#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 3.52 0.19 1.08 0.52 -1.26 -4.31 118.94 118.68 3k8m s TRP 44 Ca 0.00 -2.28 0.01 0.00 0.02 0.00 0.00 56.10 53.85 3k8m s TRP 44 Cb 0.00 -2.95 -0.04 0.00 -1.15 0.00 0.00 33.47 29.33 3k8m s TRP 44 CO 0.00 -0.93 0.35 -0.08 0.02 0.00 0.00 176.95 176.32 3k8m s THR 45 N 1.17 5.26 0.38 2.01 -1.32 -0.69 -4.83 115.64 117.61 3k8m s THR 45 Ca 0.05 -0.58 -0.19 0.00 -1.21 0.00 0.00 61.69 59.75 3k8m s THR 45 Cb -0.22 -3.76 -0.10 0.00 -1.51 0.00 0.00 72.50 66.91 3k8m s THR 45 CO -0.03 -0.19 0.87 0.00 -2.21 0.00 0.00 174.62 173.06 3k8m s ALA 46 N -1.86 3.16 0.55 11.08 0.00 -1.26 0.07 121.76 133.50 3k8m s ALA 46 Ca 0.36 0.29 -0.16 0.00 0.00 0.00 0.00 51.96 52.45 3k8m s ALA 46 Cb -0.11 -3.02 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 3k8m s ALA 46 CO 0.29 0.21 1.02 -0.51 0.00 0.00 0.00 175.76 176.77 3k8m s LEU 47 N -2.96 3.58 -0.07 0.00 1.43 -0.76 -4.83 118.68 115.07 3k8m s LEU 47 Ca 0.58 1.71 -0.01 0.00 -1.03 0.00 0.00 54.13 55.37 3k8m s LEU 47 Cb -0.11 -4.52 0.03 0.00 0.03 0.00 0.00 46.19 41.62 3k8m s LEU 47 CO 0.16 -0.88 0.00 -0.89 0.23 0.00 0.00 176.35 174.97 3k8m s THR 48 N -2.50 0.37 0.08 5.49 2.01 -1.26 -5.02 115.64 114.81 3k8m s THR 48 Ca 0.62 0.12 -0.27 0.00 0.31 0.00 0.00 61.69 62.47 3k8m s THR 48 Cb -0.13 -0.53 -0.06 0.00 0.01 0.00 0.00 72.50 71.79 3k8m s THR 48 CO 0.33 0.26 0.84 0.00 -0.69 0.00 0.00 174.62 175.36 3k8m s ALA 49 N 1.94 3.33 -0.39 7.40 0.00 -1.26 -4.53 121.76 128.24 3k8m s ALA 49 Ca 0.04 0.41 0.09 0.00 0.00 0.00 0.00 51.96 52.50 3k8m s ALA 49 Cb -0.12 -3.11 0.28 0.00 0.00 0.00 0.00 23.12 20.17 3k8m s ALA 49 CO -0.05 0.05 0.59 -1.13 0.00 0.00 0.00 175.76 175.21 3k8m n SER 50 N 2.69 0.47 -4.80 0.00 3.41 0.68 -4.98 113.62 111.09 3k8m n SER 50 Ca -0.01 -2.80 -0.33 0.00 -0.26 0.00 0.00 58.87 55.47 3k8m n SER 50 Cb 0.50 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3k8m n SER 50 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3k8m s PRO 51 N -1.57 3.41 0.40 4.33 0.04 -1.26 -4.83 135.00 135.53 3k8m s PRO 51 Ca 0.37 1.30 -0.27 0.00 0.04 0.00 0.00 61.00 62.44 3k8m s PRO 51 Cb 0.22 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 3k8m s PRO 51 CO -0.10 -0.75 1.36 -0.51 0.04 0.00 0.00 177.00 177.05 3k8m s ASP 52 N -2.46 6.31 0.52 6.66 1.11 -1.26 -4.95 116.67 122.61 3k8m s ASP 52 Ca 0.66 2.78 -0.22 0.00 0.18 0.00 0.00 52.55 55.95 3k8m s ASP 52 Cb -0.17 -2.65 -0.06 0.00 1.07 0.00 0.00 42.92 41.11 3k8m s ASP 52 CO 0.32 -0.86 1.37 -0.89 1.18 0.00 0.00 175.17 176.28 3k8m s THR 53 N -1.20 2.09 -0.14 -1.27 2.01 -1.26 -4.95 115.64 110.92 3k8m s THR 53 Ca 0.56 0.07 -0.23 0.00 0.31 0.00 0.00 61.69 62.40 3k8m s THR 53 Cb -0.41 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 3k8m s THR 53 CO 0.54 0.00 0.69 0.86 -0.69 0.00 0.00 174.62 176.02 3k8m s TRP 54 N -1.29 3.47 -0.17 4.92 -0.00 -1.26 -4.95 118.94 119.67 3k8m s TRP 54 Ca 0.69 1.12 0.01 0.00 -0.00 0.00 0.00 56.10 57.92 3k8m s TRP 54 Cb -0.41 -2.83 0.12 0.00 -0.00 0.00 0.00 33.47 30.35 3k8m s TRP 54 CO 0.49 -0.06 1.12 -0.40 -0.00 0.00 0.00 176.95 178.09 3k8m n ASP 55 N 4.50 2.99 0.00 5.86 5.68 -1.26 -4.86 116.55 129.47 3k8m n ASP 55 Ca -0.00 -2.27 0.00 0.00 -0.50 0.00 0.00 54.79 52.01 3k8m n ASP 55 Cb 0.50 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 3k8m n ASP 55 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3k8m n GLU 56 N 0.20 -1.91 -3.81 0.11 1.02 -1.26 -4.96 120.64 110.02 3k8m n GLU 56 Ca 0.10 0.42 -0.35 0.00 -0.02 0.00 0.00 57.16 57.31 3k8m n GLU 56 Cb 0.68 -4.66 -0.09 0.00 -0.02 0.00 0.00 31.44 27.35 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 -0.88 5.23 -1.03 2.62 -4.23 -1.26 -5.03 115.64 111.06 3k8m s THR 57 Ca 0.00 0.12 -0.23 0.00 -1.18 0.00 0.00 61.69 60.41 3k8m s THR 57 Cb 0.00 -3.38 0.02 0.00 1.34 0.00 0.00 72.50 70.48 3k8m s THR 57 CO 0.00 0.44 1.63 -0.54 -0.54 0.00 0.00 174.62 175.61 3k8m s LYS 58 N 0.40 3.32 0.45 3.99 1.02 -1.26 -4.71 119.74 122.95 3k8m s LYS 58 Ca 0.07 -1.02 0.25 0.00 0.02 0.00 0.00 55.97 55.29 3k8m s LYS 58 Cb -0.11 -5.30 0.78 0.00 -0.52 0.00 0.00 37.83 32.67 3k8m s LYS 58 CO -0.01 -2.60 1.76 0.00 -0.92 0.00 0.00 175.35 173.58 3k8m h ARG 59 N 9.91 0.00 -6.51 1.68 3.08 -1.85 -3.45 114.38 117.24 3k8m h ARG 59 Ca 0.20 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.80 3k8m h ARG 59 Cb 0.99 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.06 3k8m h ARG 59 CO 1.37 0.14 -0.22 0.00 -1.07 0.00 0.00 179.97 180.19 3k8m s ALA 60 N -3.45 3.97 -0.72 0.04 0.00 -1.26 -4.69 121.76 115.66 3k8m s ALA 60 Ca 0.03 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 50.73 3k8m s ALA 60 Cb 0.08 -1.92 0.18 0.00 0.00 0.00 0.00 23.12 21.46 3k8m s ALA 60 CO 0.63 -0.20 0.56 -0.51 0.00 0.00 0.00 175.76 176.24 3k8m s ASP 61 N -4.19 5.46 -0.17 0.00 1.11 -1.26 -4.77 116.67 112.85 3k8m s ASP 61 Ca 0.46 -3.20 -0.05 0.00 0.18 0.00 0.00 52.55 49.94 3k8m s ASP 61 Cb -0.10 -1.86 -0.03 0.00 1.07 0.00 0.00 42.92 42.00 3k8m s ASP 61 CO 0.35 -0.29 -0.00 -0.63 1.18 0.00 0.00 175.17 175.77 3k8m s ILE 62 N -0.57 4.13 0.14 0.77 1.01 -1.26 -3.48 121.20 121.94 3k8m s ILE 62 Ca 0.21 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.67 3k8m s ILE 62 Cb -0.15 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 3k8m s ILE 62 CO -0.07 0.47 -0.12 -0.44 0.00 0.00 0.00 174.94 174.78 3k8m s SER 63 N 0.50 4.21 -0.11 3.58 0.01 -0.27 0.61 113.70 122.22 3k8m s SER 63 Ca -0.01 -0.51 0.03 0.00 1.31 0.00 0.00 55.95 56.77 3k8m s SER 63 Cb -0.14 -0.71 0.01 0.00 0.21 0.00 0.00 66.02 65.39 3k8m s SER 63 CO 0.02 0.15 -0.20 -0.47 0.41 0.00 0.00 173.24 173.15 3k8m s TYR 64 N -1.38 2.39 -0.20 2.43 5.04 -0.38 0.15 117.35 125.40 3k8m s TYR 64 Ca 0.22 -1.10 -0.09 0.00 -2.44 0.00 0.00 57.07 53.66 3k8m s TYR 64 Cb -0.10 -1.64 -0.05 0.00 0.35 0.00 0.00 41.96 40.52 3k8m s TYR 64 CO 0.13 -0.50 0.10 -1.14 -1.34 0.00 0.00 175.55 172.81 3k8m s GLN 65 N 0.69 4.06 0.06 4.97 0.74 0.15 -1.09 119.66 129.23 3k8m s GLN 65 Ca -0.11 -0.29 0.03 0.00 0.05 0.00 0.00 55.36 55.03 3k8m s GLN 65 Cb -0.16 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.57 3k8m s GLN 65 CO 0.02 0.24 -0.08 -0.48 -0.55 0.00 0.00 175.29 174.43 3k8m s LEU 66 N 0.51 2.31 -0.40 3.68 0.05 -0.87 -0.57 118.68 123.38 3k8m s LEU 66 Ca 0.06 -0.64 -0.13 0.00 0.05 0.00 0.00 54.13 53.47 3k8m s LEU 66 Cb -0.12 -0.20 0.03 0.00 -2.05 0.00 0.00 46.19 43.86 3k8m s LEU 66 CO 0.00 -0.23 0.27 -0.76 -0.55 0.00 0.00 176.35 175.08 3k8m s LEU 67 N -1.87 5.01 0.40 1.48 1.02 -1.26 -2.72 118.68 120.75 3k8m s LEU 67 Ca -0.05 -1.03 0.23 0.00 0.02 0.00 0.00 54.13 53.30 3k8m s LEU 67 Cb -0.07 -2.10 1.25 0.00 0.02 0.00 0.00 46.19 45.29 3k8m s LEU 67 CO -0.00 -0.45 1.68 -0.07 0.02 0.00 0.00 176.35 177.53 3k8m h LEU 68 N 8.55 0.37 -0.74 1.79 3.38 -1.92 -0.02 115.31 126.71 3k8m h LEU 68 Ca -0.26 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3k8m h LEU 68 Cb 1.11 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3k8m h LEU 68 CO 0.72 -0.09 0.00 0.10 0.09 0.00 0.00 178.44 179.27 3k8m h TYR 69 N 0.23 0.00 0.00 1.13 -0.00 -1.90 -3.01 116.97 113.43 3k8m h TYR 69 Ca 0.73 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.46 3k8m h TYR 69 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.76 3k8m h TYR 69 CO -0.01 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.02 3k8m n SER 70 N -2.68 0.93 0.01 0.10 3.41 -0.09 -1.35 113.62 113.95 3k8m n SER 70 Ca 0.02 -1.20 -0.01 0.00 -0.26 0.00 0.00 58.87 57.43 3k8m n SER 70 Cb 0.34 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3k8m n SER 70 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3k8m h PHE 71 N 0.00 -0.05 -2.69 7.33 3.57 -1.47 -3.41 116.94 120.22 3k8m h PHE 71 Ca 0.00 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 3k8m h PHE 71 Cb 0.27 0.02 -0.28 0.00 2.79 0.00 0.00 35.95 38.75 3k8m h PHE 71 CO 0.00 -0.03 -0.38 0.00 -2.23 0.00 0.00 178.31 175.67 3k8m s ALA 72 N -3.02 -0.94 -0.32 2.41 0.00 -1.26 -4.67 121.76 113.96 3k8m s ALA 72 Ca -0.01 1.36 -0.16 0.00 0.00 0.00 0.00 51.96 53.15 3k8m s ALA 72 Cb 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 3k8m s ALA 72 CO 0.02 -0.46 0.41 0.34 0.00 0.00 0.00 175.76 176.07 3k8m s ASP 73 N 1.89 6.24 0.07 0.00 2.15 0.21 -1.40 116.67 125.83 3k8m s ASP 73 Ca -0.06 -0.02 0.23 0.00 0.43 0.00 0.00 52.55 53.13 3k8m s ASP 73 Cb -0.10 -2.22 -0.03 0.00 -0.30 0.00 0.00 42.92 40.27 3k8m s ASP 73 CO -0.12 -0.33 0.94 -1.54 -0.17 0.00 0.00 175.17 173.95 3k8m n SER 74 N 5.46 0.57 -0.26 -0.34 3.41 -1.26 -4.02 113.62 117.18 3k8m n SER 74 Ca -0.08 -0.05 0.07 0.00 -0.26 0.00 0.00 58.87 58.55 3k8m n SER 74 Cb 0.50 0.91 0.14 0.00 -0.26 0.00 0.00 64.21 65.50 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 -2.18 2.63 -1.98 4.04 5.68 -1.26 -5.01 116.55 118.48 3k8m n ASP 75 Ca 0.00 -2.77 -0.20 0.00 -0.50 0.00 0.00 54.79 51.32 3k8m n ASP 75 Cb 0.48 -0.35 -0.05 0.00 -1.14 0.00 0.00 41.12 40.06 3k8m n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k8m n GLY 76 N -0.92 0.75 0.62 6.12 0.00 -1.26 -4.83 105.19 105.66 3k8m n GLY 76 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.62 1.91 0.00 1.61 5.75 -1.26 -4.93 116.55 118.01 3k8m n ASP 77 Ca -0.22 -1.66 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 3k8m n ASP 77 Cb 0.67 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 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 1.22 2.98 3.78 6.12 0.00 -1.26 -5.01 105.19 113.02 3k8m n GLY 78 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.94 3.48 1.04 1.61 5.04 -1.26 -0.10 117.35 125.22 3k8m s TYR 79 Ca 0.00 0.42 -0.12 0.00 -2.44 0.00 0.00 57.07 54.93 3k8m s TYR 79 Cb 0.00 -2.09 0.19 0.00 0.35 0.00 0.00 41.96 40.41 3k8m s TYR 79 CO 0.00 0.45 0.95 0.41 -1.34 0.00 0.00 175.55 176.02 3k8m n GLY 80 N 2.96 -1.31 3.78 8.97 0.00 -0.46 -4.52 105.19 114.62 3k8m n GLY 80 Ca -0.17 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.88 3k8m n GLY 80 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k8m s ASP 81 N -2.43 -0.29 0.12 1.61 3.84 -0.49 -4.59 116.67 114.44 3k8m s ASP 81 Ca 0.66 -0.49 -0.21 0.00 -0.00 0.00 0.00 52.55 52.50 3k8m s ASP 81 Cb -0.23 0.67 -0.05 0.00 -1.38 0.00 0.00 42.92 41.93 3k8m s ASP 81 CO 0.62 -1.22 1.70 -0.07 -0.00 0.00 0.00 175.17 176.20 3k8m h LEU 82 N 2.00 -0.21 -1.70 2.11 3.38 -1.38 -1.04 115.31 118.46 3k8m h LEU 82 Ca -0.22 0.05 0.12 0.00 0.09 0.00 0.00 57.88 57.92 3k8m h LEU 82 Cb 1.25 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.09 3k8m h LEU 82 CO 0.25 -0.09 0.41 0.78 0.09 0.00 0.00 178.44 179.88 3k8m h ASN 83 N -0.05 0.29 -0.37 -0.43 2.35 -1.85 0.14 115.58 115.66 3k8m h ASN 83 Ca 0.07 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3k8m h ASN 83 Cb 0.16 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3k8m h ASN 83 CO -0.16 0.17 0.19 1.23 -1.65 0.00 0.00 177.43 177.20 3k8m h GLY 84 N 0.32 0.50 0.93 2.83 0.00 -1.34 0.42 103.07 106.73 3k8m h GLY 84 Ca 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 3k8m h GLY 84 CO -0.07 0.10 -0.36 -2.08 0.00 0.00 0.00 176.54 174.13 3k8m h VAL 85 N 0.38 0.22 -1.04 4.60 2.07 -0.39 -2.30 116.25 119.80 3k8m h VAL 85 Ca 0.16 -0.11 0.32 0.00 0.82 0.00 0.00 66.70 67.88 3k8m h VAL 85 Cb 0.06 0.25 -0.14 0.00 -1.52 0.00 0.00 31.29 29.94 3k8m h VAL 85 CO -0.11 0.01 0.61 0.74 0.02 0.00 0.00 177.57 178.84 3k8m h THR 86 N -1.08 0.34 -0.02 2.57 2.02 -0.66 0.81 112.91 116.89 3k8m h THR 86 Ca -0.10 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3k8m h THR 86 Cb 0.78 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3k8m h THR 86 CO 0.17 0.06 0.00 0.00 0.37 0.00 0.00 175.52 176.12 3k8m n GLN 87 N -4.95 1.21 0.00 6.66 6.02 0.14 -3.18 117.38 123.28 3k8m n GLN 87 Ca 0.31 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3k8m n GLN 87 Cb 0.98 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.79 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 -0.59 1.55 -0.16 -1.09 4.76 0.27 -4.72 118.16 118.19 3k8m n LYS 88 Ca 0.20 -1.11 0.20 0.00 -2.87 0.00 0.00 58.31 54.74 3k8m n LYS 88 Cb 0.18 -0.96 0.58 0.00 -1.84 0.00 0.00 35.03 32.98 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 0.00 0.26 -0.67 -0.35 3.38 -1.22 0.28 115.31 116.98 3k8m h LEU 89 Ca 0.00 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 3k8m h LEU 89 Cb 0.37 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3k8m h LEU 89 CO 0.00 0.12 -0.54 0.44 0.09 0.00 0.00 178.44 178.55 3k8m h ASP 90 N 0.26 0.39 -0.54 -0.43 3.32 -1.85 -1.15 116.42 116.43 3k8m h ASP 90 Ca 0.39 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3k8m h ASP 90 Cb 1.13 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 3k8m h ASP 90 CO -0.10 0.85 0.29 0.22 -1.72 0.00 0.00 179.24 178.79 3k8m h TYR 91 N 0.27 0.74 0.00 4.55 3.20 -1.31 -2.21 116.97 122.21 3k8m h TYR 91 Ca 0.01 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3k8m h TYR 91 Cb 1.03 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 3k8m h TYR 91 CO 0.03 0.54 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.69 3k8m h LEU 92 N 0.72 0.00 -0.92 2.82 3.38 -1.18 -2.47 115.31 117.66 3k8m h LEU 92 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3k8m h LEU 92 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3k8m h LEU 92 CO -0.03 0.33 -0.09 -1.13 0.09 0.00 0.00 178.44 177.61 3k8m h ASN 93 N 0.00 0.00 0.40 -0.43 -0.00 -0.60 -2.65 115.58 112.29 3k8m h ASN 93 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 56.23 3k8m h ASN 93 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.90 3k8m h ASN 93 CO 0.04 0.09 -0.31 1.56 -0.00 0.00 0.00 177.43 178.81 3k8m h GLN 94 N 0.00 0.00 0.00 6.67 4.20 -1.10 -1.49 115.11 123.39 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 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 3k8m h GLN 94 CO 0.01 0.31 -0.05 1.28 -0.67 0.00 0.00 178.83 179.72 3k8m n LEU 95 N -4.00 0.05 -1.11 1.46 4.77 -1.00 -4.87 117.00 112.30 3k8m n LEU 95 Ca -0.02 0.45 -0.11 0.00 -0.03 0.00 0.00 56.01 56.31 3k8m n LEU 95 Cb 0.37 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 3k8m n LEU 95 CO 0.37 0.01 -0.13 0.61 -1.33 0.00 0.00 177.39 176.92 3k8m n GLY 96 N 1.50 0.43 3.77 -0.72 0.00 -0.56 -4.67 105.19 104.94 3k8m n GLY 96 Ca 0.07 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.50 2.72 -0.38 1.61 -7.23 -1.24 -4.71 120.40 108.67 3k8m s VAL 97 Ca 0.00 0.64 0.23 0.00 -1.81 0.00 0.00 61.98 61.04 3k8m s VAL 97 Cb 0.00 -3.38 -0.14 0.00 0.56 0.00 0.00 36.38 33.42 3k8m s VAL 97 CO 0.00 0.09 0.90 1.17 -0.31 0.00 0.00 175.10 176.95 3k8m n LYS 98 N 0.17 0.46 -3.52 4.82 4.81 0.20 -4.75 118.16 120.35 3k8m n LYS 98 Ca 0.03 -0.01 -0.13 0.00 -0.87 0.00 0.00 58.31 57.33 3k8m n LYS 98 Cb 0.44 -1.64 -0.04 0.00 0.02 0.00 0.00 35.03 33.81 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 -3.32 -1.37 -0.07 3.14 0.00 -1.18 -0.77 121.76 118.19 3k8m s ALA 99 Ca -0.00 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.46 3k8m s ALA 99 Cb 0.13 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 3k8m s ALA 99 CO 0.83 -0.64 -0.21 -0.51 0.00 0.00 0.00 175.76 175.23 3k8m s LEU 100 N -2.43 2.29 -0.28 0.00 1.02 -0.28 -1.25 118.68 117.76 3k8m s LEU 100 Ca -0.01 -0.42 -0.04 0.00 0.02 0.00 0.00 54.13 53.68 3k8m s LEU 100 Cb -0.00 -1.44 0.02 0.00 0.02 0.00 0.00 46.19 44.79 3k8m s LEU 100 CO -0.08 0.26 0.00 0.86 0.02 0.00 0.00 176.35 177.41 3k8m s TRP 101 N -0.21 3.13 0.21 0.29 -0.00 -0.25 0.24 118.94 122.35 3k8m s TRP 101 Ca -0.01 -1.39 -0.09 0.00 -0.00 0.00 0.00 56.10 54.61 3k8m s TRP 101 Cb -0.13 -2.14 -0.07 0.00 -0.00 0.00 0.00 33.47 31.12 3k8m s TRP 101 CO 0.03 -0.69 0.53 -0.51 -0.00 0.00 0.00 176.95 176.31 3k8m s LEU 102 N 1.38 4.19 0.93 5.86 1.43 -0.64 -2.04 118.68 129.79 3k8m s LEU 102 Ca 0.00 0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 53.87 3k8m s LEU 102 Cb -0.17 -3.62 0.15 0.00 0.03 0.00 0.00 46.19 42.58 3k8m s LEU 102 CO -0.01 -0.05 1.10 -0.94 0.23 0.00 0.00 176.35 176.68 3k8m s SER 103 N -2.34 3.20 0.16 2.29 1.04 -1.10 -3.17 113.70 113.77 3k8m s SER 103 Ca 0.46 1.26 -0.34 0.00 0.48 0.00 0.00 55.95 57.81 3k8m s SER 103 Cb -0.11 -1.92 -0.16 0.00 0.10 0.00 0.00 66.02 63.93 3k8m s SER 103 CO 0.21 -2.78 1.25 -2.65 0.98 0.00 0.00 173.24 170.25 3k8m n PRO 104 N -3.95 1.29 -0.18 4.02 -0.02 -1.26 -4.62 135.00 130.27 3k8m n PRO 104 Ca 0.06 0.46 0.05 0.00 -2.02 0.00 0.00 63.50 62.06 3k8m n PRO 104 Cb 0.57 -2.02 0.15 0.00 -0.02 0.00 0.00 33.50 32.17 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 1.87 1.10 -2.89 4.25 -0.00 -1.26 -4.78 119.36 117.64 3k8m n ILE 105 Ca 0.16 -1.07 -0.22 0.00 -0.00 0.00 0.00 62.75 61.61 3k8m n ILE 105 Cb 0.24 0.44 0.02 0.00 -0.00 0.00 0.00 39.64 40.34 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 -1.15 3.08 0.53 4.28 3.76 -1.26 0.67 115.29 125.20 3k8m s HIS 106 Ca 0.23 0.11 -0.23 0.00 -0.15 0.00 0.00 55.06 55.02 3k8m s HIS 106 Cb 0.13 -2.45 -0.06 0.00 1.11 0.00 0.00 32.58 31.31 3k8m s HIS 106 CO 0.14 -0.52 1.37 -2.30 -0.85 0.00 0.00 174.74 172.58 3k8m n PRO 107 N -2.14 1.81 0.00 8.40 -0.02 -1.26 -4.22 135.00 137.57 3k8m n PRO 107 Ca 0.04 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3k8m n PRO 107 Cb 0.58 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3k8m n PRO 107 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k8m n SER 110 N 0.00 -1.12 0.26 0.00 7.64 -1.26 -4.86 113.62 114.28 3k8m n SER 110 Ca 0.00 0.03 0.09 0.00 1.01 0.00 0.00 58.87 60.00 3k8m n SER 110 Cb 0.00 -0.15 0.66 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.21 0.00 0.00 1.43 -0.00 -2.02 -2.16 116.97 114.01 3k8m h TYR 111 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.64 3k8m h TYR 111 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.01 3k8m h TYR 111 CO 0.03 0.06 0.00 1.12 -0.00 0.00 0.00 178.16 179.38 3k8m h HIS 112 N 0.00 0.00 0.00 0.10 2.07 -2.03 -3.46 115.15 111.83 3k8m h HIS 112 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3k8m h HIS 112 Cb 0.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.11 3k8m h HIS 112 CO 0.00 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.27 3k8m n GLY 113 N 0.87 0.72 0.13 6.13 0.00 -0.81 -4.40 105.19 107.83 3k8m n GLY 113 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.36 0.03 -2.99 1.61 4.01 -1.26 -3.98 117.16 112.24 3k8m n TYR 114 Ca 0.00 -0.02 -0.29 0.00 -0.16 0.00 0.00 57.90 57.43 3k8m n TYR 114 Cb 0.02 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 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 -0.58 4.76 -4.77 7.72 3.85 -1.26 -4.78 116.55 121.49 3k8m n ASP 115 Ca 0.17 -3.64 -0.40 0.00 -0.71 0.00 0.00 54.79 50.21 3k8m n ASP 115 Cb 0.14 -0.67 0.00 0.00 -1.35 0.00 0.00 41.12 39.25 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 -4.10 2.32 -0.51 2.12 -7.23 -1.26 -3.81 120.40 107.94 3k8m s VAL 116 Ca 0.46 0.29 0.10 0.00 -1.81 0.00 0.00 61.98 61.02 3k8m s VAL 116 Cb 0.24 -3.17 -0.10 0.00 0.56 0.00 0.00 36.38 33.91 3k8m s VAL 116 CO -0.11 0.05 0.44 0.41 -0.31 0.00 0.00 175.10 175.57 3k8m n THR 117 N 0.04 0.00 -3.15 5.32 -1.04 0.01 -0.78 114.28 114.68 3k8m n THR 117 Ca 0.04 -0.28 0.05 0.00 -2.04 0.00 0.00 64.05 61.81 3k8m n THR 117 Cb 0.42 1.01 -0.01 0.00 -1.82 0.00 0.00 70.33 69.94 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 -1.87 -1.07 0.00 8.00 -1.08 -1.25 -4.40 116.67 115.00 3k8m s ASP 118 Ca 0.04 0.37 0.13 0.00 -0.52 0.00 0.00 52.55 52.58 3k8m s ASP 118 Cb 0.08 1.78 0.58 0.00 -1.46 0.00 0.00 42.92 43.89 3k8m s ASP 118 CO 0.39 -0.20 1.40 -1.22 0.52 0.00 0.00 175.17 176.06 3k8m n TYR 119 N 5.37 0.00 0.79 -5.34 4.02 -1.26 -3.16 117.16 117.58 3k8m n TYR 119 Ca 0.02 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.99 3k8m n TYR 119 Cb 0.54 -0.45 -0.00 0.00 -0.02 0.00 0.00 39.34 39.41 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 -1.45 0.00 -4.31 -0.72 -2.24 -1.26 -4.84 114.28 99.46 3k8m n THR 120 Ca 0.04 -0.31 -0.28 0.00 -2.27 0.00 0.00 64.05 61.22 3k8m n THR 120 Cb 0.14 1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 69.52 3k8m n THR 120 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3k8m s LYS 121 N -2.05 2.20 -0.15 -0.78 1.02 -1.19 -5.07 119.74 113.72 3k8m s LYS 121 Ca 0.15 -2.10 -0.04 0.00 0.02 0.00 0.00 55.97 53.99 3k8m s LYS 121 Cb 0.14 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.59 3k8m s LYS 121 CO 0.45 -0.34 -0.02 0.08 -0.92 0.00 0.00 175.35 174.61 3k8m s VAL 122 N -2.75 4.09 -0.13 3.17 1.01 -1.26 -4.18 120.40 120.35 3k8m s VAL 122 Ca 0.27 -0.29 -0.35 0.00 0.00 0.00 0.00 61.98 61.61 3k8m s VAL 122 Cb 0.02 -2.79 -0.12 0.00 0.00 0.00 0.00 36.38 33.49 3k8m s VAL 122 CO 0.15 0.50 1.89 -3.20 0.00 0.00 0.00 175.10 174.45 3k8m n ASN 123 N 3.37 3.29 -0.26 3.32 2.85 0.21 -4.62 115.26 123.43 3k8m n ASN 123 Ca -0.17 0.94 0.17 0.00 -0.11 0.00 0.00 54.58 55.40 3k8m n ASN 123 Cb 0.53 -1.35 0.46 0.00 1.24 0.00 0.00 39.78 40.66 3k8m n ASN 123 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3k8m h PRO 124 N 9.33 0.50 0.00 1.20 0.11 -1.90 -0.13 132.00 141.11 3k8m h PRO 124 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3k8m h PRO 124 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3k8m h PRO 124 CO 0.95 0.33 0.00 0.94 -0.21 0.00 0.00 178.00 180.02 3k8m n GLN 125 N -4.55 0.05 -0.02 1.05 7.27 -1.26 -2.75 117.38 117.16 3k8m n GLN 125 Ca 0.19 0.18 0.07 0.00 0.07 0.00 0.00 57.00 57.51 3k8m n GLN 125 Cb 0.62 -1.50 -0.16 0.00 2.41 0.00 0.00 30.24 31.62 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 -1.46 0.00 0.00 1.69 4.77 -0.07 -4.86 117.00 117.07 3k8m n LEU 126 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3k8m n LEU 126 Cb 0.20 