#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8m s TRP 44 N 0.00 1.68 0.39 1.08 0.52 -1.26 -4.72 118.94 116.63 3k8m s TRP 44 Ca 0.00 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 55.76 3k8m s TRP 44 Cb 0.00 -0.96 -0.04 0.00 -1.15 0.00 0.00 33.47 31.32 3k8m s TRP 44 CO 0.00 0.14 0.09 -0.08 0.02 0.00 0.00 176.95 177.11 3k8m s THR 45 N -1.02 0.90 -0.13 2.01 -1.32 -0.58 -4.95 115.64 110.55 3k8m s THR 45 Ca 0.05 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.49 3k8m s THR 45 Cb -0.09 -2.50 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 3k8m s THR 45 CO 0.03 0.00 0.01 0.00 -2.21 0.00 0.00 174.62 172.45 3k8m s ALA 46 N -3.19 3.27 0.44 11.08 0.00 -1.26 -0.40 121.76 131.70 3k8m s ALA 46 Ca 0.26 -0.78 -0.24 0.00 0.00 0.00 0.00 51.96 51.20 3k8m s ALA 46 Cb 0.05 -1.64 -0.08 0.00 0.00 0.00 0.00 23.12 21.45 3k8m s ALA 46 CO 0.14 0.38 1.18 -0.51 0.00 0.00 0.00 175.76 176.95 3k8m s LEU 47 N -0.23 4.07 -0.17 0.00 1.43 -1.08 -4.86 118.68 117.84 3k8m s LEU 47 Ca 0.06 2.36 -0.00 0.00 -1.03 0.00 0.00 54.13 55.51 3k8m s LEU 47 Cb -0.12 -4.16 0.04 0.00 0.03 0.00 0.00 46.19 41.98 3k8m s LEU 47 CO 0.02 -0.87 -0.07 -0.89 0.23 0.00 0.00 176.35 174.77 3k8m s THR 48 N -1.48 1.24 0.29 5.49 2.01 -1.26 -5.02 115.64 116.91 3k8m s THR 48 Ca 0.62 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.61 3k8m s THR 48 Cb -0.30 -1.39 -0.11 0.00 0.01 0.00 0.00 72.50 70.71 3k8m s THR 48 CO 0.37 0.15 1.52 0.00 -0.69 0.00 0.00 174.62 175.97 3k8m s ALA 49 N 1.58 3.68 -0.14 7.40 0.00 -1.26 -4.53 121.76 128.49 3k8m s ALA 49 Ca 0.00 1.49 0.23 0.00 0.00 0.00 0.00 51.96 53.68 3k8m s ALA 49 Cb -0.15 -3.61 0.46 0.00 0.00 0.00 0.00 23.12 19.82 3k8m s ALA 49 CO -0.08 -0.91 1.15 0.43 0.00 0.00 0.00 175.76 176.36 3k8m n SER 50 N 1.93 1.52 -4.40 0.00 7.64 0.11 -4.98 113.62 115.44 3k8m n SER 50 Ca 0.06 -2.24 -0.34 0.00 1.01 0.00 0.00 58.87 57.35 3k8m n SER 50 Cb 0.39 -0.39 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 3k8m n SER 50 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3k8m n PRO 51 N -0.14 -0.04 -1.64 1.43 -0.04 -1.25 -4.93 135.00 128.40 3k8m n PRO 51 Ca 0.10 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.30 3k8m n PRO 51 Cb 0.96 -1.78 0.14 0.00 -0.04 0.00 0.00 33.50 32.78 3k8m n PRO 51 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k8m s ASP 52 N -1.73 3.50 0.40 3.54 1.11 -1.26 -5.00 116.67 117.23 3k8m s ASP 52 Ca 0.59 0.81 -0.26 0.00 0.18 0.00 0.00 52.55 53.87 3k8m s ASP 52 Cb -0.26 -1.28 -0.09 0.00 1.07 0.00 0.00 42.92 42.36 3k8m s ASP 52 CO 0.65 -2.54 1.28 -0.89 1.18 0.00 0.00 175.17 174.85 3k8m s THR 53 N -3.40 2.72 -0.29 -1.27 2.01 -1.26 -4.98 115.64 109.17 3k8m s THR 53 Ca 0.65 0.65 -0.18 0.00 0.31 0.00 0.00 61.69 63.12 3k8m s THR 53 Cb -0.12 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 3k8m s THR 53 CO 0.52 0.10 0.52 0.86 -0.69 0.00 0.00 174.62 175.93 3k8m s TRP 54 N -1.27 3.24 -2.00 4.92 -0.00 -1.26 -4.90 118.94 117.67 3k8m s TRP 54 Ca 0.56 0.52 0.21 0.00 -0.00 0.00 0.00 56.10 57.39 3k8m s TRP 54 Cb -0.37 -2.79 1.23 0.00 -0.00 0.00 0.00 33.47 31.54 3k8m s TRP 54 CO 0.48 -0.36 1.64 -0.40 -0.00 0.00 0.00 176.95 178.30 3k8m n ASP 55 N 5.62 0.00 0.00 5.86 5.75 -1.26 -4.88 116.55 127.63 3k8m n ASP 55 Ca -0.04 -0.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.97 3k8m n ASP 55 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 3k8m n ASP 55 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3k8m n GLU 56 N -0.96 0.00 -1.85 0.11 1.02 -1.26 -5.01 120.64 112.70 3k8m n GLU 56 Ca 0.16 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.88 3k8m n GLU 56 Cb 0.07 -1.10 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 3k8m n GLU 56 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3k8m s THR 57 N -1.04 2.24 -0.98 2.62 -4.23 -1.26 -4.88 115.64 108.11 3k8m s THR 57 Ca 0.00 0.20 -0.21 0.00 -1.18 0.00 0.00 61.69 60.50 3k8m s THR 57 Cb 0.00 -3.13 0.08 0.00 1.34 0.00 0.00 72.50 70.79 3k8m s THR 57 CO 0.00 0.03 1.32 -0.54 -0.54 0.00 0.00 174.62 174.89 3k8m s LYS 58 N -0.46 3.59 0.34 3.99 1.02 -1.26 -4.76 119.74 122.19 3k8m s LYS 58 Ca 0.62 -1.36 0.15 0.00 0.02 0.00 0.00 55.97 55.41 3k8m s LYS 58 Cb -0.46 -5.17 0.56 0.00 -0.52 0.00 0.00 37.83 32.24 3k8m s LYS 58 CO 0.46 -2.04 1.69 0.00 -0.92 0.00 0.00 175.35 174.55 3k8m h ARG 59 N 9.43 0.00 -7.79 1.68 3.08 -1.86 -3.45 114.38 115.48 3k8m h ARG 59 Ca 0.18 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.78 3k8m h ARG 59 Cb 1.02 0.00 0.16 0.00 0.08 0.00 0.00 29.97 31.23 3k8m h ARG 59 CO 1.30 0.47 0.41 0.00 -1.07 0.00 0.00 179.97 181.08 3k8m s ALA 60 N -3.64 2.20 -0.50 0.04 0.00 -1.26 -4.78 121.76 113.82 3k8m s ALA 60 Ca -0.01 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 50.89 3k8m s ALA 60 Cb 0.12 -2.80 0.25 0.00 0.00 0.00 0.00 23.12 20.69 3k8m s ALA 60 CO 0.72 -2.42 0.62 -3.47 0.00 0.00 0.00 175.76 171.21 3k8m n ASP 61 N -3.77 1.73 -4.67 0.00 2.03 -1.26 -4.83 116.55 105.78 3k8m n ASP 61 Ca 0.14 -3.02 -0.39 0.00 0.52 0.00 0.00 54.79 52.05 3k8m n ASP 61 Cb 0.60 -0.65 -0.07 0.00 -0.72 0.00 0.00 41.12 40.27 3k8m n ASP 61 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3k8m s ILE 62 N -1.77 5.14 0.01 5.18 1.01 -1.26 -3.64 121.20 125.87 3k8m s ILE 62 Ca 0.37 0.87 0.03 0.00 0.00 0.00 0.00 60.65 61.92 3k8m s ILE 62 Cb 0.16 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3k8m s ILE 62 CO -0.07 0.21 -0.05 -0.44 0.00 0.00 0.00 174.94 174.59 3k8m s SER 63 N 1.10 4.77 -0.16 3.58 0.01 -0.46 0.03 113.70 122.57 3k8m s SER 63 Ca 0.22 -0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.37 3k8m s SER 63 Cb -0.15 -1.14 0.01 0.00 0.21 0.00 0.00 66.02 64.94 3k8m s SER 63 CO 0.09 0.27 -0.18 -0.47 0.41 0.00 0.00 173.24 173.36 3k8m s TYR 64 N -1.05 2.75 -0.11 2.43 5.04 -0.01 -0.23 117.35 126.17 3k8m s TYR 64 Ca 0.18 -1.31 -0.12 0.00 -2.44 0.00 0.00 57.07 53.38 3k8m s TYR 64 Cb -0.11 -1.89 -0.05 0.00 0.35 0.00 0.00 41.96 40.26 3k8m s TYR 64 CO 0.09 -0.62 0.27 -1.14 -1.34 0.00 0.00 175.55 172.81 3k8m s GLN 65 N 0.99 3.95 -0.07 4.97 0.74 0.60 -0.33 119.66 130.50 3k8m s GLN 65 Ca -0.02 0.10 -0.10 0.00 0.05 0.00 0.00 55.36 55.39 3k8m s GLN 65 Cb -0.15 -3.31 0.02 0.00 1.10 0.00 0.00 33.01 30.68 3k8m s GLN 65 CO -0.05 0.50 0.26 -0.48 -0.55 0.00 0.00 175.29 174.98 3k8m s LEU 66 N -0.34 1.01 -0.44 3.68 0.05 -0.90 -0.62 118.68 121.12 3k8m s LEU 66 Ca 0.18 0.36 -0.18 0.00 0.05 0.00 0.00 54.13 54.53 3k8m s LEU 66 Cb -0.14 0.98 0.03 0.00 -2.05 0.00 0.00 46.19 45.01 3k8m s LEU 66 CO 0.06 -0.20 0.50 -0.76 -0.55 0.00 0.00 176.35 175.40 3k8m s LEU 67 N -0.35 4.87 0.35 1.48 2.01 -1.26 -2.99 118.68 122.78 3k8m s LEU 67 Ca -0.05 -0.70 0.13 0.00 0.01 0.00 0.00 54.13 53.53 3k8m s LEU 67 Cb -0.03 -2.44 1.11 0.00 0.01 0.00 0.00 46.19 44.84 3k8m s LEU 67 CO 0.01 -0.67 1.57 0.18 1.01 0.00 0.00 176.35 178.45 3k8m n LEU 68 N 5.78 0.16 0.00 1.79 4.77 -1.26 -0.39 117.00 127.85 3k8m n LEU 68 Ca -0.06 1.67 0.08 0.00 -0.03 0.00 0.00 56.01 57.66 3k8m n LEU 68 Cb 0.47 -0.73 0.36 0.00 -2.33 0.00 0.00 43.42 41.18 3k8m n LEU 68 CO 0.49 -1.80 0.75 0.00 -1.33 0.00 0.00 177.39 175.50 3k8m n TYR 69 N -5.35 0.00 -0.37 -1.77 0.18 -1.26 -3.35 117.16 105.23 3k8m n TYR 69 Ca 0.32 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.10 3k8m n TYR 69 Cb 1.08 -0.45 0.00 0.00 -0.38 0.00 0.00 39.34 39.59 3k8m n TYR 69 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 3k8m n SER 70 N -1.45 0.49 0.00 9.48 3.41 0.47 -2.71 113.62 123.31 3k8m n SER 70 Ca 0.05 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 3k8m n SER 70 Cb 0.17 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3k8m n SER 70 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3k8m n PHE 71 N -0.08 0.00 -4.30 7.33 7.35 -0.74 -4.60 117.46 122.41 3k8m n PHE 71 Ca 0.00 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.41 3k8m n PHE 71 Cb 0.09 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.76 3k8m n PHE 71 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3k8m s ALA 72 N -3.72 1.64 -0.21 3.13 0.00 -1.26 -4.56 121.76 116.77 3k8m s ALA 72 Ca 0.00 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 3k8m s ALA 72 Cb 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 3k8m s ALA 72 CO 0.00 -0.17 0.38 0.34 0.00 0.00 0.00 175.76 176.31 3k8m s ASP 73 N 1.16 6.39 -0.10 0.00 -1.08 -0.63 -1.53 116.67 120.88 3k8m s ASP 73 Ca -0.03 0.46 0.12 0.00 -0.52 0.00 0.00 52.55 52.58 3k8m s ASP 73 Cb -0.14 -2.22 -0.18 0.00 -1.46 0.00 0.00 42.92 38.92 3k8m s ASP 73 CO -0.04 -0.08 0.11 -1.54 0.52 0.00 0.00 175.17 174.14 3k8m n SER 74 N 4.58 1.73 -1.16 -0.34 3.41 -1.26 -4.02 113.62 116.55 3k8m n SER 74 Ca -0.09 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.61 3k8m n SER 74 Cb 0.51 1.03 0.27 0.00 -0.26 0.00 0.00 64.21 65.76 3k8m n SER 74 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3k8m n ASP 75 N -2.37 3.39 -3.14 4.04 5.75 -1.26 -5.00 116.55 117.96 3k8m n ASP 75 Ca -0.17 -2.13 -0.21 0.00 -0.01 0.00 0.00 54.79 52.27 3k8m n ASP 75 Cb 0.79 -0.43 0.02 0.00 -1.03 0.00 0.00 41.12 40.47 3k8m n ASP 75 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k8m n GLY 76 N 1.26 -0.77 0.24 6.12 0.00 -1.26 -4.94 105.19 105.83 3k8m n GLY 76 Ca 0.20 1.14 0.00 0.00 0.00 0.00 0.00 46.02 47.36 3k8m n GLY 76 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k8m n ASP 77 N -0.14 0.00 -0.07 1.61 5.75 -1.26 -5.01 116.55 117.43 3k8m n ASP 77 Ca 0.02 -1.09 -0.01 0.00 -0.01 0.00 0.00 54.79 53.70 3k8m n ASP 77 Cb 0.54 -0.02 -0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3k8m n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k8m n GLY 78 N 0.00 0.38 3.01 6.12 0.00 -1.26 -4.98 105.19 108.46 3k8m n GLY 78 Ca 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 3k8m n GLY 78 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k8m s TYR 79 N -1.69 1.19 0.63 1.61 5.04 -1.26 -0.89 117.35 121.98 3k8m s TYR 79 Ca 0.00 -0.37 -0.17 0.00 -2.44 0.00 0.00 57.07 54.09 3k8m s TYR 79 Cb 0.00 -0.87 -0.02 0.00 0.35 0.00 0.00 41.96 41.42 3k8m s TYR 79 CO 0.00 -0.19 1.16 0.20 -1.34 0.00 0.00 175.55 175.38 3k8m s GLY 80 N 0.47 2.47 0.18 8.97 0.00 -1.10 -4.44 107.32 113.87 3k8m s GLY 80 Ca -0.09 0.81 -0.08 0.00 0.00 0.00 0.00 44.72 45.36 3k8m s GLY 80 CO 0.02 1.18 0.27 0.51 0.00 0.00 0.00 173.10 175.09 3k8m s ASP 81 N -2.00 0.06 0.24 1.64 -4.77 -0.58 -4.44 116.67 106.82 3k8m s ASP 81 Ca 0.73 -1.01 -0.05 0.00 -3.30 0.00 0.00 52.55 48.92 3k8m s ASP 81 Cb -0.26 0.44 0.37 0.00 -1.09 0.00 0.00 42.92 42.39 3k8m s ASP 81 CO 0.36 -0.92 1.81 -0.07 0.70 0.00 0.00 175.17 177.05 3k8m h LEU 82 N 2.53 0.63 -1.43 2.11 3.38 -1.00 -0.64 115.31 120.89 3k8m h LEU 82 Ca -0.32 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 3k8m h LEU 82 Cb 1.23 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3k8m h LEU 82 CO 0.47 0.37 0.19 0.78 0.09 0.00 0.00 178.44 180.34 3k8m h ASN 83 N 0.75 0.51 -0.69 -0.43 2.35 -1.85 -1.87 115.58 114.35 3k8m h ASN 83 Ca 0.38 -0.04 0.04 0.00 -0.55 0.00 0.00 56.30 56.13 3k8m h ASN 83 Cb 0.35 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 3k8m h ASN 83 CO -0.24 0.44 0.45 1.23 -1.65 0.00 0.00 177.43 177.66 3k8m h GLY 84 N 0.69 0.93 1.69 2.83 0.00 -1.20 -0.39 103.07 107.63 3k8m h GLY 84 Ca 0.14 -0.32 -0.20 0.00 0.00 0.00 0.00 47.33 46.96 3k8m h GLY 84 CO -0.02 0.27 -0.84 -2.08 0.00 0.00 0.00 176.54 173.88 3k8m h VAL 85 N 0.81 1.44 -0.07 4.60 2.07 -1.26 -2.72 116.25 121.12 3k8m h VAL 85 Ca 0.28 -2.43 -0.10 0.00 0.82 0.00 0.00 66.70 65.27 3k8m h VAL 85 Cb 0.10 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3k8m h VAL 85 CO -0.08 0.72 -0.43 0.74 0.02 0.00 0.00 177.57 178.54 3k8m h THR 86 N 0.17 1.32 -0.01 2.57 2.02 -0.86 -1.97 112.91 116.15 3k8m h THR 86 Ca -0.05 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.60 3k8m h THR 86 Cb 1.44 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 3k8m h THR 86 CO 0.13 0.45 -0.03 0.00 0.37 0.00 0.00 175.52 176.45 3k8m n GLN 87 N -4.02 1.31 -0.02 6.66 6.02 -0.24 -3.36 117.38 123.74 3k8m n GLN 87 Ca -0.02 -0.57 0.01 0.00 -0.01 0.00 0.00 57.00 56.41 3k8m n GLN 87 Cb 0.48 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 30.27 3k8m n GLN 87 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3k8m n LYS 88 N -0.34 2.34 -0.26 -1.09 4.76 -0.91 -4.76 118.16 117.90 3k8m n LYS 88 Ca 0.20 -1.40 0.01 0.00 -2.87 0.00 0.00 58.31 54.24 3k8m n LYS 88 Cb 0.27 -1.03 0.13 0.00 -1.84 0.00 0.00 35.03 32.57 3k8m n LYS 88 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3k8m h LEU 89 N 0.25 0.58 -1.82 -0.35 3.38 -1.38 -1.92 115.31 114.05 3k8m h LEU 89 Ca 0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3k8m h LEU 89 Cb 0.45 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3k8m h LEU 89 CO 0.00 0.34 -0.12 0.44 0.09 0.00 0.00 178.44 179.19 3k8m h ASP 90 N 0.71 0.00 0.14 -0.43 3.32 -1.85 0.38 116.42 118.68 3k8m h ASP 90 Ca 0.35 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.30 3k8m h ASP 90 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3k8m h ASP 90 CO -0.23 0.12 -0.37 0.22 -1.72 0.00 0.00 179.24 177.26 3k8m h TYR 91 N 0.00 0.37 0.00 4.55 3.20 -1.71 -0.72 116.97 122.66 3k8m h TYR 91 Ca -0.00 -0.09 -0.18 0.00 3.14 0.00 0.00 58.73 61.59 3k8m h TYR 91 Cb 0.23 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3k8m h TYR 91 CO 0.00 0.65 -0.87 -0.07 -1.64 0.00 0.00 178.16 176.23 3k8m h LEU 92 N 0.27 0.00 -0.02 2.82 3.38 -0.50 -2.92 115.31 118.34 3k8m h LEU 92 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3k8m h LEU 92 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3k8m h LEU 92 CO 0.06 0.87 -0.15 -3.20 0.09 0.00 0.00 178.44 176.12 3k8m n ASN 93 N -3.49 0.17 0.17 -0.43 4.05 0.11 -2.48 115.26 113.36 3k8m n ASN 93 Ca -0.00 0.18 0.10 0.00 0.45 0.00 0.00 54.58 55.31 3k8m n ASN 93 Cb 0.83 -0.25 0.10 0.00 1.23 0.00 0.00 39.78 41.69 3k8m n ASN 93 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 3k8m h GLN 94 N 0.04 0.00 -0.01 1.20 4.20 -0.95 -2.94 115.11 116.66 3k8m h GLN 94 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3k8m h GLN 94 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3k8m h GLN 94 CO 0.00 0.06 -0.32 1.28 -0.67 0.00 0.00 178.83 179.18 3k8m n LEU 95 N -2.99 0.93 -1.08 1.46 4.77 -1.04 -4.92 117.00 114.14 3k8m n LEU 95 Ca 0.02 -0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 55.64 3k8m n LEU 95 Cb 0.57 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 3k8m n LEU 95 CO 0.37 0.18 -0.13 0.61 -1.33 0.00 0.00 177.39 177.08 3k8m n GLY 96 N 1.38 1.46 3.76 -0.72 0.00 -1.11 -4.75 105.19 105.21 3k8m n GLY 96 Ca 0.11 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 3k8m n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k8m s VAL 97 N -2.52 2.72 -0.44 1.61 -7.23 -1.18 -4.67 120.40 108.69 3k8m s VAL 97 Ca 0.00 0.57 0.20 0.00 -1.81 0.00 0.00 61.98 60.94 3k8m s VAL 97 Cb 0.00 -3.30 -0.27 0.00 0.56 0.00 0.00 36.38 33.37 3k8m s VAL 97 CO 0.00 0.02 0.62 1.17 -0.31 0.00 0.00 175.10 176.60 3k8m n LYS 98 N -0.42 0.57 -3.82 4.82 4.81 0.10 -4.83 118.16 119.40 3k8m n LYS 98 Ca 0.07 -0.10 -0.12 0.00 -0.87 0.00 0.00 58.31 57.29 3k8m n LYS 98 Cb 0.46 -1.46 -0.09 0.00 0.02 0.00 0.00 35.03 33.96 3k8m n LYS 98 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3k8m s ALA 99 N -3.15 -0.51 -0.06 3.14 0.00 -1.17 -0.26 121.76 119.75 3k8m s ALA 99 Ca -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 51.98 3k8m s ALA 99 Cb 0.14 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 3k8m s ALA 99 CO 0.82 -0.28 -0.18 -0.51 0.00 0.00 0.00 175.76 175.61 3k8m s LEU 100 N -1.59 2.47 -0.33 0.00 1.02 -0.48 -0.83 118.68 118.93 3k8m s LEU 100 Ca -0.11 -0.34 -0.03 0.00 0.02 0.00 0.00 54.13 53.67 3k8m s LEU 100 Cb -0.05 -1.49 0.06 0.00 0.02 0.00 0.00 46.19 44.74 3k8m s LEU 100 CO 0.01 0.28 0.06 0.86 0.02 0.00 0.00 176.35 177.58 3k8m s TRP 101 N -0.36 3.34 0.19 0.29 -0.00 0.55 -0.14 118.94 122.80 3k8m s TRP 101 Ca 0.03 -1.93 -0.13 0.00 -0.00 0.00 0.00 56.10 54.07 3k8m s TRP 101 Cb -0.12 -2.38 -0.07 0.00 -0.00 0.00 0.00 33.47 30.89 3k8m s TRP 101 CO 0.02 -0.83 0.57 -0.51 -0.00 0.00 0.00 176.95 176.21 3k8m s LEU 102 N 1.25 4.26 0.91 5.86 1.43 -0.87 -2.11 118.68 129.41 3k8m s LEU 102 Ca -0.02 1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 54.02 3k8m s LEU 102 Cb -0.20 -3.50 0.14 0.00 0.03 0.00 0.00 46.19 42.66 3k8m s LEU 102 CO -0.01 0.01 1.10 -0.94 0.23 0.00 0.00 176.35 176.74 3k8m s SER 103 N -1.98 3.35 -0.06 2.29 1.04 -1.16 -2.89 113.70 114.29 3k8m s SER 103 Ca 0.43 1.35 -0.39 0.00 0.48 0.00 0.00 55.95 57.82 3k8m s SER 103 Cb -0.13 -2.03 -0.17 0.00 0.10 0.00 0.00 66.02 63.78 3k8m s SER 103 CO 0.20 -2.70 1.41 -2.65 0.98 0.00 0.00 173.24 170.48 3k8m n PRO 104 N -3.91 0.88 -0.23 4.02 -0.02 -1.26 -4.56 135.00 129.92 3k8m n PRO 104 Ca 0.06 0.32 0.09 0.00 -2.02 0.00 0.00 63.50 61.95 3k8m n PRO 104 Cb 0.56 -1.94 0.21 0.00 -0.02 0.00 0.00 33.50 32.32 3k8m n PRO 104 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3k8m n ILE 105 N 2.95 0.84 -2.94 4.25 -0.00 -1.26 -4.76 119.36 118.43 3k8m n ILE 105 Ca 0.21 -0.92 -0.22 0.00 -0.00 0.00 0.00 62.75 61.82 3k8m n ILE 105 Cb 0.14 0.64 0.02 0.00 -0.00 0.00 0.00 39.64 40.43 3k8m n ILE 105 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 3k8m s HIS 106 N -1.07 3.14 0.36 4.28 3.76 -1.26 0.11 115.29 124.60 3k8m s HIS 106 Ca 0.34 0.16 -0.28 0.00 -0.15 0.00 0.00 55.06 55.12 3k8m s HIS 106 Cb 0.18 -2.38 -0.11 0.00 1.11 0.00 0.00 32.58 31.38 3k8m s HIS 106 CO 0.24 -0.44 1.50 -2.14 -0.85 0.00 0.00 174.74 173.05 3k8m s PRO 107 N -4.57 4.13 0.00 8.40 0.02 -1.26 -4.31 135.00 137.40 3k8m s PRO 107 Ca 0.50 2.55 0.00 0.00 0.02 0.00 0.00 61.00 64.07 3k8m s PRO 107 Cb -0.10 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3k8m s PRO 107 CO 0.38 -0.54 0.00 0.00 -0.33 0.00 0.00 177.00 176.51 3k8m n SER 110 N 0.00 0.00 -0.06 0.00 7.64 -1.26 -4.89 113.62 115.05 3k8m n SER 110 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 3k8m n SER 110 Cb 0.00 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 63.59 3k8m n SER 110 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 3k8m h TYR 111 N 0.00 0.60 0.00 1.43 -0.00 -2.02 -2.02 116.97 114.97 3k8m h TYR 111 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.74 3k8m h TYR 111 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 36.73 36.53 3k8m h TYR 111 CO 0.00 0.37 0.00 -2.39 -0.00 0.00 0.00 178.16 176.14 3k8m n HIS 112 N -4.47 0.00 -0.79 0.10 1.44 -1.26 -4.91 115.22 105.33 3k8m n HIS 112 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 3k8m n HIS 112 Cb 0.09 -0.48 0.00 0.00 0.12 0.00 0.00 29.99 29.72 3k8m n HIS 112 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3k8m n GLY 113 N 0.19 0.57 0.08 -1.39 0.00 -0.76 -4.54 105.19 99.34 3k8m n GLY 113 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 3k8m n GLY 113 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k8m n TYR 114 N -2.01 0.05 -3.48 1.61 4.01 -1.26 -4.07 117.16 112.01 3k8m n TYR 114 Ca 0.00 -0.02 -0.27 0.00 -0.16 0.00 0.00 57.90 57.44 3k8m n TYR 114 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 3k8m n TYR 114 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3k8m n ASP 115 N -0.51 3.72 -4.76 7.72 3.85 -1.26 -4.81 116.55 120.50 3k8m n ASP 115 Ca 0.09 -3.42 -0.40 0.00 -0.71 0.00 0.00 54.79 50.35 3k8m n ASP 115 Cb 0.07 -0.69 0.02 0.00 -1.35 0.00 0.00 41.12 39.18 3k8m n ASP 115 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3k8m s VAL 116 N -2.36 2.03 -0.06 2.12 -7.23 -1.26 -4.15 120.40 109.50 3k8m s VAL 116 Ca 0.38 0.03 0.05 0.00 -1.81 0.00 0.00 61.98 60.63 3k8m s VAL 116 Cb 0.12 -3.01 -0.08 0.00 0.56 0.00 0.00 36.38 33.97 3k8m s VAL 116 CO -0.03 0.00 0.14 0.41 -0.31 0.00 0.00 175.10 175.31 3k8m n THR 117 N -0.41 0.00 -3.15 5.32 -1.04 0.13 -0.66 114.28 114.47 3k8m n THR 117 Ca 0.06 -0.18 0.04 0.00 -2.04 0.00 0.00 64.05 61.94 3k8m n THR 117 Cb 0.42 0.51 -0.00 0.00 -1.82 0.00 0.00 70.33 69.44 3k8m n THR 117 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3k8m s ASP 118 N -2.38 -1.18 0.03 8.00 -1.08 -1.23 -4.45 116.67 114.38 3k8m s ASP 118 Ca -0.01 0.30 0.14 0.00 -0.52 0.00 0.00 52.55 52.46 3k8m s ASP 118 Cb 0.04 1.82 0.59 0.00 -1.46 0.00 0.00 42.92 43.90 3k8m s ASP 118 CO 0.22 -0.22 1.43 -1.22 0.52 0.00 0.00 175.17 175.91 3k8m n TYR 119 N 5.36 0.10 0.59 -5.34 4.02 -1.26 -3.16 117.16 117.46 3k8m n TYR 119 Ca 0.04 0.04 0.11 0.00 -0.01 0.00 0.00 57.90 58.07 3k8m n TYR 119 Cb 0.54 -0.56 -0.03 0.00 -0.02 0.00 0.00 39.34 39.27 3k8m n TYR 119 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3k8m n THR 120 N -1.59 0.10 -3.66 -0.72 -2.24 -1.26 -4.85 114.28 100.06 3k8m n THR 120 Ca 0.03 -0.22 -0.17 0.00 -2.27 0.00 0.00 64.05 61.42 3k8m n THR 120 Cb 0.15 0.36 0.01 0.00 -2.10 0.00 0.00 70.33 68.74 3k8m n THR 120 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3k8m n LYS 121 N -1.89 0.93 -5.03 -0.78 5.02 -1.19 -5.05 118.16 110.16 3k8m n LYS 121 Ca 0.02 -2.25 -0.32 0.00 -2.02 0.00 0.00 58.31 53.73 3k8m n LYS 121 Cb 0.43 0.19 -0.14 0.00 -0.02 0.00 0.00 35.03 35.49 3k8m n LYS 121 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3k8m s VAL 122 N -1.75 2.72 -0.10 -0.18 1.01 -1.26 -4.31 120.40 116.53 3k8m s VAL 122 Ca 0.23 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 3k8m s VAL 122 Cb -0.02 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.27 3k8m s VAL 122 CO 0.15 0.58 1.97 0.21 0.00 0.00 0.00 175.10 178.01 3k8m s ASN 123 N -0.70 6.10 0.48 3.32 3.84 0.30 -4.53 114.94 123.75 3k8m s ASN 123 Ca 0.11 2.18 0.27 0.00 0.21 0.00 0.00 52.86 55.63 3k8m s ASN 123 Cb -0.10 -2.52 1.32 0.00 -0.55 0.00 0.00 41.25 39.39 3k8m s ASN 123 CO 0.00 -1.40 1.84 -0.65 -2.79 0.00 0.00 177.10 174.10 3k8m h PRO 124 N 12.10 0.18 0.00 0.43 0.11 -1.90 0.36 132.00 143.28 3k8m h PRO 124 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3k8m h PRO 124 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3k8m h PRO 124 CO 0.96 0.12 0.00 0.94 -0.21 0.00 0.00 178.00 179.81 3k8m n GLN 125 N -4.39 0.15 -0.01 1.05 7.27 -1.26 -3.19 117.38 117.00 3k8m n GLN 125 Ca 0.22 0.06 0.05 0.00 0.07 0.00 0.00 57.00 57.40 3k8m n GLN 125 Cb 0.95 -1.50 -0.11 0.00 