#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qka s ASP 2 N 0.00 5.21 -0.14 0.00 1.01 -1.26 -4.81 116.67 116.68 1qka s ASP 2 Ca 0.00 -2.48 -0.29 0.00 0.71 0.00 0.00 52.55 50.49 1qka s ASP 2 Cb 0.00 -1.83 -0.02 0.00 1.01 0.00 0.00 42.92 42.08 1qka s ASP 2 CO 0.00 -0.44 1.25 -0.69 0.21 0.00 0.00 175.17 175.49 1qka s VAL 3 N 0.48 4.27 0.47 -1.27 1.01 -1.26 -5.00 120.40 119.11 1qka s VAL 3 Ca 0.13 1.56 -0.24 0.00 0.00 0.00 0.00 61.98 63.43 1qka s VAL 3 Cb -0.22 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 1qka s VAL 3 CO -0.04 -0.10 1.29 -2.65 0.00 0.00 0.00 175.10 173.60 1qka n PRO 4 N 6.25 1.85 -1.70 2.72 -0.02 -1.26 -4.91 135.00 137.93 1qka n PRO 4 Ca 0.13 0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 61.86 1qka n PRO 4 Cb 0.45 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1qka n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qka n ALA 5 N -0.50 1.29 0.00 3.55 0.00 -1.26 -1.95 120.51 121.64 1qka n ALA 5 Ca 0.08 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1qka n ALA 5 Cb 0.42 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1qka n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qka n GLY 6 N 0.80 3.03 3.73 0.00 0.00 -1.26 -5.01 105.19 106.48 1qka n GLY 6 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1qka n GLY 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qka s VAL 7 N -1.83 2.84 -0.23 1.61 1.01 -0.82 -4.99 120.40 117.99 1qka s VAL 7 Ca 0.00 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 1qka s VAL 7 Cb 0.00 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1qka s VAL 7 CO 0.00 0.09 0.48 -1.10 0.00 0.00 0.00 175.10 174.56 1qka s GLN 8 N 0.17 4.12 0.36 2.72 -0.21 -1.26 -4.98 119.66 120.59 1qka s GLN 8 Ca 0.62 0.30 -0.20 0.00 0.02 0.00 0.00 55.36 56.09 1qka s GLN 8 Cb -0.41 -3.60 -0.10 0.00 1.00 0.00 0.00 33.01 29.91 1qka s GLN 8 CO 0.38 -0.21 0.87 -0.51 -2.12 0.00 0.00 175.29 173.70 1qka s LEU 9 N 1.85 4.08 0.62 2.90 1.43 -1.26 -0.50 118.68 127.80 1qka s LEU 9 Ca 0.21 1.57 -0.17 0.00 -1.03 0.00 0.00 54.13 54.72 1qka s LEU 9 Cb -0.15 -4.24 -0.02 0.00 0.03 0.00 0.00 46.19 41.81 1qka s LEU 9 CO 0.09 -0.23 1.12 0.00 0.23 0.00 0.00 176.35 177.56 1qka s ALA 10 N -1.97 2.54 0.17 4.21 0.00 0.35 -4.25 121.76 122.80 1qka s ALA 10 Ca 0.56 0.67 -0.12 0.00 0.00 0.00 0.00 51.96 53.08 1qka s ALA 10 Cb -0.12 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.72 1qka s ALA 10 CO 0.17 -1.12 1.67 -0.44 0.00 0.00 0.00 175.76 176.04 1qka h ASP 11 N 0.45 0.87 -3.68 0.00 3.32 -1.96 -3.40 116.42 112.03 1qka h ASP 11 Ca -0.48 -0.24 -0.68 0.00 0.02 0.00 0.00 57.03 55.65 1qka h ASP 11 Cb 1.26 -0.23 -0.19 0.00 0.22 0.00 0.00 39.33 40.38 1qka h ASP 11 CO 0.55 0.89 -0.47 -0.75 -1.72 0.00 0.00 179.24 177.73 1qka s LYS 12 N -5.28 3.40 -1.12 3.56 2.47 -1.26 -5.01 119.74 116.50 1qka s LYS 12 Ca -0.13 -0.71 -0.08 0.00 -1.56 0.00 0.00 55.97 53.49 1qka s LYS 12 Cb 0.13 -3.82 0.28 0.00 -1.46 0.00 0.00 37.83 32.95 1qka s LYS 12 CO 0.81 -0.49 1.19 1.04 0.16 0.00 0.00 175.35 178.06 1qka n GLN 13 N 5.11 3.68 -4.22 4.03 1.13 -1.26 -4.91 117.38 120.94 1qka n GLN 13 Ca -0.12 -4.44 -0.19 0.00 -1.94 0.00 0.00 57.00 50.30 1qka n GLN 13 Cb 0.49 -2.57 -0.12 0.00 0.11 0.00 0.00 30.24 28.15 1qka n GLN 13 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1qka s THR 14 N -1.38 1.32 0.01 5.09 -4.23 -1.26 -0.30 115.64 114.89 1qka s THR 14 Ca 0.32 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 59.36 1qka s THR 14 Cb -0.07 -1.32 -0.01 0.00 1.34 0.00 0.00 72.50 72.44 1qka s THR 14 CO -0.05 -0.24 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.52 1qka s LEU 15 N -1.99 2.11 -0.13 4.79 2.96 -0.53 -4.95 118.68 120.94 1qka s LEU 15 Ca 0.03 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1qka s LEU 15 Cb -0.08 -0.14 0.02 0.00 0.50 0.00 0.00 46.19 46.48 1qka s LEU 15 CO 0.03 -0.07 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.16 1qka s VAL 16 N -0.64 1.49 -0.02 1.68 1.01 -1.26 -0.82 120.40 121.83 1qka s VAL 16 Ca -0.04 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1qka s VAL 16 Cb -0.05 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1qka s VAL 16 CO -0.00 0.44 -0.25 -0.13 0.00 0.00 0.00 175.10 175.17 1qka s ARG 17 N 1.40 2.15 0.37 2.72 0.52 0.25 -1.15 118.95 125.21 1qka s ARG 17 Ca 0.02 -0.91 -0.19 0.00 -0.52 0.00 0.00 55.73 54.13 1qka s ARG 17 Cb -0.13 -2.08 -0.10 0.00 0.52 0.00 0.00 34.95 33.16 1qka s ARG 17 CO -0.08 0.57 0.86 1.21 0.02 0.00 0.00 175.30 177.88 1qka s ASN 18 N -0.63 6.93 -0.06 0.23 2.47 -0.33 -0.97 114.94 122.58 1qka s ASN 18 Ca 0.10 1.55 0.10 0.00 0.42 0.00 0.00 52.86 55.03 1qka s ASN 18 Cb -0.10 -2.48 0.16 0.00 -1.45 0.00 0.00 41.25 37.38 1qka s ASN 18 CO -0.01 -0.25 1.08 -3.20 -3.72 0.00 0.00 177.10 171.00 1qka n ASN 19 N -0.33 1.12 0.00 -4.21 5.15 0.13 -3.52 115.26 113.60 1qka n ASN 19 Ca 0.05 -2.54 0.00 0.00 -0.60 0.00 0.00 54.58 51.49 1qka n ASN 19 Cb 0.53 -0.