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3k8m n LEU 126 CO 0.16 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3k8m n GLY 127 N 1.43 -0.55 3.99 -0.72 0.00 -1.11 -1.03 105.19 107.20 3k8m n GLY 127 Ca -0.08 -1.56 -0.20 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.23 2.61 0.46 2.61 -4.23 -1.26 -4.17 115.64 109.42 3k8m s THR 128 Ca 0.00 -0.76 0.15 0.00 -1.18 0.00 0.00 61.69 59.90 3k8m s THR 128 Cb 0.00 -2.85 0.20 0.00 1.34 0.00 0.00 72.50 71.19 3k8m s THR 128 CO 0.00 0.00 2.02 -0.33 -0.54 0.00 0.00 174.62 175.77 3k8m h GLU 129 N 0.11 0.01 -0.06 3.99 4.39 -1.96 -2.17 114.58 118.88 3k8m h GLU 129 Ca -0.40 -0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.06 3k8m h GLU 129 Cb 1.29 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.95 3k8m h GLU 129 CO 0.48 0.15 -0.91 0.77 -1.16 0.00 0.00 179.01 178.34 3k8m h SER 130 N 0.01 0.84 -0.81 1.42 0.02 -1.99 -2.63 113.55 110.41 3k8m h SER 130 Ca -0.00 -0.62 0.11 0.00 -0.84 0.00 0.00 61.79 60.44 3k8m h SER 130 Cb 0.26 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.49 3k8m h SER 130 CO 0.02 1.42 0.53 0.44 -1.14 0.00 0.00 176.83 178.09 3k8m h ASP 131 N 0.42 0.65 0.26 3.07 3.32 -1.77 -0.60 116.42 121.77 3k8m h ASP 131 Ca -0.09 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3k8m h ASP 131 Cb 1.54 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.98 3k8m h ASP 131 CO 0.18 0.37 -0.12 0.15 -1.72 0.00 0.00 179.24 178.10 3k8m h PHE 132 N 0.71 -0.32 -0.92 4.55 3.57 -1.40 -2.57 116.94 120.56 3k8m h PHE 132 Ca 0.38 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 62.10 3k8m h PHE 132 Cb 0.51 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 3k8m h PHE 132 CO -0.00 0.05 0.62 -0.44 -2.23 0.00 0.00 178.31 176.30 3k8m h ASP 133 N -0.86 0.32 -0.20 0.41 3.32 -1.06 0.91 116.42 119.27 3k8m h ASP 133 Ca -0.04 0.04 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 3k8m h ASP 133 Cb 0.51 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 3k8m h ASP 133 CO 0.06 0.11 -0.55 0.03 -1.72 0.00 0.00 179.24 177.18 3k8m h ARG 134 N 0.31 0.79 -0.79 3.56 3.08 -1.08 -2.01 114.38 118.24 3k8m h ARG 134 Ca 0.48 -0.50 0.03 0.00 0.07 0.00 0.00 59.98 60.06 3k8m h ARG 134 Cb 1.35 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.41 3k8m h ARG 134 CO -0.15 1.13 0.50 1.25 -1.07 0.00 0.00 179.97 181.63 3k8m h LEU 135 N 0.60 0.84 -0.09 3.04 5.85 -0.43 0.11 115.31 125.24 3k8m h LEU 135 Ca 0.01 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3k8m h LEU 135 Cb 1.14 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3k8m h LEU 135 CO 0.12 0.58 0.05 0.58 -0.34 0.00 0.00 178.44 179.43 3k8m h VAL 136 N 0.99 1.05 0.07 1.05 2.07 -1.18 0.70 116.25 120.99 3k8m h VAL 136 Ca 0.31 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.72 3k8m h VAL 136 Cb -0.00 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3k8m h VAL 136 CO -0.11 0.05 -0.16 0.74 0.02 0.00 0.00 177.57 178.11 3k8m h THR 137 N 0.08 0.62 -0.48 2.57 2.02 -0.58 -0.41 112.91 116.74 3k8m h THR 137 Ca 0.03 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 3k8m h THR 137 Cb 0.03 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3k8m h THR 137 CO -0.01 0.00 0.19 -0.33 0.37 0.00 0.00 175.52 175.75 3k8m h GLU 138 N -0.30 0.71 -0.42 6.66 4.39 -0.72 -1.42 114.58 123.48 3k8m h GLU 138 Ca 0.03 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 59.64 3k8m h GLU 138 Cb 0.33 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 3k8m h GLU 138 CO -0.11 0.64 0.19 0.00 -1.16 0.00 0.00 179.01 178.57 3k8m h ALA 139 N 1.04 0.51 -0.15 3.43 0.00 -0.64 -1.36 119.26 122.10 3k8m h ALA 139 Ca 0.16 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3k8m h ALA 139 Cb 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3k8m h ALA 139 CO -0.01 -0.17 -0.11 0.45 0.00 0.00 0.00 179.25 179.41 3k8m h HIS 140 N 0.39 0.23 0.00 0.00 3.86 -0.87 0.11 115.15 118.87 3k8m h HIS 140 Ca 0.18 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3k8m h HIS 140 Cb 0.11 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3k8m h HIS 140 CO -0.11 0.34 0.00 -0.91 0.86 0.00 0.00 177.93 178.10 3k8m h ASN 141 N 0.22 0.00 -0.44 2.45 2.35 -0.16 -2.59 115.58 117.41 3k8m h ASN 141 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3k8m h ASN 141 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3k8m h ASN 141 CO 0.02 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.34 3k8m n ARG 142 N -2.96 3.21 -2.76 0.81 1.74 -0.46 -4.95 116.66 111.28 3k8m n ARG 142 Ca 0.01 -2.59 -0.14 0.00 -0.77 0.00 0.00 57.85 54.36 3k8m n ARG 142 Cb 0.28 -1.66 0.02 0.00 -1.02 0.00 0.00 32.46 30.08 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 0.47 -0.05 3.12 -0.13 0.00 -0.98 -5.02 105.19 102.60 3k8m n GLY 143 Ca 0.20 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.95 2.02 0.70 -0.61 1.01 0.25 -4.73 121.20 116.90 3k8m s ILE 144 Ca 0.20 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 3k8m s ILE 144 Cb -0.09 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.56 3k8m s ILE 144 CO 0.25 0.54 1.09 -0.54 0.00 0.00 0.00 174.94 176.27 3k8m s LYS 145 N 1.24 2.95 -0.10 2.79 1.02 0.05 -3.42 119.74 124.27 3k8m s LYS 145 Ca 0.03 0.53 0.01 0.00 0.02 0.00 0.00 55.97 56.56 3k8m s LYS 145 Cb -0.13 -2.03 0.02 0.00 -0.52 0.00 0.00 37.83 35.17 3k8m s LYS 145 CO -0.11 -0.98 -0.12 0.42 -0.92 0.00 0.00 175.35 173.64 3k8m s ILE 146 N -3.32 1.23 -0.07 2.17 1.01 -1.26 -1.13 121.20 119.84 3k8m s ILE 146 Ca 0.58 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.77 3k8m s ILE 146 Cb -0.11 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 3k8m s ILE 146 CO 0.52 0.39 -0.12 -0.31 0.00 0.00 0.00 174.94 175.43 3k8m s TYR 147 N 1.15 2.80 -0.03 3.97 2.02 0.14 -1.41 117.35 125.99 3k8m s TYR 147 Ca -0.05 -0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 56.44 3k8m s TYR 147 Cb -0.14 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 3k8m s TYR 147 CO -0.03 0.14 0.06 -0.51 -1.57 0.00 0.00 175.55 173.64 3k8m s LEU 148 N -0.49 3.82 -0.40 -1.29 1.43 -0.65 -1.62 118.68 119.48 3k8m s LEU 148 Ca 0.07 0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 53.02 3k8m s LEU 148 Cb -0.12 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 43.99 3k8m s LEU 148 CO 0.02 0.30 1.19 -0.62 0.23 0.00 0.00 176.35 177.47 3k8m s ASP 149 N -1.50 6.68 -0.23 2.29 -1.08 -1.19 -0.17 116.67 121.46 3k8m s ASP 149 Ca 0.20 0.78 -0.06 0.00 -0.52 0.00 0.00 52.55 52.96 3k8m s ASP 149 Cb -0.12 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.78 3k8m s ASP 149 CO 0.10 -1.16 0.01 -0.47 0.52 0.00 0.00 175.17 174.18 3k8m s TYR 150 N 4.37 3.02 0.09 -5.34 5.04 0.70 -4.57 117.35 120.66 3k8m s TYR 150 Ca 0.50 -0.68 -0.09 0.00 -2.44 0.00 0.00 57.07 54.36 3k8m s TYR 150 Cb -0.11 -2.17 -0.06 0.00 0.35 0.00 0.00 41.96 39.97 3k8m s TYR 150 CO 0.26 -0.45 0.41 0.08 -1.34 0.00 0.00 175.55 174.51 3k8m s VAL 151 N 1.55 5.09 0.00 3.14 1.01 -1.26 -3.56 120.40 126.37 3k8m s VAL 151 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3k8m s VAL 151 Cb -0.15 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3k8m s VAL 151 CO 0.00 0.24 0.00 -3.20 0.00 0.00 0.00 175.10 172.14 3k8m n ASN 153 N 0.76 0.00 -2.99 3.32 5.15 -1.26 -4.84 115.26 115.40 3k8m n ASN 153 Ca -0.07 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.81 3k8m n ASN 153 Cb 0.52 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.78 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 0.34 0.28 1.20 -3.43 -1.26 -0.96 115.29 111.46 3k8m s HIS 154 Ca 0.00 -0.92 0.02 0.00 -0.80 0.00 0.00 55.06 53.36 3k8m s HIS 154 Cb 0.00 0.63 -0.05 0.00 -1.43 0.00 0.00 32.58 31.73 3k8m s HIS 154 CO 0.00 -1.48 0.10 0.95 -2.00 0.00 0.00 174.74 172.31 3k8m s THR 155 N -2.47 0.65 0.66 -5.38 -4.23 -1.03 -4.82 115.64 99.02 3k8m s THR 155 Ca 0.19 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.57 3k8m s THR 155 Cb -0.04 -2.65 -0.00 0.00 1.34 0.00 0.00 72.50 71.15 3k8m s THR 155 CO 0.14 0.00 1.06 -0.83 -0.54 0.00 0.00 174.62 174.45 3k8m s GLY 156 N -3.35 1.86 0.00 3.99 0.00 0.04 -1.72 107.32 108.14 3k8m s GLY 156 Ca 0.37 0.24 0.28 0.00 0.00 0.00 0.00 44.72 45.61 3k8m s GLY 156 CO 0.14 0.55 2.02 -1.30 0.00 0.00 0.00 173.10 174.52 3k8m n THR 157 N -2.74 0.00 1.03 0.90 -2.24 0.14 -2.27 114.28 109.10 3k8m n THR 157 Ca 0.08 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.97 3k8m n THR 157 Cb 0.53 -0.51 0.06 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.97 4.00 -1.81 6.98 0.00 -1.26 -4.61 120.51 122.84 3k8m n ALA 158 Ca 0.21 -0.52 -0.41 0.00 0.00 0.00 0.00 53.44 52.71 3k8m n ALA 158 Cb 0.10 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 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 -2.82 2.86 0.49 0.00 5.04 -0.96 -4.85 115.29 115.04 3k8m s HIS 159 Ca 0.13 0.91 0.23 0.00 -1.54 0.00 0.00 55.06 54.79 3k8m s HIS 159 Cb 0.17 -3.96 1.28 0.00 0.04 0.00 0.00 32.58 30.11 3k8m s HIS 159 CO 0.72 -3.16 1.93 -1.00 -2.34 0.00 0.00 174.74 170.89 3k8m h PRO 160 N 4.81 0.17 -0.45 2.88 0.13 -1.91 -0.91 132.00 136.71 3k8m h PRO 160 Ca -0.47 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.69 3k8m h PRO 160 Cb 1.22 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 3k8m h PRO 160 CO 0.78 0.11 0.21 -1.49 -0.23 0.00 0.00 178.00 177.38 3k8m h TRP 161 N 0.17 0.39 -0.29 1.56 6.55 -1.92 0.64 115.95 123.05 3k8m h TRP 161 Ca 0.35 0.02 -0.12 0.00 0.95 0.00 0.00 58.89 60.09 3k8m h TRP 161 Cb 1.14 -0.11 -0.01 0.00 -0.86 0.00 0.00 29.16 29.32 3k8m h TRP 161 CO -0.00 0.19 -0.32 0.35 -1.05 0.00 0.00 178.44 177.61 3k8m h PHE 162 N 0.43 0.72 -0.70 0.49 3.57 -1.51 0.11 116.94 120.05 3k8m h PHE 162 Ca 0.20 -0.19 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3k8m h PHE 162 Cb 0.12 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 3k8m h PHE 162 CO -0.11 0.87 0.44 1.15 -2.23 0.00 0.00 178.31 178.43 3k8m h THR 163 N 0.53 1.10 0.04 4.41 2.02 -0.56 0.65 112.91 121.10 3k8m h THR 163 Ca 0.06 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 3k8m h THR 163 Cb 0.81 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3k8m h THR 163 CO 0.07 0.16 -0.02 -0.33 0.37 0.00 0.00 175.52 175.76 3k8m h GLU 164 N 0.86 -0.06 -0.97 6.66 4.39 -0.66 -3.10 114.58 121.71 3k8m h GLU 164 Ca 0.28 0.00 0.12 0.00 0.34 0.00 0.00 59.36 60.11 3k8m h GLU 164 Cb 0.02 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.60 3k8m h GLU 164 CO -0.11 0.55 0.62 0.00 -1.16 0.00 0.00 179.01 178.91 3k8m h ALA 165 N 0.11 1.59 -0.00 3.43 0.00 -0.63 -1.53 119.26 122.23 3k8m h ALA 165 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3k8m h ALA 165 Cb 0.64 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3k8m h ALA 165 CO 0.01 0.17 -0.18 -1.13 0.00 0.00 0.00 179.25 178.12 3k8m n SER 166 N -4.59 0.47 0.11 0.00 3.41 0.21 -3.94 113.62 109.29 3k8m n SER 166 Ca 0.18 -0.39 -0.02 0.00 -0.26 0.00 0.00 58.87 58.38 3k8m n SER 166 Cb 0.37 -0.06 0.05 0.00 -0.26 0.00 0.00 64.21 64.32 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 0.45 0.00 -4.19 4.04 4.64 -1.19 -3.47 113.55 113.84 3k8m h SER 167 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 3k8m h SER 167 Cb 0.42 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.29 3k8m h SER 167 CO 0.00 0.73 0.45 -0.55 -0.87 0.00 0.00 176.83 176.59 3k8m s SER 168 N -6.69 -0.45 0.00 4.97 0.15 -1.25 -5.00 113.70 105.44 3k8m s SER 168 Ca 0.01 0.55 0.18 0.00 0.70 0.00 0.00 55.95 57.38 3k8m s SER 168 Cb 0.11 0.45 0.83 0.00 -1.71 0.00 0.00 66.02 65.70 3k8m s SER 168 CO 0.77 -0.37 1.54 -1.54 1.20 0.00 0.00 173.24 174.84 3k8m n SER 169 N 0.99 0.00 0.02 5.45 3.41 -1.26 -2.21 113.62 120.03 3k8m n SER 169 Ca -0.12 0.22 0.12 0.00 -0.26 0.00 0.00 58.87 58.82 3k8m n SER 169 Cb 0.57 -0.37 0.13 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.37 0.15 -1.66 4.33 -0.58 -1.26 -4.91 120.64 115.33 3k8m n GLU 170 Ca 0.07 0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.40 3k8m n GLU 170 Cb 0.16 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 3k8m n GLU 170 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3k8m n SER 171 N -1.76 2.13 0.16 1.62 2.88 -0.94 -4.86 113.62 112.85 3k8m n SER 171 Ca 0.04 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 58.84 3k8m n SER 171 Cb 0.39 -1.43 0.54 0.00 -0.75 0.00 0.00 64.21 62.96 3k8m n SER 171 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3k8m h PRO 172 N 2.09 0.00 -0.01 -1.46 0.11 -1.91 -2.28 132.00 128.55 3k8m h PRO 172 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.60 0.00 -0.52 0.66 -0.21 0.00 0.00 178.00 178.53 3k8m n TYR 173 N -2.39 0.00 -0.35 0.65 4.01 -1.26 -4.59 117.16 113.24 3k8m n TYR 173 Ca 0.02 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.80 3k8m n TYR 173 Cb 0.22 -0.04 0.12 0.00 -0.31 0.00 0.00 39.34 39.33 3k8m n TYR 173 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3k8m n ARG 174 N -0.52 -0.11 0.00 -0.72 3.00 -0.86 -0.30 116.66 117.16 3k8m n ARG 174 Ca 0.09 1.50 0.07 0.00 -0.00 0.00 0.00 57.85 59.50 3k8m n ARG 174 Cb 0.41 -2.24 0.33 0.00 0.00 0.00 0.00 32.46 30.96 3k8m n ARG 174 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3k8m n ASN 175 N -5.55 0.00 0.14 6.15 3.02 -1.26 -3.00 115.26 114.77 3k8m n ASN 175 Ca 0.15 0.25 0.12 0.00 -0.03 0.00 0.00 54.58 55.06 3k8m n ASN 175 Cb 0.47 -0.37 0.52 0.00 -0.61 0.00 0.00 39.78 39.79 3k8m n ASN 175 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3k8m n TYR 176 N -1.37 0.80 -4.34 3.10 0.53 0.59 -4.38 117.16 112.09 3k8m n TYR 176 Ca 0.05 0.34 -0.21 0.00 -1.02 0.00 0.00 57.90 57.07 3k8m n TYR 176 Cb 0.13 -1.05 -0.08 0.00 -1.03 0.00 0.00 39.34 37.31 3k8m n TYR 176 CO 0.00 0.00 0.00 0.71 -1.02 0.00 0.00 176.86 176.55 3k8m s TYR 177 N -3.39 1.74 -0.30 -0.72 2.02 -1.16 -0.02 117.35 115.52 3k8m s TYR 177 Ca 0.02 -1.56 -0.06 0.00 -0.37 0.00 0.00 57.07 55.10 3k8m s TYR 177 Cb 0.08 -0.83 0.02 0.00 -0.40 0.00 0.00 41.96 40.83 3k8m s TYR 177 CO 0.34 -0.71 0.07 -1.12 -1.57 0.00 0.00 175.55 172.56 3k8m s SER 178 N -3.43 5.11 0.14 2.29 0.01 -1.26 -4.68 113.70 111.88 3k8m s SER 178 Ca 0.36 -0.84 0.10 0.00 1.31 0.00 0.00 55.95 56.87 3k8m s SER 178 Cb 0.02 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 3k8m s SER 178 CO 0.24 -0.22 -0.18 -0.36 0.41 0.00 0.00 173.24 173.12 3k8m s PHE 179 N 1.46 2.50 -0.19 2.43 0.08 -1.26 -1.69 117.98 121.31 3k8m s PHE 179 Ca 0.01 -0.28 -0.28 0.00 0.12 0.00 0.00 56.93 56.50 3k8m s PHE 179 Cb -0.18 -1.29 0.11 0.00 -0.57 0.00 0.00 43.02 41.09 3k8m s PHE 179 CO 0.02 0.43 0.93 0.45 -0.10 0.00 0.00 175.22 176.94 3k8m s SER 180 N -2.36 -0.48 -0.02 1.36 0.15 0.37 -4.95 113.70 107.77 3k8m s SER 180 Ca 0.19 0.69 0.10 0.00 0.70 0.00 0.00 55.95 57.63 3k8m s SER 180 Cb -0.10 0.62 -0.23 0.00 -1.71 0.00 0.00 66.02 64.60 3k8m s SER 180 CO 0.11 -0.33 0.73 -0.33 1.20 0.00 0.00 173.24 174.62 3k8m h GLU 181 N 3.33 0.02 -2.46 5.44 4.39 -1.87 0.93 114.58 124.38 3k8m h GLU 181 Ca -0.24 -0.04 -0.59 0.00 0.34 0.00 0.00 59.36 58.83 3k8m h GLU 181 Cb 1.16 0.02 -0.38 0.00 -0.10 0.00 0.00 28.75 29.44 3k8m h GLU 181 CO 0.24 0.62 -0.93 0.34 -1.16 0.00 0.00 179.01 178.13 3k8m s ASP 182 N -6.26 1.95 0.14 1.42 2.15 -1.26 -4.82 116.67 110.00 3k8m s ASP 182 Ca -0.05 -2.90 -0.20 0.00 0.43 0.00 0.00 52.55 49.82 3k8m s ASP 182 Cb 0.08 -0.50 0.00 0.00 -0.30 0.00 0.00 42.92 42.21 3k8m s ASP 182 CO 0.82 -0.20 1.68 -0.65 -0.17 0.00 0.00 175.17 176.65 3k8m h PRO 183 N 5.95 -0.08 -0.40 4.34 0.11 -1.97 0.16 132.00 140.11 3k8m h PRO 183 Ca 0.21 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.40 3k8m h PRO 183 Cb 0.92 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 31.97 3k8m h PRO 183 CO 0.37 -0.05 -0.03 -0.22 -0.21 0.00 0.00 178.00 177.86 3k8m h LYS 184 N -0.08 0.07 0.08 1.05 3.64 -1.95 0.76 116.57 120.14 3k8m h LYS 184 Ca 0.12 -0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.21 3k8m h LYS 184 Cb 0.26 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3k8m h LYS 184 CO -0.27 0.05 -1.17 1.79 -2.27 0.00 0.00 179.45 177.57 3k8m h THR 185 N 0.07 1.29 -0.64 1.00 1.35 -1.93 -2.66 112.91 111.40 3k8m h THR 185 Ca 0.20 -2.42 -0.01 0.00 -0.55 0.00 0.00 66.41 63.63 3k8m h THR 185 Cb 0.29 2.59 -0.03 0.00 -1.73 0.00 0.00 68.15 69.27 3k8m h THR 185 CO -0.36 0.74 0.34 0.44 -0.25 0.00 0.00 175.52 176.43 3k8m h ASP 186 N 0.30 0.79 -0.07 5.36 3.32 -0.45 -0.89 116.42 124.79 3k8m h ASP 186 Ca -0.16 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 3k8m h ASP 186 Cb 1.84 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 41.18 3k8m h ASP 186 CO 0.22 0.65 0.00 0.40 -1.72 0.00 0.00 179.24 178.79 3k8m h ILE 187 N 0.89 1.24 -0.10 0.35 2.04 -0.88 -0.65 117.51 120.40 3k8m h ILE 187 Ca 0.23 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.37 3k8m h ILE 187 Cb 0.04 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3k8m h ILE 187 CO -0.04 0.21 0.09 0.00 0.00 0.00 0.00 178.15 178.42 3k8m h ALA 188 N 0.74 1.86 -0.00 1.87 0.00 -1.06 0.11 119.26 122.76 3k8m h ALA 188 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3k8m h ALA 188 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3k8m h ALA 188 CO 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 179.25 178.99 3k8m n ALA 189 N -2.43 2.78 -2.01 0.00 0.00 -0.38 -4.76 120.51 113.71 3k8m n ALA 189 Ca -0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 53.44 53.09 3k8m n ALA 189 Cb 0.20 -1.31 -0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 1.27 0.21 0.07 0.00 0.00 0.37 -4.94 105.19 102.18 3k8m n GLY 190 Ca 0.15 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.61 3k8m n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k8m h LYS 191 N 0.00 0.00 -4.46 1.61 6.56 -1.30 -3.43 116.57 115.56 3k8m h LYS 191 Ca -0.13 0.00 -0.71 0.00 -1.06 0.00 0.00 60.65 58.75 3k8m h LYS 191 Cb 1.02 0.00 -0.29 0.00 -0.57 0.00 0.00 32.23 32.39 3k8m h LYS 191 CO 0.16 0.00 -0.48 0.42 -2.06 0.00 0.00 179.45 177.49 3k8m s ILE 192 N -3.20 4.11 0.00 1.86 1.01 -1.25 -5.01 121.20 118.72 3k8m s ILE 192 Ca 0.05 -1.47 0.00 0.00 0.00 0.00 0.00 60.65 59.23 3k8m s ILE 192 Cb 0.13 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 39.05 3k8m s ILE 192 CO 0.73 -0.52 0.00 0.00 0.00 0.00 0.00 174.94 175.15 3k8m n ALA 193 N 4.88 0.59 0.00 9.38 0.00 -1.26 -3.77 120.51 130.33 3k8m n ALA 193 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3k8m n ALA 193 Cb 0.43 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 1.00 0.00 0.02 0.00 5.41 -1.26 -4.70 119.36 119.84 3k8m n ILE 195 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.76 3k8m n ILE 195 Cb 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 38.95 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 0.53 -0.74 1.39 -2.24 -1.25 -4.73 114.28 107.24 3k8m n THR 196 Ca 0.00 -0.76 0.07 0.00 -2.27 0.00 0.00 64.05 61.09 3k8m n THR 196 Cb 0.00 0.76 0.20 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.11 2.72 0.00 -0.78 1.13 -1.26 -4.58 117.38 114.50 3k8m n GLN 197 Ca 0.02 -2.53 0.00 0.00 -1.94 0.00 0.00 57.00 52.54 3k8m n GLN 197 Cb 0.17 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 28.92 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 -0.36 -0.32 0.00 -1.09 1.02 -1.26 -5.02 120.64 113.61 3k8m n GLU 198 Ca 0.17 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3k8m n GLU 198 Cb 0.71 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 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 0.02 -1.20 0.40 0.62 0.00 -1.26 -3.40 105.19 100.37 3k8m n GLY 199 Ca 0.00 -1.23 0.22 0.00 0.00 0.00 0.00 46.02 45.00 3k8m n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8m h ALA 200 N -0.26 2.35 -0.04 4.61 0.00 -1.87 0.09 119.26 124.15 3k8m h ALA 200 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3k8m h ALA 200 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3k8m h ALA 200 CO 0.00 -0.71 0.09 0.00 0.00 0.00 0.00 179.25 178.62 3k8m h ALA 201 N 1.60 1.32 -0.10 0.00 0.00 -1.95 -0.77 119.26 119.35 3k8m h ALA 201 Ca 0.25 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3k8m h ALA 201 Cb 1.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3k8m h ALA 201 CO -0.00 -0.11 0.12 0.78 0.00 0.00 0.00 179.25 180.04 3k8m h GLY 202 N 0.00 0.00 -4.30 0.00 0.00 -1.09 -3.41 103.07 94.27 3k8m h GLY 202 Ca 0.02 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.82 3k8m h GLY 202 CO -0.00 0.00 0.45 -0.47 0.00 0.00 0.00 176.54 176.52 3k8m s TYR 203 N -4.61 3.60 -0.20 5.60 5.04 -0.30 -5.02 117.35 121.47 3k8m s TYR 203 Ca -0.05 1.57 -0.04 0.00 -2.44 0.00 0.00 57.07 56.11 3k8m s TYR 203 Cb 0.15 -3.24 0.09 0.00 0.35 0.00 0.00 41.96 39.31 3k8m s TYR 203 CO 0.54 -0.50 0.21 1.21 -1.34 0.00 0.00 175.55 175.67 3k8m s ASN 204 N 0.60 1.45 0.48 4.32 2.47 -1.26 -5.05 114.94 117.95 3k8m s ASN 204 Ca 0.53 -0.25 0.32 0.00 0.42 0.00 0.00 52.86 53.87 3k8m s ASN 204 Cb -0.26 0.33 1.42 0.00 -1.45 0.00 0.00 41.25 41.30 3k8m s ASN 204 CO 0.30 -0.33 1.74 0.00 -3.72 0.00 0.00 177.10 175.09 3k8m h ALA 205 N 8.32 2.88 0.00 1.71 0.00 -1.95 0.28 119.26 130.50 3k8m h ALA 205 Ca -0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3k8m h ALA 205 Cb 1.15 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3k8m h ALA 205 CO 0.28 -1.32 0.00 0.00 0.00 0.00 0.00 179.25 178.21 3k8m h ALA 206 N 1.46 1.00 -0.53 0.00 0.00 -1.97 -3.02 119.26 116.20 3k8m h ALA 206 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.57 3k8m h ALA 206 Cb 2.