2.41 0.00 0.00 30.24 31.99 3k8m n GLN 125 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3k8m n LEU 126 N -1.41 0.00 0.00 1.69 4.77 0.12 -4.82 117.00 117.35 3k8m n LEU 126 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3k8m n LEU 126 Cb 0.26 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3k8m n LEU 126 CO 0.22 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3k8m n GLY 127 N 1.76 -0.20 3.65 -0.72 0.00 -0.90 -0.36 105.19 108.43 3k8m n GLY 127 Ca -0.05 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 3k8m n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k8m s THR 128 N -2.97 1.66 0.28 2.61 -4.23 -1.26 -4.05 115.64 107.68 3k8m s THR 128 Ca 0.00 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 3k8m s THR 128 Cb 0.00 -2.73 0.26 0.00 1.34 0.00 0.00 72.50 71.38 3k8m s THR 128 CO 0.00 0.00 1.95 -0.33 -0.54 0.00 0.00 174.62 175.70 3k8m h GLU 129 N 1.67 1.15 -0.28 3.99 4.39 -1.97 -2.29 114.58 121.24 3k8m h GLU 129 Ca -0.44 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.19 3k8m h GLU 129 Cb 1.26 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 3k8m h GLU 129 CO 0.78 0.76 0.16 0.77 -1.16 0.00 0.00 179.01 180.32 3k8m h SER 130 N 1.19 0.34 -0.83 1.42 0.02 -1.99 -1.23 113.55 112.47 3k8m h SER 130 Ca 0.34 -0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.28 3k8m h SER 130 Cb -0.09 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.30 3k8m h SER 130 CO -0.08 0.31 0.51 0.44 -1.14 0.00 0.00 176.83 176.87 3k8m h ASP 131 N 0.35 0.78 -0.24 3.07 3.32 -1.82 -2.08 116.42 119.80 3k8m h ASP 131 Ca 0.10 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3k8m h ASP 131 Cb 0.04 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3k8m h ASP 131 CO -0.02 0.49 -0.01 0.15 -1.72 0.00 0.00 179.24 178.14 3k8m h PHE 132 N 0.91 0.48 0.00 4.55 3.57 -1.09 -2.31 116.94 123.05 3k8m h PHE 132 Ca 0.37 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 3k8m h PHE 132 Cb 0.21 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 3k8m h PHE 132 CO -0.04 0.61 -0.01 -0.44 -2.23 0.00 0.00 178.31 176.20 3k8m h ASP 133 N 0.21 0.00 -0.01 0.41 3.32 -0.76 -1.62 116.42 117.96 3k8m h ASP 133 Ca 0.07 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 3k8m h ASP 133 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3k8m h ASP 133 CO 0.01 0.01 -0.23 -0.09 -1.72 0.00 0.00 179.24 177.23 3k8m h ARG 134 N 0.00 0.18 -0.51 3.56 2.43 -1.25 -2.58 114.38 116.21 3k8m h ARG 134 Ca -0.00 -0.17 0.10 0.00 -0.81 0.00 0.00 59.98 59.09 3k8m h ARG 134 Cb 0.02 0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 29.51 3k8m h ARG 134 CO 0.00 0.88 -0.30 1.25 -1.51 0.00 0.00 179.97 180.29 3k8m h LEU 135 N -0.47 -1.04 -0.05 3.80 5.85 -0.77 0.73 115.31 123.37 3k8m h LEU 135 Ca -0.02 0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.94 3k8m h LEU 135 Cb 0.95 0.52 -0.05 0.00 0.37 0.00 0.00 40.66 42.45 3k8m h LEU 135 CO 0.05 -0.30 -0.28 0.58 -0.34 0.00 0.00 178.44 178.15 3k8m h VAL 136 N -0.18 0.36 0.21 1.05 2.07 -1.37 0.38 116.25 118.78 3k8m h VAL 136 Ca 0.22 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.73 3k8m h VAL 136 Cb 0.53 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3k8m h VAL 136 CO -0.61 0.00 -0.28 0.74 0.02 0.00 0.00 177.57 177.44 3k8m h THR 137 N -0.40 0.00 -0.88 2.57 2.02 -0.45 0.20 112.91 115.96 3k8m h THR 137 Ca 0.08 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.44 3k8m h THR 137 Cb 0.51 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.85 3k8m h THR 137 CO -0.27 0.00 0.58 -0.33 0.37 0.00 0.00 175.52 175.87 3k8m h GLU 138 N -0.51 0.45 0.04 6.66 4.39 0.45 -0.63 114.58 125.43 3k8m h GLU 138 Ca -0.02 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 3k8m h GLU 138 Cb 0.46 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3k8m h GLU 138 CO -0.07 0.30 -0.02 0.00 -1.16 0.00 0.00 179.01 178.05 3k8m h ALA 139 N 1.62 -0.06 -0.82 3.43 0.00 0.38 -3.09 119.26 120.72 3k8m h ALA 139 Ca 0.46 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3k8m h ALA 139 Cb 1.05 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3k8m h ALA 139 CO -0.18 -0.34 0.49 0.45 0.00 0.00 0.00 179.25 179.67 3k8m h HIS 140 N -0.44 1.08 -0.93 0.00 3.86 0.17 -0.77 115.15 118.12 3k8m h HIS 140 Ca -0.01 -0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.39 3k8m h HIS 140 Cb 0.40 -0.35 -0.11 0.00 1.06 0.00 0.00 27.41 28.41 3k8m h HIS 140 CO 0.05 0.72 0.50 -0.91 0.86 0.00 0.00 177.93 179.16 3k8m h ASN 141 N 1.12 0.59 -0.32 2.45 2.35 -1.14 0.56 115.58 121.18 3k8m h ASN 141 Ca 0.29 0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 56.13 3k8m h ASN 141 Cb -0.04 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3k8m h ASN 141 CO -0.05 0.17 0.03 0.54 -1.65 0.00 0.00 177.43 176.47 3k8m n ARG 142 N -4.88 2.93 -3.44 0.81 1.74 -0.92 -4.91 116.66 107.98 3k8m n ARG 142 Ca 0.22 -1.65 -0.20 0.00 -0.77 0.00 0.00 57.85 55.44 3k8m n ARG 142 Cb 0.57 -1.88 0.06 0.00 -1.02 0.00 0.00 32.46 30.19 3k8m n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k8m n GLY 143 N 0.26 -0.90 2.72 -0.13 0.00 0.20 -5.01 105.19 102.32 3k8m n GLY 143 Ca 0.16 0.43 -0.26 0.00 0.00 0.00 0.00 46.02 46.36 3k8m n GLY 143 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k8m s ILE 144 N -3.45 0.34 0.77 -0.61 1.01 -0.34 -4.72 121.20 114.20 3k8m s ILE 144 Ca 0.34 -0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 3k8m s ILE 144 Cb -0.07 -0.78 0.05 0.00 0.01 0.00 0.00 42.46 41.67 3k8m s ILE 144 CO 0.78 -0.09 1.08 -0.54 0.00 0.00 0.00 174.94 176.17 3k8m s LYS 145 N 1.96 2.31 -0.09 2.79 1.02 0.64 -3.48 119.74 124.88 3k8m s LYS 145 Ca 0.01 1.07 0.01 0.00 0.02 0.00 0.00 55.97 57.09 3k8m s LYS 145 Cb -0.15 -1.91 0.02 0.00 -0.52 0.00 0.00 37.83 35.26 3k8m s LYS 145 CO -0.07 -1.58 -0.12 0.42 -0.92 0.00 0.00 175.35 173.07 3k8m s ILE 146 N -2.95 1.26 -0.04 2.17 1.01 -1.26 -1.38 121.20 120.00 3k8m s ILE 146 Ca 0.61 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.77 3k8m s ILE 146 Cb -0.16 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 3k8m s ILE 146 CO 0.56 0.39 -0.08 -0.31 0.00 0.00 0.00 174.94 175.50 3k8m s TYR 147 N 1.03 2.88 -0.06 3.97 2.02 0.80 -0.96 117.35 127.03 3k8m s TYR 147 Ca -0.07 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 3k8m s TYR 147 Cb -0.15 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 3k8m s TYR 147 CO -0.01 0.32 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.75 3k8m s LEU 148 N -0.98 3.37 -0.29 -1.29 1.43 0.01 -2.06 118.68 118.87 3k8m s LEU 148 Ca 0.14 0.04 -0.29 0.00 -1.03 0.00 0.00 54.13 52.98 3k8m s LEU 148 Cb -0.11 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.33 3k8m s LEU 148 CO 0.03 0.35 1.22 -0.62 0.23 0.00 0.00 176.35 177.57 3k8m s ASP 149 N -0.97 6.79 -0.33 2.29 -1.08 -1.14 -1.23 116.67 121.00 3k8m s ASP 149 Ca 0.14 1.21 -0.03 0.00 -0.52 0.00 0.00 52.55 53.35 3k8m s ASP 149 Cb -0.11 -2.54 0.05 0.00 -1.46 0.00 0.00 42.92 38.86 3k8m s ASP 149 CO 0.03 -0.98 0.06 -0.47 0.52 0.00 0.00 175.17 174.33 3k8m s TYR 150 N 4.03 3.30 0.38 -5.34 5.04 -0.52 -4.48 117.35 119.76 3k8m s TYR 150 Ca 0.52 -1.82 -0.20 0.00 -2.44 0.00 0.00 57.07 53.14 3k8m s TYR 150 Cb -0.16 -2.31 -0.10 0.00 0.35 0.00 0.00 41.96 39.75 3k8m s TYR 150 CO 0.20 -0.81 0.88 0.08 -1.34 0.00 0.00 175.55 174.56 3k8m s VAL 151 N 1.28 4.47 0.00 3.14 1.01 -1.26 -3.91 120.40 125.12 3k8m s VAL 151 Ca -0.02 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.31 3k8m s VAL 151 Cb -0.20 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.52 3k8m s VAL 151 CO -0.00 -0.21 0.00 -3.20 0.00 0.00 0.00 175.10 171.69 3k8m n ASN 153 N -0.38 0.00 -3.75 3.32 5.15 -1.26 -4.86 115.26 113.48 3k8m n ASN 153 Ca 0.05 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.98 3k8m n ASN 153 Cb 0.53 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.77 3k8m n ASN 153 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 3k8m s HIS 154 N 0.00 -0.14 0.39 1.20 -3.43 -1.26 -1.35 115.29 110.71 3k8m s HIS 154 Ca 0.00 -0.27 0.06 0.00 -0.80 0.00 0.00 55.06 54.05 3k8m s HIS 154 Cb 0.00 0.69 -0.07 0.00 -1.43 0.00 0.00 32.58 31.77 3k8m s HIS 154 CO 0.00 -1.07 0.03 0.95 -2.00 0.00 0.00 174.74 172.65 3k8m s THR 155 N -3.50 1.70 0.63 -5.38 -4.23 -0.93 -4.73 115.64 99.20 3k8m s THR 155 Ca 0.12 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.52 3k8m s THR 155 Cb -0.04 -2.88 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 3k8m s THR 155 CO 0.05 0.00 1.04 -0.83 -0.54 0.00 0.00 174.62 174.34 3k8m s GLY 156 N -3.66 1.66 0.02 3.99 0.00 0.17 -1.37 107.32 108.14 3k8m s GLY 156 Ca 0.33 -0.06 0.23 0.00 0.00 0.00 0.00 44.72 45.22 3k8m s GLY 156 CO 0.16 0.21 1.73 -1.30 0.00 0.00 0.00 173.10 173.91 3k8m n THR 157 N -2.81 0.46 1.57 0.90 -2.24 -0.44 -2.37 114.28 109.35 3k8m n THR 157 Ca 0.06 0.09 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 3k8m n THR 157 Cb 0.54 -0.73 0.55 0.00 -2.10 0.00 0.00 70.33 68.59 3k8m n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k8m n ALA 158 N -1.53 2.58 -2.60 6.98 0.00 -1.26 -4.45 120.51 120.23 3k8m n ALA 158 Ca 0.05 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 3k8m n ALA 158 Cb 0.27 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 3k8m n ALA 158 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3k8m s HIS 159 N -1.93 3.51 0.48 0.00 5.04 -1.00 -4.89 115.29 116.51 3k8m s HIS 159 Ca 0.36 1.51 0.38 0.00 -1.54 0.00 0.00 55.06 55.77 3k8m s HIS 159 Cb 0.19 -3.25 1.56 0.00 0.04 0.00 0.00 32.58 31.12 3k8m s HIS 159 CO 0.30 -0.54 1.60 -1.00 -2.34 0.00 0.00 174.74 172.76 3k8m h PRO 160 N 6.96 0.03 -0.41 2.88 0.13 -1.90 0.41 132.00 140.10 3k8m h PRO 160 Ca -0.38 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.72 3k8m h PRO 160 Cb 1.20 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3k8m h PRO 160 CO 0.80 0.02 0.14 -1.49 -0.23 0.00 0.00 178.00 177.25 3k8m h TRP 161 N 0.03 0.65 -0.21 1.56 6.55 -1.92 -0.93 115.95 121.68 3k8m h TRP 161 Ca 0.87 -0.06 -0.16 0.00 0.95 0.00 0.00 58.89 60.49 3k8m h TRP 161 Cb 3.03 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 31.14 3k8m h TRP 161 CO -0.00 0.59 -0.52 0.35 -1.05 0.00 0.00 178.44 177.80 3k8m h PHE 162 N 0.52 0.73 -0.97 0.49 3.57 -0.55 0.28 116.94 121.01 3k8m h PHE 162 Ca 0.13 -0.25 0.06 0.00 3.53 0.00 0.00 57.97 61.44 3k8m h PHE 162 Cb 0.24 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.77 3k8m h PHE 162 CO 0.01 0.99 0.62 1.15 -2.23 0.00 0.00 178.31 178.84 3k8m h THR 163 N 0.46 1.10 0.04 4.41 2.02 -0.99 -0.32 112.91 119.63 3k8m h THR 163 Ca 0.02 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 3k8m h THR 163 Cb 1.07 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3k8m h THR 163 CO 0.10 0.21 -0.02 -0.33 0.37 0.00 0.00 175.52 175.85 3k8m h GLU 164 N 1.15 -0.05 -0.96 6.66 4.39 -0.94 -3.10 114.58 121.73 3k8m h GLU 164 Ca 0.41 0.00 0.15 0.00 0.34 0.00 0.00 59.36 60.26 3k8m h GLU 164 Cb 0.12 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.70 3k8m h GLU 164 CO -0.16 0.62 0.61 0.00 -1.16 0.00 0.00 179.01 178.92 3k8m h ALA 165 N -0.08 1.71 0.00 3.43 0.00 -0.30 -1.44 119.26 122.58 3k8m h ALA 165 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3k8m h ALA 165 Cb 0.69 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3k8m h ALA 165 CO 0.01 0.01 -0.31 -1.13 0.00 0.00 0.00 179.25 177.83 3k8m n SER 166 N -4.63 0.42 -0.04 0.00 3.41 -0.14 -4.03 113.62 108.60 3k8m n SER 166 Ca 0.20 0.16 -0.12 0.00 -0.26 0.00 0.00 58.87 58.85 3k8m n SER 166 Cb 0.47 -0.13 0.02 0.00 -0.26 0.00 0.00 64.21 64.31 3k8m n SER 166 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3k8m h SER 167 N 0.00 0.80 -4.66 4.04 4.64 -1.18 -3.46 113.55 113.73 3k8m h SER 167 Ca 0.00 -0.41 -0.12 0.00 -0.47 0.00 0.00 61.79 60.79 3k8m h SER 167 Cb 0.58 -0.23 -0.21 0.00 -0.31 0.00 0.00 62.40 62.23 3k8m h SER 167 CO 0.00 1.16 -0.25 -0.55 -0.87 0.00 0.00 176.83 176.32 3k8m s SER 168 N -6.91 -0.27 0.00 4.97 0.15 -1.24 -5.00 113.70 105.40 3k8m s SER 168 Ca -0.09 0.31 0.21 0.00 0.70 0.00 0.00 55.95 57.08 3k8m s SER 168 Cb 0.11 0.46 0.97 0.00 -1.71 0.00 0.00 66.02 65.84 3k8m s SER 168 CO 0.86 -0.36 1.67 -1.54 1.20 0.00 0.00 173.24 175.07 3k8m n SER 169 N 1.72 0.00 -0.44 5.45 3.41 -1.26 -2.26 113.62 120.24 3k8m n SER 169 Ca -0.19 0.27 0.12 0.00 -0.26 0.00 0.00 58.87 58.81 3k8m n SER 169 Cb 0.56 -0.41 0.12 0.00 -0.26 0.00 0.00 64.21 64.23 3k8m n SER 169 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k8m n GLU 170 N -1.41 1.14 -1.53 4.33 -0.58 -1.26 -4.94 120.64 116.39 3k8m n GLU 170 Ca 0.07 -0.88 -0.35 0.00 -0.42 0.00 0.00 57.16 55.58 3k8m n GLU 170 Cb 0.21 -1.48 0.09 0.00 -0.57 0.00 0.00 31.44 29.68 3k8m n GLU 170 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3k8m s SER 171 N -2.47 4.30 0.26 1.62 0.15 -0.96 -4.91 113.70 111.69 3k8m s SER 171 Ca 0.21 2.47 0.11 0.00 0.70 0.00 0.00 55.95 59.44 3k8m s SER 171 Cb 0.19 -2.60 0.27 0.00 -1.71 0.00 0.00 66.02 62.17 3k8m s SER 171 CO 0.55 -2.20 1.56 -0.65 1.20 0.00 0.00 173.24 173.69 3k8m h PRO 172 N 0.00 0.00 0.00 5.44 0.11 -1.92 -2.82 132.00 132.81 3k8m h PRO 172 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3k8m h PRO 172 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3k8m h PRO 172 CO 0.51 0.66 -0.01 0.66 -0.21 0.00 0.00 178.00 179.60 3k8m n TYR 173 N -3.66 0.09 -0.39 0.65 4.01 -1.26 -4.21 117.16 112.39 3k8m n TYR 173 Ca -0.01 0.03 0.33 0.00 -0.16 0.00 0.00 57.90 58.09 3k8m n TYR 173 Cb 0.67 -0.54 0.60 0.00 -0.31 0.00 0.00 39.34 39.77 3k8m n TYR 173 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3k8m h ARG 174 N 0.00 0.10 -0.23 -0.72 9.65 -1.74 0.13 114.38 121.56 3k8m h ARG 174 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3k8m h ARG 174 Cb 0.52 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 3k8m h ARG 174 CO 0.00 0.06 0.00 0.09 2.80 0.00 0.00 179.97 182.92 3k8m n ASN 175 N -4.93 1.46 0.20 -3.80 3.02 -1.26 -3.65 115.26 106.30 3k8m n ASN 175 Ca 0.37 -1.86 0.09 0.00 -0.03 0.00 0.00 54.58 53.14 3k8m n ASN 175 Cb 1.32 -0.15 0.27 0.00 -0.61 0.00 0.00 39.78 40.61 3k8m n ASN 175 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 3k8m h TYR 176 N 1.72 0.00 -4.55 3.10 0.99 -1.00 -3.41 116.97 113.82 3k8m h TYR 176 Ca 0.00 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 60.30 3k8m h TYR 176 Cb 0.39 0.00 -0.09 0.00 1.00 0.00 0.00 36.73 38.03 3k8m h TYR 176 CO 0.15 0.23 -0.33 0.66 -0.00 0.00 0.00 178.16 178.87 3k8m n TYR 177 N -3.23 0.49 -3.79 4.88 4.01 -1.24 0.11 117.16 118.39 3k8m n TYR 177 Ca 0.02 -1.77 -0.36 0.00 -0.16 0.00 0.00 57.90 55.63 3k8m n TYR 177 Cb 0.54 -0.13 -0.12 0.00 -0.31 0.00 0.00 39.34 39.32 3k8m n TYR 177 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3k8m s SER 178 N -2.85 5.20 0.08 7.72 0.01 -1.25 -4.62 113.70 117.99 3k8m s SER 178 Ca 0.06 -2.15 0.03 0.00 1.31 0.00 0.00 55.95 55.21 3k8m s SER 178 Cb 0.00 -1.81 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 3k8m s SER 178 CO 0.05 -0.51 0.08 -0.36 0.41 0.00 0.00 173.24 172.91 3k8m s PHE 179 N 0.97 3.19 -0.28 2.43 0.08 -1.26 -1.29 117.98 121.83 3k8m s PHE 179 Ca 0.10 0.08 -0.23 0.00 0.12 0.00 0.00 56.93 56.99 3k8m s PHE 179 Cb -0.22 -1.62 0.09 0.00 -0.57 0.00 0.00 43.02 40.70 3k8m s PHE 179 CO -0.04 0.52 0.82 0.45 -0.10 0.00 0.00 175.22 176.87 3k8m s SER 180 N -2.39 -0.67 0.27 1.36 0.15 -0.10 -4.96 113.70 107.37 3k8m s SER 180 Ca 0.29 1.25 0.14 0.00 0.70 0.00 0.00 55.95 58.33 3k8m s SER 180 Cb -0.12 1.27 0.23 0.00 -1.71 0.00 0.00 66.02 65.69 3k8m s SER 180 CO 0.22 -0.21 1.52 -0.33 1.20 0.00 0.00 173.24 175.64 3k8m h GLU 181 N 5.05 0.00 -1.66 5.44 4.39 -1.87 0.63 114.58 126.57 3k8m h GLU 181 Ca -0.29 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.15 3k8m h GLU 181 Cb 1.17 0.00 -0.27 0.00 -0.10 0.00 0.00 28.75 29.55 3k8m h GLU 181 CO 0.09 0.59 -0.61 0.34 -1.16 0.00 0.00 179.01 178.26 3k8m s ASP 182 N -6.55 0.33 0.05 1.42 2.15 -1.26 -4.79 116.67 108.03 3k8m s ASP 182 Ca 0.01 -1.25 -0.21 0.00 0.43 0.00 0.00 52.55 51.53 3k8m s ASP 182 Cb 0.10 1.00 -0.10 0.00 -0.30 0.00 0.00 42.92 43.62 3k8m s ASP 182 CO 0.74 -0.24 1.33 -0.65 -0.17 0.00 0.00 175.17 176.18 3k8m h PRO 183 N 7.14 -0.54 -0.81 4.34 0.11 -1.97 -2.39 132.00 137.88 3k8m h PRO 183 Ca 0.04 0.04 0.11 0.00 0.11 0.00 0.00 66.00 66.30 3k8m h PRO 183 Cb 1.10 0.12 -0.12 0.00 0.11 0.00 0.00 31.00 32.21 3k8m h PRO 183 CO 0.18 -0.36 -0.36 1.17 -0.21 0.00 0.00 178.00 178.42 3k8m n LYS 184 N -4.22 -0.24 -0.02 1.05 4.81 -1.26 -0.09 118.16 118.19 3k8m n LYS 184 Ca -0.07 1.25 -0.13 0.00 -0.87 0.00 0.00 58.31 58.49 3k8m n LYS 184 Cb 0.27 -1.85 -0.11 0.00 0.02 0.00 0.00 35.03 33.37 3k8m n LYS 184 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3k8m h THR 185 N 0.00 1.46 -0.99 3.15 1.35 -1.98 -2.89 112.91 113.00 3k8m h THR 185 Ca 0.24 -1.44 0.25 0.00 -0.55 0.00 0.00 66.41 64.92 3k8m h THR 185 Cb 0.44 2.42 -0.13 0.00 -1.73 0.00 0.00 68.15 69.16 3k8m h THR 185 CO -0.80 0.37 0.56 0.44 -0.25 0.00 0.00 175.52 175.85 3k8m h ASP 186 N -0.63 0.61 0.54 5.36 3.32 -0.70 0.15 116.42 125.06 3k8m h ASP 186 Ca -0.00 0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3k8m h ASP 186 Cb 0.61 0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.23 3k8m h ASP 186 CO 0.00 0.06 -0.26 0.40 -1.72 0.00 0.00 179.24 177.72 3k8m h ILE 187 N 0.52 0.00 0.00 0.35 1.08 -0.49 -0.08 117.51 118.89 3k8m h ILE 187 Ca 0.65 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 65.10 3k8m h ILE 187 Cb 1.26 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 3k8m h ILE 187 CO -0.50 0.00 0.10 0.00 -0.69 0.00 0.00 178.15 177.06 3k8m n ALA 188 N -2.37 0.86 -0.81 1.87 0.00 -0.60 0.44 120.51 119.90 3k8m n ALA 188 Ca -0.09 0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.53 3k8m n ALA 188 Cb 0.29 -0.99 0.33 0.00 0.00 0.00 0.00 19.45 19.08 3k8m n ALA 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k8m n ALA 189 N -1.57 3.27 -4.19 0.00 0.00 0.41 -4.82 120.51 113.61 3k8m n ALA 189 Ca -0.01 -1.91 -0.32 0.00 0.00 0.00 0.00 53.44 51.20 3k8m n ALA 189 Cb 0.12 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 3k8m n ALA 189 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k8m n GLY 190 N 0.37 -0.26 0.13 0.00 0.00 0.17 -4.84 105.19 100.76 3k8m n GLY 190 Ca 0.24 0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.53 3k8m n GLY 190 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3k8m n LYS 191 N -4.61 1.93 -3.95 1.61 3.00 -0.09 -4.82 118.16 111.23 3k8m n LYS 191 Ca -0.29 -0.30 -0.31 0.00 -0.00 0.00 0.00 58.31 57.41 3k8m n LYS 191 Cb 0.68 -1.23 -0.14 0.00 0.00 0.00 0.00 35.03 34.34 3k8m n LYS 191 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3k8m s ILE 192 N -2.21 2.58 0.00 3.15 1.01 -1.26 -5.02 121.20 119.45 3k8m s ILE 192 Ca 0.08 -2.99 0.00 0.00 0.00 0.00 0.00 60.65 57.74 3k8m s ILE 192 Cb 0.12 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.78 3k8m s ILE 192 CO 0.53 -0.74 0.00 0.00 0.00 0.00 0.00 174.94 174.73 3k8m n ALA 193 N 3.49 0.00 0.00 9.38 0.00 -1.26 -4.06 120.51 128.06 3k8m n ALA 193 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3k8m n ALA 193 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 3k8m n ALA 193 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3k8m n ILE 195 N 0.13 0.00 -1.27 0.00 5.41 -1.26 -4.76 119.36 117.62 3k8m n ILE 195 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3k8m n ILE 195 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3k8m n ILE 195 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3k8m n THR 196 N 0.00 0.00 -2.12 1.39 -2.24 -1.26 -4.71 114.28 105.34 3k8m n THR 196 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 3k8m n THR 196 Cb 0.00 1.08 0.02 0.00 -2.10 0.00 0.00 70.33 69.33 3k8m n THR 196 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k8m n GLN 197 N 0.00 3.51 -0.14 -0.78 1.13 -1.26 -4.59 117.38 115.25 3k8m n GLN 197 Ca 0.00 -4.19 0.00 0.00 -1.94 0.00 0.00 57.00 50.87 3k8m n GLN 197 Cb 0.38 -2.25 0.00 0.00 0.11 0.00 0.00 30.24 28.49 3k8m n GLN 197 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3k8m n GLU 198 N -0.67 0.00 0.00 -1.09 1.02 -1.26 -4.90 120.64 113.74 3k8m n GLU 198 Ca 0.42 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3k8m n GLU 198 Cb 0.92 -0.14 0.00 0.00 -0.02 0.00 0.00 31.44 32.20 3k8m n GLU 198 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k8m n GLY 199 N 0.00 3.99 0.12 0.62 0.00 -1.26 -2.71 105.19 105.95 3k8m n GLY 199 Ca 0.00 0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 3k8m n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8m n ALA 200 N 12.46 1.15 0.00 4.61 0.00 -1.26 -3.78 120.51 133.69 3k8m n ALA 200 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3k8m n ALA 200 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3k8m n ALA 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k8m n ALA 201 N -2.92 1.13 0.48 0.00 0.00 -1.10 -0.86 120.51 117.24 3k8m n ALA 201 Ca -0.31 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.24 3k8m n ALA 201 Cb 1.05 -0.85 0.45 0.00 0.00 0.00 0.00 19.45 20.10 3k8m n ALA 201 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k8m n GLY 202 N -1.09 -1.29 3.74 0.00 0.00 -1.20 -4.73 105.19 100.62 3k8m n GLY 202 Ca 0.00 0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3k8m n GLY 202 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k8m s TYR 203 N -3.20 3.64 -0.15 1.61 5.04 -0.04 -5.04 117.35 119.19 3k8m s TYR 203 Ca 0.06 1.24 -0.04 0.00 -2.44 0.00 0.00 57.07 55.89 3k8m s TYR 203 Cb 0.10 -2.72 0.05 0.00 0.35 0.00 0.00 41.96 39.75 3k8m s TYR 203 CO 0.40 0.22 0.08 1.21 -1.34 0.00 0.00 175.55 176.11 3k8m s ASN 204 N 0.30 2.24 0.50 4.32 3.84 -1.26 -5.02 114.94 119.86 3k8m s ASN 204 Ca 0.34 -0.53 0.20 0.00 0.21 0.00 0.00 52.86 53.09 3k8m s ASN 204 Cb -0.18 -0.28 1.28 0.00 -0.55 0.00 0.00 41.25 41.51 3k8m s ASN 204 CO 0.18 -0.33 2.03 0.00 -2.79 0.00 0.00 177.10 176.19 3k8m h ALA 205 N 8.39 2.27 0.00 1.71 0.00 -1.96 -0.25 119.26 129.42 3k8m h ALA 205 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3k8m h ALA 205 Cb 1.