#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4m s TYR 47 N 0.00 2.34 0.03 5.64 1.51 -0.61 -5.03 117.35 121.24 3k4m s TYR 47 Ca 0.00 -0.45 -0.19 0.00 -1.01 0.00 0.00 57.07 55.42 3k4m s TYR 47 Cb 0.00 -1.24 -0.18 0.00 -0.11 0.00 0.00 41.96 40.42 3k4m s TYR 47 CO 0.00 0.61 1.22 -0.44 -1.11 0.00 0.00 175.55 175.83 3k4m h ASP 48 N 2.12 0.56 -3.61 2.29 3.32 -1.27 -3.12 116.42 116.71 3k4m h ASP 48 Ca -0.41 -0.64 -0.37 0.00 0.02 0.00 0.00 57.03 55.63 3k4m h ASP 48 Cb 1.25 -0.16 -0.32 0.00 0.22 0.00 0.00 39.33 40.32 3k4m h ASP 48 CO 0.67 1.11 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.85 3k4m s VAL 49 N -3.68 0.42 -0.08 -1.35 1.01 -0.99 -1.11 120.40 114.61 3k4m s VAL 49 Ca -0.13 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3k4m s VAL 49 Cb 0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 3k4m s VAL 49 CO 0.81 0.17 -0.12 0.68 0.00 0.00 0.00 175.10 176.65 3k4m s VAL 50 N 0.62 3.25 -0.20 2.92 -7.23 0.27 -0.94 120.40 119.09 3k4m s VAL 50 Ca -0.07 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 59.48 3k4m s VAL 50 Cb -0.11 -2.32 0.03 0.00 0.56 0.00 0.00 36.38 34.54 3k4m s VAL 50 CO -0.00 0.57 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.55 3k4m s ILE 51 N -0.37 2.13 -0.32 -0.62 1.01 0.35 -0.82 121.20 122.56 3k4m s ILE 51 Ca 0.04 -1.09 -0.21 0.00 0.00 0.00 0.00 60.65 59.39 3k4m s ILE 51 Cb -0.12 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 3k4m s ILE 51 CO 0.02 0.40 0.64 -0.69 0.00 0.00 0.00 174.94 175.32 3k4m s VAL 52 N 1.25 4.91 0.00 2.92 1.01 0.15 -0.52 120.40 130.13 3k4m s VAL 52 Ca 0.02 0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3k4m s VAL 52 Cb -0.15 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3k4m s VAL 52 CO -0.11 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.41 3k4m n GLY 53 N 4.46 1.82 0.91 4.51 0.00 0.37 -0.81 105.19 116.45 3k4m n GLY 53 Ca -0.01 -1.48 0.06 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.02 3.52 -2.99 1.61 3.41 -1.26 -4.35 113.62 113.54 3k4m n SER 54 Ca 0.00 -3.18 -0.15 0.00 -0.26 0.00 0.00 58.87 55.28 3k4m n SER 54 Cb 0.00 -0.56 0.11 0.00 -0.26 0.00 0.00 64.21 63.50 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 -0.70 -1.96 0.24 5.00 0.00 -1.26 -2.53 105.19 103.98 3k4m n GLY 55 Ca 0.24 -1.58 0.12 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 0.02 1.61 0.13 -1.92 0.37 132.00 132.20 3k4m h PRO 56 Ca -0.21 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.82 3k4m h PRO 56 Cb 0.61 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.75 3k4m h PRO 56 CO 0.14 0.16 -0.41 0.82 -0.23 0.00 0.00 178.00 178.48 3k4m h ILE 57 N 0.00 1.52 -0.92 -3.56 1.08 -1.91 -0.90 117.51 112.82 3k4m h ILE 57 Ca -0.00 -2.08 0.18 0.00 -0.39 0.00 0.00 64.86 62.57 3k4m h ILE 57 Cb 0.68 2.81 -0.07 0.00 -3.07 0.00 0.00 36.82 37.16 3k4m h ILE 57 CO 0.02 0.58 0.59 1.23 -0.69 0.00 0.00 178.15 179.89 3k4m h GLY 58 N -0.39 1.11 1.85 5.37 0.00 -1.65 -1.80 103.07 107.57 3k4m h GLY 58 Ca -0.06 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 46.88 3k4m h GLY 58 CO 0.08 0.01 -0.78 0.00 0.00 0.00 0.00 176.54 175.85 3k4m h THR 60 N 0.00 0.86 -0.70 0.00 2.02 -0.30 -0.93 112.91 113.86 3k4m h THR 60 Ca -0.03 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.23 3k4m h THR 60 Cb 1.54 0.86 -0.07 0.00 -1.74 0.00 0.00 68.15 68.74 3k4m h THR 60 CO 0.08 0.00 0.36 1.88 0.37 0.00 0.00 175.52 178.21 3k4m h TYR 61 N -0.10 0.64 -0.16 3.16 0.05 -1.12 -2.05 116.97 117.39 3k4m h TYR 61 Ca 0.02 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.81 3k4m h TYR 61 Cb 0.12 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 3k4m h TYR 61 CO -0.12 0.25 0.04 0.00 -1.05 0.00 0.00 178.16 177.28 3k4m h ALA 62 N 1.41 0.21 0.08 3.88 0.00 -1.11 -0.16 119.26 123.58 3k4m h ALA 62 Ca 0.34 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3k4m h ALA 62 Cb 0.33 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3k4m h ALA 62 CO -0.25 -0.14 -0.30 -0.09 0.00 0.00 0.00 179.25 178.46 3k4m h ARG 63 N 0.07 -0.48 -0.93 0.00 2.43 -0.98 0.11 114.38 114.60 3k4m h ARG 63 Ca 0.05 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.35 3k4m h ARG 63 Cb 0.27 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.85 3k4m h ARG 63 CO 0.00 -0.32 0.58 0.93 -1.51 0.00 0.00 179.97 179.64 3k4m h GLU 64 N -0.50 0.94 0.04 0.20 4.39 -1.20 -0.74 114.58 117.72 3k4m h GLU 64 Ca 0.04 -0.06 -0.34 0.00 0.34 0.00 0.00 59.36 59.34 3k4m h GLU 64 Cb 0.55 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 3k4m h GLU 64 CO -0.20 0.62 -1.89 1.28 -1.16 0.00 0.00 179.01 177.66 3k4m n LEU 65 N -4.63 2.29 -0.33 1.33 4.77 -0.09 -2.61 117.00 117.74 3k4m n LEU 65 Ca 0.16 0.26 0.04 0.00 -0.03 0.00 0.00 56.01 56.44 3k4m n LEU 65 Cb 0.27 -0.99 0.23 0.00 -2.33 0.00 0.00 43.42 40.60 3k4m n LEU 65 CO 0.29 0.61 1.25 0.58 -1.33 0.00 0.00 177.39 178.79 3k4m h VAL 66 N -0.50 1.05 0.00 4.08 2.07 -0.88 -1.01 116.25 121.06 3k4m h VAL 66 Ca -0.47 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 3k4m h VAL 66 Cb 1.69 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3k4m h VAL 66 CO -0.13 0.19 -0.14 1.23 0.02 0.00 0.00 177.57 178.74 3k4m h GLY 67 N 1.06 0.00 -3.22 2.17 0.00 -1.22 -1.94 103.07 99.92 3k4m h GLY 67 Ca 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.67 3k4m h GLY 67 CO -0.17 0.00 0.10 0.00 0.00 0.00 0.00 176.54 176.47 3k4m n ALA 68 N -2.18 3.92 -0.98 3.60 0.00 -0.85 -4.96 120.51 119.06 3k4m n ALA 68 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 51.71 3k4m n ALA 68 Cb 0.39 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3k4m n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4m n GLY 69 N 0.27 0.65 3.78 0.00 0.00 -0.73 -4.88 105.19 104.28 3k4m n GLY 69 Ca 0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.69 3.20 -0.41 1.61 1.51 -0.44 -4.61 117.35 115.51 3k4m s TYR 70 Ca 0.00 1.62 -0.19 0.00 -1.01 0.00 0.00 57.07 57.50 3k4m s TYR 70 Cb 0.00 -3.16 0.01 0.00 -0.11 0.00 0.00 41.96 38.71 3k4m s TYR 70 CO 0.00 -0.75 0.53 0.21 -1.11 0.00 0.00 175.55 174.42 3k4m s LYS 71 N -2.56 3.31 0.02 -0.62 2.20 -1.26 -4.35 119.74 116.49 3k4m s LYS 71 Ca 0.59 -0.45 0.09 0.00 -0.36 0.00 0.00 55.97 55.83 3k4m s LYS 71 Cb -0.23 -3.91 -0.03 0.00 -1.51 0.00 0.00 37.83 32.15 3k4m s LYS 71 CO 0.28 -0.84 -0.26 0.08 -0.36 0.00 0.00 175.35 174.25 3k4m s VAL 72 N 2.44 2.12 -0.00 4.02 1.01 -0.67 -0.78 120.40 128.54 3k4m s VAL 72 Ca 0.18 -1.28 0.06 0.00 0.00 0.00 0.00 61.98 60.93 3k4m s VAL 72 Cb -0.16 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 3k4m s VAL 72 CO 0.15 0.45 -0.19 0.00 0.00 0.00 0.00 175.10 175.51 3k4m s ALA 73 N -0.73 1.55 -0.01 5.51 0.00 -0.11 -1.56 121.76 126.40 3k4m s ALA 73 Ca 0.11 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.28 3k4m s ALA 73 Cb -0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 3k4m s ALA 73 CO 0.01 0.37 -0.15 1.41 0.00 0.00 0.00 175.76 177.40 3k4m s MET 74 N -0.59 1.24 -0.08 0.00 1.75 0.46 -0.50 119.30 121.58 3k4m s MET 74 Ca 0.07 -0.54 0.03 0.00 -1.25 0.00 0.00 55.69 54.00 3k4m s MET 74 Cb -0.07 -1.19 -0.02 0.00 2.84 0.00 0.00 34.83 36.38 3k4m s MET 74 CO -0.00 0.33 -0.18 -0.06 -0.65 0.00 0.00 175.02 174.46 3k4m s PHE 75 N -0.35 2.65 -0.01 4.11 0.08 0.33 -0.44 117.98 124.34 3k4m s PHE 75 Ca 0.06 -0.52 0.02 0.00 0.12 0.00 0.00 56.93 56.61 3k4m s PHE 75 Cb -0.06 -1.69 -0.00 0.00 -0.57 0.00 0.00 43.02 40.70 3k4m s PHE 75 CO -0.01 -0.09 -0.08 0.34 -0.10 0.00 0.00 175.22 175.28 3k4m s ASP 76 N -0.17 1.01 0.46 1.36 -1.08 -0.75 -0.48 116.67 117.02 3k4m s ASP 76 Ca -0.02 -0.15 0.25 0.00 -0.52 0.00 0.00 52.55 52.11 3k4m s ASP 76 Cb -0.14 -0.19 1.04 0.00 -1.46 0.00 0.00 42.92 42.18 3k4m s ASP 76 CO 0.03 0.08 1.88 -0.29 0.52 0.00 0.00 175.17 177.39 3k4m h ILE 77 N 5.16 0.56 -5.19 4.11 2.10 -1.84 0.22 117.51 122.63 3k4m h ILE 77 Ca -0.32 -1.00 -0.24 0.00 1.08 0.00 0.00 64.86 64.38 3k4m h ILE 77 Cb 1.18 1.68 0.02 0.00 -1.09 0.00 0.00 36.82 38.60 3k4m h ILE 77 CO 0.49 0.20 -0.02 0.61 -1.08 0.00 0.00 178.15 178.35 3k4m n GLY 78 N -0.03 1.77 3.30 8.18 0.00 -1.26 -3.70 105.19 113.45 3k4m n GLY 78 Ca -0.00 -2.15 -0.16 0.00 0.00 0.00 0.00 46.02 43.70 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 -3.39 1.26 -0.32 1.61 2.02 -1.26 -1.19 118.70 117.43 3k4m s GLU 79 Ca 0.31 -1.61 -0.29 0.00 0.02 0.00 0.00 54.97 53.40 3k4m s GLU 79 Cb -0.02 -0.60 0.02 0.00 0.10 0.00 0.00 34.13 33.63 3k4m s GLU 79 CO 0.20 -0.06 1.07 0.42 0.02 0.00 0.00 175.26 176.91 3k4m s ILE 80 N -3.41 4.52 -0.03 -1.63 1.01 -1.26 -1.78 121.20 118.62 3k4m s ILE 80 Ca 0.25 1.74 0.05 0.00 0.00 0.00 0.00 60.65 62.69 3k4m s ILE 80 Cb 0.05 -4.41 0.07 0.00 0.01 0.00 0.00 42.46 38.18 3k4m s ILE 80 CO 0.06 -0.47 0.94 -0.90 0.00 0.00 0.00 174.94 174.58 3k4m n ASP 81 N 6.85 0.81 0.00 3.58 5.68 -1.26 -5.03 116.55 127.18 3k4m n ASP 81 Ca 0.12 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 3k4m n ASP 81 Cb 0.47 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3k4m n ASP 81 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3k4m n SER 82 N -0.41 0.00 0.00 -1.12 3.41 -1.26 -5.13 113.62 109.11 3k4m n SER 82 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3k4m n SER 82 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 3k4m n SER 82 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k4m n GLY 83 N 5.00 1.64 0.30 5.00 0.00 -1.26 -5.05 105.19 110.83 3k4m n GLY 83 Ca 0.00 -0.68 0.17 0.00 0.00 0.00 0.00 46.02 45.51 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 -8.33 0.99 3.38 -2.02 -3.37 115.31 105.95 3k4m h LEU 84 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 3k4m h LEU 84 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 3k4m h LEU 84 CO 0.00 0.02 0.49 -0.54 0.09 0.00 0.00 178.44 178.50 3k4m s LYS 85 N -4.41 3.17 0.22 1.13 1.02 -1.26 -5.02 119.74 114.59 3k4m s LYS 85 Ca -0.04 -0.69 -0.32 0.00 0.02 0.00 0.00 55.97 54.94 3k4m s LYS 85 Cb 0.14 -4.17 -0.13 0.00 -0.52 0.00 0.00 37.83 33.16 3k4m s LYS 85 CO 0.52 -1.65 1.58 -0.89 -0.92 0.00 0.00 175.35 173.98 3k4m n ILE 86 N 5.96 0.44 -1.57 2.17 5.41 -1.26 -2.49 119.36 128.02 3k4m n ILE 86 Ca -0.03 -0.11 -0.19 0.00 1.00 0.00 0.00 62.75 63.42 3k4m n ILE 86 Cb 0.46 -1.72 -0.08 0.00 -0.71 0.00 0.00 39.64 37.59 3k4m n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3k4m n GLY 87 N 2.99 1.83 3.85 7.39 0.00 -1.26 -4.16 105.19 115.82 3k4m n GLY 87 Ca 0.14 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.72 2.05 -0.18 4.61 0.00 -1.04 -2.71 121.76 121.77 3k4m s ALA 88 Ca 0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 51.96 50.77 3k4m s ALA 88 Cb 0.00 -2.89 -0.00 0.00 0.00 0.00 0.00 23.12 20.23 3k4m s ALA 88 CO 0.00 -2.36 1.06 -1.58 0.00 0.00 0.00 175.76 172.88 3k4m s HIS 89 N -3.58 3.32 -0.63 0.00 2.46 -1.26 -4.53 115.29 111.07 3k4m s HIS 89 Ca 0.69 1.44 0.21 0.00 0.47 0.00 0.00 55.06 57.86 3k4m s HIS 89 Cb -0.08 -3.28 0.88 0.00 -0.13 0.00 0.00 32.58 29.96 3k4m s HIS 89 CO 0.52 -0.59 1.64 1.63 -2.47 0.00 0.00 174.74 175.47 3k4m n LYS 90 N 5.97 0.14 0.01 2.88 5.02 -0.82 -1.85 118.16 129.51 3k4m n LYS 90 Ca 0.11 0.38 0.10 0.00 -2.02 0.00 0.00 58.31 56.88 3k4m n LYS 90 Cb 0.47 -1.77 0.45 0.00 -0.02 0.00 0.00 35.03 34.16 3k4m n LYS 90 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3k4m n LYS 91 N -2.03 0.02 -1.05 1.97 4.81 -1.26 -4.17 118.16 116.45 3k4m n LYS 91 Ca 0.02 0.16 -0.14 0.00 -0.87 0.00 0.00 58.31 57.48 3k4m n LYS 91 Cb 0.21 -1.53 -0.14 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 -1.57 5.47 -4.37 3.14 3.02 -0.77 -4.32 115.26 115.87 3k4m n ASN 92 Ca 0.05 -2.61 -0.28 0.00 -0.03 0.00 0.00 54.58 51.71 3k4m n ASN 92 Cb 0.25 -1.37 -0.13 0.00 -0.61 0.00 0.00 39.78 37.93 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 0.34 2.16 0.17 3.41 -4.23 -1.26 -5.02 115.64 111.20 3k4m s THR 93 Ca 0.61 -1.69 -0.17 0.00 -1.18 0.00 0.00 61.69 59.26 3k4m s THR 93 Cb 0.31 -1.91 0.10 0.00 1.34 0.00 0.00 72.50 72.34 3k4m s THR 93 CO -0.04 0.08 1.67 0.58 -0.54 0.00 0.00 174.62 176.38 3k4m h VAL 94 N 3.94 0.61 -0.70 2.29 2.07 -1.98 -0.11 116.25 122.37 3k4m h VAL 94 Ca -0.50 -0.01 0.13 0.00 0.82 0.00 0.00 66.70 67.15 3k4m h VAL 94 Cb 1.17 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 31.44 3k4m h VAL 94 CO 0.39 0.00 0.25 -0.33 0.02 0.00 0.00 177.57 177.91 3k4m h GLU 95 N 0.02 0.38 -0.01 1.57 4.39 -1.96 -0.86 114.58 118.11 3k4m h GLU 95 Ca 0.20 -0.02 -0.23 0.00 0.34 0.00 0.00 59.36 59.65 3k4m h GLU 95 Cb 0.30 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3k4m h GLU 95 CO -0.41 0.25 -0.94 1.88 -1.16 0.00 0.00 179.01 178.63 3k4m h TYR 96 N 0.39 0.66 0.00 4.33 0.05 -1.67 -0.09 116.97 120.64 3k4m h TYR 96 Ca 0.38 -0.35 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 3k4m h TYR 96 Cb 0.57 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.23 3k4m h TYR 96 CO -0.19 1.17 -0.14 1.96 -1.05 0.00 0.00 178.16 179.91 3k4m h GLN 97 N 0.25 0.00 0.00 4.88 1.08 -0.61 -1.35 115.11 119.36 3k4m h GLN 97 Ca -0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3k4m h GLN 97 Cb 1.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.01 3k4m h GLN 97 CO 0.17 0.14 -0.58 1.63 -0.95 0.00 0.00 178.83 179.24 3k4m n LYS 98 N -3.36 0.11 -3.14 1.46 5.02 -0.37 -4.42 118.16 113.46 3k4m n LYS 98 Ca -0.00 0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 56.11 3k4m n LYS 98 Cb 0.35 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.71 0.08 0.21 4.39 3.02 -0.06 -4.99 115.26 116.21 3k4m n ASN 99 Ca 0.05 -2.91 0.08 0.00 -0.03 0.00 0.00 54.58 51.77 3k4m n ASN 99 Cb 0.37 -0.32 0.43 0.00 -0.61 0.00 0.00 39.78 39.65 3k4m n ASN 99 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3k4m h ILE 100 N 1.73 0.69 0.00 2.41 2.10 -1.49 -2.78 117.51 120.17 3k4m h ILE 100 Ca 0.06 -1.23 -0.07 0.00 1.08 0.00 0.00 64.86 64.70 3k4m h ILE 100 Cb 0.94 1.79 -0.01 0.00 -1.09 0.00 0.00 36.82 38.45 3k4m h ILE 100 CO 0.45 0.27 -0.34 0.44 -1.08 0.00 0.00 178.15 177.89 3k4m h ASP 101 N 0.00 0.00 0.00 2.19 3.32 -1.87 -2.30 116.42 117.76 3k4m h ASP 101 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k4m h ASP 101 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3k4m h ASP 101 CO 0.04 0.34 0.12 0.11 -1.72 0.00 0.00 179.24 178.12 3k4m h LYS 102 N 0.00 0.00 0.00 3.56 1.79 -1.80 -2.71 116.57 117.41 3k4m h LYS 102 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3k4m h LYS 102 Cb 0.67 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.31 3k4m h LYS 102 CO 0.04 0.00 -0.13 0.35 -1.08 0.00 0.00 179.45 178.63 3k4m h PHE 103 N 0.00 0.00 -1.06 -1.35 3.57 -1.58 -2.39 116.94 114.13 3k4m h PHE 103 Ca 0.00 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.80 3k4m h PHE 103 Cb 0.23 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 38.85 3k4m h PHE 103 CO 0.00 0.13 0.65 -0.24 -2.23 0.00 0.00 178.31 176.63 3k4m h VAL 104 N 0.00 0.41 -0.38 1.41 3.04 -1.69 -1.62 116.25 117.41 3k4m h VAL 104 Ca -0.00 -0.13 -0.15 0.00 -1.01 0.00 0.00 66.70 65.41 3k4m h VAL 104 Cb 0.56 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.84 3k4m h VAL 104 CO 0.02 0.07 -0.34 0.78 -1.01 0.00 0.00 177.57 177.08 3k4m h ASN 105 N 0.38 0.92 -0.65 3.17 4.21 -1.68 -1.11 115.58 120.82 3k4m h ASN 105 Ca 0.68 -0.40 0.07 0.00 1.21 0.00 0.00 56.30 57.86 3k4m h ASN 105 Cb 1.64 -0.26 -0.06 0.00 -1.12 0.00 0.00 38.32 38.52 3k4m h ASN 105 CO -0.44 1.17 0.33 0.58 -1.29 0.00 0.00 177.43 177.79 3k4m h VAL 106 N 0.73 0.91 0.21 2.81 2.07 -1.45 -1.54 116.25 119.99 3k4m h VAL 106 Ca 0.07 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3k4m h VAL 106 Cb 0.91 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3k4m h VAL 106 CO 0.08 0.11 -0.10 0.40 0.02 0.00 0.00 177.57 178.08 3k4m h ILE 107 N 0.60 0.80 -0.83 4.57 2.04 -1.16 -2.94 117.51 120.60 3k4m h ILE 107 Ca 0.31 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 66.15 3k4m h ILE 107 Cb 0.26 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 3k4m h ILE 107 CO -0.22 0.01 0.54 1.56 0.00 0.00 0.00 178.15 180.05 3k4m h GLN 108 N -0.32 0.96 0.00 2.37 4.20 -1.09 -1.90 115.11 119.33 3k4m h GLN 108 Ca -0.03 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3k4m h GLN 108 Cb 0.24 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3k4m h GLN 108 CO 0.05 0.63 0.00 0.41 -0.67 0.00 0.00 178.83 179.25 3k4m n GLY 109 N -1.41 -0.73 0.67 3.46 0.00 -0.59 -2.96 105.19 103.63 3k4m n GLY 109 Ca 0.11 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.02 3k4m n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4m n GLN 110 N -1.06 0.02 -3.65 1.61 10.64 -0.74 -4.94 117.38 119.26 3k4m n GLN 110 Ca 0.15 -1.20 -0.39 0.00 -1.83 0.00 0.00 57.00 53.72 3k4m n GLN 110 Cb 0.09 -0.43 -0.10 0.00 -0.86 0.00 0.00 30.24 28.94 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 -0.05 5.25 -0.26 2.61 1.43 -1.04 -3.77 118.68 122.85 3k4m s LEU 111 Ca 0.06 -1.72 -0.09 0.00 -1.03 0.00 0.00 54.13 51.35 3k4m s LEU 111 Cb 0.07 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 3k4m s LEU 111 CO -0.03 -0.57 0.14 -0.04 0.23 0.00 0.00 176.35 176.08 3k4m s MET 112 N 1.33 3.86 0.31 1.70 -1.94 0.50 -4.84 119.30 120.23 3k4m s MET 112 Ca 0.04 -0.37 -0.29 0.00 -1.71 0.00 0.00 55.69 53.36 3k4m s MET 112 Cb -0.24 -3.50 -0.13 0.00 2.01 0.00 0.00 34.83 32.98 3k4m s MET 112 CO -0.00 -0.13 1.34 0.43 -0.01 0.00 0.00 175.02 176.65 3k4m n SER 113 N 4.85 2.84 0.02 3.03 7.64 -1.26 -0.76 113.62 129.97 3k4m n SER 113 Ca -0.15 1.19 -0.13 0.00 1.01 0.00 0.00 58.87 60.79 3k4m n SER 113 Cb 0.52 -1.48 -0.09 0.00 -1.01 0.00 0.00 64.21 62.15 3k4m n SER 113 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3k4m h VAL 114 N 2.74 1.23 -2.54 0.44 2.07 -1.16 -3.45 116.25 115.58 3k4m h VAL 114 Ca -0.46 -1.10 -0.19 0.00 0.82 0.00 0.00 66.70 65.77 3k4m h VAL 114 Cb 1.28 1.94 -0.31 0.00 -1.52 0.00 0.00 31.29 32.67 3k4m h VAL 114 CO 0.67 0.27 -0.50 -0.55 0.02 0.00 0.00 177.57 177.48 3k4m s SER 115 N -5.59 0.34 -0.23 0.57 0.15 -1.26 -4.68 113.70 103.00 3k4m s SER 115 Ca -0.15 0.49 -0.01 0.00 0.70 0.00 0.00 55.95 56.98 3k4m s SER 115 Cb 0.01 0.88 0.02 0.00 -1.71 0.00 0.00 66.02 65.23 3k4m s SER 115 CO 0.63 -0.26 -0.09 -0.69 1.20 0.00 0.00 173.24 174.03 3k4m s VAL 116 N 2.48 2.76 1.05 4.45 1.01 -1.26 -4.78 120.40 126.10 3k4m s VAL 116 Ca 0.04 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 3k4m s VAL 116 Cb -0.13 -2.34 0.22 0.00 0.00 0.00 0.00 36.38 34.13 3k4m s VAL 116 CO -0.11 0.30 1.07 -2.16 0.00 0.00 0.00 175.10 174.20 3k4m s PRO 117 N 1.33 0.04 0.29 2.72 0.04 -1.26 0.74 135.00 138.90 3k4m s PRO 117 Ca 0.02 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 61.49 3k4m s PRO 117 Cb -0.16 -1.67 -0.10 0.00 0.04 0.00 0.00 34.50 32.61 3k4m s PRO 117 CO -0.06 -3.05 1.35 0.08 0.04 0.00 0.00 177.00 175.36 3k4m s VAL 118 N -2.75 2.74 -0.06 -0.36 1.01 -1.26 -4.50 120.40 115.22 3k4m s VAL 118 Ca 0.66 0.69 -0.21 0.00 0.00 0.00 0.00 61.98 63.12 3k4m s VAL 118 Cb -0.21 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3k4m s VAL 118 CO 0.60 0.14 0.62 0.21 0.00 0.00 0.00 175.10 176.67 3k4m s ASN 119 N -0.11 6.91 -0.12 3.32 3.84 -1.26 -4.96 114.94 122.56 3k4m s ASN 119 Ca 0.53 1.09 0.16 0.00 0.21 0.00 0.00 52.86 54.86 3k4m s ASN 119 Cb -0.40 -2.37 0.26 0.00 -0.55 0.00 0.00 41.25 38.19 3k4m s ASN 119 CO 0.48 -0.02 1.14 0.35 -2.79 0.00 0.00 177.10 176.25 3k4m n THR 120 N 3.44 1.64 -2.31 -5.21 -2.24 -1.26 -4.80 114.28 103.53 3k4m n THR 