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 1qka n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qka n GLY 20 N -0.65 0.80 3.81 8.20 0.00 -1.25 -4.57 105.19 111.53 1qka n GLY 20 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 1qka n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qka s SER 21 N 0.00 -0.14 0.25 1.61 0.15 -1.26 -2.90 113.70 111.42 1qka s SER 21 Ca 0.00 -0.60 -0.30 0.00 0.70 0.00 0.00 55.95 55.75 1qka s SER 21 Cb 0.00 0.60 -0.09 0.00 -1.71 0.00 0.00 66.02 64.81 1qka s SER 21 CO 0.00 -1.13 1.25 -0.70 1.20 0.00 0.00 173.24 173.86 1qka s GLU 22 N -3.09 4.45 0.61 5.44 2.56 -1.26 -4.50 118.70 122.91 1qka s GLU 22 Ca 0.14 2.02 -0.16 0.00 0.00 0.00 0.00 54.97 56.97 1qka s GLU 22 Cb -0.03 -3.16 -0.02 0.00 2.00 0.00 0.00 34.13 32.91 1qka s GLU 22 CO 0.05 -0.11 1.09 0.14 -0.56 0.00 0.00 175.26 175.87 1qka s VAL 23 N -0.53 3.45 0.24 3.70 -7.23 -1.26 -4.58 120.40 114.19 1qka s VAL 23 Ca 0.51 0.72 -0.06 0.00 -1.81 0.00 0.00 61.98 61.35 1qka s VAL 23 Cb -0.36 -3.24 0.20 0.00 0.56 0.00 0.00 36.38 33.54 1qka s VAL 23 CO 0.43 -0.37 1.85 1.56 -0.31 0.00 0.00 175.10 178.26 1qka h GLN 24 N 0.41 1.18 -1.50 4.82 4.20 -1.94 -3.47 115.11 118.80 1qka h GLN 24 Ca -0.47 -0.15 0.29 0.00 0.06 0.00 0.00 58.65 58.38 1qka h GLN 24 Cb 1.24 -0.22 -0.14 0.00 0.30 0.00 0.00 27.48 28.65 1qka h GLN 24 CO 0.56 0.89 0.80 0.45 -0.67 0.00 0.00 178.83 180.86 1qka s SER 25 N -6.31 -0.09 0.00 1.46 0.15 -1.26 -5.01 113.70 102.64 1qka s SER 25 Ca -0.12 -0.10 0.15 0.00 0.70 0.00 0.00 55.95 56.58 1qka s SER 25 Cb 0.17 0.17 0.19 0.00 -1.71 0.00 0.00 66.02 64.84 1qka s SER 25 CO 0.82 -0.31 1.07 0.18 1.20 0.00 0.00 173.24 176.21 1qka n LEU 26 N -0.36 2.52 -4.62 3.45 4.77 -1.26 -4.91 117.00 116.59 1qka n LEU 26 Ca -0.06 -1.22 -0.43 0.00 -0.03 0.00 0.00 56.01 54.28 1qka n LEU 26 Cb 0.61 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1qka n LEU 26 CO 0.11 0.50 0.81 -0.62 -1.33 0.00 0.00 177.39 176.87 1qka s ASP 27 N -1.24 6.78 0.61 -1.43 -1.08 -1.26 -4.94 116.67 114.12 1qka s ASP 27 Ca 0.21 0.80 0.29 0.00 -0.52 0.00 0.00 52.55 53.33 1qka s ASP 27 Cb 0.14 -2.49 1.54 0.00 -1.46 0.00 0.00 42.92 40.65 1qka s ASP 27 CO 0.20 -0.82 1.93 -0.65 0.52 0.00 0.00 175.17 176.35 1qka h PRO 28 N 8.25 0.00 -0.01 4.34 0.11 -1.91 0.42 132.00 143.18 1qka h PRO 28 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1qka h PRO 28 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1qka h PRO 28 CO 0.99 0.00 -0.09 0.72 -0.21 0.00 0.00 178.00 179.41 1qka n HIS 29 N -3.52 0.00 -0.10 0.65 8.25 -1.26 -4.07 115.22 115.17 1qka n HIS 29 Ca 0.05 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.54 1qka n HIS 29 Cb 0.54 -0.03 0.09 0.00 1.12 0.00 0.00 29.99 31.71 1qka n HIS 29 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1qka n LYS 30 N 0.03 2.84 -4.30 -0.41 4.76 0.13 -4.23 118.16 116.98 1qka n LYS 30 Ca 0.16 -1.81 -0.25 0.00 -2.87 0.00 0.00 58.31 53.54 1qka n LYS 30 Cb 0.38 -1.17 -0.09 0.00 -1.84 0.00 0.00 35.03 32.32 1qka n LYS 30 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1qka s ILE 31 N -0.99 3.24 0.00 -0.18 -4.36 -1.22 -4.72 121.20 112.97 1qka s ILE 31 Ca 0.14 -1.78 0.00 0.00 -0.26 0.00 0.00 60.65 58.75 1qka s ILE 31 Cb 0.07 -2.65 0.00 0.00 1.25 0.00 0.00 42.46 41.13 1qka s ILE 31 CO 0.10 -0.21 0.00 1.21 0.24 0.00 0.00 174.94 176.27 1qka n GLU 32 N -0.30 0.00 -4.43 0.37 2.13 -1.26 -4.62 120.64 112.53 1qka n GLU 32 Ca -0.09 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.42 1qka n GLU 32 Cb 0.57 -0.23 -0.05 0.00 0.27 0.00 0.00 31.44 31.99 1qka n GLU 32 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1qka s GLY 33 N 0.00 2.79 0.09 8.31 0.00 -1.26 -5.01 107.32 112.23 1qka s GLY 33 Ca 0.00 -0.68 -0.19 0.00 0.00 0.00 0.00 44.72 43.85 1qka s GLY 33 CO 0.00 -2.10 1.58 -2.08 0.00 0.00 0.00 173.10 170.50 1qka h VAL 34 N 1.12 1.21 -0.99 1.40 2.07 -1.99 0.42 116.25 119.48 1qka h VAL 34 Ca -0.41 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 66.48 1qka h VAL 34 Cb 1.31 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 32.24 1qka h VAL 34 CO 0.68 0.22 0.64 -0.65 0.02 0.00 0.00 177.57 178.48 1qka h PRO 35 N 0.19 1.15 -0.32 1.57 0.11 -1.96 0.18 132.00 132.92 1qka h PRO 35 Ca 0.07 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 1qka h PRO 35 Cb 0.28 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 1qka h PRO 35 CO 0.00 0.76 -0.24 0.93 -0.21 0.00 0.00 178.00 179.24 1qka h GLU 36 N 1.18 0.73 -0.05 1.05 3.07 -1.87 -2.99 114.58 115.71 1qka h GLU 36 Ca 0.42 -0.36 -0.10 0.00 -0.50 0.00 0.00 59.36 58.82 1qka h GLU 36 Cb 0.13 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1qka h GLU 36 CO -0.16 0.97 -0.45 0.77 -1.40 0.00 0.00 179.01 178.75 1qka h SER 