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3k8m h ALA 205 CO 0.28 -0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.15 3k8m n ALA 206 N -2.59 1.80 -0.76 0.00 0.00 -1.26 -2.28 120.51 115.42 3k8m n ALA 206 Ca 0.07 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3k8m n ALA 206 Cb 0.43 -1.23 0.27 0.00 0.00 0.00 0.00 19.45 18.93 3k8m n ALA 206 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3k8m n GLU 207 N -1.28 3.31 -4.05 0.00 1.02 -0.11 -4.43 120.64 115.10 3k8m n GLU 207 Ca 0.07 -2.74 -0.23 0.00 -0.02 0.00 0.00 57.16 54.24 3k8m n GLU 207 Cb 0.11 -1.79 -0.17 0.00 -0.02 0.00 0.00 31.44 29.57 3k8m n GLU 207 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3k8m s TRP 208 N -2.30 0.97 0.11 -0.32 0.52 -0.97 -1.15 118.94 115.81 3k8m s TRP 208 Ca 0.41 -0.35 0.10 0.00 0.02 0.00 0.00 56.10 56.28 3k8m s TRP 208 Cb 0.31 -0.88 -0.04 0.00 -1.15 0.00 0.00 33.47 31.71 3k8m s TRP 208 CO 0.14 -0.31 -0.26 -0.06 0.02 0.00 0.00 176.95 176.48 3k8m s PHE 209 N 1.36 2.23 0.16 -1.98 0.08 -0.97 -4.91 117.98 113.95 3k8m s PHE 209 Ca -0.03 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.33 3k8m s PHE 209 Cb -0.14 -1.24 -0.07 0.00 -0.57 0.00 0.00 43.02 41.00 3k8m s PHE 209 CO -0.03 0.27 0.97 1.14 -0.10 0.00 0.00 175.22 177.48 3k8m s GLN 210 N -1.84 4.74 0.09 0.44 -2.07 -1.26 -0.65 119.66 119.10 3k8m s GLN 210 Ca 0.12 1.50 -0.20 0.00 -1.82 0.00 0.00 55.36 54.96 3k8m s GLN 210 Cb -0.10 -3.33 -0.10 0.00 -1.09 0.00 0.00 33.01 28.39 3k8m s GLN 210 CO 0.05 0.30 1.63 0.28 -1.32 0.00 0.00 175.29 176.22 3k8m h VAL 211 N 3.69 1.16 -1.63 3.63 2.07 -0.97 -3.47 116.25 120.73 3k8m h VAL 211 Ca -0.44 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 66.65 3k8m h VAL 211 Cb 1.21 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3k8m h VAL 211 CO 0.70 0.15 0.12 -1.54 0.02 0.00 0.00 177.57 177.02 3k8m n SER 212 N -4.86 -0.28 -0.86 0.57 3.41 -1.26 -5.01 113.62 105.34 3k8m n SER 212 Ca -0.04 -1.13 0.12 0.00 -0.26 0.00 0.00 58.87 57.56 3k8m n SER 212 Cb 0.12 0.45 0.25 0.00 -0.26 0.00 0.00 64.21 64.77 3k8m n SER 212 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3k8m n ASP 213 N -0.59 2.63 -4.74 4.04 8.00 -1.26 -4.54 116.55 120.08 3k8m n ASP 213 Ca -0.00 -1.86 -0.37 0.00 0.71 0.00 0.00 54.79 53.27 3k8m n ASP 213 Cb 0.10 -0.08 0.05 0.00 -0.02 0.00 0.00 41.12 41.17 3k8m n ASP 213 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3k8m s GLU 214 N -1.85 2.88 0.20 -1.24 2.12 -1.26 -4.91 118.70 114.64 3k8m s GLU 214 Ca 0.33 2.04 -0.11 0.00 0.36 0.00 0.00 54.97 57.60 3k8m s GLU 214 Cb 0.21 -2.01 -0.01 0.00 0.26 0.00 0.00 34.13 32.58 3k8m s GLU 214 CO 0.31 -1.34 0.37 0.95 -0.54 0.00 0.00 175.26 175.01 3k8m s THR 215 N -1.42 0.03 0.50 -1.70 -4.23 -1.26 -4.48 115.64 103.08 3k8m s THR 215 Ca 0.77 -1.38 -0.19 0.00 -1.18 0.00 0.00 61.69 59.71 3k8m s THR 215 Cb -0.36 -2.00 -0.08 0.00 1.34 0.00 0.00 72.50 71.39 3k8m s THR 215 CO 0.40 -0.14 1.02 0.00 -0.54 0.00 0.00 174.62 175.36 3k8m s ALA 216 N -3.99 2.90 0.70 3.99 0.00 -1.26 -4.99 121.76 119.10 3k8m s ALA 216 Ca 0.20 0.49 -0.07 0.00 0.00 0.00 0.00 51.96 52.57 3k8m s ALA 216 Cb 0.02 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 19.97 3k8m s ALA 216 CO 0.04 -0.31 1.02 0.00 0.00 0.00 0.00 175.76 176.51 3k8m s ALA 217 N -2.17 3.11 -0.07 0.00 0.00 -1.26 -4.66 121.76 116.71 3k8m s ALA 217 Ca 0.65 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.82 3k8m s ALA 217 Cb -0.14 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.31 3k8m s ALA 217 CO 0.23 -1.25 -0.19 0.08 0.00 0.00 0.00 175.76 174.63 3k8m s VAL 218 N -3.25 1.63 0.02 0.00 1.01 -0.81 -5.00 120.40 114.01 3k8m s VAL 218 Ca 0.59 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3k8m s VAL 218 Cb -0.11 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3k8m s VAL 218 CO 0.46 0.46 -0.03 -0.54 0.00 0.00 0.00 175.10 175.45 3k8m s LYS 219 N 0.35 0.30 0.00 2.72 1.02 -1.26 -1.86 119.74 121.01 3k8m s LYS 219 Ca -0.13 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.30 3k8m s LYS 219 Cb -0.16 0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.20 3k8m s LYS 219 CO 0.06 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 3k8m n GLY 220 N 1.76 1.65 3.54 -3.33 0.00 -0.11 -4.97 105.19 103.73 3k8m n GLY 220 Ca -0.22 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 3k8m n GLY 220 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k8m s LEU 221 N 0.00 4.38 -0.04 0.99 1.43 -1.26 -0.05 118.68 124.13 3k8m s LEU 221 Ca 0.00 -0.12 0.06 0.00 -1.03 0.00 0.00 54.13 53.04 3k8m s LEU 221 Cb 0.00 -2.76 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 3k8m s LEU 221 CO 0.00 -0.71 -0.21 -0.76 0.23 0.00 0.00 176.35 174.90 3k8m s LEU 222 N 2.80 2.01 -0.29 1.79 1.43 -0.93 -0.08 118.68 125.43 3k8m s LEU 222 Ca 0.24 -0.42 -0.15 0.00 -1.03 0.00 0.00 54.13 52.78 3k8m s LEU 222 Cb -0.14 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 3k8m s LEU 222 CO 0.17 0.23 0.35 -0.54 0.23 0.00 0.00 176.35 176.80 3k8m s LYS 223 N -0.27 3.90 -0.14 1.70 1.02 0.70 -2.76 119.74 123.90 3k8m s LYS 223 Ca 0.02 -0.10 -0.05 0.00 0.02 0.00 0.00 55.97 55.85 3k8m s LYS 223 Cb -0.11 -3.69 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 3k8m s LYS 223 CO 0.01 -0.33 0.04 -0.06 -0.92 0.00 0.00 175.35 174.09 3k8m s PHE 224 N 2.03 3.23 -0.10 3.18 0.40 0.54 -1.14 117.98 126.13 3k8m s PHE 224 Ca 0.13 0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.59 3k8m s PHE 224 Cb -0.16 -1.95 0.02 0.00 0.51 0.00 0.00 43.02 41.44 3k8m s PHE 224 CO 0.11 0.30 -0.12 0.99 0.70 0.00 0.00 175.22 177.19 3k8m s THR 225 N -0.20 1.26 -0.24 0.64 2.01 -0.08 -1.79 115.64 117.23 3k8m s THR 225 Ca 0.07 -0.49 -0.06 0.00 0.31 0.00 0.00 61.69 61.52 3k8m s THR 225 Cb -0.12 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 3k8m s THR 225 CO 0.02 0.40 0.02 -0.76 -0.69 0.00 0.00 174.62 173.61 3k8m s LEU 226 N 1.17 3.27 -0.53 4.42 1.43 0.16 -1.05 118.68 127.55 3k8m s LEU 226 Ca -0.04 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.52 3k8m s LEU 226 Cb -0.14 -1.83 0.10 0.00 0.03 0.00 0.00 46.19 44.34 3k8m s LEU 226 CO -0.03 -0.05 0.54 -0.62 0.23 0.00 0.00 176.35 176.42 3k8m s ASP 227 N 1.54 6.18 -0.24 2.29 2.15 0.94 -0.09 116.67 129.44 3k8m s ASP 227 Ca 0.05 -1.47 0.13 0.00 0.43 0.00 0.00 52.55 51.70 3k8m s ASP 227 Cb -0.15 -2.24 0.80 0.00 -0.30 0.00 0.00 42.92 41.03 3k8m s ASP 227 CO 0.00 -0.87 1.73 1.87 -0.17 0.00 0.00 175.17 177.73 3k8m n TRP 228 N 5.63 2.09 -0.81 -5.34 -0.00 0.26 -1.20 117.44 118.07 3k8m n TRP 228 Ca -0.12 -0.76 -0.10 0.00 -0.00 0.00 0.00 57.50 56.53 3k8m n TRP 228 Cb 0.42 -0.53 -0.02 0.00 -0.00 0.00 0.00 31.31 31.18 3k8m n TRP 228 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 3k8m n SER 229 N 0.54 5.78 -2.66 5.87 7.64 -1.24 -3.52 113.62 126.03 3k8m n SER 229 Ca 0.29 -2.70 -0.03 0.00 1.01 0.00 0.00 58.87 57.44 3k8m n SER 229 Cb 1.20 -1.17 0.08 0.00 -1.01 0.00 0.00 64.21 63.31 3k8m n SER 229 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3k8m n ASN 230 N 1.26 -1.12 0.00 6.43 4.05 -1.26 -5.07 115.26 119.56 3k8m n ASN 230 Ca 0.21 -1.68 0.00 0.00 0.45 0.00 0.00 54.58 53.57 3k8m n ASN 230 Cb 0.60 1.06 0.00 0.00 1.23 0.00 0.00 39.78 42.68 3k8m n ASN 230 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3k8m n ALA 231 N 0.21 0.00 -0.25 5.20 0.00 -1.23 -0.89 120.51 123.55 3k8m n ALA 231 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 3k8m n ALA 231 Cb 0.73 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.09 3k8m n ALA 231 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3k8m h PRO 232 N 0.00 -0.18 -3.19 0.00 0.13 -1.97 -3.25 132.00 123.54 3k8m h PRO 232 Ca 0.00 0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.51 3k8m h PRO 232 Cb 0.00 0.04 -0.41 0.00 0.13 0.00 0.00 31.00 30.76 3k8m h PRO 232 CO 0.00 -0.12 -0.58 0.45 -0.23 0.00 0.00 178.00 177.52 3k8m s SER 233 N -5.05 4.69 0.61 1.44 0.15 -0.06 -4.77 113.70 110.70 3k8m s SER 233 Ca -0.12 -3.57 -0.17 0.00 0.70 0.00 0.00 55.95 52.79 3k8m s SER 233 Cb 0.09 -1.65 -0.03 0.00 -1.71 0.00 0.00 66.02 62.73 3k8m s SER 233 CO 0.56 -0.14 1.11 -2.16 1.20 0.00 0.00 173.24 173.82 3k8m s PRO 234 N -1.06 3.05 -0.00 5.44 0.04 -1.18 -4.78 135.00 136.51 3k8m s PRO 234 Ca 0.22 1.47 0.05 0.00 0.04 0.00 0.00 61.00 62.78 3k8m s PRO 234 Cb -0.12 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 3k8m s PRO 234 CO -0.11 -1.07 -0.14 0.42 0.04 0.00 0.00 177.00 176.14 3k8m s ILE 235 N -2.12 3.09 -0.04 0.56 1.01 -0.34 -1.71 121.20 121.64 3k8m s ILE 235 Ca 0.69 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 60.47 3k8m s ILE 235 Cb -0.22 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 3k8m s ILE 235 CO 0.35 0.45 -0.17 -0.22 0.00 0.00 0.00 174.94 175.35 3k8m s LEU 236 N -1.17 1.94 -0.05 2.97 2.96 0.05 -0.04 118.68 125.33 3k8m s LEU 236 Ca 0.14 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 3k8m s LEU 236 Cb -0.11 -0.96 0.01 0.00 0.50 0.00 0.00 46.19 45.63 3k8m s LEU 236 CO 0.04 0.17 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.44 3k8m s VAL 237 N -0.06 0.98 -0.09 1.68 1.01 -0.21 -0.05 120.40 123.66 3k8m s VAL 237 Ca -0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 3k8m s VAL 237 Cb -0.11 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3k8m s VAL 237 CO 0.02 0.32 -0.07 -0.69 0.00 0.00 0.00 175.10 174.67 3k8m s VAL 238 N 0.58 3.69 0.13 2.92 1.01 -1.26 -0.91 120.40 126.57 3k8m s VAL 238 Ca -0.11 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 3k8m s VAL 238 Cb -0.14 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3k8m s VAL 238 CO 0.02 0.57 0.17 -0.94 0.00 0.00 0.00 175.10 174.92 3k8m s SER 239 N -0.48 0.18 0.24 3.32 1.04 -0.29 -0.25 113.70 117.45 3k8m s SER 239 Ca 0.07 -0.94 -0.30 0.00 0.48 0.00 0.00 55.95 55.26 3k8m s SER 239 Cb -0.12 0.35 -0.10 0.00 0.10 0.00 0.00 66.02 66.25 3k8m s SER 239 CO 0.02 -0.79 1.45 -0.89 0.98 0.00 0.00 173.24 174.02 3k8m s THR 240 N -3.97 2.67 0.33 2.02 2.01 -1.26 -0.21 115.64 117.22 3k8m s THR 240 Ca 0.16 0.55 -0.05 0.00 0.31 0.00 0.00 61.69 62.66 3k8m s THR 240 Cb 0.05 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 3k8m s THR 240 CO -0.03 0.08 0.60 -0.83 -0.69 0.00 0.00 174.62 173.76 3k8m s GLY 241 N 0.44 1.76 -0.09 4.40 0.00 0.89 -4.52 107.32 110.20 3k8m s GLY 241 Ca 0.60 -0.56 0.07 0.00 0.00 0.00 0.00 44.72 44.83 3k8m s GLY 241 CO 0.42 -0.45 0.02 -1.30 0.00 0.00 0.00 173.10 171.79 3k8m n THR 242 N -1.23 0.62 -3.70 0.90 -2.24 -1.26 -4.82 114.28 102.56 3k8m n THR 242 Ca -0.01 -0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 3k8m n THR 242 Cb 0.54 -0.78 -0.12 0.00 -2.10 0.00 0.00 70.33 67.88 3k8m n THR 242 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3k8m s LYS 243 N -2.22 0.31 0.47 -0.78 2.47 -1.26 -5.14 119.74 113.58 3k8m s LYS 243 Ca -0.06 0.74 -0.23 0.00 -1.56 0.00 0.00 55.97 54.86 3k8m s LYS 243 Cb 0.03 -0.01 -0.07 0.00 -1.46 0.00 0.00 37.83 36.31 3k8m s LYS 243 CO 0.36 -0.18 1.18 0.00 0.16 0.00 0.00 175.35 176.87 3k8m s ALA 244 N 1.59 2.96 0.65 3.13 0.00 -1.26 -4.79 121.76 124.04 3k8m s ALA 244 Ca -0.08 0.97 -0.04 0.00 0.00 0.00 0.00 51.96 52.81 3k8m s ALA 244 Cb -0.10 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.67 3k8m s ALA 244 CO -0.11 -0.72 0.93 -0.51 0.00 0.00 0.00 175.76 175.35 3k8m s ASP 245 N -1.32 5.00 0.23 0.00 1.01 0.67 -4.97 116.67 117.28 3k8m s ASP 245 Ca 0.64 0.30 0.01 0.00 0.71 0.00 0.00 52.55 54.21 3k8m s ASP 245 Cb -0.30 -1.04 -0.04 0.00 1.01 0.00 0.00 42.92 42.55 3k8m s ASP 245 CO 0.36 -1.42 0.41 -0.70 0.21 0.00 0.00 175.17 174.02 3k8m s GLU 246 N -5.07 3.50 -0.12 8.23 -6.30 -1.26 -4.91 118.70 112.76 3k8m s GLU 246 Ca 0.59 -0.42 -0.35 0.00 -2.50 0.00 0.00 54.97 52.28 3k8m s GLU 246 Cb -0.11 -2.82 -0.13 0.00 0.00 0.00 0.00 34.13 31.07 3k8m s GLU 246 CO 0.42 0.37 1.84 -0.25 0.02 0.00 0.00 175.26 177.66 3k8m n ASP 247 N -0.98 3.20 -4.49 -1.70 9.92 -1.26 -4.76 116.55 116.49 3k8m n ASP 247 Ca -0.06 1.00 -0.55 0.00 -0.53 0.00 0.00 54.79 54.66 3k8m n ASP 247 Cb 0.55 -1.32 -0.08 0.00 -0.64 0.00 0.00 41.12 39.63 3k8m n ASP 247 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3k8m n ASN 248 N 6.26 1.95 0.30 -2.24 2.85 -1.26 -4.79 115.26 118.32 3k8m n ASN 248 Ca 0.23 0.66 0.17 0.00 -0.11 0.00 0.00 54.58 55.53 3k8m n ASN 248 Cb 0.26 -1.16 0.92 0.00 1.24 0.00 0.00 39.78 41.04 3k8m n ASN 248 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3k8m h PRO 249 N 10.21 0.00 -6.24 1.20 0.13 -1.99 -3.39 132.00 131.91 3k8m h PRO 249 Ca -0.30 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.28 3k8m h PRO 249 Cb 1.34 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.38 3k8m h PRO 249 CO 1.02 0.04 0.95 0.34 -0.23 0.00 0.00 178.00 180.12 3k8m s ASP 250 N -5.80 6.22 -0.32 1.44 -1.08 -1.26 -4.89 116.67 110.98 3k8m s ASP 250 Ca -0.03 -0.43 0.02 0.00 -0.52 0.00 0.00 52.55 51.59 3k8m s ASP 250 Cb 0.13 -2.53 0.44 0.00 -1.46 0.00 0.00 42.92 39.50 3k8m s ASP 250 CO 0.52 -1.69 1.66 0.35 0.52 0.00 0.00 175.17 176.53 3k8m n THR 251 N 6.36 2.56 -2.39 1.71 -2.24 -1.26 -4.95 114.28 114.05 3k8m n THR 251 Ca 0.03 -1.38 -0.41 0.00 -2.27 0.00 0.00 64.05 60.02 3k8m n THR 251 Cb 0.48 -0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 67.98 3k8m n THR 251 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3k8m s GLY 252 N -0.57 2.87 0.26 3.38 0.00 -1.26 -4.93 107.32 107.08 3k8m s GLY 252 Ca 0.39 0.95 0.21 0.00 0.00 0.00 0.00 44.72 46.28 3k8m s GLY 252 CO 0.07 1.71 1.21 -0.91 0.00 0.00 0.00 173.10 175.18 3k8m h THR 253 N 3.43 0.11 -1.93 0.90 1.35 -1.98 -3.42 112.91 111.37 3k8m h THR 253 Ca -0.46 -1.19 -0.60 0.00 -0.55 0.00 0.00 66.41 63.62 3k8m h THR 253 Cb 1.21 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 3k8m h THR 253 CO 0.71 0.06 1.36 -0.90 -0.25 0.00 0.00 175.52 176.50 3k8m n ASP 254 N -2.86 3.31 -1.95 5.36 3.85 -1.26 -2.36 116.55 120.64 3k8m n ASP 254 Ca 0.00 0.51 -0.19 0.00 -0.71 0.00 0.00 54.79 54.41 3k8m n ASP 254 Cb 0.59 -1.47 -0.05 0.00 -1.35 0.00 0.00 41.12 38.84 3k8m n ASP 254 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3k8m n ASN 255 N 9.70 -5.15 -4.79 -1.12 3.02 -1.26 -4.95 115.26 110.71 3k8m n ASN 255 Ca 0.28 0.26 -0.36 0.00 -0.03 0.00 0.00 54.58 54.74 3k8m n ASN 255 Cb 0.38 -4.45 -0.06 0.00 -0.61 0.00 0.00 39.78 35.04 3k8m n ASN 255 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k8m s ALA 256 N -2.75 3.13 0.07 5.41 0.00 -0.99 -5.06 121.76 121.57 3k8m s ALA 256 Ca 0.00 0.52 0.07 0.00 0.00 0.00 0.00 51.96 52.56 3k8m s ALA 256 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 3k8m s ALA 256 CO 0.00 0.07 -0.15 0.15 0.00 0.00 0.00 175.76 175.83 3k8m s LYS 257 N -2.50 2.05 0.03 0.00 -0.14 -1.26 -4.46 119.74 113.46 3k8m s LYS 257 Ca 0.56 -1.02 0.03 0.00 -1.36 0.00 0.00 55.97 54.18 3k8m s LYS 257 Cb -0.16 -2.22 -0.02 0.00 -1.68 0.00 0.00 37.83 33.74 3k8m s LYS 257 CO 0.21 0.52 -0.10 0.71 -0.76 0.00 0.00 175.35 175.94 3k8m s TYR 258 N -1.06 0.83 -0.20 3.18 2.02 0.15 -1.28 117.35 121.00 3k8m s TYR 258 Ca 0.17 -0.35 -0.06 0.00 -0.37 0.00 0.00 57.07 56.46 3k8m s TYR 258 Cb -0.11 -0.50 -0.03 0.00 -0.40 0.00 0.00 41.96 40.92 3k8m s TYR 258 CO 0.09 -0.02 0.03 -1.17 -1.57 0.00 0.00 175.55 172.90 3k8m s LEU 259 N -1.09 3.42 -0.09 -1.29 2.96 -0.01 -0.30 118.68 122.28 3k8m s LEU 259 Ca -0.03 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.79 3k8m s LEU 259 Cb -0.07 -1.87 -0.00 0.00 0.50 0.00 0.00 46.19 44.74 3k8m s LEU 259 CO 0.01 0.08 -0.23 -0.47 -1.32 0.00 0.00 176.35 174.41 3k8m s TYR 260 N 0.93 2.54 0.06 5.38 5.04 0.22 -1.85 117.35 129.68 3k8m s TYR 260 Ca 0.02 -0.90 -0.27 0.00 -2.44 0.00 0.00 57.07 53.48 3k8m s TYR 260 Cb -0.14 -1.68 0.09 0.00 0.35 0.00 0.00 41.96 40.57 3k8m s TYR 260 CO 0.02 -0.33 0.97 1.52 -1.34 0.00 0.00 175.55 176.40 3k8m s TYR 261 N 0.16 -0.20 0.00 4.97 -0.85 -0.83 -0.48 117.35 120.12 3k8m s TYR 261 Ca -0.13 -0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.41 3k8m s TYR 261 Cb -0.16 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.76 3k8m s TYR 261 CO 0.07 -0.65 0.00 0.41 -1.52 0.00 0.00 175.55 173.86 3k8m n GLY 262 N -0.37 2.32 3.44 5.49 0.00 -1.26 -1.52 105.19 113.29 3k8m n GLY 262 Ca -0.07 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 3k8m n GLY 262 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k8m n GLU 263 N 9.73 3.15 -4.07 1.61 4.71 -1.26 -4.44 120.64 130.08 3k8m n GLU 263 Ca 0.00 -3.19 -0.29 0.00 -0.01 0.00 0.00 57.16 53.67 3k8m n GLU 263 Cb 0.00 -3.45 -0.03 0.00 -1.01 0.00 0.00 31.44 26.95 3k8m n GLU 263 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3k8m n ASP 264 N 7.94 -0.93 -4.72 1.62 -0.08 -1.25 -4.94 116.55 114.20 3k8m n ASP 264 Ca 0.49 -1.04 -0.38 0.00 -1.51 0.00 0.00 54.79 52.35 3k8m n ASP 264 Cb 0.45 -2.81 -0.06 0.00 2.34 0.00 0.00 41.12 41.04 3k8m n ASP 264 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3k8m s ILE 265 N -3.84 5.21 -0.16 5.18 -1.09 -0.57 -4.97 121.20 120.96 3k8m s ILE 265 Ca 0.19 0.88 -0.01 0.00 -2.23 0.00 0.00 60.65 59.48 3k8m s ILE 265 Cb -0.10 -3.78 0.04 0.00 -1.58 0.00 0.00 42.46 37.03 3k8m s ILE 265 CO 0.91 0.33 -0.03 0.00 -1.23 0.00 0.00 174.94 174.93 3k8m s LYS 267 N 1.73 2.07 0.11 0.00 -0.14 -0.77 -4.97 119.74 117.77 3k8m s LYS 267 Ca 0.01 -0.96 -0.20 0.00 -1.36 0.00 0.00 55.97 53.46 3k8m s LYS 267 Cb -0.15 -2.05 -0.07 0.00 -1.68 0.00 0.00 37.83 33.88 3k8m s LYS 267 CO -0.07 0.55 0.62 0.21 -0.76 0.00 0.00 175.35 175.90 3k8m s LYS 268 N -0.78 4.25 1.04 1.68 2.20 -1.26 -0.83 119.74 126.05 3k8m s LYS 268 Ca 0.11 0.81 -0.17 0.00 -0.36 0.00 0.00 55.97 56.36 3k8m s LYS 268 Cb -0.10 -3.17 0.22 0.00 -1.51 0.00 0.00 37.83 33.26 3k8m s LYS 268 CO -0.00 0.59 1.21 -0.06 -0.36 0.00 0.00 175.35 176.72 3k8m s PHE 269 N -1.20 1.35 -0.06 4.03 0.40 -0.40 -4.63 117.98 117.48 3k8m s PHE 269 Ca 0.33 0.49 0.03 0.00 -0.60 0.00 0.00 56.93 57.17 3k8m s PHE 269 Cb -0.19 -3.73 -0.03 0.00 0.51 0.00 0.00 43.02 39.58 3k8m s PHE 269 CO 0.21 -3.06 -0.13 0.71 0.70 0.00 0.00 175.22 173.64 3k8m s TYR 270 N -3.44 2.73 -0.36 0.36 1.51 0.46 -4.84 117.35 113.77 3k8m s TYR 270 Ca 0.71 -0.16 -0.19 0.00 -1.01 0.00 0.00 57.07 56.42 3k8m s TYR 270 Cb -0.08 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 3k8m s TYR 270 CO 0.54 0.19 0.58 0.34 -1.11 0.00 0.00 175.55 176.09 3k8m s ASP 271 N -0.69 6.37 0.00 2.29 -1.08 -1.26 -0.73 116.67 121.57 3k8m s ASP 271 Ca 0.10 0.02 0.23 0.00 -0.52 0.00 0.00 52.55 52.38 3k8m s ASP 271 Cb -0.11 -2.30 0.45 0.00 -1.46 0.00 0.00 42.92 39.50 3k8m s ASP 271 CO 0.01 -0.56 1.41 0.29 0.52 0.00 0.00 175.17 176.84 3k8m n LYS 272 N 5.92 2.34 0.00 4.34 4.76 -0.71 -5.01 118.16 129.80 3k8m n LYS 272 Ca -0.03 -2.01 0.00 0.00 -2.87 0.00 0.00 58.31 53.41 3k8m n LYS 272 Cb 0.49 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 3k8m n LYS 272 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k8m n GLY 273 N 1.42 -0.51 3.15 0.72 0.00 -1.25 -4.93 105.19 103.78 3k8m n GLY 273 Ca 0.18 -1.57 -0.19 0.00 0.00 0.00 0.00 46.02 44.44 3k8m n GLY 273 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k8m n ASN 274 N -0.97 -5.47 -1.58 1.61 5.03 -1.26 -3.06 115.26 109.55 3k8m n ASN 274 Ca 0.00 -0.42 -0.20 0.00 0.87 0.00 0.00 54.58 54.83 3k8m n ASN 274 Cb 0.00 -4.08 -0.08 0.00 -1.02 0.00 0.00 39.78 34.60 3k8m n ASN 274 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3k8m n ASN 275 N -2.06 -5.44 -4.46 6.41 3.02 -1.26 -4.73 115.26 106.74 3k8m n ASN 275 Ca 0.01 0.47 -0.34 0.00 -0.03 0.00 0.00 54.58 54.69 3k8m n ASN 275 Cb 0.55 -4.70 -0.13 0.00 -0.61 0.00 0.00 39.78 34.89 3k8m n ASN 275 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3k8m s ILE 276 N -2.76 3.75 0.04 2.41 1.01 -1.17 0.89 121.20 125.36 3k8m s ILE 276 Ca 0.00 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.34 3k8m s ILE 276 Cb 0.00 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 3k8m s ILE 276 CO 0.00 0.49 -0.26 -0.31 0.00 0.00 0.00 174.94 174.86 3k8m s TYR 277 N 0.50 2.34 0.01 3.97 2.02 0.88 -1.74 117.35 125.32 3k8m s TYR 277 Ca -0.04 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 3k8m s TYR 277 Cb -0.14 -1.41 -0.01 0.00 -0.40 0.00 0.00 41.96 40.00 3k8m s TYR 277 CO 0.03 0.11 -0.02 -1.21 -1.57 0.00 0.00 175.55 172.88 3k8m s GLU 278 N -1.16 0.21 -0.23 -0.62 2.02 0.09 0.37 118.70 119.37 3k8m s GLU 278 Ca 0.12 -0.26 -0.21 0.00 0.02 0.00 0.00 54.97 54.65 3k8m s GLU 278 Cb -0.10 -0.08 0.06 0.00 0.10 0.00 0.00 34.13 34.11 3k8m s GLU 278 CO 0.02 0.01 0.62 -1.17 0.02 0.00 0.00 175.26 174.76 3k8m s LEU 279 N -0.53 -0.40 -0.07 1.80 2.96 -0.74 -0.41 118.68 121.30 3k8m s LEU 279 Ca -0.04 1.25 0.01 0.00 -0.22 0.00 0.00 54.13 55.13 3k8m s LEU 279 Cb -0.04 2.11 0.02 0.00 0.50 0.00 0.00 46.19 48.78 3k8m s LEU 279 CO -0.00 -0.22 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.82 3k8m s THR 280 N 0.47 1.00 0.20 3.68 2.01 -1.26 -0.34 115.64 121.41 3k8m s THR 280 Ca -0.01 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.57 3k8m s THR 280 Cb -0.05 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 3k8m s THR 280 CO -0.01 0.34 0.24 0.68 -0.69 0.00 0.00 174.62 175.17 3k8m s VAL 281 N 0.96 0.01 -0.83 3.82 -7.23 -1.11 -0.24 120.40 115.78 3k8m s VAL 281 Ca -0.09 -1.76 -0.19 0.00 -1.81 0.00 0.00 61.98 58.13 3k8m s VAL 281 Cb -0.15 -2.31 0.12 0.00 0.56 0.00 0.00 36.38 34.61 3k8m s VAL 281 CO 0.00 -0.07 1.02 -0.62 -0.31 0.00 0.00 175.10 175.12 3k8m s ASP 282 N -3.09 6.51 0.35 4.85 -1.08 -1.26 -2.18 116.67 120.77 3k8m s ASP 282 Ca 0.31 -1.84 -0.28 0.00 -0.52 0.00 0.00 52.55 50.22 3k8m s ASP 282 Cb 0.04 -2.38 -0.09 0.00 -1.46 0.00 0.00 42.92 39.03 3k8m s ASP 282 CO 0.09 -1.10 1.24 0.12 0.52 0.00 0.00 175.17 176.04 3k8m s PHE 283 N 2.73 3.10 -0.30 -5.34 5.36 0.93 -4.84 117.98 119.62 3k8m s PHE 283 Ca 0.27 1.49 -0.03 0.00 -0.96 0.00 0.00 56.93 57.71 3k8m s PHE 283 Cb -0.10 -3.55 0.19 0.00 -0.34 0.00 0.00 43.02 39.23 3k8m s PHE 283 CO -0.04 -1.56 0.73 -2.00 -1.46 0.00 0.00 175.22 170.90 3k8m s GLU 284 N -1.93 0.45 -0.12 10.12 2.12 -1.24 -0.93 118.70 127.17 3k8m s GLU 284 Ca 0.51 0.67 -0.13 0.00 0.36 0.00 0.00 54.97 56.38 3k8m s GLU 284 Cb -0.36 0.35 0.03 0.00 0.26 0.00 0.00 34.13 34.42 3k8m s GLU 284 CO 0.47 -0.61 0.36 0.45 -0.54 0.00 0.00 175.26 175.39 3k8m s SER 285 N 2.88 -0.36 0.02 -1.70 0.15 -0.78 -4.33 113.70 109.59 3k8m s SER 285 Ca 0.14 0.65 0.15 0.00 0.70 0.00 