#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1a n ARG 6 N 0.00 0.00 0.00 1.43 0.63 -1.26 -3.26 116.66 114.19 3k1a n ARG 6 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3k1a n ARG 6 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3k1a n ARG 6 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3k1a n GLU 7 N 3.78 0.00 -0.28 -0.14 2.13 -1.26 0.47 120.64 125.34 3k1a n GLU 7 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 3k1a n GLU 7 Cb 0.00 0.00 0.08 0.00 0.27 0.00 0.00 31.44 31.79 3k1a n GLU 7 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3k1a h GLU 8 N 0.00 1.17 -0.53 5.31 5.08 -1.98 -3.05 114.58 120.59 3k1a h GLU 8 Ca 0.00 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3k1a h GLU 8 Cb 0.00 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3k1a h GLU 8 CO 0.00 0.94 0.22 0.28 -1.00 0.00 0.00 179.01 179.45 3k1a h VAL 9 N 1.15 1.21 -0.10 3.13 2.07 1.02 0.33 116.25 125.06 3k1a h VAL 9 Ca 0.27 -0.64 -0.11 0.00 0.82 0.00 0.00 66.70 67.04 3k1a h VAL 9 Cb 0.20 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3k1a h VAL 9 CO -0.02 0.25 -0.41 -0.33 0.02 0.00 0.00 177.57 177.07 3k1a h GLU 10 N 0.71 0.22 -0.52 1.57 5.08 -1.70 -0.09 114.58 119.85 3k1a h GLU 10 Ca 0.18 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 3k1a h GLU 10 Cb 0.18 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3k1a h GLU 10 CO -0.02 0.60 -0.15 0.77 -1.00 0.00 0.00 179.01 179.22 3k1a h SER 11 N 0.19 1.03 -0.33 1.42 0.02 -1.31 -2.47 113.55 112.09 3k1a h SER 11 Ca 0.02 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3k1a h SER 11 Cb 0.82 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 3k1a h SER 11 CO 0.06 1.17 0.19 0.25 -1.14 0.00 0.00 176.83 177.36 3k1a h LEU 12 N 0.89 0.40 0.04 5.07 5.85 0.03 -2.40 115.31 125.20 3k1a h LEU 12 Ca 0.13 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3k1a h LEU 12 Cb 0.72 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 3k1a h LEU 12 CO 0.06 0.35 -0.04 0.40 -0.34 0.00 0.00 178.44 178.86 3k1a h ILE 13 N 0.42 0.91 -0.25 4.05 2.04 -0.96 -1.87 117.51 121.84 3k1a h ILE 13 Ca 0.12 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 3k1a h ILE 13 Cb 0.02 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3k1a h ILE 13 CO -0.02 0.00 -0.17 0.06 0.00 0.00 0.00 178.15 178.02 3k1a h GLN 14 N -0.09 0.44 -0.42 2.37 -0.00 -1.45 -1.49 115.11 114.46 3k1a h GLN 14 Ca 0.00 -0.13 -0.04 0.00 -0.00 0.00 0.00 58.65 58.48 3k1a h GLN 14 Cb 0.09 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 27.51 3k1a h GLN 14 CO -0.01 0.60 0.10 0.93 -0.00 0.00 0.00 178.83 180.45 3k1a h GLU 15 N 0.40 0.67 -0.53 0.06 5.08 -1.23 -2.90 114.58 116.13 3k1a h GLU 15 Ca 0.07 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 3k1a h GLU 15 Cb 0.53 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3k1a h GLU 15 CO 0.03 0.68 -0.04 0.28 -1.00 0.00 0.00 179.01 178.97 3k1a h VAL 16 N 0.54 1.27 0.00 3.13 2.07 -1.11 -3.06 116.25 119.09 3k1a h VAL 16 Ca 0.13 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 3k1a h VAL 16 Cb 0.32 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3k1a h VAL 16 CO 0.00 0.41 -0.01 -0.07 0.02 0.00 0.00 177.57 177.92 3k1a h LEU 17 N 0.83 0.00 -0.83 2.57 3.38 -1.21 -3.20 115.31 116.85 3k1a h LEU 17 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3k1a h LEU 17 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3k1a h LEU 17 CO 0.04 0.01 0.00 -0.62 0.09 0.00 0.00 178.44 177.96 3k1a n GLU 18 N -3.15 0.18 0.16 1.13 1.02 -1.10 -2.24 120.64 116.64 3k1a n GLU 18 Ca -0.02 0.46 0.03 0.00 -0.02 0.00 0.00 57.16 57.62 3k1a n GLU 18 Cb 0.18 -1.88 0.18 0.00 -0.02 0.00 0.00 31.44 29.89 3k1a n GLU 18 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3k1a h VAL 19 N 0.00 0.95 -4.18 2.62 3.04 -1.76 -3.46 116.25 113.45 3k1a h VAL 19 Ca 0.00 -1.95 -0.49 0.00 -1.01 0.00 0.00 66.70 63.25 3k1a h VAL 19 Cb 0.29 2.20 0.05 0.00 -2.01 0.00 0.00 31.29 31.82 3k1a h VAL 19 CO 0.00 0.47 0.38 -0.31 -1.01 0.00 0.00 177.57 177.10 3k1a s TYR 20 N -3.28 3.07 1.01 3.17 2.02 -0.95 -5.06 117.35 117.33 3k1a s TYR 20 Ca 0.02 1.51 -0.11 0.00 -0.37 0.00 0.00 57.07 58.11 3k1a s TYR 20 Cb 0.10 -2.97 0.20 0.00 -0.40 0.00 0.00 41.96 38.88 3k1a s TYR 20 CO 0.72 -0.95 1.08 -2.14 -1.57 0.00 0.00 175.55 172.70 3k1a s PRO 21 N -3.98 0.31 0.23 -1.71 0.02 -1.26 -4.75 135.00 123.84 3k1a s PRO 21 Ca 0.63 1.08 -0.02 0.00 0.02 0.00 0.00 61.00 62.71 3k1a s PRO 21 Cb -0.15 -1.68 0.23 0.00 0.02 0.00 0.00 34.50 32.92 3k1a s PRO 21 CO 0.34 -2.97 1.62 0.93 -0.33 0.00 0.00 177.00 176.60 3k1a h GLU 22 N -2.09 0.65 0.04 5.54 5.08 -1.97 0.65 114.58 122.48 3k1a h GLU 22 Ca -0.52 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 57.56 3k1a h GLU 22 Cb 1.30 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3k1a h GLU 22 CO 0.48 0.88 -0.09 -0.22 -1.00 0.00 0.00 179.01 179.06 3k1a h LYS 23 N 0.55 -0.17 -0.40 2.33 3.64 -1.99 0.74 116.57 121.27 3k1a h LYS 23 Ca 0.07 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.33 3k1a h LYS 23 Cb 0.80 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3k1a h LYS 23 CO 0.07 -0.11 -0.25 0.00 -2.27 0.00 0.00 179.45 176.88 3k1a h ALA 24 N 0.76 0.57 -0.64 5.00 0.00 -1.92 -2.59 119.26 120.45 3k1a h ALA 24 Ca 0.02 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.56 3k1a h ALA 24 Cb 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3k1a h ALA 24 CO -0.06 0.58 0.39 -0.09 0.00 0.00 0.00 179.25 180.07 3k1a h ARG 25 N 0.70 0.74 -0.22 0.00 2.43 -0.68 0.29 114.38 117.64 3k1a h ARG 25 Ca 0.08 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 3k1a h ARG 25 Cb 0.82 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3k1a h ARG 25 CO 0.07 0.49 -0.28 0.87 -1.51 0.00 0.00 179.97 179.61 3k1a h LYS 26 N 0.76 0.43 0.04 0.20 1.57 -0.83 -2.36 116.57 116.38 3k1a h LYS 26 Ca 0.26 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3k1a h LYS 26 Cb 0.04 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3k1a h LYS 26 CO -0.11 0.68 -0.02 0.22 -0.57 0.00 0.00 179.45 179.65 3k1a h ASP 27 N 0.38 -0.05 -0.56 0.86 3.58 -1.02 -3.32 116.42 116.29 3k1a h ASP 27 Ca 0.05 -0.64 0.01 0.00 0.42 0.00 0.00 57.03 56.87 3k1a h ASP 27 Cb 0.69 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.73 3k1a h ASP 27 CO 0.05 0.70 0.37 0.03 -2.88 0.00 0.00 179.24 177.52 3k1a h ARG 28 N -0.88 0.75 -1.00 0.28 2.47 -0.50 -1.15 114.38 114.35 3k1a h ARG 28 Ca -0.01 -0.05 0.21 0.00 -1.26 0.00 0.00 59.98 58.88 3k1a h ARG 28 Cb 0.68 -0.17 -0.10 0.00 -1.65 0.00 0.00 29.97 28.73 3k1a h ARG 28 CO 0.01 0.50 0.62 -0.97 0.56 0.00 0.00 179.97 180.68 3k1a h ASN 29 N 0.77 0.69 0.90 7.04 -0.00 -1.54 -0.79 115.58 122.65 3k1a h ASN 29 Ca 0.21 0.10 -0.02 0.00 -0.00 0.00 0.00 56.30 56.59 3k1a h ASN 29 Cb -0.09 -0.02 -0.00 0.00 -0.00 0.00 0.00 38.32 38.21 3k1a h ASN 29 CO -0.04 0.22 -0.09 0.11 -0.00 0.00 0.00 177.43 177.62 3k1a h LYS 30 N 0.66 0.00 -0.28 6.67 1.57 -1.30 -3.17 116.57 120.71 3k1a h LYS 30 Ca 0.58 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.36 3k1a h LYS 30 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 3k1a h LYS 30 CO -0.37 0.09 0.00 0.72 -0.57 0.00 0.00 179.45 179.32 3k1a n HIS 31 N -3.24 0.35 -5.08 -1.35 8.25 -0.32 -2.11 115.22 111.72 3k1a n HIS 31 Ca 0.00 -0.19 -0.32 0.00 -0.26 0.00 0.00 57.72 56.95 3k1a n HIS 31 Cb 0.33 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.29 3k1a n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3k1a s LEU 32 N -1.52 2.35 0.08 2.41 1.43 -1.10 -0.93 118.68 121.40 3k1a s LEU 32 Ca 0.33 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.87 3k1a s LEU 32 Cb 0.21 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.99 3k1a s LEU 32 CO 0.29 0.24 0.35 0.00 0.23 0.00 0.00 176.35 177.46 3k1a s ALA 33 N -0.11 -0.80 -0.15 4.21 0.00 -0.33 -4.91 121.76 119.67 3k1a s ALA 33 Ca -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.89 3k1a s ALA 33 Cb -0.14 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 3k1a s ALA 33 CO 0.04 -0.52 -0.08 0.08 0.00 0.00 0.00 175.76 175.27 3k1a s VAL 34 N -3.17 3.45 -0.67 0.00 1.01 -1.26 0.20 120.40 119.95 3k1a s VAL 34 Ca -0.01 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 3k1a s VAL 34 Cb 0.01 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 3k1a s VAL 34 CO -0.07 0.51 1.68 0.21 0.00 0.00 0.00 175.10 177.43 3k1a s ASN 35 N 0.40 5.55 0.00 3.32 2.47 -0.20 -4.84 114.94 121.64 3k1a s ASN 35 Ca -0.07 0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.22 3k1a s ASN 35 Cb -0.15 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 3k1a s ASN 35 CO 0.04 -2.22 0.00 0.00 -3.72 0.00 0.00 177.10 171.20 3k1a s ILE 46 N -2.07 -0.00 0.30 0.00 2.07 -1.26 -4.68 121.20 115.56 3k1a s ILE 46 Ca 0.00 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.31 3k1a s ILE 46 Cb 0.00 -0.53 -0.03 0.00 0.13 0.00 0.00 42.46 42.03 3k1a s ILE 46 CO 0.00 0.00 0.26 0.27 -1.91 0.00 0.00 174.94 173.56 3k1a s ILE 47 N 0.22 3.96 0.35 2.00 -4.36 -0.90 -5.01 121.20 117.47 3k1a s ILE 47 Ca -0.00 -1.36 -0.16 0.00 -0.26 0.00 0.00 60.65 58.87 3k1a s ILE 47 Cb -0.03 -3.30 0.04 0.00 1.25 0.00 0.00 42.46 40.43 3k1a s ILE 47 CO 0.00 -0.25 0.73 -0.94 0.24 0.00 0.00 174.94 174.73 3k1a s SER 48 N -3.94 0.02 -1.68 4.36 1.04 -1.26 -4.53 113.70 107.71 3k1a s SER 48 Ca 0.38 -1.04 -0.02 0.00 0.48 0.00 0.00 55.95 55.75 3k1a s SER 48 Cb -0.07 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.85 3k1a s SER 48 CO 0.26 -1.55 0.24 -3.20 0.98 0.00 0.00 173.24 169.97 3k1a n ASN 49 N -1.14 -5.96 -4.75 7.02 4.05 -1.20 -4.81 115.26 108.46 3k1a n ASN 49 Ca -0.06 -0.13 -0.22 0.00 0.45 0.00 0.00 54.58 54.62 3k1a n ASN 49 Cb 0.60 -4.89 -0.06 0.00 1.23 0.00 0.00 39.78 36.66 3k1a n ASN 49 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3k1a s LYS 50 N -5.29 2.65 0.64 1.20 -0.14 -1.26 -4.98 119.74 112.55 3k1a s LYS 50 Ca 0.12 -1.22 -0.18 0.00 -1.36 0.00 0.00 55.97 53.33 3k1a s LYS 50 Cb -0.05 -2.39 -0.01 0.00 -1.68 0.00 0.00 37.83 33.70 3k1a s LYS 50 CO 0.15 0.37 1.24 -1.59 -0.76 0.00 0.00 175.35 174.76 3k1a s LYS 51 N -3.78 2.66 0.21 1.68 0.00 -1.26 -4.97 119.74 114.29 3k1a s LYS 51 Ca 0.33 1.89 -0.30 0.00 0.00 0.00 0.00 55.97 57.89 3k1a s LYS 51 Cb -0.07 -1.88 -0.08 0.00 0.00 0.00 0.00 37.83 35.80 3k1a s LYS 51 CO 0.23 -1.47 0.98 -1.12 0.00 0.00 0.00 175.35 173.97 3k1a s SER 52 N -1.62 7.54 0.09 0.03 0.01 -1.26 -5.02 113.70 113.47 3k1a s SER 52 Ca 0.79 1.97 -0.31 0.00 1.31 0.00 0.00 55.95 59.71 3k1a s SER 52 Cb -0.33 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.22 3k1a s SER 52 CO 0.38 0.05 1.49 -1.10 0.41 0.00 0.00 173.24 174.46 3k1a s GLN 53 N -0.92 4.26 0.35 12.44 -1.52 -1.26 -4.95 119.66 128.07 3k1a s GLN 53 Ca 0.43 2.16 -0.29 0.00 -1.95 0.00 0.00 55.36 55.72 3k1a s GLN 53 Cb -0.26 -3.39 -0.11 0.00 -0.22 0.00 0.00 33.01 29.03 3k1a s GLN 53 CO 0.33 -0.57 1.53 -2.30 -0.25 0.00 0.00 175.29 174.03 3k1a n PRO 54 N 4.67 2.72 -0.98 2.91 -0.02 -1.26 -3.51 135.00 139.53 3k1a n PRO 54 Ca 0.13 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.57 3k1a n PRO 54 Cb 0.41 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3k1a n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k1a n GLY 55 N 0.95 0.51 1.09 -1.23 0.00 -1.26 -4.91 105.19 100.34 3k1a n GLY 55 Ca 0.03 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.11 3k1a n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k1a n LEU 56 N 0.00 3.32 -2.87 0.99 4.77 -1.23 -4.98 117.00 116.99 3k1a n LEU 56 Ca 0.00 -1.34 -0.12 0.00 -0.03 0.00 0.00 56.01 54.52 3k1a n LEU 56 Cb 0.00 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 40.98 3k1a n LEU 56 CO 0.00 0.67 0.05 0.80 -1.33 0.00 0.00 177.39 177.57 3k1a n MET 57 N 1.45 -2.97 -1.25 3.23 0.00 -1.26 -3.59 117.12 112.72 3k1a n MET 57 Ca 0.18 0.67 -0.34 0.00 -0.00 0.00 0.00 57.70 58.21 3k1a n MET 57 Cb 0.61 -4.97 0.11 0.00 0.00 0.00 0.00 33.22 28.97 3k1a n MET 57 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 3k1a s THR 58 N -3.30 2.04 -1.55 1.12 -1.32 -1.26 -2.57 115.64 108.80 3k1a s THR 58 Ca 0.23 0.02 0.25 0.00 -1.21 0.00 0.00 61.69 60.97 3k1a s THR 58 Cb -0.03 -2.55 0.09 0.00 -1.51 0.00 0.00 72.50 68.50 3k1a s THR 58 CO 0.57 -0.01 1.34 -0.38 -2.21 0.00 0.00 174.62 173.94 3k1a n ILE 59 N -3.00 0.00 -1.85 5.08 5.41 -1.26 -4.94 119.36 118.79 3k1a n ILE 59 Ca 0.14 -0.11 -0.37 0.00 1.00 0.00 0.00 62.75 63.41 3k1a n ILE 59 Cb 0.50 0.63 0.05 0.00 -0.71 0.00 0.00 39.64 40.10 3k1a n ILE 59 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3k1a s ARG 60 N -2.67 2.94 0.00 0.38 0.52 -1.26 -5.08 118.95 113.78 3k1a s ARG 60 Ca 0.18 2.06 0.00 0.00 -0.52 0.00 0.00 55.73 57.45 3k1a s ARG 60 Cb 0.18 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.60 3k1a s ARG 60 CO 0.62 -1.30 0.00 0.41 0.02 0.00 0.00 175.30 175.05 3k1a n GLY 61 N 0.72 2.62 3.68 -3.53 0.00 -1.26 -5.02 105.19 102.40 3k1a n GLY 61 Ca 0.13 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 3k1a n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1a h ALA 63 N 1.57 1.76 -0.41 0.00 0.00 -1.69 -1.83 119.26 118.66 3k1a h ALA 63 Ca -0.43 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3k1a h ALA 63 Cb 1.28 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3k1a h ALA 63 CO 0.76 0.20 0.20 -0.92 0.00 0.00 0.00 179.25 179.49 3k1a h TYR 64 N 0.53 0.58 -0.83 0.00 5.03 -1.37 0.34 116.97 121.26 3k1a h TYR 64 Ca 0.17 -0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.54 3k1a h TYR 64 Cb 0.04 -0.18 -0.07 0.00 1.55 0.00 0.00 36.73 38.07 3k1a h TYR 64 CO -0.00 0.47 0.48 0.00 -1.32 0.00 0.00 178.16 177.80 3k1a h ALA 65 N 1.05 1.17 -0.40 1.82 0.00 -1.67 0.19 119.26 121.42 3k1a h ALA 65 Ca 0.14 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3k1a h ALA 65 Cb 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3k1a h ALA 65 CO -0.02 0.14 -0.20 0.78 0.00 0.00 0.00 179.25 179.95 3k1a h GLY 66 N 0.83 0.91 0.00 0.00 0.00 -0.92 -0.74 103.07 103.15 3k1a h GLY 66 Ca 0.39 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 3k1a h GLY 66 CO -0.23 0.75 -0.05 0.23 0.00 0.00 0.00 176.54 177.24 3k1a h SER 67 N 0.65 0.00 0.00 0.19 0.87 -0.62 -2.44 113.55 112.20 3k1a h SER 67 Ca 0.09 -0.45 -0.02 0.00 -1.23 0.00 0.00 61.79 60.17 3k1a h SER 67 Cb 0.76 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.71 3k1a h SER 67 CO 0.06 0.75 -0.14 0.50 -0.53 0.00 0.00 176.83 177.48 3k1a h LYS 68 N -1.00 0.00 -0.30 2.24 3.11 -0.78 0.31 116.57 120.14 3k1a h LYS 68 Ca -0.01 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.75 3k1a h LYS 68 Cb 0.49 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.70 3k1a h LYS 68 CO -0.01 0.98 -0.15 0.78 -2.81 0.00 0.00 179.45 178.24 3k1a h GLY 69 N -1.00 0.57 0.00 5.01 0.00 -1.06 0.17 103.07 106.76 3k1a h GLY 69 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3k1a h GLY 69 CO -0.02 0.38 -0.48 1.39 0.00 0.00 0.00 176.54 177.82 3k1a n ILE 70 N -4.18 1.12 -0.04 2.60 5.41 -0.65 -4.68 119.36 118.94 3k1a n ILE 70 Ca 0.00 0.26 -0.07 0.00 1.00 0.00 0.00 62.75 63.94 3k1a n ILE 70 Cb 0.35 -1.89 -0.06 0.00 -0.71 0.00 0.00 39.64 37.32 3k1a n ILE 70 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3k1a h VAL 71 N -0.48 0.82 0.16 1.39 2.07 -1.29 -3.41 116.25 115.51 3k1a h VAL 71 Ca 0.00 -1.55 -0.26 0.00 0.82 0.00 0.00 66.70 65.71 3k1a h VAL 71 Cb 0.48 1.53 0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3k1a h VAL 71 CO 0.00 0.27 -1.25 -0.50 0.02 0.00 0.00 177.57 176.11 3k1a h TRP 72 N -0.99 0.61 -0.87 1.57 4.06 -0.53 -3.39 115.95 116.42 3k1a h TRP 72 Ca -0.00 -0.45 0.23 0.00 2.06 0.00 0.00 58.89 60.73 3k1a h TRP 72 Cb 0.47 -0.02 -0.15 0.00 -1.00 0.00 0.00 29.16 28.46 3k1a h TRP 72 CO 0.12 1.48 0.12 0.78 -3.56 0.00 0.00 178.44 177.39 3k1a h GLY 73 N -0.01 1.19 2.00 1.49 0.00 -0.82 -1.02 103.07 105.90 3k1a h GLY 73 Ca -0.24 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3k1a h GLY 73 CO 0.15 -0.38 -0.01 -2.55 0.00 0.00 0.00 176.54 173.74 3k1a h PRO 74 N 0.13 0.00 -6.08 4.80 0.11 -1.79 -3.43 132.00 125.74 3k1a h PRO 74 Ca 0.52 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 66.05 3k1a h PRO 74 Cb 1.