120 Ca -0.04 -2.02 -0.41 0.00 -2.27 0.00 0.00 64.05 59.30 3k4m n THR 120 Cb 0.51 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 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 -2.49 4.45 -0.24 3.22 1.43 -1.26 -5.00 118.68 118.80 3k4m s LEU 121 Ca 0.28 2.34 -0.19 0.00 -1.03 0.00 0.00 54.13 55.54 3k4m s LEU 121 Cb 0.25 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 3k4m s LEU 121 CO 0.02 -0.40 0.55 -0.69 0.23 0.00 0.00 176.35 176.05 3k4m s VAL 122 N -0.29 5.06 -0.45 -1.59 1.01 -1.26 -5.02 120.40 117.86 3k4m s VAL 122 Ca 0.52 0.97 -0.03 0.00 0.00 0.00 0.00 61.98 63.45 3k4m s VAL 122 Cb -0.34 -3.86 0.12 0.00 0.00 0.00 0.00 36.38 32.30 3k4m s VAL 122 CO 0.40 0.10 0.25 -0.69 0.00 0.00 0.00 175.10 175.16 3k4m s VAL 123 N 2.14 3.34 -0.28 2.92 1.01 -1.26 -4.91 120.40 123.35 3k4m s VAL 123 Ca 0.23 -2.28 0.11 0.00 0.00 0.00 0.00 61.98 60.05 3k4m s VAL 123 Cb -0.16 -3.27 0.58 0.00 0.00 0.00 0.00 36.38 33.54 3k4m s VAL 123 CO 0.09 -0.73 1.57 -0.90 0.00 0.00 0.00 175.10 175.13 3k4m n ASP 124 N 4.33 3.56 -0.36 3.32 5.68 -1.26 -4.47 116.55 127.35 3k4m n ASP 124 Ca 0.00 -3.40 0.08 0.00 -0.50 0.00 0.00 54.79 50.96 3k4m n ASP 124 Cb 0.40 -0.65 0.17 0.00 -1.14 0.00 0.00 41.12 39.90 3k4m n ASP 124 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3k4m n THR 125 N -0.73 1.94 -1.49 2.12 -2.24 -1.26 -5.02 114.28 107.61 3k4m n THR 125 Ca 0.34 -2.63 -0.35 0.00 -2.27 0.00 0.00 64.05 59.13 3k4m n THR 125 Cb 1.13 -0.19 0.09 0.00 -2.10 0.00 0.00 70.33 69.27 3k4m n THR 125 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4m s LEU 126 N -2.90 3.39 0.39 3.22 1.43 -1.26 -5.00 118.68 117.95 3k4m s LEU 126 Ca 0.34 2.50 -0.27 0.00 -1.03 0.00 0.00 54.13 55.67 3k4m s LEU 126 Cb 0.32 -4.60 -0.10 0.00 0.03 0.00 0.00 46.19 41.83 3k4m s LEU 126 CO -0.02 -2.27 1.45 -0.55 0.23 0.00 0.00 176.35 175.18 3k4m s SER 127 N -1.73 6.30 0.56 2.29 0.15 -1.26 -4.90 113.70 115.10 3k4m s SER 127 Ca 0.78 2.97 0.27 0.00 0.70 0.00 0.00 55.95 60.67 3k4m s SER 127 Cb -0.33 -2.66 1.50 0.00 -1.71 0.00 0.00 66.02 62.81 3k4m s SER 127 CO 0.44 -0.89 2.02 -0.65 1.20 0.00 0.00 173.24 175.35 3k4m h PRO 128 N 2.89 0.00 0.00 5.44 0.11 -2.00 -1.47 132.00 136.98 3k4m h PRO 128 Ca -0.51 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3k4m h PRO 128 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3k4m h PRO 128 CO 0.64 0.00 -0.13 1.79 -0.21 0.00 0.00 178.00 180.09 3k4m h THR 129 N 0.00 0.30 -4.13 -1.15 1.35 -2.04 -3.46 112.91 103.77 3k4m h THR 129 Ca 0.17 -0.94 -0.47 0.00 -0.55 0.00 0.00 66.41 64.62 3k4m h THR 129 Cb 0.82 1.74 0.03 0.00 -1.73 0.00 0.00 68.15 69.00 3k4m h THR 129 CO -0.00 0.13 0.37 -0.44 -0.25 0.00 0.00 175.52 175.33 3k4m s SER 130 N -6.03 6.32 0.23 5.36 0.01 -0.55 -4.97 113.70 114.08 3k4m s SER 130 Ca 0.02 1.79 -0.30 0.00 1.31 0.00 0.00 55.95 58.77 3k4m s SER 130 Cb 0.09 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.69 3k4m s SER 130 CO 0.61 -0.79 1.25 0.86 0.41 0.00 0.00 173.24 175.58 3k4m s TRP 131 N -2.28 3.31 0.01 2.43 -0.00 -1.26 -4.92 118.94 116.23 3k4m s TRP 131 Ca 0.64 1.38 0.00 0.00 -0.00 0.00 0.00 56.10 58.12 3k4m s TRP 131 Cb -0.14 -3.52 -0.01 0.00 -0.00 0.00 0.00 33.47 29.80 3k4m s TRP 131 CO 0.26 -1.50 -0.01 -1.14 -0.00 0.00 0.00 176.95 174.56 3k4m s GLN 132 N -0.67 0.13 0.35 5.86 0.74 -1.26 -5.12 119.66 119.69 3k4m s GLN 132 Ca 0.52 -0.21 -0.20 0.00 0.05 0.00 0.00 55.36 55.52 3k4m s GLN 132 Cb -0.35 0.01 -0.10 0.00 1.10 0.00 0.00 33.01 33.67 3k4m s GLN 132 CO 0.41 -0.01 0.86 0.00 -0.55 0.00 0.00 175.29 176.00 3k4m s ALA 133 N -0.49 3.19 -0.64 1.58 0.00 -1.26 -4.95 121.76 119.19 3k4m s ALA 133 Ca -0.05 0.30 0.22 0.00 0.00 0.00 0.00 51.96 52.43 3k4m s ALA 133 Cb -0.03 -3.01 -0.14 0.00 0.00 0.00 0.00 23.12 19.93 3k4m s ALA 133 CO -0.00 0.22 0.86 0.43 0.00 0.00 0.00 175.76 177.26 3k4m n SER 134 N -0.17 0.62 -3.86 0.00 7.64 -1.26 -5.00 113.62 111.59 3k4m n SER 134 Ca 0.04 -0.48 -0.10 0.00 1.01 0.00 0.00 58.87 59.35 3k4m n SER 134 Cb 0.53 1.15 -0.06 0.00 -1.01 0.00 0.00 64.21 64.82 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 -3.19 0.06 -1.13 0.44 -4.23 -1.26 -5.08 115.64 101.25 3k4m s THR 135 Ca 0.03 -1.12 -0.13 0.00 -1.18 0.00 0.00 61.69 59.29 3k4m s THR 135 Cb 0.15 -1.68 0.19 0.00 1.34 0.00 0.00 72.50 72.51 3k4m s THR 135 CO 0.85 -0.26 1.28 -0.36 -0.54 0.00 0.00 174.62 175.59 3k4m s PHE 136 N -3.92 3.63 0.63 3.99 0.08 -1.26 -4.99 117.98 116.14 3k4m s PHE 136 Ca 0.13 -2.14 -0.02 0.00 0.12 0.00 0.00 56.93 55.01 3k4m s PHE 136 Cb 0.02 -4.18 0.06 0.00 -0.57 0.00 0.00 43.02 38.35 3k4m s PHE 136 CO -0.02 -1.29 0.89 -0.59 -0.10 0.00 0.00 175.22 174.11 3k4m s PHE 137 N 1.04 2.70 -0.49 0.36 -0.71 -1.26 -4.90 117.98 114.72 3k4m s PHE 137 Ca 0.37 0.11 -0.27 0.00 -1.04 0.00 0.00 56.93 56.10 3k4m s PHE 137 Cb -0.05 -2.96 -0.02 0.00 -1.21 0.00 0.00 43.02 38.78 3k4m s PHE 137 CO -0.04 -1.19 1.84 0.08 -1.34 0.00 0.00 175.22 174.58 3k4m s VAL 138 N -2.99 3.41 0.31 -2.49 1.01 -1.26 -4.76 120.40 113.63 3k4m s VAL 138 Ca 0.60 0.34 0.11 0.00 0.00 0.00 0.00 61.98 63.02 3k4m s VAL 138 Cb -0.10 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 3k4m s VAL 138 CO 0.41 -0.67 -0.14 -0.13 0.00 0.00 0.00 175.10 174.57 3k4m s ARG 139 N 6.47 1.74 -1.10 2.72 0.52 -1.26 -4.89 118.95 123.14 3k4m s ARG 139 Ca 0.73 -1.85 -0.08 0.00 -0.52 0.00 0.00 55.73 54.00 3k4m s ARG 139 Cb -0.17 -1.71 0.07 0.00 0.52 0.00 0.00 34.95 33.66 3k4m s ARG 139 CO 0.26 0.23 0.36 0.09 0.02 0.00 0.00 175.30 176.26 3k4m n ASN 140 N -0.70 -3.00 0.00 0.23 3.02 -1.26 -0.69 115.26 112.86 3k4m n ASN 140 Ca -0.05 -0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 3k4m n ASN 140 Cb 0.62 -2.53 0.00 0.00 -0.61 0.00 0.00 39.78 37.26 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 -0.99 0.58 3.78 7.41 0.00 -1.26 -5.02 105.19 109.69 3k4m n GLY 141 Ca -0.01 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3k4m n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k4m s SER 142 N -2.07 4.78 -0.40 1.61 1.04 0.13 -4.76 113.70 114.03 3k4m s SER 142 Ca 0.00 1.75 -0.07 0.00 0.48 0.00 0.00 55.95 58.11 3k4m s SER 142 Cb 0.00 -2.51 0.08 0.00 0.10 0.00 0.00 66.02 63.69 3k4m s SER 142 CO 0.00 -1.85 0.21 0.21 0.98 0.00 0.00 173.24 172.79 3k4m s ASN 143 N -3.52 5.45 0.48 7.02 2.47 0.23 -4.80 114.94 122.27 3k4m s ASN 143 Ca 0.60 -1.57 0.30 0.00 0.42 0.00 0.00 52.86 52.62 3k4m s ASN 143 Cb -0.16 -1.92 1.63 0.00 -1.45 0.00 0.00 41.25 39.36 3k4m s ASN 143 CO 0.56 -0.49 1.91 1.55 -3.72 0.00 0.00 177.10 176.90 3k4m h PRO 144 N 8.27 0.00 0.00 0.43 0.13 -1.94 -2.38 132.00 136.51 3k4m h PRO 144 Ca -0.21 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.87 3k4m h PRO 144 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3k4m h PRO 144 CO 0.71 0.00 -0.30 0.93 -0.23 0.00 0.00 178.00 179.11 3k4m h GLU 145 N 0.00 0.00 -6.31 0.86 4.39 -1.95 -3.46 114.58 108.11 3k4m h GLU 145 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 3k4m h GLU 145 Cb 0.14 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 3k4m h GLU 145 CO 0.00 0.26 0.89 -1.14 -1.16 0.00 0.00 179.01 177.86 3k4m s GLN 146 N -3.08 4.03 -0.10 2.33 2.00 -0.90 -5.01 119.66 118.93 3k4m s GLN 146 Ca 0.05 1.18 -0.29 0.00 -2.00 0.00 0.00 55.36 54.30 3k4m s GLN 146 Cb 0.06 -3.79 -0.06 0.00 0.80 0.00 0.00 33.01 30.03 3k4m s GLN 146 CO 0.71 -0.96 1.82 0.34 -0.50 0.00 0.00 175.29 176.71 3k4m s ASP 147 N 2.05 6.32 0.38 6.67 -1.08 -1.26 -4.65 116.67 125.10 3k4m s ASP 147 Ca 0.50 2.12 0.27 0.00 -0.52 0.00 0.00 52.55 54.92 3k4m s ASP 147 Cb -0.14 -2.53 1.31 0.00 -1.46 0.00 0.00 42.92 40.10 3k4m s ASP 147 CO 0.18 -1.23 1.82 1.55 0.52 0.00 0.00 175.17 178.01 3k4m h PRO 148 N 11.10 0.00 -0.66 4.34 0.13 -1.95 -2.60 132.00 142.36 3k4m h PRO 148 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3k4m h PRO 148 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3k4m h PRO 148 CO 0.97 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.02 3k4m n LEU 149 N -2.48 3.86 -2.70 1.56 4.77 -1.26 -4.09 117.00 116.66 3k4m n LEU 149 Ca -0.00 -1.90 -0.01 0.00 -0.03 0.00 0.00 56.01 54.07 3k4m n LEU 149 Cb 0.14 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 40.84 3k4m n LEU 149 CO 0.17 0.94 0.01 0.54 -1.33 0.00 0.00 177.39 177.72 3k4m n ARG 150 N 1.61 1.76 -3.81 3.23 1.74 -0.98 -4.97 116.66 115.23 3k4m n ARG 150 Ca 0.23 -3.47 -0.21 0.00 -0.77 0.00 0.00 57.85 53.63 3k4m n ARG 150 Cb 0.62 -1.56 -0.04 0.00 -1.02 0.00 0.00 32.46 30.46 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 -3.69 5.13 -0.89 0.55 2.47 -1.23 -1.05 114.94 116.22 3k4m s ASN 151 Ca 0.29 -0.60 -0.03 0.00 0.42 0.00 0.00 52.86 52.94 3k4m s ASN 151 Cb 0.33 -0.84 0.22 0.00 -1.45 0.00 0.00 41.25 39.51 3k4m s ASN 151 CO -0.04 -0.41 0.79 -0.76 -3.72 0.00 0.00 177.10 172.96 3k4m s LEU 152 N -4.00 5.63 0.25 3.21 1.43 -1.26 -4.80 118.68 119.13 3k4m s LEU 152 Ca 0.42 -3.63 -0.03 0.00 -1.03 0.00 0.00 54.13 49.86 3k4m s LEU 152 Cb -0.05 -1.94 0.29 0.00 0.03 0.00 0.00 46.19 44.53 3k4m s LEU 152 CO 0.26 -0.21 1.75 0.77 0.23 0.00 0.00 176.35 179.15 3k4m h SER 153 N 6.18 0.82 0.06 2.29 4.64 -1.71 -0.08 113.55 125.75 3k4m h SER 153 Ca 0.15 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3k4m h SER 153 Cb 0.83 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3k4m h SER 153 CO 0.86 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 178.30 3k4m n GLY 154 N -0.64 -0.96 3.74 -0.77 0.00 -0.16 -4.80 105.19 101.61 3k4m n GLY 154 Ca 0.03 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 3k4m n GLY 154 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k4m s GLN 155 N -2.06 4.33 0.18 1.61 -1.52 -0.05 -3.31 119.66 118.84 3k4m s GLN 155 Ca 0.42 2.17 -0.06 0.00 -1.95 0.00 0.00 55.36 55.94 3k4m s GLN 155 Cb 0.20 -3.16 -0.02 0.00 -0.22 0.00 0.00 33.01 29.81 3k4m s GLN 155 CO 0.35 -0.35 0.23 0.00 -0.25 0.00 0.00 175.29 175.27 3k4m s ALA 156 N 0.17 0.41 0.14 6.09 0.00 -1.26 -0.59 121.76 126.71 3k4m s ALA 156 Ca 0.59 -1.19 0.06 0.00 0.00 0.00 0.00 51.96 51.42 3k4m s ALA 156 Cb -0.39 1.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 3k4m s ALA 156 CO 0.39 -0.63 -0.14 0.14 0.00 0.00 0.00 175.76 175.52 3k4m s VAL 157 N -4.03 1.41 -0.13 0.00 -7.23 0.06 -4.83 120.40 105.64 3k4m s VAL 157 Ca 0.24 -1.81 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 3k4m s VAL 157 Cb 0.04 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.36 3k4m s VAL 157 CO 0.04 -0.44 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.32 3k4m s THR 158 N -2.29 1.71 -0.64 5.32 2.01 -1.25 -0.37 115.64 120.14 3k4m s THR 158 Ca 0.11 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.38 3k4m s THR 158 Cb -0.04 -1.55 0.16 0.00 0.01 0.00 0.00 72.50 71.07 3k4m s THR 158 CO 0.04 0.48 0.42 -0.13 -0.69 0.00 0.00 174.62 174.74 3k4m s ARG 159 N 1.06 2.38 0.08 4.92 0.52 -1.26 -4.62 118.95 122.03 3k4m s ARG 159 Ca -0.03 -2.91 -0.09 0.00 -0.52 0.00 0.00 55.73 52.17 3k4m s ARG 159 Cb -0.14 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.83 3k4m s ARG 159 CO -0.04 -1.19 0.21 0.14 0.02 0.00 0.00 175.30 174.43 3k4m s VAL 160 N -0.73 0.13 0.15 3.52 -7.23 -1.26 -4.39 120.40 110.59 3k4m s VAL 160 Ca 0.21 -1.07 -0.32 0.00 -1.81 0.00 0.00 61.98 58.98 3k4m s VAL 160 Cb -0.16 -1.22 -0.12 0.00 0.56 0.00 0.00 36.38 35.43 3k4m s VAL 160 CO -0.07 -0.59 1.75 0.52 -0.31 0.00 0.00 175.10 176.40 3k4m n VAL 161 N 0.11 0.18 -0.03 1.32 0.31 -0.73 0.08 118.33 119.57 3k4m n VAL 161 Ca -0.16 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3k4m n VAL 161 Cb 0.62 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 3k4m n VAL 161 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k4m n GLY 162 N 4.00 0.59 7.00 2.92 0.00 -1.05 -4.23 105.19 114.42 3k4m n GLY 162 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3k4m n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4m n GLY 163 N -2.00 1.69 0.28 -0.02 0.00 0.11 -2.54 105.19 102.71 3k4m n GLY 163 Ca 0.00 -0.51 0.16 0.00 0.00 0.00 0.00 46.02 45.68 3k4m n GLY 163 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3k4m h MET 164 N 0.00 0.00 0.00 1.61 2.86 -1.87 -2.66 114.93 114.87 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 0.06 0.00 -1.13 1.06 0.00 0.00 176.91 176.90 3k4m n SER 165 N -3.22 0.00 -0.01 1.22 3.41 -1.05 -0.31 113.62 113.65 3k4m n SER 165 Ca -0.00 -0.45 0.14 0.00 -0.26 0.00 0.00 58.87 58.30 3k4m n SER 165 Cb 0.28 -0.08 0.62 0.00 -0.26 0.00 0.00 64.21 64.77 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 -1.08 0.00 -0.52 6.66 -2.24 -1.00 -4.10 114.28 111.99 3k4m n THR 166 Ca 0.13 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3k4m n THR 166 Cb 0.09 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 3k4m n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4m n HIS 167 N -1.41 0.00 -0.72 4.78 1.44 0.57 -1.95 115.22 117.94 3k4m n HIS 167 Ca 0.09 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.50 3k4m n HIS 167 Cb 0.31 0.00 0.20 0.00 0.12 0.00 0.00 29.99 30.62 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 -0.07 1.62 -0.72 -1.40 1.48 0.37 -4.96 118.94 115.27 3k4m s TRP 168 Ca 0.00 1.46 0.26 0.00 -1.06 0.00 0.00 56.10 56.76 3k4m s TRP 168 Cb 0.00 -3.21 0.72 0.00 -1.16 0.00 0.00 33.47 29.82 3k4m s TRP 168 CO 0.00 -3.17 1.68 2.41 -4.06 0.00 0.00 176.95 173.81 3k4m n THR 169 N -4.46 0.53 -1.04 0.66 -1.04 -1.26 -4.93 114.28 102.73 3k4m n THR 169 Ca 0.07 -0.27 -0.01 0.00 -2.04 0.00 0.00 64.05 61.80 3k4m n THR 169 Cb 0.53 -0.48 -0.01 0.00 -1.82 0.00 0.00 70.33 68.56 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 -1.98 3.63 -0.51 0.00 0.00 -1.26 0.33 121.76 121.96 3k4m s ALA 171 Ca 0.00 0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.59 3k4m s ALA 171 Cb 0.00 -3.67 0.24 0.00 0.00 0.00 0.00 23.12 19.69 3k4m s ALA 171 CO 0.00 -1.28 0.60 0.25 0.00 0.00 0.00 175.76 175.32 3k4m n THR 172 N 5.47 0.60 -2.46 0.00 -2.24 0.14 -4.76 114.28 111.03 3k4m n THR 172 Ca 0.15 -4.50 -0.28 0.00 -2.27 0.00 0.00 64.05 57.15 3k4m n THR 172 Cb 0.44 -2.01 0.00 0.00 -2.10 0.00 0.00 70.33 66.67 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 -1.64 3.53 0.28 -0.78 0.04 -1.26 -4.79 135.00 130.38 3k4m s PRO 173 Ca 0.36 0.31 -0.10 0.00 0.04 0.00 0.00 61.00 61.61 3k4m s PRO 173 Cb 0.14 -2.31 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 3k4m s PRO 173 CO -0.08 -0.31 0.62 1.03 0.04 0.00 0.00 177.00 178.30 3k4m s ARG 174 N -4.85 3.81 0.05 4.56 0.52 -1.26 -4.67 118.95 117.11 3k4m s ARG 174 Ca 0.49 0.34 -0.29 0.00 -0.52 0.00 0.00 55.73 55.76 3k4m s ARG 174 Cb -0.10 -2.57 -0.05 0.00 0.52 0.00 0.00 34.95 32.75 3k4m s ARG 174 CO 0.47 0.22 0.92 -0.06 0.02 0.00 0.00 175.30 176.87 3k4m s PHE 175 N -1.97 3.74 1.12 -0.53 0.40 -1.26 -4.99 117.98 114.49 3k4m s PHE 175 Ca 0.49 1.68 -0.17 0.00 -0.60 0.00 0.00 56.93 58.32 3k4m s PHE 175 Cb -0.11 -3.02 0.25 0.00 0.51 0.00 0.00 43.02 40.65 3k4m s PHE 175 CO 0.23 0.14 1.15 0.16 0.70 0.00 0.00 175.22 177.60 3k4m s ASP 176 N 0.36 1.69 0.19 1.36 -4.77 -1.26 -4.86 116.67 109.38 3k4m s ASP 176 Ca 0.46 0.64 -0.12 0.00 -3.30 0.00 0.00 52.55 50.23 3k4m s ASP 176 Cb -0.22 -0.91 0.11 0.00 -1.09 0.00 0.00 42.92 40.82 3k4m s ASP 176 CO 0.27 -3.65 1.84 0.03 0.70 0.00 0.00 175.17 174.37 3k4m h ARG 177 N -2.26 0.86 -1.08 2.11 3.08 -1.98 -2.18 114.38 112.94 3k4m h ARG 177 Ca -0.46 -0.07 0.30 0.00 0.07 0.00 0.00 59.98 59.83 3k4m h ARG 177 Cb 1.29 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 31.09 3k4m h ARG 177 CO 0.39 0.59 0.75 0.93 -1.07 0.00 0.00 179.97 181.57 3k4m h GLU 178 N 0.87 0.11 -0.02 0.04 5.08 -1.98 -1.49 114.58 117.20 3k4m h GLU 178 Ca 0.23 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3k4m h GLU 178 Cb -0.06 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3k4m h GLU 178 CO -0.05 0.08 -0.43 1.04 -1.00 0.00 0.00 179.01 178.65 3k4m n GLN 179 N -4.33 1.26 -4.58 2.33 6.02 -0.83 -4.88 117.38 112.38 3k4m n GLN 179 Ca 0.24 -1.03 -0.34 0.00 -0.01 0.00 0.00 57.00 55.86 3k4m n GLN 179 Cb 1.07 -1.48 -0.12 0.00 1.02 0.00 0.00 30.24 30.74 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 -2.44 3.00 0.46 -1.09 3.52 -0.56 -4.52 118.95 117.32 3k4m s ARG 180 Ca 0.20 -0.55 -0.24 0.00 -0.13 0.00 0.00 55.73 55.02 3k4m s ARG 180 Cb 0.18 -2.67 -0.07 0.00 -1.56 0.00 0.00 34.95 30.83 3k4m s ARG 180 CO 0.55 0.54 1.23 -1.25 -0.81 0.00 0.00 175.30 175.56 3k4m s PRO 181 N -0.48 3.70 0.32 5.12 0.04 -1.26 -4.95 135.00 137.49 3k4m s PRO 181 Ca 0.07 1.95 -0.28 0.00 0.04 0.00 0.00 61.00 62.78 3k4m s PRO 181 Cb -0.12 -2.47 -0.09 0.00 0.04 0.00 0.00 34.50 31.85 3k4m s PRO 181 CO 0.02 -0.65 1.12 -0.51 0.04 0.00 0.00 177.00 177.03 3k4m s LEU 182 N -2.95 4.43 -0.01 -3.56 1.43 -1.26 -4.90 118.68 111.86 3k4m s LEU 182 Ca 0.63 2.29 0.08 0.00 -1.03 0.00 0.00 54.13 56.10 3k4m s LEU 182 Cb -0.33 -3.76 -0.12 0.00 0.03 0.00 0.00 46.19 42.00 3k4m s LEU 182 CO 0.40 -0.30 0.21 0.18 0.23 0.00 0.00 176.35 177.07 3k4m n LEU 183 N 0.81 0.06 -3.85 1.79 4.77 -1.26 -4.94 117.00 114.38 3k4m n LEU 183 Ca 0.01 -0.08 -0.24 0.00 -0.03 0.00 0.00 56.01 55.67 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 0.53 0.01 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.50 3k4m s VAL 184 N -2.45 0.68 0.36 4.08 1.01 -1.26 -5.03 120.40 117.78 3k4m s VAL 184 Ca -0.02 -0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.61 3k4m s VAL 184 Cb 0.05 -0.75 -0.09 0.00 0.00 0.00 0.00 36.38 35.59 3k4m s VAL 184 CO 0.35 0.30 1.06 -0.75 0.00 0.00 0.00 175.10 176.06 3k4m s LYS 185 N 1.65 4.32 -0.76 2.72 2.20 -1.26 -4.06 119.74 124.54 3k4m s LYS 185 Ca 0.02 1.60 -0.02 0.00 -0.36 0.00 0.00 55.97 57.20 3k4m s LYS 185 Cb -0.13 -2.75 0.02 0.00 -1.51 0.00 0.00 37.83 33.46 3k4m s LYS 185 CO -0.05 -0.02 0.09 -0.25 -0.36 0.00 0.00 175.35 174.76 3k4m n ASP 186 N 0.33 -2.84 -3.14 1.43 8.00 -1.26 -4.83 116.55 114.23 3k4m n ASP 186 Ca 0.03 0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.58 3k4m n ASP 186 Cb 0.48 -2.46 -0.04 0.00 -0.02 0.00 0.00 41.12 39.08 3k4m n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3k4m s ASP 187 N -2.16 -0.11 0.42 -2.24 -1.08 -1.26 -5.04 116.67 105.20 3k4m s ASP 187 Ca 0.09 -1.80 0.18 0.00 -0.52 0.00 0.00 52.55 50.49 3k4m s ASP 187 Cb -0.05 1.04 0.95 0.00 -1.46 0.00 0.00 42.92 43.41 3k4m s ASP 187 CO 0.11 -0.16 1.90 0.00 0.52 0.00 0.00 175.17 177.54 3k4m h ALA 188 N 6.08 1.33 0.11 3.66 0.00 -1.88 -2.28 119.26 126.28 3k4m h ALA 188 Ca 0.10 -0.25 -0.29 0.00 0.00 0.00 0.00 54.91 54.47 3k4m h ALA 188 Cb 1.