37 N 0.49 0.12 -0.46 1.42 0.02 -0.06 -0.99 113.55 114.10 1qka h SER 37 Ca 0.06 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1qka h SER 37 Cb 0.80 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 1qka h SER 37 CO 0.06 0.56 0.25 0.78 -1.14 0.00 0.00 176.83 177.34 1qka h ASN 38 N 0.10 0.37 -0.02 3.07 2.35 -0.53 -1.52 115.58 119.40 1qka h ASN 38 Ca 0.01 0.02 -0.21 0.00 -0.55 0.00 0.00 56.30 55.57 1qka h ASN 38 Cb 0.83 -0.06 0.02 0.00 0.05 0.00 0.00 38.32 39.16 1qka h ASN 38 CO 0.06 0.26 -0.79 0.58 -1.65 0.00 0.00 177.43 175.89 1qka h VAL 39 N 0.49 1.35 -1.00 2.81 2.07 -1.46 -3.33 116.25 117.17 1qka h VAL 39 Ca 0.19 -2.13 0.14 0.00 0.82 0.00 0.00 66.70 65.73 1qka h VAL 39 Cb 0.07 2.44 -0.09 0.00 -1.52 0.00 0.00 31.29 32.20 1qka h VAL 39 CO -0.12 0.64 0.63 -1.28 0.02 0.00 0.00 177.57 177.46 1qka h SER 40 N 0.16 0.89 0.00 0.57 0.87 -0.86 -1.77 113.55 113.42 1qka h SER 40 Ca -0.09 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1qka h SER 40 Cb 1.47 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 1qka h SER 40 CO 0.16 0.44 -0.05 0.03 -0.53 0.00 0.00 176.83 176.88 1qka h ARG 41 N 0.94 0.13 0.00 2.24 3.08 -1.39 0.56 114.38 119.93 1qka h ARG 41 Ca 0.52 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.47 1qka h ARG 41 Cb 0.59 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1qka h ARG 41 CO -0.29 0.19 -0.39 -0.44 -1.07 0.00 0.00 179.97 177.96 1qka h ASP 42 N 0.12 0.00 0.00 7.04 3.32 -1.48 -3.39 116.42 122.03 1qka h ASP 42 Ca 0.03 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.72 1qka h ASP 42 Cb 0.17 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.66 1qka h ASP 42 CO 0.01 0.39 -2.38 0.18 -1.72 0.00 0.00 179.24 175.72 1qka n LEU 43 N -3.31 2.50 -4.17 1.55 4.77 -0.64 -1.39 117.00 116.30 1qka n LEU 43 Ca 0.01 -0.11 -0.30 0.00 -0.03 0.00 0.00 56.01 55.58 1qka n LEU 43 Cb 0.62 -0.64 -0.17 0.00 -2.33 0.00 0.00 43.42 40.90 1qka n LEU 43 CO 0.38 0.84 -0.54 -0.36 -1.33 0.00 0.00 177.39 176.39 1qka s PHE 44 N -2.48 2.24 -0.14 -1.77 0.08 0.10 -0.06 117.98 115.93 1qka s PHE 44 Ca -0.29 -0.87 0.02 0.00 0.12 0.00 0.00 56.93 55.92 1qka s PHE 44 Cb 0.08 -1.51 0.01 0.00 -0.57 0.00 0.00 43.02 41.03 1qka s PHE 44 CO 0.60 -0.35 -0.21 -2.00 -0.10 0.00 0.00 175.22 173.15 1qka s GLU 45 N 0.35 3.03 0.00 0.44 2.12 -1.26 -4.54 118.70 118.84 1qka s GLU 45 Ca -0.16 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.33 1qka s GLU 45 Cb -0.17 -2.46 0.00 0.00 0.26 0.00 0.00 34.13 31.76 1qka s GLU 45 CO 0.07 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 1qka n GLY 46 N 4.12 0.23 0.11 -1.50 0.00 -1.26 -4.37 105.19 102.52 1qka n GLY 46 Ca -0.20 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 1qka n GLY 46 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qka h LEU 47 N 0.00 0.23 -9.14 0.99 3.38 -1.81 -0.64 115.31 108.32 1qka h LEU 47 Ca 0.00 -0.09 -0.56 0.00 0.09 0.00 0.00 57.88 57.32 1qka h LEU 47 Cb 0.00 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 40.55 1qka h LEU 47 CO 0.00 0.25 -0.74 -0.76 0.09 0.00 0.00 178.44 177.29 1qka s LEU 48 N -10.00 2.59 0.20 1.67 1.02 -1.26 -1.27 118.68 111.64 1qka s LEU 48 Ca -0.13 -1.06 0.02 0.00 0.02 0.00 0.00 54.13 52.98 1qka s LEU 48 Cb 0.08 -0.94 -0.05 0.00 0.02 0.00 0.00 46.19 45.30 1qka s LEU 48 CO 0.70 -0.07 0.03 0.27 0.02 0.00 0.00 176.35 177.29 1qka s ILE 49 N -2.69 0.69 0.24 -0.59 -4.36 0.14 -4.10 121.20 110.53 1qka s ILE 49 Ca 0.28 -1.99 -0.24 0.00 -0.26 0.00 0.00 60.65 58.44 1qka s ILE 49 Cb -0.02 -2.28 -0.09 0.00 1.25 0.00 0.00 42.46 41.32 1qka s ILE 49 CO 0.13 -0.33 0.82 -0.44 0.24 0.00 0.00 174.94 175.35 1qka s SER 50 N -3.22 7.27 1.02 4.36 0.01 -1.26 0.32 113.70 122.19 1qka s SER 50 Ca 0.28 1.64 -0.06 0.00 1.31 0.00 0.00 55.95 59.12 1qka s SER 50 Cb 0.06 -2.50 0.08 0.00 0.21 0.00 0.00 66.02 63.88 1qka s SER 50 CO 0.07 0.05 0.45 -0.90 0.41 0.00 0.00 173.24 173.33 1qka n ASP 51 N 0.94 -0.24 0.22 2.44 5.68 -0.03 -4.81 116.55 120.76 1qka n ASP 51 Ca -0.02 -1.09 0.15 0.00 -0.50 0.00 0.00 54.79 53.34 1qka n ASP 51 Cb 0.50 -0.36 0.78 0.00 -1.14 0.00 0.00 41.12 40.90 1qka n ASP 51 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1qka h VAL 52 N -1.40 0.00 -0.20 2.12 -1.51 -1.94 -0.72 116.25 112.60 1qka h VAL 52 Ca -0.15 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 1qka h VAL 52 Cb 0.42 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1qka h VAL 52 CO 0.10 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 175.82 1qka n GLU 53 N -2.55 2.00 -0.10 5.19 1.02 -1.26 -4.64 120.64 120.30 1qka n GLU 53 Ca -0.01 -1.89 0.00 0.00 -0.02 0.00 0.00 57.16 55.24 1qka n GLU 53 Cb 0.08 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 1qka n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qka n GLY 54 N 1.13 0.52 3.76 0.62 0.00 -0.28 -3.71 105.19 107.24 1qka n GLY 54 