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.06 3k8m h ALA 206 CO -0.16 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.48 3k8m n GLU 207 N -2.46 2.31 -4.49 0.00 1.02 0.09 -4.35 120.64 112.76 3k8m n GLU 207 Ca 0.02 -1.94 -0.23 0.00 -0.02 0.00 0.00 57.16 54.99 3k8m n GLU 207 Cb 0.27 -1.45 -0.16 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.34 1.24 0.12 -0.32 0.52 -1.14 -0.75 118.94 117.28 3k8m s TRP 208 Ca 0.36 -0.40 0.06 0.00 0.02 0.00 0.00 56.10 56.14 3k8m s TRP 208 Cb 0.19 -0.91 -0.04 0.00 -1.15 0.00 0.00 33.47 31.56 3k8m s TRP 208 CO 0.24 -0.21 -0.15 -0.06 0.02 0.00 0.00 176.95 176.78 3k8m s PHE 209 N 0.53 1.49 0.18 -1.98 0.08 -0.94 -4.95 117.98 112.40 3k8m s PHE 209 Ca -0.10 -0.52 -0.27 0.00 0.12 0.00 0.00 56.93 56.16 3k8m s PHE 209 Cb -0.14 -0.78 -0.08 0.00 -0.57 0.00 0.00 43.02 41.45 3k8m s PHE 209 CO 0.02 0.17 0.82 1.14 -0.10 0.00 0.00 175.22 177.28 3k8m s GLN 210 N -2.53 4.65 0.24 0.44 -2.07 -1.26 -0.52 119.66 118.62 3k8m s GLN 210 Ca 0.09 1.25 -0.06 0.00 -1.82 0.00 0.00 55.36 54.83 3k8m s GLN 210 Cb -0.06 -3.27 0.26 0.00 -1.09 0.00 0.00 33.01 28.85 3k8m s GLN 210 CO 0.04 0.55 1.85 0.28 -1.32 0.00 0.00 175.29 176.69 3k8m h VAL 211 N 3.29 1.25 -1.27 3.63 2.07 -0.86 -3.47 116.25 120.90 3k8m h VAL 211 Ca -0.46 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.41 3k8m h VAL 211 Cb 1.20 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3k8m h VAL 211 CO 0.67 0.29 0.05 -1.54 0.02 0.00 0.00 177.57 177.06 3k8m n SER 212 N -4.32 -0.08 0.01 0.57 3.41 -1.26 -5.02 113.62 106.93 3k8m n SER 212 Ca 0.08 -1.02 0.11 0.00 -0.26 0.00 0.00 58.87 57.78 3k8m n SER 212 Cb 0.12 0.12 0.01 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.26 0.65 -4.76 4.04 8.00 -1.26 -4.62 116.55 118.34 3k8m n ASP 213 Ca 0.00 -0.40 -0.38 0.00 0.71 0.00 0.00 54.79 54.73 3k8m n ASP 213 Cb 0.04 0.85 0.03 0.00 -0.02 0.00 0.00 41.12 42.01 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 -3.14 3.32 0.29 -1.24 2.12 -1.26 -4.90 118.70 113.89 3k8m s GLU 214 Ca 0.05 2.10 0.03 0.00 0.36 0.00 0.00 54.97 57.50 3k8m s GLU 214 Cb 0.15 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 32.21 3k8m s GLU 214 CO 0.81 -1.00 0.15 0.95 -0.54 0.00 0.00 175.26 175.63 3k8m s THR 215 N -1.38 0.34 0.46 -1.70 -4.23 -1.26 -4.56 115.64 103.31 3k8m s THR 215 Ca 0.69 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.98 3k8m s THR 215 Cb -0.37 -2.53 -0.08 0.00 1.34 0.00 0.00 72.50 70.87 3k8m s THR 215 CO 0.44 0.00 1.11 0.00 -0.54 0.00 0.00 174.62 175.63 3k8m s ALA 216 N -3.65 2.95 0.59 3.99 0.00 -1.26 -5.02 121.76 119.35 3k8m s ALA 216 Ca 0.36 0.81 -0.09 0.00 0.00 0.00 0.00 51.96 53.04 3k8m s ALA 216 Cb 0.05 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 3k8m s ALA 216 CO 0.17 -0.50 0.96 0.00 0.00 0.00 0.00 175.76 176.39 3k8m s ALA 217 N -1.67 3.17 -0.10 0.00 0.00 -1.26 -4.75 121.76 117.15 3k8m s ALA 217 Ca 0.64 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.37 3k8m s ALA 217 Cb -0.24 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 3k8m s ALA 217 CO 0.30 -0.63 -0.12 0.08 0.00 0.00 0.00 175.76 175.38 3k8m s VAL 218 N -3.07 3.18 0.05 0.00 1.01 -0.66 -4.98 120.40 115.93 3k8m s VAL 218 Ca 0.53 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3k8m s VAL 218 Cb -0.11 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 3k8m s VAL 218 CO 0.51 0.55 -0.05 -0.54 0.00 0.00 0.00 175.10 175.57 3k8m s LYS 219 N -0.07 0.53 0.00 2.72 1.02 -1.26 -1.84 119.74 120.83 3k8m s LYS 219 Ca -0.02 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 55.07 3k8m s LYS 219 Cb -0.14 -0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.13 3k8m s LYS 219 CO 0.04 -0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 3k8m n GLY 220 N 0.97 3.85 3.61 -3.33 0.00 -0.63 -4.97 105.19 104.68 3k8m n GLY 220 Ca -0.20 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 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 3.65 -0.03 0.99 1.43 -1.26 -1.25 118.68 122.22 3k8m s LEU 221 Ca 0.00 0.78 0.04 0.00 -1.03 0.00 0.00 54.13 53.92 3k8m s LEU 221 Cb 0.00 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.67 3k8m s LEU 221 CO 0.00 -1.31 -0.13 -0.76 0.23 0.00 0.00 176.35 174.38 3k8m s LEU 222 N 4.93 1.89 -0.24 1.79 1.43 -0.72 -1.57 118.68 126.19 3k8m s LEU 222 Ca 0.56 -0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 53.31 3k8m s LEU 222 Cb -0.12 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 3k8m s LEU 222 CO 0.30 0.12 0.13 -0.75 0.23 0.00 0.00 176.35 176.39 3k8m s LYS 223 N 0.02 3.92 -0.21 1.70 2.20 -0.07 -1.64 119.74 125.66 3k8m s LYS 223 Ca -0.01 -0.35 -0.07 0.00 -0.36 0.00 0.00 55.97 55.18 3k8m s LYS 223 Cb -0.09 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 3k8m s LYS 223 CO 0.01 -0.03 0.07 -0.06 -0.36 0.00 0.00 175.35 174.97 3k8m s PHE 224 N 1.29 3.16 -0.16 4.03 0.40 0.15 -1.44 117.98 125.41 3k8m s PHE 224 Ca 0.06 -0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 3k8m s PHE 224 Cb -0.14 -2.15 0.00 0.00 0.51 0.00 0.00 43.02 41.24 3k8m s PHE 224 CO 0.06 -0.08 -0.16 0.99 0.70 0.00 0.00 175.22 176.73 3k8m s THR 225 N 0.95 2.60 -0.18 0.64 2.01 0.13 -1.87 115.64 119.91 3k8m s THR 225 Ca 0.04 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.20 3k8m s THR 225 Cb -0.14 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 3k8m s THR 225 CO 0.03 0.51 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.71 3k8m s LEU 226 N 0.90 3.33 -0.33 4.42 1.43 0.13 -0.90 118.68 127.65 3k8m s LEU 226 Ca -0.04 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 52.85 3k8m s LEU 226 Cb -0.15 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.27 3k8m s LEU 226 CO -0.02 0.11 0.11 -0.62 0.23 0.00 0.00 176.35 176.16 3k8m s ASP 227 N 0.73 5.32 -0.32 2.29 3.68 -0.05 -0.34 116.67 127.96 3k8m s ASP 227 Ca -0.00 -1.02 0.09 0.00 2.13 0.00 0.00 52.55 53.75 3k8m s ASP 227 Cb -0.14 -1.89 0.59 0.00 -1.45 0.00 0.00 42.92 40.03 3k8m s ASP 227 CO 0.02 -0.30 1.63 1.87 0.13 0.00 0.00 175.17 178.52 3k8m n TRP 228 N 4.85 1.79 -0.16 -5.34 -0.00 0.24 -1.06 117.44 117.77 3k8m n TRP 228 Ca -0.13 -1.52 -0.10 0.00 -0.00 0.00 0.00 57.50 55.76 3k8m n TRP 228 Cb 0.46 -0.62 -0.00 0.00 -0.00 0.00 0.00 31.31 31.14 3k8m n TRP 228 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 177.69 178.46 3k8m h SER 229 N 1.35 0.74 -2.02 5.87 0.02 -1.87 -3.27 113.55 114.37 3k8m h SER 229 Ca 0.31 -0.27 -0.78 0.00 -0.84 0.00 0.00 61.79 60.21 3k8m h SER 229 Cb 2.05 -0.20 -0.21 0.00 0.14 0.00 0.00 62.40 64.18 3k8m h SER 229 CO 0.61 0.83 1.49 0.59 -1.14 0.00 0.00 176.83 179.21 3k8m n ASN 230 N -4.44 6.56 -0.01 3.07 5.03 -1.26 -4.90 115.26 119.31 3k8m n ASN 230 Ca 0.00 -3.34 0.00 0.00 0.87 0.00 0.00 54.58 52.12 3k8m n ASN 230 Cb 0.26 -1.32 0.00 0.00 -1.02 0.00 0.00 39.78 37.70 3k8m n ASN 230 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k8m n ALA 231 N 1.81 0.00 0.02 5.41 0.00 -1.24 0.92 120.51 127.43 3k8m n ALA 231 Ca 0.41 0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.76 3k8m n ALA 231 Cb 0.31 -0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.44 -3.15 0.00 0.13 -1.93 -3.35 132.00 123.26 3k8m h PRO 232 Ca 0.01 0.03 -0.62 0.00 -0.87 0.00 0.00 66.00 64.55 3k8m h PRO 232 Cb 0.02 0.10 -0.41 0.00 0.13 0.00 0.00 31.00 30.84 3k8m h PRO 232 CO -0.03 -0.29 -0.66 0.45 -0.23 0.00 0.00 178.00 177.23 3k8m s SER 233 N -4.88 4.10 0.89 1.44 0.15 0.26 -4.64 113.70 111.02 3k8m s SER 233 Ca -0.15 -3.10 -0.11 0.00 0.70 0.00 0.00 55.95 53.28 3k8m s SER 233 Cb 0.10 -1.41 0.13 0.00 -1.71 0.00 0.00 66.02 63.13 3k8m s SER 233 CO 0.65 -0.20 1.09 -2.16 1.20 0.00 0.00 173.24 173.82 3k8m s PRO 234 N -0.37 1.27 0.02 5.44 0.04 -1.21 -4.64 135.00 135.56 3k8m s PRO 234 Ca 0.20 0.88 0.08 0.00 0.04 0.00 0.00 61.00 62.20 3k8m s PRO 234 Cb -0.19 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3k8m s PRO 234 CO -0.05 -2.25 -0.23 0.42 0.04 0.00 0.00 177.00 174.93 3k8m s ILE 235 N -2.90 1.88 -0.02 0.56 1.01 -0.22 -1.88 121.20 119.62 3k8m s ILE 235 Ca 0.63 -1.17 0.07 0.00 0.00 0.00 0.00 60.65 60.18 3k8m s ILE 235 Cb -0.18 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 3k8m s ILE 235 CO 0.57 0.38 -0.24 -0.22 0.00 0.00 0.00 174.94 175.43 3k8m s LEU 236 N -0.94 2.15 -0.01 2.97 2.96 -0.51 -0.87 118.68 124.42 3k8m s LEU 236 Ca 0.09 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 3k8m s LEU 236 Cb -0.09 -1.37 0.01 0.00 0.50 0.00 0.00 46.19 45.24 3k8m s LEU 236 CO 0.01 0.32 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.65 3k8m s VAL 237 N -0.63 0.23 -0.05 1.68 1.01 -0.08 -1.46 120.40 121.10 3k8m s VAL 237 Ca 0.10 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.08 3k8m s VAL 237 Cb -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 3k8m s VAL 237 CO -0.01 0.10 -0.21 -0.69 0.00 0.00 0.00 175.10 174.30 3k8m s VAL 238 N 0.37 2.50 0.16 2.92 1.01 -1.26 0.19 120.40 126.28 3k8m s VAL 238 Ca -0.04 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 3k8m s VAL 238 Cb -0.06 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 3k8m s VAL 238 CO -0.01 0.58 0.18 -0.94 0.00 0.00 0.00 175.10 174.91 3k8m s SER 239 N -0.49 0.16 -0.07 3.32 1.04 -0.52 -0.26 113.70 116.88 3k8m s SER 239 Ca 0.06 -1.10 -0.30 0.00 0.48 0.00 0.00 55.95 55.10 3k8m s SER 239 Cb -0.11 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 3k8m s SER 239 CO 0.01 -0.83 1.52 -0.89 0.98 0.00 0.00 173.24 174.02 3k8m s THR 240 N -4.04 3.76 0.54 2.02 2.01 -1.26 -0.89 115.64 117.77 3k8m s THR 240 Ca 0.24 0.97 0.02 0.00 0.31 0.00 0.00 61.69 63.23 3k8m s THR 240 Cb 0.05 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 68.97 3k8m s THR 240 CO 0.03 -0.07 0.75 -0.83 -0.69 0.00 0.00 174.62 173.82 3k8m s GLY 241 N 2.74 1.83 -0.08 4.40 0.00 -0.61 -4.71 107.32 110.89 3k8m s GLY 241 Ca 0.67 -1.35 -0.09 0.00 0.00 0.00 0.00 44.72 43.95 3k8m s GLY 241 CO 0.25 -1.08 -0.17 -1.30 0.00 0.00 0.00 173.10 170.80 3k8m n THR 242 N -2.29 0.76 -4.60 0.90 -2.24 -1.26 -4.70 114.28 100.85 3k8m n THR 242 Ca 0.08 0.31 -0.22 0.00 -2.27 0.00 0.00 64.05 61.94 3k8m n THR 242 Cb 0.60 -1.89 -0.15 0.00 -2.10 0.00 0.00 70.33 66.78 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 -1.94 1.21 0.25 -0.78 2.20 -1.26 -4.97 119.74 114.44 3k8m s LYS 243 Ca -0.14 -0.46 -0.31 0.00 -0.36 0.00 0.00 55.97 54.70 3k8m s LYS 243 Cb 0.02 -1.12 -0.12 0.00 -1.51 0.00 0.00 37.83 35.10 3k8m s LYS 243 CO 0.20 0.23 1.56 0.00 -0.36 0.00 0.00 175.35 176.98 3k8m n ALA 244 N 3.00 2.06 -1.75 3.13 0.00 -1.26 -4.84 120.51 120.84 3k8m n ALA 244 Ca -0.16 0.40 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 3k8m n ALA 244 Cb 0.54 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 3k8m n ALA 244 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k8m s ASP 245 N 0.58 6.16 0.54 0.00 1.01 -0.41 -4.99 116.67 119.55 3k8m s ASP 245 Ca 0.68 1.69 -0.17 0.00 0.71 0.00 0.00 52.55 55.46 3k8m s ASP 245 Cb -0.56 -2.52 -0.06 0.00 1.01 0.00 0.00 42.92 40.79 3k8m s ASP 245 CO 0.45 -0.91 1.03 -1.83 0.21 0.00 0.00 175.17 174.13 3k8m s GLU 246 N -4.15 3.61 0.29 8.23 -1.05 -1.26 -4.92 118.70 119.45 3k8m s GLU 246 Ca 0.61 1.20 -0.29 0.00 -0.15 0.00 0.00 54.97 56.34 3k8m s GLU 246 Cb -0.13 -2.07 -0.13 0.00 -0.44 0.00 0.00 34.13 31.35 3k8m s GLU 246 CO 0.36 -0.57 1.21 -0.25 0.95 0.00 0.00 175.26 176.96 3k8m n ASP 247 N -1.58 2.19 -4.63 0.83 8.00 -1.26 -4.82 116.55 115.28 3k8m n ASP 247 Ca 0.08 1.18 -0.43 0.00 0.71 0.00 0.00 54.79 56.34 3k8m n ASP 247 Cb 0.53 -1.39 -0.03 0.00 -0.02 0.00 0.00 41.12 40.21 3k8m n ASP 247 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3k8m s ASN 248 N -0.24 5.99 0.52 -2.24 3.84 -1.26 -4.86 114.94 116.69 3k8m s ASN 248 Ca 0.60 2.05 0.29 0.00 0.21 0.00 0.00 52.86 56.01 3k8m s ASN 248 Cb -0.65 -2.52 1.40 0.00 -0.55 0.00 0.00 41.25 38.93 3k8m s ASN 248 CO 0.58 -1.51 2.03 1.55 -2.79 0.00 0.00 177.10 176.96 3k8m h PRO 249 N 12.59 0.00 -6.48 0.43 0.13 -1.98 -3.42 132.00 133.27 3k8m h PRO 249 Ca -0.42 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.15 3k8m h PRO 249 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 3k8m h PRO 249 CO 0.97 0.12 1.04 0.34 -0.23 0.00 0.00 178.00 180.23 3k8m s ASP 250 N -6.00 6.45 -0.22 1.44 -1.08 -1.26 -4.89 116.67 111.11 3k8m s ASP 250 Ca -0.02 0.95 0.06 0.00 -0.52 0.00 0.00 52.55 53.03 3k8m s ASP 250 Cb 0.12 -2.54 0.51 0.00 -1.46 0.00 0.00 42.92 39.55 3k8m s ASP 250 CO 0.57 -1.31 1.47 0.35 0.52 0.00 0.00 175.17 176.77 3k8m n THR 251 N 6.78 2.14 -2.24 1.71 -2.24 -1.26 -4.92 114.28 114.25 3k8m n THR 251 Ca 0.16 -1.10 -0.42 0.00 -2.27 0.00 0.00 64.05 60.42 3k8m n THR 251 Cb 0.47 -0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 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 -0.53 2.35 0.04 3.38 0.00 -1.26 -4.91 107.32 106.38 3k8m s GLY 252 Ca 0.38 1.07 0.25 0.00 0.00 0.00 0.00 44.72 46.41 3k8m s GLY 252 CO 0.09 2.12 1.37 -1.30 0.00 0.00 0.00 173.10 175.38 3k8m n THR 253 N 3.09 0.11 -1.82 0.90 -2.24 -1.26 -4.68 114.28 108.38 3k8m n THR 253 Ca 0.08 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 3k8m n THR 253 Cb 0.43 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 3k8m n THR 253 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3k8m s ASP 254 N -3.40 5.96 -1.63 3.42 3.84 -1.26 -2.33 116.67 121.27 3k8m s ASP 254 Ca 0.09 1.87 -0.02 0.00 -0.00 0.00 0.00 52.55 54.50 3k8m s ASP 254 Cb 0.16 -2.52 0.00 0.00 -1.38 0.00 0.00 42.92 39.18 3k8m s ASP 254 CO 0.71 -1.56 0.23 0.59 -0.00 0.00 0.00 175.17 175.13 3k8m n ASN 255 N 9.82 -5.83 -4.79 2.11 3.02 -1.26 -4.97 115.26 113.37 3k8m n ASN 255 Ca 0.24 -0.12 -0.39 0.00 -0.03 0.00 0.00 54.58 54.28 3k8m n ASN 255 Cb 0.45 -4.77 -0.06 0.00 -0.61 0.00 0.00 39.78 34.79 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 -3.06 3.52 -0.05 5.41 0.00 -0.98 -5.06 121.76 121.53 3k8m s ALA 256 Ca 0.11 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.25 3k8m s ALA 256 Cb -0.05 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 3k8m s ALA 256 CO 0.14 0.31 -0.08 0.15 0.00 0.00 0.00 175.76 176.29 3k8m s LYS 257 N -0.95 2.67 0.03 0.00 -0.14 -1.26 -4.47 119.74 115.62 3k8m s LYS 257 Ca 0.32 -0.61 0.05 0.00 -1.36 0.00 0.00 55.97 54.37 3k8m s LYS 257 Cb -0.21 -2.54 -0.02 0.00 -1.68 0.00 0.00 37.83 33.38 3k8m s LYS 257 CO 0.22 0.64 -0.15 0.71 -0.76 0.00 0.00 175.35 176.01 3k8m s TYR 258 N -0.85 1.30 -0.25 3.18 2.02 0.53 -0.31 117.35 122.97 3k8m s TYR 258 Ca 0.13 -0.33 -0.09 0.00 -0.37 0.00 0.00 57.07 56.42 3k8m s TYR 258 Cb -0.11 -0.79 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 3k8m s TYR 258 CO 0.03 0.03 0.12 -1.17 -1.57 0.00 0.00 175.55 172.99 3k8m s LEU 259 N -0.96 3.79 -0.15 -1.29 2.96 0.11 -0.39 118.68 122.75 3k8m s LEU 259 Ca 0.03 -0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 53.89 3k8m s LEU 259 Cb -0.07 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 3k8m s LEU 259 CO 0.01 0.00 -0.14 -0.47 -1.32 0.00 0.00 176.35 174.43 3k8m s TYR 260 N 1.43 2.80 0.21 5.38 5.04 0.75 -1.09 117.35 131.87 3k8m s TYR 260 Ca 0.06 -0.91 -0.22 0.00 -2.44 0.00 0.00 57.07 53.56 3k8m s TYR 260 Cb -0.15 -1.89 0.06 0.00 0.35 0.00 0.00 41.96 40.34 3k8m s TYR 260 CO 0.06 -0.40 0.94 1.52 -1.34 0.00 0.00 175.55 176.34 3k8m s TYR 261 N 0.71 -0.02 0.00 4.97 -0.85 0.35 -0.73 117.35 121.78 3k8m s TYR 261 Ca -0.06 -0.39 0.00 0.00 -0.52 0.00 0.00 57.07 56.10 3k8m s TYR 261 Cb -0.15 0.70 0.00 0.00 0.38 0.00 0.00 41.96 42.88 3k8m s TYR 261 CO 0.02 -1.01 0.00 0.41 -1.52 0.00 0.00 175.55 173.45 3k8m n GLY 262 N -0.56 2.66 3.44 5.49 0.00 -1.26 -0.61 105.19 114.36 3k8m n GLY 262 Ca -0.05 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 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 13.00 3.37 -2.41 1.61 1.02 -1.26 -4.45 120.64 131.52 3k8m n GLU 263 Ca 0.00 -3.78 -0.20 0.00 -0.02 0.00 0.00 57.16 53.16 3k8m n GLU 263 Cb 0.00 -3.08 -0.01 0.00 -0.02 0.00 0.00 31.44 28.34 3k8m n GLU 263 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3k8m n ASP 264 N 5.78 -5.65 -4.70 1.62 -0.08 -1.24 -4.96 116.55 107.33 3k8m n ASP 264 Ca 0.38 -0.03 -0.41 0.00 -1.51 0.00 0.00 54.79 53.22 3k8m n ASP 264 Cb 0.43 -4.67 -0.04 0.00 2.34 0.00 0.00 41.12 39.18 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 -2.99 4.92 -0.10 5.18 -1.09 0.22 -4.92 121.20 122.42 3k8m s ILE 265 Ca 0.02 1.76 -0.01 0.00 -2.23 0.00 0.00 60.65 60.19 3k8m s ILE 265 Cb -0.01 -4.19 0.03 0.00 -1.58 0.00 0.00 42.46 36.71 3k8m s ILE 265 CO 0.02 0.14 -0.06 0.00 -1.23 0.00 0.00 174.94 173.81 3k8m s LYS 267 N 1.72 1.40 0.05 0.00 -0.14 -0.25 -4.95 119.74 117.58 3k8m s LYS 267 Ca 0.04 -0.78 -0.21 0.00 -1.36 0.00 0.00 55.97 53.65 3k8m s LYS 267 Cb -0.13 -1.42 -0.06 0.00 -1.68 0.00 0.00 37.83 34.54 3k8m s LYS 267 CO -0.07 0.38 0.63 0.21 -0.76 0.00 0.00 175.35 175.74 3k8m s LYS 268 N -0.80 4.33 0.74 1.68 2.20 -1.26 0.06 119.74 126.69 3k8m s LYS 268 Ca 0.07 0.83 -0.11 0.00 -0.36 0.00 0.00 55.97 56.40 3k8m s LYS 268 Cb -0.08 -3.29 0.03 0.00 -1.51 0.00 0.00 37.83 32.98 3k8m s LYS 268 CO 0.00 0.49 1.09 -0.06 -0.36 0.00 0.00 175.35 176.52 3k8m s PHE 269 N -0.66 3.13 -0.13 4.03 0.40 0.57 -4.49 117.98 120.84 3k8m s PHE 269 Ca 0.32 1.11 -0.12 0.00 -0.60 0.00 0.00 56.93 57.64 3k8m s PHE 269 Cb -0.20 -3.08 -0.05 0.00 0.51 0.00 0.00 43.02 40.21 3k8m s PHE 269 CO 0.20 -1.41 0.25 0.71 0.70 0.00 0.00 175.22 175.67 3k8m s TYR 270 N -3.26 3.54 -0.28 0.36 1.51 -0.34 -4.75 117.35 114.12 3k8m s TYR 270 Ca 0.59 0.61 -0.26 0.00 -1.01 0.00 0.00 57.07 57.00 3k8m s TYR 270 Cb -0.12 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.53 3k8m s TYR 270 CO 0.53 0.45 0.89 0.34 -1.11 0.00 0.00 175.55 176.65 3k8m s ASP 271 N -0.23 6.83 0.00 2.29 -1.08 -1.26 -1.11 116.67 122.11 3k8m s ASP 271 Ca 0.16 0.95 0.22 0.00 -0.52 0.00 0.00 52.55 53.37 3k8m s ASP 271 Cb -0.13 -2.46 0.42 0.00 -1.46 0.00 0.00 42.92 39.29 3k8m s ASP 271 CO 0.05 -0.64 1.38 0.29 0.52 0.00 0.00 175.17 176.77 3k8m n LYS 272 N 6.28 2.48 0.00 4.34 4.76 0.20 -4.99 118.16 131.23 3k8m n LYS 272 Ca 0.07 -2.27 0.00 0.00 -2.87 0.00 0.00 58.31 53.24 3k8m n LYS 272 Cb 0.47 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 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 1.45 -0.41 3.16 0.72 0.00 -1.23 -4.90 105.19 103.98 3k8m n GLY 273 Ca 0.19 -1.56 -0.19 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.89 -5.54 -2.26 1.61 4.13 -1.26 -2.66 115.26 108.39 3k8m n ASN 274 Ca 0.00 -0.42 -0.18 0.00 1.68 0.00 0.00 54.58 55.66 3k8m n ASN 274 Cb 0.00 -4.17 -0.02 0.00 -1.54 0.00 0.00 39.78 34.05 3k8m n ASN 274 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3k8m n ASN 275 N -2.12 -5.13 -4.22 6.41 3.02 -1.26 -4.78 115.26 107.18 3k8m n ASN 275 Ca 0.00 0.13 -0.34 0.00 -0.03 0.00 0.00 54.58 54.34 3k8m n ASN 275 Cb 0.55 -4.35 -0.15 0.00 -0.61 0.00 0.00 39.78 35.23 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 -2.83 2.64 0.03 2.41 1.01 -1.09 0.83 121.20 124.20 3k8m s ILE 276 Ca 0.00 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 59.97 3k8m s ILE 276 Cb 0.00 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 3k8m s ILE 276 CO 0.00 0.50 -0.21 -0.31 0.00 0.00 0.00 174.94 174.92 3k8m s TYR 277 N 1.20 2.48 0.03 3.97 2.02 0.53 -0.63 117.35 126.95 3k8m s TYR 277 Ca 0.02 -0.31 -0.00 0.00 -0.37 0.00 0.00 57.07 56.41 3k8m s TYR 277 Cb -0.14 -1.46 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 3k8m s TYR 277 CO -0.06 0.19 -0.03 -2.00 -1.57 0.00 0.00 175.55 172.08 3k8m s GLU 278 N -1.25 0.37 -0.24 -0.62 2.12 -0.26 0.19 118.70 119.00 3k8m s GLU 278 Ca 0.13 -0.74 -0.26 0.00 0.36 0.00 0.00 54.97 54.46 3k8m s GLU 278 Cb -0.10 0.13 0.11 0.00 0.26 0.00 0.00 34.13 34.52 3k8m s GLU 278 CO 0.03 -0.06 0.93 -1.17 -0.54 0.00 0.00 175.26 174.45 3k8m s LEU 279 N -1.76 -0.52 -0.09 2.70 2.96 -0.78 -1.20 118.68 119.98 3k8m s LEU 279 Ca -0.11 0.90 0.02 0.00 -0.22 0.00 0.00 54.13 54.72 3k8m s LEU 279 Cb -0.06 2.06 0.01 0.00 0.50 0.00 0.00 46.19 48.70 3k8m s LEU 279 CO -0.03 -0.24 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.72 3k8m s THR 280 N -0.08 1.45 0.14 3.68 2.01 -1.26 0.32 115.64 121.90 3k8m s THR 280 Ca 0.00 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.40 3k8m s THR 280 Cb -0.04 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 3k8m s THR 280 CO -0.02 0.43 -0.06 0.68 -0.69 0.00 0.00 174.62 174.96 3k8m s VAL 281 N 0.82 0.89 -1.29 3.82 -7.23 -0.65 -1.29 120.40 115.47 3k8m s VAL 281 Ca -0.10 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 57.93 3k8m s VAL 281 Cb -0.16 -1.86 0.12 0.00 0.56 0.00 0.00 36.38 35.05 3k8m s VAL 281 CO 0.01 -0.73 1.75 -0.67 -0.31 0.00 0.00 175.10 175.16 3k8m n ASP 282 N -0.16 4.90 -4.75 4.85 -0.08 -1.26 -1.76 116.55 118.29 3k8m n ASP 282 Ca -0.10 -2.97 -0.38 0.00 -1.51 0.00 0.00 54.79 49.82 3k8m n ASP 282 Cb 0.61 -1.61 0.04 0.00 2.34 0.00 0.00 41.12 42.50 3k8m n ASP 282 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3k8m s PHE 283 N 2.21 2.33 -0.30 -0.67 5.36 -0.38 -4.84 117.98 121.70 3k8m s PHE 283 Ca 0.46 1.37 -0.11 0.00 -0.96 0.00 0.00 56.93 57.69 3k8m s PHE 283 Cb 0.05 -3.79 0.15 0.00 -0.34 0.00 0.00 43.02 39.09 3k8m s PHE 283 CO 0.01 -2.83 0.79 -2.00 -1.46 0.00 0.00 175.22 169.72 3k8m s GLU 284 N -2.85 0.45 -0.28 10.12 2.12 -1.25 -1.61 118.70 125.40 3k8m s GLU 284 Ca 0.70 1.07 -0.18 0.00 0.36 0.00 0.00 54.97 56.92 3k8m s GLU 284 Cb -0.40 0.64 0.10 0.00 0.26 0.00 0.00 34.13 34.73 3k8m s GLU 284 CO 0.48 -0.23 0.81 0.45 -0.54 0.00 0.00 175.26 176.24 3k8m s SER 285 N 2.75 -0.74 0.02 -1.70 0.15 -0.77 -4.01 113.70 109.40 3k8m s SER 285 Ca -0.01 1.23 0.11 0.00 0.70 0.00 0.00 55.95 57.99 3k8m s SER 285 Cb -0.10 1.29 -0.21 0.00 -1.71 0.00 0.00 66.02 65.29 3k8m s SER 285 CO -0.18 -0.20 0.86 0.71 1.20 0.00 0.00 173.24 175.63 3k8m h THR 286 N 4.71 1.08 0.00 6.45 1.35 -1.90 -1.76 112.91 122.84 3k8m h THR 286 Ca -0.29 -2.86 0.00 0.00 -0.55 0.00 0.00 66.41 62.71 3k8m h THR 286 Cb 