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3k4m h ALA 188 CO 0.15 0.35 -1.40 -0.44 0.00 0.00 0.00 179.25 177.91 3k4m h ASP 189 N 0.00 0.35 0.02 0.00 3.32 -1.96 -2.23 116.42 115.93 3k4m h ASP 189 Ca -0.00 -0.44 -0.06 0.00 0.02 0.00 0.00 57.03 56.55 3k4m h ASP 189 Cb 0.57 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3k4m h ASP 189 CO 0.04 1.36 -0.16 0.00 -1.72 0.00 0.00 179.24 178.76 3k4m h ALA 190 N 0.59 1.43 -0.10 3.45 0.00 -1.86 -2.49 119.26 120.28 3k4m h ALA 190 Ca -0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3k4m h ALA 190 Cb 1.98 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 3k4m h ALA 190 CO 0.17 0.40 0.02 0.22 0.00 0.00 0.00 179.25 180.06 3k4m h ASP 191 N 0.26 0.15 -0.60 0.00 3.58 -1.31 -1.36 116.42 117.13 3k4m h ASP 191 Ca 0.05 -0.25 0.04 0.00 0.42 0.00 0.00 57.03 57.29 3k4m h ASP 191 Cb 0.44 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 3k4m h ASP 191 CO 0.03 0.36 0.40 0.44 -2.88 0.00 0.00 179.24 177.59 3k4m h ASP 192 N -0.06 0.58 0.24 2.28 3.32 -1.27 0.34 116.42 121.84 3k4m h ASP 192 Ca 0.03 -0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.79 3k4m h ASP 192 Cb 0.27 -0.13 0.02 0.00 0.22 0.00 0.00 39.33 39.71 3k4m h ASP 192 CO 0.00 0.40 -1.20 0.00 -1.72 0.00 0.00 179.24 176.72 3k4m h ALA 193 N 1.66 0.07 -0.06 3.45 0.00 -1.11 0.13 119.26 123.40 3k4m h ALA 193 Ca 0.25 -0.78 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 3k4m h ALA 193 Cb 0.13 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3k4m h ALA 193 CO -0.07 0.75 0.03 1.49 0.00 0.00 0.00 179.25 181.45 3k4m h GLU 194 N 0.24 0.09 -0.47 0.00 4.57 -0.97 -1.06 114.58 116.99 3k4m h GLU 194 Ca -0.16 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 57.96 3k4m h GLU 194 Cb 1.87 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.42 3k4m h GLU 194 CO 0.22 0.19 0.10 -1.49 -1.18 0.00 0.00 179.01 176.85 3k4m h TRP 195 N -0.03 0.73 -0.35 0.92 4.06 -0.78 -1.54 115.95 118.97 3k4m h TRP 195 Ca 0.02 -0.06 -0.10 0.00 2.06 0.00 0.00 58.89 60.81 3k4m h TRP 195 Cb 0.13 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.06 3k4m h TRP 195 CO -0.03 0.63 -0.19 0.22 -3.56 0.00 0.00 178.44 175.50 3k4m h ASP 196 N 0.69 0.66 -0.40 -3.49 3.58 -0.66 0.09 116.42 116.89 3k4m h ASP 196 Ca 0.15 -0.21 -0.08 0.00 0.42 0.00 0.00 57.03 57.31 3k4m h ASP 196 Cb 0.27 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 3k4m h ASP 196 CO -0.00 0.85 -0.06 -0.09 -2.88 0.00 0.00 179.24 177.06 3k4m h ARG 197 N 0.58 0.75 -0.14 0.28 2.43 -0.62 -1.69 114.38 115.97 3k4m h ARG 197 Ca 0.09 -0.27 -0.09 0.00 -0.81 0.00 0.00 59.98 58.90 3k4m h ARG 197 Cb 0.65 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3k4m h ARG 197 CO 0.05 0.87 -0.27 -0.07 -1.51 0.00 0.00 179.97 179.03 3k4m h LEU 198 N 0.57 0.49 -0.88 3.80 3.38 -1.18 -2.37 115.31 119.12 3k4m h LEU 198 Ca 0.11 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 3k4m h LEU 198 Cb 0.57 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3k4m h LEU 198 CO 0.03 0.95 0.41 1.88 0.09 0.00 0.00 178.44 181.80 3k4m h TYR 199 N 0.05 1.22 -0.35 1.13 0.05 -1.00 0.03 116.97 118.10 3k4m h TYR 199 Ca 0.01 -0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.74 3k4m h TYR 199 Cb 0.86 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 3k4m h TYR 199 CO 0.10 0.88 0.21 1.15 -1.05 0.00 0.00 178.16 179.44 3k4m h THR 200 N 1.21 1.04 -0.32 -2.88 2.02 -1.17 0.31 112.91 113.11 3k4m h THR 200 Ca 0.29 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 67.26 3k4m h THR 200 Cb 0.12 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3k4m h THR 200 CO -0.04 0.08 -0.07 0.50 0.37 0.00 0.00 175.52 176.36 3k4m h LYS 201 N 0.42 0.62 -0.03 6.66 3.64 -1.00 -2.19 116.57 124.70 3k4m h LYS 201 Ca 0.14 -0.23 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3k4m h LYS 201 Cb 0.00 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 3k4m h LYS 201 CO -0.07 0.79 -0.17 0.00 -2.27 0.00 0.00 179.45 177.74 3k4m h ALA 202 N 0.80 -0.19 -0.85 5.00 0.00 -0.56 -0.09 119.26 123.37 3k4m h ALA 202 Ca 0.08 0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.23 3k4m h ALA 202 Cb 0.56 0.31 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 3k4m h ALA 202 CO 0.03 -0.66 0.20 0.93 0.00 0.00 0.00 179.25 179.75 3k4m h GLU 203 N -0.27 0.20 -0.01 0.00 5.08 -0.33 0.34 114.58 119.59 3k4m h GLU 203 Ca 0.06 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3k4m h GLU 203 Cb 0.35 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3k4m h GLU 203 CO -0.19 0.13 -0.58 0.66 -1.00 0.00 0.00 179.01 178.04 3k4m h SER 204 N 0.20 0.03 -0.37 1.42 4.64 -0.68 0.13 113.55 118.91 3k4m h SER 204 Ca 0.52 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.76 3k4m h SER 204 Cb 1.02 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 3k4m h SER 204 CO -0.64 0.60 0.00 1.88 -0.87 0.00 0.00 176.83 177.80 3k4m h TYR 205 N 0.02 0.79 0.00 4.77 -1.99 0.84 -3.11 116.97 118.29 3k4m h TYR 205 Ca -0.01 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.62 3k4m h TYR 205 Cb 1.02 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.54 3k4m h TYR 205 CO 0.00 0.74 -0.54 0.74 -0.00 0.00 0.00 178.16 179.10 3k4m h PHE 206 N 0.70 0.00 -5.79 4.88 0.04 -0.92 -3.30 116.94 112.55 3k4m h PHE 206 Ca 0.14 0.00 -0.40 0.00 2.80 0.00 0.00 57.97 60.51 3k4m h PHE 206 Cb 0.43 0.00 0.14 0.00 2.20 0.00 0.00 35.95 38.71 3k4m h PHE 206 CO 0.02 0.00 -0.68 1.04 -0.60 0.00 0.00 178.31 178.10 3k4m n GLN 207 N -2.20 -7.89 -1.77 1.51 1.13 0.38 -4.09 117.38 104.45 3k4m n GLN 207 Ca 0.03 0.83 -0.41 0.00 -1.94 0.00 0.00 57.00 55.51 3k4m n GLN 207 Cb 0.45 -5.88 0.00 0.00 0.11 0.00 0.00 30.24 24.92 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 -5.00 2.10 -3.92 5.09 -1.04 -0.82 -2.85 114.28 107.84 3k4m n THR 208 Ca 0.01 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.43 3k4m n THR 208 Cb 0.56 -1.92 -0.04 0.00 -1.82 0.00 0.00 70.33 67.11 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 -0.19 0.24 -0.05 3.41 0.00 -0.37 -4.89 107.32 105.47 3k4m s GLY 209 Ca 0.54 -0.60 0.07 0.00 0.00 0.00 0.00 44.72 44.74 3k4m s GLY 209 CO 0.63 -0.39 1.03 -1.30 0.00 0.00 0.00 173.10 173.06 3k4m n THR 210 N -0.40 0.79 -0.08 0.90 -2.24 -1.26 -1.50 114.28 110.48 3k4m n THR 210 Ca -0.03 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 3k4m n THR 210 Cb 0.61 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3k4m n THR 210 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k4m n ASP 211 N -0.59 1.25 0.11 3.42 5.75 -1.26 -4.65 116.55 120.59 3k4m n ASP 211 Ca 0.06 -1.33 0.12 0.00 -0.01 0.00 0.00 54.79 53.64 3k4m n ASP 211 Cb 0.64 0.00 0.46 0.00 -1.03 0.00 0.00 41.12 41.19 3k4m n ASP 211 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k4m n GLN 212 N -0.16 0.21 -0.27 0.11 3.00 -1.26 -3.13 117.38 115.87 3k4m n GLN 212 Ca 0.00 0.34 0.07 0.00 -0.01 0.00 0.00 57.00 57.40 3k4m n GLN 212 Cb 0.11 -1.83 0.19 0.00 0.00 0.00 0.00 30.24 28.71 3k4m n GLN 212 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3k4m n PHE 213 N -2.20 0.56 0.26 1.08 3.01 -1.26 -4.83 117.46 114.07 3k4m n PHE 213 Ca 0.03 -0.78 0.14 0.00 1.01 0.00 0.00 57.45 57.85 3k4m n PHE 213 Cb 0.30 -0.19 0.65 0.00 -0.01 0.00 0.00 39.48 40.22 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 1.32 0.00 -0.51 -1.08 2.10 -1.88 -1.34 116.57 115.18 3k4m h LYS 214 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3k4m h LYS 214 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3k4m h LYS 214 CO 0.11 0.12 0.00 0.39 -2.00 0.00 0.00 179.45 178.07 3k4m n GLU 215 N -3.36 4.21 -2.85 0.07 1.02 -1.26 -4.89 120.64 113.58 3k4m n GLU 215 Ca -0.01 -3.02 -0.42 0.00 -0.02 0.00 0.00 57.16 53.69 3k4m n GLU 215 Cb 0.32 -2.09 -0.04 0.00 -0.02 0.00 0.00 31.44 29.61 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 -1.09 7.00 0.22 1.62 0.15 -0.51 -4.91 113.70 116.19 3k4m s SER 216 Ca 0.51 1.23 -0.07 0.00 0.70 0.00 0.00 55.95 58.31 3k4m s SER 216 Cb 0.38 -2.47 0.19 0.00 -1.71 0.00 0.00 66.02 62.41 3k4m s SER 216 CO 0.16 -0.42 1.83 0.40 1.20 0.00 0.00 173.24 176.41 3k4m h ILE 217 N 5.20 1.26 -0.09 6.45 2.04 -1.89 -1.15 117.51 129.33 3k4m h ILE 217 Ca -0.29 -0.69 -0.16 0.00 1.00 0.00 0.00 64.86 64.72 3k4m h ILE 217 Cb 1.13 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3k4m h ILE 217 CO 0.85 0.30 -0.64 0.03 0.00 0.00 0.00 178.15 178.69 3k4m h ARG 218 N 1.22 0.34 -0.68 2.37 3.08 -1.91 -0.59 114.38 118.21 3k4m h ARG 218 Ca 0.30 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3k4m h ARG 218 Cb 0.08 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3k4m h ARG 218 CO -0.04 0.87 0.24 1.25 -1.07 0.00 0.00 179.97 181.22 3k4m h HIS 219 N 0.25 1.07 0.02 3.04 2.76 -1.72 -2.48 115.15 118.09 3k4m h HIS 219 Ca -0.01 -0.10 -0.22 0.00 -2.20 0.00 0.00 60.37 57.85 3k4m h HIS 219 Cb 1.17 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.80 3k4m h HIS 219 CO 0.03 0.85 -1.01 -0.91 -1.30 0.00 0.00 177.93 175.59 3k4m h ASN 220 N 0.99 0.10 0.06 3.26 2.35 -1.11 0.29 115.58 121.52 3k4m h ASN 220 Ca 0.22 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3k4m h ASN 220 Cb 0.26 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3k4m h ASN 220 CO -0.01 1.04 -0.08 0.25 -1.65 0.00 0.00 177.43 176.98 3k4m h LEU 221 N 0.02 -0.21 0.07 1.61 5.85 -0.99 0.76 115.31 122.43 3k4m h LEU 221 Ca -0.04 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3k4m h LEU 221 Cb 1.74 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.85 3k4m h LEU 221 CO 0.14 -0.12 -0.03 0.58 -0.34 0.00 0.00 178.44 178.67 3k4m h VAL 222 N -0.16 1.16 -0.33 1.05 2.07 -1.45 -2.00 116.25 116.59 3k4m h VAL 222 Ca 0.01 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 66.76 3k4m h VAL 222 Cb 0.17 1.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.57 3k4m h VAL 222 CO -0.04 0.21 -0.29 0.25 0.02 0.00 0.00 177.57 177.72 3k4m h LEU 223 N -0.48 -0.96 -0.68 2.57 5.85 -0.90 -1.74 115.31 118.97 3k4m h LEU 223 Ca -0.01 0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 3k4m h LEU 223 Cb 0.41 0.45 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 3k4m h LEU 223 CO 0.02 -0.31 0.18 0.78 -0.34 0.00 0.00 178.44 178.76 3k4m h ASN 224 N -0.26 1.02 -0.49 1.25 2.35 -0.88 -0.63 115.58 117.93 3k4m h ASN 224 Ca 0.16 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 3k4m h ASN 224 Cb 0.51 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3k4m h ASN 224 CO -0.47 0.98 0.12 0.50 -1.65 0.00 0.00 177.43 176.91 3k4m h LYS 225 N 1.01 0.79 -0.04 0.81 1.63 -0.84 -2.12 116.57 117.81 3k4m h LYS 225 Ca 0.21 -0.19 -0.24 0.00 -0.85 0.00 0.00 60.65 59.58 3k4m h LYS 225 Cb 0.35 -0.10 0.01 0.00 -0.60 0.00 0.00 32.23 31.89 3k4m h LYS 225 CO 0.00 0.76 -0.95 -0.07 -3.45 0.00 0.00 179.45 175.74 3k4m h LEU 226 N 0.67 0.81 -0.95 5.20 3.38 -1.23 -1.30 115.31 121.89 3k4m h LEU 226 Ca 0.15 -0.61 0.17 0.00 0.09 0.00 0.00 57.88 57.68 3k4m h LEU 226 Cb 0.32 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 3k4m h LEU 226 CO 0.00 1.41 0.54 0.74 0.09 0.00 0.00 178.44 181.23 3k4m h THR 227 N 0.38 0.72 0.13 0.22 2.02 -1.07 -0.47 112.91 114.84 3k4m h THR 227 Ca -0.10 -0.25 -0.30 0.00 0.77 0.00 0.00 66.41 66.53 3k4m h THR 227 Cb 1.59 -0.06 0.03 0.00 -1.74 0.00 0.00 68.15 67.96 3k4m h THR 227 CO 0.18 0.13 -1.26 -0.08 0.37 0.00 0.00 175.52 174.86 3k4m h GLU 228 N 0.72 0.63 0.00 6.66 4.81 -1.02 -2.80 114.58 123.58 3k4m h GLU 228 Ca 0.53 -0.85 -0.05 0.00 -0.13 0.00 0.00 59.36 58.87 3k4m h GLU 228 Cb 0.79 0.28 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 3k4m h GLU 228 CO -0.37 1.39 -0.22 0.93 -0.73 0.00 0.00 179.01 180.00 3k4m h GLU 229 N 0.27 0.00 -0.46 1.92 4.39 -0.79 -2.54 114.58 117.36 3k4m h GLU 229 Ca -0.19 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.30 3k4m h GLU 229 Cb 1.93 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 30.46 3k4m h GLU 229 CO 0.24 0.22 0.07 0.66 -1.16 0.00 0.00 179.01 179.05 3k4m n TYR 230 N -4.12 1.47 -1.95 4.33 4.02 -0.23 -5.01 117.16 115.68 3k4m n TYR 230 Ca -0.02 -1.49 -0.42 0.00 -0.01 0.00 0.00 57.90 55.96 3k4m n TYR 230 Cb 0.29 -0.55 -0.03 0.00 -0.02 0.00 0.00 39.34 39.03 3k4m n TYR 230 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3k4m s LYS 231 N -3.17 4.22 -0.58 -0.72 2.20 -0.96 -0.58 119.74 120.16 3k4m s LYS 231 Ca 0.47 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 58.44 3k4m s LYS 231 Cb 0.41 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 3k4m s LYS 231 CO 0.04 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 3k4m n GLY 232 N 3.02 0.63 0.58 5.54 0.00 -1.26 -4.81 105.19 108.90 3k4m n GLY 232 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.84 0.00 -3.90 1.61 6.02 0.26 -5.10 117.38 115.43 3k4m n GLN 233 Ca -0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.83 3k4m n GLN 233 Cb 0.43 -0.67 -0.12 0.00 1.02 0.00 0.00 30.24 30.90 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 -1.93 0.25 -0.14 -1.09 0.52 -0.86 -5.12 118.95 110.58 3k4m s ARG 234 Ca 0.00 -0.27 -0.07 0.00 -0.52 0.00 0.00 55.73 54.88 3k4m s ARG 234 Cb 0.00 0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.53 3k4m s ARG 234 CO 0.00 -0.05 0.11 -0.51 0.02 0.00 0.00 175.30 174.87 3k4m s ASP 235 N -0.81 6.11 0.07 0.23 1.01 -1.26 -4.69 116.67 117.32 3k4m s ASP 235 Ca -0.09 0.34 0.10 0.00 0.71 0.00 0.00 52.55 53.60 3k4m s ASP 235 Cb -0.05 -1.98 -0.03 0.00 1.01 0.00 0.00 42.92 41.87 3k4m s ASP 235 CO 0.00 0.34 -0.26 -0.36 0.21 0.00 0.00 175.17 175.09 3k4m s PHE 236 N -0.60 2.32 0.33 4.23 0.40 -1.26 -4.11 117.98 119.30 3k4m s PHE 236 Ca 0.12 -0.40 -0.16 0.00 -0.60 0.00 0.00 56.93 55.89 3k4m s PHE 236 Cb -0.12 -1.35 0.03 0.00 0.51 0.00 0.00 43.02 42.09 3k4m s PHE 236 CO 0.02 0.19 0.69 1.14 0.70 0.00 0.00 175.22 177.96 3k4m s GLN 237 N -1.47 1.97 0.44 0.44 -2.07 -0.23 -4.98 119.66 113.77 3k4m s GLN 237 Ca 0.12 -1.30 -0.25 0.00 -1.82 0.00 0.00 55.36 52.11 3k4m s GLN 237 Cb -0.10 0.58 -0.08 0.00 -1.09 0.00 0.00 33.01 32.32 3k4m s GLN 237 CO 0.03 -0.89 1.39 -1.14 -1.32 0.00 0.00 175.29 173.36 3k4m s GLN 238 N -3.13 3.73 0.12 9.60 0.74 -1.26 -0.93 119.66 128.53 3k4m s GLN 238 Ca 0.17 2.34 -0.33 0.00 0.05 0.00 0.00 55.36 57.58 3k4m s GLN 238 Cb -0.04 -2.66 -0.13 0.00 1.10 0.00 0.00 33.01 31.28 3k4m s GLN 238 CO 0.11 -0.75 1.70 -0.89 -0.55 0.00 0.00 175.29 174.91 3k4m n ILE 239 N -0.16 0.16 -2.03 -2.34 5.41 0.15 -4.66 119.36 115.90 3k4m n ILE 239 Ca 0.05 -0.03 -0.42 0.00 1.00 0.00 0.00 62.75 63.35 3k4m n ILE 239 Cb 0.42 -1.79 -0.03 0.00 -0.71 0.00 0.00 39.64 37.53 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 1.81 4.26 -0.03 0.38 0.02 -1.26 -4.77 135.00 135.41 3k4m s PRO 240 Ca 0.81 2.25 0.02 0.00 0.02 0.00 0.00 61.00 64.10 3k4m s PRO 240 Cb -0.61 -3.18 0.01 0.00 0.02 0.00 0.00 34.50 30.74 3k4m s PRO 240 CO 0.39 -0.53 -0.06 -0.51 -0.33 0.00 0.00 177.00 175.95 3k4m s LEU 241 N 1.01 1.63 -0.66 -5.54 1.43 -0.56 -0.69 118.68 115.30 3k4m s LEU 241 Ca 0.67 -0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 53.40 3k4m s LEU 241 Cb -0.41 -0.46 0.07 0.00 0.03 0.00 0.00 46.19 45.42 3k4m s LEU 241 CO 0.32 0.01 0.95 0.00 0.23 0.00 0.00 176.35 177.86 3k4m s ALA 242 N 0.46 3.13 -0.28 4.21 0.00 0.15 -1.24 121.76 128.19 3k4m s ALA 242 Ca -0.06 -1.86 -0.26 0.00 0.00 0.00 0.00 51.96 49.78 3k4m s ALA 242 Cb -0.10 -3.84 0.15 0.00 0.00 0.00 0.00 23.12 19.32 3k4m s ALA 242 CO 0.00 -2.76 1.19 0.00 0.00 0.00 0.00 175.76 174.19 3k4m s ALA 243 N 4.00 -2.06 -0.19 0.00 0.00 -1.13 -1.32 121.76 121.05 3k4m s ALA 243 Ca 0.22 1.79 0.01 0.00 0.00 0.00 0.00 51.96 53.97 3k4m s ALA 243 Cb -0.17 -1.51 0.04 0.00 0.00 0.00 0.00 23.12 21.47 3k4m s ALA 243 CO 0.10 -0.19 -0.12 0.99 0.00 0.00 0.00 175.76 176.54 3k4m s THR 244 N 0.01 1.68 0.33 0.00 2.01 0.32 -4.62 115.64 115.37 3k4m s THR 244 Ca 0.05 -0.95 -0.29 0.00 0.31 0.00 0.00 61.69 60.81 3k4m s THR 244 Cb -0.05 -1.70 -0.10 0.00 0.01 0.00 0.00 72.50 70.66 3k4m s THR 244 CO -0.09 0.25 1.28 -0.60 -0.69 0.00 0.00 174.62 174.77 3k4m s ARG 245 N 1.39 4.39 -0.04 4.92 3.52 -1.26 -1.70 118.95 130.17 3k4m s ARG 245 Ca 0.00 2.16 0.04 0.00 -0.13 0.00 0.00 55.73 57.81 3k4m s ARG 245 Cb -0.15 -3.08 -0.06 0.00 -1.56 0.00 0.00 34.95 30.09 3k4m s ARG 245 CO -0.09 -0.14 0.03 0.54 -0.81 0.00 0.00 175.30 174.83 3k4m n ARG 246 N 0.84 2.91 -3.89 5.12 5.12 -0.27 -4.87 116.66 121.63 3k4m n ARG 246 Ca -0.00 -0.01 -0.08 0.00 -1.93 0.00 0.00 57.85 55.84 3k4m n ARG 246 Cb 0.42 -1.12 -0.03 0.00 -1.16 0.00 0.00 32.46 30.57 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 -3.50 -0.21 0.46 0.55 1.04 -1.07 -4.96 113.70 106.01 3k4m s SER 247 Ca -0.02 -0.70 0.31 0.00 0.48 0.00 0.00 55.95 56.01 3k4m s SER 247 Cb 0.02 0.70 1.68 0.00 0.10 0.00 0.00 66.02 68.51 3k4m s SER 247 CO 0.20 -1.31 1.95 -0.65 0.98 0.00 0.00 173.24 174.42 3k4m h PRO 248 N 2.06 0.00 0.00 4.02 0.11 -2.00 -2.52 132.00 133.67 3k4m h PRO 248 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3k4m h PRO 248 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3k4m h PRO 248 CO 0.26 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.30 3k4m n THR 249 N -2.59 0.72 -3.89 -1.15 -2.24 -1.26 -4.85 114.28 99.01 3k4m n THR 249 Ca -0.02 -0.75 -0.22 0.00 -2.27 0.00 0.00 64.05 60.79 3k4m n THR 249 Cb 0.05 0.66 -0.17 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.72 0.68 -0.24 4.78 2.19 -0.95 -4.92 117.98 118.80 3k4m s PHE 250 Ca 0.00 -0.18 -0.03 0.00 0.33 0.00 0.00 56.93 57.05 3k4m s PHE 250 Cb 0.00 -0.74 0.01 0.00 -1.31 0.00 0.00 43.02 40.98 3k4m s PHE 250 CO 0.00 -0.28 -0.03 0.08 1.83 0.00 0.00 175.22 176.82 3k4m s VAL 251 N 1.61 3.26 -0.55 3.12 1.01 -1.26 -1.12 120.40 126.47 3k4m s VAL 251 Ca -0.00 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 3k4m s VAL 251 Cb -0.13 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 3k4m s VAL 251 CO -0.04 0.27 1.59 -0.70 0.00 0.00 0.00 175.10 176.23 3k4m s GLU 252 N 1.42 3.11 0.26 2.72 2.12 -0.69 -4.83 118.70 122.81 3k4m s GLU 252 Ca 0.03 0.61 -0.27 0.00 0.36 0.00 0.00 54.97 55.70 3k4m s GLU 252 Cb -0.16 -4.21 -0.09 0.00 0.26 0.00 0.00 34.13 29.93 3k4m s GLU 252 CO -0.03 -2.16 0.91 -1.58 -0.54 0.00 0.00 175.26 171.86 3k4m s TRP 253 N 7.02 3.85 0.63 5.30 0.52 -1.26 -0.52 118.94 134.48 3k4m s TRP 253 Ca 0.60 1.80 -0.15 0.00 0.02 0.00 0.00 56.10 58.37 3k4m s TRP 253 Cb -0.13 -2.91 -0.02 0.00 -1.15 0.00 0.00 33.47 29.26 3k4m s TRP 253 CO 0.25 0.37 1.07 -1.12 0.02 0.00 0.00 176.95 177.53 3k4m s SER 254 N -1.37 5.56 0.00 2.95 0.01 -0.44 -4.54 113.70 115.87 3k4m s SER 254 Ca 0.44 1.82 0.00 0.00 1.31 0.00 0.00 55.95 59.51 3k4m s SER 254 Cb -0.22 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.48 3k4m s SER 254 CO 0.27 -1.32 0.00 -1.54 0.41 0.00 0.00 173.24 171.06 3k4m n SER 255 N -2.33 0.00 -0.26 2.44 3.41 -1.26 -4.72 113.62 110.89 3k4m n SER 255 Ca 0.09 -0.75 0.07 0.00 -0.26 0.00 0.00 58.87 58.01 3k4m n SER 255 Cb 0.53 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.68 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 1.91 1.10 -1.00 7.33 0.00 -1.77 -1.67 119.26 125.16 3k4m h ALA 256 Ca 0.00 0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.15 3k4m h ALA 256 Cb 0.00 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 3k4m h ALA 256 CO 0.00 -0.26 0.64 -0.97 0.00 0.00 0.00 179.25 178.66 3k4m h ASN 257 N 0.40 0.95 -0.57 0.00 -0.73 -1.62 0.21 115.58 114.22 3k4m h ASN 257 Ca 0.44 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.64 3k4m h ASN 257 Cb 0.71 -0.16 -0.03 0.00 0.27 0.00 0.00 38.32 39.12 3k4m h ASN 257 CO -0.45 0.54 0.32 0.74 -0.37 0.00 0.00 177.43 178.21 3k4m h THR 258 N 1.04 1.18 -0.40 -3.57 2.02 -1.63 -2.79 112.91 108.77 3k4m h THR 258 Ca 0.48 -0.45 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 3k4m h THR 258 Cb 0.41 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3k4m h THR 258 CO -0.24 0.19 0.06 0.58 0.37 0.00 0.00 175.52 176.49 3k4m h VAL 259 N 0.77 1.24 -1.97 3.16 2.07 -0.87 -3.45 116.25 117.21 3k4m h VAL 259 Ca 0.20 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3k4m h VAL 259 Cb 0.02 1.05 -0.21 0.00 -1.52 0.00 0.00 31.29 30.63 3k4m h VAL 259 CO -0.03 0.30 0.11 0.12 0.02 0.00 0.00 177.57 178.09 3k4m s PHE 260 N -5.18 -0.87 -1.72 1.57 5.36 0.55 -4.76 117.98 112.94 3k4m s PHE 260 Ca -0.13 1.95 0.30 0.00 -0.96 0.00 0.00 56.93 58.08 3k4m