0.00 55.95 57.60 3k8m s SER 285 Cb -0.11 0.69 -0.17 0.00 -1.71 0.00 0.00 66.02 64.72 3k8m s SER 285 CO -0.20 -0.18 0.76 0.41 1.20 0.00 0.00 173.24 175.23 3k8m n THR 286 N 2.64 1.33 0.64 6.45 -1.04 -1.26 -1.91 114.28 121.13 3k8m n THR 286 Ca -0.14 -0.73 0.10 0.00 -2.04 0.00 0.00 64.05 61.23 3k8m n THR 286 Cb 0.57 -0.84 -0.13 0.00 -1.82 0.00 0.00 70.33 68.12 3k8m n THR 286 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 3k8m n TRP 287 N -2.94 0.00 0.00 -1.42 4.27 -1.26 -4.61 117.44 111.48 3k8m n TRP 287 Ca -0.12 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.49 3k8m n TRP 287 Cb 0.92 -0.15 0.00 0.00 -1.36 0.00 0.00 31.31 30.72 3k8m n TRP 287 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3k8m n GLY 288 N 1.43 0.19 3.35 -1.67 0.00 -1.26 -4.75 105.19 102.48 3k8m n GLY 288 Ca 0.01 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 3k8m n GLY 288 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3k8m s LEU 289 N 0.00 0.95 0.05 0.99 0.05 0.17 -4.12 118.68 116.77 3k8m s LEU 289 Ca 0.00 -1.30 -0.04 0.00 0.05 0.00 0.00 54.13 52.84 3k8m s LEU 289 Cb 0.00 0.90 -0.02 0.00 -2.05 0.00 0.00 46.19 45.02 3k8m s LEU 289 CO 0.00 -0.99 0.05 -0.76 -0.55 0.00 0.00 176.35 174.10 3k8m s LEU 290 N -3.15 2.05 -0.10 1.48 1.43 0.37 -0.53 118.68 120.22 3k8m s LEU 290 Ca 0.34 -0.75 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 3k8m s LEU 290 Cb 0.04 0.48 -0.02 0.00 0.03 0.00 0.00 46.19 46.72 3k8m s LEU 290 CO 0.13 -0.57 -0.15 -0.63 0.23 0.00 0.00 176.35 175.36 3k8m s ILE 291 N -3.30 2.87 0.16 -0.59 -1.09 -0.52 -0.61 121.20 118.13 3k8m s ILE 291 Ca 0.01 -0.75 0.09 0.00 -2.23 0.00 0.00 60.65 57.77 3k8m s ILE 291 Cb 0.03 -2.17 -0.04 0.00 -1.58 0.00 0.00 42.46 38.70 3k8m s ILE 291 CO -0.08 0.55 -0.19 -0.13 -1.23 0.00 0.00 174.94 173.86 3k8m s ARG 292 N 0.04 1.29 -0.19 2.79 0.52 0.58 -0.20 118.95 123.78 3k8m s ARG 292 Ca -0.06 -1.41 0.15 0.00 -0.52 0.00 0.00 55.73 53.90 3k8m s ARG 292 Cb -0.15 -1.38 0.43 0.00 0.52 0.00 0.00 34.95 34.37 3k8m s ARG 292 CO 0.05 0.29 1.31 0.25 0.02 0.00 0.00 175.30 177.21 3k8m n THR 293 N 0.33 2.20 -3.51 0.02 -2.24 -1.08 0.34 114.28 110.35 3k8m n THR 293 Ca -0.13 -2.41 -0.14 0.00 -2.27 0.00 0.00 64.05 59.10 3k8m n THR 293 Cb 0.57 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.49 3k8m n THR 293 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3k8m s SER 294 N -2.58 -0.54 -0.04 3.42 0.15 -1.26 -4.78 113.70 108.06 3k8m s SER 294 Ca 0.39 0.43 0.06 0.00 0.70 0.00 0.00 55.95 57.52 3k8m s SER 294 Cb 0.34 0.48 0.09 0.00 -1.71 0.00 0.00 66.02 65.21 3k8m s SER 294 CO 0.03 -0.62 0.98 -0.46 1.20 0.00 0.00 173.24 174.37 3k8m n ASN 295 N 0.49 0.84 -4.71 5.45 6.94 -1.26 -4.88 115.26 118.12 3k8m n ASN 295 Ca -0.15 -2.19 -0.29 0.00 -0.02 0.00 0.00 54.58 51.92 3k8m n ASN 295 Cb 0.59 -0.23 0.15 0.00 -2.36 0.00 0.00 39.78 37.94 3k8m n ASN 295 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3k8m s ALA 296 N -0.92 1.35 0.16 -2.53 0.00 -1.26 -4.95 121.76 113.61 3k8m s ALA 296 Ca 0.09 -0.20 -0.14 0.00 0.00 0.00 0.00 51.96 51.72 3k8m s ALA 296 Cb 0.08 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 20.10 3k8m s ALA 296 CO 0.01 -2.52 1.75 0.77 0.00 0.00 0.00 175.76 175.78 3k8m h SER 297 N -1.66 0.67 -3.36 0.00 0.02 -2.07 -3.41 113.55 103.74 3k8m h SER 297 Ca -0.51 -0.12 -0.56 0.00 -0.84 0.00 0.00 61.79 59.76 3k8m h SER 297 Cb 1.30 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.62 3k8m h SER 297 CO 0.56 0.60 0.06 0.12 -1.14 0.00 0.00 176.83 177.02 3k8m s PHE 298 N -5.76 3.69 -0.48 3.45 5.36 -1.26 -5.03 117.98 117.96 3k8m s PHE 298 Ca -0.13 1.30 -0.19 0.00 -0.96 0.00 0.00 56.93 56.95 3k8m s PHE 298 Cb 0.12 -2.70 0.04 0.00 -0.34 0.00 0.00 43.02 40.14 3k8m s PHE 298 CO 0.76 0.30 0.59 -1.58 -1.46 0.00 0.00 175.22 173.83 3k8m s TRP 299 N -0.05 3.08 0.51 10.12 0.52 -1.26 -4.96 118.94 126.90 3k8m s TRP 299 Ca 0.34 -0.41 -0.21 0.00 0.02 0.00 0.00 56.10 55.84 3k8m s TRP 299 Cb -0.19 -3.37 -0.07 0.00 -1.15 0.00 0.00 33.47 28.70 3k8m s TRP 299 CO 0.19 -0.93 1.13 -2.14 0.02 0.00 0.00 176.95 175.22 3k8m s PRO 300 N 2.56 3.52 0.36 4.98 0.02 -1.26 -4.96 135.00 140.23 3k8m s PRO 300 Ca 0.16 1.65 -0.27 0.00 0.02 0.00 0.00 61.00 62.55 3k8m s PRO 300 Cb -0.18 -2.14 -0.12 0.00 0.02 0.00 0.00 34.50 32.08 3k8m s PRO 300 CO 0.14 -0.72 1.21 -1.13 -0.33 0.00 0.00 177.00 176.16 3k8m n SER 301 N -1.00 2.30 0.00 2.53 3.41 -1.26 -1.83 113.62 117.76 3k8m n SER 301 Ca 0.10 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 3k8m n SER 301 Cb 0.50 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 3k8m n SER 301 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k8m n GLY 302 N 0.90 0.98 0.07 5.00 0.00 -1.26 -4.87 105.19 106.01 3k8m n GLY 302 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 3k8m n GLY 302 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3k8m h THR 303 N 0.00 1.49 -3.37 2.61 2.02 -1.71 -3.45 112.91 110.50 3k8m h THR 303 Ca 0.00 -3.22 -0.60 0.00 0.77 0.00 0.00 66.41 63.36 3k8m h THR 303 Cb 0.00 2.76 -0.10 0.00 -1.74 0.00 0.00 68.15 69.07 3k8m h THR 303 CO 0.00 0.86 0.32 -0.75 0.37 0.00 0.00 175.52 176.32 3k8m s LYS 304 N -2.68 4.15 -0.21 6.66 2.20 -1.26 -2.62 119.74 125.99 3k8m s LYS 304 Ca -0.01 0.76 -0.03 0.00 -0.36 0.00 0.00 55.97 56.33 3k8m s LYS 304 Cb 0.09 -3.64 -0.00 0.00 -1.51 0.00 0.00 37.83 32.76 3k8m s LYS 304 CO 0.83 -0.46 -0.07 0.71 -0.36 0.00 0.00 175.35 175.99 3k8m s TYR 305 N 2.65 2.92 0.00 4.03 1.51 0.72 -4.47 117.35 124.70 3k8m s TYR 305 Ca 0.31 -1.01 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 3k8m s TYR 305 Cb -0.15 -2.05 0.00 0.00 -0.11 0.00 0.00 41.96 39.64 3k8m s TYR 305 CO 0.08 -0.55 0.00 0.41 -1.11 0.00 0.00 175.55 174.38 3k8m n GLY 306 N 4.64 4.82 3.84 0.71 0.00 -0.11 -1.44 105.19 117.66 3k8m n GLY 306 Ca -0.19 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 3k8m n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8m s ALA 307 N -1.73 3.57 0.38 4.61 0.00 -0.73 0.57 121.76 128.42 3k8m s ALA 307 Ca 0.00 -0.11 0.18 0.00 0.00 0.00 0.00 51.96 52.03 3k8m s ALA 307 Cb 0.00 -2.54 0.98 0.00 0.00 0.00 0.00 23.12 21.55 3k8m s ALA 307 CO 0.00 0.45 1.92 0.66 0.00 0.00 0.00 175.76 178.79 3k8m h SER 308 N 3.53 0.00 -4.63 0.00 4.64 -1.89 -1.61 113.55 113.59 3k8m h SER 308 Ca -0.48 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.69 3k8m h SER 308 Cb 1.19 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.06 3k8m h SER 308 CO 0.66 0.26 -0.42 -0.55 -0.87 0.00 0.00 176.83 175.91 3k8m s SER 309 N -6.69 -0.11 0.07 4.97 0.15 -1.26 -4.81 113.70 106.03 3k8m s SER 309 Ca -0.03 0.07 0.14 0.00 0.70 0.00 0.00 55.95 56.83 3k8m s SER 309 Cb 0.14 0.31 0.60 0.00 -1.71 0.00 0.00 66.02 65.36 3k8m s SER 309 CO 0.68 -0.30 1.43 -1.54 1.20 0.00 0.00 173.24 174.70 3k8m n SER 310 N 1.85 0.17 0.06 5.45 3.41 -1.26 -0.85 113.62 122.45 3k8m n SER 310 Ca -0.19 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.10 3k8m n SER 310 Cb 0.56 -0.58 0.45 0.00 -0.26 0.00 0.00 64.21 64.38 3k8m n SER 310 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3k8m n SER 311 N -1.70 0.50 -4.50 4.04 3.41 -1.26 -4.61 113.62 109.50 3k8m n SER 311 Ca 0.02 0.45 -0.43 0.00 -0.26 0.00 0.00 58.87 58.65 3k8m n SER 311 Cb 0.14 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.52 3k8m n SER 311 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3k8m s GLU 312 N -3.07 3.28 0.22 4.33 0.41 -0.03 -5.02 118.70 118.81 3k8m s GLU 312 Ca 0.11 -0.41 0.05 0.00 -0.41 0.00 0.00 54.97 54.32 3k8m s GLU 312 Cb 0.15 -4.09 -0.03 0.00 -1.78 0.00 0.00 34.13 28.38 3k8m s GLU 312 CO 0.59 -1.53 0.29 0.15 -0.49 0.00 0.00 175.26 174.27 3k8m s LYS 313 N 3.89 3.28 -0.20 1.61 -0.14 -1.26 -4.89 119.74 122.03 3k8m s LYS 313 Ca 0.28 -0.80 -0.18 0.00 -1.36 0.00 0.00 55.97 53.92 3k8m s LYS 313 Cb -0.14 -2.82 -0.03 0.00 -1.68 0.00 0.00 37.83 33.16 3k8m s LYS 313 CO 0.17 0.45 0.48 -1.17 -0.76 0.00 0.00 175.35 174.52 3k8m s LEU 314 N -3.72 4.14 0.05 3.17 2.96 -1.26 -4.80 118.68 119.22 3k8m s LEU 314 Ca 0.34 0.61 0.08 0.00 -0.22 0.00 0.00 54.13 54.94 3k8m s LEU 314 Cb -0.09 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.92 3k8m s LEU 314 CO 0.28 -0.16 -0.22 0.00 -1.32 0.00 0.00 176.35 174.93 3k8m s ALA 315 N 1.59 2.44 0.40 5.97 0.00 -1.26 -0.95 121.76 129.95 3k8m s ALA 315 Ca 0.22 -1.24 -0.27 0.00 0.00 0.00 0.00 51.96 50.67 3k8m s ALA 315 Cb -0.15 -0.60 -0.10 0.00 0.00 0.00 0.00 23.12 22.26 3k8m s ALA 315 CO 0.09 0.55 1.47 -0.51 0.00 0.00 0.00 175.76 177.36 3k8m s LEU 316 N -1.39 4.24 -1.49 0.00 1.43 -1.26 -2.87 118.68 117.34 3k8m s LEU 316 Ca 0.13 3.01 -0.12 0.00 -1.03 0.00 0.00 54.13 56.13 3k8m s LEU 316 Cb -0.10 -3.77 0.07 0.00 0.03 0.00 0.00 46.19 42.43 3k8m s LEU 316 CO 0.04 -0.99 0.86 0.59 0.23 0.00 0.00 176.35 177.08 3k8m n ASN 317 N 0.21 -4.83 -3.72 2.29 3.02 0.65 -4.97 115.26 107.91 3k8m n ASN 317 Ca 0.02 -0.65 -0.24 0.00 -0.03 0.00 0.00 54.58 53.69 3k8m n ASN 317 Cb 0.40 -3.88 -0.17 0.00 -0.61 0.00 0.00 39.78 35.52 3k8m n ASN 317 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3k8m s LYS 318 N -6.41 0.45 -0.13 3.52 2.47 -1.14 -5.04 119.74 113.46 3k8m s LYS 318 Ca 0.58 -0.02 -0.40 0.00 -1.56 0.00 0.00 55.97 54.57 3k8m s LYS 318 Cb -0.29 -1.34 -0.17 0.00 -1.46 0.00 0.00 37.83 34.57 3k8m s LYS 318 CO 0.71 -0.45 1.50 -0.25 0.16 0.00 0.00 175.35 177.02 3k8m n ASP 319 N 5.16 1.71 -4.32 1.43 8.00 -1.26 -4.68 116.55 122.59 3k8m n ASP 319 Ca -0.07 1.11 -0.35 0.00 0.71 0.00 0.00 54.79 56.19 3k8m n ASP 319 Cb 0.49 -1.11 -0.14 0.00 -0.02 0.00 0.00 41.12 40.34 3k8m n ASP 319 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3k8m s PHE 320 N 1.91 2.95 -0.59 1.24 5.36 0.93 -4.94 117.98 124.83 3k8m s PHE 320 Ca 0.93 -0.89 -0.28 0.00 -0.96 0.00 0.00 56.93 55.73 3k8m s PHE 320 Cb -1.09 -2.09 0.03 0.00 -0.34 0.00 0.00 43.02 39.53 3k8m s PHE 320 CO 0.59 -0.51 1.19 0.15 -1.46 0.00 0.00 175.22 175.19 3k8m s LYS 321 N 1.37 3.48 0.20 10.12 3.01 -1.26 -0.77 119.74 135.88 3k8m s LYS 321 Ca 0.04 0.18 -0.30 0.00 -1.01 0.00 0.00 55.97 54.88 3k8m s LYS 321 Cb -0.14 -4.03 -0.08 0.00 -1.01 0.00 0.00 37.83 32.56 3k8m s LYS 321 CO -0.03 -1.72 0.96 -0.51 0.51 0.00 0.00 175.35 174.56 3k8m s LEU 322 N 4.99 4.60 0.17 3.17 1.43 -0.70 -4.64 118.68 127.69 3k8m s LEU 322 Ca 0.42 1.92 0.08 0.00 -1.03 0.00 0.00 54.13 55.51 3k8m s LEU 322 Cb -0.08 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 3k8m s LEU 322 CO 0.24 0.07 -0.05 -0.89 0.23 0.00 0.00 176.35 175.95 3k8m s THR 323 N -0.80 3.46 -0.01 5.49 2.01 0.19 -4.11 115.64 121.87 3k8m s THR 323 Ca 0.43 -1.49 0.03 0.00 0.31 0.00 0.00 61.69 60.97 3k8m s THR 323 Cb -0.25 -2.71 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 3k8m s THR 323 CO 0.32 -0.08 0.04 -3.20 -0.69 0.00 0.00 174.62 171.01 3k8m n ASN 324 N 0.07 4.37 -4.66 3.53 5.15 -1.26 -0.94 115.26 121.53 3k8m n ASN 324 Ca -0.11 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.47 3k8m n ASN 324 Cb 0.55 0.93 0.02 0.00 -0.53 0.00 0.00 39.78 40.75 3k8m n ASN 324 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k8m n ALA 325 N -1.77 0.80 -0.28 5.20 0.00 -1.26 -4.67 120.51 118.52 3k8m n ALA 325 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3k8m n ALA 325 Cb 0.25 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.51 3k8m n ALA 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k8m n GLY 326 N 1.00 2.80 2.91 0.00 0.00 -1.26 -3.45 105.19 107.20 3k8m n GLY 326 Ca 0.09 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3k8m n GLY 326 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k8m s ASN 327 N -4.00 4.25 0.32 1.61 2.47 -1.26 -4.87 114.94 113.47 3k8m s ASN 327 Ca 0.00 -2.78 -0.27 0.00 0.42 0.00 0.00 52.86 50.23 3k8m s ASN 327 Cb 0.00 -1.51 -0.13 0.00 -1.45 0.00 0.00 41.25 38.16 3k8m s ASN 327 CO 0.00 -0.27 1.03 -2.65 -3.72 0.00 0.00 177.10 171.50 3k8m n PRO 328 N 3.41 1.44 -1.63 0.43 -0.02 -1.22 -4.98 135.00 132.43 3k8m n PRO 328 Ca 0.05 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.73 3k8m n PRO 328 Cb 0.34 -1.94 0.05 0.00 -0.02 0.00 0.00 33.50 31.94 3k8m n PRO 328 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k8m s ALA 329 N -1.11 2.67 0.66 3.55 0.00 -0.61 -4.78 121.76 122.14 3k8m s ALA 329 Ca 0.59 -0.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 3k8m s ALA 329 Cb -0.65 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.33 3k8m s ALA 329 CO 0.60 -1.24 1.18 -0.80 0.00 0.00 0.00 175.76 175.50 3k8m s ASN 330 N -3.91 4.81 0.28 0.00 0.01 -1.26 -1.77 114.94 113.09 3k8m s ASN 330 Ca 0.58 2.25 0.01 0.00 -0.71 0.00 0.00 52.86 55.00 3k8m s ASN 330 Cb -0.13 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 3k8m s ASN 330 CO 0.54 -1.85 0.46 -0.63 -1.51 0.00 0.00 177.10 174.12 3k8m s ILE 331 N -1.97 5.17 0.31 0.60 1.01 0.31 -4.48 121.20 122.15 3k8m s ILE 331 Ca 0.73 -0.54 0.10 0.00 0.00 0.00 0.00 60.65 60.94 3k8m s ILE 331 Cb -0.27 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 3k8m s ILE 331 CO 0.40 -0.39 -0.08 -0.36 0.00 0.00 0.00 174.94 174.50 3k8m s PHE 333 N -2.11 2.45 0.42 3.97 0.08 -1.26 0.44 117.98 121.96 3k8m s PHE 333 Ca 0.38 -0.40 0.19 0.00 0.12 0.00 0.00 56.93 57.23 3k8m s PHE 333 Cb -0.10 -1.27 1.13 0.00 -0.57 0.00 0.00 43.02 42.21 3k8m s PHE 333 CO 0.32 0.60 1.99 0.38 -0.10 0.00 0.00 175.22 178.41 3k8m h ASP 334 N 2.02 0.00 0.63 1.36 3.04 -1.35 -2.21 116.42 119.91 3k8m h ASP 334 Ca -0.42 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.35 3k8m h ASP 334 Cb 1.25 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.54 3k8m h ASP 334 CO 0.65 0.19 -0.08 0.77 -2.04 0.00 0.00 179.24 178.73 3k8m h SER 335 N 0.00 0.00 -3.09 4.15 4.64 -1.98 -3.39 113.55 113.88 3k8m h SER 335 Ca -0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 3k8m h SER 335 Cb 0.39 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.36 3k8m h SER 335 CO 0.02 0.08 0.59 -1.10 -0.87 0.00 0.00 176.83 175.56 3k8m s GLN 336 N -3.91 3.30 0.00 4.77 -0.21 -0.83 -4.67 119.66 118.11 3k8m s GLN 336 Ca -0.01 -0.33 -0.02 0.00 0.02 0.00 0.00 55.36 55.02 3k8m s GLN 336 Cb 0.11 -4.08 -0.01 0.00 1.00 0.00 0.00 33.01 30.03 3k8m s GLN 336 CO 0.55 -1.56 0.02 -0.65 -2.12 0.00 0.00 175.29 171.53 3k8m s GLN 337 N 4.06 0.20 0.56 2.91 -1.52 -1.26 -4.82 119.66 119.79 3k8m s GLN 337 Ca 0.30 -0.27 -0.20 0.00 -1.95 0.00 0.00 55.36 53.24 3k8m s GLN 337 Cb -0.13 0.08 -0.05 0.00 -0.22 0.00 0.00 33.01 32.69 3k8m s GLN 337 CO 0.18 -0.04 1.21 0.42 -0.25 0.00 0.00 175.29 176.81 3k8m s ILE 338 N -0.74 2.68 -0.12 1.08 1.01 -1.26 -4.68 121.20 119.17 3k8m s ILE 338 Ca -0.08 0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.98 3k8m s ILE 338 Cb -0.05 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 3k8m s ILE 338 CO -0.00 -0.07 0.01 -0.89 0.00 0.00 0.00 174.94 173.99 3k8m s THR 339 N -1.57 4.36 0.27 2.92 2.01 -1.26 -4.43 115.64 117.95 3k8m s THR 339 Ca 0.74 -0.21 0.09 0.00 0.31 0.00 0.00 61.69 62.62 3k8m s THR 339 Cb -0.31 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 3k8m s THR 339 CO 0.34 0.56 0.03 -0.31 -0.69 0.00 0.00 174.62 174.55 3k8m s TYR 340 N -0.39 2.74 0.03 4.92 2.02 0.21 -0.28 117.35 126.60 3k8m s TYR 340 Ca 0.08 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.58 3k8m s TYR 340 Cb -0.12 -1.26 -0.02 0.00 -0.40 0.00 0.00 41.96 40.16 3k8m s TYR 340 CO 0.02 0.58 -0.09 -0.59 -1.57 0.00 0.00 175.55 173.90 3k8m s PHE 341 N -2.32 0.82 0.14 2.71 -0.12 0.18 -0.92 117.98 118.47 3k8m s PHE 341 Ca 0.32 -0.34 -0.27 0.00 -0.05 0.00 0.00 56.93 56.59 3k8m s PHE 341 Cb -0.06 -0.50 -0.07 0.00 -0.63 0.00 0.00 43.02 41.76 3k8m s PHE 341 CO 0.21 -0.02 0.84 -1.58 -0.05 0.00 0.00 175.22 174.62 3k8m s HIS 342 N -0.86 3.86 -0.30 3.49 5.65 -0.41 -2.30 115.29 124.42 3k8m s HIS 342 Ca -0.03 1.69 0.00 0.00 0.25 0.00 0.00 55.06 56.97 3k8m s HIS 342 Cb -0.07 -2.88 0.14 0.00 -1.18 0.00 0.00 32.58 28.59 3k8m s HIS 342 CO 0.01 0.38 0.31 0.45 -0.65 0.00 0.00 174.74 175.24 3k8m s SER 343 N -0.66 1.62 0.30 9.88 0.15 -0.30 -1.12 113.70 123.56 3k8m s SER 343 Ca 0.40 -0.92 0.05 0.00 0.70 0.00 0.00 55.95 56.18 3k8m s SER 343 Cb -0.23 0.50 0.70 0.00 -1.71 0.00 0.00 66.02 65.28 3k8m s SER 343 CO 0.27 -0.37 1.79 -0.74 1.20 0.00 0.00 173.24 175.40 3k8m h HIS 344 N 8.04 1.08 0.00 3.44 2.76 -1.93 -1.09 115.15 127.46 3k8m h HIS 344 Ca -0.10 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 3k8m h HIS 344 Cb 1.07 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.70 3k8m h HIS 344 CO 0.29 0.29 0.00 1.19 -1.30 0.00 0.00 177.93 178.39 3k8m n PHE 345 N -4.73 0.00 -3.78 5.26 3.72 -1.26 -4.91 117.46 111.76 3k8m n PHE 345 Ca 0.22 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.38 3k8m n PHE 345 Cb 0.52 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.09 3k8m n PHE 345 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k8m s THR 347 N -3.52 -0.24 -1.77 0.00 -1.32 -1.26 -5.01 115.64 102.52 3k8m s THR 347 Ca 0.28 0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.92 3k8m s THR 347 Cb -0.14 -0.53 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 3k8m s THR 347 CO 0.82 0.07 0.41 -0.90 -2.21 0.00 0.00 174.62 172.80 3k8m n ASP 348 N 4.72 0.11 0.08 8.08 5.68 -1.26 -1.47 116.55 132.49 3k8m n ASP 348 Ca -0.17 -0.92 0.12 0.00 -0.50 0.00 0.00 54.79 53.32 3k8m n ASP 348 Cb 0.52 -0.05 0.17 0.00 -1.14 0.00 0.00 41.12 40.62 3k8m n ASP 348 CO 0.00 0.00 0.00 -0.50 -1.33 0.00 0.00 177.20 175.37 3k8m h TRP 349 N 0.13 0.00 -3.13 2.11 4.06 -1.96 -3.42 115.95 113.74 3k8m h TRP 349 Ca 0.00 0.00 -0.65 0.00 2.06 0.00 0.00 58.89 60.30 3k8m h TRP 349 Cb 0.05 0.00 -0.18 0.00 -1.00 0.00 0.00 29.16 28.03 3k8m h TRP 349 CO 0.00 0.00 -0.81 -0.06 -3.56 0.00 0.00 178.44 174.01 3k8m s PHE 350 N -3.19 2.34 -0.08 0.49 0.08 -0.54 -1.33 117.98 115.75 3k8m s PHE 350 Ca 0.06 -0.34 -0.02 0.00 0.12 0.00 0.00 56.93 56.75 3k8m s PHE 350 Cb 0.12 -1.15 0.03 0.00 -0.57 0.00 0.00 43.02 41.45 3k8m s PHE 350 CO 0.71 0.51 0.01 0.00 -0.10 0.00 0.00 175.22 176.36 3k8m s ALA 351 N -1.71 0.69 0.09 5.36 0.00 -0.47 -4.70 121.76 121.02 3k8m s ALA 351 Ca 0.22 -0.16 -0.31 0.00 0.00 0.00 0.00 51.96 51.71 3k8m s ALA 351 Cb -0.08 -0.78 -0.07 0.00 0.00 0.00 0.00 23.12 22.18 3k8m s ALA 351 CO 0.11 -0.54 1.41 -0.51 0.00 0.00 0.00 175.76 176.23 3k8m s ASP 352 N 1.98 6.81 0.61 0.00 1.11 -0.28 -2.20 116.67 124.70 3k8m s ASP 352 Ca 0.04 2.29 -0.17 0.00 0.18 0.00 0.00 52.55 54.90 3k8m s ASP 352 Cb -0.13 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.26 3k8m s ASP 352 CO -0.05 -0.69 1.13 -0.76 1.18 0.00 0.00 175.17 175.98 3k8m s LEU 353 N 1.51 3.55 -0.14 1.23 1.43 -0.45 -3.79 118.68 122.02 3k8m s LEU 353 Ca 0.65 2.13 0.02 0.00 -1.03 0.00 0.00 54.13 55.91 3k8m s LEU 353 Cb -0.36 -4.57 0.01 0.00 0.03 0.00 0.00 46.19 41.30 3k8m s LEU 353 CO 0.30 -1.51 -0.21 0.21 0.23 0.00 0.00 176.35 175.37 3k8m s ASN 354 N -2.12 3.21 0.00 2.29 2.47 0.30 -4.85 114.94 116.24 3k8m s ASN 354 Ca 0.71 -0.58 0.09 0.00 0.42 0.00 0.00 52.86 53.50 3k8m s ASN 354 Cb -0.23 -1.46 0.02 0.00 -1.45 0.00 0.00 41.25 38.12 3k8m s ASN 354 CO 0.35 0.09 0.63 -1.22 -3.72 0.00 0.00 177.10 173.23 3k8m n TYR 355 N 4.02 0.00 -0.15 0.43 4.01 -1.26 -4.58 117.16 119.62 3k8m n TYR 355 Ca -0.20 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.56 3k8m n TYR 355 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.54 3k8m n TYR 355 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k8m n GLY 356 N 0.74 -1.35 3.59 2.72 0.00 -1.26 -4.03 105.19 105.60 3k8m n GLY 356 Ca 0.04 -1.50 -0.50 0.00 0.00 0.00 0.00 46.02 44.06 3k8m n GLY 356 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3k8m n PRO 357 N -1.37 1.18 -0.34 1.61 -0.02 -1.26 -4.62 135.00 130.18 3k8m n PRO 357 Ca 0.00 0.42 0.23 0.00 -2.02 0.00 0.00 63.50 62.13 3k8m n PRO 357 Cb 0.07 -1.99 0.46 0.00 -0.02 0.00 0.00 33.50 32.02 3k8m n PRO 357 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3k8m h VAL 358 N 2.99 0.34 0.00 -1.45 3.04 -1.92 0.29 116.25 119.55 3k8m h VAL 358 Ca -0.45 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.11 3k8m h VAL 358 Cb 1.34 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 3k8m h VAL 358 CO 0.74 0.07 0.00 0.47 -1.01 0.00 0.00 177.57 177.84 3k8m n ASP 359 N -5.01 0.00 0.00 3.17 8.00 -1.26 -2.38 116.55 119.07 3k8m n ASP 359 Ca 0.31 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.78 3k8m n ASP 359 Cb 0.95 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 3k8m n ASP 359 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k8m n GLN 360 N -0.68 -0.21 -0.31 -1.24 3.00 0.97 -4.87 117.38 114.04 3k8m n GLN 360 Ca 0.05 -0.13 0.18 0.00 -0.01 0.00 0.00 57.00 57.09 3k8m n GLN 360 Cb 0.02 -0.62 0.44 0.00 0.00 0.00 0.00 30.24 30.09 3k8m n GLN 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3k8m h ALA 361 N 0.00 2.02 -0.11 -1.58 0.00 -1.04 0.16 119.26 118.72 3k8m h ALA 361 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3k8m h ALA 361 Cb 0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3k8m h ALA 361 CO 0.00 -0.39 0.22 0.78 0.00 0.00 0.00 179.25 179.87 3k8m h GLY 362 N 0.53 0.00 0.36 0.00 0.00 -1.88 -1.34 103.07 100.74 3k8m h GLY 362 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3k8m h GLY 362 CO -0.30 0.00 -1.50 1.18 0.00 0.00 0.00 176.54 175.92 3k8m n GLU 363 N -3.35 0.53 -1.76 4.80 -0.58 0.04 -4.73 120.64 115.59 3k8m n GLU 363 Ca 0.00 -0.07 -0.41 0.00 -0.42 0.00 0.00 57.16 56.26 3k8m n GLU 363 Cb 0.32 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 3k8m n GLU 363 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3k8m n SER 364 N -2.26 3.47 -0.15 1.62 3.41 -0.50 -4.87 113.62 114.33 3k8m n SER 364 Ca -0.01 1.20 -0.02 0.00 -0.26 0.00 0.00 58.87 59.77 3k8m n SER 364 Cb 0.52 -1.59 0.20 0.00 -0.26 0.00 0.00 64.21 63.08 3k8m n SER 364 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3k8m h PRO 365 N 2.71 0.86 -0.26 4.33 0.13 -1.91 -2.08 132.00 135.78 3k8m h PRO 365 Ca -0.50 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 64.48 3k8m h PRO 365 Cb 1.26 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3k8m h PRO 365 CO 0.63 0.74 0.16 0.00 -0.23 0.00 0.00 178.00 179.30 3k8m h ALA 366 N 1.37 0.33 -0.88 -0.56 0.00 -1.88 -0.88 119.26 116.76 3k8m h ALA 366 Ca 