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3k1a h PRO 74 CO -0.72 0.01 1.42 0.42 -0.21 0.00 0.00 178.00 178.93 3k1a s ILE 75 N -4.65 3.08 0.02 4.15 1.01 -0.39 -4.17 121.20 120.26 3k1a s ILE 75 Ca -0.05 0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.64 3k1a s ILE 75 Cb 0.15 -3.10 -0.29 0.00 0.01 0.00 0.00 42.46 39.23 3k1a s ILE 75 CO 0.57 -0.06 0.93 0.07 0.00 0.00 0.00 174.94 176.45 3k1a h LYS 76 N 14.08 0.29 -0.08 2.79 2.10 -1.37 -3.31 116.57 131.08 3k1a h LYS 76 Ca -0.41 -0.49 0.00 0.00 -2.00 0.00 0.00 60.65 57.75 3k1a h LYS 76 Cb 1.23 0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.74 3k1a h LYS 76 CO 0.97 1.18 0.00 -0.40 -2.00 0.00 0.00 179.45 179.19 3k1a n ASP 77 N -3.50 1.56 -4.92 7.07 5.68 -1.26 -1.80 116.55 119.37 3k1a n ASP 77 Ca -0.15 -1.58 -0.28 0.00 -0.50 0.00 0.00 54.79 52.28 3k1a n ASP 77 Cb 1.05 -0.04 -0.04 0.00 -1.14 0.00 0.00 41.12 40.95 3k1a n ASP 77 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 3k1a s MET 78 N -1.92 3.41 -0.24 0.11 -1.94 -1.25 -1.47 119.30 116.00 3k1a s MET 78 Ca 0.36 -0.54 -0.10 0.00 -1.71 0.00 0.00 55.69 53.70 3k1a s MET 78 Cb 0.20 -2.98 -0.05 0.00 2.01 0.00 0.00 34.83 34.01 3k1a s MET 78 CO 0.31 0.56 0.14 0.42 -0.01 0.00 0.00 175.02 176.44 3k1a s ILE 79 N -1.63 5.15 -0.24 2.53 1.01 -0.47 -4.60 121.20 122.95 3k1a s ILE 79 Ca 0.34 0.11 -0.07 0.00 0.00 0.00 0.00 60.65 61.03 3k1a s ILE 79 Cb -0.12 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 3k1a s ILE 79 CO 0.28 0.34 0.06 -1.00 0.00 0.00 0.00 174.94 174.62 3k1a s HIS 80 N 1.18 3.09 -0.34 3.97 3.76 -1.26 -1.30 115.29 124.39 3k1a s HIS 80 Ca 0.07 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 54.43 3k1a s HIS 80 Cb -0.14 -2.21 -0.01 0.00 1.11 0.00 0.00 32.58 31.33 3k1a s HIS 80 CO 0.05 -0.31 0.41 0.42 -0.85 0.00 0.00 174.74 174.46 3k1a s ILE 81 N 1.45 5.12 -0.69 0.60 -1.09 0.66 -4.26 121.20 123.00 3k1a s ILE 81 Ca 0.05 0.16 -0.27 0.00 -2.23 0.00 0.00 60.65 58.37 3k1a s ILE 81 Cb -0.15 -3.86 0.01 0.00 -1.58 0.00 0.00 42.46 36.88 3k1a s ILE 81 CO 0.03 -0.12 1.53 -0.44 -1.23 0.00 0.00 174.94 174.71 3k1a s SER 82 N 1.74 5.78 -0.39 3.58 0.01 -0.15 -0.11 113.70 124.15 3k1a s SER 82 Ca 0.14 -0.13 -0.16 0.00 1.31 0.00 0.00 55.95 57.11 3k1a s SER 82 Cb -0.16 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.53 3k1a s SER 82 CO 0.12 -2.07 0.37 -2.28 0.41 0.00 0.00 173.24 169.79 3k1a s HIS 83 N 7.17 3.20 -5.00 2.43 2.46 -0.30 -2.63 115.29 122.63 3k1a s HIS 83 Ca 0.49 -0.32 0.00 0.00 0.47 0.00 0.00 55.06 55.70 3k1a s HIS 83 Cb -0.10 -2.74 0.00 0.00 -0.13 0.00 0.00 32.58 29.61 3k1a s HIS 83 CO 0.17 -0.58 0.00 0.41 -2.47 0.00 0.00 174.74 172.27 3k1a n GLY 84 N 5.08 0.77 3.64 1.59 0.00 -1.26 -1.06 105.19 113.95 3k1a n GLY 84 Ca -0.09 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 3k1a n GLY 84 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k1a s PRO 85 N -2.00 -0.89 0.47 1.61 0.02 -1.26 -0.86 135.00 132.09 3k1a s PRO 85 Ca 0.00 -0.08 0.27 0.00 0.02 0.00 0.00 61.00 61.21 3k1a s PRO 85 Cb 0.00 -1.64 0.76 0.00 0.02 0.00 0.00 34.50 33.64 3k1a s PRO 85 CO 0.00 -3.49 1.76 -0.24 -0.33 0.00 0.00 177.00 174.70 3k1a h VAL 86 N -2.42 0.09 0.49 3.83 3.04 -1.90 -3.39 116.25 115.99 3k1a h VAL 86 Ca -0.45 -0.89 -0.02 0.00 -1.01 0.00 0.00 66.70 64.33 3k1a h VAL 86 Cb 1.29 1.82 0.00 0.00 -2.01 0.00 0.00 31.29 32.39 3k1a h VAL 86 CO 0.36 0.04 -0.24 1.23 -1.01 0.00 0.00 177.57 177.96 3k1a h GLY 87 N 3.09 -0.69 0.05 3.17 0.00 -2.00 -2.96 103.07 103.73 3k1a h GLY 87 Ca -0.00 0.26 0.13 0.00 0.00 0.00 0.00 47.33 47.71 3k1a h GLY 87 CO 0.01 -0.25 0.11 0.00 0.00 0.00 0.00 176.54 176.41 3k1a h GLY 89 N 0.23 0.76 0.51 0.00 0.00 -1.82 -2.25 103.07 100.50 3k1a h GLY 89 Ca 0.35 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 3k1a h GLY 89 CO -0.46 0.42 -0.23 -1.61 0.00 0.00 0.00 176.54 174.66 3k1a h GLN 90 N 0.68 0.19 0.00 4.80 5.75 -0.68 -2.58 115.11 123.27 3k1a h GLN 90 Ca 0.15 -0.18 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 3k1a h GLN 90 Cb 0.33 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 3k1a h GLN 90 CO 0.01 0.87 -0.25 1.88 -2.65 0.00 0.00 178.83 178.68 3k1a h TYR 91 N -0.42 0.00 -0.24 3.99 0.05 -1.07 -2.32 116.97 116.96 3k1a h TYR 91 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3k1a h TYR 91 Cb 0.93 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.67 3k1a h TYR 91 CO 0.16 0.25 0.00 -1.13 -1.05 0.00 0.00 178.16 176.39 3k1a n SER 92 N -3.85 2.40 -4.63 3.88 3.41 -0.85 -4.73 113.62 109.25 3k1a n SER 92 Ca -0.02 -1.83 -0.43 0.00 -0.26 0.00 0.00 58.87 56.34 3k1a n SER 92 Cb 0.34 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 3k1a n SER 92 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3k1a s ARG 93 N -1.70 3.80 -1.78 4.33 3.52 -0.88 -3.58 118.95 122.67 3k1a s ARG 93 Ca 0.34 1.50 0.00 0.00 -0.13 0.00 0.00 55.73 57.44 3k1a s ARG 93 Cb 0.20 -4.00 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 3k1a s ARG 93 CO 0.28 -1.29 0.00 0.00 -0.81 0.00 0.00 175.30 173.49 3k1a n ALA 94 N 8.32 -0.51 0.11 6.12 0.00 -1.26 -4.86 120.51 128.42 3k1a n ALA 94 Ca 0.18 0.21 -0.23 0.00 0.00 0.00 0.00 53.44 53.60 3k1a n ALA 94 Cb 0.46 -1.99 -0.14 0.00 0.00 0.00 0.00 19.45 17.79 3k1a n ALA 94 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3k1a h GLY 95 N 0.00 0.68 -5.49 0.00 0.00 -1.85 -3.44 103.07 92.98 3k1a h GLY 95 Ca -0.43 -1.50 -0.61 0.00 0.00 0.00 0.00 47.33 44.80 3k1a h GLY 95 CO 0.55 1.31 -0.29 -1.60 0.00 0.00 0.00 176.54 176.51 3k1a s ARG 96 N -2.89 3.98 -0.56 4.80 3.52 -1.26 -5.01 118.95 121.53 3k1a s ARG 96 Ca -0.09 0.20 -0.04 0.00 -0.13 0.00 0.00 55.73 55.67 3k1a s ARG 96 Cb 0.05 -3.30 0.05 0.00 -1.56 0.00 0.00 34.95 30.19 3k1a s ARG 96 CO 0.94 0.51 2.77 0.54 -0.81 0.00 0.00 175.30 179.24 3k1a n ARG 97 N 2.61 2.70 -2.28 5.12 1.74 -1.26 -4.89 116.66 120.40 3k1a n ARG 97 Ca -0.14 -2.43 -0.36 0.00 -0.77 0.00 0.00 57.85 54.15 3k1a n ARG 97 Cb 0.53 -2.21 -0.04 0.00 -1.02 0.00 0.00 32.46 29.72 3k1a n ARG 97 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3k1a s ASN 98 N 0.46 5.72 0.48 0.55 4.22 -1.26 -2.06 114.94 123.05 3k1a s ASN 98 Ca 0.59 -0.57 -0.21 0.00 -2.14 0.00 0.00 52.86 50.53 3k1a s ASN 98 Cb 0.35 -2.55 -0.08 0.00 1.28 0.00 0.00 41.25 40.25 3k1a s ASN 98 CO -0.19 -2.16 1.07 -0.31 -2.04 0.00 0.00 177.10 173.47 3k1a s TYR 99 N 7.66 2.96 0.13 1.54 1.51 -0.53 -4.73 117.35 125.89 3k1a s TYR 99 Ca 0.56 1.58 -0.17 0.00 -1.01 0.00 0.00 57.07 58.03 3k1a s TYR 99 Cb -0.07 -3.14 0.04 0.00 -0.11 0.00 0.00 41.96 38.69 3k1a s TYR 99 CO 0.06 -0.99 0.43 1.52 -1.11 0.00 0.00 175.55 175.46 3k1a s TYR 100 N -1.87 -0.26 -0.19 2.71 1.13 -1.26 -2.15 117.35 115.46 3k1a s TYR 100 Ca 0.67 -0.03 -0.06 0.00 -1.41 0.00 0.00 57.07 56.23 3k1a s TYR 100 Cb -0.19 0.31 -0.03 0.00 -1.10 0.00 0.00 41.96 40.94 3k1a s TYR 100 CO 0.23 -0.72 0.03 0.42 -2.51 0.00 0.00 175.55 173.00 3k1a s ILE 101 N -3.77 4.36 -0.09 -3.49 -1.09 -1.26 -5.05 121.20 110.81 3k1a s ILE 101 Ca 0.02 -0.18 -0.31 0.00 -2.23 0.00 0.00 60.65 57.96 3k1a s ILE 101 Cb 0.01 -2.97 0.11 0.00 -1.58 0.00 0.00 42.46 38.03 3k1a s ILE 101 CO -0.12 0.43 1.38 -0.83 -1.23 0.00 0.00 174.94 174.57 3k1a s GLY 102 N 0.75 -0.26 -0.55 6.18 0.00 -1.26 -5.01 107.32 107.17 3k1a s GLY 102 Ca 0.02 0.29 -0.04 0.00 0.00 0.00 0.00 44.72 44.98 3k1a s GLY 102 CO 0.02 5.82 0.37 -1.59 0.00 0.00 0.00 173.10 177.72 3k1a s THR 103 N -2.01 3.77 0.18 0.90 2.01 -1.26 -4.96 115.64 114.27 3k1a s THR 103 Ca 0.30 -2.49 -0.31 0.00 0.31 0.00 0.00 61.69 59.50 3k1a s THR 103 Cb 0.01 -3.48 -0.09 0.00 0.01 0.00 0.00 72.50 68.95 3k1a s THR 103 CO -0.03 -0.82 1.44 -0.89 -0.69 0.00 0.00 174.62 173.63 3k1a s THR 104 N 0.52 2.93 0.00 -0.82 2.01 -1.26 -1.75 115.64 117.27 3k1a s THR 104 Ca 0.13 0.71 0.00 0.00 0.31 0.00 0.00 61.69 62.84 3k1a s THR 104 Cb -0.21 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 68.84 3k1a s THR 104 CO -0.04 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 3k1a n GLY 105 N 3.04 2.70 0.53 4.40 0.00 0.22 -4.86 105.19 111.23 3k1a n GLY 105 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 3k1a n GLY 105 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k1a n VAL 106 N -2.00 0.80 0.09 1.61 0.31 -0.72 -4.90 118.33 113.52 3k1a n VAL 106 Ca 0.00 0.26 0.01 0.00 -0.01 0.00 0.00 64.34 64.60 3k1a n VAL 106 Cb 0.00 -1.67 -0.01 0.00 -0.91 0.00 0.00 33.84 31.25 3k1a n VAL 106 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3k1a n ASN 107 N -3.36 0.23 -4.19 4.52 2.04 -0.74 -4.27 115.26 109.49 3k1a n ASN 107 Ca -0.04 -0.61 -0.18 0.00 -0.44 0.00 0.00 54.58 53.30 3k1a n ASN 107 Cb 0.15 0.87 -0.12 0.00 -2.53 0.00 0.00 39.78 38.16 3k1a n ASN 107 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3k1a s ALA 108 N -1.06 1.27 0.00 -2.53 0.00 -1.02 -4.28 121.76 114.14 3k1a s ALA 108 Ca 0.01 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.87 3k1a s ALA 108 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3k1a s ALA 108 CO 0.07 0.14 0.51 1.19 0.00 0.00 0.00 175.76 177.67 3k1a n PHE 109 N 1.03 0.00 -0.15 0.00 3.72 -0.75 0.73 117.46 122.05 3k1a n PHE 109 Ca -0.19 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.12 3k1a n PHE 109 Cb 0.55 0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 3k1a n PHE 109 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3k1a h VAL 110 N 3.62 1.16 0.00 -4.37 2.07 -1.85 -1.96 116.25 114.92 3k1a h VAL 110 Ca 0.00 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3k1a h VAL 110 Cb 1.06 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3k1a h VAL 110 CO 0.00 0.17 0.00 0.35 0.02 0.00 0.00 177.57 178.11 3k1a n THR 111 N -4.70 0.07 -2.85 2.57 -2.24 -1.26 -4.75 114.28 101.12 3k1a n THR 111 Ca 0.01 0.02 -0.27 0.00 -2.27 0.00 0.00 64.05 61.53 3k1a n THR 111 Cb 0.09 -0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 67.75 3k1a n THR 111 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3k1a s MET 112 N -2.37 3.57 -0.35 -0.78 1.00 -0.74 -4.42 119.30 115.21 3k1a s MET 112 Ca 0.32 0.13 0.01 0.00 0.00 0.00 0.00 55.69 56.15 3k1a s MET 112 Cb 0.19 -2.45 0.09 0.00 0.00 0.00 0.00 34.83 32.67 3k1a s MET 112 CO 0.39 -0.09 0.08 1.21 0.00 0.00 0.00 175.02 176.62 3k1a s ASN 113 N -3.88 4.92 -0.11 3.03 2.47 -1.26 -4.91 114.94 115.20 3k1a s ASN 113 Ca 0.46 -1.94 -0.13 0.00 0.42 0.00 0.00 52.86 51.66 3k1a s ASN 113 Cb -0.10 -1.70 -0.05 0.00 -1.45 0.00 0.00 41.25 37.95 3k1a s ASN 113 CO 0.40 -0.40 0.31 -0.36 -3.72 0.00 0.00 177.10 173.33 3k1a s PHE 114 N 1.04 3.55 -0.05 0.43 0.40 -1.26 -5.06 117.98 117.03 3k1a s PHE 114 Ca 0.06 0.70 -0.22 0.00 -0.60 0.00 0.00 56.93 56.88 3k1a s PHE 114 Cb -0.20 -2.29 0.05 0.00 0.51 0.00 0.00 43.02 41.08 3k1a s PHE 114 CO -0.06 0.40 0.49 -0.08 0.70 0.00 0.00 175.22 176.67 3k1a s THR 115 N -0.09 0.03 -1.93 0.64 -1.32 -1.26 -0.98 115.64 110.73 3k1a s THR 115 Ca 0.19 -0.21 0.29 0.00 -1.21 0.00 0.00 61.69 60.75 3k1a s THR 115 Cb -0.14 -0.79 0.56 0.00 -1.51 0.00 0.00 72.50 70.63 3k1a s THR 115 CO 0.07 -0.12 1.90 -1.54 -2.21 0.00 0.00 174.62 172.71 3k1a n SER 116 N 1.34 0.64 -4.07 8.08 3.41 -1.08 -4.97 113.62 116.98 3k1a n SER 116 Ca -0.19 -0.90 -0.45 0.00 -0.26 0.00 0.00 58.87 57.07 3k1a n SER 116 Cb 0.56 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.50 3k1a n SER 116 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3k1a n ASP 117 N -0.68 -4.02 -4.66 4.04 2.03 -1.04 -4.71 116.55 107.51 3k1a n ASP 117 Ca 0.17 -1.26 -0.48 0.00 0.52 0.00 0.00 54.79 53.74 3k1a n ASP 117 Cb 0.26 -1.53 -0.05 0.00 -0.72 0.00 0.00 41.12 39.08 3k1a n ASP 117 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3k1a n PHE 118 N -4.83 2.15 -3.61 -0.67 3.01 -0.04 -4.88 117.46 108.59 3k1a n PHE 118 Ca -0.12 0.29 -0.23 0.00 1.01 0.00 0.00 57.45 58.40 3k1a n PHE 118 Cb 0.55 -2.53 -0.00 0.00 -0.01 0.00 0.00 39.48 37.49 3k1a n PHE 118 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3k1a s GLN 119 N 1.63 2.38 0.43 -1.08 -1.52 -1.26 -4.59 119.66 115.65 3k1a s GLN 119 Ca 0.84 -1.76 0.13 0.00 -1.95 0.00 0.00 55.36 52.62 3k1a s GLN 119 Cb -0.75 -2.31 0.92 0.00 -0.22 0.00 0.00 33.01 30.66 3k1a s GLN 119 CO 0.44 -0.49 1.96 1.49 -0.25 0.00 0.00 175.29 178.44 3k1a h GLU 120 N 0.76 0.08 -0.67 2.91 4.81 -1.99 -0.91 114.58 119.57 3k1a h GLU 120 Ca -0.37 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.88 3k1a h GLU 120 Cb 1.29 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 3k1a h GLU 120 CO 0.54 0.25 0.44 1.57 -0.73 0.00 0.00 179.01 181.08 3k1a h LYS 121 N 0.08 0.74 -0.07 1.92 2.10 -1.98 -0.82 116.57 118.54 3k1a h LYS 121 Ca 0.01 -0.04 -0.14 0.00 -2.00 0.00 0.00 60.65 58.48 3k1a h LYS 121 Cb 0.35 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.50 3k1a h LYS 121 CO 0.02 0.49 -0.60 -0.44 -2.00 0.00 0.00 179.45 176.93 3k1a h ASP 122 N 0.77 0.27 -0.38 7.07 3.32 -1.42 -0.01 116.42 126.04 3k1a h ASP 122 Ca 0.27 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 3k1a h ASP 122 Cb 0.12 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3k1a h ASP 122 CO -0.08 0.81 -0.14 0.40 -1.72 0.00 0.00 179.24 178.51 3k1a h ILE 123 N 0.18 1.28 0.06 0.35 1.08 -0.98 -0.03 117.51 119.46 3k1a h ILE 123 Ca -0.01 -1.24 -0.00 0.00 -0.39 0.00 0.00 64.86 63.22 3k1a h ILE 123 Cb 1.10 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 36.15 3k1a h ILE 123 CO 0.09 0.41 -0.03 0.58 -0.69 0.00 0.00 178.15 178.51 3k1a h VAL 124 N 0.56 0.94 0.00 1.67 2.07 -1.13 -3.37 116.25 116.99 3k1a h VAL 124 Ca 0.09 -1.51 -0.18 0.00 0.82 0.00 0.00 66.70 65.92 3k1a h VAL 124 Cb 0.67 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 3k1a h VAL 124 CO 0.05 0.29 -0.86 -0.26 0.02 0.00 0.00 177.57 176.81 3k1a h PHE 125 N -0.94 0.02 0.00 1.57 -1.00 -1.13 -3.51 116.94 111.94 3k1a h PHE 125 Ca -0.01 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.76 3k1a h PHE 125 Cb 0.54 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.10 3k1a h PHE 125 CO 0.13 0.87 0.00 0.41 -1.61 0.00 0.00 178.31 178.10 3k1a n GLY 126 N 0.94 2.48 0.49 -1.45 0.00 -0.03 -4.95 105.19 102.68 3k1a n GLY 126 Ca -0.01 -1.95 0.05 0.00 0.00 0.00 0.00 46.02 44.11 3k1a n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1a n GLY 127 N 0.86 1.51 0.26 -0.02 0.00 -1.23 -4.56 105.19 102.01 3k1a n GLY 127 Ca 0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 3k1a n GLY 127 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k1a h ASP 128 N 1.83 0.92 0.19 1.61 3.32 -1.93 0.91 116.42 123.26 3k1a h ASP 128 Ca 0.00 -0.40 -0.07 0.00 0.02 0.00 0.00 57.03 56.58 3k1a h ASP 128 Cb 0.59 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3k1a h ASP 128 CO 0.00 1.11 -0.28 0.11 -1.72 0.00 0.00 179.24 178.46 3k1a h LYS 129 N 0.72 0.17 -0.31 3.56 1.57 -1.97 -2.46 116.57 117.84 3k1a h LYS 129 Ca 0.10 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 3k1a h LYS 129 Cb 0.76 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 3k1a h LYS 129 CO 0.06 0.44 -0.36 -0.22 -0.57 0.00 0.00 179.45 178.81 3k1a h LYS 130 N 0.15 0.80 -0.70 3.15 3.64 -1.74 -2.81 116.57 119.06 3k1a h LYS 130 Ca 0.02 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3k1a h LYS 130 Cb 0.58 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 3k1a h LYS 130 CO 0.04 1.07 0.44 1.25 -2.27 0.00 0.00 179.45 179.98 3k1a h LEU 131 N 0.57 0.83 -0.37 5.20 6.46 -0.67 -0.36 115.31 126.95 3k1a h LEU 131 Ca 0.04 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 3k1a h LEU 131 Cb 0.94 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.65 3k1a h LEU 131 CO 0.09 0.63 0.15 0.00 -0.62 0.00 0.00 178.44 178.69 3k1a h ALA 132 N 1.24 0.48 -0.61 1.25 0.00 -1.47 -0.66 119.26 119.48 3k1a h ALA 132 Ca 0.25 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3k1a h ALA 132 Cb -0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3k1a h ALA 132 CO -0.05 0.08 0.17 -0.22 0.00 0.00 0.00 179.25 179.23 3k1a h LYS 133 N 0.45 0.94 -0.04 0.00 1.63 -1.26 -2.64 116.57 115.65 3k1a h LYS 133 Ca 0.12 -0.19 -0.15 0.00 -0.85 0.00 0.00 60.65 59.58 3k1a h LYS 133 Cb 0.17 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 3k1a h