s PHE 260 Cb 0.10 0.41 1.40 0.00 -0.34 0.00 0.00 43.02 44.59 3k4m s PHE 260 CO 0.78 -0.43 1.96 -0.40 -1.46 0.00 0.00 175.22 175.67 3k4m n ASP 261 N 3.30 0.36 -0.04 6.13 5.68 -1.21 -3.88 116.55 126.89 3k4m n ASP 261 Ca -0.16 -0.62 -0.01 0.00 -0.50 0.00 0.00 54.79 53.50 3k4m n ASP 261 Cb 0.57 -0.10 -0.00 0.00 -1.14 0.00 0.00 41.12 40.44 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 -0.96 0.66 -4.77 -2.12 4.77 -1.26 -4.30 117.00 109.02 3k4m n LEU 262 Ca 0.16 0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.77 3k4m n LEU 262 Cb 0.25 -1.96 -0.03 0.00 -2.33 0.00 0.00 43.42 39.34 3k4m n LEU 262 CO 0.22 -0.73 0.81 -1.10 -1.33 0.00 0.00 177.39 175.26 3k4m s GLN 263 N -1.52 4.34 0.55 3.23 -1.52 -1.26 -4.76 119.66 118.72 3k4m s GLN 263 Ca 0.00 1.79 -0.20 0.00 -1.95 0.00 0.00 55.36 55.01 3k4m s GLN 263 Cb 0.00 -2.89 -0.06 0.00 -0.22 0.00 0.00 33.01 29.84 3k4m s GLN 263 CO 0.00 -0.06 1.15 -0.80 -0.25 0.00 0.00 175.29 175.33 3k4m s ASN 264 N -1.06 5.66 -0.04 5.90 -0.87 -1.26 -4.87 114.94 118.40 3k4m s ASN 264 Ca 0.51 2.23 -0.04 0.00 -1.57 0.00 0.00 52.86 53.99 3k4m s ASN 264 Cb -0.30 -2.59 0.01 0.00 -0.02 0.00 0.00 41.25 38.35 3k4m s ASN 264 CO 0.39 -1.26 0.12 -0.13 -2.57 0.00 0.00 177.10 173.64 3k4m s ARG 265 N -3.24 0.17 0.39 -0.60 0.52 -0.34 -4.39 118.95 111.46 3k4m s ARG 265 Ca 0.73 0.10 -0.24 0.00 -0.52 0.00 0.00 55.73 55.80 3k4m s ARG 265 Cb -0.25 0.08 -0.09 0.00 0.52 0.00 0.00 34.95 35.20 3k4m s ARG 265 CO 0.29 -0.02 1.01 -1.25 0.02 0.00 0.00 175.30 175.34 3k4m s PRO 266 N -0.09 4.23 0.20 3.54 0.04 -0.59 -0.54 135.00 141.79 3k4m s PRO 266 Ca -0.02 1.41 -0.03 0.00 0.04 0.00 0.00 61.00 62.40 3k4m s PRO 266 Cb -0.02 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 3k4m s PRO 266 CO 0.00 -0.06 0.17 0.54 0.04 0.00 0.00 177.00 177.69 3k4m s ASN 267 N -1.70 0.13 0.23 6.66 2.20 -0.64 -4.93 114.94 116.89 3k4m s ASN 267 Ca 0.58 -1.29 -0.08 0.00 -0.94 0.00 0.00 52.86 51.12 3k4m s ASN 267 Cb -0.19 0.40 0.36 0.00 -2.00 0.00 0.00 41.25 39.82 3k4m s ASN 267 CO 0.24 -0.87 1.32 0.41 -2.94 0.00 0.00 177.10 175.26 3k4m n THR 268 N -0.26 -0.37 0.16 0.54 -1.04 -1.26 -0.30 114.28 111.74 3k4m n THR 268 Ca 0.00 1.95 0.04 0.00 -2.04 0.00 0.00 64.05 64.01 3k4m n THR 268 Cb 0.65 -2.68 0.14 0.00 -1.82 0.00 0.00 70.33 66.63 3k4m n THR 268 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3k4m h ASP 269 N 0.00 0.00 -2.05 8.00 3.32 -2.00 -3.38 116.42 120.31 3k4m h ASP 269 Ca 0.39 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.89 3k4m h ASP 269 Cb 0.60 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 39.78 3k4m h ASP 269 CO -0.87 0.43 -1.02 0.00 -1.72 0.00 0.00 179.24 176.06 3k4m n ALA 270 N -2.23 2.36 0.99 3.45 0.00 0.58 -4.98 120.51 120.68 3k4m n ALA 270 Ca 0.01 -3.15 0.13 0.00 0.00 0.00 0.00 53.44 50.43 3k4m n ALA 270 Cb 0.65 -0.82 0.60 0.00 0.00 0.00 0.00 19.45 19.88 3k4m n ALA 270 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3k4m n PRO 271 N 2.02 0.03 -0.32 0.00 -0.04 0.16 -1.63 135.00 135.22 3k4m n PRO 271 Ca 0.24 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.81 3k4m n PRO 271 Cb 0.51 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.74 3k4m n PRO 271 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3k4m n GLU 272 N -1.48 2.87 -4.23 0.54 -0.58 -1.26 -4.67 120.64 111.82 3k4m n GLU 272 Ca 0.07 -2.46 -0.23 0.00 -0.42 0.00 0.00 57.16 54.12 3k4m n GLU 272 Cb 0.32 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.64 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 -1.11 2.50 -0.18 3.49 2.02 -1.12 -4.88 118.70 119.44 3k4m s GLU 273 Ca 0.40 -1.28 -0.04 0.00 0.02 0.00 0.00 54.97 54.06 3k4m s GLU 273 Cb 0.21 -2.30 0.06 0.00 0.10 0.00 0.00 34.13 32.20 3k4m s GLU 273 CO 0.26 0.38 0.07 1.03 0.02 0.00 0.00 175.26 177.02 3k4m s ARG 274 N -3.68 0.24 -0.16 1.61 0.52 -1.26 -1.55 118.95 114.67 3k4m s ARG 274 Ca 0.32 -0.18 -0.12 0.00 -0.52 0.00 0.00 55.73 55.22 3k4m s ARG 274 Cb -0.07 -1.91 0.05 0.00 0.52 0.00 0.00 34.95 33.54 3k4m s ARG 274 CO 0.21 -0.66 0.41 0.12 0.02 0.00 0.00 175.30 175.40 3k4m s PHE 275 N 2.05 -0.51 -0.04 -0.53 5.36 0.30 -1.66 117.98 122.96 3k4m s PHE 275 Ca 0.01 1.17 0.01 0.00 -0.96 0.00 0.00 56.93 57.16 3k4m s PHE 275 Cb -0.16 0.20 0.02 0.00 -0.34 0.00 0.00 43.02 42.73 3k4m s PHE 275 CO -0.09 -0.26 -0.04 -0.80 -1.46 0.00 0.00 175.22 172.57 3k4m s ASN 276 N 0.68 0.79 -0.21 6.13 -0.87 -0.60 -1.20 114.94 119.66 3k4m s ASN 276 Ca -0.04 -0.11 -0.08 0.00 -1.57 0.00 0.00 52.86 51.07 3k4m s ASN 276 Cb -0.05 -0.36 -0.04 0.00 -0.02 0.00 0.00 41.25 40.78 3k4m s ASN 276 CO -0.05 -0.05 0.08 -0.22 -2.57 0.00 0.00 177.10 174.30 3k4m s LEU 277 N 0.80 3.78 -0.36 0.60 2.96 -1.26 -0.40 118.68 124.80 3k4m s LEU 277 Ca -0.10 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 3k4m s LEU 277 Cb -0.13 -1.98 0.10 0.00 0.50 0.00 0.00 46.19 44.68 3k4m s LEU 277 CO -0.00 0.11 0.08 -0.36 -1.32 0.00 0.00 176.35 174.86 3k4m s PHE 278 N 0.76 3.71 0.75 5.38 0.08 0.42 -4.96 117.98 124.12 3k4m s PHE 278 Ca 0.04 -2.98 -0.12 0.00 0.12 0.00 0.00 56.93 54.00 3k4m s PHE 278 Cb -0.13 -2.95 0.04 0.00 -0.57 0.00 0.00 43.02 39.41 3k4m s PHE 278 CO 0.02 -0.94 1.12 -2.14 -0.10 0.00 0.00 175.22 173.19 3k4m s PRO 279 N 0.83 2.50 -1.23 0.24 0.02 -1.26 -1.81 135.00 134.29 3k4m s PRO 279 Ca 0.11 0.37 -0.07 0.00 0.02 0.00 0.00 61.00 61.43 3k4m s PRO 279 Cb -0.20 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.34 3k4m s PRO 279 CO -0.07 -1.27 1.07 0.00 -0.33 0.00 0.00 177.00 176.40 3k4m n ALA 280 N -3.15 -1.32 -3.79 -1.55 0.00 0.57 -4.84 120.51 106.43 3k4m n ALA 280 Ca 0.07 0.31 -0.29 0.00 0.00 0.00 0.00 53.44 53.53 3k4m n ALA 280 Cb 0.58 -4.69 -0.16 0.00 0.00 0.00 0.00 19.45 15.18 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 -3.30 0.90 -0.39 0.00 1.01 -0.05 -1.08 120.40 117.49 3k4m s VAL 281 Ca 0.46 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 3k4m s VAL 281 Cb -0.20 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.78 3k4m s VAL 281 CO 0.67 -0.31 1.19 0.00 0.00 0.00 0.00 175.10 176.66 3k4m s ALA 282 N 1.66 3.28 -0.03 5.51 0.00 -0.48 -2.91 121.76 128.79 3k4m s ALA 282 Ca 0.01 -0.19 -0.23 0.00 0.00 0.00 0.00 51.96 51.54 3k4m s ALA 282 Cb -0.18 -3.81 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 3k4m s ALA 282 CO -0.12 -1.96 0.71 0.00 0.00 0.00 0.00 175.76 174.39 3k4m n GLU 284 N 3.43 2.04 -3.62 0.00 1.02 -0.01 -4.98 120.64 118.51 3k4m n GLU 284 Ca -0.02 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 3k4m n GLU 284 Cb 0.51 -1.13 -0.07 0.00 -0.02 0.00 0.00 31.44 30.73 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 -2.13 0.76 -0.16 3.49 0.52 -1.18 -4.70 118.95 115.54 3k4m s ARG 285 Ca -0.05 0.79 -0.11 0.00 -0.52 0.00 0.00 55.73 55.84 3k4m s ARG 285 Cb 0.02 0.37 -0.05 0.00 0.52 0.00 0.00 34.95 35.81 3k4m s ARG 285 CO 0.19 -0.11 0.21 0.14 0.02 0.00 0.00 175.30 175.75 3k4m s VAL 286 N 0.14 5.36 -0.30 3.52 -7.23 -1.26 -1.07 120.40 119.57 3k4m s VAL 286 Ca -0.00 0.37 -0.24 0.00 -1.81 0.00 0.00 61.98 60.30 3k4m s VAL 286 Cb -0.04 -3.54 0.00 0.00 0.56 0.00 0.00 36.38 33.36 3k4m s VAL 286 CO -0.00 0.45 0.81 -0.69 -0.31 0.00 0.00 175.10 175.37 3k4m s VAL 287 N 0.11 4.78 0.30 1.32 1.01 -0.84 -4.77 120.40 122.32 3k4m s VAL 287 Ca 0.13 1.29 -0.26 0.00 0.00 0.00 0.00 61.98 63.14 3k4m s VAL 287 Cb -0.12 -4.16 -0.10 0.00 0.00 0.00 0.00 36.38 32.00 3k4m s VAL 287 CO 0.02 -0.23 0.92 -0.13 0.00 0.00 0.00 175.10 175.68 3k4m s ARG 288 N 2.98 4.59 0.81 2.72 0.52 -1.26 -0.11 118.95 129.20 3k4m s ARG 288 Ca 0.34 1.30 -0.11 0.00 -0.52 0.00 0.00 55.73 56.74 3k4m s ARG 288 Cb -0.14 -2.87 0.08 0.00 0.52 0.00 0.00 34.95 32.54 3k4m s ARG 288 CO 0.12 0.32 1.09 0.54 0.02 0.00 0.00 175.30 177.39 3k4m s ASN 289 N -1.56 4.32 0.60 0.23 2.20 -0.74 -4.79 114.94 115.20 3k4m s ASN 289 Ca 0.48 1.36 0.35 0.00 -0.94 0.00 0.00 52.86 54.11 3k4m s ASN 289 Cb -0.19 -2.08 1.92 0.00 -2.00 0.00 0.00 41.25 38.89 3k4m s ASN 289 CO 0.24 -2.08 2.24 0.00 -2.94 0.00 0.00 177.10 174.56 3k4m h ALA 290 N -1.17 1.26 0.00 3.54 0.00 -1.96 -1.31 119.26 119.62 3k4m h ALA 290 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3k4m h ALA 290 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3k4m h ALA 290 CO 0.58 0.03 -0.22 -0.07 0.00 0.00 0.00 179.25 179.58 3k4m h LEU 291 N 0.00 0.00 -1.66 0.00 3.38 -1.95 -3.48 115.31 111.60 3k4m h LEU 291 Ca -0.00 -0.04 -0.27 0.00 0.09 0.00 0.00 57.88 57.66 3k4m h LEU 291 Cb 0.11 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.00 3k4m h LEU 291 CO 0.00 0.02 -0.63 0.59 0.09 0.00 0.00 178.44 178.51 3k4m n ASN 292 N -2.58 -2.26 0.00 -0.43 3.02 -0.50 -4.90 115.26 107.61 3k4m n ASN 292 Ca 0.04 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.09 3k4m n ASN 292 Cb 0.48 -4.30 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 3k4m n ASN 292 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3k4m n SER 293 N -2.72 0.30 -3.63 6.41 3.41 -1.25 -4.60 113.62 111.55 3k4m n SER 293 Ca -0.22 -1.00 -0.11 0.00 -0.26 0.00 0.00 58.87 57.28 3k4m n SER 293 Cb 0.63 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.00 0.61 0.02 4.33 2.12 -1.26 -1.33 118.70 123.18 3k4m s GLU 294 Ca 0.00 0.66 -0.25 0.00 0.36 0.00 0.00 54.97 55.74 3k4m s GLU 294 Cb 0.00 0.29 -0.05 0.00 0.26 0.00 0.00 34.13 34.63 3k4m s GLU 294 CO 0.00 -0.08 0.76 0.42 -0.54 0.00 0.00 175.26 175.81 3k4m s ILE 295 N 0.15 4.80 -0.13 -3.70 -1.09 -1.26 -1.79 121.20 118.18 3k4m s ILE 295 Ca 0.02 1.60 0.20 0.00 -2.23 0.00 0.00 60.65 60.24 3k4m s ILE 295 Cb -0.05 -4.10 -0.20 0.00 -1.58 0.00 0.00 42.46 36.53 3k4m s ILE 295 CO -0.04 0.34 0.63 -0.62 -1.23 0.00 0.00 174.94 174.03 3k4m n GLU 296 N 3.02 0.64 -3.83 2.79 -0.58 0.84 -4.93 120.64 118.60 3k4m n GLU 296 Ca -0.02 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.68 3k4m n GLU 296 Cb 0.50 -1.66 0.01 0.00 -0.57 0.00 0.00 31.44 29.72 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 -5.16 -0.07 -0.12 1.62 1.04 -1.26 -4.80 113.70 104.96 3k4m s SER 297 Ca -0.05 -0.64 0.03 0.00 0.48 0.00 0.00 55.95 55.77 3k4m s SER 297 Cb 0.10 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.78 3k4m s SER 297 CO 0.85 -1.05 -0.22 -0.22 0.98 0.00 0.00 173.24 173.57 3k4m s LEU 298 N -3.19 2.08 -0.31 2.42 2.96 0.18 -1.99 118.68 120.84 3k4m s LEU 298 Ca 0.17 -0.58 -0.15 0.00 -0.22 0.00 0.00 54.13 53.36 3k4m s LEU 298 Cb -0.02 -1.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 3k4m s LEU 298 CO 0.05 0.10 0.35 -1.00 -1.32 0.00 0.00 176.35 174.53 3k4m s HIS 299 N 0.66 3.22 0.38 5.38 3.76 -0.23 0.10 115.29 128.56 3k4m s HIS 299 Ca -0.11 0.15 0.08 0.00 -0.15 0.00 0.00 55.06 55.03 3k4m s HIS 299 Cb -0.16 -2.61 -0.07 0.00 1.11 0.00 0.00 32.58 30.84 3k4m s HIS 299 CO 0.02 -0.33 -0.02 0.96 -0.85 0.00 0.00 174.74 174.51 3k4m s ILE 300 N 2.02 2.11 -0.11 0.60 -4.36 -0.63 -0.83 121.20 120.00 3k4m s ILE 300 Ca 0.13 -2.07 -0.02 0.00 -0.26 0.00 0.00 60.65 58.43 3k4m s ILE 300 Cb -0.16 -2.87 0.04 0.00 1.25 0.00 0.00 42.46 40.72 3k4m s ILE 300 CO 0.11 -0.08 0.00 -2.28 0.24 0.00 0.00 174.94 172.94 3k4m s HIS 301 N -2.67 0.83 -0.44 1.37 5.65 0.73 -1.91 115.29 118.85 3k4m s HIS 301 Ca 0.34 -0.40 -0.29 0.00 0.25 0.00 0.00 55.06 54.97 3k4m s HIS 301 Cb 0.07 -0.90 0.03 0.00 -1.18 0.00 0.00 32.58 30.60 3k4m s HIS 301 CO 0.18 -0.42 1.13 0.34 -0.65 0.00 0.00 174.74 175.32 3k4m s ASP 302 N 1.92 6.69 0.44 9.88 -1.08 0.16 -1.39 116.67 133.29 3k4m s ASP 302 Ca 0.03 0.61 0.19 0.00 -0.52 0.00 0.00 52.55 52.86 3k4m s ASP 302 Cb -0.14 -2.55 1.02 0.00 -1.46 0.00 0.00 42.92 39.80 3k4m s ASP 302 CO -0.06 -1.18 1.93 -0.07 0.52 0.00 0.00 175.17 176.30 3k4m h LEU 303 N 11.01 0.00 0.00 -1.34 3.38 -1.40 0.79 115.31 127.75 3k4m h LEU 303 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3k4m h LEU 303 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3k4m h LEU 303 CO 1.11 0.25 -0.11 0.40 0.09 0.00 0.00 178.44 180.18 3k4m h ILE 304 N 0.00 0.00 -0.59 1.22 2.04 -1.91 -3.32 117.51 114.95 3k4m h ILE 304 Ca -0.00 -0.76 0.02 0.00 1.00 0.00 0.00 64.86 65.11 3k4m h ILE 304 Cb 0.53 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 3k4m h ILE 304 CO 0.03 0.00 0.39 0.77 0.00 0.00 0.00 178.15 179.34 3k4m h SER 305 N -0.76 0.63 0.00 1.72 4.64 -1.94 -3.46 113.55 114.37 3k4m h SER 305 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3k4m h SER 305 Cb 0.11 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3k4m h SER 305 CO 0.00 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 3k4m n GLY 306 N -1.45 1.43 3.89 -0.77 0.00 0.27 -5.06 105.19 103.50 3k4m n GLY 306 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.02 6.32 0.27 1.61 1.01 -1.20 -4.68 116.67 117.98 3k4m s ASP 307 Ca 0.00 1.05 0.02 0.00 0.71 0.00 0.00 52.55 54.34 3k4m s ASP 307 Cb 0.00 -2.30 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 3k4m s ASP 307 CO 0.00 -0.58 0.43 -0.13 0.21 0.00 0.00 175.17 175.10 3k4m s ARG 308 N -4.59 3.47 0.10 8.23 0.52 -1.26 0.36 118.95 125.77 3k4m s ARG 308 Ca 0.49 -0.54 -0.14 0.00 -0.52 0.00 0.00 55.73 55.02 3k4m s ARG 308 Cb -0.10 -2.81 0.02 0.00 0.52 0.00 0.00 34.95 32.58 3k4m s ARG 308 CO 0.43 0.33 0.34 -0.06 0.02 0.00 0.00 175.30 176.36 3k4m s PHE 309 N -2.07 -0.11 -0.00 -0.53 0.08 -0.80 -4.92 117.98 109.63 3k4m s PHE 309 Ca 0.37 -0.18 -0.00 0.00 0.12 0.00 0.00 56.93 57.24 3k4m s PHE 309 Cb -0.10 0.15 -0.04 0.00 -0.57 0.00 0.00 43.02 42.47 3k4m s PHE 309 CO 0.31 -0.62 0.07 -1.83 -0.10 0.00 0.00 175.22 173.05 3k4m s GLU 310 N -3.49 3.02 -0.03 0.44 -1.05 -1.26 -1.60 118.70 114.72 3k4m s GLU 310 Ca 0.01 -0.51 0.05 0.00 -0.15 0.00 0.00 54.97 54.38 3k4m s GLU 310 Cb 0.02 -2.83 -0.01 0.00 -0.44 0.00 0.00 34.13 30.87 3k4m s GLU 310 CO -0.09 0.64 -0.19 0.42 0.95 0.00 0.00 175.26 176.99 3k4m s ILE 311 N -1.18 1.56 0.07 1.83 -1.09 0.11 -4.92 121.20 117.59 3k4m s ILE 311 Ca 0.22 -0.81 0.05 0.00 -2.23 0.00 0.00 60.65 57.88 3k4m s ILE 311 Cb -0.12 -1.32 -0.04 0.00 -1.58 0.00 0.00 42.46 39.40 3k4m s ILE 311 CO 0.13 0.44 -0.03 -0.54 -1.23 0.00 0.00 174.94 173.71 3k4m s LYS 312 N -0.17 2.48 0.15 2.79 1.02 -1.26 0.51 119.74 125.26 3k4m s LYS 312 Ca 0.00 -0.84 -0.19 0.00 0.02 0.00 0.00 55.97 54.97 3k4m s LYS 312 Cb -0.10 -2.49 0.04 0.00 -0.52 0.00 0.00 37.83 34.76 3k4m s LYS 312 CO 0.01 0.55 0.49 0.00 -0.92 0.00 0.00 175.35 175.49 3k4m s ALA 313 N -1.22 -1.13 0.15 5.17 0.00 -1.26 -1.58 121.76 121.89 3k4m s ALA 313 Ca 0.23 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.27 3k4m s ALA 313 Cb -0.11 0.79 -0.07 0.00 0.00 0.00 0.00 23.12 23.73 3k4m s ALA 313 CO 0.15 -0.72 1.33 -0.44 0.00 0.00 0.00 175.76 176.07 3k4m h ASP 314 N 2.21 0.29 -3.85 0.00 3.32 -1.05 -3.46 116.42 113.88 3k4m h ASP 314 Ca -0.33 -0.25 -0.37 0.00 0.02 0.00 0.00 57.03 56.11 3k4m h ASP 314 Cb 1.27 -0.09 -0.30 0.00 0.22 0.00 0.00 39.33 40.44 3k4m h ASP 314 CO 0.42 1.08 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.56 3k4m s VAL 315 N -3.10 0.55 -0.20 -1.35 1.01 -0.39 -4.84 120.40 112.08 3k4m s VAL 315 Ca -0.03 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3k4m s VAL 315 Cb 0.10 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 36.01 3k4m s VAL 315 CO 0.84 0.17 -0.17 -0.31 0.00 0.00 0.00 175.10 175.63 3k4m s TYR 316 N 0.08 2.89 -0.13 5.22 1.51 -0.39 -0.56 117.35 125.97 3k4m s TYR 316 Ca -0.01 -1.74 0.03 0.00 -1.01 0.00 0.00 57.07 54.34 3k4m s TYR 316 Cb -0.05 -1.94 0.01 0.00 -0.11 0.00 0.00 41.96 39.87 3k4m s TYR 316 CO -0.00 -0.81 -0.22 0.08 -1.11 0.00 0.00 175.55 173.49 3k4m s VAL 317 N 1.27 2.05 -0.24 0.71 1.01 -0.00 -0.35 120.40 124.84 3k4m s VAL 317 Ca 0.02 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 3k4m s VAL 317 Cb -0.14 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 3k4m s VAL 317 CO -0.11 0.55 0.06 -0.76 0.00 0.00 0.00 175.10 174.85 3k4m s LEU 318 N 0.71 3.44 -0.34 3.92 1.43 0.32 -0.68 118.68 127.48 3k4m s LEU 318 Ca -0.10 -0.19 0.16 0.00 -1.03 0.00 0.00 54.13 52.97 3k4m s LEU 318 Cb -0.16 -1.92 0.43 0.00 0.03 0.00 0.00 46.19 44.58 3k4m s LEU 318 CO 0.01 -0.02 1.00 0.35 0.23 0.00 0.00 176.35 177.92 3k4m n THR 319 N 4.80 0.69 0.45 5.49 -2.24 0.01 -0.21 114.28 123.27 3k4m n THR 319 Ca -0.16 -2.92 0.11 0.00 -2.27 0.00 0.00 64.05 58.81 3k4m n THR 319 Cb 0.51 0.65 0.27 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.10 2.44 0.00 6.98 0.00 -1.20 -4.30 120.51 124.32 3k4m n ALA 320 Ca 0.09 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.62 3k4m n ALA 320 Cb 0.81 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 1.40 2.09 0.24 0.00 0.00 -1.26 -4.17 105.19 103.49 3k4m n GLY 321 Ca 0.19 -1.96 -0.07 0.00 0.00 0.00 0.00 46.02 44.17 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 0.86 0.20 4.61 0.00 -1.91 -1.72 119.26 121.30 3k4m h ALA 322 Ca 0.00 -0.42 -0.32 0.00 0.00 0.00 0.00 54.91 54.17 3k4m h ALA 322 Cb 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 17.70 3k4m h ALA 322 CO 0.00 0.64 -1.39 0.28 0.00 0.00 0.00 179.25 178.78 3k4m h VAL 323 N 0.52 1.31 0.00 0.00 2.07 -1.95 -3.36 116.25 114.84 3k4m h VAL 323 Ca 0.05 -2.67 -0.13 0.00 0.82 0.00 0.00 66.70 64.77 3k4m h VAL 323 Cb 0.85 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.53 3k4m h VAL 323 CO 0.07 0.80 -1.14 0.45 0.02 0.00 0.00 177.57 177.78 3k4m h HIS 324 N 0.18 0.00 -0.99 1.57 -0.00 -1.70 -2.38 115.15 111.83 3k4m h HIS 324 Ca -0.22 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.18 3k4m h HIS 324 Cb 2.08 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 29.43 3k4m h HIS 324 CO 0.12 0.50 0.65 -0.91 -0.00 0.00 0.00 177.93 178.29 3k4m h ASN 325 N 0.00 1.09 0.00 2.45 2.35 -1.50 -0.65 115.58 119.33 3k4m h ASN 325 Ca -0.11 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 3k4m h ASN 325 Cb 1.47 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.59 3k4m h ASN 325 CO 0.05 0.75 -0.04 0.74 -1.65 0.00 0.00 177.43 177.28 3k4m h THR 326 N 1.26 1.67 -0.80 2.81 2.02 -1.69 0.82 112.91 119.02 3k4m h THR 326 Ca 0.39 -2.03 0.19 0.00 0.77 0.00 0.00 66.41 65.74 3k4m h THR 326 Cb -0.01 3.04 -0.13 0.00 -1.74 0.00 0.00 68.15 69.31 3k4m h THR 326 CO -0.12 0.53 0.08 -0.61 0.37 0.00 0.00 175.52 175.77 3k4m h GLN 327 N -0.82 0.14 -0.01 6.66 4.15 -1.42 0.41 115.11 124.22 3k4m h GLN 327 Ca -0.01 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 3k4m h GLN 327 Cb 0.89 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.55 3k4m h GLN 327 CO 0.01 0.09 -0.00 1.25 -1.93 0.00 0.00 178.83 178.25 3k4m h LEU 328 N 0.14 0.01 -0.27 -2.39 5.85 -0.93 0.24 115.31 117.95 3k4m h LEU 328 Ca 0.46 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.87 3k4m h LEU 328 Cb 0.84 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.80 3k4m h LEU 328 CO -0.66 0.37 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.57 3k4m h LEU 329 N -0.35 -0.55 -0.62 2.25 3.38 -0.30 -2.44 115.31 116.67 3k4m h LEU 329 Ca 0.00 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3k4m h LEU 329 Cb 0.37 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 3k4m h LEU 329 CO 0.00 -0.20 0.36 0.58 0.09 0.00 0.00 178.44 179.27 3k4m h VAL 330 N -0.14 1.19 0.00 1.22 2.07 -0.01 0.11 116.25 120.70 3k4m h VAL 330 Ca 0.15 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3k4m h VAL 330 Cb 0.36 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3k4m h VAL 330 CO -0.36 0.20 0.00 -3.20 0.02 0.00 0.00 177.57 174.23 3k4m n ASN 331 N -4.58 0.00 -0.19 0.57 5.15 0.83 -1.70 