1.20 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 3k8m h THR 286 CO 0.15 0.61 -1.49 -2.67 -0.25 0.00 0.00 175.52 171.87 3k8m n TRP 287 N -3.13 0.08 0.00 4.73 4.27 -1.26 -4.70 117.44 117.43 3k8m n TRP 287 Ca -0.11 0.02 0.00 0.00 -3.89 0.00 0.00 57.50 53.52 3k8m n TRP 287 Cb 1.00 -0.34 0.00 0.00 -1.36 0.00 0.00 31.31 30.61 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 1.35 0.17 3.55 -1.67 0.00 -1.26 -4.76 105.19 102.57 3k8m n GLY 288 Ca -0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 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 0.40 0.02 0.99 0.05 0.67 -4.19 118.68 116.61 3k8m s LEU 289 Ca 0.00 -0.94 -0.04 0.00 0.05 0.00 0.00 54.13 53.20 3k8m s LEU 289 Cb 0.00 1.66 -0.01 0.00 -2.05 0.00 0.00 46.19 45.79 3k8m s LEU 289 CO 0.00 -1.10 0.06 -0.76 -0.55 0.00 0.00 176.35 174.00 3k8m s LEU 290 N -3.02 1.90 -0.10 1.48 1.43 0.09 -0.53 118.68 119.93 3k8m s LEU 290 Ca 0.23 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.87 3k8m s LEU 290 Cb 0.00 0.43 -0.03 0.00 0.03 0.00 0.00 46.19 46.62 3k8m s LEU 290 CO 0.08 -0.39 0.01 -0.63 0.23 0.00 0.00 176.35 175.65 3k8m s ILE 291 N -1.83 4.41 0.08 -0.59 -1.09 -0.56 -0.18 121.20 121.43 3k8m s ILE 291 Ca -0.12 -0.20 0.05 0.00 -2.23 0.00 0.00 60.65 58.15 3k8m s ILE 291 Cb -0.06 -2.88 -0.03 0.00 -1.58 0.00 0.00 42.46 37.91 3k8m s ILE 291 CO -0.01 0.59 -0.15 -0.13 -1.23 0.00 0.00 174.94 174.01 3k8m s ARG 292 N -0.70 0.85 0.00 2.79 0.52 0.48 -0.75 118.95 122.14 3k8m s ARG 292 Ca 0.11 -0.99 0.17 0.00 -0.52 0.00 0.00 55.73 54.50 3k8m s ARG 292 Cb -0.12 -0.86 0.45 0.00 0.52 0.00 0.00 34.95 34.94 3k8m s ARG 292 CO 0.02 0.19 1.37 0.25 0.02 0.00 0.00 175.30 177.15 3k8m n THR 293 N 1.20 0.90 -3.82 0.02 -2.24 -0.72 -0.35 114.28 109.27 3k8m n THR 293 Ca -0.21 -0.95 -0.12 0.00 -2.27 0.00 0.00 64.05 60.50 3k8m n THR 293 Cb 0.54 0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.05 -0.10 -0.10 3.42 0.15 -1.26 -4.68 113.70 110.08 3k8m s SER 294 Ca 0.35 0.05 0.14 0.00 0.70 0.00 0.00 55.95 57.19 3k8m s SER 294 Cb 0.19 0.30 0.23 0.00 -1.71 0.00 0.00 66.02 65.03 3k8m s SER 294 CO 0.25 -0.31 1.12 -0.46 1.20 0.00 0.00 173.24 175.04 3k8m n ASN 295 N 1.82 2.32 -4.74 5.45 6.94 -1.26 -4.90 115.26 120.89 3k8m n ASN 295 Ca -0.20 -2.81 -0.31 0.00 -0.02 0.00 0.00 54.58 51.24 3k8m n ASN 295 Cb 0.56 -0.33 0.11 0.00 -2.36 0.00 0.00 39.78 37.77 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 -2.39 2.06 0.27 -2.53 0.00 -1.26 -4.92 121.76 112.99 3k8m s ALA 296 Ca 0.24 0.42 -0.04 0.00 0.00 0.00 0.00 51.96 52.58 3k8m s ALA 296 Cb 0.21 -3.34 0.34 0.00 0.00 0.00 0.00 23.12 20.34 3k8m s ALA 296 CO 0.03 -1.99 1.93 1.03 0.00 0.00 0.00 175.76 176.75 3k8m h SER 297 N -1.16 1.04 -3.58 0.00 0.87 -2.06 -3.41 113.55 105.25 3k8m h SER 297 Ca -0.44 -0.05 -0.52 0.00 -1.23 0.00 0.00 61.79 59.56 3k8m h SER 297 Cb 1.25 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 3k8m h SER 297 CO 0.49 0.78 0.04 0.12 -0.53 0.00 0.00 176.83 177.72 3k8m s PHE 298 N -5.92 3.49 -0.46 2.24 5.36 -1.26 -5.06 117.98 116.37 3k8m s PHE 298 Ca -0.12 1.18 -0.09 0.00 -0.96 0.00 0.00 56.93 56.94 3k8m s PHE 298 Cb 0.18 -2.48 0.11 0.00 -0.34 0.00 0.00 43.02 40.48 3k8m s PHE 298 CO 0.81 0.24 0.32 -1.58 -1.46 0.00 0.00 175.22 173.54 3k8m s TRP 299 N -1.76 3.42 0.19 10.12 0.52 -1.26 -4.93 118.94 125.24 3k8m s TRP 299 Ca 0.48 -1.83 -0.30 0.00 0.02 0.00 0.00 56.10 54.46 3k8m s TRP 299 Cb -0.13 -3.37 -0.09 0.00 -1.15 0.00 0.00 33.47 28.73 3k8m s TRP 299 CO 0.19 -0.96 1.38 -2.14 0.02 0.00 0.00 176.95 175.44 3k8m s PRO 300 N 1.36 4.33 0.26 4.98 0.02 -1.26 -4.95 135.00 139.75 3k8m s PRO 300 Ca 0.05 2.15 -0.26 0.00 0.02 0.00 0.00 61.00 62.96 3k8m s PRO 300 Cb -0.25 -3.18 -0.16 0.00 0.02 0.00 0.00 34.50 30.93 3k8m s PRO 300 CO -0.00 -0.36 0.47 -1.13 -0.33 0.00 0.00 177.00 175.65 3k8m n SER 301 N 2.91 -1.37 0.00 2.53 3.41 -1.26 -1.57 113.62 118.28 3k8m n SER 301 Ca 0.08 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 3k8m n SER 301 Cb 0.42 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 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 2.00 0.27 0.36 5.00 0.00 -1.26 -4.84 105.19 106.73 3k8m n GLY 302 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 3k8m n GLY 302 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3k8m n THR 303 N -2.29 0.00 -3.52 2.61 5.66 -0.61 -4.85 114.28 111.29 3k8m n THR 303 Ca 0.00 -0.19 -0.42 0.00 -3.05 0.00 0.00 64.05 60.39 3k8m n THR 303 Cb 0.20 0.92 -0.09 0.00 -1.55 0.00 0.00 70.33 69.81 3k8m n THR 303 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 3k8m s LYS 304 N -2.54 2.80 -0.23 1.09 2.20 -1.26 -1.76 119.74 120.03 3k8m s LYS 304 Ca 0.20 -1.33 -0.12 0.00 -0.36 0.00 0.00 55.97 54.36 3k8m s LYS 304 Cb 0.18 -3.91 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 3k8m s LYS 304 CO 0.58 -0.92 0.24 0.71 -0.36 0.00 0.00 175.35 175.59 3k8m s TYR 305 N 1.54 3.32 0.00 4.03 1.51 0.07 -4.59 117.35 123.23 3k8m s TYR 305 Ca 0.03 0.34 0.00 0.00 -1.01 0.00 0.00 57.07 56.43 3k8m s TYR 305 Cb -0.23 -2.36 0.00 0.00 -0.11 0.00 0.00 41.96 39.26 3k8m s TYR 305 CO 0.05 0.02 0.00 0.41 -1.11 0.00 0.00 175.55 174.92 3k8m n GLY 306 N 4.25 4.93 3.89 0.71 0.00 -0.79 -1.50 105.19 116.67 3k8m n GLY 306 Ca -0.13 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.67 3.80 -0.23 4.61 0.00 0.38 -1.25 121.76 127.40 3k8m s ALA 307 Ca 0.00 -0.53 0.28 0.00 0.00 0.00 0.00 51.96 51.71 3k8m s ALA 307 Cb 0.00 -2.13 1.10 0.00 0.00 0.00 0.00 23.12 22.09 3k8m s ALA 307 CO 0.00 0.64 1.84 0.66 0.00 0.00 0.00 175.76 178.90 3k8m h SER 308 N 3.46 0.00 -4.24 0.00 4.64 -1.87 -0.31 113.55 115.24 3k8m h SER 308 Ca -0.48 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.86 3k8m h SER 308 Cb 1.18 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.05 3k8m h SER 308 CO 0.69 0.00 0.37 -0.55 -0.87 0.00 0.00 176.83 176.47 3k8m s SER 309 N -5.08 -0.52 0.00 4.97 0.15 -1.26 -4.86 113.70 107.09 3k8m s SER 309 Ca 0.04 0.71 0.04 0.00 0.70 0.00 0.00 55.95 57.43 3k8m s SER 309 Cb 0.09 0.61 0.16 0.00 -1.71 0.00 0.00 66.02 65.18 3k8m s SER 309 CO 0.50 -0.39 1.07 -1.54 1.20 0.00 0.00 173.24 174.08 3k8m n SER 310 N 1.26 0.00 0.09 5.45 3.41 -1.26 -1.77 113.62 120.80 3k8m n SER 310 Ca -0.14 0.43 -0.13 0.00 -0.26 0.00 0.00 58.87 58.78 3k8m n SER 310 Cb 0.57 -0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 63.99 3k8m n SER 310 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3k8m h SER 311 N 0.00 0.36 -2.86 4.04 4.64 -1.97 -3.43 113.55 114.33 3k8m h SER 311 Ca 0.00 -0.34 -0.56 0.00 -0.47 0.00 0.00 61.79 60.42 3k8m h SER 311 Cb 0.06 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 3k8m h SER 311 CO 0.00 1.20 1.19 -1.61 -0.87 0.00 0.00 176.83 176.73 3k8m s GLU 312 N -2.95 3.36 0.34 4.77 0.41 -0.73 -5.00 118.70 118.89 3k8m s GLU 312 Ca -0.04 1.07 0.06 0.00 -0.41 0.00 0.00 54.97 55.65 3k8m s GLU 312 Cb 0.09 -4.14 -0.01 0.00 -1.78 0.00 0.00 34.13 28.28 3k8m s GLU 312 CO 0.86 -1.83 0.48 0.15 -0.49 0.00 0.00 175.26 174.43 3k8m s LYS 313 N 5.49 3.16 -0.19 1.61 -0.14 -1.26 -4.91 119.74 123.50 3k8m s LYS 313 Ca 0.69 -0.91 -0.08 0.00 -1.36 0.00 0.00 55.97 54.31 3k8m s LYS 313 Cb -0.17 -2.80 -0.04 0.00 -1.68 0.00 0.00 37.83 33.14 3k8m s LYS 313 CO 0.31 0.07 0.08 -1.17 -0.76 0.00 0.00 175.35 173.89 3k8m s LEU 314 N -4.20 3.93 0.08 3.17 2.96 -1.26 -4.80 118.68 118.56 3k8m s LEU 314 Ca 0.44 0.13 0.10 0.00 -0.22 0.00 0.00 54.13 54.57 3k8m s LEU 314 Cb -0.10 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 3k8m s LEU 314 CO 0.32 0.18 -0.26 0.00 -1.32 0.00 0.00 176.35 175.26 3k8m s ALA 315 N 0.35 2.32 0.27 5.97 0.00 -1.26 -1.42 121.76 127.98 3k8m s ALA 315 Ca 0.05 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 50.36 3k8m s ALA 315 Cb -0.12 -0.46 -0.13 0.00 0.00 0.00 0.00 23.12 22.42 3k8m s ALA 315 CO -0.01 0.54 1.45 1.28 0.00 0.00 0.00 175.76 179.02 3k8m n LEU 316 N 1.45 3.51 -0.40 0.00 4.77 -1.26 -2.25 117.00 122.83 3k8m n LEU 316 Ca -0.17 1.15 -0.05 0.00 -0.03 0.00 0.00 56.01 56.91 3k8m n LEU 316 Cb 0.52 -1.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.11 3k8m n LEU 316 CO 0.23 -0.31 -0.05 0.59 -1.33 0.00 0.00 177.39 176.52 3k8m n ASN 317 N 1.99 -5.78 -4.41 -1.43 3.02 0.64 -4.97 115.26 104.33 3k8m n ASN 317 Ca 0.10 0.13 -0.33 0.00 -0.03 0.00 0.00 54.58 54.45 3k8m n ASN 317 Cb 0.33 -3.73 -0.14 0.00 -0.61 0.00 0.00 39.78 35.63 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 -2.39 3.16 0.51 3.52 2.47 -0.95 -5.01 119.74 121.05 3k8m s LYS 318 Ca 0.00 -0.68 -0.23 0.00 -1.56 0.00 0.00 55.97 53.50 3k8m s LYS 318 Cb 0.00 -2.58 -0.06 0.00 -1.46 0.00 0.00 37.83 33.73 3k8m s LYS 318 CO 0.00 0.33 1.38 -0.51 0.16 0.00 0.00 175.35 176.71 3k8m s ASP 319 N 0.04 5.53 -0.10 1.43 1.01 -1.26 -4.61 116.67 118.72 3k8m s ASP 319 Ca -0.04 2.81 -0.00 0.00 0.71 0.00 0.00 52.55 56.02 3k8m s ASP 319 Cb -0.14 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.17 3k8m s ASP 319 CO 0.04 -1.40 -0.06 0.12 0.21 0.00 0.00 175.17 174.09 3k8m s PHE 320 N -1.27 1.26 -0.36 4.23 5.36 -0.54 -4.96 117.98 121.70 3k8m s PHE 320 Ca 0.67 -0.57 -0.29 0.00 -0.96 0.00 0.00 56.93 55.78 3k8m s PHE 320 Cb -0.41 -1.10 0.01 0.00 -0.34 0.00 0.00 43.02 41.17 3k8m s PHE 320 CO 0.51 -0.45 1.32 0.15 -1.46 0.00 0.00 175.22 175.29 3k8m s LYS 321 N 1.68 3.78 0.48 10.12 3.01 -1.26 -1.42 119.74 136.13 3k8m s LYS 321 Ca 0.03 1.07 -0.15 0.00 -1.01 0.00 0.00 55.97 55.91 3k8m s LYS 321 Cb -0.13 -3.93 -0.07 0.00 -1.01 0.00 0.00 37.83 32.69 3k8m s LYS 321 CO -0.07 -1.30 0.92 -0.51 0.51 0.00 0.00 175.35 174.90 3k8m s LEU 322 N 4.74 3.69 0.00 3.17 1.43 -0.79 -4.68 118.68 126.25 3k8m s LEU 322 Ca 0.57 1.43 0.03 0.00 -1.03 0.00 0.00 54.13 55.13 3k8m s LEU 322 Cb -0.15 -4.35 -0.01 0.00 0.03 0.00 0.00 46.19 41.72 3k8m s LEU 322 CO 0.27 -0.53 -0.08 -0.89 0.23 0.00 0.00 176.35 175.35 3k8m s THR 323 N -2.54 0.65 -0.17 5.49 2.01 -0.38 -4.31 115.64 116.39 3k8m s THR 323 Ca 0.56 -0.44 -0.08 0.00 0.31 0.00 0.00 61.69 62.04 3k8m s THR 323 Cb -0.10 -0.56 -0.22 0.00 0.01 0.00 0.00 72.50 71.63 3k8m s THR 323 CO 0.31 0.12 0.18 -3.20 -0.69 0.00 0.00 174.62 171.34 3k8m n ASN 324 N 2.70 2.04 -4.21 3.53 2.85 -1.26 -1.88 115.26 119.03 3k8m n ASN 324 Ca -0.14 0.19 -0.50 0.00 -0.11 0.00 0.00 54.58 54.02 3k8m n ASN 324 Cb 0.57 -0.80 -0.05 0.00 1.24 0.00 0.00 39.78 40.74 3k8m n ASN 324 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3k8m n ALA 325 N -3.21 -3.09 -0.59 5.20 0.00 -1.26 -4.66 120.51 112.90 3k8m n ALA 325 Ca -0.36 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3k8m n ALA 325 Cb 0.96 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 1.69 3.25 2.82 0.00 0.00 -1.26 -3.59 105.19 108.10 3k8m n GLY 326 Ca 0.18 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 4.14 0.31 1.61 2.47 -1.26 -4.84 114.94 113.37 3k8m s ASN 327 Ca 0.00 -3.39 -0.26 0.00 0.42 0.00 0.00 52.86 49.63 3k8m s ASN 327 Cb 0.00 -1.41 -0.14 0.00 -1.45 0.00 0.00 41.25 38.25 3k8m s ASN 327 CO 0.00 -0.15 0.75 -2.65 -3.72 0.00 0.00 177.10 171.33 3k8m n PRO 328 N 2.56 0.80 -2.06 0.43 -0.02 -1.24 -4.98 135.00 130.50 3k8m n PRO 328 Ca 0.16 0.28 -0.30 0.00 -2.02 0.00 0.00 63.50 61.62 3k8m n PRO 328 Cb 0.36 -1.55 0.01 0.00 -0.02 0.00 0.00 33.50 32.30 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 -1.17 3.16 0.55 3.55 0.00 -0.13 -4.74 121.76 122.99 3k8m s ALA 329 Ca 0.61 -0.21 -0.21 0.00 0.00 0.00 0.00 51.96 52.15 3k8m s ALA 329 Cb -0.72 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 3k8m s ALA 329 CO 0.58 -0.64 1.34 -0.80 0.00 0.00 0.00 175.76 176.25 3k8m s ASN 330 N -4.18 5.26 0.67 0.00 0.01 -1.26 -0.47 114.94 114.96 3k8m s ASN 330 Ca 0.53 2.72 -0.07 0.00 -0.71 0.00 0.00 52.86 55.34 3k8m s ASN 330 Cb -0.11 -2.63 0.04 0.00 0.41 0.00 0.00 41.25 38.96 3k8m s ASN 330 CO 0.52 -1.57 0.98 -0.63 -1.51 0.00 0.00 177.10 174.89 3k8m s ILE 331 N -1.33 2.83 0.13 0.60 -1.09 0.31 -4.53 121.20 118.12 3k8m s ILE 331 Ca 0.72 -0.12 0.11 0.00 -2.23 0.00 0.00 60.65 59.13 3k8m s ILE 331 Cb -0.39 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 3k8m s ILE 331 CO 0.46 -0.21 -0.26 -0.36 -1.23 0.00 0.00 174.94 173.34 3k8m s PHE 333 N -3.17 2.25 -1.94 3.97 0.08 -1.26 -0.24 117.98 117.67 3k8m s PHE 333 Ca 0.58 -0.38 0.12 0.00 0.12 0.00 0.00 56.93 57.36 3k8m s PHE 333 Cb -0.11 -1.22 0.70 0.00 -0.57 0.00 0.00 43.02 41.82 3k8m s PHE 333 CO 0.45 0.32 1.16 -0.40 -0.10 0.00 0.00 175.22 176.66 3k8m n ASP 334 N 0.95 0.00 -0.52 1.36 5.68 -0.51 -0.91 116.55 122.60 3k8m n ASP 334 Ca -0.18 -0.32 0.13 0.00 -0.50 0.00 0.00 54.79 53.91 3k8m n ASP 334 Cb 0.53 -0.03 0.27 0.00 -1.14 0.00 0.00 41.12 40.75 3k8m n ASP 334 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3k8m n SER 335 N -1.03 1.81 -4.31 -1.12 3.41 -1.26 -4.68 113.62 106.45 3k8m n SER 335 Ca 0.09 -1.44 -0.46 0.00 -0.26 0.00 0.00 58.87 56.80 3k8m n SER 335 Cb 0.05 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 3k8m n SER 335 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3k8m s GLN 336 N -2.25 3.38 0.15 4.33 -0.21 -0.09 -4.72 119.66 120.24 3k8m s GLN 336 Ca 0.27 -2.29 0.07 0.00 0.02 0.00 0.00 55.36 53.44 3k8m s GLN 336 Cb 0.20 -4.34 -0.04 0.00 1.00 0.00 0.00 33.01 29.82 3k8m s GLN 336 CO 0.44 -1.29 -0.16 -0.65 -2.12 0.00 0.00 175.29 171.50 3k8m s GLN 337 N 0.49 1.16 0.24 2.91 -1.52 -1.26 -4.87 119.66 116.81 3k8m s GLN 337 Ca 0.14 -1.33 -0.20 0.00 -1.95 0.00 0.00 55.36 52.03 3k8m s GLN 337 Cb -0.15 -1.14 -0.08 0.00 -0.22 0.00 0.00 33.01 31.41 3k8m s GLN 337 CO -0.06 0.23 0.74 0.42 -0.25 0.00 0.00 175.29 176.37 3k8m s ILE 338 N -2.09 4.55 0.01 1.08 1.01 -1.26 -4.48 121.20 120.02 3k8m s ILE 338 Ca 0.13 1.29 -0.19 0.00 0.00 0.00 0.00 60.65 61.87 3k8m s ILE 338 Cb -0.05 -3.84 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 3k8m s ILE 338 CO 0.05 0.15 0.55 -0.89 0.00 0.00 0.00 174.94 174.81 3k8m s THR 339 N -1.59 4.89 0.21 2.92 2.01 -1.26 -4.49 115.64 118.33 3k8m s THR 339 Ca 0.45 1.16 0.11 0.00 0.31 0.00 0.00 61.69 63.72 3k8m s THR 339 Cb -0.16 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 3k8m s THR 339 CO 0.21 0.47 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.11 3k8m s TYR 340 N -0.51 2.40 0.13 4.92 2.02 0.32 -0.14 117.35 126.50 3k8m s TYR 340 Ca 0.29 -0.31 0.07 0.00 -0.37 0.00 0.00 57.07 56.74 3k8m s TYR 340 Cb -0.18 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.19 3k8m s TYR 340 CO 0.17 0.55 -0.15 -0.59 -1.57 0.00 0.00 175.55 173.96 3k8m s PHE 341 N -1.87 1.52 0.17 2.71 -0.12 0.33 -0.48 117.98 120.24 3k8m s PHE 341 Ca 0.24 -0.53 -0.21 0.00 -0.05 0.00 0.00 56.93 56.38 3k8m s PHE 341 Cb -0.07 -0.78 -0.08 0.00 -0.63 0.00 0.00 43.02 41.45 3k8m s PHE 341 CO 0.13 0.20 0.70 -1.58 -0.05 0.00 0.00 175.22 174.61 3k8m s HIS 342 N -2.11 3.75 -0.29 3.49 5.65 -0.68 -2.22 115.29 122.88 3k8m s HIS 342 Ca 0.11 1.42 0.02 0.00 0.25 0.00 0.00 55.06 56.85 3k8m s HIS 342 Cb -0.05 -2.63 0.16 0.00 -1.18 0.00 0.00 32.58 28.88 3k8m s HIS 342 CO 0.04 0.44 0.39 0.45 -0.65 0.00 0.00 174.74 175.41 3k8m s SER 343 N -1.41 0.67 0.34 9.88 0.15 0.07 -1.11 113.70 122.29 3k8m s SER 343 Ca 0.38 -0.49 0.05 0.00 0.70 0.00 0.00 55.95 56.59 3k8m s SER 343 Cb -0.19 0.97 0.68 0.00 -1.71 0.00 0.00 66.02 65.78 3k8m s SER 343 CO 0.22 -0.36 1.93 -0.74 1.20 0.00 0.00 173.24 175.49 3k8m h HIS 344 N 8.16 0.87 0.00 3.44 2.76 -1.93 -1.74 115.15 126.71 3k8m h HIS 344 Ca -0.09 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 3k8m h HIS 344 Cb 1.11 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.79 3k8m h HIS 344 CO 0.27 0.43 0.00 1.19 -1.30 0.00 0.00 177.93 178.53 3k8m n PHE 345 N -4.50 0.00 -3.41 5.26 3.72 -1.26 -4.88 117.46 112.39 3k8m n PHE 345 Ca 0.13 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.34 3k8m n PHE 345 Cb 0.26 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.87 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 -3.30 -0.01 -1.94 0.00 -1.32 -1.26 -5.01 115.64 102.81 3k8m s THR 347 Ca 0.34 0.03 0.02 0.00 -1.21 0.00 0.00 61.69 60.87 3k8m s THR 347 Cb -0.15 -0.30 0.05 0.00 -1.51 0.00 0.00 72.50 70.59 3k8m s THR 347 CO 0.65 0.01 1.01 -0.90 -2.21 0.00 0.00 174.62 173.19 3k8m n ASP 348 N 3.21 0.34 0.16 8.08 5.68 -1.26 -2.83 116.55 129.93 3k8m n ASP 348 Ca -0.15 -2.00 0.08 0.00 -0.50 0.00 0.00 54.79 52.22 3k8m n ASP 348 Cb 0.57 -0.06 0.08 0.00 -1.14 0.00 0.00 41.12 40.57 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 0.31 0.00 -2.75 2.11 4.06 -1.95 -3.42 115.95 114.31 3k8m h TRP 349 Ca 0.00 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.34 3k8m h TRP 349 Cb 0.10 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.13 3k8m h TRP 349 CO 0.04 0.18 -0.71 -0.06 -3.56 0.00 0.00 178.44 174.32 3k8m s PHE 350 N -3.15 2.61 -0.12 0.49 0.08 -1.13 0.26 117.98 117.02 3k8m s PHE 350 Ca 0.04 -0.24 -0.03 0.00 0.12 0.00 0.00 56.93 56.82 3k8m s PHE 350 Cb 0.07 -1.23 0.05 0.00 -0.57 0.00 0.00 43.02 41.33 3k8m s PHE 350 CO 0.72 0.56 0.07 0.00 -0.10 0.00 0.00 175.22 176.47 3k8m s ALA 351 N -1.92 0.42 0.31 5.36 0.00 -0.70 -4.71 121.76 120.51 3k8m s ALA 351 Ca 0.27 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.79 3k8m s ALA 351 Cb -0.08 -0.87 -0.11 0.00 0.00 0.00 0.00 23.12 22.06 3k8m s ALA 351 CO 0.16 -0.87 1.53 -0.51 0.00 0.00 0.00 175.76 176.07 3k8m s ASP 352 N 2.12 6.42 0.32 0.00 1.11 -0.27 -2.47 116.67 123.90 3k8m s ASP 352 Ca 0.03 2.93 -0.25 0.00 0.18 0.00 0.00 52.55 55.44 3k8m s ASP 352 Cb -0.14 -2.64 -0.10 0.00 1.07 0.00 0.00 42.92 41.11 3k8m s ASP 352 CO -0.06 -0.86 0.92 -0.76 1.18 0.00 0.00 175.17 175.59 3k8m s LEU 353 N -0.96 4.31 -0.16 1.23 1.43 -0.13 -4.01 118.68 120.38 3k8m s LEU 353 Ca 0.59 1.78 -0.04 0.00 -1.03 0.00 0.00 54.13 55.44 3k8m s LEU 353 Cb -0.46 -4.02 -0.03 0.00 0.03 0.00 0.00 46.19 41.71 3k8m s LEU 353 CO 0.52 -0.08 -0.03 0.21 0.23 0.00 0.00 176.35 177.20 3k8m s ASN 354 N -1.67 4.89 0.00 2.29 2.47 0.97 -4.90 114.94 118.98 3k8m s ASN 354 Ca 0.51 -0.11 0.07 0.00 0.42 0.00 0.00 52.86 53.74 3k8m s ASN 354 Cb -0.18 -1.80 -0.02 0.00 -1.45 0.00 0.00 41.25 37.80 3k8m s ASN 354 CO 0.23 0.17 0.45 -1.22 -3.72 0.00 0.00 177.10 173.00 3k8m n TYR 355 N 3.54 0.00 -2.24 0.43 4.01 -1.26 -4.56 117.16 117.09 3k8m n TYR 355 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3k8m n TYR 355 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 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 0.86 -2.20 3.66 2.72 0.00 -1.26 -4.06 105.19 104.92 3k8m n GLY 356 Ca 0.02 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.41 1.88 -0.33 1.61 -0.02 -1.26 -4.68 135.00 131.78 3k8m n PRO 357 Ca 0.00 0.66 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 3k8m n PRO 357 Cb 0.00 -2.18 0.34 0.00 -0.02 0.00 0.00 33.50 31.64 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 2.38 0.76 0.00 -1.45 3.04 -1.90 0.91 116.25 120.00 3k8m h VAL 358 Ca -0.44 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 64.99 3k8m h VAL 358 Cb 1.30 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 3k8m h VAL 358 CO 0.62 0.14 0.00 0.47 -1.01 0.00 0.00 177.57 177.79 3k8m n ASP 359 N -4.67 0.00 0.00 3.17 8.00 -1.26 -2.41 116.55 119.37 3k8m n ASP 359 Ca 0.21 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.84 3k8m n ASP 359 Cb 0.53 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.33 0.92 -0.06 -1.24 6.02 0.23 -4.78 117.38 117.14 3k8m n GLN 360 Ca 0.08 -0.95 0.10 0.00 -0.01 0.00 0.00 57.00 56.22 3k8m n GLN 360 Cb 0.16 -0.97 0.49 0.00 1.02 0.00 0.00 30.24 30.93 3k8m n GLN 360 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k8m h ALA 361 N 0.00 1.96 -0.76 -1.58 0.00 -0.96 -1.86 119.26 116.06 3k8m h ALA 361 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.03 3k8m h ALA 361 Cb 0.27 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3k8m h ALA 361 CO 0.00 -0.07 0.50 0.78 0.00 0.00 0.00 179.25 180.46 3k8m h GLY 362 N 0.42 0.81 -2.44 0.00 0.00 -1.86 -1.35 103.07 98.65 3k8m h GLY 362 Ca 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3k8m h GLY 362 CO -0.07 0.09 0.00 1.18 0.00 0.00 0.00 176.54 177.74 3k8m n GLU 363 N -4.49 2.91 -2.96 4.80 -0.58 -0.70 -4.63 120.64 114.99 3k8m n GLU 363 Ca 0.14 -2.25 -0.36 0.00 -0.42 0.00 0.00 57.16 54.28 3k8m n GLU 363 Cb 0.47 -1.66 -0.06 0.00 -0.57 0.00 0.00 31.44 29.61 3k8m n GLU 363 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3k8m s SER 364 N -0.88 7.12 0.36 1.62 1.04 -0.51 -4.96 113.70 117.50 3k8m s SER 364 Ca 0.41 1.58 0.11 0.00 0.48 0.00 0.00 55.95 58.53 3k8m s SER 364 Cb 0.24 -2.48 0.69 0.00 0.10 0.00 0.00 66.02 64.57 3k8m s SER 364 CO 0.22 -0.06 1.82 1.55 0.98 0.00 0.00 173.24 177.75 3k8m h PRO 365 N 3.09 0.06 -0.58 4.02 0.13 -1.90 -1.73 132.00 135.09 3k8m h PRO 365 Ca -0.48 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 3k8m h PRO 365 Cb 1.19 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3k8m h PRO 365 CO 0.65 0.41 0.01 0.00 -0.23 0.00 0.00 178.00 178.83 3k8m h ALA 366 N 1.59 0.78 -0.47 -0.56 0.00 -1.90 -1.50 119.26 117.20 3k8m h ALA 366 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 3k8m h ALA 366 Cb 0.65 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3k8m h ALA 366 CO 0.05 0.61 -0.14 -0.92 0.00 0.00 0.00 179.25 178.84 3k8m h TYR 367 N 0.91 1.05 -0.20 0.00 3.20 -1.76 -1.19 116.97 118.98 3k8m h TYR 367 Ca 0.17 -0.24 -0.07 0.00 3.14 0.00 0.00 58.73 61.73 3k8m h TYR 367 Cb 0.54 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3k8m h TYR 367 CO 0.04 1.02 -0.19 1.96 -1.64 0.00 0.00 178.16 179.35 3k8m h GLN 368 N 0.77 0.34 0.02 1.82 4.20 -1.17 0.93 115.11 122.02 3k8m h GLN 368 Ca 0.11 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3k8m h GLN 368 Cb 0.70 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.45 3k8m h GLN 368 CO 0.05 0.53 -0.01 0.00 -0.67 0.00 0.00 178.83 178.73 3k8m h ALA 369 N 1.49 -0.02 -0.77 3.87 0.00 -1.11 -2.19 119.26 120.52 3k8m h ALA 369 Ca 0.06 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3k8m h ALA 369 Cb 0.52 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3k8m h ALA 369 CO 0.03 -0.20 0.29 0.82 0.00 0.00 0.00 179.25 180.20 3k8m h ILE 370 N -0.65 1.26 -0.03 0.00 1.08 -1.14 -2.02 117.51 116.01 3k8m h ILE 370 Ca -0.00 -0.84 -0.14 0.00 -0.39 0.00 0.00 64.86 63.49 3k8m h ILE 370 Cb 0.62 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.70 3k8m h ILE 370 CO 0.00 0.34 -0.62 0.00 -0.69 0.00 0.00 178.15 177.18 3k8m h ALA 371 N 1.18 0.91 -0.11 1.87 0.00 -0.89 -2.38 119.26 119.83 3k8m h ALA 371 Ca 0.26 -0.56 -0.21 0.00 0.00 0.00 0.00 54.91 54.40 3k8m h ALA 371 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3k8m h ALA 371 CO -0.02 0.76 -0.77 0.22 0.00 0.00 0.00 179.25 179.44 3k8m h ASP 372 N 0.08 0.72 -0.09 0.00 3.58 -1.15 -1.99 116.42 117.58 3k8m h ASP 372 Ca -0.01 -0.48 -0.08 0.00 0.42 0.00 0.00 57.03 56.88 3k8m h ASP 372 Cb 1.11 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.93 3k8m h ASP 372 CO 0.09 1.25 -0.19 0.00 -2.88 0.00 0.00 179.24 177.51 3k8m h ALA 373 N 0.73 1.18 -0.57 -0.78 0.00 -1.33 -1.63 119.26 116.87 3k8m h ALA 373 Ca -0.04 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3k8m h ALA 373 Cb 1.