LYS 133 CO -0.01 0.82 -0.66 1.37 -3.45 0.00 0.00 179.45 177.53 3k1a h LEU 134 N 0.91 0.21 -0.57 5.20 8.10 -0.77 -1.81 115.31 126.58 3k1a h LEU 134 Ca 0.20 -0.13 -0.00 0.00 0.11 0.00 0.00 57.88 58.06 3k1a h LEU 134 Cb 0.29 -0.06 -0.03 0.00 -0.44 0.00 0.00 40.66 40.42 3k1a h LEU 134 CO -0.00 0.81 0.35 0.40 -4.11 0.00 0.00 178.44 175.88 3k1a h ILE 135 N 0.13 1.17 -0.65 0.15 2.04 -0.93 0.15 117.51 119.56 3k1a h ILE 135 Ca -0.01 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3k1a h ILE 135 Cb 1.18 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3k1a h ILE 135 CO 0.10 0.17 0.38 0.44 0.00 0.00 0.00 178.15 179.23 3k1a h ASP 136 N 0.77 0.79 -0.35 1.72 3.32 -1.29 -1.92 116.42 119.46 3k1a h ASP 136 Ca 0.21 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 3k1a h ASP 136 Cb -0.03 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3k1a h ASP 136 CO -0.04 0.64 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.77 3k1a h GLU 137 N 0.88 0.72 -0.31 3.56 5.08 -0.99 -2.04 114.58 121.49 3k1a h GLU 137 Ca 0.23 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3k1a h GLU 137 Cb 0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3k1a h GLU 137 CO -0.04 0.75 0.14 0.28 -1.00 0.00 0.00 179.01 179.14 3k1a h VAL 138 N 0.68 1.16 -0.96 3.13 2.07 -0.73 -2.33 116.25 119.27 3k1a h VAL 138 Ca 0.13 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3k1a h VAL 138 Cb 0.44 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3k1a h VAL 138 CO 0.02 0.16 0.60 -0.33 0.02 0.00 0.00 177.57 178.04 3k1a h GLU 139 N 0.36 1.29 -0.36 1.57 4.39 -1.01 0.31 114.58 121.14 3k1a h GLU 139 Ca 0.10 -0.10 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 3k1a h GLU 139 Cb 0.13 -0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 3k1a h GLU 139 CO -0.01 0.89 -0.41 1.79 -1.16 0.00 0.00 179.01 180.11 3k1a h THR 140 N 1.32 1.27 0.00 1.13 1.35 -1.30 -3.12 112.91 113.56 3k1a h THR 140 Ca 0.35 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 3k1a h THR 140 Cb -0.09 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 3k1a h THR 140 CO -0.07 0.53 -1.27 0.18 -0.25 0.00 0.00 175.52 174.64 3k1a n LEU 141 N -4.07 0.53 -3.15 3.87 4.77 -0.88 -4.50 117.00 113.57 3k1a n LEU 141 Ca -0.03 0.06 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 3k1a n LEU 141 Cb 0.56 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 3k1a n LEU 141 CO 0.49 -0.02 -0.16 0.49 -1.33 0.00 0.00 177.39 176.85 3k1a n PHE 142 N -2.21 0.93 -0.30 -1.77 3.72 0.11 -4.98 117.46 112.97 3k1a n PHE 142 Ca -0.00 -3.83 0.11 0.00 -0.05 0.00 0.00 57.45 53.69 3k1a n PHE 142 Cb 0.50 -0.43 0.35 0.00 -0.94 0.00 0.00 39.48 38.96 3k1a n PHE 142 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3k1a h PRO 143 N 3.19 0.73 0.00 -1.08 0.13 -1.72 -2.49 132.00 130.75 3k1a h PRO 143 Ca 0.11 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3k1a h PRO 143 Cb 0.86 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3k1a h PRO 143 CO 0.56 0.48 0.00 1.28 -0.23 0.00 0.00 178.00 180.10 3k1a n LEU 144 N -4.59 0.00 -4.77 1.56 4.32 -1.26 -4.81 117.00 107.44 3k1a n LEU 144 Ca 0.19 0.01 -0.40 0.00 -0.02 0.00 0.00 56.01 55.78 3k1a n LEU 144 Cb 0.47 -0.01 -0.00 0.00 -1.62 0.00 0.00 43.42 42.26 3k1a n LEU 144 CO 0.28 -0.00 1.06 0.54 -1.22 0.00 0.00 177.39 178.05 3k1a s ASN 145 N -2.02 6.33 -0.13 -1.43 2.20 -0.94 -4.84 114.94 114.12 3k1a s ASN 145 Ca 0.42 2.89 0.16 0.00 -0.94 0.00 0.00 52.86 55.39 3k1a s ASN 145 Cb 0.20 -2.66 0.57 0.00 -2.00 0.00 0.00 41.25 37.36 3k1a s ASN 145 CO 0.33 -0.86 1.49 0.29 -2.94 0.00 0.00 177.10 175.41 3k1a n LYS 146 N 0.35 3.39 0.00 3.55 4.76 -0.54 -5.01 118.16 124.65 3k1a n LYS 146 Ca 0.02 -2.72 0.00 0.00 -2.87 0.00 0.00 58.31 52.74 3k1a n LYS 146 Cb 0.41 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 3k1a n LYS 146 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k1a n GLY 147 N 0.33 3.81 3.14 0.72 0.00 -1.26 -4.72 105.19 107.20 3k1a n GLY 147 Ca 0.21 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 3k1a n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k1a s ILE 148 N -2.00 1.21 0.08 -0.61 1.01 0.07 -1.37 121.20 119.59 3k1a s ILE 148 Ca 0.00 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 59.96 3k1a s ILE 148 Cb 0.00 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 3k1a s ILE 148 CO 0.00 0.24 -0.24 -0.94 0.00 0.00 0.00 174.94 174.00 3k1a s SER 149 N -0.62 3.44 -0.30 3.58 1.04 -0.42 -0.43 113.70 119.98 3k1a s SER 149 Ca 0.05 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 55.87 3k1a s SER 149 Cb -0.07 -0.37 0.06 0.00 0.10 0.00 0.00 66.02 65.74 3k1a s SER 149 CO 0.00 0.23 -0.00 0.54 0.98 0.00 0.00 173.24 174.98 3k1a s VAL 150 N -0.95 2.86 -0.48 5.02 0.11 0.43 -0.24 120.40 127.14 3k1a s VAL 150 Ca 0.14 -1.49 -0.19 0.00 -2.93 0.00 0.00 61.98 57.50 3k1a s VAL 150 Cb -0.10 -2.68 0.05 0.00 -1.53 0.00 0.00 36.38 32.11 3k1a s VAL 150 CO 0.05 -0.14 0.61 -1.10 -3.33 0.00 0.00 175.10 171.19 3k1a s GLN 151 N 1.21 3.15 0.18 1.54 -1.52 0.84 -1.45 119.66 123.62 3k1a s GLN 151 Ca -0.05 -0.76 -0.30 0.00 -1.95 0.00 0.00 55.36 52.30 3k1a s GLN 151 Cb -0.20 -4.05 -0.09 0.00 -0.22 0.00 0.00 33.01 28.45 3k1a s GLN 151 CO -0.02 -1.14 1.36 -1.12 -0.25 0.00 0.00 175.29 174.12 3k1a s SER 152 N 2.45 6.83 0.39 5.90 0.01 -0.75 -1.15 113.70 127.39 3k1a s SER 152 Ca 0.17 2.43 0.08 0.00 1.31 0.00 0.00 55.95 59.93 3k1a s SER 152 Cb -0.18 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.45 3k1a s SER 152 CO 0.14 -0.60 0.54 -1.61 0.41 0.00 0.00 173.24 172.12 3k1a s GLU 153 N 0.22 2.91 0.18 12.44 2.02 -0.22 -3.07 118.70 133.18 3k1a s GLU 153 Ca 0.60 -1.17 -0.11 0.00 0.02 0.00 0.00 54.97 54.30 3k1a s GLU 153 Cb -0.38 -2.78 0.21 0.00 0.10 0.00 0.00 34.13 31.29 3k1a s GLU 153 CO 0.36 -0.17 1.12 0.00 0.02 0.00 0.00 175.26 176.60 3k1a h PRO 155 N 0.00 0.00 -0.60 0.00 0.11 -1.96 -3.33 132.00 126.22 3k1a h PRO 155 Ca 0.27 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.42 3k1a h PRO 155 Cb 0.45 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.52 3k1a h PRO 155 CO -0.72 0.00 0.36 0.82 -0.21 0.00 0.00 178.00 178.25 3k1a h ILE 156 N 0.00 1.05 0.20 4.15 1.08 -1.60 0.47 117.51 122.86 3k1a h ILE 156 Ca 0.00 -0.24 -0.31 0.00 -0.39 0.00 0.00 64.86 63.92 3k1a h ILE 156 Cb 0.49 0.28 0.03 0.00 -3.07 0.00 0.00 36.82 34.55 3k1a h ILE 156 CO 0.00 0.13 -1.38 1.23 -0.69 0.00 0.00 178.15 177.44 3k1a h GLY 157 N 0.71 0.52 1.45 5.37 0.00 -1.78 -2.66 103.07 106.67 3k1a h GLY 157 Ca 0.25 -1.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.27 3k1a h GLY 157 CO -0.11 1.14 0.26 1.41 0.00 0.00 0.00 176.54 179.23 3k1a h LEU 158 N 0.13 0.65 -0.40 3.11 3.38 -1.64 -2.69 115.31 117.85 3k1a h LEU 158 Ca -0.21 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3k1a h LEU 158 Cb 2.08 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.67 3k1a h LEU 158 CO 0.25 0.55 0.00 -0.29 0.09 0.00 0.00 178.44 179.03 3k1a h ILE 159 N 0.73 0.00 0.00 1.22 2.10 -0.98 -3.47 117.51 117.10 3k1a h ILE 159 Ca 0.18 -0.59 0.00 0.00 1.08 0.00 0.00 64.86 65.53 3k1a h ILE 159 Cb 0.06 1.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 3k1a h ILE 159 CO -0.03 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.65 3k1a n GLY 160 N 0.77 0.54 3.81 8.18 0.00 -1.01 -4.96 105.19 112.50 3k1a n GLY 160 Ca 0.04 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 3k1a n GLY 160 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k1a s ASP 161 N -2.87 6.23 -0.62 1.61 1.01 -1.01 -5.03 116.67 115.99 3k1a s ASP 161 Ca 0.00 1.84 0.04 0.00 0.71 0.00 0.00 52.55 55.14 3k1a s ASP 161 Cb 0.00 -2.54 0.15 0.00 1.01 0.00 0.00 42.92 41.54 3k1a s ASP 161 CO 0.00 -0.86 0.39 -0.62 0.21 0.00 0.00 175.17 174.30 3k1a s ASP 162 N -2.37 4.62 0.53 0.27 2.15 -1.26 -4.81 116.67 115.81 3k1a s ASP 162 Ca 0.65 -3.46 0.28 0.00 0.43 0.00 0.00 52.55 50.45 3k1a s ASP 162 Cb -0.15 -1.65 1.47 0.00 -0.30 0.00 0.00 42.92 42.30 3k1a s ASP 162 CO 0.26 -0.16 2.08 0.16 -0.17 0.00 0.00 175.17 177.34 3k1a h ILE 163 N 4.90 0.53 0.12 4.11 3.07 -1.95 -3.03 117.51 125.26 3k1a h ILE 163 Ca 0.04 -0.51 -0.01 0.00 1.55 0.00 0.00 64.86 65.94 3k1a h ILE 163 Cb 0.82 1.33 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 3k1a h ILE 163 CO 0.71 0.11 -0.06 -0.33 -1.05 0.00 0.00 178.15 177.53 3k1a h GLU 164 N 0.00 -0.16 -0.58 0.16 3.07 -1.94 0.05 114.58 115.18 3k1a h GLU 164 Ca -0.00 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.91 3k1a h GLU 164 Cb 0.33 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.23 3k1a h GLU 164 CO 0.01 -0.09 0.33 0.77 -1.40 0.00 0.00 179.01 178.63 3k1a h SER 165 N -0.19 0.50 -0.67 1.42 0.02 -1.97 -0.26 113.55 112.41 3k1a h SER 165 Ca -0.02 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3k1a h SER 165 Cb 0.15 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3k1a h SER 165 CO 0.03 0.34 0.27 0.58 -1.14 0.00 0.00 176.83 176.92 3k1a h VAL 166 N 0.63 1.24 -0.40 2.27 2.07 -1.51 -1.04 116.25 119.51 3k1a h VAL 166 Ca 0.25 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 3k1a h VAL 166 Cb 0.10 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3k1a h VAL 166 CO -0.14 0.29 0.07 0.28 0.02 0.00 0.00 177.57 178.09 3k1a h SER 167 N 0.94 0.64 -0.01 0.57 0.02 -0.51 -0.75 113.55 114.45 3k1a h SER 167 Ca 0.22 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3k1a h SER 167 Cb 0.19 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 3k1a h SER 167 CO -0.02 0.73 0.01 0.11 -1.14 0.00 0.00 176.83 176.52 3k1a h LYS 168 N 0.51 0.02 0.37 3.45 1.57 -0.91 0.80 116.57 122.38 3k1a h LYS 168 Ca 0.12 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3k1a h LYS 168 Cb 0.37 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3k1a h LYS 168 CO 0.01 0.17 -0.18 0.28 -0.57 0.00 0.00 179.45 179.16 3k1a h VAL 169 N -0.14 0.64 -0.51 0.50 2.07 -1.20 -1.33 116.25 116.28 3k1a h VAL 169 Ca 0.00 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 3k1a h VAL 169 Cb 0.16 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3k1a h VAL 169 CO -0.00 0.05 -0.11 0.11 0.02 0.00 0.00 177.57 177.65 3k1a h LYS 170 N -0.65 0.96 -0.78 1.57 1.79 -1.19 -0.66 116.57 117.60 3k1a h LYS 170 Ca -0.05 -0.34 0.02 0.00 -2.18 0.00 0.00 60.65 58.10 3k1a h LYS 170 Cb 0.47 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.01 3k1a h LYS 170 CO 0.08 1.01 0.51 0.78 -1.08 0.00 0.00 179.45 180.75 3k1a h GLY 171 N 0.95 1.12 1.26 3.86 0.00 -0.85 -0.90 103.07 108.51 3k1a h GLY 171 Ca 0.14 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 46.90 3k1a h GLY 171 CO 0.05 0.35 -0.54 0.00 0.00 0.00 0.00 176.54 176.39 3k1a h ALA 172 N 1.31 0.55 -0.31 3.60 0.00 -0.98 -0.13 119.26 123.30 3k1a h ALA 172 Ca 0.30 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3k1a h ALA 172 Cb -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3k1a h ALA 172 CO -0.09 0.68 0.13 1.49 0.00 0.00 0.00 179.25 181.46 3k1a h GLU 173 N 0.59 0.46 -0.14 0.00 4.81 -0.95 -3.25 114.58 116.10 3k1a h GLU 173 Ca 0.01 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3k1a h GLU 173 Cb 1.13 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3k1a h GLU 173 CO 0.12 0.46 0.00 1.28 -0.73 0.00 0.00 179.01 180.13 3k1a n LEU 174 N -4.74 2.73 -3.90 1.64 4.77 -0.36 -4.95 117.00 112.19 3k1a n LEU 174 Ca -0.02 -1.01 -0.31 0.00 -0.03 0.00 0.00 56.01 54.64 3k1a n LEU 174 Cb 0.13 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 3k1a n LEU 174 CO 0.36 0.51 0.06 -1.20 -1.33 0.00 0.00 177.39 175.78 3k1a n SER 175 N 1.08 -4.37 -4.48 -1.43 7.64 -0.19 -4.97 113.62 106.90 3k1a n SER 175 Ca 0.17 -0.77 -0.30 0.00 1.01 0.00 0.00 58.87 58.97 3k1a n SER 175 Cb 0.53 -3.52 -0.12 0.00 -1.01 0.00 0.00 64.21 60.09 3k1a n SER 175 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3k1a s LYS 176 N -6.60 1.88 -0.37 1.43 -0.14 -0.44 -5.03 119.74 110.46 3k1a s LYS 176 Ca 0.65 -1.11 -0.29 0.00 -1.36 0.00 0.00 55.97 53.86 3k1a s LYS 176 Cb -0.33 -2.14 0.02 0.00 -1.68 0.00 0.00 37.83 33.69 3k1a s LYS 176 CO 0.80 0.50 1.18 0.99 -0.76 0.00 0.00 175.35 178.07 3k1a s THR 177 N -1.07 4.26 -0.19 2.17 2.01 -1.26 -4.41 115.64 117.16 3k1a s THR 177 Ca 0.17 1.38 0.01 0.00 0.31 0.00 0.00 61.69 63.56 3k1a s THR 177 Cb -0.11 -4.39 0.03 0.00 0.01 0.00 0.00 72.50 68.04 3k1a s THR 177 CO 0.08 -0.68 -0.18 -0.63 -0.69 0.00 0.00 174.62 172.53 3k1a s ILE 178 N 4.27 2.01 -0.37 1.82 1.01 -1.26 -0.75 121.20 127.92 3k1a s ILE 178 Ca 0.50 -1.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 3k1a s ILE 178 Cb -0.12 -1.87 0.05 0.00 0.01 0.00 0.00 42.46 40.53 3k1a s ILE 178 CO 0.24 0.44 0.18 -0.69 0.00 0.00 0.00 174.94 175.12 3k1a s VAL 179 N 1.29 4.09 -0.05 2.92 1.01 0.43 -4.77 120.40 125.33 3k1a s VAL 179 Ca 0.03 -1.19 -0.30 0.00 0.00 0.00 0.00 61.98 60.52 3k1a s VAL 179 Cb -0.14 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 3k1a s VAL 179 CO -0.12 -0.31 1.01 -2.16 0.00 0.00 0.00 175.10 173.52 3k1a s PRO 180 N 1.43 4.48 -0.19 2.72 0.04 -1.26 -0.43 135.00 141.79 3k1a s PRO 180 Ca 0.01 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.49 3k1a s PRO 180 Cb -0.21 -3.50 0.05 0.00 0.04 0.00 0.00 34.50 30.88 3k1a s PRO 180 CO 0.03 -0.20 -0.08 0.08 0.04 0.00 0.00 177.00 176.88 3k1a s VAL 181 N 1.52 1.45 -1.32 -0.36 1.01 -0.53 -4.94 120.40 117.23 3k1a s VAL 181 Ca 0.51 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 3k1a s VAL 181 Cb -0.20 -1.59 0.14 0.00 0.00 0.00 0.00 36.38 34.72 3k1a s VAL 181 CO 0.23 0.11 2.05 0.54 0.00 0.00 0.00 175.10 178.02 3k1a n ARG 182 N 4.74 3.76 -1.07 2.72 5.12 -1.26 -1.81 116.66 128.86 3k1a n ARG 182 Ca -0.13 -3.39 -0.16 0.00 -1.93 0.00 0.00 57.85 52.23 3k1a n ARG 182 Cb 0.46 -2.89 0.19 0.00 -1.16 0.00 0.00 32.46 29.07 3k1a n ARG 182 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3k1a n GLU 184 N -1.12 1.45 0.28 0.00 4.71 -1.18 -1.15 120.64 123.64 3k1a n GLU 184 Ca 0.50 0.51 0.14 0.00 -0.01 0.00 0.00 57.16 58.29 3k1a n GLU 184 Cb 1.44 -1.91 0.84 0.00 -1.01 0.00 0.00 31.44 30.79 3k1a n GLU 184 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 3k1a h GLY 185 N 2.12 0.00 2.00 0.62 0.00 -1.85 -1.92 103.07 104.04 3k1a h GLY 185 Ca -0.40 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3k1a h GLY 185 CO 0.61 0.00 -0.03 0.27 0.00 0.00 0.00 176.54 177.39 3k1a h PHE 186 N 0.00 0.00 -3.92 5.60 -5.15 -1.90 -3.37 116.94 108.20 3k1a h PHE 186 Ca -0.00 0.00 -0.50 0.00 -0.20 0.00 0.00 57.97 57.27 3k1a h PHE 186 Cb 0.08 0.00 0.03 0.00 0.22 0.00 0.00 35.95 36.28 3k1a h PHE 186 CO 0.00 0.03 0.47 1.03 -2.00 0.00 0.00 178.31 177.84 3k1a s ARG 187 N -3.63 4.23 2.90 6.09 0.52 -0.72 -4.84 118.95 123.50 3k1a s ARG 187 Ca 0.02 1.73 0.00 0.00 -0.52 0.00 0.00 55.73 56.95 3k1a s ARG 187 Cb 0.09 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.81 3k1a s ARG 187 CO 0.57 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 176.16 3k1a n GLY 188 N 0.67 0.00 0.00 -3.53 0.00 -1.26 -4.36 105.19 96.71 3k1a n GLY 188 Ca 0.03 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3k1a n GLY 188 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3k1a n VAL 189 N 0.00 0.15 -3.90 1.61 0.24 -1.26 -5.03 118.33 110.13 3k1a n VAL 189 Ca 0.00 -0.35 0.01 0.00 -2.04 0.00 0.00 64.34 61.96 3k1a n VAL 189 Cb 0.00 1.26 0.01 0.00 -1.47 0.00 0.00 33.84 33.63 3k1a n VAL 189 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3k1a n SER 190 N -0.07 -0.58 0.23 -1.34 3.41 -1.26 -4.68 113.62 109.32 3k1a n SER 190 Ca 0.00 -1.14 0.18 0.00 -0.26 0.00 0.00 58.87 57.65 3k1a n SER 190 Cb 0.18 0.91 0.85 0.00 -0.26 0.00 0.00 64.21 65.89 3k1a n SER 190 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3k1a h GLN 191 N 0.00 0.00 -0.40 4.33 7.50 -1.60 -2.98 115.11 121.97 3k1a h GLN 191 Ca -0.10 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.03 3k1a h GLN 191 Cb 0.55 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.07 3k1a h GLN 191 CO 0.15 0.00 0.19 1.03 -1.50 0.00 0.00 178.83 178.70 3k1a h SER 192 N 0.00 0.52 0.12 1.46 0.87 -1.85 -2.24 113.55 112.42 3k1a h SER 192 Ca 0.08 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 3k1a h SER 192 Cb 0.61 