 0.31 0.66 -0.27 0.00 0.00 0.00 0.00 61.98 62.68 3k4m s VAL 572 Cb -0.19 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 3k4m s VAL 572 CO 0.18 0.10 1.44 -0.36 0.00 0.00 0.00 175.10 176.46 3k4m s PHE 573 N 0.13 2.59 0.00 5.22 0.08 -1.17 -2.07 117.98 122.77 3k4m s PHE 573 Ca 0.60 1.23 0.00 0.00 0.12 0.00 0.00 56.93 58.88 3k4m s PHE 573 Cb -0.41 -3.94 0.00 0.00 -0.57 0.00 0.00 43.02 38.10 3k4m s PHE 573 CO 0.41 -2.83 0.00 0.41 -0.10 0.00 0.00 175.22 173.11 3k4m n GLY 574 N 0.54 2.96 3.57 4.36 0.00 -1.26 -5.00 105.19 110.36 3k4m n GLY 574 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.41 3.16 0.48 1.61 0.40 -0.88 -4.07 117.98 117.27 3k4m s PHE 575 Ca 0.00 -0.10 0.35 0.00 -0.60 0.00 0.00 56.93 56.57 3k4m s PHE 575 Cb 0.00 -2.06 1.84 0.00 0.51 0.00 0.00 43.02 43.31 3k4m s PHE 575 CO 0.00 0.04 2.19 0.87 0.70 0.00 0.00 175.22 179.02 3k4m h LYS 576 N 6.86 0.00 0.00 0.44 1.79 -1.70 -3.36 116.57 120.60 3k4m h LYS 576 Ca -0.35 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.09 3k4m h LYS 576 Cb 1.18 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.78 3k4m h LYS 576 CO 0.66 0.04 -0.43 0.27 -1.08 0.00 0.00 179.45 178.91 3k4m n ASN 577 N -3.41 0.07 -4.16 0.86 6.94 -1.26 -5.04 115.26 109.26 3k4m n ASN 577 Ca -0.02 -1.76 -0.33 0.00 -0.02 0.00 0.00 54.58 52.45 3k4m n ASN 577 Cb 0.16 -0.14 -0.16 0.00 -2.36 0.00 0.00 39.78 37.28 3k4m n ASN 577 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3k4m s LEU 578 N 0.00 2.15 0.04 -4.53 2.96 -1.26 -1.03 118.68 117.02 3k4m s LEU 578 Ca 0.04 -0.61 0.04 0.00 -0.22 0.00 0.00 54.13 53.38 3k4m s LEU 578 Cb 0.04 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 3k4m s LEU 578 CO -0.02 0.05 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.59 3k4m s PHE 579 N 0.99 0.98 -0.03 5.38 0.40 -0.03 -0.62 117.98 125.06 3k4m s PHE 579 Ca -0.02 -0.37 0.06 0.00 -0.60 0.00 0.00 56.93 56.00 3k4m s PHE 579 Cb -0.15 -0.58 -0.01 0.00 0.51 0.00 0.00 43.02 42.79 3k4m s PHE 579 CO -0.06 0.00 -0.22 -0.51 0.70 0.00 0.00 175.22 175.13 3k4m s LEU 580 N -1.18 2.03 0.03 -0.37 1.43 -0.89 -1.00 118.68 118.72 3k4m s LEU 580 Ca -0.02 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 3k4m s LEU 580 Cb -0.08 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 3k4m s LEU 580 CO 0.01 0.26 -0.12 -0.83 0.23 0.00 0.00 176.35 175.90 3k4m s GLY 581 N -0.40 0.67 0.00 -3.19 0.00 -0.76 -4.78 107.32 98.85 3k4m s GLY 581 Ca 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.06 3k4m s GLY 581 CO 0.00 -0.69 0.00 0.61 0.00 0.00 0.00 173.10 173.03 3k4m n GLY 582 N 2.08 3.28 0.21 0.20 0.00 -1.26 -4.42 105.19 105.28 3k4m n GLY 582 Ca -0.17 -1.69 0.15 0.00 0.00 0.00 0.00 46.02 44.30 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 0.35 0.00 2.00 0.00 0.00 -1.89 -2.24 103.07 101.29 3k4m h GLY 584 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 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 -2.99 0.19 2.35 -1.42 0.26 115.58 113.97 3k4m h ASN 585 Ca -0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 