115.26 115.34 3k4m n ASN 331 Ca 0.04 0.29 0.05 0.00 -0.60 0.00 0.00 54.58 54.36 3k4m n ASN 331 Cb 0.07 -0.29 -0.01 0.00 -0.53 0.00 0.00 39.78 39.02 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 -1.28 1.10 0.00 1.20 7.64 0.34 -4.82 113.62 117.80 3k4m n SER 332 Ca 0.00 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.83 3k4m n SER 332 Cb 0.00 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 0.91 1.04 3.87 0.23 0.00 -0.69 -4.71 105.19 105.85 3k4m n GLY 333 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 3.42 0.00 1.61 0.40 -1.01 -4.61 117.98 115.79 3k4m s PHE 334 Ca 0.00 0.97 0.00 0.00 -0.60 0.00 0.00 56.93 57.30 3k4m s PHE 334 Cb 0.00 -2.35 0.00 0.00 0.51 0.00 0.00 43.02 41.18 3k4m s PHE 334 CO 0.00 0.14 0.00 0.41 0.70 0.00 0.00 175.22 176.47 3k4m n GLY 335 N -0.53 0.99 3.09 4.36 0.00 0.42 -4.14 105.19 109.38 3k4m n GLY 335 Ca 0.01 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 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 2.73 0.27 1.61 0.74 -1.26 -4.71 119.66 119.04 3k4m s GLN 336 Ca 0.00 -0.81 -0.29 0.00 0.05 0.00 0.00 55.36 54.31 3k4m s GLN 336 Cb 0.00 -2.48 -0.09 0.00 1.10 0.00 0.00 33.01 31.54 3k4m s GLN 336 CO 0.00 -0.25 1.18 -1.17 -0.55 0.00 0.00 175.29 174.49 3k4m s LEU 337 N 1.33 4.50 0.00 3.68 2.96 -1.26 -4.69 118.68 125.19 3k4m s LEU 337 Ca 0.04 2.36 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 3k4m s LEU 337 Cb -0.14 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.93 3k4m s LEU 337 CO -0.12 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.22 3k4m n GLY 338 N 1.38 -0.06 3.66 7.98 0.00 0.66 -4.86 105.19 113.95 3k4m n GLY 338 Ca 0.01 -1.93 -0.46 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.23 1.92 -1.66 1.61 0.63 -1.26 -4.60 116.66 113.07 3k4m n ARG 339 Ca 0.00 0.69 -0.50 0.00 -0.92 0.00 0.00 57.85 57.11 3k4m n ARG 339 Cb 0.00 -2.36 -0.05 0.00 0.45 0.00 0.00 32.46 30.49 3k4m n ARG 339 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3k4m n PRO 340 N 2.45 1.68 -3.52 -0.14 -0.04 -1.26 -4.96 135.00 129.22 3k4m n PRO 340 Ca 0.14 0.61 -0.28 0.00 -0.04 0.00 0.00 63.50 63.94 3k4m n PRO 340 Cb 0.29 -2.35 -0.14 0.00 -0.04 0.00 0.00 33.50 31.26 3k4m n PRO 340 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3k4m s ASN 341 N 2.01 3.27 0.53 3.54 3.04 -1.26 -5.02 114.94 121.05 3k4m s ASN 341 Ca 0.87 -1.29 0.20 0.00 0.04 0.00 0.00 52.86 52.68 3k4m s ASN 341 Cb -0.83 -0.25 1.37 0.00 -1.54 0.00 0.00 41.25 40.00 3k4m s ASN 341 CO 0.49 -0.42 2.11 -0.65 -3.04 0.00 0.00 177.10 175.59 3k4m h PRO 342 N 8.29 0.00 0.00 0.43 0.11 -2.01 -2.17 132.00 136.65 3k4m h PRO 342 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3k4m h PRO 342 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3k4m h PRO 342 CO 0.41 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.20 3k4m h ALA 343 N 1.91 1.00 -2.17 -0.75 0.00 -2.02 -3.13 119.26 114.11 3k4m h ALA 343 Ca 0.07 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.42 3k4m h ALA 343 Cb 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.67 3k4m h ALA 343 CO -0.00 0.00 -0.81 -1.71 0.00 0.00 0.00 179.25 176.73 3k4m n ASN 344 N -2.95 3.04 -4.57 0.00 4.05 -0.81 -5.10 115.26 108.92 3k4m n ASN 344 Ca -0.02 -3.38 -0.35 0.00 0.45 0.00 0.00 54.58 51.28 3k4m n ASN 344 Cb 0.12 -0.61 0.09 0.00 1.23 0.00 0.00 39.78 40.62 3k4m n ASN 344 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 3k4m n PRO 345 N 0.27 0.31 -2.77 1.20 -0.02 -1.19 -4.91 135.00 127.90 3k4m n PRO 345 Ca 0.28 0.16 -0.28 0.00 -2.02 0.00 0.00 63.50 61.64 3k4m n PRO 345 Cb 0.47 -2.13 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 3k4m n PRO 345 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3k4m s PRO 346 N -3.37 3.63 0.14 0.52 0.02 -1.26 -4.98 135.00 129.70 3k4m s PRO 346 Ca 0.70 0.27 -0.14 0.00 0.02 0.00 0.00 61.00 61.85 3k4m s PRO 346 Cb -0.32 -2.40 0.01 0.00 0.02 0.00 0.00 34.50 31.80 3k4m s PRO 346 CO 0.54 -0.11 1.63 1.49 -0.33 0.00 0.00 177.00 180.22 3k4m h GLU 347 N 0.70 0.73 -5.81 5.54 4.81 -1.91 -3.44 114.58 115.21 3k4m h GLU 347 Ca -0.47 -0.19 -0.57 0.00 -0.13 0.00 0.00 59.36 58.00 3k4m h GLU 347 Cb 1.20 -0.09 -0.29 0.00 0.63 0.00 0.00 28.75 30.19 3k4m h GLU 347 CO 0.63 0.75 -0.84 -0.51 -0.73 0.00 0.00 179.01 178.30 3k4m s LEU 348 N -9.57 2.04 -1.02 1.64 1.43 -1.26 -4.84 118.68 107.10 3k4m s LEU 348 Ca -0.13 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 3k4m s LEU 348 Cb 0.11 -0.97 -0.01 0.00 0.03 0.00 0.00 46.19 45.35 3k4m s LEU 348 CO 0.79 0.23 0.75 0.18 0.23 0.00 0.00 176.35 178.53 3k4m n LEU 349 N 2.62 -3.33 0.31 1.79 4.77 -1.26 0.16 117.00 122.06 3k4m n LEU 349 Ca -0.15 -0.86 0.19 0.00 -0.03 0.00 0.00 56.01 55.16 3k4m n LEU 349 Cb 0.53 -2.41 1.00 0.00 -2.33 0.00 0.00 43.42 40.21 3k4m n LEU 349 CO 0.24 0.20 1.16 1.55 -1.33 0.00 0.00 177.39 179.21 3k4m h PRO 350 N -1.25 0.00 -0.02 3.23 0.13 -1.88 -1.61 132.00 130.60 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 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3k4m h PRO 350 CO 0.43 0.00 -0.01 0.43 -0.23 0.00 0.00 178.00 178.62 3k4m n SER 351 N -3.18 1.62 -4.69 1.44 7.64 -1.26 -4.85 113.62 110.33 3k4m n SER 351 Ca -0.02 -1.52 -0.42 0.00 1.01 0.00 0.00 58.87 57.92 3k4m n SER 351 Cb 0.23 0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 3k4m n SER 351 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3k4m s LEU 352 N -2.02 4.39 0.00 -3.43 2.96 -0.61 -2.19 118.68 117.79 3k4m s LEU 352 Ca 0.37 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 56.95 3k4m s LEU 352 Cb 0.21 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.33 3k4m s LEU 352 CO 0.34 -0.97 0.00 0.61 -1.32 0.00 0.00 176.35 175.01 3k4m n GLY 353 N 4.17 0.82 3.87 7.98 0.00 -0.02 -4.79 105.19 117.22 3k4m n GLY 353 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3k4m n GLY 353 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4m s SER 354 N -3.00 5.37 -1.75 1.61 0.01 -0.93 -0.57 113.70 114.44 3k4m s SER 354 Ca 0.00 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.80 3k4m s SER 354 Cb 0.00 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.23 3k4m s SER 354 CO 0.00 -0.37 0.00 -1.22 0.41 0.00 0.00 173.24 172.06 3k4m n TYR 355 N -1.41 0.00 -1.68 2.43 4.02 -0.70 -4.56 117.16 115.26 3k4m n TYR 355 Ca -0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.47 3k4m n TYR 355 Cb 0.60 -2.88 0.02 0.00 -0.02 0.00 0.00 39.34 37.06 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 -2.50 2.85 -4.82 -0.72 -5.35 -0.97 -4.46 119.36 103.38 3k4m n ILE 356 Ca -0.16 -0.50 -0.25 0.00 -0.27 0.00 0.00 62.75 61.57 3k4m n ILE 356 Cb 0.55 -1.47 -0.15 0.00 -1.74 0.00 0.00 39.64 36.83 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 -1.26 1.37 0.01 7.28 -4.23 -0.01 -4.60 115.64 114.22 3k4m s THR 357 Ca 0.64 -0.76 -0.05 0.00 -1.18 0.00 0.00 61.69 60.35 3k4m s THR 357 Cb -0.49 -1.15 -0.01 0.00 1.34 0.00 0.00 72.50 72.20 3k4m s THR 357 CO 0.55 0.38 0.09 -0.70 -0.54 0.00 0.00 174.62 174.40 3k4m s GLU 358 N -0.43 0.47 -0.00 3.99 2.56 -1.26 -0.63 118.70 123.40 3k4m s GLU 358 Ca 0.07 -0.53 -0.15 0.00 0.00 0.00 0.00 54.97 54.36 3k4m s GLU 358 Cb -0.07 0.19 -0.06 0.00 2.00 0.00 0.00 34.13 36.19 3k4m s GLU 358 CO -0.01 -0.11 0.40 -0.65 -0.56 0.00 0.00 175.26 174.34 3k4m s GLN 359 N -1.68 3.91 0.25 4.30 -0.21 -1.26 -4.46 119.66 120.51 3k4m s GLN 359 Ca -0.13 0.40 -0.31 0.00 0.02 0.00 0.00 55.36 55.34 3k4m s GLN 359 Cb -0.07 -3.22 -0.13 0.00 1.00 0.00 0.00 33.01 30.59 3k4m s GLN 359 CO -0.00 0.69 1.52 0.43 -2.12 0.00 0.00 175.29 175.80 3k4m n SER 360 N 1.85 3.29 -4.13 5.90 7.64 -1.25 -4.71 113.62 122.20 3k4m n SER 360 Ca -0.14 1.13 -0.31 0.00 1.01 0.00 0.00 58.87 60.56 3k4m n SER 360 Cb 0.52 -1.50 -0.17 0.00 -1.01 0.00 0.00 64.21 62.06 3k4m n SER 360 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3k4m s LEU 361 N 0.06 1.95 0.13 -3.43 2.96 -1.26 -1.20 118.68 117.88 3k4m s LEU 361 Ca 0.68 -0.52 0.06 0.00 -0.22 0.00 0.00 54.13 54.13 3k4m s LEU 361 Cb -0.59 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3k4m s LEU 361 CO 0.47 0.07 0.00 0.68 -1.32 0.00 0.00 176.35 176.25 3k4m s VAL 362 N 0.80 3.90 -0.14 1.68 -7.23 -0.93 -0.37 120.40 118.10 3k4m s VAL 362 Ca -0.09 -1.17 -0.12 0.00 -1.81 0.00 0.00 61.98 58.79 3k4m s VAL 362 Cb -0.16 -2.90 0.04 0.00 0.56 0.00 0.00 36.38 33.92 3k4m s VAL 362 CO 0.00 0.02 0.37 0.12 -0.31 0.00 0.00 175.10 175.31 3k4m s PHE 363 N -1.48 -0.43 0.29 2.82 5.36 -0.25 -2.14 117.98 122.16 3k4m s PHE 363 Ca 0.26 1.04 -0.15 0.00 -0.96 0.00 0.00 56.93 57.11 3k4m s PHE 363 Cb -0.11 0.15 0.02 0.00 -0.34 0.00 0.00 43.02 42.74 3k4m s PHE 363 CO 0.18 -0.22 0.62 0.00 -1.46 0.00 0.00 175.22 174.35 3k4m s GLN 365 N -3.60 1.48 0.18 0.00 -0.21 -0.32 -1.15 119.66 116.04 3k4m s GLN 365 Ca 0.18 -1.64 0.06 0.00 0.02 0.00 0.00 55.36 53.98 3k4m s GLN 365 Cb -0.03 -1.46 -0.05 0.00 1.00 0.00 0.00 33.01 32.47 3k4m s GLN 365 CO 0.10 0.27 -0.12 0.95 -2.12 0.00 0.00 175.29 174.37 3k4m s THR 366 N -2.58 1.48 -0.22 -0.19 -4.23 -0.16 -0.54 115.64 109.21 3k4m s THR 366 Ca 0.25 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.57 3k4m s THR 366 Cb -0.04 -1.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 3k4m s THR 366 CO 0.10 -0.65 -0.03 -0.69 -0.54 0.00 0.00 174.62 172.82 3k4m s VAL 367 N -3.13 3.54 0.27 2.29 1.01 0.48 -1.68 120.40 123.17 3k4m s VAL 367 Ca 0.20 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 3k4m s VAL 367 Cb 0.01 -2.61 -0.13 0.00 0.00 0.00 0.00 36.38 33.64 3k4m s VAL 367 CO 0.04 0.42 1.30 0.80 0.00 0.00 0.00 175.10 177.66 3k4m n MET 368 N 4.70 1.88 -1.70 2.72 1.56 0.15 -3.66 117.12 122.76 3k4m n MET 368 Ca -0.18 0.66 -0.37 0.00 -0.27 0.00 0.00 57.70 57.54 3k4m n MET 368 Cb 0.51 -2.24 0.06 0.00 2.15 0.00 0.00 33.22 33.70 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 1.64 1.85 -0.13 6.12 3.41 0.76 -4.86 113.62 122.40 3k4m n SER 369 Ca 0.10 0.84 -0.04 0.00 -0.26 0.00 0.00 58.87 59.50 3k4m n SER 369 Cb 0.32 -1.52 0.04 0.00 -0.26 0.00 0.00 64.21 62.79 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 0.62 0.83 -0.16 6.66 2.02 -1.89 -1.95 112.91 119.04 3k4m h THR 370 Ca -0.50 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 66.63 3k4m h THR 370 Cb 1.34 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 3k4m h THR 370 CO 0.53 0.05 -0.19 -0.33 0.37 0.00 0.00 175.52 175.95 3k4m h GLU 371 N 0.27 -0.21 -0.41 6.66 5.08 -1.96 0.19 114.58 124.20 3k4m h GLU 371 Ca 0.20 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3k4m h GLU 371 Cb 0.22 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3k4m h GLU 371 CO -0.23 -0.14 0.25 -0.07 -1.00 0.00 0.00 179.01 177.82 3k4m h LEU 372 N -0.22 0.49 -0.30 1.33 3.38 -1.86 -1.85 115.31 116.28 3k4m h LEU 372 Ca 0.11 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3k4m h LEU 372 Cb 0.38 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3k4m h LEU 372 CO -0.29 0.40 0.19 0.40 0.09 0.00 0.00 178.44 179.22 3k4m h ILE 373 N 0.54 1.05 -0.63 1.22 1.08 -0.64 -2.01 117.51 118.13 3k4m h ILE 373 Ca 0.15 -0.13 0.09 0.00 -0.39 0.00 0.00 64.86 64.58 3k4m h ILE 373 Cb -0.01 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 34.34 3k4m h ILE 373 CO -0.03 0.07 0.42 0.44 -0.69 0.00 0.00 178.15 178.36 3k4m h ASP 374 N 0.38 0.43 1.17 1.72 3.32 -0.76 -2.60 116.42 120.07 3k4m h ASP 374 Ca 0.12 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3k4m h ASP 374 Cb -0.02 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3k4m h ASP 374 CO -0.04 0.26 -0.29 0.77 -1.72 0.00 0.00 179.24 178.22 3k4m h SER 375 N 0.48 0.00 -1.02 6.45 4.64 -0.58 -0.19 113.55 123.33 3k4m h SER 375 Ca 0.29 0.00 0.28 0.00 -0.47 0.00 0.00 61.79 61.89 3k4m h SER 375 Cb 0.49 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.45 3k4m h SER 375 CO -0.09 0.29 0.61 0.58 -0.87 0.00 0.00 176.83 177.35 3k4m h VAL 376 N 0.00 0.44 -0.23 0.95 2.07 -1.24 -1.94 116.25 116.30 3k4m h VAL 376 Ca -0.00 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 3k4m h VAL 376 Cb 0.96 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 3k4m h VAL 376 CO 0.04 0.08 -0.17 2.29 0.02 0.00 0.00 177.57 179.83 3k4m n LYS 377 N -4.90 1.84 -0.02 1.57 2.85 -0.10 -4.70 118.16 114.70 3k4m n LYS 377 Ca 0.29 -3.14 0.15 0.00 -1.05 0.00 0.00 58.31 54.55 3k4m n LYS 377 Cb 0.87 -1.75 0.58 0.00 -0.65 0.00 0.00 35.03 34.08 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 1.00 0.20 0.99 -5.58 4.64 -1.14 -2.96 113.55 110.71 3k4m h SER 378 Ca 0.13 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 3k4m h SER 378 Cb 1.43 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.48 3k4m h SER 378 CO 0.25 0.12 -1.02 0.44 -0.87 0.00 0.00 176.83 175.75 3k4m h ASP 379 N 0.22 0.00 -3.80 4.97 3.32 -1.84 -3.48 116.42 115.82 3k4m h ASP 379 Ca 0.25 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.77 3k4m h ASP 379 Cb 0.68 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.30 3k4m h ASP 379 CO -0.05 0.06 0.69 -0.04 -1.72 0.00 0.00 179.24 178.19 3k4m s MET 380 N -3.32 4.28 -0.22 3.56 -1.94 -1.12 -4.69 119.30 115.85 3k4m s MET 380 Ca -0.01 2.32 -0.13 0.00 -1.71 0.00 0.00 55.69 56.17 3k4m s MET 380 Cb 0.09 -3.05 -0.05 0.00 2.01 0.00 0.00 34.83 33.83 3k4m s MET 380 CO 0.79 -0.31 0.25 0.99 -0.01 0.00 0.00 175.02 176.73 3k4m s THR 381 N -0.93 5.30 -0.12 2.05 2.01 0.40 -4.97 115.64 119.38 3k4m s THR 381 Ca 0.52 0.39 -0.04 0.00 0.31 0.00 0.00 61.69 62.86 3k4m s THR 381 Cb -0.42 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 3k4m s THR 381 CO 0.54 0.32 0.04 -0.63 -0.69 0.00 0.00 174.62 174.20 3k4m s ILE 382 N 1.08 4.65 -0.03 1.82 1.09 -1.26 -2.60 121.20 125.95 3k4m s ILE 382 Ca 0.12 -0.11 -0.18 0.00 -1.10 0.00 0.00 60.65 59.39 3k4m s ILE 382 Cb -0.14 -3.01 0.03 0.00 -1.06 0.00 0.00 42.46 38.29 3k4m s ILE 382 CO 0.05 0.57 0.38 0.00 -0.10 0.00 0.00 174.94 175.84 3k4m s ARG 383 N -0.59 0.72 0.00 2.79 1.70 -0.41 -4.98 118.95 118.18 3k4m s ARG 383 Ca 0.10 -0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.30 3k4m s ARG 383 Cb -0.12 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 3k4m s ARG 383 CO 0.02 -0.20 0.00 0.41 -1.08 0.00 0.00 175.30 174.45 3k4m n GLY 384 N 1.33 -0.67 3.82 3.88 0.00 -1.26 0.97 105.19 113.25 3k4m n GLY 384 Ca -0.21 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 3k4m n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k4m s THR 385 N -1.88 4.97 0.45 2.61 2.01 -1.26 -4.79 115.64 117.75 3k4m s THR 385 Ca 0.00 0.94 -0.25 0.00 0.31 0.00 0.00 61.69 62.69 3k4m s THR 385 Cb 0.00 -3.76 -0.08 0.00 0.01 0.00 0.00 72.50 68.66 3k4m s THR 385 CO 0.00 0.56 1.42 -2.84 -0.69 0.00 0.00 174.62 173.06 3k4m s PRO 386 N -0.97 3.71 0.00 4.92 0.02 -1.26 -3.34 135.00 138.08 3k4m s PRO 386 Ca 0.25 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3k4m s PRO 386 Cb -0.17 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.68 3k4m s PRO 386 CO 0.15 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.43 3k4m n GLY 387 N 0.58 3.24 3.96 0.52 0.00 -1.26 -5.02 105.19 107.21 3k4m n GLY 387 Ca 0.05 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 3k4m n GLY 387 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3k4m s GLU 388 N 0.00 2.90 0.00 1.61 1.03 -1.21 -4.97 118.70 118.05 3k4m s GLU 388 Ca 0.00 -0.66 0.00 0.00 0.03 0.00 0.00 54.97 54.34 3k4m s GLU 388 Cb 0.00 -2.57 0.00 0.00 -0.80 0.00 0.00 34.13 30.76 3k4m s GLU 388 CO 0.00 -0.38 0.55 1.47 -1.33 0.00 0.00 175.26 175.57 3k4m n LEU 389 N -2.11 0.46 -0.00 1.83 -0.00 -1.26 -2.52 117.00 113.40 3k4m n LEU 389 Ca 0.04 -0.23 0.03 0.00 -0.00 0.00 0.00 56.01 55.85 3k4m n LEU 389 Cb 0.58 -0.23 -0.05 0.00 -0.00 0.00 0.00 43.42 43.73 3k4m n LEU 389 CO 0.46 0.12 -0.29 0.35 -0.00 0.00 0.00 177.39 178.02 3k4m n THR 390 N -0.14 0.00 -1.62 1.47 -2.24 -1.26 -4.99 114.28 105.50 3k4m n THR 390 Ca 0.00 -0.25 -0.46 0.00 -2.27 0.00 0.00 64.05 61.07 3k4m n THR 390 Cb 0.12 0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 68.98 3k4m n THR 390 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4m n TYR 391 N -1.44 2.18 -5.19 4.78 9.36 -1.05 -4.27 117.16 121.53 3k4m n TYR 391 Ca 0.00 -0.09 -0.32 0.00 3.32 0.00 0.00 57.90 60.82 3k4m n TYR 391 Cb 0.14 -2.70 -0.16 0.00 -0.63 0.00 0.00 39.34 35.99 3k4m n TYR 391 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3k4m s SER 392 N 5.68 3.21 -0.09 2.98 0.15 0.27 -4.99 113.70 120.92 3k4m s SER 392 Ca 0.96 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 57.12 3k4m s SER 392 Cb -0.57 -1.10 0.02 0.00 -1.71 0.00 0.00 66.02 62.66 3k4m s SER 392 CO 0.45 0.21 -0.09 -0.69 1.20 0.00 0.00 173.24 174.33 3k4m s VAL 393 N 0.02 1.01 0.03 4.45 1.01 -1.26 -1.29 120.40 124.38 3k4m s VAL 393 Ca -0.09 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 3k4m s VAL 393 Cb -0.15 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3k4m s VAL 393 CO 0.05 0.35 0.06 0.42 0.00 0.00 0.00 175.10 175.98 3k4m s THR 394 N 1.24 0.13 0.08 3.92 -4.23 -1.07 -4.95 115.64 110.76 3k4m s THR 394 Ca -0.04 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 3k4m s THR 394 Cb -0.14 -0.