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3k8m h ALA 366 Cb 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3k8m h ALA 366 CO -0.01 -0.17 0.46 -0.92 0.00 0.00 0.00 179.25 178.61 3k8m h TYR 367 N 0.34 1.24 0.00 0.00 3.20 -1.76 -0.81 116.97 119.17 3k8m h TYR 367 Ca 0.09 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 3k8m h TYR 367 Cb 0.00 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 37.87 3k8m h TYR 367 CO -0.05 0.87 -0.43 1.96 -1.64 0.00 0.00 178.16 178.87 3k8m h GLN 368 N 1.25 0.00 0.00 1.82 4.20 -1.05 -0.11 115.11 121.22 3k8m h GLN 368 Ca 0.31 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.88 3k8m h GLN 368 Cb 0.07 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.86 3k8m h GLN 368 CO -0.04 0.43 -0.52 0.00 -0.67 0.00 0.00 178.83 178.02 3k8m h ALA 369 N 1.57 0.06 0.00 3.87 0.00 -0.71 -2.33 119.26 121.72 3k8m h ALA 369 Ca -0.00 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 3k8m h ALA 369 Cb 0.85 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3k8m h ALA 369 CO 0.06 0.29 -0.65 0.97 0.00 0.00 0.00 179.25 179.91 3k8m h ILE 370 N -0.21 1.39 0.00 0.00 2.10 -1.11 -2.31 117.51 117.38 3k8m h ILE 370 Ca -0.07 -2.31 -0.08 0.00 1.08 0.00 0.00 64.86 63.49 3k8m h ILE 370 Cb 1.25 2.27 -0.01 0.00 -1.09 0.00 0.00 36.82 39.24 3k8m h ILE 370 CO 0.10 0.64 -0.40 0.00 -1.08 0.00 0.00 178.15 177.42 3k8m h ALA 371 N 1.35 0.76 0.10 0.18 0.00 -1.09 -2.74 119.26 117.81 3k8m h ALA 371 Ca -0.01 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 3k8m h ALA 371 Cb 1.22 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.98 3k8m h ALA 371 CO 0.09 0.46 -0.84 0.22 0.00 0.00 0.00 179.25 179.17 3k8m h ASP 372 N 0.00 0.56 -0.66 0.00 3.58 -1.29 -2.57 116.42 116.05 3k8m h ASP 372 Ca -0.01 -0.88 -0.01 0.00 0.42 0.00 0.00 57.03 56.56 3k8m h ASP 372 Cb 1.29 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 42.12 3k8m h ASP 372 CO 0.05 1.39 0.39 0.00 -2.88 0.00 0.00 179.24 178.19 3k8m h ALA 373 N 0.18 1.43 0.33 -0.78 0.00 -1.46 -1.77 119.26 117.19 3k8m h ALA 373 Ca -0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3k8m h ALA 373 Cb 1.61 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3k8m h ALA 373 CO 0.16 0.48 -0.22 0.00 0.00 0.00 0.00 179.25 179.67 3k8m h ALA 374 N 1.51 -0.53 -0.52 0.00 0.00 -1.48 -1.17 119.26 117.07 3k8m h ALA 374 Ca 0.24 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.20 3k8m h ALA 374 Cb -0.02 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3k8m h ALA 374 CO -0.04 -0.81 0.44 0.87 0.00 0.00 0.00 179.25 179.71 3k8m h LYS 375 N -0.54 0.00 -0.52 0.00 1.57 -0.98 0.22 116.57 116.31 3k8m h LYS 375 Ca -0.03 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 3k8m h LYS 375 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3k8m h LYS 375 CO 0.02 0.00 -0.14 0.78 -0.57 0.00 0.00 179.45 179.54 3k8m h GLY 376 N 0.00 1.10 1.96 3.86 0.00 -0.38 -1.72 103.07 107.90 3k8m h GLY 376 Ca 0.25 -0.91 -0.14 0.00 0.00 0.00 0.00 47.33 46.53 3k8m h GLY 376 CO -0.00 0.83 -0.64 1.49 0.00 0.00 0.00 176.54 178.22 3k8m h TRP 377 N 0.89 0.05 -0.37 5.60 4.06 -0.22 -2.76 115.95 123.20 3k8m h TRP 377 Ca 0.13 -0.02 -0.05 0.00 2.06 0.00 0.00 58.89 61.01 3k8m h TRP 377 Cb 0.71 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.85 3k8m h TRP 377 CO 0.05 0.66 0.03 0.82 -3.56 0.00 0.00 178.44 176.44 3k8m h ILE 378 N 0.03 1.25 0.00 1.49 2.04 -1.16 -1.39 117.51 119.76 3k8m h ILE 378 Ca -0.01 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3k8m h ILE 378 Cb 1.14 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 3k8m h ILE 378 CO 0.09 0.31 0.00 0.00 0.00 0.00 0.00 178.15 178.54 3k8m h ALA 379 N 0.89 1.00 -0.56 1.87 0.00 -1.16 -0.14 119.26 121.16 3k8m h ALA 379 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3k8m h ALA 379 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3k8m h ALA 379 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.80 3k8m n ARG 380 N -2.69 2.35 0.00 0.00 1.74 -0.57 -4.94 116.66 112.55 3k8m n ARG 380 Ca -0.02 -2.09 0.00 0.00 -0.77 0.00 0.00 57.85 54.98 3k8m n ARG 380 Cb 0.10 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3k8m n ARG 380 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k8m n GLY 381 N 1.43 1.97 3.62 -0.13 0.00 -0.06 -4.97 105.19 107.05 3k8m n GLY 381 Ca 0.20 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.73 3k8m n GLY 381 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k8m n VAL 382 N -1.49 0.59 1.01 1.61 0.31 -0.90 -4.82 118.33 114.64 3k8m n VAL 382 Ca 0.00 -0.15 0.11 0.00 -0.01 0.00 0.00 64.34 64.29 3k8m n VAL 382 Cb 0.00 -1.10 0.03 0.00 -0.91 0.00 0.00 33.84 31.86 3k8m n VAL 382 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3k8m n ASP 383 N 2.36 0.92 0.00 4.52 8.00 -0.13 -4.62 116.55 127.60 3k8m n ASP 383 Ca 0.15 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.86 3k8m n ASP 383 Cb 0.26 0.68 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 3k8m n ASP 383 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k8m n GLY 384 N 1.49 0.82 3.34 0.44 0.00 -1.18 -2.86 105.19 107.24 3k8m n GLY 384 Ca 0.05 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 3k8m n GLY 384 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k8m s LEU 385 N 0.00 2.40 -0.21 0.99 1.43 -0.55 -0.81 118.68 121.93 3k8m s LEU 385 Ca 0.00 -0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 52.28 3k8m s LEU 385 Cb 0.00 -0.91 0.02 0.00 0.03 0.00 0.00 46.19 45.32 3k8m s LEU 385 CO 0.00 0.02 -0.13 -0.60 0.23 0.00 0.00 176.35 175.88 3k8m s ARG 386 N -2.53 2.98 -0.13 1.70 3.00 -0.36 -1.33 118.95 122.28 3k8m s ARG 386 Ca 0.14 -0.86 -0.15 0.00 -1.00 0.00 0.00 55.73 53.86 3k8m s ARG 386 Cb -0.07 -2.79 -0.05 0.00 0.00 0.00 0.00 34.95 32.04 3k8m s ARG 386 CO 0.07 -0.28 0.35 -0.51 0.00 0.00 0.00 175.30 174.92 3k8m s LEU 387 N 1.33 4.28 0.23 -0.88 1.43 0.07 -1.44 118.68 123.69 3k8m s LEU 387 Ca 0.03 0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 53.66 3k8m s LEU 387 Cb -0.15 -2.47 -0.07 0.00 0.03 0.00 0.00 46.19 43.53 3k8m s LEU 387 CO -0.08 0.11 0.56 -0.62 0.23 0.00 0.00 176.35 176.54 3k8m s ASP 388 N 0.31 6.64 -1.34 2.29 -1.08 -1.25 -1.83 116.67 120.40 3k8m s ASP 388 Ca 0.20 0.94 -0.15 0.00 -0.52 0.00 0.00 52.55 53.01 3k8m s ASP 388 Cb -0.14 -2.23 0.02 0.00 -1.46 0.00 0.00 42.92 39.11 3k8m s ASP 388 CO 0.06 -0.08 0.29 0.00 0.52 0.00 0.00 175.17 175.97 3k8m n ALA 389 N -0.14 -2.23 0.40 3.66 0.00 -1.24 -4.67 120.51 116.29 3k8m n ALA 389 Ca 0.01 -0.48 0.13 0.00 0.00 0.00 0.00 53.44 53.09 3k8m n ALA 389 Cb 0.52 -1.52 0.51 0.00 0.00 0.00 0.00 19.45 18.96 3k8m n ALA 389 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3k8m h VAL 390 N -2.02 0.00 -0.13 0.00 -1.51 -1.76 -2.06 116.25 108.76 3k8m h VAL 390 Ca -0.66 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 64.53 3k8m h VAL 390 Cb 1.35 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 3k8m h VAL 390 CO 0.60 0.00 0.00 2.29 -1.23 0.00 0.00 177.57 179.23 3k8m n LYS 391 N -2.35 1.66 0.00 5.19 2.85 -1.26 -3.95 118.16 120.30 3k8m n LYS 391 Ca 0.02 -0.99 0.02 0.00 -1.05 0.00 0.00 58.31 56.32 3k8m n LYS 391 Cb 0.25 -1.40 0.02 0.00 -0.65 0.00 0.00 35.03 33.25 3k8m n LYS 391 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3k8m n HIS 392 N 0.21 0.00 0.35 5.58 8.25 -0.77 -3.93 115.22 124.90 3k8m n HIS 392 Ca 0.16 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.44 3k8m n HIS 392 Cb 0.31 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.33 3k8m n HIS 392 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3k8m h ILE 393 N 0.80 0.11 -3.03 1.59 2.04 -1.68 -3.37 117.51 113.97 3k8m h ILE 393 Ca 0.00 0.00 -0.61 0.00 1.00 0.00 0.00 64.86 65.25 3k8m h ILE 393 Cb 0.17 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.30 3k8m h ILE 393 CO 0.00 0.00 -0.22 -0.31 0.00 0.00 0.00 178.15 177.62 3k8m s TYR 394 N -5.96 3.69 0.26 1.37 1.51 -1.26 -4.99 117.35 111.97 3k8m s TYR 394 Ca -0.18 0.94 -0.06 0.00 -1.01 0.00 0.00 57.07 56.76 3k8m s TYR 394 Cb 0.04 -2.29 0.48 0.00 -0.11 0.00 0.00 41.96 40.08 3k8m s TYR 394 CO 0.61 0.60 1.63 1.25 -1.11 0.00 0.00 175.55 178.52 3k8m h HIS 395 N 4.96 -0.05 -3.35 2.71 2.76 -1.88 -3.39 115.15 116.91 3k8m h HIS 395 Ca -0.51 0.06 -0.57 0.00 -2.20 0.00 0.00 60.37 57.16 3k8m h HIS 395 Cb 1.21 0.15 -0.06 0.00 1.55 0.00 0.00 27.41 30.27 3k8m h HIS 395 CO 0.70 -0.27 0.97 0.45 -1.30 0.00 0.00 177.93 178.49 3k8m s SER 396 N -5.17 6.60 0.00 3.26 0.15 -1.26 -4.87 113.70 112.41 3k8m s SER 396 Ca -0.13 0.89 0.28 0.00 0.70 0.00 0.00 55.95 57.69 3k8m s SER 396 Cb 0.23 -2.54 1.59 0.00 -1.71 0.00 0.00 66.02 63.59 3k8m s SER 396 CO 0.76 -1.20 2.00 -1.84 1.20 0.00 0.00 173.24 174.15 3k8m n GLU 397 N 7.61 0.74 0.00 5.44 0.28 -1.25 -3.42 120.64 130.04 3k8m n GLU 397 Ca 0.14 0.01 0.01 0.00 -0.16 0.00 0.00 57.16 57.16 3k8m n GLU 397 Cb 0.48 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.84 3k8m n GLU 397 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3k8m n THR 398 N -1.08 0.00 -1.68 3.84 -2.24 -1.26 -5.02 114.28 106.85 3k8m n THR 398 Ca 0.19 -0.46 -0.30 0.00 -2.27 0.00 0.00 64.05 61.20 3k8m n THR 398 Cb 0.13 1.01 0.22 0.00 -2.10 0.00 0.00 70.33 69.59 3k8m n THR 398 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3k8m s SER 399 N -1.02 2.11 -0.74 3.42 1.04 -1.22 -4.95 113.70 112.34 3k8m s SER 399 Ca 0.01 0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.68 3k8m s SER 399 Cb 0.01 -0.24 0.39 0.00 0.10 0.00 0.00 66.02 66.28 3k8m s SER 399 CO 0.07 -3.36 1.91 -0.62 0.98 0.00 0.00 173.24 172.22 3k8m n GLU 400 N -4.18 2.83 -0.11 4.02 1.02 -1.26 -4.45 120.64 118.51 3k8m n GLU 400 Ca 0.16 -3.57 -0.24 0.00 -0.02 0.00 0.00 57.16 53.49 3k8m n GLU 400 Cb 0.59 -2.27 -0.08 0.00 -0.02 0.00 0.00 31.44 29.66 3k8m n GLU 400 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3k8m n GLU 401 N -0.64 0.50 -0.16 3.49 1.02 -1.26 -4.09 120.64 119.50 3k8m n GLU 401 Ca 0.55 0.22 -0.08 0.00 -0.02 0.00 0.00 57.16 57.82 3k8m n GLU 401 Cb 0.42 -1.34 0.01 0.00 -0.02 0.00 0.00 31.44 30.50 3k8m n GLU 401 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3k8m h ASN 402 N -0.86 0.59 -0.59 1.62 -0.26 -1.85 0.13 115.58 114.37 3k8m h ASN 402 Ca -0.54 -0.11 -0.08 0.00 -0.56 0.00 0.00 56.30 55.01 3k8m h ASN 402 Cb 1.46 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 38.54 3k8m h ASN 402 CO -0.33 0.53 0.07 -0.65 -1.06 0.00 0.00 177.43 175.99 3k8m h PRO 403 N 0.61 0.99 -0.64 0.81 0.11 -1.84 0.00 132.00 132.04 3k8m h PRO 403 Ca 0.16 -0.28 -0.06 0.00 0.11 0.00 0.00 66.00 65.93 3k8m h PRO 403 Cb 0.09 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 3k8m h PRO 403 CO -0.02 0.95 0.16 -0.09 -0.21 0.00 0.00 178.00 178.79 3k8m h ARG 404 N 0.89 1.02 -0.32 1.05 2.43 -1.66 -1.34 114.38 116.44 3k8m h ARG 404 Ca 0.17 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3k8m h ARG 404 Cb 0.46 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3k8m h ARG 404 CO 0.02 0.92 0.14 0.35 -1.51 0.00 0.00 179.97 179.89 3k8m h PHE 405 N 0.95 0.48 -0.43 2.20 3.57 -0.46 -3.07 116.94 120.18 3k8m h PHE 405 Ca 0.20 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3k8m h PHE 405 Cb 0.35 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3k8m h PHE 405 CO 0.03 0.44 0.12 -0.07 -2.23 0.00 0.00 178.31 176.60 3k8m h LEU 406 N 0.38 0.63 -1.33 0.59 3.38 -0.87 -1.79 115.31 116.29 3k8m h LEU 406 Ca 0.11 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3k8m h LEU 406 Cb 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3k8m h LEU 406 CO -0.01 0.68 0.00 1.17 0.09 0.00 0.00 178.44 180.37 3k8m n LYS 407 N -4.56 0.00 0.00 1.13 4.81 -0.52 0.09 118.16 119.11 3k8m n LYS 407 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3k8m n LYS 407 Cb 0.19 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.22 3k8m n LYS 407 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3k8m n PHE 409 N 0.55 0.00 -0.17 5.64 7.35 -0.67 -1.84 117.46 128.32 3k8m n PHE 409 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 3k8m n PHE 409 Cb 0.00 0.00 0.08 0.00 0.35 0.00 0.00 39.48 39.91 3k8m n PHE 409 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 3k8m h TYR 410 N 0.00 0.28 -0.77 -5.13 5.03 -0.62 -2.19 116.97 113.58 3k8m h TYR 410 Ca 0.00 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 3k8m h TYR 410 Cb 0.00 -0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.20 3k8m h TYR 410 CO 0.00 0.06 0.37 0.93 -1.32 0.00 0.00 178.16 178.20 3k8m h GLU 411 N 0.33 1.11 -0.26 1.82 5.08 -1.60 0.29 114.58 121.35 3k8m h GLU 411 Ca 0.27 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3k8m h GLU 411 Cb 0.33 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3k8m h GLU 411 CO -0.30 0.87 0.00 -0.25 -1.00 0.00 0.00 179.01 178.33 3k8m n ASP 412 N -4.37 0.18 0.00 1.42 8.00 -0.82 -0.96 116.55 120.00 3k8m n ASP 412 Ca 0.07 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.24 3k8m n ASP 412 Cb 0.14 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 3k8m n ASP 412 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3k8m n ASN 414 N 0.45 0.00 -0.15 -2.24 4.05 0.10 -2.43 115.26 115.04 3k8m n ASN 414 Ca 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 54.58 54.97 3k8m n ASN 414 Cb 0.04 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.06 3k8m n ASN 414 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3k8m h ALA 415 N 0.00 -0.05 -0.28 5.20 0.00 -1.28 0.13 119.26 122.98 3k8m h ALA 415 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3k8m h ALA 415 Cb 0.00 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3k8m h ALA 415 CO 0.00 -0.66 0.08 -0.92 0.00 0.00 0.00 179.25 177.74 3k8m h TYR 416 N -0.19 0.13 -0.68 0.00 3.20 -1.72 0.25 116.97 117.96 3k8m h TYR 416 Ca 0.20 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.21 3k8m h TYR 416 Cb 0.52 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.69 3k8m h TYR 416 CO -0.55 0.05 0.27 -0.92 -1.64 0.00 0.00 178.16 175.37 3k8m h TYR 417 N 0.19 0.46 -0.19 -3.82 3.20 -1.36 -0.77 116.97 114.69 3k8m h TYR 417 Ca 0.13 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.86 3k8m h TYR 417 Cb 0.11 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 3k8m h TYR 417 CO -0.15 0.09 -0.59 0.87 -1.64 0.00 0.00 178.16 176.75 3k8m h LYS 418 N 0.44 0.60 0.00 1.82 1.57 -0.17 -2.71 116.57 118.11 3k8m h LYS 418 Ca 0.36 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3k8m h LYS 418 Cb 0.49 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3k8m h LYS 418 CO -0.35 1.02 0.00 0.94 -0.57 0.00 0.00 179.45 180.48 3k8m n GLN 419 N -3.95 0.00 -0.77 3.15 7.27 0.82 -0.66 117.38 123.23 3k8m n GLN 419 Ca -0.04 0.46 -0.02 0.00 0.07 0.00 0.00 57.00 57.47 3k8m n GLN 419 Cb 0.63 -1.50 0.24 0.00 2.41 0.00 0.00 30.24 32.02 3k8m n GLN 419 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3k8m n LYS 420 N -1.47 2.64 -1.91 3.69 4.76 -0.95 -4.98 118.16 119.94 3k8m n LYS 420 Ca 0.00 -3.04 -0.02 0.00 -2.87 0.00 0.00 58.31 52.39 3k8m n LYS 420 Cb 0.01 -1.95 0.00 0.00 -1.84 0.00 0.00 35.03 31.25 3k8m n LYS 420 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k8m n GLY 421 N -0.72 -1.69 3.59 0.72 0.00 0.16 -5.09 105.19 102.17 3k8m n GLY 421 Ca 0.33 0.21 -0.01 0.00 0.00 0.00 0.00 46.02 46.55 3k8m n GLY 421 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k8m s HIS 422 N -1.18 -1.12 -0.23 1.61 3.76 -1.20 -4.97 115.29 111.96 3k8m s HIS 422 Ca 0.05 1.98 0.21 0.00 -0.15 0.00 0.00 55.06 57.16 3k8m s HIS 422 Cb -0.01 0.67 0.01 0.00 1.11 0.00 0.00 32.58 34.35 3k8m s HIS 422 CO 0.25 -0.56 1.06 1.79 -0.85 0.00 0.00 174.74 176.43 3k8m h THR 423 N 5.72 0.11 -3.96 1.30 1.35 -1.93 -3.40 112.91 112.11 3k8m h THR 423 Ca -0.19 -1.21 -0.49 0.00 -0.55 0.00 0.00 66.41 63.96 3k8m h THR 423 Cb 1.12 1.66 0.03 0.00 -1.73 0.00 0.00 68.15 69.24 3k8m h THR 423 CO 0.11 0.06 0.45 -0.62 -0.25 0.00 0.00 175.52 175.27 3k8m s ASP 424 N -5.54 6.61 0.40 5.36 2.15 -1.26 -5.04 116.67 119.35 3k8m s ASP 424 Ca -0.00 2.17 -0.19 0.00 0.43 0.00 0.00 52.55 54.96 3k8m s ASP 424 Cb 0.09 -2.60 -0.10 0.00 -0.30 0.00 0.00 42.92 40.01 3k8m s ASP 424 CO 0.78 -0.60 0.89 -1.81 -0.17 0.00 0.00 175.17 174.26 3k8m s ASP 425 N -1.39 6.89 0.36 -0.34 1.01 -1.26 -4.80 116.67 117.15 3k8m s ASP 425 Ca 0.58 1.57 -0.26 0.00 0.71 0.00 0.00 52.55 55.16 3k8m s ASP 425 Cb -0.26 -2.49 -0.09 0.00 1.01 0.00 0.00 42.92 41.09 3k8m s ASP 425 CO 0.32 -0.32 1.08 0.12 0.21 0.00 0.00 175.17 176.59 3k8m s PHE 426 N -2.12 3.33 0.59 4.23 5.36 -1.26 -5.09 117.98 123.01 3k8m s PHE 426 Ca 0.60 1.65 0.02 0.00 -0.96 0.00 0.00 56.93 58.23 3k8m s PHE 426 Cb -0.09 -3.22 0.06 0.00 -0.34 0.00 0.00 43.02 39.43 3k8m s PHE 426 CO 0.14 -0.71 0.82 -0.47 -1.46 0.00 0.00 175.22 173.54 3k8m s TYR 427 N -1.47 2.45 -0.30 10.12 5.04 -1.14 -4.98 117.35 127.07 3k8m s TYR 427 Ca 0.54 -0.14 -0.18 0.00 -2.44 0.00 0.00 57.07 54.85 3k8m s TYR 427 Cb -0.26 -2.76 0.20 0.00 0.35 0.00 0.00 41.96 39.48 3k8m s TYR 427 CO 0.33 -1.08 1.27 -1.50 -1.34 0.00 0.00 175.55 173.23 3k8m s ILE 429 N -2.83 -0.04 0.19 3.14 -1.16 -0.44 -1.48 121.20 118.58 3k8m s ILE 429 Ca 0.60 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.78 3k8m s ILE 429 Cb -0.09 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 41.95 3k8m s ILE 429 CO 0.40 0.00 0.26 -0.83 -2.81 0.00 0.00 174.94 171.95 3k8m s GLY 430 N 1.62 1.55 -0.33 1.50 0.00 -0.65 -0.75 107.32 110.26 3k8m s GLY 430 Ca -0.03 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 3k8m s GLY 430 CO -0.13 -1.19 0.04 1.85 0.00 0.00 0.00 173.10 173.68 3k8m s GLU 431 N -3.47 2.19 -0.54 2.90 2.12 -0.76 -2.83 118.70 118.31 3k8m s GLU 431 Ca 0.33 -1.48 -0.02 0.00 0.36 0.00 0.00 54.97 54.16 3k8m s GLU 431 Cb -0.10 -3.25 0.14 0.00 0.26 0.00 0.00 34.13 31.18 3k8m s GLU 431 CO 0.27 -0.76 0.34 0.08 -0.54 0.00 0.00 175.26 174.65 3k8m s VAL 432 N 1.17 3.44 -0.94 3.70 1.01 -1.26 -3.04 120.40 124.48 3k8m s VAL 432 Ca -0.00 -2.72 -0.22 0.00 0.00 0.00 0.00 61.98 59.04 3k8m s VAL 432 Cb -0.20 -3.29 -0.12 0.00 0.00 0.00 0.00 36.38 32.76 3k8m s VAL 432 CO -0.03 -0.81 1.93 -0.11 0.00 0.00 0.00 175.10 176.08 3k8m n LEU 433 N 3.79 3.92 0.00 3.92 7.94 -1.26 -4.80 117.00 130.52 3k8m n LEU 433 Ca 0.05 -3.06 -0.13 0.00 -1.11 0.00 0.00 56.01 51.76 3k8m n LEU 433 Cb 0.38 -1.34 -0.02 0.00 0.53 0.00 0.00 43.42 42.97 3k8m n LEU 433 CO 0.33 -0.72 0.19 -1.20 -1.11 0.00 0.00 177.39 174.88 3k8m n SER 434 N 9.48 -1.35 -4.81 1.96 7.64 -1.26 -5.14 113.62 120.14 3k8m n SER 434 Ca 0.48 -2.74 -0.32 0.00 1.01 0.00 0.00 58.87 57.30 3k8m n SER 434 Cb 0.42 2.48 0.01 0.00 -1.01 0.00 0.00 64.21 66.11 3k8m n SER 434 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3k8m s GLU 435 N -2.68 3.42 0.26 1.43 0.41 -1.26 -4.51 118.70 115.77 3k8m s GLU 435 Ca 0.26 1.11 0.02 0.00 -0.41 0.00 0.00 54.97 55.95 3k8m s GLU 435 Cb -0.01 -2.05 0.64 0.00 -1.78 0.00 0.00 34.13 30.93 3k8m s GLU 435 CO 0.19 -0.72 1.31 2.48 -0.49 0.00 0.00 175.26 178.03 3k8m n TYR 436 N -2.07 0.53 0.30 1.61 0.18 -1.26 -0.67 117.16 115.79 3k8m n TYR 436 Ca 0.08 1.01 0.19 0.00 1.88 0.00 0.00 57.90 61.06 3k8m n TYR 436 Cb 0.53 -1.13 0.91 0.00 -0.38 0.00 0.00 39.34 39.27 3k8m n TYR 436 CO 0.00 0.00 0.00 0.38 -2.08 0.00 0.00 176.86 175.16 3k8m h ASP 437 N 0.00 0.00 0.31 9.48 -0.00 -1.97 0.05 116.42 124.28 3k8m h ASP 437 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.54 3k8m h ASP 437 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.38 3k8m h ASP 437 CO -0.79 0.02 -1.50 0.29 -0.00 0.00 0.00 179.24 177.26 3k8m n LYS 438 N -3.19 0.52 -0.06 4.15 4.76 0.16 -4.37 118.16 120.13 3k8m n LYS 438 Ca -0.01 -0.07 -0.18 0.00 -2.87 0.00 0.00 58.31 55.17 3k8m n LYS 438 Cb 0.20 -1.60 -0.13 0.00 -1.84 0.00 0.00 35.03 31.66 3k8m n LYS 438 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3k8m h VAL 439 N 0.00 1.38 -0.95 -0.18 2.07 -0.94 -3.41 116.25 114.23 3k8m h VAL 439 Ca 0.00 -2.32 0.17 0.00 0.82 0.00 0.00 66.70 65.38 3k8m h VAL 439 Cb 0.91 2.91 -0.17 0.00 -1.52 0.00 0.00 31.29 33.41 3k8m h VAL 439 CO 0.00 0.54 -0.29 0.00 0.02 0.00 0.00 177.57 177.84 3k8m n ALA 440 N -2.92 0.09 0.08 1.67 0.00 -0.07 -0.48 120.51 118.87 3k8m n ALA 440 Ca -0.20 1.01 0.05 0.00 0.00 0.00 0.00 53.44 54.30 3k8m n ALA 440 Cb 0.63 -0.55 0.26 0.00 0.00 0.00 0.00 19.45 19.80 3k8m n ALA 440 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3k8m n PRO 441 N -5.49 0.06 0.06 0.00 -0.04 -1.26 -1.15 135.00 127.18 3k8m n PRO 441 Ca 0.13 0.56 0.13 0.00 -0.04 0.00 0.00 63.50 64.28 3k8m n PRO 441 Cb 0.44 -1.70 0.49 0.00 -0.04 0.00 0.00 33.50 32.68 3k8m n PRO 441 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3k8m n TYR 442 N -1.84 0.49 0.29 0.54 4.02 0.36 -2.89 117.16 118.14 3k8m n TYR 442 Ca -0.01 0.15 0.16 0.00 -0.01 0.00 0.00 57.90 58.19 3k8m n TYR 442 Cb 0.02 -0.75 0.74 0.00 -0.02 0.00 0.00 39.34 39.33 3k8m n TYR 442 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 3k8m h TYR 443 N 0.00 0.00 0.00 -0.72 -1.99 -1.28 0.57 116.97 113.55 3k8m h TYR 443 Ca 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 3k8m h TYR 443 Cb 0.57 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.29 3k8m h TYR 443 CO 0.00 0.00 -0.17 0.87 -0.00 0.00 0.00 178.16 178.86 3k8m h LYS 444 N 0.00 0.00 0.00 4.88 1.79 -1.74 -3.30 116.57 118.20 3k8m h LYS 444 Ca 0.00 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.05 3k8m h LYS 444 Cb 0.21 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.79 3k8m h LYS 444 CO 0.00 0.17 -2.47 0.41 -1.08 0.00 0.00 179.45 176.48 3k8m n GLY 445 N -0.93 -0.39 3.54 3.86 0.00 0.12 -4.74 105.19 106.64 3k8m n GLY 445 Ca -0.02 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 3k8m n GLY 445 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k8m s LEU 446 N -6.99 2.88 0.32 0.99 1.43 -0.78 -3.46 118.68 113.08 3k8m s LEU 446 Ca -0.36 -0.47 0.16 0.00 -1.03 0.00 0.00 54.13 52.43 3k8m s LEU 446 Cb 0.12 -1.70 0.46 0.00 0.03 0.00 0.00 46.19 45.10 3k8m s LEU 446 CO 0.52 0.18 1.63 1.55 0.23 0.00 0.00 176.35 180.46 3k8m h PRO 447 N 3.64 0.00 -4.74 1.29 0.13 -1.90 -3.39 132.00 127.03 3k8m h PRO 447 Ca -0.49 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.30 3k8m h PRO 447 Cb 1.17 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.06 3k8m h PRO 447 CO 0.49 0.48 -0.76 0.00 -0.23 0.00 0.00 178.00 177.99 3k8m s ALA 448 N -3.43 0.73 0.02 -0.56 0.00 -1.26 -1.94 121.76 115.31 3k8m s ALA 448 Ca 0.01 -0.66 -0.08 0.00 0.00 0.00 0.00 51.96 51.22 3k8m s ALA 448 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.17 3k8m s ALA 448 CO 0.72 0.08 0.17 -0.51 0.00 0.00 0.00 175.76 176.22 3k8m s LEU 449 N -1.11 1.46 0.18 0.00 1.43 -1.11 -1.64 118.68 117.89 3k8m s LEU 449 Ca -0.04 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 3k8m s LEU 449 Cb -0.07 0.81 -0.08 0.00 0.03 0.00 0.00 46.19 46.88 3k8m s LEU 449 CO 0.01 -0.46 0.97 -0.36 0.23 0.00 0.00 176.35 176.74 3k8m s PHE 450 N -1.91 3.86 -0.75 0.29 0.08 -1.13 -2.20 117.98 116.22 3k8m s PHE 450 Ca -0.10 1.83 -0.17 0.00 0.12 0.00 0.00 56.93 58.61 3k8m s PHE 450 Cb -0.04 -3.06 0.16 0.00 -0.57 0.00 0.00 43.02 39.51 3k8m s PHE 450 CO -0.01 0.19 0.79 -1.21 -0.10 0.00 0.00 175.22 174.88 3k8m s GLU 451 N -0.64 3.37 0.33 0.44 0.41 -0.12 -4.79 118.70 117.71 3k8m s GLU 451 Ca 0.44 -1.92 0.18 0.00 -0.41 0.00 0.00 54.97 53.26 3k8m s GLU 451 Cb -0.26 -4.46 0.16 0.00 -1.78 0.00 0.00 34.13 27.78 3k8m s GLU 451 CO 0.32 -1.46 1.49 0.74 -0.49 0.00 0.00 175.26 175.86 3k8m h PHE 452 N 8.51 0.00 0.00 1.61 -1.00 -1.87 -3.13 116.94 121.06 3k8m h PHE 452 Ca -0.05 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.69 3k8m h PHE 452 Cb 1.