3k4m h ASN 585 Cb 0.15 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 3k4m h ASN 585 CO 0.01 0.00 0.83 -0.63 -1.65 0.00 0.00 177.43 175.99 3k4m s ILE 586 N -3.39 4.37 -0.83 2.81 1.01 -0.88 -0.18 121.20 124.11 3k4m s ILE 586 Ca 0.05 1.67 0.22 0.00 0.00 0.00 0.00 60.65 62.59 3k4m s ILE 586 Cb 0.07 -4.08 -0.18 0.00 0.01 0.00 0.00 42.46 38.28 3k4m s ILE 586 CO 0.61 -0.11 0.97 -0.81 0.00 0.00 0.00 174.94 175.60 3k4m n PRO 587 N 6.23 0.12 -2.73 2.79 -0.04 -1.26 -0.12 135.00 139.98 3k4m n PRO 587 Ca 0.13 -0.02 -0.22 0.00 -0.04 0.00 0.00 63.50 63.35 3k4m n PRO 587 Cb 0.45 -1.52 0.08 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 -3.09 2.29 -0.33 0.52 -4.23 -1.26 -4.77 115.64 104.78 3k4m s THR 588 Ca 0.06 -0.73 -0.16 0.00 -1.18 0.00 0.00 61.69 59.68 3k4m s THR 588 Cb 0.16 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.42 3k4m s THR 588 CO 0.83 0.00 0.40 0.00 -0.54 0.00 0.00 174.62 175.31 3k4m s ALA 589 N -2.90 3.51 0.05 3.99 0.00 -1.26 -4.81 121.76 120.34 3k4m s ALA 589 Ca 0.63 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.56 3k4m s ALA 589 Cb -0.07 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 3k4m s ALA 589 CO 0.41 -1.01 -0.11 1.52 0.00 0.00 0.00 175.76 176.57 3k4m s TYR 590 N 2.12 0.95 -0.12 0.00 1.13 -1.26 -4.50 117.35 115.68 3k4m s TYR 590 Ca 0.14 -0.45 0.09 0.00 -1.41 0.00 0.00 57.07 55.44 3k4m s TYR 590 Cb -0.16 -0.55 -0.14 0.00 -1.10 0.00 0.00 41.96 40.01 3k4m s TYR 590 CO 0.12 -0.01 0.02 0.41 -2.51 0.00 0.00 175.55 173.58 3k4m n GLY 591 N 1.49 -0.52 3.75 5.49 0.00 -1.26 -3.93 105.19 110.20 3k4m n GLY 591 Ca -0.21 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.28 2.12 0.14 4.61 0.00 -1.26 -4.19 121.76 120.90 3k4m s ALA 592 Ca -0.07 0.34 -0.31 0.00 0.00 0.00 0.00 51.96 51.92 3k4m s ALA 592 Cb 0.04 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 3k4m s ALA 592 CO 0.45 -1.93 1.40 -0.80 0.00 0.00 0.00 175.76 174.88 3k4m s ASN 593 N -3.23 6.79 0.16 0.00 -0.87 -1.26 -4.91 114.94 111.63 3k4m s ASN 593 Ca 0.62 2.39 0.26 0.00 -1.57 0.00 0.00 52.86 54.56 3k4m s ASN 593 Cb -0.18 -2.59 0.69 0.00 -0.02 0.00 0.00 41.25 39.14 3k4m s ASN 593 CO 0.56 -0.66 1.64 -0.81 -2.57 0.00 0.00 177.10 175.25 3k4m n PRO 594 N 3.69 0.24 -0.06 -0.60 -0.04 -1.26 -4.34 135.00 132.64 3k4m n PRO 594 Ca 0.11 0.15 -0.06 0.00 -0.04 0.00 0.00 63.50 63.66 3k4m n PRO 594 Cb 0.42 -1.73 0.14 0.00 -0.04 0.00 0.00 33.50 32.28 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 -0.78 0.52 2.02 -1.90 0.16 112.91 114.19 3k4m h THR 595 Ca 0.00 -1.26 0.07 0.00 0.77 0.00 0.00 66.41 65.99 3k4m h THR 595 Cb 0.71 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 3k4m h THR 595 CO 0.00 0.42 0.51 0.25 0.37 0.00 0.00 175.52 177.07 3k4m h LEU 596 N 0.60 0.73 -0.02 2.58 5.85 -1.86 0.21 115.31 123.41 3k4m h LEU 596 Ca 0.09 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3k4m h LEU 596 Cb 0.67 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3k4m h LEU 596 CO 0.05 0.47 -0.07 0.74 -0.34 0.00 