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3k8m h ALA 373 CO 0.15 0.52 -0.02 0.00 0.00 0.00 0.00 179.25 179.90 3k8m h ALA 374 N 1.37 0.77 -0.68 0.00 0.00 -1.29 -2.15 119.26 117.27 3k8m h ALA 374 Ca 0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3k8m h ALA 374 Cb 0.58 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3k8m h ALA 374 CO 0.04 0.61 0.28 0.87 0.00 0.00 0.00 179.25 181.06 3k8m h LYS 375 N 0.90 0.99 -0.74 0.00 1.57 -0.97 -2.13 116.57 116.19 3k8m h LYS 375 Ca 0.16 -0.16 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 3k8m h LYS 375 Cb 0.57 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 3k8m h LYS 375 CO 0.03 0.80 0.49 0.78 -0.57 0.00 0.00 179.45 180.98 3k8m h GLY 376 N 1.05 0.90 1.67 3.86 0.00 -0.65 -0.27 103.07 109.63 3k8m h GLY 376 Ca 0.23 -0.26 -0.22 0.00 0.00 0.00 0.00 47.33 47.08 3k8m h GLY 376 CO -0.02 0.15 -0.99 1.49 0.00 0.00 0.00 176.54 177.17 3k8m h TRP 377 N 0.63 0.44 -0.74 5.60 4.06 -1.09 -3.08 115.95 121.77 3k8m h TRP 377 Ca 0.34 -0.26 -0.03 0.00 2.06 0.00 0.00 58.89 61.00 3k8m h TRP 377 Cb 0.50 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.58 3k8m h TRP 377 CO -0.00 1.11 0.34 0.82 -3.56 0.00 0.00 178.44 177.15 3k8m h ILE 378 N 0.14 1.24 0.00 1.49 2.04 -0.82 0.19 117.51 121.80 3k8m h ILE 378 Ca -0.08 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.09 3k8m h ILE 378 Cb 1.64 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3k8m h ILE 378 CO 0.16 0.29 0.00 0.00 0.00 0.00 0.00 178.15 178.60 3k8m n ALA 379 N -2.39 1.45 0.18 1.87 0.00 -0.22 -1.32 120.51 120.08 3k8m n ALA 379 Ca 0.06 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.73 3k8m n ALA 379 Cb 0.14 -1.35 0.27 0.00 0.00 0.00 0.00 19.45 18.51 3k8m n ALA 379 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k8m n ARG 380 N -2.21 2.43 0.00 0.00 1.74 0.02 -4.94 116.66 113.70 3k8m n ARG 380 Ca 0.01 -2.19 0.00 0.00 -0.77 0.00 0.00 57.85 54.89 3k8m n ARG 380 Cb 0.16 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 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 1.48 0.42 3.76 -0.13 0.00 -0.43 -4.97 105.19 105.32 3k8m n GLY 381 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3k8m n GLY 381 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k8m s VAL 382 N -2.00 2.02 -1.48 1.61 1.01 -0.99 -4.81 120.40 115.76 3k8m s VAL 382 Ca 0.00 0.02 0.23 0.00 0.00 0.00 0.00 61.98 62.23 3k8m s VAL 382 Cb 0.00 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 3k8m s VAL 382 CO 0.00 0.00 1.16 0.47 0.00 0.00 0.00 175.10 176.73 3k8m n ASP 383 N 1.86 1.27 0.00 3.32 8.00 -0.50 -4.63 116.55 125.87 3k8m n ASP 383 Ca 0.07 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.53 3k8m n ASP 383 Cb 0.37 0.56 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 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 1.45 0.11 3.16 0.44 0.00 -1.20 -2.92 105.19 106.23 3k8m n GLY 384 Ca 0.07 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 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 2.29 -0.17 0.99 1.43 -0.67 -1.64 118.68 120.91 3k8m s LEU 385 Ca 0.00 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 3k8m s LEU 385 Cb 0.00 -0.47 -0.00 0.00 0.03 0.00 0.00 46.19 45.75 3k8m s LEU 385 CO 0.00 -0.10 -0.12 -0.60 0.23 0.00 0.00 176.35 175.76 3k8m s ARG 386 N -1.81 3.27 -0.24 1.70 3.00 0.76 -1.46 118.95 124.18 3k8m s ARG 386 Ca -0.02 -0.71 -0.10 0.00 -1.00 0.00 0.00 55.73 53.91 3k8m s ARG 386 Cb -0.09 -2.74 -0.05 0.00 0.00 0.00 0.00 34.95 32.06 3k8m s ARG 386 CO 0.02 -0.04 0.14 -0.51 0.00 0.00 0.00 175.30 174.91 3k8m s LEU 387 N 1.00 4.00 0.23 -0.88 1.43 0.06 -0.22 118.68 124.30 3k8m s LEU 387 Ca -0.01 0.06 -0.19 0.00 -1.03 0.00 0.00 54.13 52.96 3k8m s LEU 387 Cb -0.15 -2.07 -0.08 0.00 0.03 0.00 0.00 46.19 43.92 3k8m s LEU 387 CO -0.02 0.06 0.73 -0.62 0.23 0.00 0.00 176.35 176.73 3k8m s ASP 388 N 1.10 7.04 -1.49 2.29 -1.08 -1.23 -1.62 116.67 121.67 3k8m s ASP 388 Ca 0.07 1.42 -0.01 0.00 -0.52 0.00 0.00 52.55 53.50 3k8m s ASP 388 Cb -0.14 -2.42 0.01 0.00 -1.46 0.00 0.00 42.92 38.91 3k8m s ASP 388 CO 0.05 0.01 0.22 0.00 0.52 0.00 0.00 175.17 175.96 3k8m n ALA 389 N 0.62 -1.98 0.31 3.66 0.00 -1.24 -4.66 120.51 117.22 3k8m n ALA 389 Ca -0.02 -0.34 0.19 0.00 0.00 0.00 0.00 53.44 53.28 3k8m n ALA 389 Cb 0.51 -1.20 0.98 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.79 0.16 -0.12 0.00 -1.51 -1.72 -1.05 116.25 110.23 3k8m h VAL 390 Ca -0.64 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 3k8m h VAL 390 Cb 1.39 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 3k8m h VAL 390 CO 0.68 0.02 0.00 2.29 -1.23 0.00 0.00 177.57 179.33 3k8m n LYS 391 N -3.27 1.40 0.00 5.19 2.85 -1.26 -3.76 118.16 119.31 3k8m n LYS 391 Ca -0.02 -0.61 0.02 0.00 -1.05 0.00 0.00 58.31 56.65 3k8m n LYS 391 Cb 0.15 -1.28 -0.00 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 -0.12 0.00 0.22 5.58 8.25 -0.40 -4.04 115.22 124.71 3k8m n HIS 392 Ca 0.12 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.41 3k8m n HIS 392 Cb 0.19 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.21 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 0.42 0.05 -2.98 1.59 2.04 -1.65 -3.36 117.51 113.62 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 0.13 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.21 3k8m h ILE 393 CO 0.00 0.00 -0.23 -0.31 0.00 0.00 0.00 178.15 177.61 3k8m s TYR 394 N -5.87 3.72 0.25 1.37 1.51 -1.26 -4.99 117.35 112.08 3k8m s TYR 394 Ca -0.17 0.96 -0.04 0.00 -1.01 0.00 0.00 57.07 56.80 3k8m s TYR 394 Cb 0.05 -2.26 0.50 0.00 -0.11 0.00 0.00 41.96 40.14 3k8m s TYR 394 CO 0.61 0.65 1.67 1.25 -1.11 0.00 0.00 175.55 178.63 3k8m h HIS 395 N 4.72 0.24 -3.02 2.71 2.76 -1.88 -3.40 115.15 117.29 3k8m h HIS 395 Ca -0.52 0.05 -0.55 0.00 -2.20 0.00 0.00 60.37 57.14 3k8m h HIS 395 Cb 1.22 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.17 3k8m h HIS 395 CO 0.71 -0.13 0.77 0.45 -1.30 0.00 0.00 177.93 178.43 3k8m s SER 396 N -5.21 6.99 0.00 3.26 0.15 -1.26 -4.87 113.70 112.76 3k8m s SER 396 Ca -0.13 1.84 0.27 0.00 0.70 0.00 0.00 55.95 58.63 3k8m s SER 396 Cb 0.22 -2.55 0.78 0.00 -1.71 0.00 0.00 66.02 62.76 3k8m s SER 396 CO 0.76 -0.65 1.59 -1.84 1.20 0.00 0.00 173.24 174.30 3k8m n GLU 397 N 5.55 0.71 -0.00 5.44 0.28 -1.26 -4.04 120.64 127.33 3k8m n GLU 397 Ca 0.12 -0.40 0.04 0.00 -0.16 0.00 0.00 57.16 56.76 3k8m n GLU 397 Cb 0.45 -1.49 -0.04 0.00 1.43 0.00 0.00 31.44 31.79 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 -0.79 0.00 -1.05 3.84 -2.24 -1.26 -5.01 114.28 107.76 3k8m n THR 398 Ca 0.12 -0.31 -0.18 0.00 -2.27 0.00 0.00 64.05 61.40 3k8m n THR 398 Cb 0.34 1.00 0.14 0.00 -2.10 0.00 0.00 70.33 69.71 3k8m n THR 398 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3k8m n SER 399 N -1.19 -1.13 0.12 3.42 3.41 -1.26 -4.96 113.62 112.03 3k8m n SER 399 Ca 0.01 -1.02 0.03 0.00 -0.26 0.00 0.00 58.87 57.63 3k8m n SER 399 Cb 0.12 -0.61 0.01 0.00 -0.26 0.00 0.00 64.21 63.47 3k8m n SER 399 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3k8m h GLU 400 N 0.00 0.00 -0.90 4.33 4.39 -1.95 -3.41 114.58 117.04 3k8m h GLU 400 Ca -0.25 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.53 3k8m h GLU 400 Cb 0.75 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.29 3k8m h GLU 400 CO 0.17 0.39 -0.53 0.39 -1.16 0.00 0.00 179.01 178.26 3k8m n GLU 401 N -3.10 -0.40 0.06 2.33 1.02 -1.26 -1.58 120.64 117.71 3k8m n GLU 401 Ca -0.01 1.45 -0.12 0.00 -0.02 0.00 0.00 57.16 58.46 3k8m n GLU 401 Cb 0.74 -2.13 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 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 0.00 -0.24 -0.66 1.62 -0.26 -1.84 0.09 115.58 114.30 3k8m h ASN 402 Ca 0.14 0.03 0.05 0.00 -0.56 0.00 0.00 56.30 55.97 3k8m h ASN 402 Cb 0.37 0.10 -0.05 0.00 -1.06 0.00 0.00 38.32 37.67 3k8m h ASN 402 CO -0.85 -0.13 0.37 -0.65 -1.06 0.00 0.00 177.43 175.11 3k8m h PRO 403 N -0.17 0.67 -0.79 0.81 0.11 -1.76 0.14 132.00 131.03 3k8m h PRO 403 Ca 0.02 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 3k8m h PRO 403 Cb 0.19 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.11 3k8m h PRO 403 CO -0.06 0.44 0.41 -0.09 -0.21 0.00 0.00 178.00 178.49 3k8m h ARG 404 N 0.69 1.10 -0.28 1.05 2.43 -1.01 -0.49 114.38 117.87 3k8m h ARG 404 Ca 0.29 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 3k8m h ARG 404 Cb 0.16 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3k8m h ARG 404 CO -0.17 0.82 -0.38 0.35 -1.51 0.00 0.00 179.97 179.09 3k8m h PHE 405 N 1.11 0.77 -0.10 2.20 3.57 -0.05 -3.15 116.94 121.29 3k8m h PHE 405 Ca 0.28 -0.22 -0.21 0.00 3.53 0.00 0.00 57.97 61.35 3k8m h PHE 405 Cb 0.06 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.63 3k8m h PHE 405 CO 0.01 0.93 -0.78 -0.07 -2.23 0.00 0.00 178.31 176.17 3k8m h LEU 406 N 0.54 0.67 -1.15 0.59 3.38 -0.31 -2.45 115.31 116.57 3k8m h LEU 406 Ca 0.05 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3k8m h LEU 406 Cb 0.89 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3k8m h LEU 406 CO 0.08 1.22 0.00 1.17 0.09 0.00 0.00 178.44 181.00 3k8m n LYS 407 N -3.86 0.02 0.00 1.13 4.81 -0.23 -0.60 118.16 119.43 3k8m n LYS 407 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 3k8m n LYS 407 Cb 0.74 -1.09 0.00 0.00 0.02 0.00 0.00 35.03 34.71 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 0.57 0.00 -0.27 5.64 7.35 -0.92 -1.21 117.46 128.61 3k8m n PHE 409 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 3k8m n PHE 409 Cb 0.01 0.00 0.06 0.00 0.35 0.00 0.00 39.48 39.90 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 0.98 0.00 -5.13 5.03 -1.13 -2.42 116.97 114.30 3k8m h TYR 410 Ca 0.00 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 3k8m h TYR 410 Cb 0.00 -0.32 -0.00 0.00 1.55 0.00 0.00 36.73 37.95 3k8m h TYR 410 CO 0.00 0.65 -0.09 0.93 -1.32 0.00 0.00 178.16 178.32 3k8m h GLU 411 N 1.02 0.00 -0.97 1.82 5.08 -1.40 0.16 114.58 120.29 3k8m h GLU 411 Ca 0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 3k8m h GLU 411 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3k8m h GLU 411 CO -0.05 0.09 0.02 -0.25 -1.00 0.00 0.00 179.01 177.82 3k8m n ASP 412 N -3.24 1.97 0.00 1.42 9.92 -0.91 -2.56 116.55 123.15 3k8m n ASP 412 Ca 0.00 -2.12 0.00 0.00 -0.53 0.00 0.00 54.79 52.14 3k8m n ASP 412 Cb 0.35 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 3k8m n ASP 412 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3k8m n ASN 414 N 0.14 0.00 -0.11 -2.24 4.05 0.57 -2.73 115.26 114.94 3k8m n ASN 414 Ca 0.04 0.00 -0.08 0.00 0.45 0.00 0.00 54.58 54.99 3k8m n ASN 414 Cb 0.43 0.00 0.09 0.00 1.23 0.00 0.00 39.78 41.53 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 0.88 -0.10 5.20 0.00 -1.73 -1.00 119.26 122.52 3k8m h ALA 415 Ca 0.00 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 3k8m h ALA 415 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3k8m h ALA 415 CO 0.00 0.63 -0.61 -0.92 0.00 0.00 0.00 179.25 178.35 3k8m h TYR 416 N 0.72 0.45 0.14 0.00 3.20 -1.79 -0.71 116.97 118.99 3k8m h TYR 416 Ca 0.11 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 3k8m h TYR 416 Cb 0.69 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.88 3k8m h TYR 416 CO 0.04 0.87 -0.07 -0.92 -1.64 0.00 0.00 178.16 176.44 3k8m h TYR 417 N 0.26 -0.18 0.00 -3.82 3.20 -1.79 -2.70 116.97 111.94 3k8m h TYR 417 Ca -0.01 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3k8m h TYR 417 Cb 1.14 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.46 3k8m h TYR 417 CO 0.03 0.08 -0.12 0.87 -1.64 0.00 0.00 178.16 177.38 3k8m h LYS 418 N -0.43 0.00 -0.38 1.82 1.57 -1.15 -1.43 116.57 116.56 3k8m h LYS 418 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3k8m h LYS 418 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3k8m h LYS 418 CO 0.03 0.12 0.00 0.94 -0.57 0.00 0.00 179.45 179.97 3k8m n GLN 419 N -3.55 1.42 0.00 3.15 7.27 -0.28 -2.37 117.38 123.03 3k8m n GLN 419 Ca -0.01 -0.49 0.02 0.00 0.07 0.00 0.00 57.00 56.59 3k8m n GLN 419 Cb 0.26 -1.27 -0.01 0.00 2.41 0.00 0.00 30.24 31.62 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 -0.05 3.88 0.00 3.69 4.76 -0.54 -5.01 118.16 124.89 3k8m n LYS 420 Ca 0.04 -0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 3k8m n LYS 420 Cb 0.21 -0.82 0.00 0.00 -1.84 0.00 0.00 35.03 32.57 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 0.88 0.75 3.43 0.72 0.00 -1.00 -5.12 105.19 104.85 3k8m n GLY 421 Ca 0.01 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.65 -0.99 -0.91 1.61 3.76 -1.24 -4.98 115.29 111.89 3k8m s HIS 422 Ca 0.00 1.83 0.24 0.00 -0.15 0.00 0.00 55.06 56.98 3k8m s HIS 422 Cb 0.00 0.50 0.37 0.00 1.11 0.00 0.00 32.58 34.56 3k8m s HIS 422 CO 0.00 -0.54 1.32 0.25 -0.85 0.00 0.00 174.74 174.92 3k8m n THR 423 N 5.24 0.06 -3.09 1.30 -2.24 -1.26 -4.45 114.28 109.84 3k8m n THR 423 Ca -0.12 -0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.27 3k8m n THR 423 Cb 0.50 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.93 3k8m n THR 423 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k8m s ASP 424 N -3.25 6.85 0.46 3.42 2.15 -1.26 -5.07 116.67 119.98 3k8m s ASP 424 Ca 0.09 1.36 -0.17 0.00 0.43 0.00 0.00 52.55 54.27 3k8m s ASP 424 Cb 0.17 -2.40 -0.08 0.00 -0.30 0.00 0.00 42.92 40.30 3k8m s ASP 424 CO 0.73 -0.18 0.92 -1.81 -0.17 0.00 0.00 175.17 174.66 3k8m s ASP 425 N -2.15 6.69 0.34 -0.34 1.01 -1.26 -4.79 116.67 116.18 3k8m s ASP 425 Ca 0.53 1.51 -0.26 0.00 0.71 0.00 0.00 52.55 55.04 3k8m s ASP 425 Cb -0.11 -2.48 -0.09 0.00 1.01 0.00 0.00 42.92 41.25 3k8m s ASP 425 CO 0.18 -0.47 1.00 0.12 0.21 0.00 0.00 175.17 176.20 3k8m s PHE 426 N -2.43 3.54 0.64 4.23 5.36 -1.26 -5.09 117.98 122.96 3k8m s PHE 426 Ca 0.58 1.73 -0.01 0.00 -0.96 0.00 0.00 56.93 58.27 3k8m s PHE 426 Cb -0.10 -3.04 0.07 0.00 -0.34 0.00 0.00 43.02 39.62 3k8m s PHE 426 CO 0.26 -0.16 0.90 -0.47 -1.46 0.00 0.00 175.22 174.28 3k8m s TYR 427 N -1.57 2.39 -0.30 10.12 5.04 -1.15 -4.98 117.35 126.90 3k8m s TYR 427 Ca 0.52 -0.03 -0.16 0.00 -2.44 0.00 0.00 57.07 54.95 3k8m s TYR 427 Cb -0.21 -2.93 0.18 0.00 0.35 0.00 0.00 41.96 39.35 3k8m s TYR 427 CO 0.27 -1.29 1.15 -1.50 -1.34 0.00 0.00 175.55 172.85 3k8m s ILE 429 N -2.99 -0.07 0.18 3.14 2.07 -0.53 -1.66 121.20 121.33 3k8m s ILE 429 Ca 0.61 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.89 3k8m s ILE 429 Cb -0.08 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.47 3k8m s ILE 429 CO 0.42 0.00 0.26 -0.83 -1.91 0.00 0.00 174.94 172.88 3k8m s GLY 430 N 1.48 1.58 -0.33 1.50 0.00 -0.89 -0.76 107.32 109.90 3k8m s GLY 430 Ca -0.06 -1.14 -0.05 0.00 0.00 0.00 0.00 44.72 43.47 3k8m s GLY 430 CO -0.13 -1.15 0.08 1.85 0.00 0.00 0.00 173.10 173.74 3k8m s GLU 431 N -3.42 2.53 -0.47 2.90 2.12 -0.64 -2.82 118.70 118.90 3k8m s GLU 431 Ca 0.34 -1.24 0.01 0.00 0.36 0.00 0.00 54.97 54.43 3k8m s GLU 431 Cb -0.10 -3.38 0.12 0.00 0.26 0.00 0.00 34.13 31.04 3k8m s GLU 431 CO 0.27 -0.67 0.23 0.08 -0.54 0.00 0.00 175.26 174.63 3k8m s VAL 432 N 1.34 2.89 -1.17 3.70 1.01 -1.26 -2.99 120.40 123.91 3k8m s VAL 432 Ca -0.02 -2.71 -0.22 0.00 0.00 0.00 0.00 61.98 59.03 3k8m s VAL 432 Cb -0.20 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3k8m s VAL 432 CO 0.01 -0.74 1.85 -0.22 0.00 0.00 0.00 175.10 176.01 3k8m s LEU 433 N 0.38 3.31 0.00 3.92 2.96 -1.26 -4.81 118.68 123.18 3k8m s LEU 433 Ca 0.13 -1.76 -0.11 0.00 -0.22 0.00 0.00 54.13 52.18 3k8m s LEU 433 Cb -0.22 -2.58 0.05 0.00 0.50 0.00 0.00 46.19 43.93 3k8m s LEU 433 CO -0.04 -2.43 0.69 -1.20 -1.32 0.00 0.00 176.35 172.05 3k8m n SER 434 N 12.37 -2.00 -4.85 3.68 7.64 -1.26 -5.13 113.62 124.08 3k8m n SER 434 Ca 0.45 -2.61 -0.31 0.00 1.01 0.00 0.00 58.87 57.41 3k8m n SER 434 Cb 0.47 3.39 0.04 0.00 -1.01 0.00 0.00 64.21 67.10 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 -2.26 3.08 0.31 1.43 0.41 -1.26 -4.50 118.70 115.92 3k8m s GLU 435 Ca 0.18 0.77 0.07 0.00 -0.41 0.00 0.00 54.97 55.59 3k8m s GLU 435 Cb -0.04 -2.02 0.88 0.00 -1.78 0.00 0.00 34.13 31.17 3k8m s GLU 435 CO 0.14 -0.95 1.64 0.10 -0.49 0.00 0.00 175.26 175.70 3k8m h TYR 436 N -0.60 0.55 0.00 1.61 -0.00 -1.97 -0.66 116.97 115.91 3k8m h TYR 436 Ca -0.44 0.05 0.00 0.00 0.00 0.00 0.00 58.73 58.33 3k8m h TYR 436 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 36.73 37.86 3k8m h TYR 436 CO 0.60 -0.23 0.00 0.38 -0.00 0.00 0.00 178.16 178.91 3k8m h ASP 437 N 0.22 0.00 0.34 0.10 -0.00 -1.97 -0.28 116.42 114.83 3k8m h ASP 437 Ca 0.64 0.00 -0.16 0.00 -0.00 0.00 0.00 57.03 57.51 3k8m h ASP 437 Cb 1.38 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.68 3k8m h ASP 437 CO -0.67 0.00 -1.80 0.29 -0.00 0.00 0.00 179.24 177.06 3k8m n LYS 438 N -3.01 0.65 -0.05 4.15 4.76 -0.29 -4.40 118.16 119.96 3k8m n LYS 438 Ca -0.01 0.03 -0.14 0.00 -2.87 0.00 0.00 58.31 55.32 3k8m n LYS 438 Cb 0.21 -1.65 -0.12 0.00 -1.84 0.00 0.00 35.03 31.62 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 1.71 -0.82 -0.18 2.07 -0.93 -3.39 116.25 114.71 3k8m h VAL 439 Ca -0.20 -2.15 0.10 0.00 0.82 0.00 0.00 66.70 65.27 3k8m h VAL 439 Cb 1.54 3.16 -0.12 0.00 -1.52 0.00 0.00 31.29 34.35 3k8m h VAL 439 CO 0.02 0.56 -0.39 0.00 0.02 0.00 0.00 177.57 177.79 3k8m n ALA 440 N -2.57 -0.29 0.14 1.67 0.00 -0.18 -0.16 120.51 119.12 3k8m n ALA 440 Ca -0.10 0.76 0.07 0.00 0.00 0.00 0.00 53.44 54.17 3k8m n ALA 440 Cb 0.46 -0.25 0.40 0.00 0.00 0.00 0.00 19.45 20.06 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 -5.12 0.10 0.00 0.00 -0.04 -1.26 -0.60 135.00 128.08 3k8m n PRO 441 Ca 0.05 0.57 0.15 0.00 -0.04 0.00 0.00 63.50 64.23 3k8m n PRO 441 Cb 0.27 -1.96 0.76 0.00 -0.04 0.00 0.00 33.50 32.54 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 -2.03 0.00 0.86 0.54 4.02 0.78 -2.93 117.16 118.40 3k8m n TYR 442 Ca -0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.98 3k8m n TYR 442 Cb 0.16 -0.27 0.48 0.00 -0.02 0.00 0.00 39.34 39.70 3k8m n TYR 442 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3k8m n TYR 443 N -1.26 0.00 1.43 -0.72 0.53 0.23 -1.25 117.16 116.13 3k8m n TYR 443 Ca 0.15 0.00 0.15 0.00 -1.02 0.00 0.00 57.90 57.18 3k8m n TYR 443 Cb 0.24 -0.36 0.75 0.00 -1.03 0.00 0.00 39.34 38.94 3k8m n TYR 443 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 3k8m n LYS 444 N -1.36 0.45 0.00 -0.72 5.02 -1.15 -3.99 118.16 116.41 3k8m n LYS 444 Ca 0.08 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3k8m n LYS 444 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 3k8m n LYS 444 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k8m n GLY 445 N 1.28 0.00 3.28 0.72 0.00 -0.38 -4.72 105.19 105.37 3k8m n GLY 445 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.47 2.23 0.46 0.99 1.43 -0.83 -3.24 118.68 115.25 3k8m s LEU 446 Ca 0.00 -0.60 0.25 0.00 -1.03 0.00 0.00 54.13 52.75 3k8m s LEU 446 Cb 0.00 -0.97 0.65 0.00 0.03 0.00 0.00 46.19 45.90 3k8m s LEU 446 CO 0.00 0.12 1.72 1.55 0.23 0.00 0.00 176.35 179.97 3k8m h PRO 447 N 4.49 0.00 -4.56 1.29 0.13 -1.89 -3.40 132.00 128.06 3k8m h PRO 447 Ca -0.45 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.40 3k8m h PRO 447 Cb 1.17 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.08 3k8m h PRO 447 CO 0.42 0.06 -0.74 0.00 -0.23 0.00 0.00 178.00 177.51 3k8m s ALA 448 N -3.35 0.58 -0.16 -0.56 0.00 -1.26 -1.91 121.76 115.09 3k8m s ALA 448 Ca 0.05 -0.70 -0.14 0.00 0.00 0.00 0.00 51.96 51.16 3k8m s ALA 448 Cb 0.07 0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.25 3k8m s ALA 448 CO 0.64 0.01 0.42 -0.51 0.00 0.00 0.00 175.76 176.32 3k8m s LEU 449 N -1.38 0.36 0.44 0.00 1.43 -1.06 -2.09 118.68 116.38 3k8m s LEU 449 Ca -0.08 0.85 -0.25 0.00 -1.03 0.00 0.00 54.13 53.62 3k8m s LEU 449 Cb -0.09 1.44 -0.08 0.00 0.03 0.00 0.00 46.19 47.49 3k8m s LEU 449 CO 0.00 -0.15 1.35 -0.36 0.23 0.00 0.00 176.35 177.42 3k8m s PHE 450 N 0.29 2.63 -0.99 0.29 0.08 -1.13 -2.57 117.98 116.58 3k8m s PHE 450 Ca -0.01 1.35 -0.05 0.00 0.12 0.00 0.00 56.93 58.35 3k8m s PHE 450 Cb -0.03 -3.77 0.25 0.00 -0.57 0.00 0.00 43.02 38.90 3k8m s PHE 450 CO -0.00 -2.47 0.93 0.39 -0.10 0.00 0.00 175.22 173.96 3k8m n GLU 451 N -0.14 3.02 0.09 0.44 -0.58 0.27 -4.81 120.64 118.93 3k8m n