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.61 3k8m h PHE 452 CO 0.97 0.33 -0.20 0.77 -1.61 0.00 0.00 178.31 178.57 3k8m h SER 453 N 0.00 0.00 0.29 2.17 0.02 -1.89 -2.03 113.55 112.11 3k8m h SER 453 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3k8m h SER 453 Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 3k8m h SER 453 CO 0.04 0.20 -0.23 0.15 -1.14 0.00 0.00 176.83 175.85 3k8m h PHE 454 N 0.00 -0.61 -0.86 3.45 3.57 -1.87 -1.22 116.94 119.40 3k8m h PHE 454 Ca -0.00 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 3k8m h PHE 454 Cb 0.59 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 3k8m h PHE 454 CO 0.00 -0.32 0.55 2.35 -2.23 0.00 0.00 178.31 178.67 3k8m h TRP 455 N -0.50 0.85 -0.89 0.41 -0.00 -1.61 -0.13 115.95 114.09 3k8m h TRP 455 Ca -0.04 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.88 3k8m h TRP 455 Cb 0.41 -0.27 -0.04 0.00 -0.00 0.00 0.00 29.16 29.26 3k8m h TRP 455 CO -0.08 0.38 0.59 1.88 -0.00 0.00 0.00 178.44 181.21 3k8m h TYR 456 N 0.78 1.12 0.09 2.65 0.05 -1.13 -1.56 116.97 118.97 3k8m h TYR 456 Ca 0.41 0.03 -0.24 0.00 0.05 0.00 0.00 58.73 58.97 3k8m h TYR 456 Cb 0.51 -0.38 0.02 0.00 1.01 0.00 0.00 36.73 37.89 3k8m h TYR 456 CO -0.00 0.71 -0.98 0.00 -1.05 0.00 0.00 178.16 176.83 3k8m h ARG 457 N 1.21 0.50 -0.65 4.88 2.47 -0.28 -3.18 114.38 119.33 3k8m h ARG 457 Ca 0.33 -0.66 -0.08 0.00 -1.26 0.00 0.00 59.98 58.30 3k8m h ARG 457 Cb -0.14 0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 3k8m h ARG 457 CO -0.07 1.28 0.08 1.25 0.56 0.00 0.00 179.97 183.07 3k8m h LEU 458 N 0.03 1.06 0.23 3.04 5.85 -0.98 -0.41 115.31 124.13 3k8m h LEU 458 Ca -0.15 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 3k8m h LEU 458 Cb 1.70 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.45 3k8m h LEU 458 CO 0.19 1.07 -0.11 -0.08 -0.34 0.00 0.00 178.44 179.17 3k8m h GLU 459 N 1.02 -0.29 -0.36 1.25 4.22 -1.43 -1.83 114.58 117.16 3k8m h GLU 459 Ca 0.20 0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.69 3k8m h GLU 459 Cb 0.47 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 3k8m h GLU 459 CO 0.02 0.04 0.14 2.35 -2.18 0.00 0.00 179.01 179.38 3k8m h TRP 460 N -0.67 0.26 -0.79 0.92 7.01 -1.56 -2.22 115.95 118.91 3k8m h TRP 460 Ca -0.03 0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.10 3k8m h TRP 460 Cb 0.47 -0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 27.38 3k8m h TRP 460 CO 0.03 0.12 0.41 0.78 -2.79 0.00 0.00 178.44 176.99 3k8m h GLY 461 N 0.30 1.23 1.37 2.65 0.00 -1.03 -0.36 103.07 107.24 3k8m h GLY 461 Ca 0.16 -0.25 -0.19 0.00 0.00 0.00 0.00 47.33 47.05 3k8m h GLY 461 CO -0.15 0.03 -0.67 -2.22 0.00 0.00 0.00 176.54 173.54 3k8m h ILE 462 N 0.64 1.32 -0.18 2.60 2.04 -0.97 0.18 117.51 123.14 3k8m h ILE 462 Ca 0.41 -1.94 -0.17 0.00 1.00 0.00 0.00 64.86 64.16 3k8m h ILE 462 Cb 0.49 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 3k8m h ILE 462 CO -0.31 0.60 -0.58 0.78 0.00 0.00 0.00 178.15 178.64 3k8m h ASN 463 N 0.46 0.64 -0.72 1.72 2.35 -0.96 -3.13 115.58 115.94 3k8m h ASN 463 Ca -0.02 -0.36 -0.20 0.00 -0.55 0.00 0.00 56.30 55.18 3k8m h ASN 463 Cb 1.26 -0.19 -0.12 0.00 0.05 0.00 0.00 38.32 39.32 3k8m h ASN 463 CO 0.13 1.08 0.24 0.59 -1.65 0.00 0.00 177.43 177.82 3k8m n ASN 464 N -3.95 4.92 -3.20 5.81 4.13 -0.18 -4.98 115.26 117.81 3k8m n ASN 464 Ca -0.04 -3.21 -0.25 0.00 1.68 0.00 0.00 54.58 52.77 3k8m n ASN 464 Cb 0.63 -0.74 0.02 0.00 -1.54 0.00 0.00 39.78 38.14 3k8m n ASN 464 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3k8m n SER 465 N -0.10 -3.93 -3.28 6.41 7.64 -0.85 -4.96 113.62 114.55 3k8m n SER 465 Ca 0.40 -0.43 -0.08 0.00 1.01 0.00 0.00 58.87 59.77 3k8m n SER 465 Cb 1.37 -1.22 -0.05 0.00 -1.01 0.00 0.00 64.21 63.31 3k8m n SER 465 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3k8m s THR 466 N -1.89 -0.66 -0.14 0.44 2.01 0.59 -4.08 115.64 111.91 3k8m s THR 466 Ca 0.16 -0.46 0.15 0.00 0.31 0.00 0.00 61.69 61.85 3k8m s THR 466 Cb -0.02 -0.53 -0.24 0.00 0.01 0.00 0.00 72.50 71.72 3k8m s THR 466 CO 0.68 -0.29 0.29 0.61 -0.69 0.00 0.00 174.62 175.22 3k8m n GLY 467 N 4.60 -0.98 0.00 4.40 0.00 0.02 -4.43 105.19 108.80 3k8m n GLY 467 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3k8m n GLY 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8m n TYR 469 N -1.01 0.00 0.00 0.00 4.01 -1.26 -2.16 117.16 116.74 3k8m n TYR 469 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3k8m n TYR 469 Cb 0.12 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 3k8m n TYR 469 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3k8m n PHE 470 N -2.10 0.00 -0.33 -0.72 7.35 0.65 -1.42 117.46 120.90 3k8m n PHE 470 Ca -0.09 0.00 0.22 0.00 -0.76 0.00 0.00 57.45 56.82 3k8m n PHE 470 Cb 0.54 -0.39 0.44 0.00 0.35 0.00 0.00 39.48 40.41 3k8m n PHE 470 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3k8m h ALA 471 N -1.32 1.81 0.45 3.13 0.00 -1.87 0.04 119.26 121.49 3k8m h ALA 471 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3k8m h ALA 471 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3k8m h ALA 471 CO 0.00 -0.55 -0.22 -0.22 0.00 0.00 0.00 179.25 178.26 3k8m h LYS 472 N 0.29 -0.58 0.05 0.00 3.64 -1.54 -2.31 116.57 116.12 3k8m h LYS 472 Ca 0.70 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 60.13 3k8m h LYS 472 Cb 1.56 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 33.47 3k8m h LYS 472 CO -0.62 -0.36 -0.44 -0.44 -2.27 0.00 0.00 179.45 175.32 3k8m h ASP 473 N -0.65 -1.33 -0.60 4.20 3.32 0.19 -1.31 116.42 120.23 3k8m h ASP 473 Ca -0.06 0.14 0.12 0.00 0.02 0.00 0.00 57.03 57.25 3k8m h ASP 473 Cb 0.49 0.50 -0.11 0.00 0.22 0.00 0.00 39.33 40.42 3k8m h ASP 473 CO 0.10 -0.44 -0.16 0.40 -1.72 0.00 0.00 179.24 177.42 3k8m h ILE 474 N -0.58 0.39 -0.61 0.35 1.08 -1.39 0.15 117.51 116.90 3k8m h ILE 474 Ca 0.00 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 3k8m h ILE 474 Cb 0.60 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 3k8m h ILE 474 CO -0.27 0.00 0.40 -0.07 -0.69 0.00 0.00 178.15 177.53 3k8m h LEU 475 N -0.01 0.66 -1.16 1.44 3.38 -1.09 -0.50 115.31 118.03 3k8m h LEU 475 Ca 0.29 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.16 3k8m h LEU 475 Cb 0.45 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3k8m h LEU 475 CO -0.62 0.47 -0.34 0.77 0.09 0.00 0.00 178.44 178.81 3k8m h SER 476 N 0.78 0.14 -0.06 -0.43 4.64 0.45 -1.23 113.55 117.83 3k8m h SER 476 Ca 0.23 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.47 3k8m h SER 476 Cb -0.02 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3k8m h SER 476 CO -0.06 0.48 -0.10 1.88 -0.87 0.00 0.00 176.83 178.16 3k8m h TYR 477 N 0.12 0.22 -0.83 4.77 0.05 -0.27 -2.50 116.97 118.52 3k8m h TYR 477 Ca 0.01 -0.07 0.09 0.00 0.05 0.00 0.00 58.73 58.81 3k8m h TYR 477 Cb 0.66 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 38.31 3k8m h TYR 477 CO 0.01 0.68 0.54 1.96 -1.05 0.00 0.00 178.16 180.30 3k8m h GLN 478 N -0.31 0.77 0.12 4.88 4.20 -0.96 0.03 115.11 123.84 3k8m h GLN 478 Ca 0.00 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.68 3k8m h GLN 478 Cb 0.66 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 3k8m h GLN 478 CO 0.02 0.51 -0.18 0.37 -0.67 0.00 0.00 178.83 178.88 3k8m h GLN 479 N 0.80 -0.35 -0.56 1.46 4.15 -1.12 -0.93 115.11 118.56 3k8m h GLN 479 Ca 0.38 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.85 3k8m h GLN 479 Cb 0.42 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.15 3k8m h GLN 479 CO -0.15 -0.24 0.34 0.87 -1.93 0.00 0.00 178.83 177.72 3k8m h LYS 480 N -0.37 0.65 -0.74 1.69 1.79 -0.60 -2.29 116.57 116.70 3k8m h LYS 480 Ca 0.02 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 3k8m h LYS 480 Cb 0.38 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.85 3k8m h LYS 480 CO -0.09 0.43 0.26 1.88 -1.08 0.00 0.00 179.45 180.85 3k8m h TYR 481 N 0.67 1.17 -0.33 -1.35 0.05 -0.90 -2.24 116.97 114.03 3k8m h TYR 481 Ca 0.22 -0.11 0.10 0.00 0.05 0.00 0.00 58.73 58.99 3k8m h TYR 481 Cb 0.02 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 3k8m h TYR 481 CO -0.06 0.91 0.25 0.00 -1.05 0.00 0.00 178.16 178.21 3k8m h ALA 482 N 1.13 2.27 0.00 3.88 0.00 -0.61 0.84 119.26 126.77 3k8m h ALA 482 Ca 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3k8m h ALA 482 Cb 0.27 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3k8m h ALA 482 CO -0.01 -0.42 -0.06 -0.91 0.00 0.00 0.00 179.25 177.85 3k8m h ASN 483 N 0.00 0.00 0.00 0.00 2.35 -1.08 -3.12 115.58 113.74 3k8m h ASN 483 Ca 0.16 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.71 3k8m h ASN 483 Cb 0.66 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.99 3k8m h ASN 483 CO -0.00 0.06 -1.93 -1.22 -1.65 0.00 0.00 177.43 172.69 3k8m n TYR 484 N -3.45 0.00 -3.60 1.19 4.01 0.20 -4.99 117.16 110.52 3k8m n TYR 484 Ca -0.02 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.70 3k8m n TYR 484 Cb 0.19 -0.62 -0.05 0.00 -0.31 0.00 0.00 39.34 38.54 3k8m n TYR 484 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3k8m s ARG 485 N -2.55 0.54 0.42 -0.72 3.52 -0.67 -4.66 118.95 114.83 3k8m s ARG 485 Ca -0.07 1.19 0.23 0.00 -0.13 0.00 0.00 55.73 56.95 3k8m s ARG 485 Cb 0.06 0.54 0.82 0.00 -1.56 0.00 0.00 34.95 34.80 3k8m s ARG 485 CO 0.61 -0.16 1.78 0.66 -0.81 0.00 0.00 175.30 177.39 3k8m h SER 486 N 7.47 0.00 -0.77 -2.12 4.64 -1.83 -3.15 113.55 117.79 3k8m h SER 486 Ca -0.22 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.68 3k8m h SER 486 Cb 1.14 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.99 3k8m h SER 486 CO 0.12 0.26 0.37 -0.90 -0.87 0.00 0.00 176.83 175.82 3k8m n ASP 487 N -3.40 3.76 -4.70 4.97 5.75 -1.26 -4.97 116.55 116.70 3k8m n ASP 487 Ca 0.00 -3.70 -0.36 0.00 -0.01 0.00 0.00 54.79 50.72 3k8m n ASP 487 Cb 0.46 -0.77 0.08 0.00 -1.03 0.00 0.00 41.12 39.87 3k8m n ASP 487 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k8m n TYR 488 N -1.10 1.57 -3.86 2.11 0.18 -1.19 -5.00 117.16 109.88 3k8m n TYR 488 Ca 0.51 0.42 -0.36 0.00 1.88 0.00 0.00 57.90 60.34 3k8m n TYR 488 Cb 1.33 -2.20 -0.13 0.00 -0.38 0.00 0.00 39.34 37.95 3k8m n TYR 488 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 3k8m s ILE 489 N -1.60 3.30 -0.52 -3.48 1.01 -0.82 -5.05 121.20 114.04 3k8m s ILE 489 Ca 0.79 -1.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.07 3k8m s ILE 489 Cb -0.36 -2.83 0.06 0.00 0.01 0.00 0.00 42.46 39.34 3k8m s ILE 489 CO 0.44 -0.06 0.64 -0.70 0.00 0.00 0.00 174.94 175.27 3k8m s GLU 490 N 1.33 3.12 -0.67 2.79 2.12 -1.26 -2.74 118.70 123.39 3k8m s GLU 490 Ca -0.03 -0.92 -0.21 0.00 0.36 0.00 0.00 54.97 54.17 3k8m s GLU 490 Cb -0.19 -4.12 0.08 0.00 0.26 0.00 0.00 34.13 30.17 3k8m s GLU 490 CO -0.00 -1.27 0.93 0.00 -0.54 0.00 0.00 175.26 174.38 3k8m s ALA 491 N 2.68 3.20 0.47 6.30 0.00 -0.93 -1.23 121.76 132.24 3k8m s ALA 491 Ca 0.15 -2.00 -0.19 0.00 0.00 0.00 0.00 51.96 49.91 3k8m s ALA 491 Cb -0.20 -3.81 -0.10 0.00 0.00 0.00 0.00 23.12 19.02 3k8m s ALA 491 CO 0.11 -2.71 0.97 0.95 0.00 0.00 0.00 175.76 175.08 3k8m s THR 492 N 3.67 4.39 0.17 0.00 -4.23 -0.71 -0.94 115.64 118.00 3k8m s THR 492 Ca 0.21 1.36 -0.23 0.00 -1.18 0.00 0.00 61.69 61.85 3k8m s THR 492 Cb -0.17 -3.63 0.06 0.00 1.34 0.00 0.00 72.50 70.10 3k8m s THR 492 CO 0.08 -0.44 0.64 -1.59 -0.54 0.00 0.00 174.62 172.76 3k8m s LYS 493 N -3.50 1.35 0.00 3.99 -2.85 -1.26 -0.07 119.74 117.39 3k8m s LYS 493 Ca 0.61 -0.56 0.00 0.00 -1.00 0.00 0.00 55.97 55.02 3k8m s LYS 493 Cb -0.10 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.25 3k8m s LYS 493 CO 0.20 -0.60 0.00 1.28 0.10 0.00 0.00 175.35 176.33 3k8m n LEU 494 N -0.39 0.00 -4.90 2.77 4.77 -1.26 -3.68 117.00 114.31 3k8m n LEU 494 Ca -0.14 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.52 3k8m n LEU 494 Cb 0.64 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 3k8m n LEU 494 CO 0.13 0.00 -0.04 -0.94 -1.33 0.00 0.00 177.39 175.21 3k8m s SER 495 N -1.00 6.46 0.14 -1.43 1.04 -1.26 -4.76 113.70 112.89 3k8m s SER 495 Ca 0.00 0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.94 3k8m s SER 495 Cb 0.00 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 64.07 3k8m s SER 495 CO 0.00 0.13 0.04 -0.46 0.98 0.00 0.00 173.24 173.93 3k8m n ASN 496 N 0.37 2.04 0.00 7.02 0.23 -1.26 -4.63 115.26 119.03 3k8m n ASN 496 Ca -0.05 -1.56 0.00 0.00 -0.53 0.00 0.00 54.58 52.44 3k8m n ASN 496 Cb 0.52 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 3k8m n ASN 496 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3k8m n HIS 497 N -0.52 0.00 -0.86 -2.53 1.44 -1.26 -1.67 115.22 109.82 3k8m n HIS 497 Ca -0.04 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.74 3k8m n HIS 497 Cb 0.17 -0.09 0.10 0.00 0.12 0.00 0.00 29.99 30.28 3k8m n HIS 497 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3k8m n ASP 498 N -1.08 2.10 -3.93 4.39 8.00 -1.26 -4.91 116.55 119.86 3k8m n ASP 498 Ca 0.00 -2.73 -0.09 0.00 0.71 0.00 0.00 54.79 52.68 3k8m n ASP 498 Cb 0.00 -0.31 -0.09 0.00 -0.02 0.00 0.00 41.12 40.71 3k8m n ASP 498 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3k8m s GLU 499 N -2.22 0.64 0.30 -1.24 2.02 -0.67 -5.07 118.70 112.46 3k8m s GLU 499 Ca 0.22 -0.84 -0.29 0.00 0.02 0.00 0.00 54.97 54.08 3k8m s GLU 499 Cb 0.19 0.25 -0.13 0.00 0.10 0.00 0.00 34.13 34.54 3k8m s GLU 499 CO 0.02 -0.17 1.25 -0.25 0.02 0.00 0.00 175.26 176.13 3k8m n ASP 500 N 0.54 2.36 -4.42 -0.19 8.00 -1.26 -4.57 116.55 117.01 3k8m n ASP 500 Ca -0.18 1.18 -0.37 0.00 0.71 0.00 0.00 54.79 56.14 3k8m n ASP 500 Cb 0.59 -1.41 0.06 0.00 -0.02 0.00 0.00 41.12 40.34 3k8m n ASP 500 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3k8m n ARG 501 N 1.00 0.28 0.23 -1.24 5.12 -0.99 -4.80 116.66 116.27 3k8m n ARG 501 Ca 0.08 0.13 -0.11 0.00 -1.93 0.00 0.00 57.85 56.01 3k8m n ARG 501 Cb 0.33 -1.68 -0.06 0.00 -1.16 0.00 0.00 32.46 29.90 3k8m n ARG 501 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 3k8m h THR 502 N -0.28 0.00 -0.83 0.55 2.02 -1.88 -2.87 112.91 109.61 3k8m h THR 502 Ca -0.45 0.00 0.14 0.00 0.77 0.00 0.00 66.41 66.87 3k8m h THR 502 Cb 1.36 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.63 3k8m h THR 502 CO 0.42 0.00 -0.30 -0.24 0.37 0.00 0.00 175.52 175.77 3k8m n SER 503 N -4.13 -0.48 0.29 4.18 2.88 -1.26 0.12 113.62 115.22 3k8m n SER 503 Ca -0.08 1.45 0.16 0.00 -1.33 0.00 0.00 58.87 59.06 3k8m n SER 503 Cb 0.29 -0.36 0.91 0.00 -0.75 0.00 0.00 64.21 64.30 3k8m n SER 503 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3k8m h SER 504 N 0.00 0.00 0.74 -3.46 0.02 -1.80 0.29 113.55 109.34 3k8m h SER 504 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3k8m h SER 504 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3k8m h SER 504 CO -0.84 0.03 -0.40 0.29 -1.14 0.00 0.00 176.83 174.78 3k8m n LYS 505 N -3.65 0.08 -1.80 3.45 4.76 0.32 -3.78 118.16 117.54 3k8m n LYS 505 Ca -0.03 0.03 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 3k8m n LYS 505 Cb 0.13 -1.56 0.04 0.00 -1.84 0.00 0.00 35.03 31.80 3k8m n LYS 505 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3k8m n LEU 506 N -1.68 5.48 -2.46 -0.35 4.77 0.03 -4.94 117.00 117.85 3k8m n LEU 506 Ca 0.05 -4.60 -0.09 0.00 -0.03 0.00 0.00 56.01 51.35 3k8m n LEU 506 Cb 0.36 -0.50 -0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3k8m n LEU 506 CO 0.33 1.93 -0.11 0.61 -1.33 0.00 0.00 177.39 178.82 3k8m n GLY 507 N -0.78 -0.50 2.92 -0.72 0.00 -1.15 -1.34 105.19 103.62 3k8m n GLY 507 Ca 0.47 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.31 3k8m n GLY 507 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3k8m n LYS 508 N -2.72 -3.03 -2.94 1.61 4.81 0.80 -4.91 118.16 111.78 3k8m n LYS 508 Ca -0.11 0.56 -0.42 0.00 -0.87 0.00 0.00 58.31 57.48 3k8m n LYS 508 Cb 0.58 -5.23 -0.05 0.00 0.02 0.00 0.00 35.03 30.35 3k8m n LYS 508 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3k8m s SER 509 N -2.41 6.71 0.00 3.14 0.15 -0.45 -4.92 113.70 115.93 3k8m s SER 509 Ca 0.21 0.79 0.14 0.00 0.70 0.00 0.00 55.95 57.79 3k8m s SER 509 Cb -0.11 -2.41 0.85 0.00 -1.71 0.00 0.00 66.02 62.64 3k8m s SER 509 CO 0.26 -0.56 1.27 0.00 1.20 0.00 0.00 173.24 175.41 3k8m n ALA 510 N 6.10 2.09 -0.13 5.45 0.00 -1.26 -2.11 120.51 130.64 3k8m n ALA 510 Ca 0.04 -0.09 -0.26 0.00 0.00 0.00 0.00 53.44 53.13 3k8m n ALA 510 Cb 0.48 -1.23 -0.10 0.00 0.00 0.00 0.00 19.45 18.60 3k8m n ALA 510 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3k8m n ASP 511 N -0.94 1.94 0.15 0.00 8.00 -1.26 -3.68 116.55 120.75 3k8m n ASP 511 Ca 0.11 0.21 0.12 0.00 0.71 0.00 0.00 54.79 55.94 3k8m n ASP 511 Cb 0.05 -0.69 0.54 0.00 -0.02 0.00 0.00 41.12 41.00 3k8m n ASP 511 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3k8m n LYS 512 N -3.96 0.18 -0.04 -1.24 5.02 -1.03 -1.98 118.16 115.12 3k8m n LYS 512 Ca -0.51 0.51 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 3k8m n LYS 512 Cb 0.90 -1.92 -0.01 0.00 -0.02 0.00 0.00 35.03 33.98 3k8m n LYS 512 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k8m h LYS 514 N -1.01 0.38 0.75 0.00 1.57 -1.56 0.11 116.57 116.81 3k8m h LYS 514 Ca -0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3k8m h LYS 514 Cb 0.08 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.31 3k8m h LYS 514 CO 0.01 0.25 -0.36 1.25 -0.57 0.00 0.00 179.45 180.03 3k8m h LEU 515 N 0.39 -0.85 -0.74 2.94 5.85 -1.50 -1.34 115.31 120.07 3k8m h LEU 515 Ca 0.69 0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.58 3k8m h LEU 515 Cb 1.47 0.22 -0.13 0.00 0.37 0.00 0.00 40.66 42.59 3k8m h LEU 515 CO -0.57 -0.54 -0.09 0.00 -0.34 0.00 0.00 178.44 176.91 3k8m h ALA 516 N -0.98 0.63 -0.63 1.25 0.00 -0.58 0.39 119.26 119.34 3k8m h ALA 516 Ca -0.10 0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3k8m h ALA 516 Cb 0.79 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 3k8m h ALA 516 CO 0.17 -0.42 0.41 0.00 0.00 0.00 0.00 179.25 179.40 3k8m h ALA 517 N 1.72 0.82 -0.21 0.00 0.00 -0.96 -1.46 119.26 119.17 3k8m h ALA 517 Ca 0.38 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.27 3k8m h ALA 517 Cb 0.63 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3k8m h ALA 517 CO -0.71 0.19 0.12 0.00 0.00 0.00 0.00 179.25 178.85 3k8m h ALA 518 N 1.25 0.25 0.00 0.00 0.00 0.82 -0.95 119.26 120.64 3k8m h ALA 518 Ca 0.24 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3k8m h ALA 518 Cb -0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3k8m h ALA 518 CO -0.08 -0.29 -0.08 0.28 0.00 0.00 0.00 179.25 179.09 3k8m h VAL 519 N 0.25 0.38 0.19 0.00 2.07 -0.35 -1.34 116.25 117.45 3k8m h VAL 519 Ca 0.08 -0.43 -0.32 0.00 0.82 0.00 0.00 66.70 66.85 3k8m h VAL 519 Cb -0.01 1.31 0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3k8m h VAL 519 CO -0.04 0.08 -1.37 0.25 0.02 0.00 0.00 177.57 176.51 3k8m h LEU 520 N 0.00 0.88 -1.61 2.57 5.85 -0.49 -3.18 115.31 119.32 3k8m h LEU 520 Ca -0.00 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.85 3k8m h LEU 520 Cb 0.30 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3k8m h LEU 520 CO 0.01 1.67 0.00 0.18 -0.34 0.00 0.00 178.44 179.96 3k8m n LEU 521 N -3.76 2.42 -0.07 2.25 4.77 -0.43 -3.83 117.00 118.34 3k8m n LEU 521 Ca -0.15 -1.02 0.01 0.00 -0.03 0.00 0.00 56.01 54.82 3k8m n LEU 521 Cb 1.05 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 3k8m n LEU 521 CO 0.60 0.51 0.20 0.35 -1.33 0.00 0.00 177.39 177.71 3k8m n THR 522 N 0.82 0.00 -2.89 -5.08 -2.24 -0.54 -4.76 114.28 99.59 3k8m n THR 522 Ca 0.17 -0.48 -0.21 0.00 -2.27 0.00 0.00 64.05 61.26 3k8m n THR 522 Cb 0.45 1.04 0.02 0.00 -2.10 0.00 0.00 70.33 69.74 3k8m n THR 522 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3k8m s SER 523 N -0.56 5.58 0.60 3.42 0.01 -1.20 -5.03 113.70 116.52 3k8m s SER 523 Ca 0.02 -0.01 -0.14 0.00 1.31 0.00 0.00 55.95 57.13 3k8m s SER 523 Cb 0.02 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.15 3k8m s SER 523 CO 0.06 -0.87 1.03 0.00 0.41 0.00 0.00 173.24 173.87 3k8m s ALA 524 N -2.57 2.88 0.00 1.44 0.00 -1.26 -4.94 121.76 117.31 3k8m s ALA 524 Ca 0.53 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3k8m s ALA 524 Cb -0.10 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3k8m s ALA 524 CO 0.37 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.80 3k8m n GLY 525 N -1.74 -0.05 3.14 0.00 0.00 -1.26 -4.86 105.19 100.42 3k8m n GLY 525 Ca 0.07 -2.28 -0.36 0.00 0.00 0.00 0.00 46.02 43.46 3k8m n GLY 525 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k8m s HIS 526 N -0.13 3.51 0.29 1.61 0.09 -0.36 -4.87 115.29 115.43 3k8m s HIS 526 Ca 0.00 -2.25 -0.28 0.00 -0.00 0.00 0.00 55.06 52.53 3k8m s HIS 526 Cb 0.00 -2.98 -0.09 0.00 -0.00 0.00 0.00 32.58 29.51 3k8m s HIS 526 CO 0.00 -0.93 0.98 -1.25 -0.00 0.00 0.00 174.74 173.55 3k8m s PRO 527 N 1.18 4.65 -0.09 8.40 