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 3k1a h SER 192 CO -0.00 0.50 -0.18 0.25 -0.53 0.00 0.00 176.83 176.88 3k1a h LEU 193 N 0.50 0.12 -0.67 2.23 5.85 -1.92 -2.45 115.31 118.98 3k1a h LEU 193 Ca 0.14 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.90 3k1a h LEU 193 Cb 0.12 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 3k1a h LEU 193 CO -0.02 0.31 0.36 1.23 -0.34 0.00 0.00 178.44 179.98 3k1a h GLY 194 N 0.71 0.98 0.48 3.75 0.00 -1.55 0.81 103.07 108.25 3k1a h GLY 194 Ca 0.02 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.14 3k1a h GLY 194 CO 0.03 0.12 -0.24 0.45 0.00 0.00 0.00 176.54 176.90 3k1a h HIS 195 N 0.64 -0.65 0.21 5.60 3.86 -1.25 0.15 115.15 123.71 3k1a h HIS 195 Ca 0.31 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.55 3k1a h HIS 195 Cb 0.23 0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 3k1a h HIS 195 CO -0.09 -0.33 -0.29 1.25 0.86 0.00 0.00 177.93 179.32 3k1a h HIS 196 N -0.39 -0.79 -0.68 2.45 6.17 -1.31 0.53 115.15 121.13 3k1a h HIS 196 Ca 0.05 0.01 0.11 0.00 0.71 0.00 0.00 60.37 61.26 3k1a h HIS 196 Cb 0.46 0.32 -0.08 0.00 2.52 0.00 0.00 27.41 30.63 3k1a h HIS 196 CO -0.27 -0.41 0.28 0.82 0.71 0.00 0.00 177.93 179.06 3k1a h ILE 197 N -0.56 0.74 -0.40 6.26 2.04 -0.80 -0.80 117.51 123.99 3k1a h ILE 197 Ca 0.01 -0.16 -0.12 0.00 1.00 0.00 0.00 64.86 65.59 3k1a h ILE 197 Cb 0.55 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3k1a h ILE 197 CO -0.12 0.08 -0.23 0.00 0.00 0.00 0.00 178.15 177.89 3k1a h ALA 198 N 1.47 0.85 -0.46 1.87 0.00 0.04 -0.83 119.26 122.19 3k1a h ALA 198 Ca 0.35 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3k1a h ALA 198 Cb 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3k1a h ALA 198 CO -0.34 0.64 0.21 -0.91 0.00 0.00 0.00 179.25 178.85 3k1a h ASN 199 N 0.69 0.61 0.41 0.00 -0.26 0.65 -1.87 115.58 115.80 3k1a h ASN 199 Ca 0.09 -0.14 -0.07 0.00 -0.56 0.00 0.00 56.30 55.62 3k1a h ASN 199 Cb 0.75 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.84 3k1a h ASN 199 CO 0.06 0.57 -0.36 0.44 -1.06 0.00 0.00 177.43 177.09 3k1a h ASP 200 N 0.60 0.00 -0.36 5.81 5.19 -1.06 -1.62 116.42 124.97 3k1a h ASP 200 Ca 0.16 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.52 3k1a h ASP 200 Cb 0.13 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3k1a h ASP 200 CO -0.02 0.36 0.04 0.00 -3.12 0.00 0.00 179.24 176.50 3k1a h ALA 201 N 1.64 0.48 -0.64 3.45 0.00 -0.82 -0.57 119.26 122.80 3k1a h ALA 201 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3k1a h ALA 201 Cb 0.65 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3k1a h ALA 201 CO 0.05 0.20 0.32 0.28 0.00 0.00 0.00 179.25 180.10 3k1a h VAL 202 N 0.43 1.21 -0.12 0.00 2.07 -1.13 -2.17 116.25 116.55 3k1a h VAL 202 Ca 0.11 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3k1a h VAL 202 Cb 0.38 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3k1a h VAL 202 CO 0.01 0.24 0.08 -0.09 0.02 0.00 0.00 177.57 177.83 3k1a h ARG 203 N 0.88 0.16 0.01 1.57 1.12 -1.11 0.31 114.38 117.31 3k1a h ARG 203 Ca 0.22 -0.01 -0.19 0.00 -1.11 0.00 0.00 59.98 58.89 3k1a h ARG 203 Cb 0.09 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 29.99 3k1a h ARG 203 CO -0.03 0.11 -0.89 -0.44 -3.11 0.00 0.00 179.97 175.61 3k1a h ASP 204 N 0.15 0.05 0.00 -3.80 3.32 -1.07 -3.38 116.42 111.69 3k1a h ASP 204 Ca 0.04 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3k1a h ASP 204 Cb -0.01 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3k1a h ASP 204 CO -0.01 0.92 -0.35 0.79 -1.72 0.00 0.00 179.24 178.87 3k1a n TRP 205 N -3.52 0.00 0.03 4.55 7.02 -0.82 -4.92 117.44 119.77 3k1a n TRP 205 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 3k1a n TRP 205 Cb 0.84 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.72 3k1a n TRP 205 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3k1a n VAL 206 N -1.18 0.16 0.24 -0.99 0.31 -0.64 -4.92 118.33 111.31 3k1a n VAL 206 Ca 0.00 0.05 0.07 0.00 -0.01 0.00 0.00 64.34 64.45 3k1a n VAL 206 Cb 0.02 -0.99 0.58 0.00 -0.91 0.00 0.00 33.84 32.54 3k1a n VAL 206 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3k1a h LEU 207 N 0.00 0.00 -1.68 7.52 5.85 -0.59 -2.66 115.31 123.74 3k1a h LEU 207 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3k1a h LEU 207 Cb 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3k1a h LEU 207 CO 0.00 0.12 0.00 0.61 -0.34 0.00 0.00 178.44 178.83 3k1a n GLY 208 N -1.16 1.13 0.28 3.75 0.00 -1.26 -4.46 105.19 103.47 3k1a n GLY 208 Ca -0.03 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.44 3k1a n GLY 208 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3k1a h LYS 209 N 2.71 0.76 -0.51 1.61 3.64 -1.82 -2.96 116.57 119.99 3k1a h LYS 209 Ca 0.00 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.05 3k1a h LYS 209 Cb 0.62 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 3k1a h LYS 209 CO 0.00 0.82 0.09 0.54 -2.27 0.00 0.00 179.45 178.63 3k1a n ARG 210 N -4.18 3.54 -0.25 1.90 5.12 -1.26 -4.56 116.66 116.96 3k1a n ARG 210 Ca 0.02 -3.04 0.04 0.00 -1.93 0.00 0.00 57.85 52.94 3k1a n ARG 210 Cb 0.34 -2.07 0.17 0.00 -1.16 0.00 0.00 32.46 29.74 3k1a n ARG 210 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3k1a h ASP 211 N 2.51 0.25 1.44 0.55 3.32 -1.80 -2.19 116.42 120.49 3k1a h ASP 211 Ca 0.12 0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 3k1a h ASP 211 Cb 1.91 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 41.54 3k1a h ASP 211 CO 0.49 0.10 -0.58 1.05 -1.72 0.00 0.00 179.24 178.58 3k1a h GLU 212 N 0.43 0.00 -6.12 3.56 4.11 -1.84 -3.46 114.58 111.26 3k1a h GLU 212 Ca 0.40 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 59.26 3k1a h GLU 212 Cb 0.60 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 3k1a h GLU 212 CO -0.40 0.39 0.84 0.34 0.07 0.00 0.00 179.01 180.26 3k1a s ASP 213 N -6.30 7.03 -0.08 3.06 -1.08 -0.83 -4.90 116.67 113.58 3k1a s ASP 213 Ca 0.03 1.53 0.11 0.00 -0.52 0.00 0.00 52.55 53.71 3k1a s ASP 213 Cb 0.07 -2.54 0.25 0.00 -1.46 0.00 0.00 42.92 39.24 3k1a s ASP 213 CO 0.75 -0.71 1.17 0.35 0.52 0.00 0.00 175.17 177.25 3k1a n THR 214 N 5.33 1.55 0.19 1.71 -2.24 -1.26 -4.70 114.28 114.87 3k1a n THR 214 Ca 0.13 -1.61 0.06 0.00 -2.27 0.00 0.00 64.05 60.35 3k1a n THR 214 Cb 0.45 0.10 0.36 0.00 -2.10 0.00 0.00 70.33 69.14 3k1a n THR 214 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3k1a h THR 215 N 0.66 0.91 -2.65 4.28 1.35 -1.97 -3.43 112.91 112.06 3k1a h THR 215 Ca 0.00 -1.46 -0.56 0.00 -0.55 0.00 0.00 66.41 63.85 3k1a h THR 215 Cb 0.89 1.88 -0.02 0.00 -1.73 0.00 0.00 68.15 69.17 3k1a h THR 215 CO 0.04 0.36 1.12 0.12 -0.25 0.00 0.00 175.52 176.91 3k1a s PHE 216 N -3.69 2.01 -0.45 4.73 5.36 -1.26 -4.95 117.98 119.73 3k1a s PHE 216 Ca -0.00 0.37 -0.29 0.00 -0.96 0.00 0.00 56.93 56.04 3k1a s PHE 216 Cb 0.11 -3.93 0.02 0.00 -0.34 0.00 0.00 43.02 38.89 3k1a s PHE 216 CO 0.68 -3.45 1.19 0.00 -1.46 0.00 0.00 175.22 172.19 3k1a s ALA 217 N 4.66 3.17 0.39 11.12 0.00 -1.26 -5.02 121.76 134.81 3k1a s ALA 217 Ca 0.73 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 3k1a s ALA 217 Cb -0.30 -3.88 -0.07 0.00 0.00 0.00 0.00 23.12 18.87 3k1a s ALA 217 CO 0.29 -2.21 0.75 -1.54 0.00 0.00 0.00 175.76 173.05 3k1a s SER 218 N 2.69 6.55 0.24 0.00 1.04 -1.26 -5.11 113.70 117.85 3k1a s SER 218 Ca 0.51 1.13 0.10 0.00 0.48 0.00 0.00 55.95 58.17 3k1a s SER 218 Cb -0.09 -2.32 -0.05 0.00 0.10 0.00 0.00 66.02 63.66 3k1a s SER 218 CO 0.30 -0.36 -0.18 0.42 0.98 0.00 0.00 173.24 174.41 3k1a s THR 219 N -2.30 2.14 -0.88 2.02 -4.23 -1.26 -5.04 115.64 106.10 3k1a s THR 219 Ca 0.51 -2.29 0.10 0.00 -1.18 0.00 0.00 61.69 58.83 3k1a s THR 219 Cb -0.10 -2.16 0.09 0.00 1.34 0.00 0.00 72.50 71.66 3k1a s THR 219 CO 0.29 -0.47 1.32 -0.81 -0.54 0.00 0.00 174.62 174.42 3k1a n PRO 220 N -0.44 0.03 -0.64 3.99 -0.04 -1.26 -2.74 135.00 133.90 3k1a n PRO 220 Ca -0.07 0.40 0.04 0.00 -0.04 0.00 0.00 63.50 63.83 3k1a n PRO 220 Cb 0.60 -1.58 0.27 0.00 -0.04 0.00 0.00 33.50 32.75 3k1a n PRO 220 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3k1a n TYR 221 N -1.64 1.31 -2.68 0.54 4.01 -1.26 -4.92 117.16 112.53 3k1a n TYR 221 Ca 0.02 -1.04 -0.41 0.00 -0.16 0.00 0.00 57.90 56.31 3k1a n TYR 221 Cb 0.10 -0.42 -0.05 0.00 -0.31 0.00 0.00 39.34 38.65 3k1a n TYR 221 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3k1a s ASP 222 N -1.80 7.47 0.13 7.72 1.01 -1.11 -0.65 116.67 129.44 3k1a s ASP 222 Ca 0.46 1.92 -0.08 0.00 0.71 0.00 0.00 52.55 55.56 3k1a s ASP 222 Cb 0.38 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 3k1a s ASP 222 CO 0.09 -0.05 0.21 0.54 0.21 0.00 0.00 175.17 176.17 3k1a s VAL 223 N -0.39 0.11 -0.03 -1.27 0.11 -0.32 -1.57 120.40 117.04 3k1a s VAL 223 Ca 0.46 -1.36 0.01 0.00 -2.93 0.00 0.00 61.98 58.16 3k1a s VAL 223 Cb -0.26 -1.63 0.02 0.00 -1.53 0.00 0.00 36.38 32.98 3k1a s VAL 223 CO 0.32 -0.48 -0.02 0.00 -3.33 0.00 0.00 175.10 171.59 3k1a s ALA 224 N -3.93 0.41 -0.49 1.54 0.00 -0.94 -0.41 121.76 117.94 3k1a s ALA 224 Ca 0.12 0.05 -0.24 0.00 0.00 0.00 0.00 51.96 51.89 3k1a s ALA 224 Cb 0.04 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.90 3k1a s ALA 224 CO -0.05 -0.02 0.87 0.42 0.00 0.00 0.00 175.76 176.98 3k1a s ILE 225 N 0.77 4.52 -0.23 0.00 1.01 -0.33 0.07 121.20 127.00 3k1a s ILE 225 Ca -0.08 0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.88 3k1a s ILE 225 Cb -0.12 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 3k1a s ILE 225 CO -0.01 -0.90 0.10 -0.63 0.00 0.00 0.00 174.94 173.50 3k1a s ILE 226 N 3.61 4.73 -0.08 2.92 -1.09 0.15 -0.71 121.20 130.73 3k1a s ILE 226 Ca 0.31 -0.04 -0.00 0.00 -2.23 0.00 0.00 60.65 58.69 3k1a s ILE 226 Cb -0.12 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 3k1a s ILE 226 CO 0.22 0.36 0.06 0.61 -1.23 0.00 0.00 174.94 174.95 3k1a n GLY 227 N 4.48 0.77 3.13 6.18 0.00 0.80 -0.77 105.19 119.78 3k1a n GLY 227 Ca -0.16 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 3k1a n GLY 227 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k1a s ASP 228 N -3.01 3.60 -0.05 1.61 -1.08 -0.60 -2.08 116.67 115.06 3k1a s ASP 228 Ca 0.03 -0.82 0.20 0.00 -0.52 0.00 0.00 52.55 51.44 3k1a s ASP 228 Cb -0.01 -1.53 0.67 0.00 -1.46 0.00 0.00 42.92 40.59 3k1a s ASP 228 CO 0.04 -0.06 1.57 -1.22 0.52 0.00 0.00 175.17 176.02 3k1a n TYR 229 N 4.59 1.21 -3.65 -5.34 4.01 -1.26 -1.83 117.16 114.88 3k1a n TYR 229 Ca -0.19 -0.53 -0.23 0.00 -0.16 0.00 0.00 57.90 56.79 3k1a n TYR 229 Cb 0.48 -0.12 0.06 0.00 -0.31 0.00 0.00 39.34 39.45 3k1a n TYR 229 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3k1a n ASN 230 N 1.37 -3.57 -4.60 7.72 5.15 -1.26 -3.99 115.26 116.08 3k1a n ASN 230 Ca 0.25 -0.69 -0.43 0.00 -0.60 0.00 0.00 54.58 53.11 3k1a n ASN 230 Cb 0.74 -4.55 -0.02 0.00 -0.53 0.00 0.00 39.78 35.42 3k1a n ASN 230 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3k1a s ILE 231 N -3.42 3.72 -1.29 -1.44 -1.09 -1.25 -1.45 121.20 114.98 3k1a s ILE 231 Ca 0.30 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 3k1a s ILE 231 Cb -0.14 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 3k1a s ILE 231 CO 0.77 -0.64 0.00 0.61 -1.23 0.00 0.00 174.94 174.45 3k1a n GLY 232 N 5.23 1.30 0.20 6.18 0.00 -0.88 -2.90 105.19 114.33 3k1a n GLY 232 Ca 0.19 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3k1a n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1a n GLY 233 N -1.32 0.66 0.33 -0.02 0.00 -0.82 -2.35 105.19 101.67 3k1a n GLY 233 Ca -0.12 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.13 3k1a n GLY 233 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k1a h ASP 234 N 0.00 0.07 -0.11 1.61 3.32 -1.67 0.11 116.42 119.75 3k1a h ASP 234 Ca 0.00 0.25 -0.17 0.00 0.02 0.00 0.00 57.03 57.13 3k1a h ASP 234 Cb 0.00 0.31 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 3k1a h ASP 234 CO 0.00 -0.33 -0.54 0.00 -1.72 0.00 0.00 179.24 176.65 3k1a h ALA 235 N 1.94 0.61 -0.35 3.45 0.00 -1.89 -2.36 119.26 120.66 3k1a h ALA 235 Ca 0.72 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3k1a h ALA 235 Cb 1.70 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 3k1a h ALA 235 CO -0.77 0.68 -0.17 -1.49 0.00 0.00 0.00 179.25 177.50 3k1a h TRP 236 N 0.53 0.72 0.00 0.00 6.55 -1.21 0.22 115.95 122.76 3k1a h TRP 236 Ca 0.01 -0.14 -0.04 0.00 0.95 0.00 0.00 58.89 59.67 3k1a h TRP 236 Cb 1.11 -0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 29.22 3k1a h TRP 236 CO 0.06 0.78 -0.20 0.77 -1.05 0.00 0.00 178.44 178.79 3k1a h SER 237 N 0.58 0.00 0.02 -3.49 0.02 -1.16 -2.81 113.55 106.72 3k1a h SER 237 Ca 0.09 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.89 3k1a h SER 237 Cb 0.62 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 3k1a h SER 237 CO 0.04 0.20 -0.79 0.28 -1.14 0.00 0.00 176.83 175.43 3k1a h SER 238 N 0.00 0.07 -0.82 3.07 0.02 -0.87 -3.38 113.55 111.64 3k1a h SER 238 Ca -0.00 -0.76 0.13 0.00 -0.84 0.00 0.00 61.79 60.32 3k1a h SER 238 Cb 0.46 -0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.89 3k1a h SER 238 CO 0.03 1.32 0.42 -0.09 -1.14 0.00 0.00 176.83 177.37 3k1a h ARG 239 N -0.87 0.62 -0.89 3.45 2.43 -0.59 -2.04 114.38 116.49 3k1a h ARG 239 Ca -0.20 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.00 3k1a h ARG 239 Cb 1.27 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.62 3k1a h ARG 239 CO -0.08 0.41 0.58 0.97 -1.51 0.00 0.00 179.97 180.34 3k1a h ILE 240 N 0.64 1.06 -0.16 1.20 2.10 -1.68 -0.97 117.51 119.70 3k1a h ILE 240 Ca 0.43 -0.34 -0.14 0.00 1.08 0.00 0.00 64.86 65.89 3k1a h ILE 240 Cb 0.56 -0.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.27 3k1a h ILE 240 CO -0.33 0.18 -0.45 -0.07 -1.08 0.00 0.00 178.15 176.40 3k1a h LEU 241 N 0.99 0.66 -0.71 2.19 3.38 -1.55 -1.41 115.31 118.86 3k1a h LEU 241 Ca 0.38 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3k1a h LEU 241 Cb 0.22 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3k1a h LEU 241 CO -0.14 1.13 0.26 -0.07 0.09 0.00 0.00 178.44 179.72 3k1a h LEU 242 N 0.22 1.00 -0.35 1.67 3.38 -1.20 -1.35 115.31 118.67 3k1a h LEU 242 Ca -0.01 -0.18 -0.18 0.00 0.09 0.00 0.00 57.88 57.59 3k1a h LEU 242 Cb 1.