GLU 451 Ca 0.05 -4.47 0.02 0.00 -0.42 0.00 0.00 57.16 52.34 3k8m n GLU 451 Cb 0.43 -2.47 0.37 0.00 -0.57 0.00 0.00 31.44 29.21 3k8m n GLU 451 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 3k8m h PHE 452 N 6.23 0.31 0.00 -0.32 -1.00 -1.85 -2.40 116.94 117.91 3k8m h PHE 452 Ca 0.17 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 3k8m h PHE 452 Cb 0.83 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 40.30 3k8m h PHE 452 CO 0.73 0.40 -0.07 0.77 -1.61 0.00 0.00 178.31 178.53 3k8m h SER 453 N 0.28 0.00 0.13 2.17 0.02 -1.90 -1.93 113.55 112.33 3k8m h SER 453 Ca 0.06 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3k8m h SER 453 Cb 0.36 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3k8m h SER 453 CO 0.02 0.07 -0.17 0.15 -1.14 0.00 0.00 176.83 175.76 3k8m h PHE 454 N 0.00 -0.45 -0.11 3.45 3.57 -1.76 -0.91 116.94 120.74 3k8m h PHE 454 Ca -0.00 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 3k8m h PHE 454 Cb 0.18 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3k8m h PHE 454 CO 0.00 -0.26 -0.47 2.35 -2.23 0.00 0.00 178.31 177.70 3k8m h TRP 455 N -0.35 0.33 -0.59 0.41 -0.00 -1.53 -1.04 115.95 113.18 3k8m h TRP 455 Ca 0.02 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.89 58.79 3k8m h TRP 455 Cb 0.35 -0.07 -0.03 0.00 -0.00 0.00 0.00 29.16 29.41 3k8m h TRP 455 CO -0.16 0.70 0.31 1.88 -0.00 0.00 0.00 178.44 181.16 3k8m h TYR 456 N 0.22 0.83 0.04 2.65 0.05 -1.02 -1.40 116.97 118.34 3k8m h TYR 456 Ca 0.01 -0.03 -0.27 0.00 0.05 0.00 0.00 58.73 58.50 3k8m h TYR 456 Cb 0.92 -0.26 0.02 0.00 1.01 0.00 0.00 36.73 38.41 3k8m h TYR 456 CO 0.02 0.62 -1.09 0.00 -1.05 0.00 0.00 178.16 176.66 3k8m h ARG 457 N 0.81 0.61 -0.02 4.88 2.47 -1.05 -3.11 114.38 118.97 3k8m h ARG 457 Ca 0.21 -0.71 -0.00 0.00 -1.26 0.00 0.00 59.98 58.22 3k8m h ARG 457 Cb 0.08 0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 3k8m h ARG 457 CO -0.03 1.30 0.00 1.25 0.56 0.00 0.00 179.97 183.05 3k8m h LEU 458 N 0.32 0.03 -0.10 3.04 5.85 -1.12 -0.35 115.31 122.97 3k8m h LEU 458 Ca -0.14 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.33 3k8m h LEU 458 Cb 1.75 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.73 3k8m h LEU 458 CO 0.21 0.31 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.39 3k8m h GLU 459 N -0.25 -0.18 -0.17 1.25 4.22 -1.38 0.17 114.58 118.23 3k8m h GLU 459 Ca 0.01 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.46 3k8m h GLU 459 Cb 0.29 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3k8m h GLU 459 CO 0.00 -0.12 0.11 2.35 -2.18 0.00 0.00 179.01 179.17 3k8m h TRP 460 N -0.19 0.22 -0.35 0.92 7.01 -1.56 -2.09 115.95 119.91 3k8m h TRP 460 Ca 0.08 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.16 3k8m h TRP 460 Cb 0.31 -0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 27.23 3k8m h TRP 460 CO -0.25 0.17 -0.11 0.78 -2.79 0.00 0.00 178.44 176.24 3k8m h GLY 461 N 0.22 0.22 0.87 2.65 0.00 -0.51 -0.17 103.07 106.35 3k8m h GLY 461 Ca 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 3k8m h GLY 461 CO -0.01 -0.15 0.06 -2.22 0.00 0.00 0.00 176.54 174.22 3k8m h ILE 462 N -0.03 1.17 0.00 2.60 2.04 -0.83 0.85 117.51 123.32 3k8m h ILE 462 Ca 0.17 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3k8m h ILE 462 Cb 0.29 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3k8m h ILE 462 CO -0.37 0.17 -0.03 0.78 0.00 0.00 0.00 178.15 178.69 3k8m h ASN 463 N 0.11 0.00 -0.42 1.72 2.35 -1.00 -2.34 115.58 116.01 3k8m h ASN 463 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3k8m h ASN 463 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3k8m h ASN 463 CO -0.00 0.03 0.00 0.59 -1.65 0.00 0.00 177.43 176.40 3k8m n ASN 464 N -3.19 3.12 -3.85 5.81 4.13 -0.11 -4.99 115.26 116.19 3k8m n ASN 464 Ca -0.01 -1.98 -0.25 0.00 1.68 0.00 0.00 54.58 54.02 3k8m n ASN 464 Cb 0.23 -0.28 0.01 0.00 -1.54 0.00 0.00 39.78 38.20 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 0.78 -1.61 -3.88 6.41 7.64 -0.29 -4.98 113.62 117.69 3k8m n SER 465 Ca 0.14 -0.89 -0.28 0.00 1.01 0.00 0.00 58.87 58.86 3k8m n SER 465 Cb 0.47 -3.62 -0.16 0.00 -1.01 0.00 0.00 64.21 59.89 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 -3.68 1.06 -0.02 0.44 2.01 0.14 -3.47 115.64 112.12 3k8m s THR 466 Ca 0.16 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.55 3k8m s THR 466 Cb -0.08 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 3k8m s THR 466 CO 0.85 0.10 0.03 0.61 -0.69 0.00 0.00 174.62 175.52 3k8m n GLY 467 N 4.89 0.28 0.26 4.40 0.00 0.13 -4.50 105.19 110.65 3k8m n GLY 467 Ca -0.12 -0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.71 0.00 0.23 0.00 4.01 -1.26 -2.77 117.16 114.66 3k8m n TYR 469 Ca -0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.62 3k8m n TYR 469 Cb 0.07 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.05 3k8m n TYR 469 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3k8m h PHE 470 N 0.75 -0.58 -0.76 -0.72 3.57 -1.56 -1.53 116.94 116.12 3k8m h PHE 470 Ca 0.00 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.66 3k8m h PHE 470 Cb 0.48 0.19 -0.13 0.00 2.79 0.00 0.00 35.95 39.28 3k8m h PHE 470 CO 0.00 -0.35 -0.02 0.00 -2.23 0.00 0.00 178.31 175.70 3k8m h ALA 471 N -1.68 0.75 -0.66 2.41 0.00 -1.84 0.64 119.26 118.88 3k8m h ALA 471 Ca -0.06 0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3k8m h ALA 471 Cb 0.47 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 3k8m h ALA 471 CO 0.09 -0.43 0.33 -0.22 0.00 0.00 0.00 179.25 179.02 3k8m h LYS 472 N 0.08 0.57 0.12 0.00 3.64 -1.80 -1.12 116.57 118.06 3k8m h LYS 472 Ca 0.41 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 3k8m h LYS 472 Cb 0.72 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3k8m h LYS 472 CO -0.69 0.37 -0.06 -0.44 -2.27 0.00 0.00 179.45 176.36 3k8m h ASP 473 N 0.58 -0.14 -1.00 4.20 3.32 0.17 -2.31 116.42 121.25 3k8m h ASP 473 Ca 0.32 -0.19 0.04 0.00 0.02 0.00 0.00 57.03 57.22 3k8m h ASP 473 Cb 0.30 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 3k8m h ASP 473 CO -0.24 0.11 0.66 0.40 -1.72 0.00 0.00 179.24 178.45 3k8m h ILE 474 N -0.39 1.17 -0.50 0.35 1.08 -1.15 -1.83 117.51 116.24 3k8m h ILE 474 Ca -0.02 -0.43 -0.09 0.00 -0.39 0.00 0.00 64.86 63.93 3k8m h ILE 474 Cb 0.32 -0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 33.84 3k8m h ILE 474 CO 0.03 0.23 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.60 3k8m h LEU 475 N 1.27 0.85 -1.15 1.44 3.38 -1.17 -1.62 115.31 118.31 3k8m h LEU 475 Ca 0.40 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3k8m h LEU 475 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3k8m h LEU 475 CO -0.13 0.94 -0.34 0.77 0.09 0.00 0.00 178.44 179.77 3k8m h SER 476 N 0.79 0.15 -0.19 -0.43 4.64 -0.78 -1.47 113.55 116.27 3k8m h SER 476 Ca 0.14 -0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 61.20 3k8m h SER 476 Cb 0.54 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3k8m h SER 476 CO 0.03 0.49 -0.68 1.88 -0.87 0.00 0.00 176.83 177.68 3k8m h TYR 477 N 0.13 1.06 -0.87 4.77 0.05 -0.95 -2.55 116.97 118.62 3k8m h TYR 477 Ca 0.02 -0.43 -0.01 0.00 0.05 0.00 0.00 58.73 58.36 3k8m h TYR 477 Cb 0.67 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 38.19 3k8m h TYR 477 CO 0.01 1.26 0.50 1.96 -1.05 0.00 0.00 178.16 180.84 3k8m h GLN 478 N 0.58 1.19 -0.80 4.88 4.20 -1.02 -1.32 115.11 122.83 3k8m h GLN 478 Ca -0.02 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3k8m h GLN 478 Cb 1.30 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 28.80 3k8m h GLN 478 CO 0.14 0.85 0.51 1.96 -0.67 0.00 0.00 178.83 181.62 3k8m h GLN 479 N 1.20 1.06 -0.43 1.46 4.20 -1.15 -1.21 115.11 120.25 3k8m h GLN 479 Ca 0.31 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.88 3k8m h GLN 479 Cb -0.02 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 3k8m h GLN 479 CO -0.05 0.72 0.01 -0.22 -0.67 0.00 0.00 178.83 178.62 3k8m h LYS 480 N 1.09 0.75 -0.64 1.46 3.11 -0.88 -2.77 116.57 118.68 3k8m h LYS 480 Ca 0.29 -0.23 -0.07 0.00 -2.81 0.00 0.00 60.65 57.82 3k8m h LYS 480 Cb -0.10 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.04 3k8m h LYS 480 CO -0.06 0.82 0.11 1.88 -2.81 0.00 0.00 179.45 179.38 3k8m h TYR 481 N 0.59 1.11 0.00 1.91 0.05 -1.05 -2.30 116.97 117.28 3k8m h TYR 481 Ca 0.12 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 3k8m h TYR 481 Cb 0.47 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 3k8m h TYR 481 CO 0.04 0.93 -0.01 0.00 -1.05 0.00 0.00 178.16 178.07 3k8m h ALA 482 N 1.12 1.60 0.00 3.88 0.00 -1.05 -0.30 119.26 124.52 3k8m h ALA 482 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3k8m h ALA 482 Cb 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3k8m h ALA 482 CO 0.01 0.01 0.00 -0.91 0.00 0.00 0.00 179.25 178.36 3k8m h ASN 483 N 0.00 0.00 0.00 0.00 2.35 -1.13 -3.23 115.58 113.57 3k8m h ASN 483 Ca -0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 3k8m h ASN 483 Cb 0.02 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 3k8m h ASN 483 CO 0.00 0.00 -1.98 -1.22 -1.65 0.00 0.00 177.43 172.58 3k8m n TYR 484 N -2.74 0.00 -3.69 1.19 4.01 -0.24 -5.01 117.16 110.67 3k8m n TYR 484 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.65 3k8m n TYR 484 Cb 0.24 -0.67 -0.10 0.00 -0.31 0.00 0.00 39.34 38.50 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 -2.34 0.43 0.16 -0.72 3.52 -0.50 -4.80 118.95 114.69 3k8m s ARG 485 Ca -0.20 0.83 -0.02 0.00 -0.13 0.00 0.00 55.73 56.20 3k8m s ARG 485 Cb 0.06 0.00 0.02 0.00 -1.56 0.00 0.00 34.95 33.47 3k8m s ARG 485 CO 0.43 -0.15 1.40 0.66 -0.81 0.00 0.00 175.30 176.83 3k8m h SER 486 N 7.04 0.50 -1.27 -2.12 4.64 -1.83 -3.29 113.55 117.23 3k8m h SER 486 Ca -0.36 -0.35 -0.68 0.00 -0.47 0.00 0.00 61.79 59.94 3k8m h SER 486 Cb 1.19 -0.15 -0.27 0.00 -0.31 0.00 0.00 62.40 62.86 3k8m h SER 486 CO 0.28 1.10 0.89 -0.90 -0.87 0.00 0.00 176.83 177.33 3k8m n ASP 487 N -3.82 7.55 -4.77 4.97 5.75 -1.26 -4.94 116.55 120.03 3k8m n ASP 487 Ca -0.05 -3.74 -0.36 0.00 -0.01 0.00 0.00 54.79 50.64 3k8m n ASP 487 Cb 0.74 -1.02 0.01 0.00 -1.03 0.00 0.00 41.12 39.81 3k8m n ASP 487 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 3k8m s TYR 488 N -3.71 2.63 -0.34 2.11 -0.85 -1.24 -4.99 117.35 110.96 3k8m s TYR 488 Ca 0.59 1.53 -0.05 0.00 -0.52 0.00 0.00 57.07 58.62 3k8m s TYR 488 Cb 0.47 -3.35 0.05 0.00 0.38 0.00 0.00 41.96 39.51 3k8m s TYR 488 CO -0.14 -1.72 0.10 0.42 -1.52 0.00 0.00 175.55 172.69 3k8m s ILE 489 N -1.70 3.52 -0.57 -3.49 1.01 -0.80 -5.05 121.20 114.12 3k8m s ILE 489 Ca 0.72 -1.33 -0.22 0.00 0.00 0.00 0.00 60.65 59.82 3k8m s ILE 489 Cb -0.26 -3.06 0.06 0.00 0.01 0.00 0.00 42.46 39.20 3k8m s ILE 489 CO 0.29 -0.24 0.84 -0.70 0.00 0.00 0.00 174.94 175.13 3k8m s GLU 490 N 1.33 3.19 -0.60 2.79 2.12 -1.26 -2.56 118.70 123.72 3k8m s GLU 490 Ca -0.01 -0.68 -0.23 0.00 0.36 0.00 0.00 54.97 54.41 3k8m s GLU 490 Cb -0.20 -4.13 0.05 0.00 0.26 0.00 0.00 34.13 30.11 3k8m s GLU 490 CO 0.01 -1.50 0.95 0.00 -0.54 0.00 0.00 175.26 174.18 3k8m s ALA 491 N 3.49 3.14 0.66 6.30 0.00 -1.06 -1.48 121.76 132.80 3k8m s ALA 491 Ca 0.22 -1.49 -0.11 0.00 0.00 0.00 0.00 51.96 50.58 3k8m s ALA 491 Cb -0.17 -3.78 -0.02 0.00 0.00 0.00 0.00 23.12 19.16 3k8m s ALA 491 CO 0.14 -2.54 1.05 0.95 0.00 0.00 0.00 175.76 175.35 3k8m s THR 492 N 3.99 4.30 -0.07 0.00 -4.23 -1.14 -0.57 115.64 117.93 3k8m s THR 492 Ca 0.27 0.75 -0.30 0.00 -1.18 0.00 0.00 61.69 61.22 3k8m s THR 492 Cb -0.14 -3.69 0.11 0.00 1.34 0.00 0.00 72.50 70.12 3k8m s THR 492 CO 0.15 -0.98 0.98 -1.59 -0.54 0.00 0.00 174.62 172.65 3k8m s LYS 493 N -5.19 0.67 0.00 3.99 -2.85 -1.26 -1.30 119.74 113.80 3k8m s LYS 493 Ca 0.56 -0.21 0.00 0.00 -1.00 0.00 0.00 55.97 55.33 3k8m s LYS 493 Cb -0.12 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 3k8m s LYS 493 CO 0.54 -0.28 0.00 1.28 0.10 0.00 0.00 175.35 176.98 3k8m n LEU 494 N -0.10 0.00 -4.82 2.77 4.77 -1.26 -3.74 117.00 114.62 3k8m n LEU 494 Ca -0.07 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.59 3k8m n LEU 494 Cb 0.60 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.69 3k8m n LEU 494 CO 0.11 0.00 0.70 -0.94 -1.33 0.00 0.00 177.39 175.93 3k8m s SER 495 N -0.94 6.15 0.00 -1.43 1.04 -1.26 -4.85 113.70 112.41 3k8m s SER 495 Ca 0.00 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.15 3k8m s SER 495 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 3k8m s SER 495 CO 0.00 -0.91 0.00 -0.46 0.98 0.00 0.00 173.24 172.85 3k8m n ASN 496 N -1.80 1.47 0.00 7.02 0.23 -1.26 -4.61 115.26 116.31 3k8m n ASN 496 Ca 0.08 -0.86 0.03 0.00 -0.53 0.00 0.00 54.58 53.30 3k8m n ASN 496 Cb 0.53 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.41 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 0.00 0.00 -0.08 -2.53 1.44 -1.26 -2.08 115.22 110.71 3k8m n HIS 497 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3k8m n HIS 497 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 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 -0.86 1.97 -4.27 4.39 8.00 -1.26 -4.92 116.55 119.59 3k8m n ASP 498 Ca 0.05 -2.03 -0.15 0.00 0.71 0.00 0.00 54.79 53.37 3k8m n ASP 498 Cb 0.02 -0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 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 -1.07 1.27 0.32 -1.24 2.02 -0.88 -5.06 118.70 114.06 3k8m s GLU 499 Ca 0.02 -1.66 -0.29 0.00 0.02 0.00 0.00 54.97 53.06 3k8m s GLU 499 Cb 0.01 -0.20 -0.10 0.00 0.10 0.00 0.00 34.13 33.94 3k8m s GLU 499 CO 0.00 -0.24 1.38 -0.51 0.02 0.00 0.00 175.26 175.91 3k8m s ASP 500 N -3.24 6.65 0.40 -0.19 1.01 -1.26 -4.68 116.67 115.36 3k8m s ASP 500 Ca 0.32 2.76 -0.24 0.00 0.71 0.00 0.00 52.55 56.10 3k8m s ASP 500 Cb 0.07 -2.65 -0.12 0.00 1.01 0.00 0.00 42.92 41.24 3k8m s ASP 500 CO 0.10 -0.65 0.84 0.54 0.21 0.00 0.00 175.17 176.21 3k8m n ARG 501 N 1.10 1.04 -0.19 8.23 5.12 -0.45 -4.78 116.66 126.73 3k8m n ARG 501 Ca 0.02 0.37 -0.00 0.00 -1.93 0.00 0.00 57.85 56.31 3k8m n ARG 501 Cb 0.41 -1.80 0.08 0.00 -1.16 0.00 0.00 32.46 29.99 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 1.33 0.49 -0.09 0.55 2.02 -1.89 -2.31 112.91 113.00 3k8m h THR 502 Ca -0.42 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 66.75 3k8m h THR 502 Cb 1.36 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3k8m h THR 502 CO 0.56 0.01 -0.02 -1.28 0.37 0.00 0.00 175.52 175.16 3k8m h SER 503 N 0.08 -0.09 -0.66 4.18 0.87 -1.88 -2.38 113.55 113.68 3k8m h SER 503 Ca 0.30 0.03 0.10 0.00 -1.23 0.00 0.00 61.79 60.98 3k8m h SER 503 Cb 0.48 0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.42 3k8m h SER 503 CO -0.53 -0.03 0.28 0.28 -0.53 0.00 0.00 176.83 176.30 3k8m h SER 504 N 0.00 0.32 0.50 6.23 0.02 -1.70 0.21 113.55 119.13 3k8m h SER 504 Ca 0.05 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3k8m h SER 504 Cb 0.07 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3k8m h SER 504 CO -0.10 0.18 0.00 0.29 -1.14 0.00 0.00 176.83 176.07 3k8m n LYS 505 N -4.94 0.17 -0.57 3.45 4.76 -0.91 -2.37 118.16 117.75 3k8m n LYS 505 Ca 0.10 0.49 0.05 0.00 -2.87 0.00 0.00 58.31 56.08 3k8m n LYS 505 Cb 0.28 -1.89 0.25 0.00 -1.84 0.00 0.00 35.03 31.83 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 -2.23 4.15 -0.78 -0.35 4.77 0.17 -4.93 117.00 117.80 3k8m n LEU 506 Ca 0.01 -3.18 -0.10 0.00 -0.03 0.00 0.00 56.01 52.71 3k8m n LEU 506 Cb 0.17 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.64 3k8m n LEU 506 CO 0.16 0.80 -0.10 0.61 -1.33 0.00 0.00 177.39 177.54 3k8m n GLY 507 N -0.60 1.04 2.46 -0.72 0.00 -1.00 -2.85 105.19 103.52 3k8m n GLY 507 Ca 0.26 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 3k8m n GLY 507 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k8m n LYS 508 N -2.65 -1.58 -2.63 1.61 5.02 0.49 -4.93 118.16 113.49 3k8m n LYS 508 Ca -0.10 1.07 -0.43 0.00 -2.02 0.00 0.00 58.31 56.83 3k8m n LYS 508 Cb 0.34 -5.56 -0.02 0.00 -0.02 0.00 0.00 35.03 29.77 3k8m n LYS 508 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3k8m s SER 509 N -2.40 7.05 0.50 4.39 0.15 -1.13 -4.92 113.70 117.34 3k8m s SER 509 Ca 0.00 1.36 0.18 0.00 0.70 0.00 0.00 55.95 58.19 3k8m s SER 509 Cb 0.00 -2.54 1.24 0.00 -1.71 0.00 0.00 66.02 63.01 3k8m s SER 509 CO 0.00 -0.72 2.08 0.00 1.20 0.00 0.00 173.24 175.80 3k8m h ALA 510 N 7.65 1.71 -0.02 5.45 0.00 -1.92 -1.63 119.26 130.51 3k8m h ALA 510 Ca -0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3k8m h ALA 510 Cb 1.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3k8m h ALA 510 CO 0.99 0.13 -0.02 -0.44 0.00 0.00 0.00 179.25 179.90 3k8m h ASP 511 N 0.00 0.05 -0.51 0.00 3.32 -1.97 -2.02 116.42 115.28 3k8m h ASP 511 Ca -0.00 -0.53 -0.00 0.00 0.02 0.00 0.00 57.03 56.51 3k8m h ASP 511 Cb 0.19 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3k8m h ASP 511 CO 0.01 0.57 0.31 0.11 -1.72 0.00 0.00 179.24 178.52 3k8m h LYS 512 N -0.47 0.71 -0.64 3.56 1.57 -1.85 -2.11 116.57 117.34 3k8m h LYS 512 Ca 0.00 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3k8m h LYS 512 Cb 0.56 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 3k8m h LYS 512 CO 0.01 0.50 0.23 0.00 -0.57 0.00 0.00 179.45 179.62 3k8m h LYS 514 N 0.90 0.99 -0.22 0.00 1.57 -0.90 -2.08 116.57 116.84 3k8m h LYS 514 Ca 0.21 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3k8m h LYS 514 Cb 0.24 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3k8m h LYS 514 CO -0.01 0.87 0.14 1.25 -0.57 0.00 0.00 179.45 181.13 3k8m h LEU 515 N 0.92 0.25 -1.24 2.94 5.85 -1.08 0.81 115.31 123.77 3k8m h LEU 515 Ca 0.20 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 3k8m h LEU 515 Cb 0.30 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3k8m h LEU 515 CO -0.01 0.20 0.22 0.00 -0.34 0.00 0.00 178.44 178.52 3k8m h ALA 516 N 1.06 1.40 -0.33 1.25 0.00 -0.93 0.03 119.26 121.74 3k8m h ALA 516 Ca 0.08 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3k8m h ALA 516 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3k8m h ALA 516 CO -0.02 0.46 -0.11 0.00 0.00 0.00 0.00 179.25 179.58 3k8m h ALA 517 N 1.50 0.46 -0.52 0.00 0.00 -0.98 -1.40 119.26 118.32 3k8m h ALA 517 Ca 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3k8m h ALA 517 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3k8m h ALA 517 CO -0.02 0.33 0.29 0.00 0.00 0.00 0.00 179.25 179.85 3k8m h ALA 518 N 0.80 0.67 -0.45 0.00 0.00 -0.18 -1.08 119.26 119.01 3k8m h ALA 518 Ca 0.08 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3k8m h ALA 518 Cb 0.62 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3k8m h ALA 518 CO 0.04 0.18 0.03 0.28 0.00 0.00 0.00 179.25 179.78 3k8m h VAL 519 N 0.69 1.23 -0.38 0.00 2.07 -0.91 -0.53 116.25 118.42 3k8m h VAL 519 Ca 0.18 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 3k8m h VAL 519 Cb 0.04 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3k8m h VAL 519 CO -0.03 0.32 0.07 0.25 0.02 0.00 0.00 177.57 178.20 3k8m h LEU 520 N 0.68 0.59 -0.82 2.57 5.85 -0.69 -2.96 115.31 120.53 3k8m h LEU 520 Ca 0.14 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3k8m h LEU 520 Cb 0.37 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3k8m h LEU 520 CO 0.01 0.69 -0.00 0.18 -0.34 0.00 0.00 178.44 178.98 3k8m n LEU 521 N -4.56 1.27 -0.21 2.25 4.77 -0.46 -3.79 117.00 116.28 3k8m n LEU 521 Ca -0.01 -0.42 0.02 0.00 -0.03 0.00 0.00 56.01 55.57 3k8m n LEU 521 Cb 0.22 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.35 3k8m n LEU 521 CO 0.39 0.21 0.49 0.35 -1.33 0.00 0.00 177.39 177.50 3k8m n THR 522 N -0.01 0.77 -2.99 -5.08 -2.24 -0.23 -4.80 114.28 99.70 3k8m n THR 522 Ca 0.20 -0.89 -0.18 0.00 -2.27 0.00 0.00 64.05 60.91 3k8m n THR 522 Cb 0.32 0.63 0.04 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.85 5.38 0.42 3.42 0.01 -1.12 -5.01 113.70 115.95 3k8m s SER 523 Ca 0.07 -0.58 -0.11 0.00 1.31 0.00 0.00 55.95 56.64 3k8m s SER 523 Cb 0.04 -0.25 -0.07 0.00 0.21 0.00 0.00 66.02 65.95 3k8m s SER 523 CO 0.05 -1.05 0.80 0.00 0.41 0.00 0.00 173.24 173.45 3k8m s ALA 524 N -2.52 3.31 0.00 1.44 0.00 -1.26 -4.98 121.76 117.75 3k8m s ALA 524 Ca 0.58 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.40 3k8m s ALA 524 Cb -0.08 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.28 3k8m s ALA 524 CO 0.36 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.49 3k8m n GLY 525 N -1.33 0.42 3.20 0.00 0.00 -1.26 -4.87 105.19 101.35 3k8m n GLY 525 Ca 0.03 -2.31 -0.41 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.77 3.55 0.42 1.61 0.09 -0.55 -4.86 115.29 114.77 3k8m s HIS 526 Ca 0.00 -2.31 -0.25 0.00 -0.00 0.00 0.00 55.06 52.50 3k8m s HIS 526 Cb 0.00 -3.48 -0.08 0.00 -0.00 0.00 0.00 32.58 29.01 3k8m s HIS 526 CO 0.00 -0.92 1.26 -1.25 -0.00 0.00 0.00 174.74 173.82 3k8m s PRO 527 N 0.23 3.92 -0.05 8.40 0.04 -1.23 -2.88 135.00 143.43 3k8m s PRO 527 Ca 0.16 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.27 3k8m s PRO 527 Cb -0.17 -2.67 -0.03 0.00 0.04 0.00 0.00 34.50 31.67 3k8m s PRO 527 CO -0.05 -0.50 -0.14 0.71 0.04 0.00 0.00 177.00 177.06 3k8m s TYR 528 N -1.33 2.71 -0.14 0.56 1.51 -0.42 -1.11 117.35 119.13 3k8m s TYR 528 Ca 0.58 -0.17 0.01 0.00 -1.01 0.00 0.00 57.07 56.48 3k8m s TYR 528 Cb -0.35 -1.64 -0.00 0.00 -0.11 0.00 0.00 41.96 39.86 3k8m s TYR 528 CO 0.45 0.18 -0.16 0.42 -1.11 0.00 0.00 175.55 175.33 3k8m s ILE 529 N -0.70 2.70 -0.29 2.71 1.01 0.12 -4.43 121.20 122.32 3k8m s ILE 529 Ca 0.11 -0.77 -0.19 0.00 0.00 0.00 0.00 60.65 59.80 3k8m s ILE 529 Cb -0.11 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.22 3k8m s ILE 529 CO 0.01 0.52 0.58 -0.47 0.00 0.00 0.00 174.94 175.58 3k8m s TYR 530 N 0.66 3.23 0.15 3.97 