0.00 178.44 179.28 3k4m h THR 597 N 0.83 1.50 -0.88 1.05 2.02 -1.29 -0.76 112.91 115.39 3k4m h THR 597 Ca 0.34 -1.58 0.18 0.00 0.77 0.00 0.00 66.41 66.12 3k4m h THR 597 Cb 0.27 2.52 -0.11 0.00 -1.74 0.00 0.00 68.15 69.09 3k4m h THR 597 CO -0.12 0.42 0.43 0.00 0.37 0.00 0.00 175.52 176.62 3k4m h ALA 598 N 0.36 1.38 -0.81 6.16 0.00 -1.04 0.83 119.26 126.15 3k4m h ALA 598 Ca -0.00 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3k4m h ALA 598 Cb 0.73 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3k4m h ALA 598 CO 0.01 -0.21 0.37 1.98 0.00 0.00 0.00 179.25 181.41 3k4m h MET 599 N 0.53 1.18 -0.35 0.00 -1.53 -0.09 -2.01 114.93 112.65 3k4m h MET 599 Ca 0.52 -0.19 -0.13 0.00 -3.44 0.00 0.00 59.70 56.46 3k4m h MET 599 Cb 0.86 -0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 31.70 3k4m h MET 599 CO -0.44 0.92 -0.29 0.77 0.14 0.00 0.00 176.91 178.01 3k4m h SER 600 N 1.16 0.76 -0.90 1.39 0.02 0.60 -1.85 113.55 114.73 3k4m h SER 600 Ca 0.28 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3k4m h SER 600 Cb 0.15 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 3k4m h SER 600 CO -0.03 1.01 0.54 -0.07 -1.14 0.00 0.00 176.83 177.14 3k4m h LEU 601 N 0.63 1.09 -0.87 5.07 3.38 -0.87 -2.33 115.31 121.41 3k4m h LEU 601 Ca 0.07 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3k4m h LEU 601 Cb 0.81 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3k4m h LEU 601 CO 0.07 0.84 -0.40 0.00 0.09 0.00 0.00 178.44 179.03 3k4m h ALA 602 N 1.30 1.04 -0.87 1.53 0.00 -0.81 0.86 119.26 122.31 3k4m h ALA 602 Ca 0.32 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3k4m h ALA 602 Cb -0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3k4m h ALA 602 CO -0.06 0.60 0.50 0.82 0.00 0.00 0.00 179.25 181.11 3k4m h ILE 603 N 0.28 1.25 -0.08 0.00 2.04 -1.03 -0.21 117.51 119.76 3k4m h ILE 603 Ca 0.03 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 3k4m h ILE 603 Cb 0.83 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3k4m h ILE 603 CO 0.07 0.27 0.00 0.50 0.00 0.00 0.00 178.15 178.99 3k4m h LYS 604 N 1.20 0.14 -0.61 2.37 3.64 -0.69 -2.53 116.57 120.09 3k4m h LYS 604 Ca 0.31 -0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.76 3k4m h LYS 604 Cb -0.01 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 31.68 3k4m h LYS 604 CO -0.05 0.39 -0.24 1.03 -2.27 0.00 0.00 179.45 178.31 3k4m h SER 605 N -0.13 -0.86 -0.60 4.20 0.87 -0.80 -0.37 113.55 115.86 3k4m h SER 605 Ca 0.02 0.21 0.08 0.00 -1.23 0.00 0.00 61.79 60.88 3k4m h SER 605 Cb 0.33 0.48 -0.04 0.00 -0.44 0.00 0.00 62.40 62.73 3k4m h SER 605 CO 0.00 -0.26 0.40 0.00 -0.53 0.00 0.00 176.83 176.44 3k4m h GLU 607 N 0.47 0.30 -0.25 0.00 5.08 -0.65 0.18 114.58 119.72 3k4m h GLU 607 Ca 0.27 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.39 3k4m h GLU 607 Cb 0.44 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3k4m h GLU 607 CO -0.08 0.56 -0.36 -0.92 -1.00 0.00 0.00 179.01 177.21 3k4m h TYR 608 N 0.27 0.85 -0.58 4.33 5.03 -0.94 -3.09 116.97 