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3k1a h LEU 242 CO 0.10 0.91 -0.83 -0.33 0.09 0.00 0.00 178.44 178.38 3k1a h GLU 243 N 1.03 0.15 -0.45 1.13 5.08 -1.21 -1.89 114.58 118.41 3k1a h GLU 243 Ca 0.23 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3k1a h GLU 243 Cb 0.24 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3k1a h GLU 243 CO -0.02 0.89 0.10 0.93 -1.00 0.00 0.00 179.01 179.92 3k1a h GLU 244 N 0.09 0.68 0.00 2.33 5.08 -1.13 -2.56 114.58 119.06 3k1a h GLU 244 Ca -0.03 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3k1a h GLU 244 Cb 1.44 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3k1a h GLU 244 CO 0.12 0.63 0.00 -0.12 -1.00 0.00 0.00 179.01 178.64 3k1a n MET 245 N -4.30 0.18 0.00 2.33 1.56 -0.52 -4.86 117.12 111.51 3k1a n MET 245 Ca 0.03 0.15 0.00 0.00 -0.27 0.00 0.00 57.70 57.61 3k1a n MET 245 Cb 0.21 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.08 3k1a n MET 245 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3k1a n GLY 246 N 0.17 0.60 3.88 -5.12 0.00 -0.96 -4.40 105.19 99.34 3k1a n GLY 246 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 3k1a n GLY 246 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1a s LEU 247 N 0.00 3.20 -0.32 0.99 1.43 -0.73 -4.92 118.68 118.33 3k1a s LEU 247 Ca 0.00 1.32 0.02 0.00 -1.03 0.00 0.00 54.13 54.44 3k1a s LEU 247 Cb 0.00 -4.32 0.08 0.00 0.03 0.00 0.00 46.19 41.98 3k1a s LEU 247 CO 0.00 -0.94 0.02 -0.60 0.23 0.00 0.00 176.35 175.06 3k1a s ARG 248 N -5.18 1.93 -0.66 1.70 3.52 0.17 -4.04 118.95 116.39 3k1a s ARG 248 Ca 0.55 -1.62 -0.27 0.00 -0.13 0.00 0.00 55.73 54.26 3k1a s ARG 248 Cb -0.11 -3.17 0.01 0.00 -1.56 0.00 0.00 34.95 30.12 3k1a s ARG 248 CO 0.53 -0.80 1.50 0.00 -0.81 0.00 0.00 175.30 175.71 3k1a h VAL 250 N 6.38 1.45 -3.33 0.00 2.07 -1.12 -3.47 116.25 118.23 3k1a h VAL 250 Ca -0.27 -2.21 -0.15 0.00 0.82 0.00 0.00 66.70 64.89 3k1a h VAL 250 Cb 1.10 2.18 -0.22 0.00 -1.52 0.00 0.00 31.29 32.82 3k1a h VAL 250 CO 1.24 0.64 -0.45 0.00 0.02 0.00 0.00 177.57 179.02 3k1a s ALA 251 N -3.56 -0.47 -0.22 1.67 0.00 -1.25 -4.79 121.76 113.14 3k1a s ALA 251 Ca -0.02 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.15 3k1a s ALA 251 Cb 0.12 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.23 3k1a s ALA 251 CO 0.78 -0.18 -0.15 -0.65 0.00 0.00 0.00 175.76 175.56 3k1a s GLN 252 N -0.88 2.62 -0.40 0.00 -0.21 -1.26 -1.19 119.66 118.33 3k1a s GLN 252 Ca -0.10 -1.09 -0.10 0.00 0.02 0.00 0.00 55.36 54.10 3k1a s GLN 252 Cb -0.05 -2.74 0.06 0.00 1.00 0.00 0.00 33.01 31.28 3k1a s GLN 252 CO 0.02 -0.39 0.24 -1.58 -2.12 0.00 0.00 175.29 171.45 3k1a s TRP 253 N 1.20 3.30 0.00 0.91 0.52 0.11 -4.11 118.94 120.87 3k1a s TRP 253 Ca -0.02 -1.35 0.00 0.00 0.02 0.00 0.00 56.10 54.75 3k1a s TRP 253 Cb -0.17 -2.78 0.00 0.00 -1.15 0.00 0.00 33.47 29.37 3k1a s TRP 253 CO -0.09 -0.79 0.65 -1.13 0.02 0.00 0.00 176.95 175.62 3k1a n SER 254 N 4.94 1.17 -4.68 2.95 3.41 -1.17 -0.14 113.62 120.11 3k1a n SER 254 Ca -0.11 -1.41 -0.47 0.00 -0.26 0.00 0.00 58.87 56.62 3k1a n SER 254 Cb 0.44 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.34 3k1a n SER 254 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k1a n GLY 255 N -0.20 1.32 2.38 5.00 0.00 -0.76 -0.75 105.19 112.17 3k1a n GLY 255 Ca 0.00 0.77 -0.15 0.00 0.00 0.00 0.00 46.02 46.64 3k1a n GLY 255 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3k1a n ASP 256 N 5.27 -4.47 -4.80 1.61 2.03 -0.91 -4.75 116.55 110.53 3k1a n ASP 256 Ca 0.20 0.17 -0.38 0.00 0.52 0.00 0.00 54.79 55.31 3k1a n ASP 256 Cb 0.29 -3.82 -0.06 0.00 -0.72 0.00 0.00 41.12 36.81 3k1a n ASP 256 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3k1a s GLY 257 N -2.08 2.71 0.32 0.27 0.00 0.07 -4.90 107.32 103.70 3k1a s GLY 257 Ca 0.00 0.16 0.07 0.00 0.00 0.00 0.00 44.72 44.96 3k1a s GLY 257 CO 0.00 0.58 0.32 -1.35 0.00 0.00 0.00 173.10 172.65 3k1a s SER 258 N -1.37 5.55 0.18 1.64 1.04 -1.26 -1.06 113.70 118.41 3k1a s SER 258 Ca 0.37 -0.35 -0.06 0.00 0.48 0.00 0.00 55.95 56.38 3k1a s SER 258 Cb -0.19 -1.16 0.07 0.00 0.10 0.00 0.00 66.02 64.84 3k1a s SER 258 CO 0.22 -0.30 1.51 -0.29 0.98 0.00 0.00 173.24 175.36 3k1a h ILE 259 N 1.20 1.29 -0.63 -1.02 2.10 -1.94 -2.94 117.51 115.57 3k1a h ILE 259 Ca -0.46 -1.63 -0.04 0.00 1.08 0.00 0.00 64.86 63.81 3k1a h ILE 259 Cb 1.25 1.54 -0.03 0.00 -1.09 0.00 0.00 36.82 38.50 3k1a h ILE 259 CO 0.58 0.53 0.24 0.77 -1.08 0.00 0.00 178.15 179.18 3k1a h SER 260 N 0.59 0.85 -0.60 2.19 4.64 -1.96 -0.49 113.55 118.77 3k1a h SER 260 Ca 0.04 -0.12 0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3k1a h SER 260 Cb 1.00 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.83 3k1a h SER 260 CO 0.10 0.78 0.34 -0.33 -0.87 0.00 0.00 176.83 176.84 3k1a h GLU 261 N 0.91 0.64 -0.23 4.77 5.08 -1.85 0.10 114.58 124.01 3k1a h GLU 261 Ca 0.21 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3k1a h GLU 261 Cb 0.20 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3k1a h GLU 261 CO -0.02 0.42 0.05 0.82 -1.00 0.00 0.00 179.01 179.28 3k1a h ILE 262 N 0.66 1.22 0.00 3.13 2.04 -1.27 -2.55 117.51 120.74 3k1a h ILE 262 Ca 0.26 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 3k1a h ILE 262 Cb 0.10 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3k1a h ILE 262 CO -0.14 0.23 -0.05 -0.33 0.00 0.00 0.00 178.15 177.86 3k1a h GLU 263 N 0.19 0.00 0.00 2.37 5.08 -0.80 -2.44 114.58 118.97 3k1a h GLU 263 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3k1a h GLU 263 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3k1a h GLU 263 CO 0.00 0.05 -0.38 -0.07 -1.00 0.00 0.00 179.01 177.60 3k1a h LEU 264 N 0.00 0.00 -0.86 1.33 4.07 -0.52 -3.40 115.31 115.93 3k1a h LEU 264 Ca -0.00 -0.01 0.11 0.00 0.08 0.00 0.00 57.88 58.06 3k1a h LEU 264 Cb 0.13 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.80 3k1a h LEU 264 CO 0.01 0.01 0.49 0.74 -1.08 0.00 0.00 178.44 178.60 3k1a h THR 265 N 0.00 0.87 0.00 0.22 2.02 -1.03 -0.31 112.91 114.69 3k1a h THR 265 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3k1a h THR 265 Cb 0.97 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3k1a h THR 265 CO 0.00 0.14 0.00 -2.65 0.37 0.00 0.00 175.52 173.38 3k1a n PRO 266 N -4.75 0.03 0.00 6.66 -0.02 -1.26 -1.43 135.00 134.22 3k1a n PRO 266 Ca 0.15 0.32 0.13 0.00 -2.02 0.00 0.00 63.50 62.08 3k1a n PRO 266 Cb 0.32 -1.50 0.36 0.00 -0.02 0.00 0.00 33.50 32.66 3k1a n PRO 266 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3k1a n LYS 267 N -1.35 0.27 -1.78 -0.52 4.76 -0.12 -4.97 118.16 114.44 3k1a n LYS 267 Ca 0.01 -0.14 -0.29 0.00 -2.87 0.00 0.00 58.31 55.02 3k1a n LYS 267 Cb 0.02 -1.50 0.10 0.00 -1.84 0.00 0.00 35.03 31.82 3k1a n LYS 267 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3k1a s VAL 268 N -2.83 2.18 -0.14 -0.18 -7.23 -0.52 -4.94 120.40 106.75 3k1a s VAL 268 Ca 0.16 0.06 0.17 0.00 -1.81 0.00 0.00 61.98 60.57 3k1a s VAL 268 Cb 0.18 -2.98 -0.24 0.00 0.56 0.00 0.00 36.38 33.91 3k1a s VAL 268 CO 0.62 -0.08 0.36 0.29 -0.31 0.00 0.00 175.10 175.98 3k1a n LYS 269 N -3.42 0.66 -3.70 4.82 4.76 -0.61 -4.92 118.16 115.75 3k1a n LYS 269 Ca 0.07 0.05 -0.11 0.00 -2.87 0.00 0.00 58.31 55.46 3k1a n LYS 269 Cb 0.60 -1.62 -0.11 0.00 -1.84 0.00 0.00 35.03 32.07 3k1a n LYS 269 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3k1a s LEU 270 N -5.50 0.02 -0.31 -0.35 2.96 -1.19 -4.22 118.68 110.08 3k1a s LEU 270 Ca -0.08 0.86 -0.15 0.00 -0.22 0.00 0.00 54.13 54.55 3k1a s LEU 270 Cb 0.08 1.33 -0.03 0.00 0.50 0.00 0.00 46.19 48.07 3k1a s LEU 270 CO 0.84 -0.18 0.37 0.20 -1.32 0.00 0.00 176.35 176.25 3k1a s ASN 271 N 1.20 6.21 -0.52 3.68 0.02 -0.34 -2.20 114.94 122.99 3k1a s ASN 271 Ca -0.08 0.04 -0.19 0.00 -1.02 0.00 0.00 52.86 51.61 3k1a s ASN 271 Cb -0.08 -2.20 0.07 0.00 0.02 0.00 0.00 41.25 39.06 3k1a s ASN 271 CO -0.10 -0.26 0.64 -0.76 0.02 0.00 0.00 177.10 176.64 3k1a s LEU 272 N 2.06 5.05 -0.31 0.60 1.43 0.11 -1.48 118.68 126.14 3k1a s LEU 272 Ca 0.14 -1.02 -0.18 0.00 -1.03 0.00 0.00 54.13 52.04 3k1a s LEU 272 Cb -0.16 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 3k1a s LEU 272 CO 0.11 -0.94 0.52 -0.69 0.23 0.00 0.00 176.35 175.58 3k1a s VAL 273 N 2.65 5.03 -0.04 -1.59 1.01 -0.06 0.33 120.40 127.73 3k1a s VAL 273 Ca 0.14 0.63 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 3k1a s VAL 273 Cb -0.20 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 3k1a s VAL 273 CO 0.11 -0.07 -0.05 -0.74 0.00 0.00 0.00 175.10 174.35 3k1a h HIS 274 N 8.24 0.00 -2.53 5.22 2.76 -1.17 -0.58 115.15 127.09 3k1a h HIS 274 Ca -0.28 0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.31 3k1a h HIS 274 Cb 1.13 0.00 -0.10 0.00 1.55 0.00 0.00 27.41 29.99 3k1a h HIS 274 CO 0.74 0.00 0.86 0.00 -1.30 0.00 0.00 177.93 178.24 3k1a h TYR 276 N 9.82 -0.02 -0.47 0.00 3.20 -1.90 -3.05 116.97 124.54 3k1a h TYR 276 Ca -0.28 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.68 3k1a h TYR 276 Cb 1.06 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 39.26 3k1a h TYR 276 CO 1.06 0.22 -0.01 -0.09 -1.64 0.00 0.00 178.16 177.71 3k1a h ARG 277 N -0.27 0.10 0.00 1.82 9.65 -1.90 0.83 114.38 124.62 3k1a h ARG 277 Ca -0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3k1a h ARG 277 Cb 0.26 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 3k1a h ARG 277 CO 0.00 0.07 -0.32 0.66 2.80 0.00 0.00 179.97 183.18 3k1a h SER 278 N 0.10 0.00 0.00 -3.80 4.64 -1.93 -3.39 113.55 109.18 3k1a h SER 278 Ca 0.24 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3k1a h SER 278 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3k1a h SER 278 CO -0.40 0.02 0.00 0.23 -0.87 0.00 0.00 176.83 175.81 3k1a n MET 279 N -2.61 0.72 0.24 4.77 2.81 -1.00 -4.71 117.12 117.34 3k1a n MET 279 Ca 0.03 -0.71 0.11 0.00 -1.81 0.00 0.00 57.70 55.32 3k1a n MET 279 Cb 0.49 -0.64 0.60 0.00 -0.71 0.00 0.00 33.22 32.96 3k1a n MET 279 CO 0.00 0.00 0.00 -2.95 1.51 0.00 0.00 175.97 174.53 3k1a h ASN 280 N 0.00 0.00 0.15 7.83 7.08 -1.04 -2.84 115.58 126.76 3k1a h ASN 280 Ca 0.00 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.21 3k1a h ASN 280 Cb 0.80 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.04 3k1a h ASN 280 CO 0.00 0.18 -0.07 1.88 -2.08 0.00 0.00 177.43 177.34 3k1a h TYR 281 N 0.00 -0.18 0.00 4.14 0.05 -1.87 -1.54 116.97 117.57 3k1a h TYR 281 Ca -0.00 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 3k1a h TYR 281 Cb 0.51 0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.30 3k1a h TYR 281 CO 0.00 0.23 -0.42 0.97 -1.05 0.00 0.00 178.16 177.89 3k1a h ILE 282 N -0.67 1.15 -0.35 -2.88 6.09 -1.87 -1.86 117.51 117.12 3k1a h ILE 282 Ca -0.02 -1.52 -0.09 0.00 -1.37 0.00 0.00 64.86 61.86 3k1a h ILE 282 Cb 0.50 1.85 -0.01 0.00 0.47 0.00 0.00 36.82 39.63 3k1a h ILE 282 CO 0.03 0.41 -0.14 0.28 -3.07 0.00 0.00 178.15 175.66 3k1a h SER 283 N 0.00 0.73 -0.28 2.19 0.02 -1.48 -1.82 113.55 112.91 3k1a h SER 283 Ca -0.00 -0.39 -0.10 0.00 -0.84 0.00 0.00 61.79 60.46 3k1a h SER 283 Cb 0.82 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 3k1a h SER 283 CO 0.05 0.96 -0.15 0.03 -1.14 0.00 0.00 176.83 176.59 3k1a h ARG 284 N 0.50 0.72 -0.34 3.45 3.08 -1.12 -2.60 114.38 118.06 3k1a h ARG 284 Ca 0.08 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.89 3k1a h ARG 284 Cb 0.67 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 3k1a h ARG 284 CO 0.05 0.83 0.21 1.25 -1.07 0.00 0.00 179.97 181.24 3k1a h HIS 285 N 0.65 0.40 0.00 3.04 2.76 -1.24 -2.08 115.15 118.67 3k1a h HIS 285 Ca 0.11 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.23 3k1a h HIS 285 Cb 0.61 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 3k1a h HIS 285 CO 0.03 0.24 -0.28 0.52 -1.30 0.00 0.00 177.93 177.14 3k1a h MET 286 N 0.43 0.00 -0.28 5.26 2.86 -1.18 0.11 114.93 122.13 3k1a h MET 286 Ca 0.13 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.62 3k1a h MET 286 Cb -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 3k1a h MET 286 CO -0.05 0.28 -0.41 1.49 1.06 0.00 0.00 176.91 179.28 3k1a h GLU 287 N 0.00 0.77 0.58 1.72 4.81 -1.25 -1.29 114.58 119.92 3k1a h GLU 287 Ca -0.00 -0.46 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 3k1a h GLU 287 Cb 0.58 0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.01 3k1a h GLU 287 CO 0.04 1.08 -0.28 0.93 -0.73 0.00 0.00 179.01 180.05 3k1a h GLU 288 N 0.52 -0.75 0.02 1.92 4.39 -0.66 -1.86 114.58 118.16 3k1a h GLU 288 Ca 0.03 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3k1a h GLU 288 Cb 1.01 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3k1a h GLU 288 CO 0.10 -0.44 -0.01 -0.22 -1.16 0.00 0.00 179.01 177.27 3k1a h LYS 289 N -1.03 -0.02 -0.00 2.33 3.64 -0.93 -3.37 116.57 117.19 3k1a h LYS 289 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3k1a h LYS 289 Cb 0.66 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3k1a h LYS 289 CO 0.13 0.58 -0.82 0.66 -2.27 0.00 0.00 179.45 177.73 3k1a n TYR 290 N -4.80 0.00 -1.09 1.91 4.01 -0.55 -4.98 117.16 111.65 3k1a n TYR 290 Ca -0.09 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.62 3k1a n TYR 290 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.32 3k1a n TYR 290 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k1a n GLY 291 N 1.42 0.63 3.63 2.72 0.00 -0.70 -4.97 105.19 107.92 3k1a n GLY 291 Ca 0.04 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 3k1a n GLY 291 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k1a s ILE 292 N -2.04 4.66 0.59 -0.61 1.01 -1.03 -4.91 121.20 118.86 3k1a s ILE 292 Ca 0.00 1.57 -0.18 0.00 0.00 0.00 0.00 60.65 62.04 3k1a s ILE 292 Cb 0.00 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 3k1a s ILE 292 CO 0.00 -0.33 1.12 -2.16 0.00 0.00 0.00 174.94 173.57 3k1a s PRO 293 N 3.28 3.15 0.06 2.79 0.04 -1.26 -3.46 135.00 139.61 3k1a s PRO 293 Ca 0.40 1.51 0.04 0.00 0.04 0.00 0.00 61.00 62.99 3k1a s PRO 293 Cb -0.13 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 3k1a s PRO 293 CO 0.12 -0.99 -0.12 1.67 0.04 0.00 0.00 177.00 177.73 3k1a s TRP 294 N -2.01 1.00 -0.02 0.56 1.48 -1.26 -1.20 118.94 117.49 3k1a s TRP 294 Ca 0.70 -0.49 -0.02 0.00 -1.06 0.00 0.00 56.10 55.24 3k1a s TRP 294 Cb -0.22 -0.57 0.01 0.00 -1.16 0.00 0.00 33.47 31.52 3k1a s TRP 294 CO 0.33 0.00 0.06 0.00 -4.06 0.00 0.00 176.95 173.28 3k1a s MET 295 N -1.74 0.07 0.36 3.25 0.23 -0.55 -4.96 119.30 115.96 3k1a s MET 295 Ca -0.05 0.11 -0.25 0.00 -1.03 0.00 0.00 55.69 54.47 3k1a s MET 295 Cb -0.10 0.01 -0.09 0.00 -1.53 0.00 0.00 34.83 33.12 3k1a s MET 295 CO 0.01 -0.03 1.01 -1.21 -2.03 0.00 0.00 175.02 172.78 3k1a s GLU 296 N 0.15 4.37 0.30 3.16 2.02 -1.26 -0.88 118.70 126.56 3k1a s GLU 296 Ca -0.01 1.45 0.04 0.00 0.02 0.00 0.00 54.97 56.47 3k1a s GLU 296 Cb -0.02 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.50 3k1a s GLU 296 CO -0.00 0.06 0.26 1.52 0.02 0.00 0.00 175.26 177.12 3k1a s TYR 297 N -1.62 1.51 -0.13 1.61 1.13 -0.23 -4.89 117.35 114.74 3k1a s TYR 297 Ca 0.54 -1.54 -0.05 0.00 -1.41 0.00 0.00 57.07 54.61 3k1a s TYR 297 Cb -0.21 -0.60 0.06 0.00 -1.10 0.00 0.00 41.96 40.11 3k1a s TYR 297 CO 0.27 -0.84 0.27 1.21 -2.51 0.00 0.00 175.55 173.95 3k1a s ASN 298 N -3.30 0.15 -0.25 -0.18 3.84 -1.26 -4.57 114.94 109.38 3k1a s ASN 298 Ca 0.39 0.60 0.10 0.00 0.21 0.00 0.00 52.86 54.17 3k1a s ASN 298 Cb 0.03 0.66 0.46 0.00 -0.55 0.00 0.00 41.25 41.86 3k1a s ASN 298 CO 0.23 -0.22 1.35 0.49 -2.79 0.00 0.00 177.10 176.16 3k1a n PHE 299 N 5.05 0.59 -3.31 0.43 3.01 -1.26 -3.26 117.46 118.71 3k1a n PHE 299 Ca -0.11 -1.51 -0.44 0.00 1.01 0.00 0.00 57.45 56.39 3k1a n PHE 299 Cb 0.51 -0.37 -0.07 0.00 -0.01 0.00 0.00 39.48 39.53 3k1a n PHE 299 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3k1a s PHE 300 N -3.22 3.19 0.00 1.38 0.08 -1.26 -0.47 117.98 117.67 3k1a s PHE 300 Ca 0.41 -0.88 0.00 0.00 0.12 0.00 0.00 56.93 56.58 3k1a s PHE 300 Cb 0.38 -3.38 0.00 0.00 -0.57 0.00 0.00 43.02 39.46 3k1a s PHE 300 CO -0.03 -0.91 0.00 0.41 -0.10 0.00 0.00 175.22 174.60 3k1a n GLY 301 N 5.21 -0.70 0.14 4.36 0.00 -1.26 -3.19 105.19 109.74 3k1a n GLY 301 Ca -0.11 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 3k1a n GLY 301 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k1a h PRO 302 N 0.00 0.38 -0.34 1.61 0.13 -1.92 -1.10 132.00 130.74 3k1a h PRO 302 Ca 0.00 -0.11 0.07 0.00 -0.87 0.00 0.00 66.00 65.09 3k1a h PRO 302 Cb 0.00 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 31.02 3k1a h PRO 302 CO 0.00 0.55 -0.12 1.15 -0.23 0.00 0.00 178.00 179.35 3k1a h THR 303 N 0.15 0.59 -0.15 1.56 2.02 -1.91 0.18 112.91 115.35 3k1a h THR 303 Ca 0.06 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 67.03 3k1a h THR 303 Cb 0.37 0.59 0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3k1a h THR 303 CO 0.01 0.00 -0.74 0.11 0.37 0.00 0.00 175.52 175.27 3k1a h LYS 304 N -0.04 0.70 -0.37 6.66 1.79 -1.75 -2.12 116.57 121.44 3k1a h LYS 304 Ca 0.17 -0.56 -0.04 0.00 -2.18 0.00 0.00 60.65 58.04 3k1a h LYS 304 Cb 0.30 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 3k1a h LYS 304 CO -0.38 1.17 0.08 1.15 -1.08 0.00 0.00 179.45 180.39 3k1a h THR 305 N 0.49 1.23 0.03 -0.16 2.02 -0.92 -0.56 112.91 115.04 3k1a h THR 305 Ca -0.04 -0.79 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 3k1a h THR 305 Cb 1.35 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 3k1a h THR 305 CO 0.15 0.27 -0.01 0.40 0.37 0.00 0.00 175.52 176.69 3k1a h ILE 306 N 0.46 1.02 -0.62 3.11 2.04 -0.69 0.40 117.51 123.23 3k1a h ILE 306 Ca 0.12 -0.15 0.13 0.00 1.00 0.00 0.00 64.86 65.95 3k1a h ILE 306 Cb 0.32 1.12 -0.10 0.00 -0.74 0.00 0.00 36.82 37.42 3k1a h ILE 306 CO 0.00 0.04 0.01 -0.08 0.00 0.00 0.00 178.15 178.12 3k1a h GLU 307 N -0.11 0.12 -0.24 2.37 4.81 -1.33 -2.18 114.58 118.02 3k1a h GLU 307 Ca -0.00 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3k1a h GLU 307 Cb 0.10 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3k1a h GLU 307 CO 0.01 0.08 -0.05 0.77 -0.73 0.00 0.00 179.01 179.09 3k1a h SER 308 N 0.13 0.46 -0.91 1.04 0.02 -0.73 -1.79 113.55 111.76 3k1a h SER 308 Ca 0.33 -0.36 0.06 0.00 -0.84 0.00 0.00 61.79 60.98 3k1a h SER 308 Cb 0.53 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.88 3k1a h SER 308 CO -0.52 0.72 0.60 -0.07 -1.14 0.00 0.00 176.83 176.41 3k1a h LEU 309 N 0.21 0.93 -0.32 5.07 3.38 -0.70 0.24 115.31 124.12 3k1a h LEU 309 Ca 0.06 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.84 3k1a h LEU 309 Cb 0.51 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3k1a h LEU 309 CO 0.02 0.61 -0.80 0.03 0.09 0.00 0.00 178.44 178.39 3k1a h ARG 310 N 1.06 0.42 -0.40 1.13 3.08 -1.27 -0.70 114.38 117.70 3k1a h ARG 310 Ca 0.39 -0.38 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 3k1a h ARG 310 Cb 0.16 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3k1a h ARG 310 CO -0.14 1.03 -0.11 0.00 -1.07 0.00 0.00 179.97 179.68 3k1a h ALA 311 N 0.86 0.55 -0.19 0.04 0.00 -0.91 -1.90 119.26 117.72 3k1a h ALA 311 Ca -0.05 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 3k1a h ALA 311 Cb 1.