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1qka n GLY 54 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qka s HIS 55 N -2.22 3.65 0.24 1.61 3.76 -1.26 -4.60 115.29 116.46 1qka s HIS 55 Ca 0.00 1.76 -0.31 0.00 -0.15 0.00 0.00 55.06 56.36 1qka s HIS 55 Cb 0.00 -3.14 -0.12 0.00 1.11 0.00 0.00 32.58 30.43 1qka s HIS 55 CO 0.00 -0.21 1.64 -2.30 -0.85 0.00 0.00 174.74 173.02 1qka n PRO 56 N 0.99 2.61 -4.06 8.40 -0.02 -1.26 -0.85 135.00 140.82 1qka n PRO 56 Ca -0.00 0.94 -0.11 0.00 -2.02 0.00 0.00 63.50 62.31 1qka n PRO 56 Cb 0.47 -2.74 -0.06 0.00 -0.02 0.00 0.00 33.50 31.15 1qka n PRO 56 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1qka s SER 57 N 0.83 0.19 0.26 2.55 0.01 0.15 -4.83 113.70 112.84 1qka s SER 57 Ca 0.71 -1.15 -0.31 0.00 1.31 0.00 0.00 55.95 56.51 1qka s SER 57 Cb -0.54 0.57 -0.12 0.00 0.21 0.00 0.00 66.02 66.14 1qka s SER 57 CO 0.40 -1.12 1.62 -2.65 0.41 0.00 0.00 173.24 171.90 1qka n PRO 58 N -0.40 2.63 0.00 12.44 -0.02 -1.26 -0.68 135.00 147.70 1qka n PRO 58 Ca -0.00 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1qka n PRO 58 Cb 0.63 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1qka n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qka n GLY 59 N 2.77 1.59 0.27 -1.23 0.00 -0.39 -4.28 105.19 103.92 1qka n GLY 59 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 1qka n GLY 59 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1qka h VAL 60 N 0.00 1.20 -3.29 1.61 2.07 -0.86 -3.41 116.25 113.58 1qka h VAL 60 Ca 0.00 -0.77 -0.56 0.00 0.82 0.00 0.00 66.70 66.19 1qka h VAL 60 Cb 0.00 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1qka h VAL 60 CO 0.00 0.27 0.52 0.00 0.02 0.00 0.00 177.57 178.38 1qka s ALA 61 N -4.99 3.37 -0.14 1.67 0.00 -0.49 -0.75 121.76 120.43 1qka s ALA 61 Ca -0.08 0.39 0.19 0.00 0.00 0.00 0.00 51.96 52.46 1qka s ALA 61 Cb 0.15 -3.41 -0.15 0.00 0.00 0.00 0.00 23.12 19.71 1qka s ALA 61 CO 0.77 -0.54 0.74 -0.85 0.00 0.00 0.00 175.76 175.87 1qka n GLU 62 N 4.82 0.63 -3.56 0.00 0.28 0.41 -4.50 120.64 118.72 1qka n GLU 62 Ca 0.08 0.12 -0.13 0.00 -0.16 0.00 0.00 57.16 57.08 1qka n GLU 62 Cb 0.49 -1.74 -0.05 0.00 1.43 0.00 0.00 31.44 31.57 1qka n GLU 62 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1qka s LYS 63 N -3.04 1.08 0.08 3.44 -2.85 -1.18 -4.87 119.74 112.40 1qka s LYS 63 Ca -0.04 -0.37 -0.18 0.00 -1.00 0.00 0.00 55.97 54.38 1qka s LYS 63 Cb 0.09 0.49 0.04 0.00 -2.06 0.00 0.00 37.83 36.39 1qka s LYS 63 CO 0.82 -0.41 0.42 1.67 0.10 0.00 0.00 175.35 177.96 1qka s TRP 64 N -2.94 -0.27 0.17 1.78 -2.14 -1.26 -0.27 118.94 114.02 1qka s TRP 64 Ca -0.03 0.11 0.01 0.00 2.66 0.00 0.00 56.10 58.86 1qka s TRP 64 Cb -0.00 0.26 -0.04 0.00 -3.10 0.00 0.00 33.47 30.58 1qka s TRP 64 CO -0.06 -0.64 0.03 -1.21 -2.66 0.00 0.00 176.95 172.41 1qka s GLU 65 N -3.06 1.08 0.02 3.25 8.01 -0.50 -4.99 118.70 122.51 1qka s GLU 65 Ca -0.02 -1.53 0.01 0.00 0.01 0.00 0.00 54.97 53.45 1qka s GLU 65 Cb 0.00 -0.09 -0.02 0.00 -4.31 0.00 0.00 34.13 29.71 1qka s GLU 65 CO -0.07 -0.19 -0.05 0.54 0.01 0.00 0.00 175.26 175.50 1qka s ASN 66 N -3.15 0.54 -0.31 -0.19 2.20 -1.26 -1.08 114.94 111.69 1qka s ASN 66 Ca 0.26 -0.37 -0.07 0.00 -0.94 0.00 0.00 52.86 51.74 1qka s ASN 66 Cb 0.07 0.02 0.02 0.00 -2.00 0.00 0.00 41.25 39.36 1qka s ASN 66 CO 0.04 -0.14 0.09 -0.75 -2.94 0.00 0.00 177.10 173.40 1qka s LYS 67 N -1.03 2.93 -2.02 3.55 2.20 0.00 -4.66 119.74 120.71 1qka s LYS 67 Ca -0.08 -0.97 0.00 0.00 -0.36 0.00 0.00 55.97 54.57 1qka s LYS 67 Cb -0.07 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 1qka s LYS 67 CO -0.00 -0.52 0.00 -0.25 -0.36 0.00 0.00 175.35 174.22 1qka n ASP 68 N 4.85 -5.23 -1.13 1.43 8.00 -1.26 -0.97 116.55 122.24 1qka n ASP 68 Ca -0.14 0.42 -0.15 0.00 0.71 0.00 0.00 54.79 55.63 1qka n ASP 68 Cb 0.47 -4.60 -0.06 0.00 -0.02 0.00 0.00 41.12 36.90 1qka n ASP 68 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1qka n PHE 69 N -2.53 0.00 -0.01 1.24 3.72 -1.26 -4.61 117.46 114.01 1qka n PHE 69 Ca -0.20 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.19 1qka n PHE 69 Cb 0.65 -2.81 -0.01 0.00 -0.94 0.00 0.00 39.48 36.37 1qka n PHE 69 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1qka n LYS 70 N -2.01 2.08 -4.02 -1.08 5.02 -0.14 -1.66 118.16 116.35 1qka n LYS 70 Ca -0.15 0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.81 1qka n LYS 70 Cb 0.56 -1.05 -0.15 0.00 -0.02 0.00 0.00 35.03 34.36 1qka n LYS 70 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qka s VAL 71 N -2.05 2.55 -0.20 -0.18 1.01 -0.89 -0.52 120.40 120.13 1qka s VAL 71 Ca -0.02 -1.09 -0.06 0.00 0.00 0.00 0.00 61.98 60.81 1qka s VAL 71 Cb 0.01 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1qka s VAL 71 CO 0.07 0.25 0.03 0.26 0.00 0.00 0.00 175.10 175.71 1qka s TRP 72 N 1.28 3.11 -0.22 5.22 0.52 