0.04 -1.24 -1.73 135.00 146.20 3k8m s PRO 527 Ca 0.05 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.60 3k8m s PRO 527 Cb -0.22 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 3k8m s PRO 527 CO -0.03 0.31 -0.11 0.71 0.04 0.00 0.00 177.00 177.92 3k8m s TYR 528 N -1.38 2.83 -0.20 0.56 1.51 0.90 -1.35 117.35 120.21 3k8m s TYR 528 Ca 0.47 -0.28 -0.04 0.00 -1.01 0.00 0.00 57.07 56.20 3k8m s TYR 528 Cb -0.24 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 39.83 3k8m s TYR 528 CO 0.30 0.07 -0.02 0.42 -1.11 0.00 0.00 175.55 175.21 3k8m s ILE 529 N -0.27 3.69 -0.34 2.71 1.01 0.68 -4.37 121.20 124.30 3k8m s ILE 529 Ca 0.03 -0.40 -0.22 0.00 0.00 0.00 0.00 60.65 60.06 3k8m s ILE 529 Cb -0.13 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.68 3k8m s ILE 529 CO 0.03 0.43 0.72 -0.47 0.00 0.00 0.00 174.94 175.64 3k8m s TYR 530 N 1.16 3.15 0.11 3.97 5.04 -1.26 -0.29 117.35 129.22 3k8m s TYR 530 Ca 0.02 0.54 -0.24 0.00 -2.44 0.00 0.00 57.07 54.95 3k8m s TYR 530 Cb -0.15 -3.23 -0.14 0.00 0.35 0.00 0.00 41.96 38.80 3k8m s TYR 530 CO 0.00 -0.63 0.52 2.48 -1.34 0.00 0.00 175.55 176.58 3k8m n TYR 531 N 6.19 -0.13 0.00 4.97 0.18 0.21 -1.68 117.16 126.90 3k8m n TYR 531 Ca 0.01 0.77 0.00 0.00 1.88 0.00 0.00 57.90 60.56 3k8m n TYR 531 Cb 0.48 -1.54 0.00 0.00 -0.38 0.00 0.00 39.34 37.91 3k8m n TYR 531 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3k8m n GLY 532 N 1.43 2.81 0.21 -7.48 0.00 -1.26 -4.86 105.19 96.04 3k8m n GLY 532 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 3k8m n GLY 532 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3k8m h GLU 533 N 2.43 0.00 0.08 1.61 4.11 -1.66 -1.82 114.58 119.33 3k8m h GLU 533 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3k8m h GLU 533 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3k8m h GLU 533 CO 0.00 0.28 -0.09 0.93 0.07 0.00 0.00 179.01 180.20 3k8m h GLU 534 N 0.00 -0.19 0.00 1.06 3.07 -1.89 -2.77 114.58 113.86 3k8m h GLU 534 Ca -0.00 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 3k8m h GLU 534 Cb 0.79 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 3k8m h GLU 534 CO 0.04 -0.13 -0.23 -0.07 -1.40 0.00 0.00 179.01 177.22 3k8m h LEU 535 N -0.20 0.00 0.00 1.33 3.38 -1.86 -3.09 115.31 114.87 3k8m h LEU 535 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k8m h LEU 535 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3k8m h LEU 535 CO -0.03 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.34 3k8m n GLY 536 N 0.34 1.09 3.37 0.83 0.00 -0.75 -4.72 105.19 105.35 3k8m n GLY 536 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3k8m n GLY 536 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k8m n LEU 537 N 0.00 -1.47 -4.22 0.99 4.77 -0.83 -4.72 117.00 111.53 3k8m n LEU 537 Ca 0.00 0.79 -0.13 0.00 -0.03 0.00 0.00 56.01 56.64 3k8m n LEU 537 Cb 0.00 -1.00 -0.10 0.00 -2.33 0.00 0.00 43.42 39.99 3k8m n LEU 537 CO 0.00 -3.71 -0.28 -0.72 -1.33 0.00 0.00 177.39 171.34 3k8m s TYR 538 N -1.70 1.15 0.00 -1.77 -0.85 -1.26 -4.27 117.35 108.65 3k8m s TYR 538 Ca 0.62 -1.20 0.00 0.00 -0.52 0.00 0.00 57.07 55.97 3k8m s TYR 538 Cb -0.56 -0.64 0.00 0.00 0.38 0.00 0.00 41.96 41.15 3k8m s TYR 538 CO 0.60 -0.43 0.00 0.41 -1.52 0.00 0.00 175.55 174.62 3k8m n GLY 539 N -0.24 2.30 3.19 5.49 0.00 -1.26 -4.81 105.19 109.85 3k8m n GLY 539 Ca -0.03 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 3k8m n GLY 539 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k8m s THR 540 N -2.00 0.65 -2.08 2.61 -4.23 -1.26 -2.34 115.64 106.99 3k8m s THR 540 Ca 0.00 -1.95 0.28 0.00 -1.18 0.00 0.00 61.69 58.84 3k8m s THR 540 Cb 0.00 -1.84 0.76 0.00 1.34 0.00 0.00 72.50 72.76 3k8m s THR 540 CO 0.00 -0.73 2.02 0.29 -0.54 0.00 0.00 174.62 175.67 3k8m n LYS 541 N -0.11 1.12 -0.15 3.99 5.02 -1.26 -4.39 118.16 122.38 3k8m n LYS 541 Ca -0.10 -0.18 -0.04 0.00 -2.02 0.00 0.00 58.31 55.97 3k8m n LYS 541 Cb 0.62 -1.45 0.02 0.00 -0.02 0.00 0.00 35.03 34.20 3k8m n LYS 541 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3k8m h ASP 542 N 0.42 -0.73 0.00 4.39 3.32 -2.01 -3.28 116.42 118.54 3k8m h ASP 542 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3k8m h ASP 542 Cb 0.09 0.40 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3k8m h ASP 542 CO 0.00 -0.24 -0.25 0.78 -1.72 0.00 0.00 179.24 177.81 3k8m h ASN 543 N -0.10 0.00 -4.90 6.45 -0.26 -2.04 -3.49 115.58 111.22 3k8m h ASN 543 Ca 0.23 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.91 3k8m h ASN 543 Cb 0.46 0.00 -0.19 0.00 -1.06 0.00 0.00 38.32 37.52 3k8m h ASN 543 CO -0.55 0.59 0.18 -0.83 -1.06 0.00 0.00 177.43 175.76 3k8m s GLY 544 N -3.81 -0.57 0.51 2.83 0.00 -1.24 -5.03 107.32 100.02 3k8m s GLY 544 Ca -0.07 1.38 0.23 0.00 0.00 0.00 0.00 44.72 46.26 3k8m s GLY 544 CO 0.11 1.03 1.68 -0.55 0.00 0.00 0.00 173.10 175.36 3k8m h ASP 545 N 3.21 0.00 0.58 1.64 5.19 -1.87 -1.04 116.42 124.13 3k8m h ASP 545 Ca -0.27 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.13 3k8m h ASP 545 Cb 1.14 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.65 3k8m h ASP 545 CO 0.36 0.00 -0.03 -0.33 -3.12 0.00 0.00 179.24 176.12 3k8m h GLU 546 N 0.00 0.00 -0.24 3.56 3.07 -1.93 -2.74 114.58 116.30 3k8m h GLU 546 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 3k8m h GLU 546 Cb 0.57 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 3k8m h GLU 546 CO 0.00 0.03 -0.33 1.88 -1.40 0.00 0.00 179.01 179.19 3k8m h TYR 547 N 0.00 0.59 -0.21 4.33 0.05 -1.43 -1.76 116.97 118.54 3k8m h TYR 547 Ca -0.00 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.63 3k8m h TYR 547 Cb 0.33 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.93 3k8m h TYR 547 CO 0.00 0.78 0.00 1.33 -1.05 0.00 0.00 178.16 179.22 3k8m n VAL 548 N -4.07 0.27 -1.66 -2.88 0.24 -1.04 -3.49 118.33 105.70 3k8m n VAL 548 Ca -0.01 -0.37 0.06 0.00 -2.04 0.00 0.00 64.34 61.98 3k8m n VAL 548 Cb 0.46 0.32 0.15 0.00 -1.47 0.00 0.00 33.84 33.31 3k8m n VAL 548 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3k8m n ARG 549 N 0.35 1.18 -0.73 7.34 1.74 -0.70 -4.84 116.66 120.99 3k8m n ARG 549 Ca 0.15 -2.82 -0.31 0.00 -0.77 0.00 0.00 57.85 54.10 3k8m n ARG 549 Cb 0.31 -1.27 0.13 0.00 -1.02 0.00 0.00 32.46 30.61 3k8m n ARG 549 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3k8m n SER 550 N -0.86 -2.62 0.00 0.55 3.41 -0.94 -4.88 113.62 108.28 3k8m n SER 550 Ca 0.15 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3k8m n SER 550 Cb 0.75 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3k8m n SER 550 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3k8m n PRO 551 N -0.79 0.00 -3.36 4.33 -0.02 -1.26 -4.93 135.00 128.97 3k8m n PRO 551 Ca 0.01 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.33 3k8m n PRO 551 Cb 0.61 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 34.01 3k8m n PRO 551 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3k8m s LEU 553 N 0.00 -0.17 0.08 2.45 1.43 -1.26 -4.97 118.68 116.24 3k8m s LEU 553 Ca 0.00 -1.35 0.13 0.00 -1.03 0.00 0.00 54.13 51.88 3k8m s LEU 553 Cb 0.00 0.62 -0.15 0.00 0.03 0.00 0.00 46.19 46.69 3k8m s LEU 553 CO 0.00 -0.28 0.98 -0.50 0.23 0.00 0.00 176.35 176.78 3k8m h TRP 554 N 7.33 0.00 0.00 0.29 4.06 -1.95 -1.84 115.95 123.85 3k8m h TRP 554 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 3k8m h TRP 554 Cb 1.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.23 3k8m h TRP 554 CO 0.31 0.79 0.00 0.41 -3.56 0.00 0.00 178.44 176.39 3k8m n GLY 555 N 1.40 2.97 0.00 1.49 0.00 -1.26 -3.42 105.19 106.37 3k8m n GLY 555 Ca -0.08 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3k8m n GLY 555 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k8m n ASP 556 N 0.59 0.23 -0.34 1.61 5.75 -1.26 -5.03 116.55 118.10 3k8m n ASP 556 Ca 0.00 -0.95 -0.09 0.00 -0.01 0.00 0.00 54.79 53.74 3k8m n ASP 556 Cb 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 3k8m n ASP 556 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3k8m h SER 557 N 0.00 -1.74 0.00 -1.12 0.02 -1.95 -3.08 113.55 105.68 3k8m h SER 557 Ca 0.00 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3k8m h SER 557 Cb 0.00 0.77 0.00 0.00 0.14 0.00 0.00 62.40 63.31 3k8m h SER 557 CO 0.00 -0.19 0.79 -1.22 -1.14 0.00 0.00 176.83 175.07 3k8m n TYR 558 N -4.81 0.00 -1.71 3.45 4.02 -1.26 -4.71 117.16 112.15 3k8m n TYR 558 Ca 0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.50 3k8m n TYR 558 Cb 0.21 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.54 3k8m n TYR 558 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3k8m n THR 559 N -2.03 2.66 -2.74 -0.72 -1.04 -1.17 -1.60 114.28 107.63 3k8m n THR 559 Ca 0.00 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.43 3k8m n THR 559 Cb 0.79 -1.59 0.03 0.00 -1.82 0.00 0.00 70.33 67.74 3k8m n THR 559 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3k8m n THR 560 N -0.27 0.00 -1.67 12.58 -2.24 -1.26 -4.74 114.28 116.68 3k8m n THR 560 Ca 0.07 -0.65 -0.02 0.00 -2.27 0.00 0.00 64.05 61.18 3k8m n THR 560 Cb 0.40 -0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 67.63 3k8m n THR 560 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3k8m n ASN 561 N -2.85 -0.30 0.00 3.42 4.05 -0.78 -4.89 115.26 113.91 3k8m n ASN 561 Ca 0.06 -0.84 0.00 0.00 0.45 0.00 0.00 54.58 54.25 3k8m n ASN 561 Cb 0.22 0.09 0.00 0.00 1.23 0.00 0.00 39.78 41.32 3k8m n ASN 561 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3k8m n TYR 562 N 0.00 0.00 -3.73 1.20 0.18 -0.07 -4.68 117.16 110.07 3k8m n TYR 562 Ca -0.08 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.57 3k8m n TYR 562 Cb 0.39 -0.11 -0.08 0.00 -0.38 0.00 0.00 39.34 39.17 3k8m n TYR 562 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 3k8m s THR 563 N -1.95 0.06 0.01 -3.48 -1.32 -1.26 -5.03 115.64 102.67 3k8m s THR 563 Ca 0.00 -0.51 -0.20 0.00 -1.21 0.00 0.00 61.69 59.76 3k8m s THR 563 Cb 0.00 -0.81 -0.20 0.00 -1.51 0.00 0.00 72.50 69.98 3k8m s THR 563 CO 0.00 -0.28 1.17 0.44 -2.21 0.00 0.00 174.62 173.74 3k8m h ASP 564 N 3.44 0.46 -1.67 8.08 3.32 -2.03 -3.41 116.42 124.60 3k8m h ASP 564 Ca -0.30 -0.68 -0.64 0.00 0.02 0.00 0.00 57.03 55.44 3k8m h ASP 564 Cb 1.19 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3k8m h ASP 564 CO 0.43 1.06 1.28 0.29 -1.72 0.00 0.00 179.24 180.58 3k8m n LYS 565 N -4.35 1.71 -3.53 3.56 5.02 -1.26 -4.86 118.16 114.45 3k8m n LYS 565 Ca -0.09 0.55 -0.00 0.00 -2.02 0.00 0.00 58.31 56.75 3k8m n LYS 565 Cb 0.55 -2.68 -0.05 0.00 -0.02 0.00 0.00 35.03 32.83 3k8m n LYS 565 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3k8m s THR 566 N 6.06 -0.22 -0.21 -0.18 2.01 -1.26 -4.79 115.64 117.06 3k8m s THR 566 Ca 1.01 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.71 3k8m s THR 566 Cb -0.69 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 70.82 3k8m s THR 566 CO 0.48 0.00 1.09 -0.62 -0.69 0.00 0.00 174.62 174.88 3k8m s ASP 567 N 1.81 7.07 0.24 3.53 -1.08 -1.26 -4.91 116.67 122.08 3k8m s ASP 567 Ca -0.06 1.45 -0.04 0.00 -0.52 0.00 0.00 52.55 53.38 3k8m s ASP 567 Cb -0.04 -2.54 0.28 0.00 -1.46 0.00 0.00 42.92 39.15 3k8m s ASP 567 CO -0.16 -0.68 1.76 0.00 0.52 0.00 0.00 175.17 176.62 3k8m h ALA 568 N 7.59 1.08 -0.96 3.66 0.00 -1.99 -3.04 119.26 125.59 3k8m h ALA 568 Ca -0.21 -0.24 0.18 0.00 0.00 0.00 0.00 54.91 54.64 3k8m h ALA 568 Cb 1.07 -0.23 -0.11 0.00 0.00 0.00 0.00 17.79 18.53 3k8m h ALA 568 CO 0.97 0.60 0.55 1.79 0.00 0.00 0.00 179.25 183.16 3k8m h THR 569 N 0.88 0.69 -0.89 0.00 1.35 -2.00 -3.07 112.91 109.87 3k8m h THR 569 Ca 0.18 -0.24 0.17 0.00 -0.55 0.00 0.00 66.41 65.97 3k8m h THR 569 Cb 0.38 -0.07 -0.16 0.00 -1.73 0.00 0.00 68.15 66.57 3k8m h THR 569 CO 0.01 0.13 -0.28 0.58 -0.25 0.00 0.00 175.52 175.70 3k8m h VAL 570 N 0.70 0.08 0.00 6.82 2.07 -1.92 0.70 116.25 124.70 3k8m h VAL 570 Ca 0.55 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.07 3k8m h VAL 570 Cb 0.86 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3k8m h VAL 570 CO -0.39 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 176.96 3k8m n SER 571 N -5.54 0.00 -0.01 0.57 2.88 -1.16 -2.69 113.62 107.67 3k8m n SER 571 Ca 0.12 -0.10 -0.06 0.00 -1.33 0.00 0.00 58.87 57.50 3k8m n SER 571 Cb 0.43 -0.28 -0.13 0.00 -0.75 0.00 0.00 64.21 63.48 3k8m n SER 571 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3k8m n LYS 572 N -1.28 0.63 -0.55 -1.46 5.02 0.24 -4.44 118.16 116.32 3k8m n LYS 572 Ca 0.13 0.25 0.07 0.00 -2.02 0.00 0.00 58.31 56.73 3k8m n LYS 572 Cb 0.21 -1.77 0.19 0.00 -0.02 0.00 0.00 35.03 33.63 3k8m n LYS 572 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3k8m n ASN 573 N -2.97 1.77 -3.45 4.39 4.13 -0.59 -4.92 115.26 113.62 3k8m n ASN 573 Ca -0.16 -3.64 -0.22 0.00 1.68 0.00 0.00 54.58 52.24 3k8m n ASN 573 Cb 1.00 -0.50 -0.12 0.00 -1.54 0.00 0.00 39.78 38.63 3k8m n ASN 573 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3k8m s VAL 574 N -2.97 -0.27 0.32 2.41 1.01 -1.09 -5.03 120.40 114.78 3k8m s VAL 574 Ca 0.36 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.46 3k8m s VAL 574 Cb 0.35 -0.98 -0.13 0.00 0.00 0.00 0.00 36.38 35.62 3k8m s VAL 574 CO -0.06 -0.57 1.03 0.29 0.00 0.00 0.00 175.10 175.79 3k8m n LYS 575 N 5.26 1.42 -0.86 2.72 4.76 -1.26 -4.83 118.16 125.36 3k8m n LYS 575 Ca -0.03 0.50 -0.29 0.00 -2.87 0.00 0.00 58.31 55.62 3k8m n LYS 575 Cb 0.45 -1.92 0.23 0.00 -1.84 0.00 0.00 35.03 31.95 3k8m n LYS 575 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3k8m s THR 576 N -1.11 1.87 0.07 -0.18 -1.32 -1.26 -4.72 115.64 109.00 3k8m s THR 576 Ca 0.59 0.00 -0.36 0.00 -1.21 0.00 0.00 61.69 60.71 3k8m s THR 576 Cb -0.66 -2.30 -0.19 0.00 -1.51 0.00 0.00 72.50 67.84 3k8m s THR 576 CO 0.60 0.00 1.58 0.58 -2.21 0.00 0.00 174.62 175.16 3k8m h VAL 577 N -2.44 0.06 -0.81 5.08 2.07 -1.44 -0.23 116.25 118.54 3k8m h VAL 577 Ca -0.55 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.12 3k8m h VAL 577 Cb 1.33 0.06 -0.15 0.00 -1.52 0.00 0.00 31.29 31.01 3k8m h VAL 577 CO 0.49 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 177.85 3k8m h ALA 578 N -1.02 0.45 -0.85 1.67 0.00 -1.85 0.49 119.26 118.15 3k8m h ALA 578 Ca -0.10 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3k8m h ALA 578 Cb 0.92 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 3k8m h ALA 578 CO 0.09 -0.45 0.48 -0.44 0.00 0.00 0.00 179.25 178.93 3k8m h ASP 579 N -0.02 1.04 0.65 0.00 3.32 -1.82 -2.86 116.42 116.74 3k8m h ASP 579 Ca 0.37 -0.08 -0.20 0.00 0.02 0.00 0.00 57.03 57.15 3k8m h ASP 579 Cb 0.59 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3k8m h ASP 579 CO -0.84 0.82 -0.89 1.56 -1.72 0.00 0.00 179.24 178.18 3k8m h GLN 580 N 1.18 0.15 -0.74 3.56 4.20 0.14 -2.91 115.11 120.69 3k8m h GLN 580 Ca 0.30 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3k8m h GLN 580 Cb -0.00 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3k8m h GLN 580 CO -0.05 0.94 0.00 1.04 -0.67 0.00 0.00 178.83 180.09 3k8m n GLN 581 N -3.62 0.69 0.00 1.46 6.02 0.13 -2.53 117.38 119.54 3k8m n GLN 581 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 3k8m n GLN 581 Cb 0.82 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.75 3k8m n GLN 581 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k8m n ALA 582 N 0.19 1.40 -2.66 -1.58 0.00 -1.19 -5.03 120.51 111.64 3k8m n ALA 582 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 3k8m n ALA 582 Cb 0.19 0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.66 3k8m n ALA 582 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3k8m s ASP 583 N -1.85 6.33 0.27 0.00 2.15 -1.05 -4.94 116.67 117.57 3k8m s ASP 583 Ca 0.00 -0.35 -0.06 0.00 0.43 0.00 0.00 52.55 52.57 3k8m s ASP 583 Cb 0.00 -2.46 0.49 0.00 -0.30 0.00 0.00 42.92 40.65 3k8m s ASP 583 CO 0.00 -1.34 1.59 0.74 -0.17 0.00 0.00 175.17 175.98 3k8m h THR 584 N 6.04 0.12 0.00 1.71 2.02 -1.94 0.33 112.91 121.20 3k8m h THR 584 Ca -0.26 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3k8m h THR 584 Cb 1.07 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3k8m h THR 584 CO 1.13 0.00 0.00 1.41 0.37 0.00 0.00 175.52 178.44 3k8m n HIS 585 N -5.51 0.00 -2.04 3.16 8.25 -1.26 -4.76 115.22 113.05 3k8m n HIS 585 Ca 0.16 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.21 3k8m n HIS 585 Cb 0.53 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 3k8m n HIS 585 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3k8m s SER 586 N -2.00 6.69 0.50 0.41 1.04 0.12 -4.89 113.70 115.57 3k8m s SER 586 Ca 0.34 2.63 0.29 0.00 0.48 0.00 0.00 55.95 59.69 3k8m s SER 586 Cb 0.16 -2.62 1.40 0.00 0.10 0.00 0.00 66.02 65.05 3k8m s SER 586 CO 0.26 -0.67 1.84 0.25 0.98 0.00 0.00 173.24 175.90 3k8m h LEU 587 N 5.03 0.12 0.34 2.42 5.85 -1.88 0.41 115.31 127.60 3k8m h LEU 587 Ca -0.46 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 3k8m h LEU 587 Cb 1.22 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3k8m h LEU 587 CO 0.77 0.03 -0.16 0.25 -0.34 0.00 0.00 178.44 178.99 3k8m h LEU 588 N 0.11 -0.38 -2.78 2.25 5.85 -1.87 -2.32 115.31 116.17 3k8m h LEU 588 Ca 0.51 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.15 3k8m h LEU 588 Cb 1.80 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.93 3k8m h LEU 588 CO -0.08 -0.16 -0.00 0.78 -0.34 0.00 0.00 178.44 178.64 3k8m h ASN 589 N -0.60 0.00 -0.15 1.25 4.21 -1.17 0.24 115.58 119.36 3k8m h ASN 589 Ca -0.05 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.39 3k8m h ASN 589 Cb 0.44 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.63 3k8m h ASN 589 CO 0.08 0.00 -0.18 0.40 -1.29 0.00 0.00 177.43 176.44 3k8m h ILE 590 N 0.00 1.35 -0.75 2.81 5.03 -1.10 -1.99 117.51 122.85 3k8m h ILE 590 Ca -0.00 -1.37 0.03 0.00 -0.12 0.00 0.00 64.86 63.40 3k8m h ILE 590 Cb 0.04 1.90 -0.05 0.00 -3.03 0.00 0.00 36.82 35.68 3k8m h ILE 590 CO 0.00 0.41 0.48 1.88 -0.68 0.00 0.00 178.15 180.23 3k8m h TYR 591 N 0.02 0.89 0.00 1.37 -1.99 -0.05 0.69 116.97 117.90 3k8m h TYR 591 Ca 0.02 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 3k8m h TYR 591 Cb 0.73 -0.29 -0.00 0.00 2.00 0.00 0.00 36.73 39.17 3k8m h TYR 591 CO 0.09 0.51 -0.13 0.74 -0.00 0.00 0.00 178.16 179.37 3k8m h PHE 592 N 0.93 0.00 0.19 4.88 0.04 -1.07 -1.24 116.94 120.66 3k8m h PHE 592 Ca 0.30 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.06 3k8m h PHE 592 Cb 0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 3k8m h PHE 592 CO -0.04 0.13 -0.09 0.77 -0.60 0.00 0.00 178.31 178.48 3k8m h SER 593 N 0.00 -0.22 -0.75 2.17 0.02 -0.36 -2.88 113.55 111.54 3k8m h SER 593 Ca -0.00 0.01 0.17 0.00 -0.84 0.00 0.00 61.79 61.12 3k8m h SER 593 Cb 0.23 0.06 -0.12 0.00 0.14 0.00 0.00 62.40 62.71 3k8m h SER 593 CO 0.02 0.17 0.15 -0.07 -1.14 0.00 0.00 176.83 175.95 3k8m h LEU 594 N -0.90 -0.06 -0.75 5.07 3.38 -0.86 0.45 115.31 121.63 3k8m h LEU 594 Ca -0.03 0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 3k8m h LEU 594 Cb 0.20 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3k8m h LEU 594 CO 0.04 -0.08 -0.46 0.71 0.09 0.00 0.00 178.44 178.74 3k8m h THR 595 N 0.23 1.32 -0.55 0.22 1.35 -1.36 -0.64 112.91 113.48 3k8m h THR 595 Ca 0.42 -1.66 -0.07 0.00 -0.55 0.00 0.00 66.41 64.56 3k8m h THR 595 Cb 0.75 1.71 -0.02 0.00 -1.73 0.00 0.00 68.15 68.86 3k8m h THR 595 CO -0.55 0.50 0.07 -0.09 -0.25 0.00 0.00 175.52 175.21 3k8m h ARG 596 N 0.31 0.92 0.79 4.72 2.43 -1.02 -1.75 114.38 120.77 3k8m h ARG 596 Ca 0.02 -0.25 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 3k8m h ARG 596 Cb 0.93 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3k8m h ARG 596 CO 0.08 0.89 -0.44 1.25 -1.51 0.00 0.00 179.97 180.24 3k8m h LEU 597 N 0.80 -1.09 -1.75 3.80 5.85 -0.65 -2.55 115.31 119.72 3k8m h LEU 597 Ca 0.16 0.05 0.26 0.00 0.84 0.00 0.00 57.88 59.20 3k8m h LEU 597 Cb 0.43 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 3k8m h LEU 597 CO 0.01 -0.70 0.68 -0.09 -0.34 0.00 0.00 178.44 178.00 3k8m h ARG 598 N -1.13 0.17 -0.00 1.25 2.43 -1.04 0.38 114.38 116.43 3k8m h ARG 598 Ca -0.11 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3k8m h ARG 598 Cb 0.89 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3k8m h ARG 598 CO 0.14 0.11 -0.08 0.09 -1.51 0.00 0.00 179.97 178.72 3k8m n ASN 599 N -4.38 0.42 -0.06 -3.80 5.03 -0.67 -3.40 115.26 108.40 3k8m n ASN 599 Ca 0.21 -0.64 -0.07 0.00 0.87 0.00 0.00 54.58 54.96 3k8m n ASN 599 Cb 0.94 -0.08 -0.08 0.00 -1.02 0.00 0.00 39.78 39.53 3k8m n ASN 599 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3k8m n THR 600 N -0.93 0.81 -3.62 3.41 -2.24 0.13 -3.62 114.28 108.22 3k8m n THR 600 Ca 0.16 -0.44 -0.40 0.00 -2.27 0.00 0.00 64.05 61.09 3k8m n THR 600 Cb 0.26 -0.78 -0.11 0.00 -2.10 0.00 0.00 70.33 67.59 3k8m n THR 600 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3k8m s TYR 601 N -2.28 3.24 0.32 4.78 1.51 -0.80 -4.98 117.35 119.13 3k8m s TYR 601 Ca -0.10 -0.95 0.07 0.00 -1.01 0.00 0.00 57.07 55.09 3k8m s TYR 601 Cb 0.04 -2.42 0.77 0.00 -0.11 0.00 0.00 41.96 40.24 3k8m s TYR 601 CO 0.44 -0.63 1.81 -1.35 -1.11 0.00 0.00 175.55 174.70 3k8m h PRO 602 N 8.41 0.73 -0.13 -1.71 0.11 -1.91 0.21 132.00 137.70 3k8m h PRO 602 Ca -0.26 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.84 3k8m h PRO 602 Cb 1.11 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3k8m h PRO 602 CO 0.66 0.48 0.22 0.00 -0.21 0.00 0.00 178.00 179.15 3k8m h ALA 603 N 1.62 1.60 0.01 -0.75 0.00 -1.85 0.14 119.26 120.03 3k8m h ALA 603 Ca 0.54 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 55.03 3k8m h ALA 603 Cb 0.86 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 3k8m h ALA 603 CO -0.32 -0.29 -2.45 1.28 0.00 0.00 0.00 179.25 177.48 3k8m n LEU 604 N -3.48 2.57 -0.27 0.00 4.32 0.51 -2.71 117.00 117.93 3k8m n LEU 604 Ca 0.01 0.06 -0.01 0.00 -0.02 0.00 0.00 56.01 56.05 3k8m n LEU 604 Cb 0.32 -0.89 0.19 0.00 -1.62 0.00 0.00 43.42 41.42 3k8m n LEU 604 CO 0.23 0.79 1.24 0.00 -1.22 0.00 0.00 177.39 178.43 3k8m h ALA 605 N -0.36 1.36 0.00 -1.18 0.00 -0.18 -3.37 119.26 115.54 3k8m h ALA 605 Ca -0.61 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.13 3k8m h ALA 605 Cb 1.79 -0.34 -0.14 0.00 0.00 0.00 0.00 17.79 19.11 3k8m h ALA 605 CO -0.20 0.57 -0.42 -0.85 0.00 0.00 