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3k1a h ALA 311 CO 0.14 0.43 -0.04 0.82 0.00 0.00 0.00 179.25 180.60 3k1a h ILE 312 N 0.59 1.28 -0.31 0.00 2.04 -0.94 -3.09 117.51 117.08 3k1a h ILE 312 Ca 0.10 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 64.96 3k1a h ILE 312 Cb 0.64 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 3k1a h ILE 312 CO 0.04 0.30 0.17 0.00 0.00 0.00 0.00 178.15 178.66 3k1a h ALA 313 N 0.74 1.72 0.00 1.87 0.00 -1.13 -2.39 119.26 120.06 3k1a h ALA 313 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3k1a h ALA 313 Cb 0.47 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3k1a h ALA 313 CO 0.02 0.24 -0.07 0.00 0.00 0.00 0.00 179.25 179.44 3k1a h ALA 314 N 1.76 1.26 0.00 0.00 0.00 -1.25 -2.13 119.26 118.91 3k1a h ALA 314 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3k1a h ALA 314 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3k1a h ALA 314 CO -0.02 0.08 0.00 0.87 0.00 0.00 0.00 179.25 180.18 3k1a h LYS 315 N 0.00 0.00 0.00 0.00 1.79 -1.46 -3.45 116.57 113.45 3k1a h LYS 315 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3k1a h LYS 315 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3k1a h LYS 315 CO 0.01 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.57 3k1a n PHE 316 N -2.36 0.00 -4.73 -1.35 3.72 -0.80 -5.16 117.46 106.78 3k1a n PHE 316 Ca 0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.12 3k1a n PHE 316 Cb 0.34 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.81 3k1a n PHE 316 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3k1a s ASP 317 N -0.23 3.93 0.34 4.37 1.47 -1.26 -5.01 116.67 120.28 3k1a s ASP 317 Ca 0.00 -1.68 0.08 0.00 1.18 0.00 0.00 52.55 52.13 3k1a s ASP 317 Cb 0.00 0.58 0.78 0.00 -0.34 0.00 0.00 42.92 43.95 3k1a s ASP 317 CO 0.00 -0.90 1.85 -0.33 0.68 0.00 0.00 175.17 176.47 3k1a h GLU 318 N 1.40 0.71 -0.60 2.11 4.39 -1.98 -1.77 114.58 118.83 3k1a h GLU 318 Ca -0.42 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.13 3k1a h GLU 318 Cb 1.31 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 3k1a h GLU 318 CO 0.71 0.47 -0.01 0.66 -1.16 0.00 0.00 179.01 179.67 3k1a h SER 319 N 0.73 1.06 -0.28 1.42 4.64 -1.97 -0.42 113.55 118.74 3k1a h SER 319 Ca 0.48 -0.31 -0.17 0.00 -0.47 0.00 0.00 61.79 61.31 3k1a h SER 319 Cb 0.74 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3k1a h SER 319 CO -0.24 1.11 -0.49 0.40 -0.87 0.00 0.00 176.83 176.74 3k1a h ILE 320 N 0.98 1.28 -0.40 0.95 1.08 -1.71 -2.64 117.51 117.05 3k1a h ILE 320 Ca 0.17 -1.68 -0.03 0.00 -0.39 0.00 0.00 64.86 62.93 3k1a h ILE 320 Cb 0.58 1.56 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 3k1a h ILE 320 CO 0.03 0.55 0.12 1.56 -0.69 0.00 0.00 178.15 179.73 3k1a h GLN 321 N 0.67 0.57 -0.09 2.37 4.20 -1.02 -0.27 115.11 121.55 3k1a h GLN 321 Ca 0.03 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.49 3k1a h GLN 321 Cb 1.09 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.78 3k1a h GLN 321 CO 0.11 0.51 -0.60 0.87 -0.67 0.00 0.00 178.83 179.05 3k1a h LYS 322 N 0.57 0.56 -0.12 1.46 1.79 -1.07 -3.02 116.57 116.74 3k1a h LYS 322 Ca 0.14 -0.49 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 3k1a h LYS 322 Cb 0.17 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 3k1a h LYS 322 CO -0.01 1.11 0.04 0.87 -1.08 0.00 0.00 179.45 180.39 3k1a h LYS 323 N 0.18 0.16 0.11 3.15 1.57 -1.25 -2.05 116.57 118.44 3k1a h LYS 323 Ca -0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3k1a h LYS 323 Cb 1.25 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3k1a h LYS 323 CO 0.12 0.14 -0.10 0.00 -0.57 0.00 0.00 179.45 179.04 3k1a h GLU 325 N -0.23 0.00 -0.13 0.00 4.39 -1.31 -0.73 114.58 116.57 3k1a h GLU 325 Ca 0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 3k1a h GLU 325 Cb 0.22 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3k1a h GLU 325 CO -0.02 0.18 -0.78 0.93 -1.16 0.00 0.00 179.01 178.15 3k1a h GLU 326 N 0.00 0.72 -0.24 2.33 5.08 -1.16 -0.23 114.58 121.08 3k1a h GLU 326 Ca -0.00 -0.59 -0.02 0.00 -1.00 0.00 0.00 59.36 57.75 3k1a h GLU 326 Cb 0.38 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3k1a h GLU 326 CO 0.02 1.20 0.08 0.28 -1.00 0.00 0.00 179.01 179.60 3k1a h VAL 327 N 0.48 1.18 -0.46 3.13 2.07 -0.75 -0.96 116.25 120.95 3k1a h VAL 327 Ca -0.05 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3k1a h VAL 327 Cb 1.40 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3k1a h VAL 327 CO 0.16 0.19 0.28 0.40 0.02 0.00 0.00 177.57 178.61 3k1a h ILE 328 N 0.22 1.14 -0.56 4.57 2.04 -1.15 -2.22 117.51 121.54 3k1a h ILE 328 Ca 0.08 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3k1a h ILE 328 Cb 0.21 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3k1a h ILE 328 CO -0.00 0.14 0.35 0.00 0.00 0.00 0.00 178.15 178.64 3k1a h ALA 329 N 1.14 1.56 -0.10 1.87 0.00 -0.96 -1.95 119.26 120.82 3k1a h ALA 329 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3k1a h ALA 329 Cb -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3k1a h ALA 329 CO -0.03 0.39 -0.03 -0.22 0.00 0.00 0.00 179.25 179.36 3k1a h LYS 330 N 0.77 0.20 -0.00 0.00 3.64 -0.60 -3.26 116.57 117.32 3k1a h LYS 330 Ca 0.20 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3k1a h LYS 330 Cb -0.05 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3k1a h LYS 330 CO -0.04 0.53 -0.25 0.66 -2.27 0.00 0.00 179.45 178.08 3k1a n TYR 331 N -4.75 0.00 -0.05 1.91 4.01 -0.92 -4.37 117.16 112.99 3k1a n TYR 331 Ca -0.06 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.59 3k1a n TYR 331 Cb 0.25 -0.30 -0.02 0.00 -0.31 0.00 0.00 39.34 38.96 3k1a n TYR 331 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3k1a h LYS 332 N 0.21 -0.26 0.00 -0.72 3.64 -1.40 -1.39 116.57 116.65 3k1a h LYS 332 Ca 0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3k1a h LYS 332 Cb 0.47 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3k1a h LYS 332 CO 0.00 -0.17 -0.11 -1.00 -2.27 0.00 0.00 179.45 175.89 3k1a h PRO 333 N -0.27 0.00 0.19 1.90 0.13 -1.80 -1.35 132.00 130.80 3k1a h PRO 333 Ca 0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 3k1a h PRO 333 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 3k1a h PRO 333 CO -0.41 0.11 -0.09 0.93 -0.23 0.00 0.00 178.00 178.31 3k1a h GLU 334 N 0.00 -0.25 -0.02 0.86 5.08 -1.54 -2.40 114.58 116.31 3k1a h GLU 334 Ca -0.00 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 3k1a h GLU 334 Cb 0.33 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3k1a h GLU 334 CO 0.01 0.15 -0.49 0.11 -1.00 0.00 0.00 179.01 177.79 3k1a h TRP 335 N -0.86 0.05 -0.20 4.33 5.08 -1.35 -2.19 115.95 120.79 3k1a h TRP 335 Ca -0.03 -0.01 -0.10 0.00 1.08 0.00 0.00 58.89 59.83 3k1a h TRP 335 Cb 0.51 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.65 3k1a h TRP 335 CO 0.07 0.52 -0.29 0.93 -1.28 0.00 0.00 178.44 178.39 3k1a h GLU 336 N 0.03 0.40 -0.15 0.12 5.08 -1.34 -1.39 114.58 117.33 3k1a h GLU 336 Ca -0.00 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 3k1a h GLU 336 Cb 0.88 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3k1a h GLU 336 CO 0.07 0.66 -0.47 0.00 -1.00 0.00 0.00 179.01 178.26 3k1a h ALA 337 N 1.34 0.91 -0.04 3.43 0.00 -1.18 -1.27 119.26 122.45 3k1a h ALA 337 Ca 0.05 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3k1a h ALA 337 Cb 0.69 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3k1a h ALA 337 CO 0.05 0.65 0.02 0.28 0.00 0.00 0.00 179.25 180.25 3k1a h VAL 338 N 0.31 1.13 -0.21 0.00 2.07 -0.97 -2.07 116.25 116.51 3k1a h VAL 338 Ca 0.02 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3k1a h VAL 338 Cb 0.95 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3k1a h VAL 338 CO 0.08 0.11 0.05 1.62 0.02 0.00 0.00 177.57 179.45 3k1a h VAL 339 N -0.09 1.21 -0.99 2.57 3.04 -1.26 -0.29 116.25 120.44 3k1a h VAL 339 Ca 0.01 -0.66 0.17 0.00 -1.01 0.00 0.00 66.70 65.21 3k1a h VAL 339 Cb 0.16 1.25 -0.10 0.00 -2.01 0.00 0.00 31.29 30.59 3k1a h VAL 339 CO -0.00 0.21 0.60 0.00 -1.01 0.00 0.00 177.57 177.36 3k1a h ALA 340 N 0.86 1.59 0.05 3.17 0.00 -1.24 0.30 119.26 123.99 3k1a h ALA 340 Ca 0.06 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.81 3k1a h ALA 340 Cb 0.27 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.97 3k1a h ALA 340 CO 0.00 0.01 -0.92 -0.22 0.00 0.00 0.00 179.25 178.12 3k1a h LYS 341 N 0.80 0.54 0.00 0.00 3.64 -1.17 -3.42 116.57 116.97 3k1a h LYS 341 Ca 0.55 -0.65 -0.24 0.00 -1.27 0.00 0.00 60.65 59.04 3k1a h LYS 341 Cb 0.77 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.75 3k1a h LYS 341 CO -0.35 1.26 -1.93 0.66 -2.27 0.00 0.00 179.45 176.82 3k1a n TYR 342 N -3.99 0.00 -0.13 1.91 4.01 -0.14 -4.56 117.16 114.26 3k1a n TYR 342 Ca -0.12 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.57 3k1a n TYR 342 Cb 0.83 -0.66 0.03 0.00 -0.31 0.00 0.00 39.34 39.24 3k1a n TYR 342 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3k1a h ARG 343 N 0.00 0.24 -0.02 -0.72 2.43 -0.61 -0.99 114.38 114.71 3k1a h ARG 343 Ca -0.35 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.81 3k1a h ARG 343 Cb 1.79 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.28 3k1a h ARG 343 CO 0.02 0.16 0.05 -1.35 -1.51 0.00 0.00 179.97 177.34 3k1a h PRO 344 N 0.25 0.00 0.00 0.20 0.11 -1.81 0.57 132.00 131.33 3k1a h PRO 344 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3k1a h PRO 344 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 3k1a h PRO 344 CO -0.23 0.00 -0.62 0.00 -0.21 0.00 0.00 178.00 176.94 3k1a h ARG 345 N 0.00 0.00 0.00 1.05 3.08 -1.43 -3.37 114.38 113.70 3k1a h ARG 345 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3k1a h ARG 345 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3k1a h ARG 345 CO -0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 3k1a n LEU 346 N -2.23 0.23 -4.65 3.04 4.77 -0.38 -4.93 117.00 112.84 3k1a n LEU 346 Ca 0.03 -0.51 -0.47 0.00 -0.03 0.00 0.00 56.01 55.03 3k1a n LEU 346 Cb 0.46 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 3k1a n LEU 346 CO 0.36 0.06 1.10 1.21 -1.33 0.00 0.00 177.39 178.79 3k1a n GLU 347 N -0.58 1.92 0.00 3.23 4.07 0.19 -2.13 120.64 127.34 3k1a n GLU 347 Ca 0.00 0.69 0.00 0.00 -0.06 0.00 0.00 57.16 57.79 3k1a n GLU 347 Cb 0.01 -2.41 0.00 0.00 -0.06 0.00 0.00 31.44 28.98 3k1a n GLU 347 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3k1a n GLY 348 N 3.00 2.57 3.77 8.31 0.00 0.12 -4.97 105.19 117.99 3k1a n GLY 348 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3k1a n GLY 348 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1a s LYS 349 N -0.15 4.29 -0.16 1.61 -0.14 -0.91 -4.76 119.74 119.52 3k1a s LYS 349 Ca 0.00 1.75 -0.05 0.00 -1.36 0.00 0.00 55.97 56.31 3k1a s LYS 349 Cb 0.00 -2.82 -0.03 0.00 -1.68 0.00 0.00 37.83 33.30 3k1a s LYS 349 CO 0.00 -0.08 -0.01 1.03 -0.76 0.00 0.00 175.35 175.52 3k1a s ARG 350 N -2.05 3.74 -0.05 1.68 0.52 -1.26 -1.12 118.95 120.41 3k1a s ARG 350 Ca 0.53 -0.48 0.04 0.00 -0.52 0.00 0.00 55.73 55.30 3k1a s ARG 350 Cb -0.29 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 3k1a s ARG 350 CO 0.37 0.24 -0.15 0.08 0.02 0.00 0.00 175.30 175.85 3k1a s VAL 351 N 0.40 2.96 -0.05 3.52 1.01 0.28 -0.50 120.40 128.01 3k1a s VAL 351 Ca -0.02 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.24 3k1a s VAL 351 Cb -0.14 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 3k1a s VAL 351 CO 0.02 0.59 -0.17 -0.04 0.00 0.00 0.00 175.10 175.50 3k1a s MET 352 N -0.67 2.55 0.02 2.72 -1.94 -0.75 -0.38 119.30 120.85 3k1a s MET 352 Ca 0.10 -0.75 0.06 0.00 -1.71 0.00 0.00 55.69 53.39 3k1a s MET 352 Cb -0.11 -2.33 -0.02 0.00 2.01 0.00 0.00 34.83 34.38 3k1a s MET 352 CO 0.01 0.55 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.87 3k1a s LEU 353 N -0.54 2.13 -0.19 -0.03 1.43 -0.25 -1.26 118.68 119.97 3k1a s LEU 353 Ca 0.07 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3k1a s LEU 353 Cb -0.11 -0.88 0.09 0.00 0.03 0.00 0.00 46.19 45.32 3k1a s LEU 353 CO 0.01 0.15 0.27 -0.47 0.23 0.00 0.00 176.35 176.54 3k1a s TYR 354 N -0.69 -0.43 0.00 0.29 5.04 -0.83 -2.24 117.35 118.50 3k1a s TYR 354 Ca 0.06 0.55 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 3k1a s TYR 354 Cb -0.08 -0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.03 3k1a s TYR 354 CO 0.01 -0.56 0.00 -0.89 -1.34 0.00 0.00 175.55 172.77 3k1a n ILE 355 N 5.34 0.00 0.00 3.14 5.41 -0.99 -4.15 119.36 128.11 3k1a n ILE 355 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.70 3k1a n ILE 355 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 3k1a n ILE 355 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3k1a n GLY 356 N 0.45 0.49 0.00 7.39 0.00 -1.26 -0.77 105.19 111.50 3k1a n GLY 356 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k1a n GLY 356 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1a n GLY 357 N 2.35 1.00 1.74 -0.02 0.00 -1.26 -1.69 105.19 107.31 3k1a n GLY 357 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k1a n GLY 357 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3k1a n LEU 358 N 0.00 0.13 0.30 0.99 7.94 -1.26 -4.58 117.00 120.53 3k1a n LEU 358 Ca 0.00 0.33 0.17 0.00 -1.11 0.00 0.00 56.01 55.41 3k1a n LEU 358 Cb 0.12 0.18 0.97 0.00 0.53 0.00 0.00 43.42 45.21 3k1a n LEU 358 CO 0.00 -0.71 1.11 0.03 -1.11 0.00 0.00 177.39 176.71 3k1a h ARG 359 N 0.00 0.00 -0.21 1.96 -0.00 -1.95 -2.29 114.38 111.88 3k1a h ARG 359 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 59.98 59.54 3k1a h ARG 359 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.01 3k1a h ARG 359 CO 0.00 0.03 0.20 -1.35 0.00 0.00 0.00 179.97 178.84 3k1a h PRO 360 N 0.00 0.00 0.00 0.04 0.11 -1.91 -2.91 132.00 127.33 3k1a h PRO 360 Ca -0.00 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.80 3k1a h PRO 360 Cb 0.10 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.15 3k1a h PRO 360 CO 0.00 0.00 -2.16 2.89 -0.21 0.00 0.00 178.00 178.52 3k1a n ARG 361 N -4.04 0.81 0.18 1.05 1.85 -0.98 -4.72 116.66 110.81 3k1a n ARG 361 Ca 0.02 0.07 0.03 0.00 -1.00 0.00 0.00 57.85 56.98 3k1a n ARG 361 Cb 0.33 -1.42 0.34 0.00 -1.05 0.00 0.00 32.46 30.67 3k1a n ARG 361 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3k1a h HIS 362 N 0.00 0.00 -0.01 2.89 3.86 -1.33 -2.76 115.15 117.81 3k1a h HIS 362 Ca -0.46 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 3k1a h HIS 362 Cb 1.82 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.29 3k1a h HIS 362 CO 0.02 0.41 -0.19 1.33 0.86 0.00 0.00 177.93 180.36 3k1a n VAL 363 N -3.90 0.00 -0.21 2.45 0.24 -1.11 -4.25 118.33 111.55 3k1a n VAL 363 Ca -0.01 -0.14 0.01 0.00 -2.04 0.00 0.00 64.34 62.16 3k1a n VAL 363 Cb 0.46 0.33 0.25 0.00 -1.47 0.00 0.00 33.84 33.40 3k1a n VAL 363 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3k1a h ILE 364 N 1.29 1.19 -0.45 1.34 2.04 -1.74 -2.44 117.51 118.74 3k1a h ILE 364 Ca 0.00 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 3k1a h ILE 364 Cb 0.48 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3k1a h ILE 364 CO 0.00 0.18 0.08 1.23 0.00 0.00 0.00 178.15 179.64 3k1a h GLY 365 N 1.01 0.79 