0.61 -0.82 118.94 128.65 1qka s TRP 72 Ca -0.00 -0.24 -0.01 0.00 0.02 0.00 0.00 56.10 55.87 1qka s TRP 72 Cb -0.16 -2.09 0.02 0.00 -1.15 0.00 0.00 33.47 30.09 1qka s TRP 72 CO -0.07 -0.10 -0.11 0.99 0.02 0.00 0.00 176.95 177.69 1qka s THR 73 N 0.80 2.65 -0.22 2.01 2.01 -0.24 -0.04 115.64 122.61 1qka s THR 73 Ca 0.02 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 1qka s THR 73 Cb -0.14 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 1qka s THR 73 CO 0.02 0.36 0.03 -0.36 -0.69 0.00 0.00 174.62 173.98 1qka s PHE 74 N 1.33 3.06 -0.45 4.92 0.08 0.41 -1.41 117.98 125.91 1qka s PHE 74 Ca 0.03 -0.48 -0.19 0.00 0.12 0.00 0.00 56.93 56.41 1qka s PHE 74 Cb -0.15 -2.16 0.03 0.00 -0.57 0.00 0.00 43.02 40.18 1qka s PHE 74 CO -0.07 -0.32 0.56 -1.01 -0.10 0.00 0.00 175.22 174.28 1qka s HIS 75 N 1.32 3.10 0.16 0.36 3.76 0.63 -1.25 115.29 123.36 1qka s HIS 75 Ca 0.04 -0.33 -0.28 0.00 -0.15 0.00 0.00 55.06 54.34 1qka s HIS 75 Cb -0.15 -3.24 -0.07 0.00 1.11 0.00 0.00 32.58 30.23 1qka s HIS 75 CO 0.02 -0.86 0.88 -0.51 -0.85 0.00 0.00 174.74 173.42 1qka s LEU 76 N 2.50 4.56 0.33 0.89 1.43 0.36 -0.44 118.68 128.32 1qka s LEU 76 Ca 0.16 1.75 -0.29 0.00 -1.03 0.00 0.00 54.13 54.73 1qka s LEU 76 Cb -0.17 -3.47 -0.10 0.00 0.03 0.00 0.00 46.19 42.48 1qka s LEU 76 CO 0.15 0.09 1.34 0.00 0.23 0.00 0.00 176.35 178.15 1qka s ARG 77 N -0.67 4.32 0.55 1.70 1.70 0.07 -4.81 118.95 121.80 1qka s ARG 77 Ca 0.41 2.27 0.32 0.00 -0.47 0.00 0.00 55.73 58.26 1qka s ARG 77 Cb -0.24 -3.06 1.53 0.00 -0.57 0.00 0.00 34.95 32.61 1qka s ARG 77 CO 0.29 -0.25 2.06 0.93 -1.08 0.00 0.00 175.30 177.25 1qka h GLU 78 N 3.45 0.00 -0.60 3.89 5.08 -1.95 -2.86 114.58 121.60 1qka h GLU 78 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1qka h GLU 78 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1qka h GLU 78 CO 0.66 0.08 0.00 0.27 -1.00 0.00 0.00 179.01 179.02 1qka n ASN 79 N -3.34 4.95 -4.70 1.42 6.94 -1.26 -4.93 115.26 114.34 1qka n ASN 79 Ca -0.01 -2.61 -0.42 0.00 -0.02 0.00 0.00 54.58 51.52 1qka n ASN 79 Cb 0.26 -0.60 -0.03 0.00 -2.36 0.00 0.00 39.78 37.05 1qka n ASN 79 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qka s ALA 80 N -2.14 3.57 0.06 -2.53 0.00 -1.08 -4.33 121.76 115.31 1qka s ALA 80 Ca 0.51 0.96 0.02 0.00 0.00 0.00 0.00 51.96 53.45 1qka s ALA 80 Cb 0.35 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1qka s ALA 80 CO 0.21 -0.80 -0.07 0.15 0.00 0.00 0.00 175.76 175.25 1qka s LYS 81 N 1.93 0.65 0.80 0.00 1.02 -1.26 -1.49 119.74 121.38 1qka s LYS 81 Ca 0.64 -0.99 -0.12 0.00 0.02 0.00 0.00 55.97 55.52 1qka s LYS 81 Cb -0.33 -0.24 0.07 0.00 -0.52 0.00 0.00 37.83 36.81 1qka s LYS 81 CO 0.28 0.02 1.17 -1.58 -0.92 0.00 0.00 175.35 174.32 1qka s TRP 82 N -2.32 2.99 -0.25 3.18 0.52 0.61 -4.58 118.94 119.09 1qka s TRP 82 Ca -0.01 0.77 0.26 0.00 0.02 0.00 0.00 56.10 57.14 1qka s TRP 82 Cb -0.04 -3.45 1.18 0.00 -1.15 0.00 0.00 33.47 30.02 1qka s TRP 82 CO -0.02 -1.71 1.78 0.66 0.02 0.00 0.00 176.95 177.69 1qka h SER 83 N -1.01 0.00 -0.19 2.95 4.64 -0.13 -1.09 113.55 118.72 1qka h SER 83 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1qka h SER 83 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1qka h SER 83 CO 0.66 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.72 1qka n ASP 84 N -2.42 1.86 0.00 4.97 5.68 -1.26 -4.83 116.55 120.55 1qka n ASP 84 Ca 0.01 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 1qka n ASP 84 Cb 0.18 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1qka n ASP 84 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qka n GLY 85 N 1.17 1.13 3.80 6.12 0.00 -0.41 -5.06 105.19 111.94 1qka n GLY 85 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1qka n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qka s THR 86 N -2.34 4.02 0.43 2.61 -4.23 -1.26 -4.76 115.64 110.11 1qka s THR 86 Ca 0.00 1.39 -0.25 0.00 -1.18 0.00 0.00 61.69 61.65 1qka s THR 86 Cb 0.00 -3.64 -0.08 0.00 1.34 0.00 0.00 72.50 70.12 1qka s THR 86 CO 0.00 -0.14 1.28 -2.84 -0.54 0.00 0.00 174.62 172.37 1qka s PRO 87 N -2.85 3.85 -0.11 3.99 0.02 -1.26 -0.28 135.00 138.35 1qka s PRO 87 Ca 0.61 2.08 -0.25 0.00 0.02 0.00 0.00 61.00 63.46 1qka s PRO 87 Cb -0.16 -2.64 -0.03 0.00 0.02 0.00 0.00 34.50 31.70 1qka s PRO 87 CO 0.20 -0.57 0.78 0.08 -0.33 0.00 0.00 177.00 177.16 1qka s VAL 88 N -1.32 4.96 0.44 3.83 1.01 -0.56 -4.71 120.40 124.05 1qka s VAL 88 Ca 0.60 1.56 0.03 0.00 0.00 0.00 0.00 61.98 64.17 1qka s VAL 88 Cb -0.36 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 1qka s VAL 88 CO 0.46 0.14 0.05 0.42 0.00 0.00 0.00 175.10 176.17 1qka s THR 89 N 1.46 1.12 0.30 3.92 -4.23 -1.26 -4.78 115.64 112.17 1qka s THR 89 Ca 0.39 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.15 1qka s THR 89 Cb -0.17 -2.44 0.26 0.00 1.34 0.00 0.00 72.50 71.49 1qka s THR 89 CO 0.16 0.00 1.96 0.00 -0.54 0.00 0.00 174.62 176.20 1qka h ALA 90 N 1.66 1.17 -0.25 3.99 0.00 -1.03 -1.85 119.26 122.95 1qka h ALA 90 Ca -0.41 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 1qka h ALA 90 Cb 1.