5.04 -1.26 0.30 117.35 129.44 3k8m s TYR 530 Ca -0.08 0.57 -0.24 0.00 -2.44 0.00 0.00 57.07 54.88 3k8m s TYR 530 Cb -0.16 -2.89 -0.14 0.00 0.35 0.00 0.00 41.96 39.12 3k8m s TYR 530 CO 0.02 -0.42 0.47 2.48 -1.34 0.00 0.00 175.55 176.76 3k8m n TYR 531 N 5.76 -0.33 0.00 4.97 0.18 0.27 -1.68 117.16 126.32 3k8m n TYR 531 Ca -0.02 0.81 0.00 0.00 1.88 0.00 0.00 57.90 60.57 3k8m n TYR 531 Cb 0.49 -1.63 0.00 0.00 -0.38 0.00 0.00 39.34 37.82 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 1.62 3.26 0.26 -7.48 0.00 -1.26 -4.85 105.19 96.73 3k8m n GLY 532 Ca 0.15 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.33 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 2.03 0.00 0.00 1.61 4.11 -1.66 -1.59 114.58 119.08 3k8m h GLU 533 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 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 0.00 -0.39 0.93 0.07 0.00 0.00 179.01 179.62 3k8m h GLU 534 N 0.00 0.00 0.01 1.06 3.07 -1.89 -3.08 114.58 113.75 3k8m h GLU 534 Ca 0.00 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.56 3k8m h GLU 534 Cb 0.58 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.44 3k8m h GLU 534 CO 0.00 0.39 -1.80 1.28 -1.40 0.00 0.00 179.01 177.49 3k8m n LEU 535 N -3.61 0.93 0.00 1.33 4.77 -1.00 -1.66 117.00 117.75 3k8m n LEU 535 Ca -0.01 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 3k8m n LEU 535 Cb 0.50 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3k8m n LEU 535 CO 0.37 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3k8m n GLY 536 N 1.61 1.81 3.66 -0.72 0.00 -0.68 -4.73 105.19 106.13 3k8m n GLY 536 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 4.56 -4.20 0.99 4.77 -0.70 -4.83 117.00 117.59 3k8m n LEU 537 Ca 0.00 0.76 -0.12 0.00 -0.03 0.00 0.00 56.01 56.62 3k8m n LEU 537 Cb 0.00 -1.46 -0.10 0.00 -2.33 0.00 0.00 43.42 39.53 3k8m n LEU 537 CO 0.00 -1.60 -0.28 -0.72 -1.33 0.00 0.00 177.39 173.47 3k8m s TYR 538 N -1.59 1.09 0.00 -1.77 -0.85 -1.26 -4.21 117.35 108.77 3k8m s TYR 538 Ca 0.78 -1.24 0.00 0.00 -0.52 0.00 0.00 57.07 56.09 3k8m s TYR 538 Cb -0.38 -0.59 0.00 0.00 0.38 0.00 0.00 41.96 41.37 3k8m s TYR 538 CO 0.45 -0.48 0.00 0.41 -1.52 0.00 0.00 175.55 174.41 3k8m n GLY 539 N -0.22 3.84 3.45 5.49 0.00 -1.26 -4.84 105.19 111.65 3k8m n GLY 539 Ca -0.03 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 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 2.15 0.13 2.61 -4.23 -1.26 -1.34 115.64 111.70 3k8m s THR 540 Ca 0.00 -2.29 0.24 0.00 -1.18 0.00 0.00 61.69 58.47 3k8m s THR 540 Cb 0.00 -2.32 0.24 0.00 1.34 0.00 0.00 72.50 71.76 3k8m s THR 540 CO 0.00 -0.40 1.83 0.11 -0.54 0.00 0.00 174.62 175.62 3k8m h LYS 541 N 2.30 0.00 0.00 3.99 1.57 -1.87 -3.40 116.57 119.15 3k8m h LYS 541 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3k8m h LYS 541 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3k8m h LYS 541 CO 0.63 0.22 0.00 -0.25 -0.57 0.00 0.00 179.45 179.48 3k8m n ASP 542 N -3.38 0.00 -1.76 0.86 8.00 -1.26 0.13 116.55 119.14 3k8m n ASP 542 Ca 0.00 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.58 3k8m n ASP 542 Cb 0.43 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.91 3k8m n ASP 542 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k8m n ASN 543 N -1.67 5.34 0.00 -2.24 5.03 -1.26 -4.99 115.26 115.46 3k8m n ASN 543 Ca 0.00 -2.75 0.00 0.00 0.87 0.00 0.00 54.58 52.70 3k8m n ASN 543 Cb 0.00 -0.64 0.00 0.00 -1.02 0.00 0.00 39.78 38.12 3k8m n ASN 543 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k8m n GLY 544 N 0.80 4.47 0.28 7.41 0.00 0.12 -4.97 105.19 113.29 3k8m n GLY 544 Ca 0.27 -0.79 0.16 0.00 0.00 0.00 0.00 46.02 45.66 3k8m n GLY 544 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k8m h ASP 545 N 0.00 0.00 -0.35 1.61 5.19 -1.89 -2.84 116.42 118.13 3k8m h ASP 545 Ca 0.00 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.51 3k8m h ASP 545 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 3k8m h ASP 545 CO 0.00 0.06 0.25 -0.33 -3.12 0.00 0.00 179.24 176.10 3k8m h GLU 546 N 0.00 0.01 0.00 3.56 3.07 -1.92 -1.79 114.58 117.51 3k8m h GLU 546 Ca -0.00 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3k8m h GLU 546 Cb 0.42 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3k8m h GLU 546 CO 0.01 0.01 -0.10 1.88 -1.40 0.00 0.00 179.01 179.40 3k8m h TYR 547 N 0.01 0.00 -0.73 4.33 0.05 -1.70 0.10 116.97 119.04 3k8m h TYR 547 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.95 3k8m h TYR 547 Cb 0.65 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.39 3k8m h TYR 547 CO -0.00 0.10 0.00 1.33 -1.05 0.00 0.00 178.16 178.54 3k8m n VAL 548 N -3.67 1.05 -2.18 -2.88 0.24 -0.68 -3.99 118.33 106.22 3k8m n VAL 548 Ca -0.02 -1.01 -0.02 0.00 -2.04 0.00 0.00 64.34 61.25 3k8m n VAL 548 Cb 0.22 0.48 0.09 0.00 -1.47 0.00 0.00 33.84 33.15 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 1.61 1.59 -0.98 7.34 1.74 0.31 -4.82 116.66 123.45 3k8m n ARG 549 Ca 0.24 -3.16 -0.31 0.00 -0.77 0.00 0.00 57.85 53.86 3k8m n ARG 549 Cb 0.64 -1.30 0.13 0.00 -1.02 0.00 0.00 32.46 30.91 3k8m n ARG 549 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3k8m s SER 550 N -3.07 3.71 0.00 0.55 1.04 -0.91 -4.87 113.70 110.15 3k8m s SER 550 Ca 0.38 2.00 0.00 0.00 0.48 0.00 0.00 55.95 58.80 3k8m s SER 550 Cb 0.37 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.96 3k8m s SER 550 CO -0.07 -2.57 0.00 -2.65 0.98 0.00 0.00 173.24 168.93 3k8m n PRO 551 N -3.88 0.00 -3.37 4.02 -0.02 -1.26 -4.95 135.00 125.55 3k8m n PRO 551 Ca 0.10 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.41 3k8m n PRO 551 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.93 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 -0.05 -0.03 2.45 1.43 -1.26 -4.98 118.68 116.24 3k8m s LEU 553 Ca 0.00 -1.53 -0.21 0.00 -1.03 0.00 0.00 54.13 51.37 3k8m s LEU 553 Cb 0.00 0.54 -0.30 0.00 0.03 0.00 0.00 46.19 46.46 3k8m s LEU 553 CO 0.00 -0.27 0.96 -0.50 0.23 0.00 0.00 176.35 176.77 3k8m h TRP 554 N 7.16 0.61 0.00 0.29 4.06 -1.94 -1.31 115.95 124.81 3k8m h TRP 554 Ca 0.03 -0.41 0.00 0.00 2.06 0.00 0.00 58.89 60.57 3k8m h TRP 554 Cb 1.06 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.18 3k8m h TRP 554 CO 0.32 1.30 0.00 0.41 -3.56 0.00 0.00 178.44 176.91 3k8m n GLY 555 N 1.52 2.58 0.00 1.49 0.00 -1.26 -2.67 105.19 106.86 3k8m n GLY 555 Ca -0.13 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 0.27 0.00 0.20 1.61 5.68 -1.26 -5.01 116.55 118.04 3k8m n ASP 556 Ca 0.00 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.37 3k8m n ASP 556 Cb 0.00 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.29 3k8m n ASP 556 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3k8m h SER 557 N 0.00 0.00 0.57 -1.12 0.02 -1.96 -3.32 113.55 107.74 3k8m h SER 557 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3k8m h SER 557 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3k8m h SER 557 CO 0.00 0.29 0.00 1.88 -1.14 0.00 0.00 176.83 177.86 3k8m h TYR 558 N 0.00 0.00 -2.77 3.45 -1.99 -1.96 -3.45 116.97 110.25 3k8m h TYR 558 Ca -0.00 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.16 3k8m h TYR 558 Cb 0.95 0.00 0.08 0.00 2.00 0.00 0.00 36.73 39.76 3k8m h TYR 558 CO 0.00 0.00 0.73 2.41 -0.00 0.00 0.00 178.16 181.30 3k8m n THR 559 N -2.37 0.78 -2.60 -2.88 -1.04 -1.25 0.63 114.28 105.55 3k8m n THR 559 Ca 0.01 -0.19 -0.22 0.00 -2.04 0.00 0.00 64.05 61.60 3k8m n THR 559 Cb 0.19 -1.64 0.06 0.00 -1.82 0.00 0.00 70.33 67.13 3k8m n THR 559 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3k8m s THR 560 N 0.16 2.45 -0.44 12.58 -4.23 -1.26 -4.69 115.64 120.20 3k8m s THR 560 Ca 0.69 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 60.63 3k8m s THR 560 Cb -0.61 -2.82 0.29 0.00 1.34 0.00 0.00 72.50 70.70 3k8m s THR 560 CO 0.47 0.00 1.09 -3.20 -0.54 0.00 0.00 174.62 172.43 3k8m n ASN 561 N -2.54 -2.32 0.03 3.99 4.05 0.86 -4.79 115.26 114.54 3k8m n ASN 561 Ca 0.11 -3.21 0.13 0.00 0.45 0.00 0.00 54.58 52.05 3k8m n ASN 561 Cb 0.60 1.72 0.37 0.00 1.23 0.00 0.00 39.78 43.69 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 0.90 0.31 -4.01 1.20 0.18 -1.17 -4.71 117.16 109.86 3k8m n TYR 562 Ca 0.05 0.09 -0.08 0.00 1.88 0.00 0.00 57.90 59.84 3k8m n TYR 562 Cb 0.68 -0.55 -0.10 0.00 -0.38 0.00 0.00 39.34 38.99 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 -3.06 0.17 -0.52 -3.48 -1.32 -1.26 -5.01 115.64 101.15 3k8m s THR 563 Ca 0.11 -1.40 0.24 0.00 -1.21 0.00 0.00 61.69 59.43 3k8m s THR 563 Cb 0.16 -1.07 0.14 0.00 -1.51 0.00 0.00 72.50 70.21 3k8m s THR 563 CO 0.64 -0.77 1.40 0.44 -2.21 0.00 0.00 174.62 174.12 3k8m h ASP 564 N 3.59 0.00 -1.25 8.08 3.32 -2.03 -3.40 116.42 124.73 3k8m h ASP 564 Ca -0.33 -0.08 -0.70 0.00 0.02 0.00 0.00 57.03 55.94 3k8m h ASP 564 Cb 1.17 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.61 3k8m h ASP 564 CO 0.56 0.04 1.95 -0.54 -1.72 0.00 0.00 179.24 179.53 3k8m s LYS 565 N -3.21 4.02 0.03 3.56 1.02 -1.26 -4.91 119.74 118.99 3k8m s LYS 565 Ca 0.06 -2.17 0.05 0.00 0.02 0.00 0.00 55.97 53.92 3k8m s LYS 565 Cb 0.11 -5.40 -0.02 0.00 -0.52 0.00 0.00 37.83 32.00 3k8m s LYS 565 CO 0.70 -2.11 -0.13 0.99 -0.92 0.00 0.00 175.35 173.88 3k8m s THR 566 N 3.45 1.05 -0.54 2.17 2.01 -1.26 -4.35 115.64 118.18 3k8m s THR 566 Ca 0.51 -0.92 -0.18 0.00 0.31 0.00 0.00 61.69 61.40 3k8m s THR 566 Cb 0.02 -0.95 0.08 0.00 0.01 0.00 0.00 72.50 71.66 3k8m s THR 566 CO 0.06 0.03 0.61 -0.62 -0.69 0.00 0.00 174.62 174.01 3k8m s ASP 567 N -1.01 6.20 0.60 3.53 -1.08 -1.26 -4.94 116.67 118.71 3k8m s ASP 567 Ca 0.02 -1.23 0.30 0.00 -0.52 0.00 0.00 52.55 51.11 3k8m s ASP 567 Cb -0.07 -2.27 1.62 0.00 -1.46 0.00 0.00 42.92 40.74 3k8m s ASP 567 CO 0.01 -0.94 2.01 0.00 0.52 0.00 0.00 175.17 176.77 3k8m h ALA 568 N 9.03 1.82 0.00 3.66 0.00 -1.98 -1.66 119.26 130.12 3k8m h ALA 568 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3k8m h ALA 568 Cb 1.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3k8m h ALA 568 CO 1.01 -0.43 0.00 1.79 0.00 0.00 0.00 179.25 181.62 3k8m h THR 569 N 0.00 0.00 0.29 0.00 1.35 -2.00 -3.32 112.91 109.24 3k8m h THR 569 Ca 0.11 -0.35 -0.01 0.00 -0.55 0.00 0.00 66.41 65.61 3k8m h THR 569 Cb 0.73 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3k8m h THR 569 CO -0.00 0.00 -0.14 0.58 -0.25 0.00 0.00 175.52 175.71 3k8m h VAL 570 N 0.00 0.74 0.00 6.82 2.07 -1.69 -2.37 116.25 121.82 3k8m h VAL 570 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3k8m h VAL 570 Cb 0.50 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3k8m h VAL 570 CO 0.00 0.06 0.00 0.77 0.02 0.00 0.00 177.57 178.42 3k8m h SER 571 N -0.53 0.00 1.67 0.57 4.64 -1.78 -0.24 113.55 117.87 3k8m h SER 571 Ca -0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 3k8m h SER 571 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3k8m h SER 571 CO 0.07 0.00 -0.33 0.11 -0.87 0.00 0.00 176.83 175.80 3k8m h LYS 572 N 0.00 0.00 0.00 4.77 1.57 -1.60 -3.38 116.57 117.93 3k8m h LYS 572 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3k8m h LYS 572 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3k8m h LYS 572 CO 0.00 0.04 -1.32 0.09 -0.57 0.00 0.00 179.45 177.69 3k8m n ASN 573 N -2.99 3.68 -4.67 0.86 4.13 -0.87 -4.99 115.26 110.41 3k8m n ASN 573 Ca 0.02 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.91 3k8m n ASN 573 Cb 0.56 0.95 -0.08 0.00 -1.54 0.00 0.00 39.78 39.66 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 -2.27 5.23 0.28 2.41 1.01 -0.15 -5.04 120.40 121.86 3k8m s VAL 574 Ca -0.02 0.60 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 3k8m s VAL 574 Cb 0.03 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.63 3k8m s VAL 574 CO 0.23 0.27 1.20 -0.54 0.00 0.00 0.00 175.10 176.26 3k8m s LYS 575 N 1.29 4.50 1.15 2.72 -0.14 -1.26 -4.77 119.74 123.22 3k8m s LYS 575 Ca 0.17 1.98 -0.13 0.00 -1.36 0.00 0.00 55.97 56.63 3k8m s LYS 575 Cb -0.15 -3.16 0.28 0.00 -1.68 0.00 0.00 37.83 33.12 3k8m s LYS 575 CO 0.07 -0.01 1.04 -0.08 -0.76 0.00 0.00 175.35 175.61 3k8m s THR 576 N -0.87 2.01 0.22 2.17 -1.32 -1.26 -4.67 115.64 111.92 3k8m s THR 576 Ca 0.48 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.89 3k8m s THR 576 Cb -0.35 -2.13 0.15 0.00 -1.51 0.00 0.00 72.50 68.66 3k8m s THR 576 CO 0.44 -0.01 1.77 0.58 -2.21 0.00 0.00 174.62 175.19 3k8m h VAL 577 N -2.55 1.26 -0.48 5.08 2.07 -1.18 0.18 116.25 120.63 3k8m h VAL 577 Ca -0.61 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.05 3k8m h VAL 577 Cb 1.34 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3k8m h VAL 577 CO 0.52 0.35 0.31 0.00 0.02 0.00 0.00 177.57 178.76 3k8m h ALA 578 N 1.16 0.61 -0.19 1.67 0.00 -1.79 0.40 119.26 121.13 3k8m h ALA 578 Ca 0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3k8m h ALA 578 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3k8m h ALA 578 CO -0.01 0.08 0.03 -0.44 0.00 0.00 0.00 179.25 178.90 3k8m h ASP 579 N 0.65 0.30 0.74 0.00 3.32 -1.79 -3.16 116.42 116.48 3k8m h ASP 579 Ca 0.18 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 3k8m h ASP 579 Cb -0.05 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3k8m h ASP 579 CO -0.04 0.48 -0.19 1.56 -1.72 0.00 0.00 179.24 179.34 3k8m h GLN 580 N 0.10 0.00 0.00 3.56 4.20 -0.69 -2.10 115.11 120.17 3k8m h GLN 580 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3k8m h GLN 580 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3k8m h GLN 580 CO 0.00 0.19 0.00 1.04 -0.67 0.00 0.00 178.83 179.39 3k8m n GLN 581 N -3.45 0.20 -0.09 1.46 6.02 0.11 -3.21 117.38 118.41 3k8m n GLN 581 Ca -0.01 0.35 -0.11 0.00 -0.01 0.00 0.00 57.00 57.22 3k8m n GLN 581 Cb 0.36 -1.82 -0.15 0.00 1.02 0.00 0.00 30.24 29.65 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 -1.75 1.47 -2.69 -1.58 0.00 -0.83 -4.90 120.51 110.22 3k8m n ALA 582 Ca 0.03 -1.19 -0.42 0.00 0.00 0.00 0.00 53.44 51.86 3k8m n ALA 582 Cb 0.28 -0.29 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 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 -5.77 7.24 0.28 0.00 2.15 -0.96 -4.94 116.67 114.68 3k8m s ASP 583 Ca -0.13 1.51 0.02 0.00 0.43 0.00 0.00 52.55 54.38 3k8m s ASP 583 Cb 0.07 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.57 3k8m s ASP 583 CO 0.80 -0.38 1.75 0.74 -0.17 0.00 0.00 175.17 177.91 3k8m h THR 584 N 5.02 1.25 -0.33 1.71 2.02 -1.90 -2.93 112.91 117.74 3k8m h THR 584 Ca -0.34 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 65.71 3k8m h THR 584 Cb 1.17 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 3k8m h THR 584 CO 0.82 0.37 0.00 1.41 0.37 0.00 0.00 175.52 178.49 3k8m n HIS 585 N -4.17 0.44 -2.12 3.16 8.25 -1.26 -4.79 115.22 114.73 3k8m n HIS 585 Ca 0.00 -0.22 -0.35 0.00 -0.26 0.00 0.00 57.72 56.89 3k8m n HIS 585 Cb 0.36 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.05 5.44 0.26 0.41 1.04 -1.11 -4.92 113.70 113.77 3k8m s SER 586 Ca 0.24 2.27 -0.05 0.00 0.48 0.00 0.00 55.95 58.90 3k8m s SER 586 Cb 0.13 -2.59 0.30 0.00 0.10 0.00 0.00 66.02 63.96 3k8m s SER 586 CO 0.17 -1.41 1.86 0.25 0.98 0.00 0.00 173.24 175.08 3k8m h LEU 587 N 1.00 1.00 0.15 2.42 5.85 -1.89 -2.62 115.31 121.22 3k8m h LEU 587 Ca -0.50 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.13 3k8m h LEU 587 Cb 1.28 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 3k8m h LEU 587 CO 0.56 0.84 -0.35 0.25 -0.34 0.00 0.00 178.44 179.40 3k8m h LEU 588 N 1.11 -1.01 -1.62 2.25 5.85 -1.63 -1.58 115.31 118.68 3k8m h LEU 588 Ca 0.27 0.11 0.13 0.00 0.84 0.00 0.00 57.88 59.24 3k8m h LEU 588 Cb 0.09 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 3k8m h LEU 588 CO -0.04 -0.44 0.47 0.78 -0.34 0.00 0.00 178.44 178.87 3k8m h ASN 589 N -0.60 0.36 -0.56 1.25 -0.26 -1.72 0.58 115.58 114.62 3k8m h ASN 589 Ca 0.02 0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.73 3k8m h ASN 589 Cb 0.62 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.79 3k8m h ASN 589 CO -0.19 0.20 0.17 -0.29 -1.06 0.00 0.00 177.43 176.26 3k8m h ILE 590 N 0.39 1.23 -0.41 2.81 6.09 -0.95 0.26 117.51 126.93 3k8m h ILE 590 Ca 0.33 -0.82 -0.07 0.00 -1.37 0.00 0.00 64.86 62.93 3k8m h ILE 590 Cb 0.77 0.59 -0.01 0.00 0.47 0.00 0.00 36.82 38.63 3k8m h ILE 590 CO -0.10 0.31 0.00 1.88 -3.07 0.00 0.00 178.15 177.18 3k8m h TYR 591 N 0.89 0.79 -0.67 2.19 -1.99 0.77 -0.25 116.97 118.71 3k8m h TYR 591 Ca 0.20 -0.14 0.06 0.00 2.00 0.00 0.00 58.73 60.85 3k8m h TYR 591 Cb 0.28 -0.21 -0.05 0.00 2.00 0.00 0.00 36.73 38.75 3k8m h TYR 591 CO 0.02 0.80 0.38 0.74 -0.00 0.00 0.00 178.16 180.09 3k8m h PHE 592 N 0.56 0.69 -0.25 4.88 0.04 -0.56 -1.08 116.94 121.22 3k8m h PHE 592 Ca 0.12 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 3k8m h PHE 592 Cb 0.48 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 3k8m h PHE 592 CO 0.04 0.34 0.09 1.03 -0.60 0.00 0.00 178.31 179.21 3k8m h SER 593 N 0.70 0.35 -0.49 2.17 0.87 -0.62 -1.83 113.55 114.70 3k8m h SER 593 Ca 0.30 -0.18 -0.13 0.00 -1.23 0.00 0.00 61.79 60.54 3k8m h SER 593 Cb 0.17 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 3k8m h SER 593 CO -0.17 0.44 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.28 3k8m h LEU 594 N 0.25 1.04 -0.07 2.23 3.38 -0.76 -2.00 115.31 119.37 3k8m h LEU 594 Ca 0.08 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3k8m h LEU 594 Cb 0.20 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3k8m h LEU 594 CO -0.01 1.20 0.00 0.71 0.09 0.00 0.00 178.44 180.44 3k8m h THR 595 N 0.87 1.24 -0.27 0.22 1.35 -1.20 -0.64 112.91 114.48 3k8m h THR 595 Ca 0.11 -0.75 0.07 0.00 -0.55 0.00 0.00 66.41 65.29 3k8m h THR 595 Cb 0.80 1.60 -0.07 0.00 -1.73 0.00 0.00 68.15 68.74 3k8m h THR 595 CO 0.07 0.21 -0.24 -0.09 -0.25 0.00 0.00 175.52 175.22 3k8m h ARG 596 N -0.15 -0.22 -0.70 4.72 2.43 -1.32 0.19 114.38 119.33 3k8m h ARG 596 Ca 0.02 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.31 3k8m h ARG 596 Cb 0.32 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.85 3k8m h ARG 596 CO 0.00 -0.15 0.33 1.25 -1.51 0.00 0.00 179.97 179.89 3k8m h LEU 597 N -0.23 0.40 -1.21 3.80 5.85 -1.20 -0.97 115.31 121.75 3k8m h LEU 597 Ca 0.15 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 3k8m h LEU 597 Cb 0.46 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3k8m h LEU 597 CO -0.41 0.22 -0.35 -0.09 -0.34 0.00 0.00 178.44 177.48 3k8m h ARG 598 N 0.55 0.08 0.00 1.25 2.43 0.28 -2.34 114.38 116.64 3k8m h ARG 598 Ca 0.35 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 3k8m h ARG 598 Cb 0.41 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3k8m h ARG 598 CO -0.29 0.43 0.00 -0.91 -1.51 0.00 0.00 179.97 177.68 3k8m h ASN 599 N 0.08 0.00 0.00 -3.80 -0.26 0.31 -3.19 115.58 108.71 3k8m h ASN 599 Ca 0.01 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.45 3k8m h ASN 599 Cb 0.65 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.86 3k8m h ASN 599 CO 0.05 0.00 -2.21 0.35 -1.06 0.00 0.00 177.43 174.56 3k8m n THR 600 N -2.35 1.10 -3.64 2.81 -2.24 -0.81 -3.30 114.28 105.85 3k8m n THR 600 Ca 0.05 -0.74 -0.40 0.00 -2.27 0.00 0.00 64.05 60.70 3k8m n THR 600 Cb 0.41 -0.44 -0.11 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.56 3.23 0.41 4.78 1.51 -0.92 -4.98 117.35 118.83 3k8m s TYR 601 Ca -0.09 -1.00 0.15 0.00 -1.01 0.00 0.00 57.07 55.13 3k8m s TYR 601 Cb 0.06 -2.39 1.02 0.00 -0.11 0.00 0.00 41.96 40.54 3k8m s TYR 601 CO 0.76 -0.64 1.86 -1.35 -1.11 0.00 0.00 175.55 175.08 3k8m h PRO 602 N 8.38 0.45 0.00 -1.71 0.11 -1.90 0.26 132.00 137.58 3k8m h PRO 602 Ca -0.26 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 3k8m h PRO 602 Cb 1.11 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3k8m h PRO 602 CO 0.65 0.30 -0.00 0.00 -0.21 0.00 0.00 178.00 178.73 3k8m h ALA 603 N 1.62 1.07 0.00 -0.75 0.00 -1.87 0.83 119.26 120.16 3k8m h ALA 603 Ca 0.46 -0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.93 3k8m h ALA 603 Cb 1.04 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 3k8m h ALA 603 CO -0.18 0.01 -2.39 1.28 0.00 0.00 0.00 179.25 177.96 3k8m n LEU 604 N -3.19 1.98 -0.18 0.00 4.32 0.66 -2.69 117.00 117.90 3k8m n LEU 604 Ca -0.03 0.34 -0.01 0.00 -0.02 0.00 0.00 56.01 56.29 3k8m n LEU 604 Cb 0.10 -0.84 0.08 0.00 -1.62 0.00 0.00 43.42 41.14 3k8m n LEU 604 CO 0.22 0.55 0.93 0.00 -1.22 0.00 0.00 177.39 177.87 3k8m h ALA 605 N -0.90 0.64 0.00 -1.18 0.00 -0.57 -3.35 119.26 113.89 3k8m h ALA 605 Ca -0.66 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 3k8m h ALA 605 Cb 1.59 0.13 -0.20 0.00 0.00 0.00 0.00 17.79 19.31 3k8m h ALA 605 CO -0.39 -0.28 -0.65 -0.85 0.00 0.00 0.00 179.25 177.08 3k8m n GLU 606 N -5.09 0.00 -1.49 0.00 0.28 0.25 -4.50 120.64 110.08 3k8m n GLU 606 Ca 0.07 -1.34 -0.28 0.00 -0.16 0.00 0.00 57.16 55.45 3k8m n GLU 606 Cb 0.27 -0.04 0.21 0.00 1.43 0.00 0.00 31.44 33.31 3k8m n GLU 606 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3k8m n GLY 607 N 0.22 -1.98 0.00 -1.84 0.00 -0.96 -4.89 105.19 95.74 3k8m n GLY 607 Ca -0.03 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3k8m n GLY 607 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k8m n ASN 608 N -4.19 0.08 0.00 1.61 5.03 -0.49 -4.73 115.26 112.56 3k8m n ASN 608 Ca 0.15 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.60 3k8m n ASN 608 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.31 3k8m n ASN 608 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3k8m n THR 610 N 0.00 0.00 -1.59 3.41 -2.24 -0.30 -2.01 114.28 111.55 3k8m n THR 610 Ca 0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 3k8m n THR 610 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.51 0.96 -2.73 -0.78 5.02 -1.26 -0.62 118.16 118.25 3k8m n LYS 611 Ca 0.00 0.36 -0.35 0.00 -2.02 0.00 0.00 58.31 56.30 3k8m n LYS 611 Cb 0.00 -2.06 -0.06 0.00 -0.02 0.00 0.00 35.03 32.89 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 -1.49 3.43 0.26 2.13 5.65 -1.25 -4.59 115.29 119.43 3k8m s HIS 612 Ca 0.71 1.68 0.17 0.00 0.25 0.00 0.00 55.06 57.87 3k8m s HIS 612 Cb -0.46 -2.95 0.71 0.00 -1.18 0.00 0.00 32.58 28.70 3k8m s HIS 612 CO 0.51 -0.14 1.77 0.66 -0.65 0.00 0.00 174.74 176.89 3k8m h SER 613 N 2.51 0.00 0.00 9.88 4.64 -1.95 -3.39 113.55 125.24 3k8m h SER 613 Ca -0.48 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 3k8m h SER 613 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3k8m h SER 613 CO 0.63 0.39 -0.81 0.52 -0.87 0.00 0.00 176.83 176.69 3k8m n VAL 614 N -3.72 1.37 -2.74 0.95 0.31 -1.26 -4.90 118.33 108.34 3k8m n VAL 614 Ca -0.01 0.18 -0.42 0.00 -0.01 0.00 0.00 64.34 64.08 3k8m n VAL 614 Cb 0.48 -2.06 -0.03 0.00 -0.91 0.00 0.00 33.84 31.32 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 -2.58 2.79 0.00 3.52 2.02 -1.26 -4.54 117.35 117.30 3k8m s TYR 615 Ca -0.20 -1.03 0.00 0.00 -0.37 0.00 0.00 57.07 55.47 3k8m s TYR 615 Cb 0.03 -4.49 0.00 0.00 -0.40 0.00 0.00 41.96 37.11 3k8m s TYR 615 CO 0.29 -1.73 0.00 0.27 -1.57 0.00 0.00 175.55 172.81 3k8m n ASN 616 N 7.80 0.00 0.23 2.29 0.23 -1.26 -4.33 115.26 120.22 3k8m n ASN 616 Ca 0.25 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.37 3k8m n ASN 616 Cb 0.50 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.74 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 -0.27 -3.83 9.09 -1.87 -2.49 114.58 115.22 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 0.14 -0.03 0.66 0.05 0.00 0.00 179.01 179.84 3k8m h SER 618 N 0.00 0.38 -0.31 3.06 4.64 -1.89 -1.80 113.55 117.62 3k8m h SER 618 Ca -0.00 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 3k8m h SER 618 Cb 0.26 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 3k8m h SER 618 CO 0.02 0.46 0.08 0.00 -0.87 0.00 0.00 176.83 176.53 3k8m n GLN 619 N -4.30 2.44 0.25 4.77 1.13 -0.94 -4.49 117.38 116.25 3k8m n GLN 619 Ca 0.01 -1.41 0.17 0.00 -1.94 0.00 0.00 57.00 53.83 3k8m n GLN 619 Cb 0.23 -1.76 0.90 0.00 0.11 0.00 0.00 30.24 29.72 3k8m n GLN 619 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3k8m h GLU 620 N 1.43 0.00 0.00 -1.09 4.22 -1.40 -1.90 114.58 115.84 3k8m h GLU 620 Ca 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.50 3k8m h GLU 620 Cb 1.