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.86 3k4m s THR 394 CO -0.03 -0.61 -0.06 -0.72 -0.54 0.00 0.00 174.62 172.66 3k4m s TYR 395 N -2.43 0.78 -0.56 3.99 1.13 -1.26 -0.46 117.35 118.54 3k4m s TYR 395 Ca -0.07 -0.92 -0.19 0.00 -1.41 0.00 0.00 57.07 54.49 3k4m s TYR 395 Cb -0.02 -0.47 0.09 0.00 -1.10 0.00 0.00 41.96 40.46 3k4m s TYR 395 CO -0.04 -0.20 0.66 0.99 -2.51 0.00 0.00 175.55 174.45 3k4m s THR 396 N -3.52 4.87 -0.15 -3.49 2.01 -1.26 -5.04 115.64 109.06 3k4m s THR 396 Ca 0.09 -0.89 -0.38 0.00 0.31 0.00 0.00 61.69 60.82 3k4m s THR 396 Cb 0.05 -4.42 -0.15 0.00 0.01 0.00 0.00 72.50 67.99 3k4m s THR 396 CO -0.06 -1.01 1.69 -2.65 -0.69 0.00 0.00 174.62 171.91 3k4m n PRO 397 N 6.19 1.44 -0.73 4.92 -0.02 -1.26 -2.19 135.00 143.35 3k4m n PRO 397 Ca -0.09 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3k4m n PRO 397 Cb 0.43 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 3.90 1.51 3.69 -1.23 0.00 -1.26 -5.02 105.19 106.77 3k4m n GLY 398 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 3k4m n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4m n ALA 399 N 0.70 0.89 0.18 4.61 0.00 -0.93 -4.89 120.51 121.08 3k4m n ALA 399 Ca 0.00 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.62 3k4m n ALA 399 Cb 0.00 -2.24 -0.09 0.00 0.00 0.00 0.00 19.45 17.12 3k4m n ALA 399 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3k4m n SER 400 N -0.99 0.39 -0.05 0.00 3.41 -1.26 -2.82 113.62 112.29 3k4m n SER 400 Ca 0.13 -0.01 0.12 0.00 -0.26 0.00 0.00 58.87 58.84 3k4m n SER 400 Cb 0.46 1.32 0.68 0.00 -0.26 0.00 0.00 64.21 66.41 3k4m n SER 400 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3k4m n THR 401 N -2.27 0.01 -2.39 6.66 -2.24 -1.26 -4.81 114.28 107.98 3k4m n THR 401 Ca -0.01 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 3k4m n THR 401 Cb 0.53 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.74 7.01 0.20 3.42 -0.87 -1.13 -4.94 114.94 116.89 3k4m s ASN 402 Ca 0.36 1.96 0.13 0.00 -1.57 0.00 0.00 52.86 53.74 3k4m s ASN 402 Cb 0.17 -2.57 -0.04 0.00 -0.02 0.00 0.00 41.25 38.79 3k4m s ASN 402 CO 0.28 -0.57 1.28 0.11 -2.57 0.00 0.00 177.10 175.63 3k4m h LYS 403 N 7.27 0.00 -6.07 -0.60 1.79 -1.89 -3.46 116.57 113.60 3k4m h LYS 403 Ca -0.38 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.50 3k4m h LYS 403 Cb 1.19 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.72 3k4m h LYS 403 CO 0.86 0.58 -0.67 -1.01 -1.08 0.00 0.00 179.45 178.13 3k4m s HIS 404 N -2.88 2.47 0.75 -1.35 3.76 -1.26 -5.14 115.29 111.64 3k4m s HIS 404 Ca 0.02 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 54.42 3k4m s HIS 404 Cb 0.08 -1.30 0.04 0.00 1.11 0.00 0.00 32.58 32.52 3k4m s HIS 404 CO 0.78 0.58 1.09 -1.25 -0.85 0.00 0.00 174.74 175.09 3k4m s PRO 405 N -3.63 2.45 0.23 8.40 0.04 -1.26 -4.88 135.00 136.35 3k4m s PRO 405 Ca 0.33 0.66 0.05 0.00 0.04 0.00 0.00 61.00 62.07 3k4m s PRO 405 Cb -0.02 -1.96 0.23 0.00 0.04 0.00 0.00 34.50 32.80 3k4m s PRO 405 CO 0.18 -1.37 1.55 -0.44 0.04 0.00 0.00 177.00 176.96 3k4m h ASP 406 N -0.90 0.24 -0.41 6.66 3.32 -1.99 -2.42 116.42 120.92 3k4m h ASP 406 Ca -0.46 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.41 3k4m h ASP 406 Cb 1.25 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 3k4m h ASP 406 CO 0.60 0.81 0.15 4.11 -1.72 0.00 0.00 179.24 183.18 3k4m h TRP 407 N 0.15 0.69 0.15 4.55 5.08 -1.99 -0.92 115.95 123.66 3k4m h TRP 407 Ca -0.01 -0.04 -0.01 0.00 1.08 0.00 0.00 58.89 59.91 3k4m h TRP 407 Cb 1.15 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 3k4m h TRP 407 CO 0.02 0.57 -0.07 2.35 -1.28 0.00 0.00 178.44 180.03 3k4m h TRP 408 N 0.67 -0.19 0.00 0.12 2.91 -1.84 -2.77 115.95 114.85 3k4m h TRP 408 Ca 0.16 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.12 3k4m h TRP 408 Cb 0.20 0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.91 3k4m h TRP 408 CO 0.01 0.03 -0.26 -0.91 -1.03 0.00 0.00 178.44 176.29 3k4m h ASN 409 N -0.39 0.00 -0.16 2.65 2.35 -1.18 -2.25 115.58 116.61 3k4m h ASN 409 Ca -0.02 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 3k4m h ASN 409 Cb 0.31 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 3k4m h ASN 409 CO 0.03 0.26 -0.24 -0.08 -1.65 0.00 0.00 177.43 175.75 3k4m h GLU 410 N 0.00 0.44 -0.59 0.81 4.57 -1.14 -1.02 114.58 117.65 3k4m h GLU 410 Ca -0.00 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 57.87 3k4m h GLU 410 Cb 0.49 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 3k4m h GLU 410 CO 0.03 0.85 0.19 0.87 -1.18 0.00 0.00 179.01 179.77 3k4m h LYS 411 N 0.07 0.91 0.23 1.92 1.57 -1.24 -1.95 116.57 118.08 3k4m h LYS 411 Ca 0.01 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3k4m h LYS 411 Cb 0.81 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3k4m h LYS 411 CO 0.05 0.82 -0.11 0.28 -0.57 0.00 0.00 179.45 179.92 3k4m h VAL 412 N 0.83 0.82 -0.18 0.50 2.07 -1.37 0.63 116.25 119.55 3k4m h VAL 412 Ca 0.19 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.49 3k4m h VAL 412 Cb 0.28 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 3k4m h VAL 412 CO -0.01 0.06 -0.20 0.50 0.02 0.00 0.00 177.57 177.94 3k4m h LYS 413 N -0.44 -0.22 0.68 1.57 3.64 -1.19 0.12 116.57 120.72 3k4m h LYS 413 Ca -0.03 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3k4m h LYS 413 Cb 0.34 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3k4m h LYS 413 CO 0.05 -0.15 -0.45 -0.91 -2.27 0.00 0.00 179.45 175.73 3k4m h ASN 414 N -0.23 -1.14 -0.72 4.20 2.35 -1.34 0.22 115.58 118.92 3k4m h ASN 414 Ca 0.12 0.07 0.14 0.00 -0.55 0.00 0.00 56.30 56.07 3k4m h ASN 414 Cb 0.40 0.34 -0.14 0.00 0.05 0.00 0.00 38.32 38.98 3k4m h ASN 414 CO -0.31 -0.67 -0.23 -0.74 -1.65 0.00 0.00 177.43 173.82 3k4m h HIS 415 N -1.07 -0.55 0.00 1.19 -0.00 -0.51 0.20 115.15 114.40 3k4m h HIS 415 Ca -0.09 0.07 -0.04 0.00 -0.00 0.00 0.00 60.37 60.31 3k4m h HIS 415 Cb 0.87 0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 28.63 3k4m h HIS 415 CO -0.13 -0.34 -0.19 0.52 -0.00 0.00 0.00 177.93 177.79 3k4m h MET 416 N -0.04 0.00 0.02 5.26 2.86 -0.12 -2.44 114.93 120.48 3k4m h MET 416 Ca 0.33 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.68 3k4m h MET 416 Cb 0.55 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.17 3k4m h MET 416 CO -0.76 0.19 -1.63 0.52 1.06 0.00 0.00 176.91 176.30 3k4m h MET 417 N 0.00 0.05 -0.00 1.72 2.07 0.34 -3.29 114.93 115.82 3k4m h MET 417 Ca -0.00 -0.09 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 3k4m h MET 417 Cb 0.37 0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.13 3k4m h MET 417 CO 0.03 0.70 -0.26 1.04 1.07 0.00 0.00 176.91 179.48 3k4m n GLN 418 N -3.17 0.34 -2.95 1.72 6.02 0.57 -4.33 117.38 115.58 3k4m n GLN 418 Ca -0.16 -0.16 -0.14 0.00 -0.01 0.00 0.00 57.00 56.54 3k4m n GLN 418 Cb 1.04 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.82 3k4m n GLN 418 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3k4m n HIS 419 N -1.19 -1.60 0.59 1.08 8.25 -0.94 -4.97 115.22 116.44 3k4m n HIS 419 Ca 0.09 -2.83 0.07 0.00 -0.26 0.00 0.00 57.72 54.80 3k4m n HIS 419 Cb 0.32 0.68 0.35 0.00 1.12 0.00 0.00 29.99 32.46 3k4m n HIS 419 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3k4m n GLN 420 N 0.65 0.06 0.11 -0.41 6.02 -1.24 -1.09 117.38 121.48 3k4m n GLN 420 Ca 0.15 0.21 0.12 0.00 -0.01 0.00 0.00 57.00 57.47 3k4m n GLN 420 Cb 0.66 -1.50 0.24 0.00 1.02 0.00 0.00 30.24 30.66 3k4m n GLN 420 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 3k4m h GLU 421 N 0.00 0.00 -5.54 -1.09 9.09 -1.93 -3.42 114.58 111.70 3k4m h GLU 421 Ca 0.00 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.81 3k4m h GLU 421 Cb 0.23 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 27.23 3k4m h GLU 421 CO 0.00 0.00 -0.05 0.34 0.05 0.00 0.00 179.01 179.35 3k4m s ASP 422 N -4.77 6.56 0.00 3.06 2.15 -0.25 -4.96 116.67 118.46 3k4m s ASP 422 Ca 0.07 0.67 0.08 0.00 0.43 0.00 0.00 52.55 53.81 3k4m s ASP 422 Cb 0.11 -2.29 0.37 0.00 -0.30 0.00 0.00 42.92 40.82 3k4m s ASP 422 CO 0.67 -0.17 1.26 -0.81 -0.17 0.00 0.00 175.17 175.95 3k4m n PRO 423 N 4.76 1.23 -4.36 4.34 -0.04 -1.26 -4.82 135.00 134.85 3k4m n PRO 423 Ca -0.05 -0.35 -0.24 0.00 -0.04 0.00 0.00 63.50 62.82 3k4m n PRO 423 Cb 0.50 -1.15 -0.12 0.00 -0.04 0.00 0.00 33.50 32.69 3k4m n PRO 423 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k4m s LEU 424 N -1.18 2.42 0.01 1.53 1.43 -1.26 -5.06 118.68 116.57 3k4m s LEU 424 Ca 0.14 -0.84 0.22 0.00 -1.03 0.00 0.00 54.13 52.61 3k4m s LEU 424 Cb 0.07 -0.96 -0.20 0.00 0.03 0.00 0.00 46.19 45.13 3k4m s LEU 424 CO 0.10 0.04 0.77 -0.81 0.23 0.00 0.00 176.35 176.68 3k4m n PRO 425 N 0.38 0.35 -2.38 1.29 -0.04 -1.26 -4.84 135.00 128.50 3k4m n PRO 425 Ca -0.14 -0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 62.82 3k4m n PRO 425 Cb 0.56 -1.54 -0.03 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 -3.26 3.99 0.57 0.52 1.01 -1.26 -4.62 121.20 118.16 3k4m s ILE 426 Ca 0.00 1.39 -0.20 0.00 0.00 0.00 0.00 60.65 61.85 3k4m s ILE 426 Cb 0.15 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 3k4m s ILE 426 CO 0.87 0.05 1.13 -2.65 0.00 0.00 0.00 174.94 174.34 3k4m n PRO 427 N 4.62 1.20 0.30 2.79 -0.02 -1.26 -4.88 135.00 137.75 3k4m n PRO 427 Ca 0.11 0.45 0.16 0.00 -2.02 0.00 0.00 63.50 62.20 3k4m n PRO 427 Cb 0.45 -2.32 0.95 0.00 -0.02 0.00 0.00 33.50 32.56 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 0.87 0.00 -0.25 6.00 0.04 -1.97 -2.41 116.94 119.21 3k4m h PHE 428 Ca -0.49 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.23 3k4m h PHE 428 Cb 1.34 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.46 3k4m h PHE 428 CO 0.41 0.02 -0.02 0.39 -0.60 0.00 0.00 178.31 178.51 3k4m n GLU 429 N -3.63 2.41 -2.22 1.51 1.02 -1.26 -4.98 120.64 113.49 3k4m n GLU 429 Ca -0.03 -2.90 -0.42 0.00 -0.02 0.00 0.00 57.16 53.79 3k4m n GLU 429 Cb 0.11 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 29.71 3k4m n GLU 429 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3k4m s ASP 430 N -2.23 6.83 1.05 1.62 2.15 -0.91 -4.92 116.67 120.26 3k4m s ASP 430 Ca 0.41 2.06 -0.12 0.00 0.43 0.00 0.00 52.55 55.33 3k4m s ASP 430 Cb 0.35 -2.55 0.22 0.00 -0.30 0.00 0.00 42.92 40.64 3k4m s ASP 430 CO 0.06 -0.77 1.07 -2.84 -0.17 0.00 0.00 175.17 172.52 3k4m s PRO 431 N 2.92 0.01 0.62 4.34 0.02 -1.26 -4.90 135.00 136.74 3k4m s PRO 431 Ca 0.64 0.89 -0.15 0.00 0.02 0.00 0.00 61.00 62.40 3k4m s PRO 431 Cb -0.30 -1.66 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 3k4m s PRO 431 CO 0.25 -3.12 1.07 -1.83 -0.33 0.00 0.00 177.00 173.04 3k4m s GLU 432 N -4.66 3.18 0.42 5.54 1.03 -1.26 -4.36 118.70 118.58 3k4m s GLU 432 Ca 0.67 1.22 -0.25 0.00 0.03 0.00 0.00 54.97 56.64 3k4m s GLU 432 Cb -0.22 -2.01 -0.08 0.00 -0.80 0.00 0.00 34.13 31.02 3k4m s GLU 432 CO 0.61 -0.93 1.21 -1.25 -1.33 0.00 0.00 175.26 173.58 3k4m s PRO 433 N -4.17 3.91 -0.39 -4.83 0.04 -1.26 -4.55 135.00 123.76 3k4m s PRO 433 Ca 0.64 1.93 0.09 0.00 0.04 0.00 0.00 61.00 63.70 3k4m s PRO 433 Cb -0.17 -2.62 0.29 0.00 0.04 0.00 0.00 34.50 32.05 3k4m s PRO 433 CO 0.39 -0.47 0.64 1.04 0.04 0.00 0.00 177.00 178.64 3k4m n GLN 434 N -0.09 0.82 -4.32 4.56 1.13 -1.25 -2.94 117.38 115.29 3k4m n GLN 434 Ca 0.05 -3.17 -0.35 0.00 -1.94 0.00 0.00 57.00 51.59 3k4m n GLN 434 Cb 0.46 -1.41 -0.09 0.00 0.11 0.00 0.00 30.24 29.31 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 -1.52 4.39 0.01 5.09 1.01 0.02 0.30 120.40 129.70 3k4m s VAL 435 Ca 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 3k4m s VAL 435 Cb 0.24 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 3k4m s VAL 435 CO -0.10 0.59 -0.00 0.28 0.00 0.00 0.00 175.10 175.86 3k4m s THR 436 N -0.69 0.09 -0.30 3.92 -1.32 -0.10 -0.65 115.64 116.59 3k4m s THR 436 Ca 0.11 -0.78 -0.04 0.00 -1.21 0.00 0.00 61.69 59.77 3k4m s THR 436 Cb -0.12 -0.26 0.03 0.00 -1.51 0.00 0.00 72.50 70.65 3k4m s THR 436 CO 0.02 -0.43 0.04 0.28 -2.21 0.00 0.00 174.62 172.33 3k4m s THR 437 N -1.28 3.42 0.74 5.08 -1.32 -1.26 -1.06 115.64 119.95 3k4m s THR 437 Ca -0.14 -1.12 -0.15 0.00 -1.21 0.00 0.00 61.69 59.07 3k4m s THR 437 Cb -0.09 -2.88 0.03 0.00 -1.51 0.00 0.00 72.50 68.06 3k4m s THR 437 CO -0.01 -0.05 1.16 0.18 -2.21 0.00 0.00 174.62 173.69 3k4m n LEU 438 N 4.74 4.61 -4.33 9.08 4.77 -1.26 -4.08 117.00 130.53 3k4m n LEU 438 Ca -0.14 0.68 -0.59 0.00 -0.03 0.00 0.00 56.01 55.93 3k4m n LEU 438 Cb 0.45 -1.49 -0.08 0.00 -2.33 0.00 0.00 43.42 39.97 3k4m n LEU 438 CO 0.29 -1.60 0.81 0.33 -1.33 0.00 0.00 177.39 175.88 3k4m n PHE 439 N -2.66 1.13 -4.09 -1.77 -0.00 -1.23 -4.95 117.46 103.89 3k4m n PHE 439 Ca 0.14 1.03 -0.07 0.00 -0.00 0.00 0.00 57.45 58.55 3k4m n PHE 439 Cb 0.49 -2.02 -0.10 0.00 -0.00 0.00 0.00 39.48 37.85 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 1.41 0.63 0.46 -4.13 -1.52 -0.52 -4.92 119.66 111.07 3k4m s GLN 440 Ca 0.92 -1.23 0.18 0.00 -1.95 0.00 0.00 55.36 53.28 3k4m s GLN 440 Cb -1.30 0.21 1.15 0.00 -0.22 0.00 0.00 33.01 32.86 3k4m s GLN 440 CO 0.65 -0.12 1.96 -1.35 -0.25 0.00 0.00 175.29 176.18 3k4m h PRO 441 N 3.13 0.28 -0.01 2.91 0.11 -1.99 0.12 132.00 136.55 3k4m h PRO 441 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3k4m h PRO 441 Cb 1.14 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3k4m h PRO 441 CO 0.65 0.18 -0.09 -1.13 -0.21 0.00 0.00 178.00 177.41 3k4m n SER 442 N -4.45 1.50 -3.10 -2.05 3.41 -1.26 -4.18 113.62 103.48 3k4m n SER 442 Ca 0.12 -1.37 -0.14 0.00 -0.26 0.00 0.00 58.87 57.22 3k4m n SER 442 Cb 0.50 0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 3k4m n SER 442 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3k4m s HIS 443 N -2.15 -0.45 -0.50 7.33 -3.43 0.27 -5.07 115.29 111.28 3k4m s HIS 443 Ca 0.33 -1.20 -0.07 0.00 -0.80 0.00 0.00 55.06 53.32 3k4m s HIS 443 Cb 0.20 -0.24 -0.21 0.00 -1.43 0.00 0.00 32.58 30.90 3k4m s HIS 443 CO 0.39 -1.06 3.41 -0.35 -2.00 0.00 0.00 174.74 175.13 3k4m n PRO 444 N 3.18 2.52 -3.78 -0.38 -0.04 -0.33 -1.44 135.00 134.73 3k4m n PRO 444 Ca 0.21 -1.37 -0.13 0.00 -0.04 0.00 0.00 63.50 62.17 3k4m n PRO 444 Cb 0.51 -2.25 -0.09 0.00 -0.04 0.00 0.00 33.50 31.64 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 1.37 -0.16 0.45 0.54 -2.14 -1.26 -4.34 118.94 113.40 3k4m s TRP 445 Ca 0.68 0.27 -0.18 0.00 2.66 0.00 0.00 56.10 59.53 3k4m s TRP 445 Cb 0.28 0.07 -0.09 0.00 -3.10 0.00 0.00 33.47 30.63 3k4m s TRP 445 CO -0.02 -0.34 0.93 -1.58 -2.66 0.00 0.00 176.95 173.28 3k4m s HIS 446 N -1.13 3.39 -0.01 1.66 5.65 0.12 -3.53 115.29 121.43 3k4m s HIS 446 Ca -0.12 1.46 0.02 0.00 0.25 0.00 0.00 55.06 56.67 3k4m s HIS 446 Cb -0.05 -2.76 -0.00 0.00 -1.18 0.00 0.00 32.58 28.59 3k4m s HIS 446 CO 0.03 -0.19 -0.06 0.95 -0.65 0.00 0.00 174.74 174.82 3k4m s THR 447 N -2.35 0.51 -0.06 0.89 -4.23 -1.26 -0.78 115.64 108.36 3k4m s THR 447 Ca 0.59 -0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.86 3k4m s THR 447 Cb -0.10 -0.45 0.02 0.00 1.34 0.00 0.00 72.50 73.31 3k4m s THR 447 CO 0.22 0.15 -0.09 -1.10 -0.54 0.00 0.00 174.62 173.27 3k4m s GLN 448 N -0.01 1.37 -0.38 3.99 -0.21 0.89 -4.39 119.66 120.92 3k4m s GLN 448 Ca 0.01 -0.29 0.02 0.00 0.02 0.00 0.00 55.36 55.11 3k4m s GLN 448 Cb -0.04 -1.21 0.12 0.00 1.00 0.00 0.00 33.01 32.88 3k4m s GLN 448 CO -0.00 -0.03 0.16 0.42 -2.12 0.00 0.00 175.29 173.72 3k4m s ILE 449 N 0.80 1.45 0.00 1.08 1.01 0.18 -0.81 121.20 124.92 3k4m s ILE 449 Ca -0.12 -2.16 0.00 0.00 0.00 0.00 0.00 60.65 58.37 3k4m s ILE 449 Cb -0.15 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.27 3k4m s ILE 449 CO 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 174.94 174.20 3k4m n HIS 450 N 4.10 -0.83 -4.04 3.97 1.44 -0.39 -0.80 115.22 118.68 3k4m n HIS 450 Ca 0.04 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.46 3k4m n HIS 450 Cb 0.38 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.33 3k4m n HIS 450 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3k4m s ARG 451 N -1.96 1.94 -0.08 -1.40 1.81 -1.15 -0.40 118.95 117.70 3k4m s ARG 451 Ca 0.00 -0.42 0.01 0.00 -1.72 0.00 0.00 55.73 53.59 3k4m s ARG 451 Cb 0.00 -1.83 -0.03 0.00 -0.45 0.00 0.00 34.95 32.64 3k4m s ARG 451 CO 0.00 -0.22 -0.07 0.34 -0.68 0.00 0.00 175.30 174.67 3k4m s ASP 452 N 1.50 4.59 -0.31 0.23 -1.08 -1.26 -5.00 116.67 115.34 3k4m s ASP 452 Ca 0.03 -0.05 -0.37 0.00 -0.52 0.00 0.00 52.55 51.63 3k4m s ASP 452 Cb -0.13 -1.22 -0.17 0.00 -1.46 0.00 0.00 42.92 39.95 3k4m s ASP 452 CO -0.08 0.34 1.21 0.00 0.52 0.00 0.00 175.17 177.16 3k4m n ALA 453 N 2.39 -1.61 -2.84 3.66 0.00 -1.26 -4.87 120.51 115.97 3k4m n ALA 453 Ca -0.18 0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.56 3k4m n ALA 453 Cb 0.53 -1.55 -0.11 0.00 0.00 0.00 0.00 19.45 18.31 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 1.86 0.72 -0.67 0.00 5.36 -1.26 -4.67 117.98 119.32 3k4m s PHE 454 Ca 0.84 -0.50 -0.21 0.00 -0.96 0.00 0.00 56.93 56.10 3k4m s PHE 454 Cb -1.19 -0.43 0.09 0.00 -0.34 0.00 0.00 43.02 41.15 3k4m s PHE 454 CO 0.63 -0.07 0.90 0.45 -1.46 0.00 0.00 175.22 175.66 3k4m s SER 455 N -1.60 6.23 -0.27 6.13 0.15 -1.26 -4.79 113.70 118.29 3k4m s SER 455 Ca -0.09 -1.26 -0.29 0.00 0.70 0.00 0.00 55.95 55.01 3k4m s SER 455 Cb -0.10 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3k4m s SER 455 CO 0.01 -1.29 1.20 0.26 1.20 0.00 0.00 173.24 174.61 3k4m s TRP 456 N 3.44 2.93 1.12 3.44 0.23 -1.26 -5.03 118.94 123.81 3k4m s TRP 456 Ca 0.20 1.06 -0.12 0.00 -2.03 0.00 0.00 56.10 55.21 3k4m s TRP 456 Cb -0.18 -3.68 0.26 0.00 0.03 0.00 0.00 33.47 29.90 3k4m s TRP 456 CO 0.07 -1.31 1.05 0.20 0.96 0.00 0.00 176.95 177.92 3k4m s GLY 457 N 2.09 1.57 0.09 0.98 0.00 -1.26 -4.80 107.32 105.99 3k4m s GLY 457 Ca 0.51 -0.04 -0.27 0.00 0.00 0.00 0.00 44.72 44.93 3k4m s GLY 457 CO 0.17 0.63 1.69 0.00 0.00 0.00 0.00 173.10 175.58 3k4m h ALA 458 N -2.46 -0.37 0.34 3.20 0.00 -1.99 -1.77 119.26 116.20 3k4m h ALA 458 Ca -0.58 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 3k4m h ALA 458 Cb 1.32 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3k4m h ALA 458 CO 0.50 -0.71 -0.16 -0.24 0.00 0.00 0.00 179.25 178.63 3k4m h VAL 459 N -0.38 0.68 -0.94 0.00 3.04 -1.98 -2.45 116.25 114.22 3k4m h VAL 459 Ca -0.03 -0.24 0.26 0.00 -1.01 0.00 0.00 66.70 65.69 3k4m h VAL 459 Cb 0.31 0.81 -0.14 0.00 -2.01 0.00 0.00 31.29 30.26 3k4m h VAL 459 CO 0.03 0.05 0.44 1.56 -1.01 0.00 0.00 177.57 178.64 3k4m h GLN 460 N -0.59 0.34 0.00 4.17 4.20 -1.83 1.31 115.11 122.72 3k4m h GLN 460 Ca -0.05 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3k4m h GLN 460 Cb 0.43 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3k4m h GLN 460 CO 0.08 0.22 0.05 1.04 -0.67 0.00 0.00 178.83 179.56 3k4m n GLN 461 N -5.07 0.12 0.24 1.46 6.02 -0.67 -0.28 117.38 119.19 3k4m n GLN 461 Ca 0.26 0.61 0.15 0.00 -0.01 0.00 0.00 57.00 58.01 3k4m n GLN 461 Cb 0.79 -1.94 0.49 0.00 1.02 0.00 0.00 30.24 30.60 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 -3.15 1.08 0.87 0.18 -3.45 113.55 109.07 3k4m h SER 462 Ca 0.00 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.96 3k4m h SER 462 Cb 0.11 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.98 3k4m h SER 462 CO 0.00 0.00 -0.34 -0.63 -0.53 0.00 0.00 176.83 175.33 3k4m s ILE 463 N -3.46 5.30 0.24 2.23 -1.09 0.62 -5.03 121.20 120.01 3k4m s ILE 463 Ca 0.04 0.52 -0.30 0.00 -2.23 0.00 0.00 60.65 58.67 3k4m s ILE 463 Cb 0.08 -3.60 -0.10 0.00 -1.58 0.00 0.00 42.46 37.26 3k4m s ILE 463 CO 0.57 0.46 1.47 -0.62 -1.23 0.00 0.00 174.94 175.59 3k4m s ASP 464 N 0.01 6.62 0.35 3.58 -1.08 -1.26 -4.82 116.67 120.07 3k4m s ASP 464 Ca 0.17 2.68 0.27 0.00 -0.52 0.00 0.00 52.55 55.14 3k4m s ASP 464 Cb -0.13 -2.62 1.05 0.00 -1.46 0.00 0.00 42.92 39.76 3k4m s ASP 464 CO 0.05 -0.73 1.80 0.77 0.52 0.00 0.00 175.17 177.57 3k4m h SER 465 N 5.30 0.00 0.59 -0.34 4.64 -1.93 -1.71 113.55 120.10 3k4m h SER 465 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3k4m h SER 465 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3k4m h SER 465 CO 0.80 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.30 3k4m n ARG 466 N -2.54 0.17 0.06 4.77 1.74 -1.26 -1.85 116.66 117.74 3k4m n ARG 466 Ca 0.02 0.44 0.12 0.00 -0.77 0.00 0.00 57.85 57.67 3k4m n ARG 466 Cb 0.29 -1.84 0.29 0.00 -1.02 0.00 0.00 32.46 30.18 3k4m n ARG 466 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3k4m n LEU 467 N -2.16 0.64 -4.63 0.55 4.77 -0.64 -4.93 117.00 110.60 3k4m n LEU 467 Ca 0.02 0.32 -0.34 0.00 -0.03 0.00 0.00 56.01 55.98 3k4m n LEU 467 Cb 0.19 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 40.92 3k4m n LEU 467 CO 0.17 -0.06 -0.27 -0.63 -1.33 0.00 0.00 177.39 175.27 3k4m s ILE 468 N -3.11 4.64 -0.02 -0.08 1.01 -0.77 0.33 121.20 123.20 3k4m s ILE 468 Ca 0.09 -0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.70 3k4m s ILE 468 Cb 0.14 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 3k4m s ILE 468 CO 0.66 0.49 -0.18 -0.69 0.00 0.00 0.00 174.94 175.22 3k4m s VAL 469 N 0.18 1.42 0.08 2.92 1.01 -0.67 -4.93 120.40 120.41 3k4m s VAL 469 Ca 0.03 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.12 3k4m s VAL 469 Cb -0.12 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 35.00 3k4m s VAL 469 CO 0.01 0.40 0.47 -1.81 0.00 0.00 0.00 175.10 174.17 3k4m s ASP 470 N -0.34 6.79 -0.11 3.32 1.01 0.46 -0.98 116.67 126.82 3k4m s ASP 470 Ca 0.05 0.98 0.00 0.00 0.71 0.00 0.00 52.55 54.29 3k4m s ASP 470 Cb -0.08 -2.25 0.02 0.00 1.01 0.00 0.00 42.92 41.62 3k4m s ASP 470 CO -0.00 0.20 -0.10 0.26 0.21 0.00 0.00 175.17 175.74 3k4m s TRP 471 N -1.31 1.58 -0.06 4.23 0.52 -0.30 -1.26 118.94 122.33 3k4m s TRP 471 Ca 0.32 -0.76 0.00 0.00 0.02 0.00 0.00 56.10 55.68 3k4m s TRP 471 Cb -0.16 -1.25 0.02 0.00 -1.15 0.00 0.00 33.47 30.94 3k4m s TRP 471 CO 0.17 -0.48 -0.04 1.03 0.02 0.00 0.00 176.95 177.66 3k4m s ARG 472 N 1.41 0.89 -0.09 4.98 0.52 0.01 -2.25 118.95 124.41 3k4m s ARG 472 Ca 0.00 -0.06 0.04 0.00 -0.52 0.00 0.00 55.73 55.19 3k4m s ARG 472 Cb -0.13 -1.01 -0.00 0.00 0.52 0.00 0.00 34.95 34.32 3k4m s ARG 472 CO -0.06 -0.18 -0.23 -0.06 0.02 0.00 0.00 175.30 174.79 3k4m s PHE 473 N 1.39 2.56 -0.15 -0.53 0.40 -0.91 -0.08 117.98 120.66 3k4m s PHE 473 Ca -0.03 -0.95 0.00 0.00 -0.60 0.00 0.00 56.93 55.35 3k4m s PHE 473 Cb -0.13 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 3k4m s PHE 473 CO -0.03 -0.36 -0.15 -0.06 0.70 0.00 0.00 175.22 175.33 3k4m s PHE 474 N 0.24 2.78 0.33 0.36 0.40 0.04 -2.18 117.98 119.95 3k4m s PHE 474 Ca -0.15 -0.90 0.04 0.00 -0.60 0.00 0.00 56.93 55.31 3k4m s PHE 474 Cb -0.17 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.47 3k4m s PHE 474 CO 0.08 -0.39 0.49 0.20 0.70 0.00 0.00 175.22 176.30 3k4m s GLY 475 N 0.66 1.41 -0.06 4.36 0.00 -0.35 -0.70 107.32 112.65 3k4m s GLY 475 Ca -0.08 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.42 3k4m s GLY 475 CO 0.02 -1.13 0.13 1.09 0.00 0.00 0.00 173.10 173.22 3k4m s ARG 476 N -4.22 3.34 -0.14 2.90 1.70 -1.26 -3.89 118.95 117.38 3k4m s ARG 476 Ca 0.41 -0.28 0.00 0.00 -0.47 0.00 0.00 55.73 55.39 3k4m s ARG 476 Cb -0.09 -3.07 -0.01 0.00 -0.57 0.00 0.00 34.95 31.21 3k4m s ARG 476 CO 0.33 0.71 -0.15 0.99 -1.08 0.00 0.00 175.30 176.10 3k4m s THR 477 N -1.16 2.80 0.28 4.99 2.01 -1.26 -4.77 115.64 118.54 3k4m s THR 477 Ca 0.21 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 3k4m s THR 477 Cb -0.12 -2.18 -0.10 0.00 0.01 0.00 0.00 72.50 70.11 3k4m s THR 477 CO 0.11 0.52 1.35 -1.83 -0.69 0.00 0.00 174.62 174.08 3k4m s GLU 478 N 0.59 4.33 -0.07 4.92 -1.05 -1.26 -4.05 118.70 122.11 3k4m s GLU 478 Ca -0.09 2.22 -0.30 0.00 -0.15 0.00 0.00 54.97 56.65 3k4m s GLU 478 Cb -0.16 -3.10 -0.04 0.00 -0.44 0.00 0.00 34.13 30.39 3k4m s GLU 478 CO 0.03 -0.27 1.42 -2.14 0.95 0.00 0.00 175.26 175.25 3k4m s PRO 479 N -1.06 4.24 -0.04 -4.83 0.02 -1.26 -4.85 135.00 127.22 3k4m s PRO 479 Ca 0.53 1.91 0.04 0.00 0.02 0.00 0.00 61.00 63.51 3k4m s PRO 479 Cb -0.40 -3.75 -0.00 0.00 0.02 0.00 0.00 34.50 30.37 3k4m s PRO 479 CO 0.47 -0.68 -0.16 0.15 -0.33 0.00 0.00 177.00 176.45 3k4m s LYS 480 N 3.19 1.64 0.47 5.54 -0.14 -1.26 -4.99 119.74 124.19 3k4m s LYS 480 Ca 0.63 -0.55 0.16 0.00 -1.36 0.00 0.00 55.97 54.85 3k4m s LYS 480 Cb -0.28 -1.44 1.14 0.00 -1.68 0.00 0.00 37.83 35.56 3k4m s LYS 480 CO 0.23 0.22 2.02 1.49 -0.76 0.00 0.00 175.35 178.55 3k4m h GLU 481 N 6.29 0.25 0.00 1.68 4.81 -1.94 -1.34 114.58 124.33 3k4m h GLU 481 Ca -0.33 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3k4m h GLU 481 Cb 1.17 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3k4m h GLU 481 CO 0.48 0.17 -0.12 -0.85 -0.73 0.00 0.00 179.01 177.96 3k4m n GLU 482 N -4.46 0.07 -2.61 1.92 0.00 -1.26 -3.87 120.64 110.43 3k4m n GLU 482 Ca 0.07 0.05 -0.43 0.00 0.00 0.00 0.00 57.16 56.85 3k4m n GLU 482 Cb 0.35 -1.57 -0.02 0.00 0.00 0.00 0.00 31.44 30.19 3k4m n GLU 482 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 3k4m s ASN 483 N -3.38 6.69 0.13 -1.84 0.01 -0.52 -4.76 114.94 111.29 3k4m s ASN 483 Ca 0.12 0.59 0.08 0.00 -0.71 0.00 0.00 52.86 52.94 3k4m s ASN 483 Cb 0.17 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.24 3k4m s ASN 483 CO 0.58 -1.18 -0.18 -0.54 -1.51 0.00 0.00 177.10 174.27 3k4m s LYS 484 N 4.30 1.16 -0.20 -0.60 1.02 0.22 -1.71 119.74 123.93 3k4m s LYS 484 Ca 0.48 -1.28 0.01 0.00 0.02 0.00 0.00 55.97 55.20 3k4m s LYS 484 Cb -0.08 -1.25 0.04 0.00 -0.52 0.00 0.00 37.83 36.02 3k4m s LYS 484 CO 0.28 0.26 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.70 3k4m s LEU 485 N -2.34 2.28 0.34 3.17 2.96 0.27 -0.26 118.68 125.08 3k4m s LEU 485 Ca 0.11 -0.86 0.03 0.00 -0.22 0.00 0.00 54.13 53.19 3k4m s LEU 485 Cb -0.07 -1.26 -0.05 0.00 0.50 0.00 0.00 46.19 45.31 3k4m s LEU 485 CO 0.05 -0.13 0.09 -1.66 -1.32 0.00 0.00 176.35 173.38 3k4m s TRP 486 N 1.38 1.82 -0.08 5.38 1.48 0.52 -4.54 118.94 124.91 3k4m s TRP 486 Ca -0.01 -1.11 0.03 0.00 -1.06 0.00 0.00 56.10 53.95 3k4m s TRP 486 Cb -0.16 -1.17 0.01 0.00 -1.16 0.00 0.00 33.47 31.00 3k4m s TRP 486 CO -0.09 -0.16 -0.15 -0.06 -4.06 0.00 0.00 176.95 172.44 3k4m s PHE 487 N -3.36 1.73 0.35 1.66 0.08 -1.26 -0.37 117.98 116.82 3k4m s PHE 487 Ca 0.33 -0.68 -0.28 0.00 0.12 0.00 0.00 56.93 56.42 3k4m s PHE 487 Cb 0.07 -1.23 -0.11 0.00 -0.57 0.00 0.00 43.02 41.18 3k4m s PHE 487 CO 0.15 -0.32 1.42 0.45 -0.10 0.00 0.00 175.22 176.82 3k4m s SER 488 N 0.62 6.51 0.00 1.36 0.15 0.19 -0.24 113.70 122.29 3k4m s SER 488 Ca -0.15 2.91 0.29 0.00 0.70 0.00 0.00 55.95 59.69 3k4m s SER 488 Cb -0.16 -2.66 1.33 0.00 -1.71 0.00 0.00 66.02 62.82 3k4m s SER 488 CO 0.04 -0.74 1.90 -0.90 1.20 0.00 0.00 173.24 174.74 3k4m n ASP 489 N 0.67 0.96 0.00 5.45 5.68 -1.26 -4.13 116.55 123.92 3k4m n ASP 489 Ca 0.01 -1.34 0.00 0.00 -0.50 0.00 0.00 54.79 52.96 3k4m n ASP 489 Cb 0.40 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 3k4m n ASP 489 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 3k4m n LYS 490 N -0.24 0.00 -2.55 0.11 0.00 -1.26 -5.04 118.16 109.18 3k4m n LYS 490 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 58.31 58.10 3k4m n LYS 490 Cb 0.26 -0.69 -0.04 0.00 0.00 0.00 0.00 35.03 34.57 3k4m n LYS 490 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3k4m s ILE 491 N -1.75 4.12 0.28 3.15 -1.09 -1.26 -5.00 121.20 119.65 3k4m s ILE 491 Ca 0.00 1.71 0.10 0.00 -2.23 0.00 0.00 60.65 60.23 3k4m s ILE 491 Cb 0.00 -4.09 -0.05 0.00 -1.58 0.00 0.00 42.46 36.74 3k4m s ILE 491 CO 0.00 0.24 -0.08 0.42 -1.23 0.00 0.00 174.94 174.29 3k4m s THR 492 N 0.23 2.92 0.24 2.92 -4.23 -1.26 -1.00 115.64 115.46 3k4m s THR 492 Ca 0.51 -2.12 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 3k4m s THR 492 Cb -0.27 -2.62 0.04 0.00 1.34 0.00 0.00 72.50 70.99 3k4m s THR 492 CO 0.32 -0.36 0.32 -0.90 -0.54 0.00 0.00 174.62 173.47 3k4m n ASP 493 N -0.80 0.56 0.06 3.99 5.68 0.38 -4.73 116.55 121.70 3k4m n ASP 493 Ca -0.05 -1.44 0.05 0.00 -0.50 0.00 0.00 54.79 52.84 3k4m n ASP 493 Cb 0.60 -0.20 0.26 0.00 -1.14 0.00 0.00 41.12 40.64 3k4m n ASP 493 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k4m n ALA 494 N -2.90 1.15 -0.36 2.12 0.00 -1.26 -0.38 120.51 118.88 3k4m n ALA 494 Ca -0.05 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.51 3k4m n ALA 494 Cb 0.21 -1.16 0.16 0.00 0.00 0.00 0.00 19.45 18.66 3k4m n ALA 494 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3k4m n TYR 495 N -1.79 0.49 -1.96 0.00 4.02 -1.26 -4.96 117.16 111.70 3k4m n TYR 495 Ca 0.00 -0.60 -0.06 0.00 -0.01 0.00 0.00 57.90 57.24 3k4m n TYR 495 Cb 0.05 -0.09 -0.01 0.00 -0.02 0.00 0.00 39.34 39.27 3k4m n TYR 495 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3k4m n ASN 496 N 0.11 -2.62 -4.78 7.72 4.13 0.49 -5.02 115.26 115.29 3k4m n ASN 496 Ca 0.12 0.02 -0.23 0.00 1.68 0.00 0.00 54.58 56.18 3k4m n ASN 496 Cb 0.51 -1.76 -0.05 0.00 -1.54 0.00 0.00 39.78 36.94 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 -4.00 2.78 0.14 3.52 -1.94 -1.26 -4.79 119.30 113.74 3k4m s MET 497 Ca 0.00 -1.11 -0.34 0.00 -1.71 0.00 0.00 55.69 52.52 3k4m s MET 497 Cb 0.00 -2.48 -0.15 0.00 2.01 0.00 0.00 34.83 34.21 3k4m s MET 497 CO 0.00 0.40 1.40 -2.30 -0.01 0.00 0.00 175.02 174.52 3k4m n PRO 498 N -0.99 1.60 -2.28 2.03 -0.02 -1.26 -0.47 135.00 133.61 3k4m n PRO 498 Ca -0.08 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 3k4m n PRO 498 Cb 0.58 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 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 0.38 4.28 0.41 -0.52 2.00 -0.17 -4.65 119.66 121.40 3k4m s GLN 499 Ca 0.79 1.89 -0.24 0.00 -2.00 0.00 0.00 55.36 55.80 3k4m s GLN 499 Cb -0.81 -3.63 -0.09 0.00 0.80 0.00 0.00 33.01 29.29 3k4m s GLN 499 CO 0.45 -0.59 1.09 -1.25 -0.50 0.00 0.00 175.29 174.49 3k4m s PRO 500 N 2.62 4.06 -0.09 1.67 0.04 -1.26 -0.63 135.00 141.40 3k4m s PRO 500 Ca 0.62 1.61 -0.06 0.00 0.04 0.00 0.00 61.00 63.22 3k4m s PRO 500 Cb -0.29 -2.53 0.04 0.00 0.04 0.00 0.00 34.50 31.76 3k4m s PRO 500 CO 0.24 -0.26 0.22 0.99 0.04 0.00 0.00 177.00 178.24 3k4m s THR 501 N -1.60 -0.03 0.02 1.26 2.01 0.51 -4.57 115.64 113.24 3k4m s THR 501 Ca 0.59 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.68 3k4m s THR 501 Cb -0.25 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 3k4m s THR 501 CO 0.31 0.04 0.17 -0.36 -0.69 0.00 0.00 174.62 174.09 3k4m s PHE 502 N 0.91 3.49 -0.45 4.92 0.08 -1.26 -0.35 117.98 125.31 3k4m s PHE 502 Ca -0.07 0.29 0.02 0.00 0.12 0.00 0.00 56.93 57.30 3k4m s PHE 502 Cb -0.08 -1.78 0.13 0.00 -0.57 0.00 0.00 43.02 40.72 3k4m s PHE 502 CO -0.06 0.61 0.24 0.34 -0.10 0.00 0.00 175.22 176.25 3k4m s ASP 503 N -2.12 3.78 -0.03 1.36 -1.08 0.64 -4.66 116.67 114.57 3k4m s ASP 503 Ca 0.29 -2.68 0.01 0.00 -0.52 0.00 0.00 52.55 49.65 3k4m s ASP 503 Cb -0.13 -1.15 0.02 0.00 -1.46 0.00 0.00 42.92 40.21 3k4m s ASP 503 CO 0.21 -0.26 -0.02 0.12 0.52 0.00 0.00 175.17 175.74 3k4m s PHE 504 N 0.26 0.45 0.01 -5.34 2.19 -0.22 -0.61 117.98 114.73 3k4m s PHE 504 Ca 0.17 -0.07 0.01 0.00 0.33 0.00 0.00 56.93 57.37 3k4m s PHE 504 Cb -0.25 -0.45 -0.01 0.00 -1.31 0.00 0.00 43.02 41.00 3k4m s PHE 504 CO 0.00 -0.13 -0.04 1.03 1.83 0.00 0.00 175.22 177.92 3k4m s ARG 505 N 0.80 0.31 0.12 10.12 1.81 -1.26 -3.99 118.95 126.85 3k4m s ARG 505 Ca -0.09 -0.37 -0.31 0.00 -1.72 0.00 0.00 55.73 53.24 3k4m s ARG 505 Cb -0.12 -0.15 -0.10 0.00 -0.45 0.00 0.00 34.95 34.13 3k4m s ARG 505 CO -0.01 0.03 1.79 -0.06 -0.68 0.00 0.00 175.30 176.37 3k4m s PHE 506 N -0.70 2.24 0.50 -0.53 0.08 -1.26 -4.89 117.98 113.42 3k4m s PHE 506 Ca -0.06 0.06 -0.23 0.00 0.12 0.00 0.00 56.93 56.83 3k4m s PHE 506 Cb -0.05 -4.13 -0.06 0.00 -0.57 0.00 0.00 43.02 38.20 3k4m s PHE 506 CO -0.00 -4.64 1.34 -2.14 -0.10 0.00 0.00 175.22 169.67 3k4m s PRO 507 N 2.64 3.41 0.77 0.24 0.02 -1.26 -4.85 135.00 135.97 3k4m s PRO 507 Ca 0.79 2.19 -0.12 0.00 0.02 0.00 0.00 61.00 63.89 3k4m s PRO 507 Cb -0.45 -2.40 0.05 0.00 0.02 0.00 0.00 34.50 31.72 3k4m s PRO 507 CO 0.35 -0.96 1.11 0.00 -0.33 0.00 0.00 177.00 177.17 3k4m s ALA 508 N -1.32 2.53 0.00 -1.55 0.00 -1.26 -2.68 121.76 117.49 3k4m s ALA 508 Ca 0.67 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.28 3k4m s ALA 508 Cb -0.39 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3k4m s ALA 508 CO 0.47 -1.52 0.00 0.41 0.00 0.00 0.00 175.76 175.12 3k4m n GLY 509 N -2.65 0.74 0.34 0.00 0.00 -1.26 -4.47 105.19 97.88 3k4m n GLY 509 Ca 0.07 -1.25 0.03 0.00 0.00 0.00 0.00 46.02 44.87 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 0.94 -0.54 1.61 2.43 -1.99 -1.72 114.38 115.10 3k4m h ARG 510 Ca 0.00 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3k4m h ARG 510 Cb 0.00 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 3k4m h ARG 510 CO 0.00 0.62 0.21 1.15 -1.51 0.00 0.00 179.97 180.44 3k4m h THR 511 N 0.96 1.22 -0.03 0.20 2.02 -1.78 0.66 112.91 116.16 3k4m h THR 511 Ca 0.42 -0.69 -0.25 0.00 0.77 0.00 0.00 66.41 66.66 3k4m h THR 511 Cb 0.30 0.66 0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3k4m h THR 511 CO -0.22 0.26 -0.95 0.28 0.37 0.00 0.00 175.52 175.27 3k4m h SER 512 N 0.74 0.89 -0.35 4.18 0.02 -1.17 -1.45 113.55 116.40 3k4m h SER 512 Ca 0.18 -0.72 -0.09 0.00 -0.84 0.00 0.00 61.79 60.32 3k4m h SER 512 Cb 0.21 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3k4m h SER 512 CO -0.01 1.48 -0.15 0.50 -1.14 0.00 0.00 176.83 177.51 3k4m h LYS 513 N 0.37 0.72 -0.58 3.45 3.64 -1.22 -2.21 116.57 120.73 3k4m h LYS 513 Ca -0.11 -0.31 -0.04 0.00 -1.27 0.00 0.00 60.65 58.93 3k4m h LYS 513 Cb 1.60 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.37 3k4m h LYS 513 CO 0.19 0.91 0.21 0.93 -2.27 0.00 0.00 179.45 179.42 3k4m h GLU 514 N 0.50 0.86 -0.30 1.90 5.08 -0.89 -0.82 114.58 120.91 3k4m h GLU 514 Ca 0.08 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3k4m h GLU 514 Cb 0.69 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3k4m h GLU 514 CO 0.05 0.72 0.13 0.00 -1.00 0.00 0.00 179.01 178.90 3k4m h ALA 515 N 1.40 0.36 -0.03 3.43 0.00 -0.66 0.20 119.26 123.95 3k4m h ALA 515 Ca 0.20 0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 3k4m h ALA 515 Cb 0.19 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.98 3k4m h ALA 515 CO -0.02 -0.26 -0.98 1.49 0.00 0.00 0.00 179.25 179.48 3k4m h GLU 516 N 0.28 0.70 -0.77 0.00 4.57 -1.40 -2.50 114.58 115.45 3k4m h GLU 516 Ca 0.13 -0.71 0.11 0.00 -1.18 0.00 0.00 59.36 57.71 3k4m h GLU 516 Cb 0.07 0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 3k4m h GLU 516 CO -0.11 1.30 0.50 -0.44 -1.18 0.00 0.00 179.01 179.08 3k4m h ASP 517 N 0.42 0.56 -0.28 1.04 3.32 -1.03 -2.18 116.42 118.27 3k4m h ASP 517 Ca -0.11 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 3k4m h ASP 517 Cb 1.62 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 41.07 3k4m h ASP 517 CO 0.19 0.32 0.01 -0.03 -1.72 0.00 0.00 179.24 178.02 3k4m h MET 518 N 0.62 0.48 -0.84 3.56 4.05 -0.31 -1.23 114.93 121.26 3k4m h MET 518 Ca 0.36 -0.15 0.02 0.00 -0.28 0.00 0.00 59.70 59.65 3k4m h MET 518 Cb 0.57 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.27 3k4m h MET 518 CO -0.13 0.63 0.55 1.98 0.23 0.00 0.00 176.91 180.17 3k4m h MET 519 N 0.28 1.08 -0.26 0.39 1.85 -1.22 -0.09 114.93 116.96 3k4m h MET 519 Ca 0.08 -0.06 -0.12 0.00 -0.61 0.00 0.00 59.70 58.98 3k4m h MET 519 Cb 0.40 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 32.18 3k4m h MET 519 CO 0.01 0.71 -0.35 1.15 -0.40 0.00 0.00 176.91 178.03 3k4m h THR 520 N 1.11 1.29 -0.37 -0.77 2.02 -1.22 -2.31 112.91 112.66 3k4m h THR 520 Ca 0.32 -1.48 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 3k4m h THR 520 Cb -0.08 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3k4m h THR 520 CO -0.08 0.47 0.11 -0.78 0.37 0.00 0.00 175.52 175.60 3k4m h ASP 521 N 0.47 0.54 -0.71 4.18 3.58 -0.24 -1.31 116.42 122.93 3k4m h ASP 521 Ca 0.05 -0.22 0.06 0.00 0.42 0.00 0.00 57.03 57.34 3k4m h ASP 521 Cb 0.83 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 41.69 3k4m h ASP 521 CO 0.07 0.62 0.41 -0.03 -2.88 0.00 0.00 179.24 177.42 3k4m h MET 522 N 0.45 0.73 -0.07 0.28 4.05 -0.87 0.56 114.93 120.06 3k4m h MET 522 Ca 0.12 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3k4m h MET 522 Cb 0.27 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 30.91 3k4m h MET 522 CO -0.00 0.48 0.03 0.00 0.23 0.00 0.00 176.91 177.65 3k4m h VAL 524 N -0.01 1.07 0.21 0.00 2.07 -1.13 -2.72 116.25 115.75 3k4m h VAL 524 Ca 0.02 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3k4m h VAL 524 Cb 0.12 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3k4m h VAL 524 CO -0.00 0.07 -0.10 -0.03 0.02 0.00 0.00 177.57 177.52 3k4m h MET 525 N 0.06 -0.28 -0.23 1.57 -1.53 -0.79 -3.00 114.93 110.73 3k4m h MET 525 Ca 0.03 0.02 0.07 0.00 -3.44 0.00 0.00 59.70 56.38 3k4m h MET 525 Cb 0.06 0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.17 3k4m h MET 525 CO -0.01 0.01 0.18 0.66 0.14 0.00 0.00 176.91 177.89 3k4m h SER 526 N -0.55 0.00 0.44 1.39 4.64 -1.07 -0.76 113.55 117.63 3k4m h SER 526 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3k4m h SER 526 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3k4m h SER 526 CO 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 3k4m n ALA 527 N -2.53 1.46 0.82 5.18 0.00 -1.03 -1.70 120.51 122.72 3k4m n ALA 527 Ca 0.03 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.65 3k4m n ALA 527 Cb 0.33 -1.28 0.43 0.00 0.00 0.00 0.00 19.45 18.92 3k4m n ALA 527 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3k4m n LYS 528 N -1.94 0.12 -0.10 0.00 5.02 -0.29 -4.13 118.16 116.83 3k4m n LYS 528 Ca 0.02 0.08 -0.14 0.00 -2.02 0.00 0.00 58.31 56.24 3k4m n LYS 528 Cb 0.15 -1.62 -0.10 0.00 -0.02 0.00 0.00 35.03 33.44 3k4m n LYS 528 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3k4m n ILE 529 N -1.82 1.22 -3.59 -0.18 2.08 -0.69 -4.99 119.36 111.39 3k4m n ILE 529 Ca 0.06 -0.50 0.01 0.00 0.56 0.00 0.00 62.75 62.88 3k4m n ILE 529 Cb 0.38 -1.17 -0.01 0.00 -0.75 0.00 0.00 39.64 38.09 3k4m n ILE 529 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3k4m s GLY 530 N -5.95 -0.41 0.68 7.39 0.00 -1.00 -0.17 107.32 107.86 3k4m s GLY 530 Ca -0.26 1.12 -0.11 0.00 0.00 0.00 0.00 44.72 45.47 3k4m s GLY 530 CO 0.52 0.28 1.06 -0.32 0.00 0.00 0.00 173.10 174.64 3k4m s GLY 531 N -2.74 1.65 0.25 0.20 0.00 -1.24 -3.88 107.32 101.55 3k4m s GLY 531 Ca 0.14 -0.15 -0.31 0.00 0.00 0.00 0.00 44.72 44.39 3k4m s GLY 531 CO -0.05 0.17 1.66 0.69 0.00 0.00 0.00 173.10 175.57 3k4m n PHE 532 N -2.96 2.79 -1.94 1.90 3.72 -1.26 -0.39 117.46 119.32 3k4m n PHE 532 Ca 0.07 0.15 -0.43 0.00 -0.05 0.00 0.00 57.45 57.19 3k4m n PHE 532 Cb 0.55 -2.64 -0.03 0.00 -0.94 0.00 0.00 39.48 36.43 3k4m n PHE 532 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3k4m s LEU 533 N 0.37 3.90 0.23 4.37 2.96 0.30 -4.70 118.68 126.12 3k4m s LEU 533 Ca 0.70 1.86 -0.30 0.00 -0.22 0.00 0.00 54.13 56.16 3k4m s LEU 533 Cb -0.50 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 42.51 3k4m s LEU 533 CO 0.40 -1.36 1.02 -2.65 -1.32 0.00 0.00 176.35 172.44 3k4m n PRO 534 N 7.86 1.11 0.00 0.98 -0.02 -1.26 -0.57 135.00 143.10 3k4m n PRO 534 Ca 0.21 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3k4m n PRO 534 Cb 0.44 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3k4m n PRO 534 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4m n GLY 535 N 1.62 3.27 2.51 -1.23 0.00 -1.26 -4.74 105.19 105.37 3k4m n GLY 535 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 0.05 3.44 -4.79 1.61 7.64 0.27 -5.06 113.62 116.78 3k4m n SER 536 Ca 0.00 -3.26 -0.32 0.00 1.01 0.00 0.00 58.87 56.30 3k4m n SER 536 Cb 0.00 -0.47 0.04 0.00 -1.01 0.00 0.00 64.21 62.78 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 -3.44 3.30 0.16 -3.43 1.43 -1.24 -1.18 118.68 114.27 3k4m s LEU 537 Ca 0.40 1.81 -0.32 0.00 -1.03 0.00 0.00 54.13 54.99 3k4m s LEU 537 Cb 0.41 -4.53 -0.12 0.00 0.03 0.00 0.00 46.19 41.99 3k4m s LEU 537 CO -0.07 -1.51 1.76 -0.81 0.23 0.00 0.00 176.35 175.95 3k4m n PRO 538 N -2.67 2.68 -3.54 1.29 -0.04 -1.25 -4.58 135.00 126.88 3k4m n PRO 538 Ca 0.09 0.97 -0.17 0.00 -0.04 0.00 0.00 63.50 64.35 3k4m n PRO 538 Cb 0.53 -2.83 -0.06 0.00 -0.04 0.00 0.00 33.50 31.10 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 1.87 1.03 0.05 0.54 -2.07 -0.65 -4.98 119.66 115.46 3k4m s GLN 539 Ca 0.79 0.10 -0.28 0.00 -1.82 0.00 0.00 55.36 54.15 3k4m s GLN 539 Cb -0.53 0.48 -0.05 0.00 -1.09 0.00 0.00 33.01 31.83 3k4m s GLN 539 CO 0.36 -0.34 0.88 -0.06 -1.32 0.00 0.00 175.29 174.81 3k4m s PHE 540 N -1.55 3.74 0.51 9.60 0.08 -1.26 -1.09 117.98 128.01 3k4m s PHE 540 Ca -0.10 1.63 -0.16 0.00 0.12 0.00 0.00 56.93 58.43 3k4m s PHE 540 Cb -0.01 -2.97 -0.08 0.00 -0.57 0.00 0.00 43.02 39.39 3k4m s PHE 540 CO 0.06 0.18 0.98 -1.64 -0.10 0.00 0.00 175.22 174.69 3k4m s MET 541 N 0.25 3.93 0.27 0.44 -1.94 0.50 -4.97 119.30 117.78 3k4m s MET 541 Ca 0.45 0.93 -0.30 0.00 -1.71 0.00 0.00 55.69 55.06 3k4m s MET 541 Cb -0.22 -2.15 -0.13 0.00 2.01 0.00 0.00 34.83 34.34 3k4m s MET 541 CO 0.26 -0.27 1.25 0.39 -0.01 0.00 0.00 175.02 176.64 3k4m n GLU 542 N -1.60 1.80 -1.71 2.03 -0.58 -1.26 -4.72 