1.09 5.37 0.00 -1.79 -1.67 103.07 107.87 3k1a h GLY 365 Ca 0.27 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3k1a h GLY 365 CO -0.06 0.49 0.52 0.00 0.00 0.00 0.00 176.54 177.49 3k1a h ALA 366 N 0.95 1.26 -0.48 3.60 0.00 -1.43 -0.99 119.26 122.17 3k1a h ALA 366 Ca 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3k1a h ALA 366 Cb 0.37 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3k1a h ALA 366 CO 0.01 0.63 0.23 1.88 0.00 0.00 0.00 179.25 182.00 3k1a h TYR 367 N 1.22 0.69 0.00 0.00 0.05 -1.29 -3.07 116.97 114.57 3k1a h TYR 367 Ca 0.32 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 59.00 3k1a h TYR 367 Cb -0.03 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 3k1a h TYR 367 CO 0.01 0.55 -0.27 0.93 -1.05 0.00 0.00 178.16 178.33 3k1a h GLU 368 N 0.63 0.00 0.00 4.88 5.08 -0.80 -1.32 114.58 123.06 3k1a h GLU 368 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3k1a h GLU 368 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3k1a h GLU 368 CO -0.02 0.27 0.00 -0.44 -1.00 0.00 0.00 179.01 177.82 3k1a h ASP 369 N 0.00 0.00 -0.33 1.42 3.32 -1.10 -1.89 116.42 117.85 3k1a h ASP 369 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k1a h ASP 369 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3k1a h ASP 369 CO 0.04 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.74 3k1a n LEU 370 N -2.31 3.73 -1.25 1.55 4.77 -0.59 -4.88 117.00 118.03 3k1a n LEU 370 Ca 0.01 -2.65 -0.13 0.00 -0.03 0.00 0.00 56.01 53.21 3k1a n LEU 370 Cb 0.18 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 3k1a n LEU 370 CO 0.17 0.70 -0.15 0.61 -1.33 0.00 0.00 177.39 177.40 3k1a n GLY 371 N -0.02 0.53 3.92 -0.72 0.00 -0.71 -3.31 105.19 104.88 3k1a n GLY 371 Ca 0.19 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 3k1a n GLY 371 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3k1a s MET 372 N -3.94 3.47 -0.14 1.61 -1.94 -0.69 0.11 119.30 117.79 3k1a s MET 372 Ca 0.00 -0.37 -0.02 0.00 -1.71 0.00 0.00 55.69 53.59 3k1a s MET 372 Cb 0.00 -3.00 -0.03 0.00 2.01 0.00 0.00 34.83 33.81 3k1a s MET 372 CO 0.00 0.58 -0.06 -2.00 -0.01 0.00 0.00 175.02 173.53 3k1a s GLU 373 N -2.53 3.47 -0.54 2.03 2.12 -0.28 -3.74 118.70 119.24 3k1a s GLU 373 Ca 0.36 -0.56 -0.21 0.00 0.36 0.00 0.00 54.97 54.92 3k1a s GLU 373 Cb -0.13 -2.81 0.06 0.00 0.26 0.00 0.00 34.13 31.51 3k1a s GLU 373 CO 0.27 0.31 0.76 0.08 -0.54 0.00 0.00 175.26 176.14 3k1a s VAL 374 N 0.17 4.67 -0.88 3.70 1.01 -1.26 0.99 120.40 128.79 3k1a s VAL 374 Ca -0.03 -0.27 0.25 0.00 0.00 0.00 0.00 61.98 61.94 3k1a s VAL 374 Cb -0.14 -4.42 0.06 0.00 0.00 0.00 0.00 36.38 31.88 3k1a s VAL 374 CO 0.03 -0.97 1.47 1.33 0.00 0.00 0.00 175.10 176.95 3k1a n VAL 375 N 5.82 0.12 -3.56 2.92 0.24 0.49 -4.77 118.33 119.59 3k1a n VAL 375 Ca -0.04 -0.09 -0.16 0.00 -2.04 0.00 0.00 64.34 62.01 3k1a n VAL 375 Cb 0.46 0.01 -0.06 0.00 -1.47 0.00 0.00 33.84 32.78 3k1a n VAL 375 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3k1a s GLY 376 N -3.21 -0.55 0.17 7.63 0.00 -1.22 -2.39 107.32 107.76 3k1a s GLY 376 Ca 0.10 1.62 -0.13 0.00 0.00 0.00 0.00 44.72 46.30 3k1a s GLY 376 CO 0.68 1.25 0.39 -1.08 0.00 0.00 0.00 173.10 174.34 3k1a s THR 377 N -0.62 0.06 -0.15 0.90 -1.32 -0.50 -1.09 115.64 112.91 3k1a s THR 377 Ca -0.07 -1.02 -0.33 0.00 -1.21 0.00 0.00 61.69 59.06 3k1a s THR 377 Cb -0.02 -1.61 0.13 0.00 -1.51 0.00 0.00 72.50 69.49 3k1a s THR 377 CO 0.06 -0.25 1.14 -0.83 -2.21 0.00 0.00 174.62 172.53 3k1a s GLY 378 N -2.90 -0.32 0.08 6.08 0.00 -0.95 -2.61 107.32 106.71 3k1a s GLY 378 Ca 0.11 1.53 0.09 0.00 0.00 0.00 0.00 44.72 46.45 3k1a s GLY 378 CO -0.03 0.53 -0.21 -0.19 0.00 0.00 0.00 173.10 173.20 3k1a s TYR 379 N -2.48 2.48 -0.03 1.90 1.51 -1.13 -2.35 117.35 117.25 3k1a s TYR 379 Ca 0.08 -0.30 -0.25 0.00 -1.01 0.00 0.00 57.07 55.59 3k1a s TYR 379 Cb -0.01 -1.38 -0.19 0.00 -0.11 0.00 0.00 41.96 40.27 3k1a s TYR 379 CO -0.05 0.30 1.17 0.93 -1.11 0.00 0.00 175.55 176.79 3k1a h GLU 380 N 4.19 -0.09 0.00 -0.62 5.08 -0.04 0.50 114.58 123.61 3k1a h GLU 380 Ca -0.49 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 3k1a h GLU 380 Cb 1.16 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 3k1a h GLU 380 CO 0.45 0.38 -0.46 1.97 -1.00 0.00 0.00 179.01 180.36 3k1a n PHE 381 N -4.89 0.00 -1.46 4.33 1.16 -0.96 -3.79 117.46 111.85 3k1a n PHE 381 Ca -0.09 -0.32 -0.33 0.00 -1.87 0.00 0.00 57.45 54.84 3k1a n PHE 381 Cb 0.26 -0.09 0.08 0.00 -1.61 0.00 0.00 39.48 38.12 3k1a n PHE 381 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3k1a s ALA 382 N -0.72 2.20 0.54 1.98 0.00 -1.24 -4.75 121.76 119.77 3k1a s ALA 382 Ca 0.12 0.65 0.07 0.00 0.00 0.00 0.00 51.96 52.80 3k1a s ALA 382 Cb 0.12 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.91 3k1a s ALA 382 CO -0.02 -1.73 0.75 -1.01 0.00 0.00 0.00 175.76 173.76 3k1a s HIS 383 N -2.30 2.03 0.36 0.00 3.76 -1.26 -3.27 115.29 114.62 3k1a s HIS 383 Ca 0.69 -0.48 0.06 0.00 -0.15 0.00 0.00 55.06 55.18 3k1a s HIS 383 Cb -0.24 -2.43 0.75 0.00 1.11 0.00 0.00 32.58 31.77 3k1a s HIS 383 CO 0.46 -0.97 1.96 -0.97 -0.85 0.00 0.00 174.74 174.37 3k1a h ASN 384 N 0.21 0.65 0.35 1.40 -1.24 -1.95 -1.88 115.58 113.13 3k1a h ASN 384 Ca -0.35 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.63 3k1a h ASN 384 Cb 1.28 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 40.19 3k1a h ASN 384 CO 0.43 0.42 -0.16 -2.24 -1.29 0.00 0.00 177.43 174.60 3k1a h ASP 385 N 0.74 0.00 -0.23 1.15 3.04 -1.99 0.20 116.42 119.32 3k1a h ASP 385 Ca 0.31 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.96 3k1a h ASP 385 Cb 0.27 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.56 3k1a h ASP 385 CO -0.10 0.16 -0.43 0.44 -2.04 0.00 0.00 179.24 177.26 3k1a h ASP 386 N 0.00 0.78 -0.15 4.15 3.32 -1.73 -2.89 116.42 119.90 3k1a h ASP 386 Ca -0.00 -0.54 -0.10 0.00 0.02 0.00 0.00 57.03 56.42 3k1a h ASP 386 Cb 0.37 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3k1a h ASP 386 CO 0.02 1.17 -0.21 1.88 -1.72 0.00 0.00 179.24 180.38 3k1a h TYR 387 N 0.42 0.65 -0.54 4.55 0.05 -1.24 0.38 116.97 121.24 3k1a h TYR 387 Ca 0.01 -0.13 0.08 0.00 0.05 0.00 0.00 58.73 58.74 3k1a h TYR 387 Cb 1.03 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 38.54 3k1a h TYR 387 CO 0.08 0.75 0.18 -0.44 -1.05 0.00 0.00 178.16 177.68 3k1a h ASP 388 N 0.52 0.16 0.60 3.88 3.32 -1.00 -0.05 116.42 123.85 3k1a h ASP 388 Ca 0.08 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 3k1a h ASP 388 Cb 0.65 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3k1a h ASP 388 CO 0.05 0.11 -0.44 0.03 -1.72 0.00 0.00 179.24 177.27 3k1a h ARG 389 N 0.35 0.00 0.04 3.56 3.08 -1.23 -3.24 114.38 116.94 3k1a h ARG 389 Ca 0.26 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.06 3k1a h ARG 389 Cb 0.31 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.37 3k1a h ARG 389 CO -0.28 0.44 -1.06 1.15 -1.07 0.00 0.00 179.97 179.15 3k1a h THR 390 N 0.00 1.37 -0.77 2.04 2.02 -0.23 -3.33 112.91 114.01 3k1a h THR 390 Ca -0.00 -2.50 0.18 0.00 0.77 0.00 0.00 66.41 64.86 3k1a h THR 390 Cb 0.86 2.53 -0.13 0.00 -1.74 0.00 0.00 68.15 69.67 3k1a h THR 390 CO 0.06 0.75 0.04 -0.03 0.37 0.00 0.00 175.52 176.70 3k1a h MET 391 N 0.25 0.12 -0.20 6.66 -1.53 -1.05 -1.58 114.93 117.59 3k1a h MET 391 Ca -0.12 -0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.12 3k1a h MET 391 Cb 1.71 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 32.73 3k1a h MET 391 CO 0.19 0.08 0.07 0.87 0.14 0.00 0.00 176.91 178.25 3k1a h LYS 392 N 0.12 0.30 0.00 0.39 1.79 -1.71 -3.20 116.57 114.25 3k1a h LYS 392 Ca 0.43 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.78 3k1a h LYS 392 Cb 0.76 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 3k1a h LYS 392 CO -0.66 0.39 -0.25 0.93 -1.08 0.00 0.00 179.45 178.78 3k1a h GLU 393 N 0.15 0.00 -6.09 3.15 4.39 -1.44 -3.44 114.58 111.30 3k1a h GLU 393 Ca 0.06 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.17 3k1a h GLU 393 Cb 0.21 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 3k1a h GLU 393 CO -0.00 0.25 -0.32 -1.64 -1.16 0.00 0.00 179.01 176.14 3k1a s MET 394 N -3.64 3.64 0.74 2.33 -1.94 -0.81 -4.99 119.30 114.62 3k1a s MET 394 Ca 0.00 -0.04 -0.11 0.00 -1.71 0.00 0.00 55.69 53.83 3k1a s MET 394 Cb 0.10 -2.93 0.03 0.00 2.01 0.00 0.00 34.83 34.04 3k1a s MET 394 CO 0.65 0.53 1.08 0.20 -0.01 0.00 0.00 175.02 177.47 3k1a s GLY 395 N -2.14 1.64 0.43 -0.03 0.00 -1.26 -4.92 107.32 101.03 3k1a s GLY 395 Ca 0.36 -0.16 -0.26 0.00 0.00 0.00 0.00 44.72 44.66 3k1a s GLY 395 CO 0.22 0.21 1.40 -0.35 0.00 0.00 0.00 173.10 174.57 3k1a s ASP 396 N -4.01 6.08 0.00 1.64 2.15 -1.26 -3.14 116.67 118.13 3k1a s ASP 396 Ca 0.59 2.86 0.00 0.00 0.43 0.00 0.00 52.55 56.43 3k1a s ASP 396 Cb -0.13 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.84 3k1a s ASP 396 CO 0.54 -1.03 0.00 -1.20 -0.17 0.00 0.00 175.17 173.31 3k1a n SER 397 N 0.01 -3.39 -4.88 -0.34 7.64 -1.26 -4.95 113.62 106.45 3k1a n SER 397 Ca 0.04 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.62 3k1a n SER 397 Cb 0.42 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 3k1a n SER 397 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3k1a s THR 398 N -1.89 4.74 -0.13 0.44 -4.23 -1.19 -4.43 115.64 108.96 3k1a s THR 398 Ca 0.00 0.75 -0.19 0.00 -1.18 0.00 0.00 61.69 61.07 3k1a s THR 398 Cb 0.00 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 3k1a s THR 398 CO 0.00 -1.01 0.52 -0.22 -0.54 0.00 0.00 174.62 173.37 3k1a s LEU 399 N -4.91 4.26 -0.10 4.79 2.96 -1.00 -1.04 118.68 123.64 3k1a s LEU 399 Ca 0.54 0.85 -0.01 0.00 -0.22 0.00 0.00 54.13 55.28 3k1a s LEU 399 Cb -0.11 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 3k1a s LEU 399 CO 0.49 -0.05 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.67 3k1a s LEU 400 N 0.83 3.30 -0.06 -0.68 1.02 0.13 -1.41 118.68 121.80 3k1a s LEU 400 Ca 0.27 -0.02 -0.03 0.00 0.02 0.00 0.00 54.13 54.38 3k1a s LEU 400 Cb -0.16 -1.75 0.04 0.00 0.02 0.00 0.00 46.19 44.34 3k1a s LEU 400 CO 0.11 0.30 0.12 -0.72 0.02 0.00 0.00 176.35 176.18 3k1a s TYR 401 N -0.41 -0.08 -0.15 0.29 -0.85 -1.07 -1.19 117.35 113.89 3k1a s TYR 401 Ca 0.07 0.46 -0.08 0.00 -0.52 0.00 0.00 57.07 56.99 3k1a s TYR 401 Cb -0.12 -0.33 -0.04 0.00 0.38 0.00 0.00 41.96 41.84 3k1a s TYR 401 CO 0.02 -0.23 0.13 0.34 -1.52 0.00 0.00 175.55 174.30 3k1a s ASP 402 N 2.14 6.29 -1.40 -0.18 2.15 -0.11 -2.86 116.67 122.71 3k1a s ASP 402 Ca 0.03 0.38 -0.05 0.00 0.43 0.00 0.00 52.55 53.34 3k1a s ASP 402 Cb -0.12 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 3k1a s ASP 402 CO -0.05 0.33 0.38 -0.67 -0.17 0.00 0.00 175.17 175.00 3k1a n ASP 403 N 2.52 -0.82 -4.76 -0.34 2.03 0.17 -4.83 116.55 110.51 3k1a n ASP 403 Ca -0.19 -1.09 -0.39 0.00 0.52 0.00 0.00 54.79 53.64 3k1a n ASP 403 Cb 0.54 -2.67 0.02 0.00 -0.72 0.00 0.00 41.12 38.29 3k1a n ASP 403 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3k1a s VAL 404 N -3.97 2.15 0.59 5.18 0.11 -1.26 -4.92 120.40 118.28 3k1a s VAL 404 Ca 0.09 0.13 -0.08 0.00 -2.93 0.00 0.00 61.98 59.18 3k1a s VAL 404 Cb -0.04 -3.07 -0.02 0.00 -1.53 0.00 0.00 36.38 31.73 3k1a s VAL 404 CO 0.92 0.01 0.94 0.42 -3.33 0.00 0.00 175.10 174.05 3k1a s THR 405 N -1.26 4.27 0.27 5.04 -4.23 -1.26 -4.20 115.64 114.27 3k1a s THR 405 Ca 0.65 0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 61.52 3k1a s THR 405 Cb -0.41 -3.69 0.14 0.00 1.34 0.00 0.00 72.50 69.88 3k1a s THR 405 CO 0.51 -0.79 1.81 1.23 -0.54 0.00 0.00 174.62 176.85 3k1a h GLY 406 N -0.18 0.88 0.75 3.99 0.00 -1.55 -2.13 103.07 104.82 3k1a h GLY 406 Ca -0.45 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.34 3k1a h GLY 406 CO 0.62 0.49 -0.10 -1.82 0.00 0.00 0.00 176.54 175.73 3k1a h TYR 407 N 0.78 -0.25 -0.42 5.60 3.20 -1.88 -2.90 116.97 121.10 3k1a h TYR 407 Ca 0.17 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.11 3k1a h TYR 407 Cb 0.33 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.62 3k1a h TYR 407 CO 0.02 0.03 0.04 0.93 -1.64 0.00 0.00 178.16 177.54 3k1a h GLU 408 N -0.53 0.15 -0.42 1.82 5.08 -1.91 -2.05 114.58 116.73 3k1a h GLU 408 Ca -0.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3k1a h GLU 408 Cb 0.40 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3k1a h GLU 408 CO 0.05 0.10 0.23 0.35 -1.00 0.00 0.00 179.01 178.74 3k1a h PHE 409 N 0.15 0.57 -0.37 4.33 3.57 -1.42 0.17 116.94 123.93 3k1a h PHE 409 Ca 0.21 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.71 3k1a h PHE 409 Cb 0.28 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3k1a h PHE 409 CO -0.25 0.43 0.24 1.49 -2.23 0.00 0.00 178.31 177.99 3k1a h GLU 410 N 0.54 0.47 -0.53 1.11 4.81 -1.33 -2.06 114.58 117.58 3k1a h GLU 410 Ca 0.15 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3k1a h GLU 410 Cb 0.04 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3k1a h GLU 410 CO -0.02 0.31 0.13 0.93 -0.73 0.00 0.00 179.01 179.62 3k1a h GLU 411 N 0.48 0.86 -0.45 1.92 4.39 -0.77 -0.53 114.58 120.49 3k1a h GLU 411 Ca 0.14 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 3k1a h GLU 411 Cb -0.03 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 3k1a h GLU 411 CO -0.05 0.82 0.28 0.74 -1.16 0.00 0.00 179.01 179.64 3k1a h PHE 412 N 0.75 0.58 -0.44 4.33 0.04 -0.60 -2.45 116.94 119.15 3k1a h PHE 412 Ca 0.17 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.86 3k1a h PHE 412 Cb 0.35 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3k1a h PHE 412 CO 0.02 0.40 -0.05 0.28 -0.60 0.00 0.00 178.31 178.36 3k1a h VAL 413 N 0.59 1.24 -0.65 -0.55 2.07 -1.13 0.12 116.25 117.95 3k1a h VAL 413 Ca 0.16 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 3k1a h VAL 413 Cb -0.02 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3k1a h VAL 413 CO -0.03 0.36 0.28 0.11 0.02 0.00 0.00 177.57 178.31 3k1a h LYS 414 N 0.69 0.96 0.05 1.57 1.57 -0.87 0.19 116.57 120.73 3k1a h LYS 414 Ca 0.13 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3k1a h LYS 414 Cb 0.50 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3k1a h LYS 414 CO 0.03 0.79 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.58 3k1a h ARG 415 N 0.91 -0.07 -0.09 3.15 9.65 -1.31 -3.36 114.38 123.26 3k1a h ARG 415 Ca 0.22 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.99 3k1a h ARG 415 Cb 0.17 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 3k1a h ARG 415 CO -0.02 0.56 -0.46 0.82 2.80 0.00 0.00 179.97 183.66 3k1a h ILE 416 N -0.84 1.33 -5.85 1.20 2.04 -0.77 -3.48 117.51 111.14 3k1a h ILE 416 Ca -0.01 -1.65 -0.25 0.00 1.00 0.00 0.00 64.86 63.96 3k1a h ILE 416 Cb 0.66 1.78 0.06 0.00 -0.74 0.00 0.00 36.82 38.58 3k1a h ILE 416 CO 0.01 0.49 -0.61 0.29 0.00 0.00 0.00 178.15 178.33 3k1a n LYS 417 N -3.98 -1.50 -1.78 2.37 5.02 0.66 -4.97 118.16 113.98 3k1a n LYS 417 Ca -0.02 0.96 -0.31 0.00 -2.02 0.00 0.00 58.31 56.93 3k1a n LYS 417 Cb 0.51 -4.76 0.03 0.00 -0.02 0.00 0.00 35.03 30.79 3k1a n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3k1a s PRO 418 N -4.42 3.32 0.20 1.97 0.04 -1.26 -4.97 135.00 129.87 3k1a s PRO 418 Ca 0.22 0.87 0.13 0.00 0.04 0.00 0.00 61.00 62.27 3k1a s PRO 418 Cb -0.06 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3k1a s PRO 418 CO 0.80 -0.79 1.30 -0.44 0.04 0.00 0.00 177.00 177.90 3k1a h ASP 419 N -0.39 0.00 -3.80 6.66 3.32 -1.17 -3.47 116.42 117.58 3k1a h ASP 419 Ca -0.44 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.43 3k1a h ASP 419 Cb 1.20 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.49 3k1a h ASP 419 CO 0.59 0.65 -0.47 -0.22 -1.72 0.00 0.00 179.24 178.08 3k1a s LEU 420 N -6.42 1.17 -0.05 1.55 2.96 -0.92 -4.06 118.68 112.91 3k1a s LEU 420 Ca 0.02 0.43 0.05 0.00 -0.22 0.00 0.00 54.13 54.40 3k1a s LEU 420 Cb 0.08 0.72 -0.02 0.00 0.50 0.00 0.00 46.19 47.47 3k1a s LEU 420 CO 0.78 -0.08 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.92 3k1a s ILE 421 N 0.14 2.75 -0.34 6.68 1.01 -0.36 -1.80 121.20 129.28 3k1a s ILE 421 Ca -0.00 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.83 3k1a s ILE 421 Cb -0.02 -2.05 0.10 0.00 0.01 0.00 0.00 42.46 40.50 3k1a s ILE 421 CO 0.00 0.58 0.08 -0.83 0.00 0.00 0.00 174.94 174.77 3k1a s GLY 422 N -0.60 1.63 0.00 6.18 0.00 -0.39 -0.77 107.32 113.37 3k1a s GLY 422 Ca 0.09 -2.24 0.00 0.00 0.00 0.00 0.00 44.72 42.57 3k1a s GLY 422 CO 0.01 1.21 0.00 -1.26 0.00 0.00 0.00 173.10 173.05 3k1a n SER 423 N 4.42 0.00 -3.95 1.64 2.88 -0.96 -1.96 113.62 115.70 3k1a n SER 423 Ca 0.02 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.40 3k1a n SER 423 Cb 0.42 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.89 3k1a n SER 423 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k1a n GLY 424 N 0.00 2.54 0.21 0.46 0.00 -1.26 0.00 105.19 107.15 3k1a n GLY 424 Ca 0.00 -2.24 0.02 0.00 0.00 0.00 0.00 46.02 43.81 3k1a n GLY 424 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3k1a h ILE 425 N 0.43 1.22 0.00 -0.61 6.09 -1.99 -1.37 117.51 121.28 3k1a h ILE 425 Ca -0.22 -1.02 0.00 0.00 -1.37 0.00 0.00 64.86 62.25 3k1a h ILE 425 Cb 0.86 1.46 0.00 0.00 0.47 0.00 0.00 36.82 39.61 3k1a h ILE 425 CO 0.33 0.30 0.00 0.11 -3.07 0.00 0.00 178.15 175.83 3k1a h LYS 426 N 0.10 0.00 0.00 2.19 1.57 -1.99 -3.18 116.57 115.27 3k1a h LYS 426 Ca 0.02 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.44 3k1a h LYS 426 Cb 0.52 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 3k1a h LYS 426 CO 0.04 0.00 -2.25 0.39 -0.57 0.00 0.00 179.45 177.05 3k1a n GLU 427 N -3.06 0.68 -0.14 3.15 4.71 -0.96 -4.74 120.64 120.28 3k1a n GLU 427 Ca 0.01 0.07 -0.11 0.00 -0.01 0.00 0.00 57.16 57.13 3k1a n GLU 427 Cb 0.34 -1.58 -0.06 0.00 -1.01 0.00 0.00 31.44 29.13 3k1a n GLU 427 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 3k1a h LYS 428 N 0.00 -0.33 0.00 3.49 3.64 -1.24 -2.63 116.57 119.51 3k1a h LYS 428 Ca -0.50 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3k1a h LYS 428 Cb 2.17 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 34.06 3k1a h LYS 428 CO 0.03 -0.22 0.00 0.74 -2.27 0.00 0.00 179.45 177.73 3k1a h PHE 429 N -0.34 0.00 0.06 1.91 0.04 -1.85 -2.64 116.94 114.12 3k1a h PHE 429 Ca 0.13 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 3k1a h PHE 429 Cb 0.