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1qka h ALA 90 CO 0.69 0.23 -0.10 0.45 0.00 0.00 0.00 179.25 180.51 1qka h HIS 91 N 0.00 0.44 -0.88 0.00 3.86 -1.84 -1.18 115.15 115.55 1qka h HIS 91 Ca -0.00 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1qka h HIS 91 Cb 0.52 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.83 1qka h HIS 91 CO 0.00 0.51 0.58 -0.44 0.86 0.00 0.00 177.93 179.44 1qka h ASP 92 N 0.39 1.01 -0.41 2.45 3.32 -1.71 -1.23 116.42 120.24 1qka h ASP 92 Ca 0.08 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1qka h ASP 92 Cb 0.42 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1qka h ASP 92 CO 0.02 0.74 -0.14 -0.26 -1.72 0.00 0.00 179.24 177.88 1qka h PHE 93 N 1.19 0.92 0.00 4.55 -1.00 -1.39 -0.46 116.94 120.76 1qka h PHE 93 Ca 0.32 -0.21 0.01 0.00 2.81 0.00 0.00 57.97 60.90 1qka h PHE 93 Cb -0.13 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.19 1qka h PHE 93 CO -0.01 0.95 -0.08 0.28 -1.61 0.00 0.00 178.31 177.84 1qka h VAL 94 N 0.63 0.79 -0.40 -0.55 2.07 -0.89 -0.59 116.25 117.31 1qka h VAL 94 Ca 0.10 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.63 1qka h VAL 94 Cb 0.68 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1qka h VAL 94 CO 0.05 0.00 0.25 0.22 0.02 0.00 0.00 177.57 178.11 1qka h TYR 95 N -0.14 0.47 -0.15 1.57 3.20 -1.19 -1.73 116.97 119.01 1qka h TYR 95 Ca 0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1qka h TYR 95 Cb 0.18 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1qka h TYR 95 CO -0.15 0.29 0.07 0.77 -1.64 0.00 0.00 178.16 177.50 1qka h SER 96 N 0.51 0.20 0.33 -2.11 0.02 -0.84 -0.13 113.55 111.54 1qka h SER 96 Ca 0.15 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1qka h SER 96 Cb -0.03 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1qka h SER 96 CO -0.05 0.29 -0.31 -0.50 -1.14 0.00 0.00 176.83 175.11 1qka h TRP 97 N 0.10 0.00 -0.32 3.45 4.06 -1.09 0.08 115.95 122.23 1qka h TRP 97 Ca 0.05 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.91 1qka h TRP 97 Cb 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 1qka h TRP 97 CO -0.02 0.31 -0.15 1.96 -3.56 0.00 0.00 178.44 176.98 1qka h GLN 98 N 0.00 0.67 -0.85 0.49 4.20 -0.99 -2.38 115.11 116.25 1qka h GLN 98 Ca -0.00 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.40 1qka h GLN 98 Cb 0.56 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1qka h GLN 98 CO 0.04 0.88 0.46 -0.09 -0.67 0.00 0.00 178.83 179.46 1qka h ARG 99 N 0.43 1.18 -0.77 1.46 2.43 -0.36 -1.63 114.38 117.13 1qka h ARG 99 Ca 0.07 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 1qka h ARG 99 Cb 0.68 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 1qka h ARG 99 CO 0.05 0.87 0.35 1.25 -1.51 0.00 0.00 179.97 180.97 1qka h LEU 100 N 1.19 1.02 -0.95 3.80 5.85 -0.88 -3.00 115.31 122.35 1qka h LEU 100 Ca 0.30 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 1qka h LEU 100 Cb 0.03 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1qka h LEU 100 CO -0.05 0.88 -0.48 0.00 -0.34 0.00 0.00 178.44 178.46 1qka h ALA 101 N 1.27 1.12 -2.27 1.25 0.00 -0.90 -3.40 119.26 116.34 1qka h ALA 101 Ca 0.26 -0.45 -0.55 0.00 0.00 0.00 0.00 54.91 54.18 1qka h ALA 101 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1qka h ALA 101 CO -0.03 0.62 1.06 0.34 0.00 0.00 0.00 179.25 181.24 1qka s ASP 102 N -6.89 6.69 0.54 0.00 -1.08 -0.66 -4.32 116.67 110.95 1qka s ASP 102 Ca -0.03 2.21 0.24 0.00 -0.52 0.00 0.00 52.55 54.45 1qka s ASP 102 Cb 0.13 -2.54 1.42 0.00 -1.46 0.00 0.00 42.92 40.48 1qka s ASP 102 CO 0.76 -0.91 2.04 -0.65 0.52 0.00 0.00 175.17 176.93 1qka h PRO 103 N 9.35 0.00 0.00 4.34 0.11 -1.86 0.38 132.00 144.32 1qka h PRO 103 Ca -0.39 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 1qka h PRO 103 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1qka h PRO 103 CO 0.95 0.00 -0.12 -0.91 -0.21 0.00 0.00 178.00 177.71 1qka h ASN 104 N 0.00 0.00 1.18 -2.05 2.35 -1.93 -1.24 115.58 113.89 1qka h ASN 104 Ca 0.18 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.88 1qka h ASN 104 Cb 0.74 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1qka h ASN 104 CO -0.00 0.12 -0.20 0.74 -1.65 0.00 0.00 177.43 176.44 1qka h THR 105 N 0.00 0.43 -6.55 2.81 2.02 -1.16 -3.47 112.91 106.98 1qka h THR 105 Ca -0.00 -1.17 -0.51 0.00 0.77 0.00 0.00 66.41 65.50 1qka h THR 105 Cb 0.40 1.86 -0.11 0.00 -1.74 0.00 0.00 68.15 68.56 1qka h THR 105 CO 0.02 0.19 -0.85 0.00 0.37 0.00 0.00 175.52 175.25 1qka n ALA 106 N -2.18 -1.64 -1.84 6.16 0.00 -0.47 -4.89 120.51 115.65 1qka n ALA 106 Ca 0.01 -0.11 