120.64 114.61 3k4m n GLU 542 Ca 0.06 0.64 -0.42 0.00 -0.42 0.00 0.00 57.16 57.02 3k4m n GLU 542 Cb 0.54 -2.18 -0.03 0.00 -0.57 0.00 0.00 31.44 29.20 3k4m n GLU 542 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3k4m s PRO 543 N -1.12 4.14 0.00 3.49 0.02 -1.26 -1.42 135.00 138.84 3k4m s PRO 543 Ca 0.63 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.25 3k4m s PRO 543 Cb -0.66 -3.65 0.00 0.00 0.02 0.00 0.00 34.50 30.21 3k4m s PRO 543 CO 0.56 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 3k4m n GLY 544 N 4.27 0.59 0.33 0.52 0.00 -1.26 -0.99 105.19 108.65 3k4m n GLY 544 Ca 0.18 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.41 3k4m n GLY 544 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k4m h LEU 545 N 0.00 0.00 -0.91 0.99 5.85 -1.23 -1.51 115.31 118.49 3k4m h LEU 545 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3k4m h LEU 545 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3k4m h LEU 545 CO 0.00 0.00 0.00 1.62 -0.34 0.00 0.00 178.44 179.72 3k4m h VAL 546 N 0.00 0.00 -6.19 1.05 3.04 -1.85 -3.46 116.25 108.84 3k4m h VAL 546 Ca 0.00 -0.53 -0.45 0.00 -1.01 0.00 0.00 66.70 64.71 3k4m h VAL 546 Cb 0.04 1.47 0.01 0.00 -2.01 0.00 0.00 31.29 30.79 3k4m h VAL 546 CO -0.00 0.00 -0.77 0.18 -1.01 0.00 0.00 177.57 175.97 3k4m n LEU 547 N -2.82 -2.81 -1.43 3.16 4.77 -0.57 -4.89 117.00 112.40 3k4m n LEU 547 Ca 0.02 -0.76 -0.11 0.00 -0.03 0.00 0.00 56.01 55.13 3k4m n LEU 547 Cb 0.34 -2.65 0.13 0.00 -2.33 0.00 0.00 43.42 38.91 3k4m n LEU 547 CO 0.27 0.48 0.54 1.41 -1.33 0.00 0.00 177.39 178.75 3k4m n HIS 548 N -4.62 1.59 -1.70 -1.77 8.25 -1.26 -5.02 115.22 110.69 3k4m n HIS 548 Ca -0.05 -1.92 -0.43 0.00 -0.26 0.00 0.00 57.72 55.07 3k4m n HIS 548 Cb 0.57 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.98 3.95 -4.48 2.41 7.94 -1.26 -4.56 117.00 120.03 3k4m n LEU 549 Ca 0.37 1.02 -0.23 0.00 -1.11 0.00 0.00 56.01 56.06 3k4m n LEU 549 Cb 0.91 -1.55 -0.09 0.00 0.53 0.00 0.00 43.42 43.22 3k4m n LEU 549 CO 0.27 0.15 -0.23 -0.83 -1.11 0.00 0.00 177.39 175.63 3k4m s GLY 550 N 1.97 2.32 0.00 -3.96 0.00 0.20 -4.32 107.32 103.53 3k4m s GLY 550 Ca 0.79 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.90 3k4m s GLY 550 CO 0.35 -1.81 0.00 0.61 0.00 0.00 0.00 173.10 172.25 3k4m n GLY 551 N -0.79 1.07 0.22 0.20 0.00 -0.33 -0.83 105.19 104.74 3k4m n GLY 551 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 0.73 -1.72 2.61 1.35 -1.75 -3.30 112.91 110.83 3k4m h THR 552 Ca 0.00 -1.05 -0.47 0.00 -0.55 0.00 0.00 66.41 64.34 3k4m h THR 552 Cb 0.00 1.66 -0.36 0.00 -1.73 0.00 0.00 68.15 67.72 3k4m h THR 552 CO 0.00 0.24 -1.07 0.00 -0.25 0.00 0.00 175.52 174.44 3k4m n HIS 553 N -3.59 -0.43 -2.50 4.73 1.44 -0.61 -0.84 115.22 113.42 3k4m n HIS 553 Ca -0.01 -3.49 -0.36 0.00 -2.01 0.00 0.00 57.72 51.85 3k4m n HIS 553 Cb 0.39 -0.11 -0.03 0.00 0.12 0.00 0.00 29.99 30.35 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 -1.68 4.04 0.41 -1.40 1.70 -1.15 -3.95 118.95 116.92 3k4m s ARG 554 Ca 0.37 1.52 -0.20 0.00 -0.47 0.00 0.00 55.73 56.95 3k4m s ARG 554 Cb 0.29 -2.44 -0.11 0.00 -0.57 0.00 0.00 34.95 32.12 3k4m s ARG 554 CO -0.09 -0.26 0.91 1.41 -1.08 0.00 0.00 175.30 176.19 3k4m s MET 555 N -2.66 4.20 0.03 3.89 -2.45 0.14 -0.45 119.30 122.01 3k4m s MET 555 Ca 0.60 1.05 -0.27 0.00 -1.25 0.00 0.00 55.69 55.82 3k4m s MET 555 Cb -0.22 -2.24 0.10 0.00 1.25 0.00 0.00 34.83 33.71 3k4m s MET 555 CO 0.27 0.01 1.22 0.20 1.05 0.00 0.00 175.02 177.77 3k4m s GLY 556 N -2.18 -0.16 -0.04 2.11 0.00 -0.25 -4.59 107.32 102.21 3k4m s GLY 556 Ca 0.60 0.15 -0.23 0.00 0.00 0.00 0.00 44.72 45.24 3k4m s GLY 556 CO 0.14 3.12 1.02 0.74 0.00 0.00 0.00 173.10 178.12 3k4m h PHE 557 N 2.00 0.40 -3.24 1.90 0.04 -1.93 -3.32 116.94 112.78 3k4m h PHE 557 Ca -0.26 -0.23 -0.61 0.00 2.80 0.00 0.00 57.97 59.68 3k4m h PHE 557 Cb 1.20 -0.04 -0.34 0.00 2.20 0.00 0.00 35.95 38.96 3k4m h PHE 557 CO 1.04 1.06 -0.84 0.34 -0.60 0.00 0.00 178.31 179.31 3k4m s ASP 558 N -6.54 2.62 0.25 2.17 2.15 -1.26 -4.92 116.67 111.14 3k4m s ASP 558 Ca -0.15 -0.47 -0.04 0.00 0.43 0.00 0.00 52.55 52.32 3k4m s ASP 558 Cb 0.01 -1.18 0.41 0.00 -0.30 0.00 0.00 42.92 41.86 3k4m s ASP 558 CO 0.78 0.03 1.80 -0.08 -0.17 0.00 0.00 175.17 177.53 3k4m h GLU 559 N 7.43 0.74 0.00 4.34 4.81 -1.87 -0.59 114.58 129.44 3k4m h GLU 559 Ca -0.32 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.79 3k4m h GLU 559 Cb 1.18 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 3k4m h GLU 559 CO 0.51 0.49 -0.42 -0.22 -0.73 0.00 0.00 179.01 178.63 3k4m h LYS 560 N 0.76 0.00 -0.34 1.92 3.64 -1.96 -1.44 116.57 119.15 3k4m h LYS 560 Ca 0.40 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.69 3k4m h LYS 560 Cb 0.40 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3k4m h LYS 560 CO -0.26 0.97 -0.19 0.93 -2.27 0.00 0.00 179.45 178.63 3k4m h GLU 561 N -1.00 0.63 -0.59 1.90 5.08 -1.98 -2.86 114.58 115.76 3k4m h GLU 561 Ca -0.12 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3k4m h GLU 561 Cb 1.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3k4m h GLU 561 CO -0.07 0.78 0.00 -0.25 -1.00 0.00 0.00 179.01 178.47 3k4m n ASP 562 N -4.14 5.69 -3.44 1.42 8.00 -0.23 -4.98 116.55 118.87 3k4m n ASP 562 Ca 0.00 -2.91 -0.21 0.00 0.71 0.00 0.00 54.79 52.39 3k4m n ASP 562 Cb 0.39 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 3k4m n ASP 562 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k4m n ASN 563 N 0.65 -3.74 -3.88 -2.24 4.13 -1.08 -4.86 115.26 104.24 3k4m n ASN 563 Ca 0.28 -0.69 -0.11 0.00 1.68 0.00 0.00 54.58 55.74 3k4m n ASN 563 Cb 1.19 -1.22 -0.06 0.00 -1.54 0.00 0.00 39.78 38.14 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 -2.03 1.40 0.13 0.00 -7.23 -1.07 -2.86 120.40 108.74 3k4m s VAL 566 Ca -0.01 -1.91 -0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3k4m s VAL 566 Cb 0.00 -1.73 0.03 0.00 0.56 0.00 0.00 36.38 35.24 3k4m s VAL 566 CO 0.05 -0.53 0.18 -0.46 -0.31 0.00 0.00 175.10 174.03 3k4m n ASN 567 N 0.16 0.20 0.00 4.85 0.23 -0.24 -1.09 115.26 119.37 3k4m n ASN 567 Ca -0.13 -1.18 0.11 0.00 -0.53 0.00 0.00 54.58 52.85 3k4m n ASN 567 Cb 0.59 -0.12 0.53 0.00 -2.08 0.00 0.00 39.78 38.69 3k4m n ASN 567 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3k4m n THR 568 N -1.73 0.37 1.12 5.53 -2.24 -1.25 0.37 114.28 116.46 3k4m n THR 568 Ca 0.03 0.09 0.10 0.00 -2.27 0.00 0.00 64.05 62.00 3k4m n THR 568 Cb 0.10 -0.72 0.35 0.00 -2.10 0.00 0.00 70.33 67.95 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 -1.35 1.85 -0.90 3.42 8.00 -1.26 -4.68 116.55 121.62 3k4m n ASP 569 Ca 0.09 -1.75 -0.12 0.00 0.71 0.00 0.00 54.79 53.72 3k4m n ASP 569 Cb 0.20 -0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 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 0.45 -4.75 -4.76 -2.24 7.64 0.16 -4.32 113.62 105.78 3k4m n SER 570 Ca 0.16 0.29 -0.39 0.00 1.01 0.00 0.00 58.87 59.94 3k4m n SER 570 Cb 0.35 -3.28 -0.06 0.00 -1.01 0.00 0.00 64.21 60.21 3k4m n SER 570 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3k4m s ARG 571 N -2.88 4.33 0.06 1.43 3.52 -1.26 -1.27 118.95 122.89 3k4m s ARG 571 Ca 0.00 0.77 -0.31 0.00 -0.13 0.00 0.00 55.73 56.07 3k4m s ARG 571 Cb 0.00 -3.34 -0.08 0.00 -1.56 0.00 0.00 34.95 29.98 3k4m s ARG 571 CO 0.00 0.38 1.54 0.08 -0.81 0.00 0.00 175.30 176.49 3k4m s VAL 572 N -0.25 3.23 0.14 7.11 1.01 -0.69 -1.08 120.40 129.88 3k4m s VAL 572 Ca 0.32 0.71 -0.34 0.00 0.00 0.00 0.00 61.98 62.67 3k4m s VAL 572 Cb -0.19 -3.46 -0.16 0.00 0.00 0.00 0.00 36.38 32.58 3k4m s VAL 572 CO 0.18 0.01 1.32 0.49 0.00 0.00 0.00 175.10 177.09 3k4m n PHE 573 N 5.23 1.60 0.00 5.22 3.72 -1.14 -1.14 117.46 130.95 3k4m n PHE 573 Ca 0.14 0.58 0.00 0.00 -0.05 0.00 0.00 57.45 58.13 3k4m n PHE 573 Cb 0.41 -2.35 0.00 0.00 -0.94 0.00 0.00 39.48 36.60 3k4m n PHE 573 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k4m n GLY 574 N 2.42 2.49 3.33 1.37 0.00 -1.26 -5.00 105.19 108.55 3k4m n GLY 574 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3k4m n GLY 574 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4m s PHE 575 N -2.46 3.00 0.38 1.61 0.40 -0.29 -3.96 117.98 116.65 3k4m s PHE 575 Ca 0.00 -0.87 0.08 0.00 -0.60 0.00 0.00 56.93 55.55 3k4m s PHE 575 Cb 0.00 -2.14 0.82 0.00 0.51 0.00 0.00 43.02 42.22 3k4m s PHE 575 CO 0.00 -0.52 1.95 0.87 0.70 0.00 0.00 175.22 178.22 3k4m h LYS 576 N 8.14 0.64 0.00 0.44 1.79 -1.49 -3.34 116.57 122.75 3k4m h LYS 576 Ca -0.40 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.01 3k4m h LYS 576 Cb 1.16 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 31.62 3k4m h LYS 576 CO 0.60 0.42 -0.42 0.27 -1.08 0.00 0.00 179.45 179.24 3k4m n ASN 577 N -4.49 0.92 -4.32 0.86 6.94 -1.26 -4.99 115.26 108.92 3k4m n ASN 577 Ca 0.11 -2.45 -0.34 0.00 -0.02 0.00 0.00 54.58 51.89 3k4m n ASN 577 Cb 0.29 -0.30 -0.14 0.00 -2.36 0.00 0.00 39.78 37.27 3k4m n ASN 577 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3k4m s LEU 578 N -1.06 2.73 0.11 -4.53 2.96 -1.25 -1.26 118.68 116.37 3k4m s LEU 578 Ca 0.16 -0.39 0.09 0.00 -0.22 0.00 0.00 54.13 53.77 3k4m s LEU 578 Cb 0.15 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 3k4m s LEU 578 CO -0.02 0.07 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.49 3k4m s PHE 579 N 0.93 1.97 -0.09 5.38 0.40 0.53 -1.70 117.98 125.40 3k4m s PHE 579 Ca -0.02 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 3k4m s PHE 579 Cb -0.15 -1.08 -0.01 0.00 0.51 0.00 0.00 43.02 42.29 3k4m s PHE 579 CO -0.00 0.25 -0.20 -0.51 0.70 0.00 0.00 175.22 175.45 3k4m s LEU 580 N -1.93 2.35 0.17 -0.37 1.43 -0.39 -0.52 118.68 119.42 3k4m s LEU 580 Ca 0.09 -0.43 0.10 0.00 -1.03 0.00 0.00 54.13 52.86 3k4m s LEU 580 Cb -0.10 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 3k4m s LEU 580 CO 0.05 0.21 -0.22 -0.83 0.23 0.00 0.00 176.35 175.79 3k4m s GLY 581 N 0.05 1.55 0.00 -3.19 0.00 0.71 -4.80 107.32 101.64 3k4m s GLY 581 Ca -0.08 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.10 3k4m s GLY 581 CO 0.05 -1.56 0.00 0.61 0.00 0.00 0.00 173.10 172.20 3k4m n GLY 582 N 0.42 0.92 0.27 0.20 0.00 -1.26 -4.37 105.19 101.38 3k4m n GLY 582 Ca -0.14 -2.09 0.16 0.00 0.00 0.00 0.00 46.02 43.96 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 1.86 0.00 2.00 0.00 0.00 -1.88 -1.43 103.07 103.62 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 0.01 0.00 0.00 3.43 0.00 0.00 0.00 176.54 179.98 3k4m h ASN 585 N 0.00 0.00 -3.24 0.19 2.35 -1.54 -1.55 115.58 111.79 3k4m h ASN 585 Ca 0.37 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.55 3k4m h ASN 585 Cb 1.51 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.82 3k4m h ASN 585 CO -0.00 0.00 0.53 -0.63 -1.65 0.00 0.00 177.43 175.67 3k4m s ILE 586 N -3.78 4.81 -2.50 2.81 1.01 -0.54 0.23 121.20 123.24 3k4m s ILE 586 Ca -0.00 1.80 0.23 0.00 0.00 0.00 0.00 60.65 62.68 3k4m s ILE 586 Cb 0.10 -4.21 0.09 0.00 0.01 0.00 0.00 42.46 38.45 3k4m s ILE 586 CO 0.51 -0.03 1.17 -0.81 0.00 0.00 0.00 174.94 175.77 3k4m n PRO 587 N 5.50 1.78 -3.09 2.79 -0.04 -1.26 -1.19 135.00 139.49 3k4m n PRO 587 Ca 0.07 -1.47 -0.20 0.00 -0.04 0.00 0.00 63.50 61.87 3k4m n PRO 587 Cb 0.48 -1.46 0.01 0.00 -0.04 0.00 0.00 33.50 32.49 3k4m n PRO 587 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3k4m s THR 588 N -2.21 3.52 -0.49 0.52 -4.23 -1.26 -4.74 115.64 106.75 3k4m s THR 588 Ca 0.23 -0.82 -0.26 0.00 -1.18 0.00 0.00 61.69 59.66 3k4m s THR 588 Cb 0.19 -3.24 0.03 0.00 1.34 0.00 0.00 72.50 70.82 3k4m s THR 588 CO 0.43 -0.13 0.97 0.00 -0.54 0.00 0.00 174.62 175.35 3k4m s ALA 589 N -2.42 3.19 0.06 3.99 0.00 -1.26 -4.86 121.76 120.47 3k4m s ALA 589 Ca 0.51 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.66 3k4m s ALA 589 Cb -0.10 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.27 3k4m s ALA 589 CO 0.34 -2.21 -0.19 1.52 0.00 0.00 0.00 175.76 175.23 3k4m s TYR 590 N 3.96 1.68 -0.14 0.00 1.13 -1.26 -4.56 117.35 118.16 3k4m s TYR 590 Ca 0.37 -0.39 0.19 0.00 -1.41 0.00 0.00 57.07 55.83 3k4m s TYR 590 Cb -0.10 -0.97 -0.28 0.00 -1.10 0.00 0.00 41.96 39.51 3k4m s TYR 590 CO 0.25 0.12 0.23 0.41 -2.51 0.00 0.00 175.55 174.05 3k4m n GLY 591 N 1.59 -1.00 3.80 5.49 0.00 -1.26 -4.14 105.19 109.66 3k4m n GLY 591 Ca -0.18 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.85 2.01 0.07 4.61 0.00 -1.26 -4.24 121.76 120.10 3k4m s ALA 592 Ca -0.09 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 3k4m s ALA 592 Cb 0.09 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 20.11 3k4m s ALA 592 CO 0.86 -2.03 1.00 -0.80 0.00 0.00 0.00 175.76 174.78 3k4m s ASN 593 N -4.02 7.39 0.00 0.00 -0.87 -1.26 -4.94 114.94 111.23 3k4m s ASN 593 Ca 0.62 1.78 0.27 0.00 -1.57 0.00 0.00 52.86 53.97 3k4m s ASN 593 Cb -0.14 -2.58 0.95 0.00 -0.02 0.00 0.00 41.25 39.45 3k4m s ASN 593 CO 0.53 -0.19 1.69 -0.81 -2.57 0.00 0.00 177.10 175.75 3k4m n PRO 594 N 3.31 0.64 0.03 -0.60 -0.04 -1.26 -4.38 135.00 132.69 3k4m n PRO 594 Ca 0.04 -0.30 -0.13 0.00 -0.04 0.00 0.00 63.50 63.07 3k4m n PRO 594 Cb 0.49 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.74 1.34 -0.91 0.52 2.02 -1.92 -0.93 112.91 113.77 3k4m h THR 595 Ca 0.00 -2.13 0.01 0.00 0.77 0.00 0.00 66.41 65.06 3k4m h THR 595 Cb 0.44 2.12 -0.05 0.00 -1.74 0.00 0.00 68.15 68.93 3k4m h THR 595 CO 0.00 0.65 0.60 0.25 0.37 0.00 0.00 175.52 177.39 3k4m h LEU 596 N 0.37 1.05 0.15 2.58 5.85 -1.85 0.18 115.31 123.64 3k4m h LEU 596 Ca -0.05 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3k4m h LEU 596 Cb 1.39 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3k4m h LEU 596 CO 0.15 0.77 -0.07 0.74 -0.34 0.00 0.00 178.44 179.68 3k4m h THR 597 N 1.24 0.96 -0.83 1.05 2.02 -1.69 -1.05 112.91 114.61 3k4m h THR 597 Ca 0.33 -0.52 0.17 0.00 0.77 0.00 0.00 66.41 67.16 3k4m h THR 597 Cb -0.14 1.27 -0.10 0.00 -1.74 0.00 0.00 68.15 67.44 3k4m h THR 597 CO -0.07 0.12 0.37 0.00 0.37 0.00 0.00 175.52 176.31 3k4m h ALA 598 N 0.34 1.25 -0.74 6.16 0.00 -0.89 -1.39 119.26 123.99 3k4m h ALA 598 Ca -0.02 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3k4m h ALA 598 Cb 0.36 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3k4m h ALA 598 CO 0.03 -0.21 0.34 1.98 0.00 0.00 0.00 179.25 181.39 3k4m h MET 599 N 0.49 1.08 -0.59 0.00 -1.53 -0.16 -1.58 114.93 112.64 3k4m h MET 599 Ca 0.48 -0.16 -0.06 0.00 -3.44 0.00 0.00 59.70 56.52 3k4m h MET 599 Cb 0.77 -0.19 -0.03 0.00 -0.55 0.00 0.00 31.60 31.60 3k4m h MET 599 CO -0.43 0.85 0.14 0.77 0.14 0.00 0.00 176.91 178.38 3k4m h SER 600 N 1.06 0.85 -0.39 1.39 0.02 -0.18 -0.81 113.55 115.50 3k4m h SER 600 Ca 0.25 -0.16 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 3k4m h SER 600 Cb 0.14 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3k4m h SER 600 CO -0.03 0.83 -0.27 -0.07 -1.14 0.00 0.00 176.83 176.15 3k4m h LEU 601 N 0.88 0.95 -1.00 5.07 3.38 -0.66 -2.52 115.31 121.40 3k4m h LEU 601 Ca 0.19 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3k4m h LEU 601 Cb 0.31 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3k4m h LEU 601 CO -0.00 1.16 0.45 0.00 0.09 0.00 0.00 178.44 180.13 3k4m h ALA 602 N 0.90 1.24 0.10 1.53 0.00 -0.69 -0.96 119.26 121.37 3k4m h ALA 602 Ca 0.09 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3k4m h ALA 602 Cb 0.84 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3k4m h ALA 602 CO 0.07 0.62 -0.38 0.82 0.00 0.00 0.00 179.25 180.38 3k4m h ILE 603 N 1.15 0.21 -0.74 0.00 2.04 -1.03 -0.51 117.51 118.63 3k4m h ILE 603 Ca 0.29 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.29 3k4m h ILE 603 Cb 0.03 0.21 -0.09 0.00 -0.74 0.00 0.00 36.82 36.23 3k4m h ILE 603 CO -0.05 0.00 0.29 0.50 0.00 0.00 0.00 178.15 178.89 3k4m h LYS 604 N -0.60 0.43 -0.49 2.37 3.64 -1.13 -2.01 116.57 118.77 3k4m h LYS 604 Ca 0.03 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3k4m h LYS 604 Cb 0.64 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 3k4m h LYS 604 CO -0.24 0.28 0.13 1.03 -2.27 0.00 0.00 179.45 178.38 3k4m h SER 605 N 0.44 0.68 0.83 4.20 0.87 -0.77 -1.53 113.55 118.26 3k4m h SER 605 Ca 0.40 -0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.79 3k4m h SER 605 Cb 0.60 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3k4m h SER 605 CO -0.39 0.66 -0.31 0.00 -0.53 0.00 0.00 176.83 176.26 3k4m h GLU 607 N 0.00 1.15 -0.23 0.00 5.08 -0.81 -1.88 114.58 117.89 3k4m h GLU 607 Ca -0.00 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.10 3k4m h GLU 607 Cb 0.81 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3k4m h GLU 607 CO 0.04 0.81 -0.48 -0.92 -1.00 0.00 0.00 179.01 177.46 3k4m h TYR 608 N 1.17 0.75 -0.46 4.33 5.03 -1.32 -3.01 116.97 123.46 3k4m h TYR 608 Ca 0.30 -0.24 -0.13 0.00 2.58 0.00 0.00 58.73 61.24 3k4m h TYR 608 Cb -0.05 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.07 3k4m h TYR 608 CO -0.00 0.97 -0.22 0.82 -1.32 0.00 0.00 178.16 178.41 3k4m h ILE 609 N 0.48 1.27 0.00 1.81 2.04 -1.21 -2.83 117.51 119.08 3k4m h ILE 609 Ca 0.02 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 3k4m h ILE 609 Cb 1.02 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 3k4m h ILE 609 CO 0.09 0.47 -0.03 0.11 0.00 0.00 0.00 178.15 178.80 3k4m h LYS 610 N 0.80 0.00 0.00 2.37 1.57 -1.22 -2.26 116.57 117.83 3k4m h LYS 610 Ca 0.10 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3k4m h LYS 610 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 3k4m h LYS 610 CO 0.07 0.03 -1.25 1.04 -0.57 0.00 0.00 179.45 178.77 3k4m n GLN 611 N -3.18 0.62 -0.00 3.15 6.02 -1.11 -4.55 117.38 118.32 3k4m n GLN 611 Ca -0.01 0.13 0.03 0.00 -0.01 0.00 0.00 57.00 57.14 3k4m n GLN 611 Cb 0.24 -1.79 0.02 0.00 1.02 0.00 0.00 30.24 29.73 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 -2.73 1.48 -3.83 1.08 3.02 -0.90 -4.97 115.26 108.42 3k4m n ASN 612 Ca -0.04 -1.25 -0.12 0.00 -0.03 0.00 0.00 54.58 53.13 3k4m n ASN 612 Cb 0.67 -0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.73 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 -0.46 -0.08 -0.17 3.10 0.08 -0.92 -5.05 117.98 114.47 3k4m s PHE 613 Ca 0.06 0.15 -0.01 0.00 0.12 0.00 0.00 56.93 57.26 3k4m s PHE 613 Cb 0.04 0.02 -0.00 0.00 -0.57 0.00 0.00 43.02 42.51 3k4m s PHE 613 CO 0.07 -0.25 -0.12 0.99 -0.10 0.00 0.00 175.22 175.80 3k4m s THR 614 N -0.91 2.87 0.45 0.64 2.01 -1.26 -4.74 115.64 114.70 3k4m s THR 614 Ca -0.10 -0.69 -0.23 0.00 0.31 0.00 0.00 61.69 60.98 3k4m s THR 614 Cb -0.05 -2.23 -0.10 0.00 0.01 0.00 0.00 72.50 70.12 3k4m s THR 614 CO 0.02 0.50 0.92 -0.81 -0.69 0.00 0.00 174.62 174.55 3k4m n PRO 615 N 4.19 1.14 -1.47 4.92 -0.04 -1.26 -4.95 135.00 137.53 3k4m n PRO 615 Ca -0.19 0.41 -0.30 0.00 -0.04 0.00 0.00 63.50 63.38 3k4m n PRO 615 Cb 0.52 -1.97 0.09 0.00 -0.04 0.00 0.00 33.50 32.09 3k4m n PRO 615 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3k4m s SER 616 N -0.86 4.52 -0.05 3.54 1.04 -1.26 -5.00 113.70 115.62 3k4m s SER 616 Ca 0.65 1.45 -0.30 0.00 0.48 0.00 0.00 55.95 58.24 3k4m s SER 616 Cb -0.54 -2.20 -0.05 0.00 0.10 0.00 0.00 66.02 63.33 3k4m s SER 616 CO 0.55 -1.97 1.52 -2.84 0.98 0.00 0.00 173.24 171.48 3k4m s PRO 617 N -5.07 4.22 0.00 4.02 0.02 -1.26 -4.91 135.00 132.01 3k4m s PRO 617 Ca 0.61 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3k4m s PRO 617 Cb -0.15 -3.81 0.00 0.00 0.02 0.00 0.00 34.50 30.56 3k4m s PRO 617 CO 0.55 -0.74 0.00 0.34 -0.33 0.00 0.00 177.00 176.82