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 3k1a h PHE 429 CO -0.66 0.00 -0.03 0.82 -0.60 0.00 0.00 178.31 177.84 3k1a h ILE 430 N 0.00 1.13 0.02 -0.55 2.04 -1.77 -3.06 117.51 115.33 3k1a h ILE 430 Ca 0.00 -0.63 -0.23 0.00 1.00 0.00 0.00 64.86 65.00 3k1a h ILE 430 Cb 0.74 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 3k1a h ILE 430 CO 0.00 0.16 -1.08 -0.26 0.00 0.00 0.00 178.15 176.97 3k1a h PHE 431 N -0.36 0.09 -0.94 1.37 0.04 -1.51 -2.66 116.94 112.96 3k1a h PHE 431 Ca -0.01 -0.06 0.05 0.00 2.80 0.00 0.00 57.97 60.75 3k1a h PHE 431 Cb 0.32 -0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.41 3k1a h PHE 431 CO 0.02 1.05 0.60 1.96 -0.60 0.00 0.00 178.31 181.34 3k1a h GLN 432 N 0.01 1.08 -0.11 1.51 4.20 -1.54 -0.57 115.11 119.70 3k1a h GLN 432 Ca -0.04 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 3k1a h GLN 432 Cb 1.82 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 29.34 3k1a h GLN 432 CO 0.14 0.72 -0.35 0.87 -0.67 0.00 0.00 178.83 179.54 3k1a h LYS 433 N 1.12 0.22 0.00 1.46 1.57 -1.41 -1.86 116.57 117.66 3k1a h LYS 433 Ca 0.40 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3k1a h LYS 433 Cb 0.11 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3k1a h LYS 433 CO -0.16 0.55 0.00 -1.33 -0.57 0.00 0.00 179.45 177.94 3k1a n MET 434 N -4.08 0.15 -0.68 3.15 2.81 -0.85 -4.90 117.12 112.72 3k1a n MET 434 Ca -0.01 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 3k1a n MET 434 Cb 0.43 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 3k1a n MET 434 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3k1a n GLY 435 N 0.38 0.64 3.64 3.03 0.00 -0.70 -5.05 105.19 107.13 3k1a n GLY 435 Ca 0.07 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 3k1a n GLY 435 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k1a s ILE 436 N -2.00 5.28 0.10 -0.61 1.09 -0.29 -4.98 121.20 119.79 3k1a s ILE 436 Ca 0.00 0.37 -0.36 0.00 -1.10 0.00 0.00 60.65 59.56 3k1a s ILE 436 Cb 0.00 -3.59 -0.17 0.00 -1.06 0.00 0.00 42.46 37.63 3k1a s ILE 436 CO 0.00 0.28 1.11 -2.65 -0.10 0.00 0.00 174.94 173.58 3k1a n PRO 437 N 4.63 0.67 -4.68 2.79 -0.02 -1.26 -3.65 135.00 133.48 3k1a n PRO 437 Ca -0.12 0.24 -0.24 0.00 -2.02 0.00 0.00 63.50 61.36 3k1a n PRO 437 Cb 0.52 -1.73 -0.16 0.00 -0.02 0.00 0.00 33.50 32.11 3k1a n PRO 437 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3k1a s PHE 438 N -0.03 1.39 -0.09 6.00 2.19 -1.26 -1.22 117.98 124.96 3k1a s PHE 438 Ca 0.81 -0.34 0.03 0.00 0.33 0.00 0.00 56.93 57.75 3k1a s PHE 438 Cb -1.02 -0.94 0.01 0.00 -1.31 0.00 0.00 43.02 39.76 3k1a s PHE 438 CO 0.53 -0.10 -0.18 1.03 1.83 0.00 0.00 175.22 178.33 3k1a s ARG 439 N -0.06 2.39 -0.14 10.12 1.81 0.05 -4.97 118.95 128.15 3k1a s ARG 439 Ca -0.00 -0.65 -0.29 0.00 -1.72 0.00 0.00 55.73 53.07 3k1a s ARG 439 Cb -0.09 -1.89 -0.04 0.00 -0.45 0.00 0.00 34.95 32.48 3k1a s ARG 439 CO 0.01 0.07 1.64 -1.21 -0.68 0.00 0.00 175.30 175.13 3k1a s GLU 440 N 0.60 3.97 -0.02 3.54 2.02 -1.26 -2.26 118.70 125.29 3k1a s GLU 440 Ca -0.15 1.93 0.18 0.00 0.02 0.00 0.00 54.97 56.96 3k1a s GLU 440 Cb -0.17 -4.01 0.55 0.00 0.10 0.00 0.00 34.13 30.61 3k1a s GLU 440 CO 0.05 -1.09 1.47 -1.33 0.02 0.00 0.00 175.26 174.38 3k1a n MET 441 N 7.40 2.93 -0.05 1.61 2.81 0.10 -2.46 117.12 129.47 3k1a n MET 441 Ca 0.18 -2.53 -0.05 0.00 -1.81 0.00 0.00 57.70 53.50 3k1a n MET 441 Cb 0.44 -1.54 -0.02 0.00 -0.71 0.00 0.00 33.22 31.40 3k1a n MET 441 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3k1a n HIS 442 N 1.17 0.15 1.46 2.03 8.25 -1.25 -4.71 115.22 122.32 3k1a n HIS 442 Ca 0.21 0.07 0.14 0.00 -0.26 0.00 0.00 57.72 57.88 3k1a n HIS 442 Cb 0.61 -0.38 0.67 0.00 1.12 0.00 0.00 29.99 32.01 3k1a n HIS 442 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3k1a n SER 443 N -3.74 0.34 -1.90 0.41 3.41 -1.26 -4.90 113.62 105.98 3k1a n SER 443 Ca -0.08 -0.52 -0.19 0.00 -0.26 0.00 0.00 58.87 57.82 3k1a n SER 443 Cb 0.29 -0.12 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 3k1a n SER 443 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3k1a n TRP 444 N -1.02 -0.53 -4.14 7.33 5.03 -1.03 -2.20 117.44 120.88 3k1a n TRP 444 Ca 0.15 0.00 -0.32 0.00 3.03 0.00 0.00 57.50 60.36 3k1a n TRP 444 Cb 0.26 -3.55 -0.03 0.00 -1.03 0.00 0.00 31.31 26.96 3k1a n TRP 444 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 3k1a n ASP 445 N -1.46 -2.02 -1.24 -0.99 8.00 -1.15 -1.09 116.55 116.61 3k1a n ASP 445 Ca -0.21 -1.03 -0.15 0.00 0.71 0.00 0.00 54.79 54.11 3k1a n ASP 445 Cb 0.66 -2.77 -0.05 0.00 -0.02 0.00 0.00 41.12 38.94 3k1a n ASP 445 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3k1a n TYR 446 N -4.40 -0.14 -3.47 1.24 4.01 -0.93 -4.96 117.16 108.49 3k1a n TYR 446 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3k1a n TYR 446 Cb 0.57 -2.70 0.00 0.00 -0.31 0.00 0.00 39.34 36.90 3k1a n TYR 446 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3k1a n SER 447 N -0.46 1.66 0.00 7.72 2.88 -0.25 -5.12 113.62 120.04 3k1a n SER 447 Ca -0.15 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 56.91 3k1a n SER 447 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 3k1a n SER 447 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k1a n GLY 448 N 4.15 -3.23 3.71 0.46 0.00 -1.26 -4.70 105.19 104.32 3k1a n GLY 448 Ca 0.00 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 3k1a n GLY 448 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k1a s PRO 449 N -0.60 1.42 -0.00 1.61 0.04 -0.99 -4.92 135.00 131.57 3k1a s PRO 449 Ca 0.00 1.19 0.09 0.00 0.04 0.00 0.00 61.00 62.32 3k1a s PRO 449 Cb 0.00 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 3k1a s PRO 449 CO 0.00 -2.23 0.39 0.66 0.04 0.00 0.00 177.00 175.86 3k1a n TYR 450 N -3.92 0.00 -2.74 0.56 4.02 -1.26 -4.29 117.16 109.53 3k1a n TYR 450 Ca 0.09 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.61 3k1a n TYR 450 Cb 0.53 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.78 3k1a n TYR 450 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 3k1a s HIS 451 N -1.91 3.60 0.00 -0.72 3.76 -1.26 -3.78 115.29 114.98 3k1a s HIS 451 Ca 0.03 1.75 0.00 0.00 -0.15 0.00 0.00 55.06 56.69 3k1a s HIS 451 Cb 0.07 -2.96 0.00 0.00 1.11 0.00 0.00 32.58 30.80 3k1a s HIS 451 CO 0.38 0.04 0.00 0.41 -0.85 0.00 0.00 174.74 174.72 3k1a n GLY 452 N 0.48 -1.95 0.18 -2.22 0.00 0.38 -2.09 105.19 99.96 3k1a n GLY 452 Ca 0.03 -1.45 -0.18 0.00 0.00 0.00 0.00 46.02 44.42 3k1a n GLY 452 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3k1a h PHE 453 N 0.00 0.84 0.00 1.61 0.04 -1.87 -2.60 116.94 114.95 3k1a h PHE 453 Ca 0.00 -0.41 -0.07 0.00 2.80 0.00 0.00 57.97 60.30 3k1a h PHE 453 Cb 0.00 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 3k1a h PHE 453 CO 0.00 1.22 -0.32 -0.44 -0.60 0.00 0.00 178.31 178.17 3k1a h ASP 454 N 0.21 0.00 -0.25 2.17 3.32 -1.90 -2.99 116.42 116.99 3k1a h ASP 454 Ca -0.07 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.80 3k1a h ASP 454 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3k1a h ASP 454 CO 0.14 0.32 -0.56 1.23 -1.72 0.00 0.00 179.24 178.65 3k1a h GLY 455 N 1.25 0.93 1.01 2.75 0.00 -1.41 -3.30 103.07 104.31 3k1a h GLY 455 Ca -0.00 -1.10 0.04 0.00 0.00 0.00 0.00 47.33 46.27 3k1a h GLY 455 CO 0.04 0.98 0.58 -2.75 0.00 0.00 0.00 176.54 175.39 3k1a h PHE 456 N 0.65 1.06 -0.48 5.60 3.57 -1.31 0.48 116.94 126.51 3k1a h PHE 456 Ca 0.01 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.55 3k1a h PHE 456 Cb 1.17 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 3k1a h PHE 456 CO 0.07 0.61 0.29 0.00 -2.23 0.00 0.00 178.31 177.06 3k1a h ALA 457 N 1.49 0.61 -0.12 2.41 0.00 -1.63 0.63 119.26 122.66 3k1a h ALA 457 Ca 0.35 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3k1a h ALA 457 Cb 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3k1a h ALA 457 CO -0.10 -0.00 -0.05 0.82 0.00 0.00 0.00 179.25 179.91 3k1a h ILE 458 N 0.59 1.31 -0.30 0.00 2.04 -1.49 -2.21 117.51 117.45 3k1a h ILE 458 Ca 0.19 -1.07 0.06 0.00 1.00 0.00 0.00 64.86 65.04 3k1a h ILE 458 Cb -0.01 1.78 -0.08 0.00 -0.74 0.00 0.00 36.82 37.77 3k1a h ILE 458 CO -0.07 0.31 -0.41 0.15 0.00 0.00 0.00 178.15 178.13 3k1a h PHE 459 N -0.10 -1.17 -0.28 1.37 3.57 -0.83 -0.71 116.94 118.79 3k1a h PHE 459 Ca 0.03 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.61 3k1a h PHE 459 Cb 0.51 0.55 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 3k1a h PHE 459 CO 0.06 -0.44 0.11 0.00 -2.23 0.00 0.00 178.31 175.81 3k1a h ALA 460 N 0.37 0.32 0.00 2.41 0.00 -0.81 -0.48 119.26 121.06 3k1a h ALA 460 Ca 0.12 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3k1a h ALA 460 Cb 0.59 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3k1a h ALA 460 CO -0.50 -0.30 -0.43 0.07 0.00 0.00 0.00 179.25 178.10 3k1a h ARG 461 N 0.24 0.00 -0.18 0.00 -0.00 -1.30 -2.00 114.38 111.13 3k1a h ARG 461 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 60.06 3k1a h ARG 461 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.04 3k1a h ARG 461 CO -0.11 0.43 -0.04 -0.44 -0.00 0.00 0.00 179.97 179.80 3k1a h ASP 462 N 0.00 0.34 -0.59 0.08 3.32 -0.47 -0.97 116.42 118.13 3k1a h ASP 462 Ca -0.00 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.64 3k1a h ASP 462 Cb 0.79 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 3k1a h ASP 462 CO 0.06 0.63 0.21 0.24 -1.72 0.00 0.00 179.24 178.65 3k1a h MET 463 N 0.06 0.91 -0.20 3.56 2.86 -0.99 -2.89 114.93 118.23 3k1a h MET 463 Ca 0.05 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3k1a h MET 463 Cb 0.47 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3k1a h MET 463 CO 0.02 0.79 0.06 0.22 1.06 0.00 0.00 176.91 179.06 3k1a h ASP 464 N 0.83 0.30 -0.02 1.22 3.58 -1.40 -0.96 116.42 119.97 3k1a h ASP 464 Ca 0.19 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 3k1a h ASP 464 Cb 0.25 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 3k1a h ASP 464 CO -0.01 0.43 -0.04 0.00 -2.88 0.00 0.00 179.24 176.74 3k1a h MET 465 N 0.15 0.17 0.00 0.28 -0.00 -1.08 -1.14 114.93 113.31 3k1a h MET 465 Ca 0.07 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.70 59.68 3k1a h MET 465 Cb 0.24 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.80 3k1a h MET 465 CO -0.00 0.22 -0.64 1.15 -0.00 0.00 0.00 176.91 177.64 3k1a h THR 466 N 0.17 0.31 -0.78 -0.10 2.02 -1.49 -3.15 112.91 109.89 3k1a h THR 466 Ca 0.04 -1.37 0.13 0.00 0.77 0.00 0.00 66.41 65.98 3k1a h THR 466 Cb 0.18 0.73 -0.09 0.00 -1.74 0.00 0.00 68.15 67.23 3k1a h THR 466 CO 0.01 0.11 0.36 0.25 0.37 0.00 0.00 175.52 176.62 3k1a h LEU 467 N -1.00 0.42 -3.41 2.58 5.85 -1.20 -2.16 115.31 116.38 3k1a h LEU 467 Ca -0.09 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3k1a h LEU 467 Cb 0.69 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3k1a h LEU 467 CO -0.06 0.19 0.00 0.59 -0.34 0.00 0.00 178.44 178.82 3k1a n ASN 468 N -4.92 5.48 -4.76 1.25 3.02 -0.43 -4.93 115.26 109.97 3k1a n ASN 468 Ca 0.15 -2.86 -0.41 0.00 -0.03 0.00 0.00 54.58 51.43 3k1a n ASN 468 Cb 0.39 -0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 3k1a n ASN 468 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3k1a s ASN 469 N -0.75 6.92 0.59 6.41 3.84 -0.81 -4.92 114.94 126.21 3k1a s ASN 469 Ca 0.52 2.51 0.29 0.00 0.21 0.00 0.00 52.86 56.38 3k1a s ASN 469 Cb 0.39 -2.63 1.63 0.00 -0.55 0.00 0.00 41.25 40.09 3k1a s ASN 469 CO 0.16 -0.45 2.07 1.55 -2.79 0.00 0.00 177.10 177.64 3k1a h PRO 470 N 4.12 0.00 0.00 0.43 0.13 -1.91 -2.98 132.00 131.79 3k1a h PRO 470 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3k1a h PRO 470 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 3k1a h PRO 470 CO 0.70 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.42 3k1a h TRP 472 N 0.00 0.00 -0.00 0.00 4.06 -1.90 -2.57 115.95 115.54 3k1a h TRP 472 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3k1a h TRP 472 Cb 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.29 3k1a h TRP 472 CO 0.00 0.00 -0.04 1.63 -3.56 0.00 0.00 178.44 176.47 3k1a n LYS 473 N -2.69 0.13 -0.34 0.49 4.76 -1.05 -4.22 118.16 115.23 3k1a n LYS 473 Ca 0.03 -0.01 0.08 0.00 -2.87 0.00 0.00 58.31 55.54 3k1a n LYS 473 Cb 0.38 -1.50 0.22 0.00 -1.84 0.00 0.00 35.03 32.28 3k1a n LYS 473 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3k1a n LYS 474 N -1.42 2.28 -0.12 1.97 4.76 -0.97 -4.69 118.16 119.97 3k1a n LYS 474 Ca 0.09 -2.79 -0.12 0.00 -2.87 0.00 0.00 58.31 52.62 3k1a n LYS 474 Cb 0.31 -1.73 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 3k1a n LYS 474 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3k1a h LEU 475 N 1.13 0.79 -9.46 -0.35 -0.00 -1.73 -3.43 115.31 102.25 3k1a h LEU 475 Ca 0.01 -0.41 -0.59 0.00 -0.00 0.00 0.00 57.88 56.90 3k1a h LEU 475 Cb 1.30 -0.22 -0.07 0.00 -0.00 0.00 0.00 40.66 41.67 3k1a h LEU 475 CO 0.16 1.03 -0.17 -1.58 -0.00 0.00 0.00 178.44 177.87 3k1a s GLN 476 N -4.60 4.18 0.35 1.13 0.74 -1.26 -5.07 119.66 115.13 3k1a s GLN 476 Ca -0.12 0.42 -0.27 0.00 0.05 0.00 0.00 55.36 55.43 3k1a s GLN 476 Cb 0.10 -3.35 -0.09 0.00 1.10 0.00 0.00 33.01 30.76 3k1a s GLN 476 CO 0.83 0.37 1.18 0.00 -0.55 0.00 0.00 175.29 177.12 3k1a s ALA 477 N -0.06 3.30 -1.67 1.58 0.00 -1.26 -4.91 121.76 118.73 3k1a s ALA 477 Ca 0.24 1.00 0.08 0.00 0.00 0.00 0.00 51.96 53.29 3k1a s ALA 477 Cb -0.16 -3.38 0.43 0.00 0.00 0.00 0.00 23.12 20.01 3k1a s ALA 477 CO 0.11 -0.44 1.04 -0.35 0.00 0.00 0.00 175.76 176.11 3k1a n PRO 478 N 0.53 0.17 -0.10 0.00 -0.04 -1.26 -0.65 135.00 133.65 3k1a n PRO 478 Ca 0.02 0.12 0.03 0.00 -0.04 0.00 0.00 63.50 63.63 3k1a n PRO 478 Cb 0.45 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.50 3k1a n PRO 478 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3k1a n TRP 479 N -1.16 0.27 -0.59 0.54 2.14 -1.26 -5.33 117.44 112.05 3k1a n TRP 479 Ca 0.05 -0.49 0.00 0.00 2.07 0.00 0.00 57.50 59.12 3k1a n TRP 479 Cb 0.05 -0.04 0.00 0.00 -0.81 0.00 0.00 31.31 30.51 3k1a n TRP 479 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15