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 1qka n ALA 106 Cb 0.47 -2.64 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 1qka n ALA 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qka s SER 107 N -3.83 6.93 0.61 0.00 0.15 -1.26 -4.89 113.70 111.41 1qka s SER 107 Ca 0.36 2.50 0.39 0.00 0.70 0.00 0.00 55.95 59.91 1qka s SER 107 Cb -0.19 -2.63 1.97 0.00 -1.71 0.00 0.00 66.02 63.46 1qka s SER 107 CO 0.89 -0.44 2.21 1.55 1.20 0.00 0.00 173.24 178.66 1qka h PRO 108 N 4.07 0.00 -0.38 5.44 0.13 -1.85 -2.26 132.00 137.15 1qka h PRO 108 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1qka h PRO 108 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1qka h PRO 108 CO 0.69 0.01 0.01 0.66 -0.23 0.00 0.00 178.00 179.15 1qka n TYR 109 N -3.16 1.35 -0.31 1.56 4.01 -1.26 -3.77 117.16 115.58 1qka n TYR 109 Ca -0.02 -0.89 0.13 0.00 -0.16 0.00 0.00 57.90 56.97 1qka n TYR 109 Cb 0.17 -0.40 0.36 0.00 -0.31 0.00 0.00 39.34 39.16 1qka n TYR 109 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qka h ALA 110 N 2.42 1.80 0.00 -0.72 0.00 -1.62 0.20 119.26 121.33 1qka h ALA 110 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1qka h ALA 110 Cb 1.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1qka h ALA 110 CO 0.34 -0.10 0.00 0.43 0.00 0.00 0.00 179.25 179.92 1qka n SER 111 N -4.64 0.00 0.03 0.00 7.64 -1.26 -2.52 113.62 112.87 1qka n SER 111 Ca 0.20 0.32 0.08 0.00 1.01 0.00 0.00 58.87 60.49 1qka n SER 111 Cb 0.54 -0.41 0.51 0.00 -1.01 0.00 0.00 64.21 63.84 1qka n SER 111 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1qka h TYR 112 N 0.00 0.35 0.00 1.43 3.20 -1.29 0.59 116.97 121.25 1qka h TYR 112 Ca 0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1qka h TYR 112 Cb 0.22 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1qka h TYR 112 CO 0.00 0.20 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.46 1qka h LEU 113 N 0.35 0.00 -0.32 2.82 3.38 -1.67 -2.36 115.31 117.51 1qka h LEU 113 Ca 0.17 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 1qka h LEU 113 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1qka h LEU 113 CO -0.04 0.19 -0.79 1.56 0.09 0.00 0.00 178.44 179.45 1qka h GLN 114 N 0.00 0.42 -0.30 1.13 4.20 -1.14 -1.55 115.11 117.87 1qka h GLN 114 Ca -0.00 -0.37 -0.04 0.00 0.06 0.00 0.00 58.65 58.29 1qka h GLN 114 Cb 0.87 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1qka h GLN 114 CO 0.02 1.02 0.00 1.88 -0.67 0.00 0.00 178.83 181.09 1qka h TYR 115 N 0.27 0.47 -0.00 2.96 0.05 -0.58 -1.74 116.97 118.40 1qka h TYR 115 Ca -0.05 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1qka h TYR 115 Cb 1.39 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.99 1qka h TYR 115 CO 0.05 0.47 -0.37 0.41 -1.05 0.00 0.00 178.16 177.67 1qka n GLY 116 N -0.95 -1.14 3.42 3.88 0.00 -0.98 -4.99 105.19 104.43 1qka n GLY 116 Ca 0.01 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 1qka n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qka n HIS 117 N -1.30 -2.64 -1.95 1.61 8.25 -0.64 -4.86 115.22 113.69 1qka n HIS 117 Ca 0.08 0.91 -0.41 0.00 -0.26 0.00 0.00 57.72 58.04 1qka n HIS 117 Cb 0.33 -4.76 -0.01 0.00 1.12 0.00 0.00 29.99 26.67 1qka n HIS 117 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1qka s ILE 118 N -3.29 2.36 0.40 1.59 -1.09 -0.85 -0.76 121.20 119.56 1qka s ILE 118 Ca 0.53 0.36 -0.27 0.00 -2.23 0.00 0.00 60.65 59.03 1qka s ILE 118 Cb -0.23 -3.23 -0.10 0.00 -1.58 0.00 0.00 42.46 37.32 1qka s ILE 118 CO 0.65 0.08 1.46 0.00 -1.23 0.00 0.00 174.94 175.91 1qka s ALA 119 N -1.13 3.48 0.00 9.38 0.00 0.63 -2.62 121.76 131.49 1qka s ALA 119 Ca 0.51 1.53 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1qka s ALA 119 Cb -0.43 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1qka s ALA 119 CO 0.58 -1.07 0.00 0.09 0.00 0.00 0.00 175.76 175.36 1qka n ASN 120 N 0.29 -4.07 -0.24 0.00 3.02 -1.26 -1.46 115.26 111.53 1qka n ASN 120 Ca 0.02 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.50 1qka n ASN 120 Cb 0.40 -1.78 0.07 0.00 -0.61 0.00 0.00 39.78 37.86 1qka n ASN 120 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1qka h ILE 121 N 0.00 1.26 -0.33 2.41 6.09 -1.87 -2.40 117.51 122.68 1qka h ILE 121 Ca 0.00 -0.96 0.03 0.00 -1.37 0.00 0.00 64.86 62.56 1qka h ILE 121 Cb 0.42 0.55 -0.03 0.00 0.47 0.00 0.00 36.82 38.22 1qka h ILE 121 CO 0.00 0.37 0.12 0.44 -3.07 0.00 0.00 178.15 176.01 1qka h ASP 122 N 1.05 0.14 0.05 2.19 3.32 -1.91 0.31 116.42 121.58 1qka h ASP 122 Ca 0.22 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 1qka h ASP 122 Cb 0.37 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1qka h ASP 122 CO 0.00 0.12 -0.21 0.44 -1.72 0.00 0.00 179.24 177.87 1qka h ASP 123 N 0.27 0.27 -0.18 6.45 3.32 -1.92 -1.77 116.42 122.87 1qka h ASP 123 Ca 0.15 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1qka h ASP 123 Cb 0.11 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1qka h ASP 123 CO -0.14 0.50 -0.34 0.40 -1.72 0.00 0.00 179.24 177.93 1qka h ILE 124 N 0.26 1.34 -0.76 0.35 2.04 -0.90 0.19 117.51 120.03 1qka h ILE 124 Ca 0.05 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.30 1qka h ILE 124 Cb 0.52 1.