0.00 179.25 178.35 3k8m n GLU 606 N -4.39 0.00 -2.05 0.00 0.28 0.42 -4.55 120.64 110.35 3k8m n GLU 606 Ca 0.09 -0.98 -0.28 0.00 -0.16 0.00 0.00 57.16 55.83 3k8m n GLU 606 Cb 0.04 0.12 0.09 0.00 1.43 0.00 0.00 31.44 33.13 3k8m n GLU 606 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 3k8m s GLY 607 N -0.98 1.66 0.00 -1.84 0.00 -1.02 -4.90 107.32 100.22 3k8m s GLY 607 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.94 3k8m s GLY 607 CO -0.04 -0.37 0.00 0.70 0.00 0.00 0.00 173.10 173.39 3k8m n ASN 608 N -3.19 0.00 0.00 1.64 4.13 0.37 -4.69 115.26 113.52 3k8m n ASN 608 Ca 0.09 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.35 3k8m n ASN 608 Cb 0.61 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.85 3k8m n ASN 608 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3k8m n THR 610 N 0.00 0.00 -1.68 3.41 -2.24 -0.71 -1.93 114.28 111.13 3k8m n THR 610 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 3k8m n THR 610 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 3k8m n THR 610 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3k8m n LYS 611 N -0.71 1.63 -2.61 -0.78 5.02 -1.26 -0.29 118.16 119.16 3k8m n LYS 611 Ca 0.00 0.59 -0.40 0.00 -2.02 0.00 0.00 58.31 56.48 3k8m n LYS 611 Cb 0.00 -2.32 -0.05 0.00 -0.02 0.00 0.00 35.03 32.64 3k8m n LYS 611 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3k8m s HIS 612 N -1.27 3.76 0.32 2.13 5.65 -1.25 -4.65 115.29 119.98 3k8m s HIS 612 Ca 0.65 1.78 0.02 0.00 0.25 0.00 0.00 55.06 57.76 3k8m s HIS 612 Cb -0.49 -3.14 0.57 0.00 -1.18 0.00 0.00 32.58 28.34 3k8m s HIS 612 CO 0.55 -0.10 1.94 0.66 -0.65 0.00 0.00 174.74 177.13 3k8m h SER 613 N 4.32 0.85 0.00 9.88 4.64 -1.95 -3.36 113.55 127.93 3k8m h SER 613 Ca -0.45 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3k8m h SER 613 Cb 1.21 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3k8m h SER 613 CO 0.69 0.56 -0.34 0.52 -0.87 0.00 0.00 176.83 177.39 3k8m n VAL 614 N -4.47 0.66 -2.44 0.95 0.31 -1.26 -4.89 118.33 107.20 3k8m n VAL 614 Ca 0.12 0.35 -0.42 0.00 -0.01 0.00 0.00 64.34 64.38 3k8m n VAL 614 Cb 0.17 -1.90 -0.02 0.00 -0.91 0.00 0.00 33.84 31.17 3k8m n VAL 614 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3k8m s TYR 615 N -1.71 2.43 0.00 3.52 2.02 -1.26 -4.55 117.35 117.80 3k8m s TYR 615 Ca -0.10 0.53 0.00 0.00 -0.37 0.00 0.00 57.07 57.13 3k8m s TYR 615 Cb 0.01 -4.41 0.00 0.00 -0.40 0.00 0.00 41.96 37.17 3k8m s TYR 615 CO 0.15 -1.82 0.00 0.27 -1.57 0.00 0.00 175.55 172.57 3k8m n ASN 616 N 9.01 0.00 0.08 2.29 0.23 -1.26 -4.05 115.26 121.56 3k8m n ASN 616 Ca 0.12 -0.40 0.18 0.00 -0.53 0.00 0.00 54.58 53.96 3k8m n ASN 616 Cb 0.49 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 38.91 3k8m n ASN 616 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3k8m h GLU 617 N 0.00 0.00 -0.47 -3.83 9.09 -1.78 -1.80 114.58 115.79 3k8m h GLU 617 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 3k8m h GLU 617 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 3k8m h GLU 617 CO 0.00 0.00 0.14 0.66 0.05 0.00 0.00 179.01 179.86 3k8m h SER 618 N 0.00 0.70 -0.16 3.06 4.64 -1.89 -2.70 113.55 117.21 3k8m h SER 618 Ca 0.19 -0.21 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 3k8m h SER 618 Cb 0.82 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.68 3k8m h SER 618 CO -0.00 0.73 0.14 0.00 -0.87 0.00 0.00 176.83 176.82 3k8m n GLN 619 N -4.51 1.26 0.00 4.77 1.13 -0.67 -4.36 117.38 115.00 3k8m n GLN 619 Ca 0.01 -0.52 0.12 0.00 -1.94 0.00 0.00 57.00 54.67 3k8m n GLN 619 Cb 0.20 -1.20 0.72 0.00 0.11 0.00 0.00 30.24 30.07 3k8m n GLN 619 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 3k8m n GLU 620 N 1.03 0.98 -0.00 -1.09 0.28 -1.02 -2.14 120.64 118.68 3k8m n GLU 620 Ca 0.10 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.13 3k8m n GLU 620 Cb 0.54 -1.39 -0.04 0.00 1.43 0.00 0.00 31.44 31.98 3k8m n GLU 620 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3k8m n LYS 621 N -0.89 4.01 0.00 3.44 4.81 -1.26 -4.47 118.16 123.79 3k8m n LYS 621 Ca 0.18 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 3k8m n LYS 621 Cb 0.08 -0.89 0.00 0.00 0.02 0.00 0.00 35.03 34.25 3k8m n LYS 621 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3k8m n ASP 622 N -1.25 0.10 -2.38 3.14 10.43 -1.24 -4.85 116.55 120.50 3k8m n ASP 622 Ca 0.01 -0.07 -0.04 0.00 2.57 0.00 0.00 54.79 57.26 3k8m n ASP 622 Cb 0.12 0.16 0.05 0.00 1.84 0.00 0.00 41.12 43.29 3k8m n ASP 622 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3k8m n TYR 623 N -0.17 1.33 -0.01 1.24 4.01 -0.91 -4.94 117.16 117.71 3k8m n TYR 623 Ca 0.00 -1.90 -0.12 0.00 -0.16 0.00 0.00 57.90 55.72 3k8m n TYR 623 Cb 0.00 -0.24 -0.06 0.00 -0.31 0.00 0.00 39.34 38.73 3k8m n TYR 623 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3k8m h LYS 624 N 2.23 -0.47 0.00 -0.72 3.64 -1.78 -2.05 116.57 117.42 3k8m h LYS 624 Ca -0.04 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3k8m h LYS 624 Cb 1.40 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 3k8m h LYS 624 CO 0.28 -0.31 0.00 -2.30 -2.27 0.00 0.00 179.45 174.85 3k8m n PRO 625 N -5.43 0.00 -3.66 1.90 -0.02 -1.26 -0.80 135.00 125.73 3k8m n PRO 625 Ca -0.04 0.10 -0.37 0.00 -2.02 0.00 0.00 63.50 61.18 3k8m n PRO 625 Cb 0.36 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.24 3k8m n PRO 625 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3k8m s ILE 626 N -2.19 5.27 -0.24 4.25 1.09 -0.77 0.12 121.20 128.73 3k8m s ILE 626 Ca 0.00 0.15 0.01 0.00 -1.10 0.00 0.00 60.65 59.71 3k8m s ILE 626 Cb 0.00 -3.47 0.04 0.00 -1.06 0.00 0.00 42.46 37.97 3k8m s ILE 626 CO 0.00 0.33 -0.12 0.00 -0.10 0.00 0.00 174.94 175.05 3k8m s ALA 627 N 1.24 2.54 0.04 9.38 0.00 -0.04 -1.16 121.76 133.76 3k8m s ALA 627 Ca 0.07 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.51 3k8m s ALA 627 Cb -0.14 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 3k8m s ALA 627 CO 0.06 -0.85 -0.06 0.00 0.00 0.00 0.00 175.76 174.91 3k8m s ALA 628 N 1.22 0.43 0.14 0.00 0.00 -1.26 -0.35 121.76 121.94 3k8m s ALA 628 Ca -0.02 -0.75 -0.25 0.00 0.00 0.00 0.00 51.96 50.93 3k8m s ALA 628 Cb -0.17 0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.11 3k8m s ALA 628 CO -0.07 -0.10 0.86 1.67 0.00 0.00 0.00 175.76 178.12 3k8m s TRP 629 N -1.64 -0.24 0.00 0.00 -2.14 -0.51 -3.88 118.94 110.54 3k8m s TRP 629 Ca -0.10 -0.04 0.00 0.00 2.66 0.00 0.00 56.10 58.61 3k8m s TRP 629 Cb -0.08 0.62 0.00 0.00 -3.10 0.00 0.00 33.47 30.90 3k8m s TRP 629 CO -0.01 -0.83 0.00 0.66 -2.66 0.00 0.00 176.95 174.11 3k8m n TYR 630 N -0.41 -0.72 0.00 1.66 0.53 0.60 -0.79 117.16 118.04 3k8m n TYR 630 Ca -0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.80 3k8m n TYR 630 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.92 3k8m n TYR 630 CO 0.00 0.00 0.00 -2.37 -1.02 0.00 0.00 176.86 173.47 3k8m n THR 632 N -0.24 0.00 -3.70 -0.72 5.66 -0.81 -1.74 114.28 112.73 3k8m n THR 632 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 3k8m n THR 632 Cb 0.00 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.63 3k8m n THR 632 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 3k8m s LYS 633 N -1.61 0.06 7.85 1.09 2.36 -0.86 -0.48 119.74 128.15 3k8m s LYS 633 Ca 0.00 0.49 0.00 0.00 -2.55 0.00 0.00 55.97 53.91 3k8m s LYS 633 Cb 0.00 -0.24 0.00 0.00 -1.05 0.00 0.00 37.83 36.54 3k8m s LYS 633 CO 0.00 -0.25 0.00 -0.25 1.55 0.00 0.00 175.35 176.40 3k8m n ASP 634 N 4.91 0.00 -1.74 1.43 8.00 -1.26 -1.67 116.55 126.22 3k8m n ASP 634 Ca -0.13 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.33 3k8m n ASP 634 Cb 0.50 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.89 3k8m n ASP 634 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3k8m n ASN 635 N 6.67 4.39 -4.27 -2.24 5.15 -1.26 -4.89 115.26 118.82 3k8m n ASN 635 Ca 0.00 -3.27 -0.35 0.00 -0.60 0.00 0.00 54.58 50.36 3k8m n ASN 635 Cb 0.00 -0.70 -0.14 0.00 -0.53 0.00 0.00 39.78 38.41 3k8m n ASN 635 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3k8m s GLU 636 N -3.01 3.11 -0.06 1.20 2.12 -0.67 -4.97 118.70 116.42 3k8m s GLU 636 Ca 0.52 -0.80 0.04 0.00 0.36 0.00 0.00 54.97 55.08 3k8m s GLU 636 Cb 0.42 -3.05 -0.02 0.00 0.26 0.00 0.00 34.13 31.74 3k8m s GLU 636 CO 0.11 -0.32 -0.16 0.21 -0.54 0.00 0.00 175.26 174.57 3k8m s LYS 637 N 1.42 2.59 0.08 4.30 2.20 -1.26 -2.02 119.74 127.05 3k8m s LYS 637 Ca 0.03 -0.72 0.06 0.00 -0.36 0.00 0.00 55.97 54.98 3k8m s LYS 637 Cb -0.16 -2.37 -0.03 0.00 -1.51 0.00 0.00 37.83 33.76 3k8m s LYS 637 CO -0.03 0.55 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.84 3k8m s LEU 638 N -0.55 2.29 -0.13 5.43 1.43 -1.26 -1.09 118.68 124.80 3k8m s LEU 638 Ca 0.08 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 3k8m s LEU 638 Cb -0.11 -0.63 -0.02 0.00 0.03 0.00 0.00 46.19 45.46 3k8m s LEU 638 CO 0.01 -0.04 -0.09 -0.22 0.23 0.00 0.00 176.35 176.24 3k8m s LEU 639 N -1.82 2.96 -0.17 1.79 2.96 0.79 -4.38 118.68 120.81 3k8m s LEU 639 Ca 0.01 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3k8m s LEU 639 Cb -0.10 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 44.93 3k8m s LEU 639 CO 0.03 0.19 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.37 3k8m s VAL 640 N 0.22 1.99 -0.08 1.68 1.01 0.03 -1.05 120.40 124.20 3k8m s VAL 640 Ca -0.06 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3k8m s VAL 640 Cb -0.15 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 3k8m s VAL 640 CO 0.04 0.53 -0.22 -0.63 0.00 0.00 0.00 175.10 174.82 3k8m s ILE 641 N 1.29 1.87 -0.01 2.22 -1.09 -0.58 -1.43 121.20 123.48 3k8m s ILE 641 Ca 0.04 -0.93 0.02 0.00 -2.23 0.00 0.00 60.65 57.55 3k8m s ILE 641 Cb -0.13 -1.62 -0.01 0.00 -1.58 0.00 0.00 42.46 39.13 3k8m s ILE 641 CO -0.12 0.52 -0.07 -1.00 -1.23 0.00 0.00 174.94 173.04 3k8m s HIS 642 N 0.24 0.65 -0.44 3.97 3.76 0.52 -0.80 115.29 123.19 3k8m s HIS 642 Ca -0.13 -0.12 -0.08 0.00 -0.15 0.00 0.00 55.06 54.58 3k8m s HIS 642 Cb -0.16 -0.42 0.11 0.00 1.11 0.00 0.00 32.58 33.22 3k8m s HIS 642 CO 0.06 -0.01 0.29 1.21 -0.85 0.00 0.00 174.74 175.44 3k8m s ASN 643 N -0.17 5.59 -0.12 1.40 2.47 -0.54 -0.86 114.94 122.71 3k8m s ASN 643 Ca 0.03 -1.82 -0.06 0.00 0.42 0.00 0.00 52.86 51.43 3k8m s ASN 643 Cb -0.03 -1.96 -0.21 0.00 -1.45 0.00 0.00 41.25 37.60 3k8m s ASN 643 CO -0.00 -0.62 3.47 0.49 -3.72 0.00 0.00 177.10 176.71 3k8m n PHE 644 N 4.84 0.33 -3.46 0.43 3.01 0.31 -2.01 117.46 120.92 3k8m n PHE 644 Ca -0.07 -1.61 -0.12 0.00 1.01 0.00 0.00 57.45 56.65 3k8m n PHE 644 Cb 0.41 -1.58 -0.03 0.00 -0.01 0.00 0.00 39.48 38.27 3k8m n PHE 644 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3k8m s GLY 645 N 1.72 -0.57 0.15 1.37 0.00 -1.26 -3.36 107.32 105.37 3k8m s GLY 645 Ca 0.66 0.78 0.24 0.00 0.00 0.00 0.00 44.72 46.40 3k8m s GLY 645 CO -0.04 0.35 1.42 -1.33 0.00 0.00 0.00 173.10 173.50 3k8m h GLY 646 N 2.16 0.00 -6.48 0.20 0.00 -1.91 0.29 103.07 97.33 3k8m h GLY 646 Ca -0.30 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.43 3k8m h GLY 646 CO 0.36 0.00 0.50 -1.59 0.00 0.00 0.00 176.54 175.82 3k8m s THR 647 N -3.16 4.65 1.20 4.70 2.01 -1.26 -3.87 115.64 119.90 3k8m s THR 647 Ca 0.07 1.04 -0.17 0.00 0.31 0.00 0.00 61.69 62.94 3k8m s THR 647 Cb 0.13 -4.28 0.27 0.00 0.01 0.00 0.00 72.50 68.62 3k8m s THR 647 CO 0.69 -0.50 0.60 0.00 -0.69 0.00 0.00 174.62 174.72 3k8m n ALA 648 N 6.63 -2.30 -3.61 7.40 0.00 -1.26 -4.67 120.51 122.69 3k8m n ALA 648 Ca 0.05 -1.39 -0.07 0.00 0.00 0.00 0.00 53.44 52.03 3k8m n ALA 648 Cb 0.48 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 3k8m n ALA 648 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3k8m s GLN 650 N -4.15 0.37 -0.07 0.00 -0.21 -1.25 -4.99 119.66 109.36 3k8m s GLN 650 Ca 0.48 1.05 0.00 0.00 0.02 0.00 0.00 55.36 56.91 3k8m s GLN 650 Cb -0.09 0.34 0.02 0.00 1.00 0.00 0.00 33.01 34.29 3k8m s GLN 650 CO 0.41 -0.29 -0.04 -0.48 -2.12 0.00 0.00 175.29 172.76 3k8m s LEU 651 N 2.65 1.10 0.36 2.90 0.05 0.20 -4.93 118.68 121.03 3k8m s LEU 651 Ca -0.00 -0.17 -0.28 0.00 0.05 0.00 0.00 54.13 53.74 3k8m s LEU 651 Cb -0.12 -0.56 -0.10 0.00 -2.05 0.00 0.00 46.19 43.36 3k8m s LEU 651 CO -0.14 -0.10 1.32 -2.16 -0.55 0.00 0.00 176.35 174.72 3k8m s PRO 652 N 1.37 4.18 -0.24 1.48 0.04 -1.26 -0.26 135.00 140.31 3k8m s PRO 652 Ca -0.03 2.22 0.02 0.00 0.04 0.00 0.00 61.00 63.25 3k8m s PRO 652 Cb -0.13 -2.94 0.05 0.00 0.04 0.00 0.00 34.50 31.52 3k8m s PRO 652 CO -0.03 -0.33 -0.12 -0.51 0.04 0.00 0.00 177.00 176.05 3k8m s LEU 653 N -2.07 3.05 -0.04 -3.56 1.43 0.21 -4.90 118.68 112.80 3k8m s LEU 653 Ca 0.52 -1.22 0.06 0.00 -1.03 0.00 0.00 54.13 52.47 3k8m s LEU 653 Cb -0.39 -1.47 0.25 0.00 0.03 0.00 0.00 46.19 44.60 3k8m s LEU 653 CO 0.52 -0.16 1.05 0.41 0.23 0.00 0.00 176.35 178.40 3k8m n THR 654 N 4.51 0.65 -3.85 5.49 -1.04 -1.26 -4.51 114.28 114.27 3k8m n THR 654 Ca -0.15 -0.41 -0.31 0.00 -2.04 0.00 0.00 64.05 61.14 3k8m n THR 654 Cb 0.44 -0.14 -0.04 0.00 -1.82 0.00 0.00 70.33 68.77 3k8m n THR 654 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3k8m s ASP 655 N -0.62 6.40 -1.19 8.00 1.01 -1.26 -5.00 116.67 124.01 3k8m s ASP 655 Ca 0.18 0.36 -0.12 0.00 0.71 0.00 0.00 52.55 53.67 3k8m s ASP 655 Cb 0.12 -1.99 -0.07 0.00 1.01 0.00 0.00 42.92 41.99 3k8m s ASP 655 CO 0.08 0.12 2.32 0.29 0.21 0.00 0.00 175.17 178.20 3k8m n LYS 656 N 0.16 2.55 -1.56 8.23 5.02 -1.26 -4.96 118.16 126.34 3k8m n LYS 656 Ca -0.04 -1.96 -0.44 0.00 -2.02 0.00 0.00 58.31 53.85 3k8m n LYS 656 Cb 0.51 -2.81 -0.01 0.00 -0.02 0.00 0.00 35.03 32.71 3k8m n LYS 656 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3k8m n ILE 657 N 4.59 2.05 0.00 -0.18 2.08 -1.26 -0.99 119.36 125.65 3k8m n ILE 657 Ca 0.56 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 63.37 3k8m n ILE 657 Cb 0.27 -0.90 0.00 0.00 -0.75 0.00 0.00 39.64 38.26 3k8m n ILE 657 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3k8m n GLU 658 N 0.60 2.44 -3.54 0.38 2.13 -1.03 -4.69 120.64 116.93 3k8m n GLU 658 Ca 0.10 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.83 3k8m n GLU 658 Cb 0.34 -0.85 -0.04 0.00 0.27 0.00 0.00 31.44 31.16 3k8m n GLU 658 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3k8m s LYS 659 N -1.70 0.70 -0.24 5.31 2.20 -1.19 -4.99 119.74 119.83 3k8m s LYS 659 Ca 0.00 -0.06 -0.11 0.00 -0.36 0.00 0.00 55.97 55.44 3k8m s LYS 659 Cb 0.00 0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 36.60 3k8m s LYS 659 CO 0.00 -0.27 0.18 0.08 -0.36 0.00 0.00 175.35 174.99 3k8m s VAL 660 N -2.05 5.34 -0.25 4.02 1.01 -1.26 -1.39 120.40 125.82 3k8m s VAL 660 Ca 0.01 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.23 3k8m s VAL 660 Cb -0.01 -3.52 -0.17 0.00 0.00 0.00 0.00 36.38 32.68 3k8m s VAL 660 CO -0.03 0.33 -0.20 0.18 0.00 0.00 0.00 175.10 175.38 3k8m n LEU 661 N 4.35 2.94 -3.86 3.92 4.32 0.88 0.10 117.00 129.64 3k8m n LEU 661 Ca -0.14 -0.11 -0.12 0.00 -0.02 0.00 0.00 56.01 55.62 3k8m n LEU 661 Cb 0.52 -0.92 -0.12 0.00 -1.62 0.00 0.00 43.42 41.28 3k8m n LEU 661 CO 0.35 0.93 -0.26 0.12 -1.22 0.00 0.00 177.39 177.31 3k8m s PHE 662 N -2.52 -0.03 0.01 -1.77 5.36 -1.08 -3.90 117.98 114.04 3k8m s PHE 662 Ca -0.34 0.09 0.01 0.00 -0.96 0.00 0.00 56.93 55.72 3k8m s PHE 662 Cb 0.09 -0.01 -0.01 0.00 -0.34 0.00 0.00 43.02 42.75 3k8m s PHE 662 CO 0.61 -0.11 -0.02 0.08 -1.46 0.00 0.00 175.22 174.31 3k8m s VAL 663 N -0.39 0.15 -0.21 3.12 1.01 -1.26 -0.77 120.40 122.06 3k8m s VAL 663 Ca -0.05 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 3k8m s VAL 663 Cb -0.03 -0.19 0.10 0.00 0.00 0.00 0.00 36.38 36.26 3k8m s VAL 663 CO 0.00 -0.14 0.44 0.21 0.00 0.00 0.00 175.10 175.61 3k8m s ASN 664 N -0.53 -0.32 0.00 3.32 2.47 -0.51 -4.99 114.94 114.38 3k8m s ASN 664 Ca -0.05 0.99 0.00 0.00 0.42 0.00 0.00 52.86 54.22 3k8m s ASN 664 Cb -0.04 1.44 0.00 0.00 -1.45 0.00 0.00 41.25 41.20 3k8m s ASN 664 CO -0.00 -0.24 0.00 0.61 -3.72 0.00 0.00 177.10 173.75 3k8m n GLY 665 N 5.40 -3.28 3.62 1.21 0.00 -1.26 -0.21 105.19 110.67 3k8m n GLY 665 Ca -0.08 -1.82 -0.44 0.00 0.00 0.00 0.00 46.02 43.68 3k8m n GLY 665 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k8m n GLU 666 N -0.51 2.22 -3.84 1.61 2.13 -1.26 -4.85 120.64 116.14 3k8m n GLU 666 Ca 0.00 0.73 -0.29 0.00 0.66 0.00 0.00 57.16 58.26 3k8m n GLU 666 Cb 0.00 -3.00 -0.16 0.00 0.27 0.00 0.00 31.44 28.55 3k8m n GLU 666 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3k8m s THR 667 N 6.27 1.01 -0.01 6.31 -4.23 -1.25 0.13 115.64 123.87 3k8m s THR 667 Ca 0.96 -0.80 0.07 0.00 -1.18 0.00 0.00 61.69 60.74 3k8m s THR 667 Cb -0.47 -1.36 -0.02 0.00 1.34 0.00 0.00 72.50 71.99 3k8m s THR 667 CO 0.41 -0.09 -0.21 -1.10 -0.54 0.00 0.00 174.62 173.10 3k8m s GLN 668 N 1.64 1.68 0.00 3.99 -0.21 0.17 -2.63 119.66 124.31 3k8m s GLN 668 Ca -0.02 -0.76 0.05 0.00 0.02 0.00 0.00 55.36 54.64 3k8m s GLN 668 Cb -0.17 -1.64 -0.03 0.00 1.00 0.00 0.00 33.01 32.17 3k8m s GLN 668 CO -0.07 0.45 -0.12 -1.14 -2.12 0.00 0.00 175.29 172.28 3k8m s GLN 669 N -0.53 2.38 -0.20 2.91 0.74 0.47 0.55 119.66 125.97 3k8m s GLN 669 Ca 0.08 -0.80 -0.01 0.00 0.05 0.00 0.00 55.36 54.68 3k8m s GLN 669 Cb -0.08 -2.36 0.05 0.00 1.10 0.00 0.00 33.01 31.72 3k8m s GLN 669 CO -0.01 0.59 -0.02 1.21 -0.55 0.00 0.00 175.29 176.51 3k8m s ASN 670 N -1.25 3.21 -0.32 6.67 2.47 -0.97 -1.53 114.94 123.23 3k8m s ASN 670 Ca 0.15 -0.90 -0.06 0.00 0.42 0.00 0.00 52.86 52.46 3k8m s ASN 670 Cb -0.11 -0.89 0.03 0.00 -1.45 0.00 0.00 41.25 38.83 3k8m s ASN 670 CO 0.05 -0.25 0.09 -0.89 -3.72 0.00 0.00 177.10 172.38 3k8m s THR 671 N 1.63 3.80 -0.11 -5.21 2.01 -1.26 -2.73 115.64 113.77 3k8m s THR 671 Ca -0.02 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.02 3k8m s THR 671 Cb -0.17 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 3k8m s THR 671 CO -0.07 -0.07 -0.19 -0.47 -0.69 0.00 0.00 174.62 173.12 3k8m s TYR 676 N 1.43 2.67 -0.03 4.92 5.04 -1.26 -5.23 117.35 124.88 3k8m s TYR 676 Ca -0.00 -0.88 0.02 0.00 -2.44 0.00 0.00 57.07 53.77 3k8m s TYR 676 Cb -0.19 -1.77 0.01 0.00 0.35 0.00 0.00 41.96 40.37 3k8m s TYR 676 CO 0.02 -0.33 -0.07 0.99 -1.34 0.00 0.00 175.55 174.82 3k8m s THR 677 N 0.34 0.67 -0.11 4.34 2.01 -1.10 -0.62 115.64 121.17 3k8m s THR 677 Ca -0.16 -0.27 -0.08 0.00 0.31 0.00 0.00 61.69 61.49 3k8m s THR 677 Cb -0.17 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 3k8m s THR 677 CO 0.08 0.23 0.17 -0.22 -0.69 0.00 0.00 174.62 174.18 3k8m s LEU 678 N 0.40 4.39 -0.40 4.42 2.96 0.64 -2.29 118.68 128.79 3k8m s LEU 678 Ca -0.06 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 54.38 3k8m s LEU 678 Cb -0.10 -2.13 0.11 0.00 0.50 0.00 0.00 46.19 44.58 3k8m s LEU 678 CO 0.00 0.39 0.14 -0.75 -1.32 0.00 0.00 176.35 174.81 3k8m s LYS 679 N -0.96 1.75 -0.19 1.98 2.47 0.19 -0.63 119.74 124.35 3k8m s LYS 679 Ca 0.16 -1.99 -0.09 0.00 -1.56 0.00 0.00 55.97 52.49 3k8m s LYS 679 Cb -0.12 -3.36 -0.04 0.00 -1.46 0.00 0.00 37.83 32.84 3k8m s LYS 679 CO 0.05 -1.01 0.09 -0.51 0.16 0.00 0.00 175.35 174.13 3k8m s LEU 680 N 0.76 3.99 0.00 5.43 1.43 -1.26 0.45 118.68 129.48 3k8m s LEU 680 Ca 0.11 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 3k8m s LEU 680 Cb -0.21 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 43.99 3k8m s LEU 680 CO -0.06 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.31 3k8m n GLY 681 N 3.51 -2.05 3.76 -3.19 0.00 0.34 -4.31 105.19 103.25 3k8m n GLY 681 Ca -0.16 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 3k8m n GLY 681 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k8m s GLY 682 N -2.36 3.06 -1.20 -0.02 0.00 -1.25 -3.57 107.32 101.97 3k8m s GLY 682 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.27 3k8m s GLY 682 CO 0.00 1.10 0.00 -1.72 0.00 0.00 0.00 173.10 172.48 3k8m n TYR 683 N 1.48 -1.27 -3.82 1.90 0.53 0.09 -4.81 117.16 111.25 3k8m n TYR 683 Ca -0.03 0.00 -0.21 0.00 -1.02 0.00 0.00 57.90 56.64 3k8m n TYR 683 Cb 0.48 -2.94 -0.03 0.00 -1.03 0.00 0.00 39.34 35.82 3k8m n TYR 683 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3k8m s ALA 684 N -2.65 3.88 0.18 -0.72 0.00 -1.23 -4.48 121.76 116.74 3k8m s ALA 684 Ca 0.00 -1.53 -0.21 0.00 0.00 0.00 0.00 51.96 50.22 3k8m s ALA 684 Cb 0.00 -1.36 0.05 0.00 0.00 0.00 0.00 23.12 21.82 3k8m s ALA 684 CO 0.00 0.07 0.59 -1.12 0.00 0.00 0.00 175.76 175.30 3k8m s SER 685 N -4.00 -0.44 0.07 0.00 0.01 0.71 -1.47 113.70 108.58 3k8m s SER 685 Ca 0.39 -0.21 -0.05 0.00 1.31 0.00 0.00 55.95 57.39 3k8m s SER 685 Cb -0.07 0.61 -0.02 0.00 0.21 0.00 0.00 66.02 66.75 3k8m s SER 685 CO 0.27 -1.04 0.08 0.54 0.41 0.00 0.00 173.24 173.50 3k8m s VAL 686 N -3.81 0.18 -0.13 3.43 0.11 0.02 -1.42 120.40 118.79 3k8m s VAL 686 Ca 0.04 -1.46 -0.02 0.00 -2.93 0.00 0.00 61.98 57.61 3k8m s VAL 686 Cb -0.02 -1.37 0.04 0.00 -1.53 0.00 0.00 36.38 33.50 3k8m s VAL 686 CO -0.08 -0.81 0.02 -0.69 -3.33 0.00 0.00 175.10 170.21 3k8m s VAL 687 N -3.75 0.45 0.14 2.04 1.01 0.05 -1.52 120.40 118.82 3k8m s VAL 687 Ca 0.05 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.89 3k8m s VAL 687 Cb 0.06 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 3k8m s VAL 687 CO -0.10 0.04 0.01 -0.36 0.00 0.00 0.00 175.10 174.69 3k8m s PHE 688 N 1.92 2.92 -0.44 5.22 0.40 -0.21 -0.08 117.98 127.70 3k8m s PHE 688 Ca 0.02 -0.08 -0.13 0.00 -0.60 0.00 0.00 56.93 56.14 3k8m s PHE 688 Cb -0.14 -1.46 0.07 0.00 0.51 0.00 0.00 43.02 42.00 3k8m s PHE 688 CO -0.07 0.50 0.32 0.21 0.70 0.00 0.00 175.22 176.88 3k8m s LYS 689 N -2.67 2.81 1.08 0.44 2.20 -0.48 -0.15 119.74 122.98 3k8m s LYS 689 Ca 0.27 -1.36 -0.12 0.00 -0.36 0.00 0.00 55.97 54.40 3k8m s LYS 689 Cb -0.10 -3.95 0.22 0.00 -1.51 0.00 0.00 37.83 32.48 3k8m s LYS 689 CO 0.19 -0.96 0.92 1.28 -0.36 0.00 0.00 175.35 176.42 3k8m n LEU 690 N 5.07 -0.04 -4.81 5.43 4.77 -0.25 -2.46 117.00 124.71 3k8m n LEU 690 Ca -0.11 0.04 -0.36 0.00 -0.03 0.00 0.00 56.01 55.55 3k8m n LEU 690 Cb 0.44 -1.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.16 3k8m n LEU 690 CO 0.43 -2.96 -0.22 -0.83 -1.33 0.00 0.00 177.39 172.48 3k8m s GLY 691 N -2.40 2.06 0.00 -0.72 0.00 -0.16 -4.65 107.32 101.44 3k8m s GLY 691 Ca 0.66 -0.70 0.23 0.00 0.00 0.00 0.00 44.72 44.91 3k8m s GLY 691 CO 0.63 -0.46 1.74 0.70 0.00 0.00 0.00 173.10 175.71