122.84 3k4m h TYR 608 Ca 0.04 -0.28 -0.01 0.00 2.58 0.00 0.00 58.73 61.05 3k4m h TYR 608 Cb 0.63 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.71 3k4m h TYR 608 CO 0.01 1.04 0.31 0.82 -1.32 0.00 0.00 178.16 179.03 3k4m h ILE 609 N 0.41 1.19 0.00 1.81 2.04 -0.85 -1.98 117.51 120.13 3k4m h ILE 609 Ca 0.03 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 3k4m h ILE 609 Cb 0.95 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3k4m h ILE 609 CO 0.08 0.21 -0.01 0.11 0.00 0.00 0.00 178.15 178.54 3k4m h LYS 610 N 0.78 0.00 -0.00 2.37 1.57 -0.66 -1.93 116.57 118.70 3k4m h LYS 610 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3k4m h LYS 610 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3k4m h LYS 610 CO -0.03 0.01 -0.95 1.04 -0.57 0.00 0.00 179.45 178.96 3k4m n GLN 611 N -3.41 0.03 0.00 3.15 6.02 -0.78 -4.52 117.38 117.88 3k4m n GLN 611 Ca -0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3k4m n GLN 611 Cb 0.11 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.87 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 -1.46 0.18 -4.26 1.08 3.02 -1.01 -5.03 115.26 107.78 3k4m n ASN 612 Ca 0.04 -0.55 -0.17 0.00 -0.03 0.00 0.00 54.58 53.87 3k4m n ASN 612 Cb 0.33 0.24 -0.11 0.00 -0.61 0.00 0.00 39.78 39.64 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 -0.24 1.42 -0.07 3.10 0.08 -0.76 -5.06 117.98 116.46 3k4m s PHE 613 Ca 0.00 -0.60 0.04 0.00 0.12 0.00 0.00 56.93 56.49 3k4m s PHE 613 Cb 0.00 -0.72 0.00 0.00 -0.57 0.00 0.00 43.02 41.73 3k4m s PHE 613 CO 0.00 0.16 -0.17 0.99 -0.10 0.00 0.00 175.22 176.10 3k4m s THR 614 N -2.51 1.50 0.34 0.64 2.01 -1.26 -4.74 115.64 111.62 3k4m s THR 614 Ca 0.13 -0.72 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 3k4m s THR 614 Cb -0.03 -1.32 -0.11 0.00 0.01 0.00 0.00 72.50 71.05 3k4m s THR 614 CO 0.03 0.43 1.55 -2.65 -0.69 0.00 0.00 174.62 173.29 3k4m n PRO 615 N 3.48 2.70 -1.74 4.92 -0.02 -1.26 -4.94 135.00 138.14 3k4m n PRO 615 Ca -0.20 0.95 -0.38 0.00 -2.02 0.00 0.00 63.50 61.85 3k4m n PRO 615 Cb 0.52 -2.72 0.05 0.00 -0.02 0.00 0.00 33.50 31.34 3k4m n PRO 615 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3k4m n SER 616 N 1.34 2.51 -4.62 2.55 3.41 -1.26 -4.93 113.62 112.62 3k4m n SER 616 Ca 0.05 0.94 -0.46 0.00 -0.26 0.00 0.00 58.87 59.15 3k4m n SER 616 Cb 0.38 -1.57 -0.02 0.00 -0.26 0.00 0.00 64.21 62.73 3k4m n SER 616 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3k4m n PRO 617 N -1.22 1.57 -2.15 4.33 -0.02 -1.26 -4.85 135.00 131.40 3k4m n PRO 617 Ca 0.12 0.55 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 3k4m n PRO 617 Cb 0.45 -2.06 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 3k4m n PRO 617 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3k4m s PHE 618 N -0.57 1.87 0.00 6.00 2.19 -1.26 -5.12 117.98 121.10 3k4m s PHE 618 Ca 0.65 0.47 0.00 0.00 0.33 0.00 0.00 56.93 58.37 3k4m s PHE 618 Cb -0.71 -4.19 0.00 0.00 -1.31 0.00 0.00 43.02 36.80 3k4m s PHE 618 CO 0.55 -2.03 0.01 2.41 1.83 0.00 0.00 175.22 178.00