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 3k8m h GLU 620 CO 0.30 0.00 -0.14 -0.22 -2.18 0.00 0.00 179.01 176.77 3k8m h LYS 621 N 0.00 0.00 -0.01 1.92 3.64 -1.85 -3.33 116.57 116.94 3k8m h LYS 621 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3k8m h LYS 621 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3k8m h LYS 621 CO 0.00 0.74 -0.72 -0.25 -2.27 0.00 0.00 179.45 176.95 3k8m n ASP 622 N -4.63 1.36 -2.26 4.20 8.00 -1.21 -4.46 116.55 117.55 3k8m n ASP 622 Ca -0.10 -1.14 -0.01 0.00 0.71 0.00 0.00 54.79 54.25 3k8m n ASP 622 Cb 0.38 0.69 0.05 0.00 -0.02 0.00 0.00 41.12 42.22 3k8m n ASP 622 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3k8m n TYR 623 N -0.88 1.03 -0.29 1.24 4.01 -0.72 -4.93 117.16 116.62 3k8m n TYR 623 Ca 0.07 -1.68 0.18 0.00 -0.16 0.00 0.00 57.90 56.31 3k8m n TYR 623 Cb 0.39 -0.22 0.46 0.00 -0.31 0.00 0.00 39.34 39.65 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 2.04 0.50 0.00 -0.72 3.64 -1.67 -1.80 116.57 118.55 3k8m h LYS 624 Ca -0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3k8m h LYS 624 Cb 1.45 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3k8m h LYS 624 CO 0.22 0.33 0.00 -1.35 -2.27 0.00 0.00 179.45 176.38 3k8m h PRO 625 N 0.51 0.00 -6.35 1.90 0.11 -1.92 0.38 132.00 126.63 3k8m h PRO 625 Ca 0.52 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 66.09 3k8m h PRO 625 Cb 1.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3k8m h PRO 625 CO -0.25 0.00 0.28 0.42 -0.21 0.00 0.00 178.00 178.24 3k8m s ILE 626 N -3.29 4.81 -0.23 4.15 1.09 -0.68 0.14 121.20 127.20 3k8m s ILE 626 Ca 0.06 1.88 0.02 0.00 -1.10 0.00 0.00 60.65 61.52 3k8m s ILE 626 Cb 0.09 -4.24 0.05 0.00 -1.06 0.00 0.00 42.46 37.30 3k8m s ILE 626 CO 0.57 0.24 -0.13 0.00 -0.10 0.00 0.00 174.94 175.52 3k8m s ALA 627 N 0.62 2.39 0.04 9.38 0.00 -0.28 -1.18 121.76 132.73 3k8m s ALA 627 Ca 0.46 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3k8m s ALA 627 Cb -0.21 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 3k8m s ALA 627 CO 0.26 -0.95 -0.07 0.00 0.00 0.00 0.00 175.76 175.00 3k8m s ALA 628 N 1.21 0.55 0.01 0.00 0.00 -1.26 -0.34 121.76 121.92 3k8m s ALA 628 Ca -0.04 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 3k8m s ALA 628 Cb -0.18 0.05 0.10 0.00 0.00 0.00 0.00 23.12 23.10 3k8m s ALA 628 CO -0.07 -0.03 0.92 1.67 0.00 0.00 0.00 175.76 178.24 3k8m s TRP 629 N -1.43 -0.30 0.00 0.00 -2.14 -0.59 -3.90 118.94 110.58 3k8m s TRP 629 Ca -0.10 0.14 0.00 0.00 2.66 0.00 0.00 56.10 58.80 3k8m s TRP 629 Cb -0.10 0.55 0.00 0.00 -3.10 0.00 0.00 33.47 30.83 3k8m s TRP 629 CO 0.00 -0.56 0.00 0.66 -2.66 0.00 0.00 176.95 174.39 3k8m n TYR 630 N -0.27 -1.56 0.00 1.66 4.02 0.21 -0.75 117.16 120.47 3k8m n TYR 630 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3k8m n TYR 630 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.93 3k8m n TYR 630 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 3k8m n THR 632 N -0.53 0.00 -4.66 -0.72 5.66 -0.85 -1.15 114.28 112.02 3k8m n THR 632 Ca 0.00 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 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 -1.66 1.29 3.31 1.09 2.47 -0.93 -1.40 119.74 123.93 3k8m s LYS 633 Ca 0.00 -0.50 0.00 0.00 -1.56 0.00 0.00 55.97 53.91 3k8m s LYS 633 Cb 0.00 -1.20 0.00 0.00 -1.46 0.00 0.00 37.83 35.17 3k8m s LYS 633 CO 0.00 0.26 0.00 -0.25 0.16 0.00 0.00 175.35 175.52 3k8m n ASP 634 N 2.94 0.00 0.01 1.43 8.00 -1.26 -1.15 116.55 126.52 3k8m n ASP 634 Ca -0.16 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.45 3k8m n ASP 634 Cb 0.54 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.63 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 4.87 0.64 -4.69 -2.24 5.15 -1.26 -4.93 115.26 112.80 3k8m n ASN 635 Ca 0.00 -0.41 -0.42 0.00 -0.60 0.00 0.00 54.58 53.15 3k8m n ASN 635 Cb 0.00 0.91 -0.03 0.00 -0.53 0.00 0.00 39.78 40.13 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 -3.15 4.43 -0.11 1.20 2.12 -0.30 -4.95 118.70 117.94 3k8m s GLU 636 Ca 0.04 1.49 0.01 0.00 0.36 0.00 0.00 54.97 56.87 3k8m s GLU 636 Cb 0.15 -3.52 0.02 0.00 0.26 0.00 0.00 34.13 31.04 3k8m s GLU 636 CO 0.82 -0.29 -0.12 0.21 -0.54 0.00 0.00 175.26 175.34 3k8m s LYS 637 N 1.81 1.91 0.20 4.30 2.20 -1.26 -2.18 119.74 126.72 3k8m s LYS 637 Ca 0.51 -0.43 0.08 0.00 -0.36 0.00 0.00 55.97 55.77 3k8m s LYS 637 Cb -0.21 -1.73 -0.04 0.00 -1.51 0.00 0.00 37.83 34.34 3k8m s LYS 637 CO 0.21 -0.14 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.54 3k8m s LEU 638 N 1.23 3.20 -0.16 5.43 1.43 -1.26 -0.56 118.68 127.98 3k8m s LEU 638 Ca -0.03 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 3k8m s LEU 638 Cb -0.14 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.26 3k8m s LEU 638 CO -0.04 0.07 -0.16 -0.22 0.23 0.00 0.00 176.35 176.22 3k8m s LEU 639 N -3.14 2.37 -0.14 1.79 2.96 0.77 -4.38 118.68 118.92 3k8m s LEU 639 Ca 0.28 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3k8m s LEU 639 Cb -0.08 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 3k8m s LEU 639 CO 0.18 0.05 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.46 3k8m s VAL 640 N 0.98 3.09 -0.05 1.68 1.01 0.07 -0.75 120.40 126.44 3k8m s VAL 640 Ca -0.02 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3k8m s VAL 640 Cb -0.15 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.94 3k8m s VAL 640 CO -0.04 0.52 -0.10 -0.63 0.00 0.00 0.00 175.10 174.85 3k8m s ILE 641 N 0.45 0.90 0.03 2.22 -1.09 0.26 -1.54 121.20 122.42 3k8m s ILE 641 Ca -0.09 -0.38 0.04 0.00 -2.23 0.00 0.00 60.65 57.99 3k8m s ILE 641 Cb -0.16 -0.83 -0.02 0.00 -1.58 0.00 0.00 42.46 39.87 3k8m s ILE 641 CO 0.05 0.29 -0.12 -1.00 -1.23 0.00 0.00 174.94 172.93 3k8m s HIS 642 N 0.52 1.03 -0.40 3.97 3.76 0.54 -0.59 115.29 124.11 3k8m s HIS 642 Ca -0.09 -0.33 -0.08 0.00 -0.15 0.00 0.00 55.06 54.41 3k8m s HIS 642 Cb -0.13 -0.62 0.08 0.00 1.11 0.00 0.00 32.58 33.02 3k8m s HIS 642 CO 0.02 0.01 0.22 1.21 -0.85 0.00 0.00 174.74 175.35 3k8m s ASN 643 N -0.98 5.52 0.00 1.40 3.84 -0.44 -1.13 114.94 123.14 3k8m s ASN 643 Ca 0.00 -1.53 0.18 0.00 0.21 0.00 0.00 52.86 51.72 3k8m s ASN 643 Cb -0.07 -1.94 0.93 0.00 -0.55 0.00 0.00 41.25 39.62 3k8m s ASN 643 CO 0.01 -0.51 1.55 0.49 -2.79 0.00 0.00 177.10 175.85 3k8m n PHE 644 N 4.85 0.00 -3.76 0.43 3.01 0.12 -2.61 117.46 119.50 3k8m n PHE 644 Ca -0.09 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.13 3k8m n PHE 644 Cb 0.43 -0.26 -0.02 0.00 -0.01 0.00 0.00 39.48 39.61 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 -2.53 2.25 0.00 1.37 0.00 -1.26 -4.37 107.32 102.79 3k8m s GLY 645 Ca 0.18 -1.65 0.24 0.00 0.00 0.00 0.00 44.72 43.49 3k8m s GLY 645 CO 0.27 -1.84 1.30 0.61 0.00 0.00 0.00 173.10 173.44 3k8m n GLY 646 N -1.64 -1.14 3.61 0.20 0.00 -1.26 -0.36 105.19 104.60 3k8m n GLY 646 Ca 0.01 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 3k8m n GLY 646 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k8m s THR 647 N -2.97 5.17 1.35 2.61 2.01 -1.26 -4.15 115.64 118.40 3k8m s THR 647 Ca 0.11 0.59 -0.21 0.00 0.31 0.00 0.00 61.69 62.50 3k8m s THR 647 Cb 0.17 -3.71 0.33 0.00 0.01 0.00 0.00 72.50 69.31 3k8m s THR 647 CO 0.73 0.16 0.79 0.00 -0.69 0.00 0.00 174.62 175.61 3k8m n ALA 648 N 5.28 -4.14 -2.94 7.40 0.00 -1.26 -4.57 120.51 120.28 3k8m n ALA 648 Ca -0.08 -1.68 -0.18 0.00 0.00 0.00 0.00 53.44 51.50 3k8m n ALA 648 Cb 0.51 -1.55 -0.15 0.00 0.00 0.00 0.00 19.45 18.26 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 -4.66 0.61 -0.12 0.00 -0.21 -1.26 -4.95 119.66 109.07 3k8m s GLN 650 Ca 0.63 -0.21 -0.04 0.00 0.02 0.00 0.00 55.36 55.76 3k8m s GLN 650 Cb -0.14 -0.60 0.06 0.00 1.00 0.00 0.00 33.01 33.33 3k8m s GLN 650 CO 0.55 0.09 0.14 -0.51 -2.12 0.00 0.00 175.29 173.44 3k8m s LEU 651 N 0.09 0.06 0.20 2.90 1.43 0.19 -4.97 118.68 118.58 3k8m s LEU 651 Ca -0.01 -0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 52.76 3k8m s LEU 651 Cb -0.05 0.09 -0.08 0.00 0.03 0.00 0.00 46.19 46.17 3k8m s LEU 651 CO -0.00 -0.29 1.19 -2.16 0.23 0.00 0.00 176.35 175.32 3k8m s PRO 652 N 2.24 4.51 -0.18 1.29 0.04 -1.26 -1.40 135.00 140.23 3k8m s PRO 652 Ca 0.04 1.88 -0.00 0.00 0.04 0.00 0.00 61.00 62.96 3k8m s PRO 652 Cb -0.14 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.19 3k8m s PRO 652 CO -0.07 -0.05 -0.15 -0.51 0.04 0.00 0.00 177.00 176.26 3k8m s LEU 653 N -0.47 2.42 0.12 -3.56 1.43 -0.17 -4.96 118.68 113.49 3k8m s LEU 653 Ca 0.51 -0.54 0.10 0.00 -1.03 0.00 0.00 54.13 53.18 3k8m s LEU 653 Cb -0.33 -1.57 -0.16 0.00 0.03 0.00 0.00 46.19 44.16 3k8m s LEU 653 CO 0.38 0.02 1.19 0.74 0.23 0.00 0.00 176.35 178.91 3k8m h THR 654 N 5.81 1.37 -3.50 5.49 2.02 -1.96 -3.37 112.91 118.77 3k8m h THR 654 Ca -0.41 -3.02 -0.56 0.00 0.77 0.00 0.00 66.41 63.19 3k8m h THR 654 Cb 1.16 2.66 0.18 0.00 -1.74 0.00 0.00 68.15 70.41 3k8m h THR 654 CO 0.61 0.78 -0.14 0.47 0.37 0.00 0.00 175.52 177.61 3k8m n ASP 655 N -3.26 -0.33 -4.49 4.18 8.00 -1.26 -4.89 116.55 114.51 3k8m n ASP 655 Ca -0.03 0.63 -0.44 0.00 0.71 0.00 0.00 54.79 55.67 3k8m n ASP 655 Cb 0.91 -1.31 -0.01 0.00 -0.02 0.00 0.00 41.12 40.70 3k8m n ASP 655 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3k8m s LYS 656 N -3.05 3.98 0.20 -1.24 3.01 -1.26 -4.99 119.74 116.39 3k8m s LYS 656 Ca 0.69 -2.29 -0.31 0.00 -1.01 0.00 0.00 55.97 53.06 3k8m s LYS 656 Cb -0.35 -5.14 -0.10 0.00 -1.01 0.00 0.00 37.83 31.24 3k8m s LYS 656 CO 0.54 -1.88 1.47 0.42 0.51 0.00 0.00 175.35 176.41 3k8m s ILE 657 N 2.37 2.78 -0.12 2.17 -1.09 -1.26 0.12 121.20 126.17 3k8m s ILE 657 Ca 0.43 0.61 -0.12 0.00 -2.23 0.00 0.00 60.65 59.34 3k8m s ILE 657 Cb -0.02 -3.39 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 3k8m s ILE 657 CO -0.00 0.07 -0.25 1.21 -1.23 0.00 0.00 174.94 174.74 3k8m n GLU 658 N 3.16 0.38 -3.88 2.79 2.13 0.27 -4.73 120.64 120.76 3k8m n GLU 658 Ca 0.10 0.16 -0.09 0.00 0.66 0.00 0.00 57.16 57.99 3k8m n GLU 658 Cb 0.40 -1.16 -0.07 0.00 0.27 0.00 0.00 31.44 30.88 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 -2.56 0.90 -0.32 5.31 2.20 -1.15 -4.98 119.74 119.15 3k8m s LYS 659 Ca -0.22 -1.01 -0.12 0.00 -0.36 0.00 0.00 55.97 54.26 3k8m s LYS 659 Cb 0.05 0.35 -0.02 0.00 -1.51 0.00 0.00 37.83 36.70 3k8m s LYS 659 CO 0.31 -0.30 0.21 0.08 -0.36 0.00 0.00 175.35 175.30 3k8m s VAL 660 N -3.88 5.11 -0.08 4.02 1.01 -1.26 -0.64 120.40 124.68 3k8m s VAL 660 Ca 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 3k8m s VAL 660 Cb 0.05 -3.59 -0.26 0.00 0.00 0.00 0.00 36.38 32.58 3k8m s VAL 660 CO -0.09 0.05 0.53 -0.07 0.00 0.00 0.00 175.10 175.52 3k8m h LEU 661 N 8.44 0.32 -7.40 3.92 4.07 -1.40 0.19 115.31 123.46 3k8m h LEU 661 Ca -0.32 -0.66 -0.14 0.00 0.08 0.00 0.00 57.88 56.85 3k8m h LEU 661 Cb 1.16 -0.10 -0.24 0.00 1.08 0.00 0.00 40.66 42.55 3k8m h LEU 661 CO 0.62 1.58 -0.31 0.12 -1.08 0.00 0.00 178.44 179.37 3k8m s PHE 662 N -2.58 -0.35 0.02 1.13 5.36 -1.14 -4.09 117.98 116.32 3k8m s PHE 662 Ca -0.16 0.85 0.01 0.00 -0.96 0.00 0.00 56.93 56.67 3k8m s PHE 662 Cb 0.07 0.13 -0.01 0.00 -0.34 0.00 0.00 43.02 42.86 3k8m s PHE 662 CO 0.80 -0.21 -0.05 0.08 -1.46 0.00 0.00 175.22 174.38 3k8m s VAL 663 N 0.01 0.35 -0.23 3.12 1.01 -1.26 -1.62 120.40 121.77 3k8m s VAL 663 Ca -0.02 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 3k8m s VAL 663 Cb -0.03 -0.39 0.11 0.00 0.00 0.00 0.00 36.38 36.07 3k8m s VAL 663 CO 0.01 -0.23 0.46 0.21 0.00 0.00 0.00 175.10 175.55 3k8m s ASN 664 N -0.97 -0.36 0.00 3.32 2.47 -0.56 -4.98 114.94 113.85 3k8m s ASN 664 Ca -0.07 0.94 0.00 0.00 0.42 0.00 0.00 52.86 54.15 3k8m s ASN 664 Cb -0.07 1.49 0.00 0.00 -1.45 0.00 0.00 41.25 41.23 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 -1.70 3.59 1.21 0.00 -1.26 -0.43 105.19 112.00 3k8m n GLY 665 Ca -0.08 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 3k8m n GLY 665 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k8m s GLU 666 N 0.00 3.47 -0.24 1.61 2.12 -1.26 -4.94 118.70 119.46 3k8m s GLU 666 Ca 0.00 0.74 0.02 0.00 0.36 0.00 0.00 54.97 56.09 3k8m s GLU 666 Cb 0.00 -4.06 0.05 0.00 0.26 0.00 0.00 34.13 30.38 3k8m s GLU 666 CO 0.00 -1.71 -0.11 0.95 -0.54 0.00 0.00 175.26 173.85 3k8m s THR 667 N 5.67 1.94 0.22 -1.70 -4.23 -1.26 0.97 115.64 117.25 3k8m s THR 667 Ca 0.58 -1.37 0.09 0.00 -1.18 0.00 0.00 61.69 59.81 3k8m s THR 667 Cb -0.12 -2.04 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 3k8m s THR 667 CO 0.30 0.05 -0.06 -1.10 -0.54 0.00 0.00 174.62 173.27 3k8m s GLN 668 N 1.23 2.13 -0.02 3.99 -0.21 -0.26 -1.83 119.66 124.69 3k8m s GLN 668 Ca -0.05 -1.37 0.02 0.00 0.02 0.00 0.00 55.36 53.97 3k8m s GLN 668 Cb -0.18 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.70 3k8m s GLN 668 CO -0.07 0.40 -0.07 -1.14 -2.12 0.00 0.00 175.29 172.29 3k8m s GLN 669 N -3.25 0.73 -0.15 2.91 0.74 0.11 -0.48 119.66 120.28 3k8m s GLN 669 Ca 0.28 -0.22 -0.01 0.00 0.05 0.00 0.00 55.36 55.46 3k8m s GLN 669 Cb -0.07 -0.71 0.04 0.00 1.10 0.00 0.00 33.01 33.36 3k8m s GLN 669 CO 0.17 0.07 -0.02 1.21 -0.55 0.00 0.00 175.29 176.18 3k8m s ASN 670 N 0.24 2.51 -0.76 6.67 2.47 -0.06 -1.70 114.94 124.32 3k8m s ASN 670 Ca -0.03 -0.54 0.03 0.00 0.42 0.00 0.00 52.86 52.74 3k8m s ASN 670 Cb -0.08 -0.71 0.19 0.00 -1.45 0.00 0.00 41.25 39.20 3k8m s ASN 670 CO 0.00 -0.21 0.59 0.41 -3.72 0.00 0.00 177.10 174.17 3k8m n THR 671 N 4.99 2.06 0.00 -5.21 -1.04 -1.26 -0.97 114.28 112.84 3k8m n THR 671 Ca -0.10 -4.96 0.00 0.00 -2.04 0.00 0.00 64.05 56.95 3k8m n THR 671 Cb 0.48 -2.23 0.00 0.00 -1.82 0.00 0.00 70.33 66.76 3k8m n THR 671 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3k8m n ASP 672 N 1.97 0.00 -3.72 8.00 8.00 -1.20 -4.72 116.55 124.88 3k8m n ASP 672 Ca 0.21 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.45 3k8m n ASP 672 Cb 0.36 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.39 3k8m n ASP 672 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3k8m n SER 673 N 0.00 0.18 -4.39 -2.24 3.41 -1.26 -3.69 113.62 105.63 3k8m n SER 673 Ca 0.00 -1.69 -0.39 0.00 -0.26 0.00 0.00 58.87 56.53 3k8m n SER 673 Cb 0.00 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 63.55 3k8m n SER 673 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3k8m n ASP 674 N 6.90 -1.11 -3.68 4.04 8.00 -1.26 -4.91 116.55 124.52 3k8m n ASP 674 Ca 0.28 -1.21 -0.21 0.00 0.71 0.00 0.00 54.79 54.36 3k8m n ASP 674 Cb 0.35 -1.54 -0.18 0.00 -0.02 0.00 0.00 41.12 39.74 3k8m n ASP 674 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3k8m s SER 675 N -3.45 1.35 0.01 -2.24 0.01 -1.24 -5.14 113.70 103.00 3k8m s SER 675 Ca 0.61 -0.03 -0.29 0.00 1.31 0.00 0.00 55.95 57.56 3k8m s SER 675 Cb -0.36 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.64 3k8m s SER 675 CO 0.98 -0.25 0.94 -0.47 0.41 0.00 0.00 173.24 174.85 3k8m s TYR 676 N 2.13 3.67 -0.03 2.43 5.04 -1.26 -3.28 117.35 126.06 3k8m s TYR 676 Ca 0.05 1.65 0.03 0.00 -2.44 0.00 0.00 57.07 56.36 3k8m s TYR 676 Cb -0.13 -3.07 0.00 0.00 0.35 0.00 0.00 41.96 39.12 3k8m s TYR 676 CO -0.04 0.03 -0.10 0.99 -1.34 0.00 0.00 175.55 175.09 3k8m s THR 677 N 0.84 0.89 -0.12 4.34 2.01 -0.15 -1.00 115.64 122.46 3k8m s THR 677 Ca 0.49 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.09 3k8m s THR 677 Cb -0.21 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 3k8m s THR 677 CO 0.27 0.28 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.11 3k8m s LEU 678 N 0.23 2.66 -0.54 4.42 2.96 -0.49 -0.88 118.68 127.04 3k8m s LEU 678 Ca -0.04 -0.33 -0.13 0.00 -0.22 0.00 0.00 54.13 53.41 3k8m s LEU 678 Cb -0.10 -1.58 0.13 0.00 0.50 0.00 0.00 46.19 45.14 3k8m s LEU 678 CO 0.01 0.19 0.46 -0.75 -1.32 0.00 0.00 176.35 174.94 3k8m s LYS 679 N 0.19 2.83 -0.40 1.98 2.20 0.37 -0.64 119.74 126.28 3k8m s LYS 679 Ca -0.08 -1.82 -0.22 0.00 -0.36 0.00 0.00 55.97 53.49 3k8m s LYS 679 Cb -0.15 -4.15 0.01 0.00 -1.51 0.00 0.00 37.83 32.03 3k8m s LYS 679 CO 0.05 -1.27 0.70 -1.17 -0.36 0.00 0.00 175.35 173.30 3k8m s LEU 680 N 1.34 4.29 1.16 5.43 2.96 -1.26 -1.10 118.68 131.50 3k8m s LEU 680 Ca 0.06 0.01 -0.14 0.00 -0.22 0.00 0.00 54.13 53.83 3k8m s LEU 680 Cb -0.27 -2.86 0.27 0.00 0.50 0.00 0.00 46.19 43.84 3k8m s LEU 680 CO 0.00 -0.74 1.04 -0.83 -1.32 0.00 0.00 176.35 174.50 3k8m s GLY 681 N 1.93 1.53 0.13 7.98 0.00 0.27 -4.45 107.32 114.72 3k8m s GLY 681 Ca 0.27 -0.38 -0.31 0.00 0.00 0.00 0.00 44.72 44.30 3k8m s GLY 681 CO 0.18 0.37 1.59 -0.32 0.00 0.00 0.00 173.10 174.92 3k8m s GLY 682 N -2.97 1.57 -1.04 0.20 0.00 -1.26 -1.61 107.32 102.20 3k8m s GLY 682 Ca 0.68 1.31 0.00 0.00 0.00 0.00 0.00 44.72 46.71 3k8m s GLY 682 CO 0.61 2.70 0.00 -1.72 0.00 0.00 0.00 173.10 174.69 3k8m n TYR 683 N 4.47 0.00 -2.11 1.90 0.53 0.51 -4.80 117.16 117.66 3k8m n TYR 683 Ca 0.14 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 56.73 3k8m n TYR 683 Cb 0.39 -2.19 0.01 0.00 -1.03 0.00 0.00 39.34 36.52 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 -2.14 3.16 -0.06 -0.72 0.00 -0.64 -4.57 121.76 116.79 3k8m s ALA 684 Ca 0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 51.96 51.54 3k8m s ALA 684 Cb 0.00 -2.91 0.03 0.00 0.00 0.00 0.00 23.12 20.24 3k8m s ALA 684 CO 0.00 -0.68 0.33 -1.12 0.00 0.00 0.00 175.76 174.29 3k8m s SER 685 N -4.20 -0.26 -0.02 0.00 0.01 0.43 -1.33 113.70 108.34 3k8m s SER 685 Ca 0.53 0.33 -0.05 0.00 1.31 0.00 0.00 55.95 58.07 3k8m s SER 685 Cb -0.11 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.59 3k8m s SER 685 CO 0.51 -0.32 0.11 -0.69 0.41 0.00 0.00 173.24 173.26 3k8m s VAL 686 N -0.74 0.05 -0.13 3.43 1.01 0.24 -1.50 120.40 122.76 3k8m s VAL 686 Ca -0.08 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3k8m s VAL 686 Cb -0.04 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 36.05 3k8m s VAL 686 CO 0.03 -0.23 -0.14 -0.69 0.00 0.00 0.00 175.10 174.07 3k8m s VAL 687 N -0.77 1.49 0.10 2.92 1.01 -0.64 -0.58 120.40 123.94 3k8m s VAL 687 Ca -0.09 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.37 3k8m s VAL 687 Cb -0.05 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3k8m s VAL 687 CO 0.01 0.44 -0.17 -0.36 0.00 0.00 0.00 175.10 175.02 3k8m s PHE 688 N 1.29 2.56 -0.12 5.22 0.40 0.07 -1.02 117.98 126.39 3k8m s PHE 688 Ca -0.00 -0.25 -0.12 0.00 -0.60 0.00 0.00 56.93 55.96 3k8m s PHE 688 Cb -0.14 -1.37 -0.05 0.00 0.51 0.00 0.00 43.02 41.97 3k8m s PHE 688 CO -0.07 0.37 0.26 0.21 0.70 0.00 0.00 175.22 176.70 3k8m s LYS 689 N -2.03 3.97 0.18 0.44 2.20 0.19 -0.16 119.74 124.53 3k8m s LYS 689 Ca 0.18 0.07 -0.04 0.00 -0.36 0.00 0.00 55.97 55.82 3k8m s LYS 689 Cb -0.11 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 3k8m s LYS 689 CO 0.10 0.48 0.41 -0.51 -0.36 0.00 0.00 175.35 175.46 3k8m s LEU 690 N -0.24 4.23 0.28 5.43 1.43 0.28 -0.56 118.68 129.52 3k8m s LEU 690 Ca 0.17 0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 53.53 3k8m s LEU 690 Cb -0.13 -3.31 -0.12 0.00 0.03 0.00 0.00 46.19 42.66 3k8m s LEU 690 CO 0.05 -0.01 1.62 0.61 0.23 0.00 0.00 176.35 178.86 3k8m n GLY 691 N -0.23 1.38 0.00 -3.19 0.00 0.33 -4.68 105.19 98.80 3k8m n GLY 691 Ca -0.03 0.49 0.08 0.00 0.00 0.00 0.00 46.02 46.56 3k8m n GLY 691 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02