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 1qka h ILE 124 CO 0.03 0.48 0.38 0.40 0.00 0.00 0.00 178.15 179.45 1qka h ILE 125 N 0.20 1.23 0.00 -0.67 2.04 -0.80 -2.29 117.51 117.23 1qka h ILE 125 Ca 0.01 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1qka h ILE 125 Cb 0.94 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1qka h ILE 125 CO 0.08 0.27 0.00 0.00 0.00 0.00 0.00 178.15 178.50 1qka n ALA 126 N -2.43 2.26 -0.88 1.87 0.00 -0.68 -4.76 120.51 115.89 1qka n ALA 126 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1qka n ALA 126 Cb 0.12 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1qka n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qka n GLY 127 N 0.54 0.71 0.11 0.00 0.00 -0.86 -4.92 105.19 100.77 1qka n GLY 127 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1qka n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qka h LYS 128 N 2.10 0.00 -4.95 1.61 1.57 -0.89 -3.45 116.57 112.56 1qka h LYS 128 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 1qka h LYS 128 Cb 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.08 1qka h LYS 128 CO 0.00 0.55 -0.77 0.15 -0.57 0.00 0.00 179.45 178.81 1qka s LYS 129 N -2.88 0.71 0.79 3.15 1.02 -0.85 -4.97 119.74 116.71 1qka s LYS 129 Ca 0.01 -0.72 -0.11 0.00 0.02 0.00 0.00 55.97 55.18 1qka s LYS 129 Cb 0.08 -0.64 0.07 0.00 -0.52 0.00 0.00 37.83 36.82 1qka s LYS 129 CO 0.78 0.15 1.09 -1.25 -0.92 0.00 0.00 175.35 175.20 1qka s PRO 130 N -1.25 2.12 0.51 -1.68 0.04 -1.26 -4.15 135.00 129.32 1qka s PRO 130 Ca -0.03 1.13 0.26 0.00 0.04 0.00 0.00 61.00 62.40 1qka s PRO 130 Cb -0.08 -1.88 1.37 0.00 0.04 0.00 0.00 34.50 33.94 1qka s PRO 130 CO 0.01 -1.73 2.04 0.00 0.04 0.00 0.00 177.00 177.36 1qka h ALA 131 N -1.19 1.27 0.00 8.56 0.00 -1.91 -1.19 119.26 124.80 1qka h ALA 131 Ca -0.44 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1qka h ALA 131 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1qka h ALA 131 CO 0.52 0.17 0.00 0.25 0.00 0.00 0.00 179.25 180.19 1qka n THR 132 N -3.64 1.19 1.56 0.00 -2.24 -1.26 -1.30 114.28 108.58 1qka n THR 132 Ca -0.02 0.30 0.15 0.00 -2.27 0.00 0.00 64.05 62.21 1qka n THR 132 Cb 0.26 -1.13 0.67 0.00 -2.10 0.00 0.00 70.33 68.03 1qka n THR 132 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1qka n ASP 133 N -1.45 0.56 -4.68 3.42 9.92 -0.45 -4.93 116.55 118.93 1qka n ASP 133 Ca 0.03 -0.84 -0.39 0.00 -0.53 0.00 0.00 54.79 53.06 1qka n ASP 133 Cb 0.11 -0.04 0.04 0.00 -0.64 0.00 0.00 41.12 40.58 1qka n ASP 133 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1qka n LEU 134 N -0.75 4.42 -2.66 0.64 7.94 -0.42 -4.73 117.00 121.43 1qka n LEU 134 Ca 0.17 0.95 -0.18 0.00 -1.11 0.00 0.00 56.01 55.85 1qka n LEU 134 Cb 0.25 -1.48 -0.07 0.00 0.53 0.00 0.00 43.42 42.65 1qka n LEU 134 CO 0.21 -1.08 1.99 0.61 -1.11 0.00 0.00 177.39 178.01 1qka n GLY 135 N 0.97 2.95 3.08 -3.96 0.00 -0.54 -4.79 105.19 102.91 1qka n GLY 135 Ca 0.11 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 1qka n GLY 135 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qka s VAL 136 N 2.25 0.82 0.01 1.61 -7.23 -1.26 -0.96 120.40 115.64 1qka s VAL 136 Ca 0.49 -0.82 -0.17 0.00 -1.81 0.00 0.00 61.98 59.67 1qka s VAL 136 Cb 0.18 -0.76 0.03 0.00 0.56 0.00 0.00 36.38 36.39 1qka s VAL 136 CO -0.02 -0.05 0.37 -1.59 -0.31 0.00 0.00 175.10 173.50 1qka s LYS 137 N -0.97 0.79 -0.34 4.82 -2.85 -0.59 -5.01 119.74 115.58 1qka s LYS 137 Ca -0.01 -0.24 -0.17 0.00 -1.00 0.00 0.00 55.97 54.55 1qka s LYS 137 Cb -0.07 0.35 -0.01 0.00 -2.06 0.00 0.00 37.83 36.04 1qka s LYS 137 CO 0.01 -0.24 0.46 0.00 0.10 0.00 0.00 175.35 175.67 1qka s ALA 138 N -1.79 3.49 -0.13 0.59 0.00 -1.26 -0.61 121.76 122.04 1qka s ALA 138 Ca -0.10 -1.07 0.16 0.00 0.00 0.00 0.00 51.96 50.95 1qka s ALA 138 Cb -0.03 -2.94 0.19 0.00 0.00 0.00 0.00 23.12 20.34 1qka s ALA 138 CO 0.02 -1.15 1.50 -0.07 0.00 0.00 0.00 175.76 176.07 1qka h LEU 139 N 8.95 0.00 0.00 0.00 3.38 -1.05 -3.47 115.31 123.12 1qka h LEU 139 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1qka h LEU 139 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1qka h LEU 139 CO 0.74 0.44 0.25 -0.90 0.09 0.00 0.00 178.44 179.07 1qka n ASP 140 N -3.25 -1.72 0.29 -0.43 5.68 -1.23 -4.97 116.55 110.92 1qka n ASP 140 Ca 0.02 -2.15 0.14 0.00 -0.50 0.00 0.00 54.79 52.29 1qka n ASP 140 Cb 0.68 2.85 0.85 0.00 -1.14 0.00 0.00 41.12 44.37 1qka n ASP 140 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1qka h ASP 141 N 1.53 0.00 -0.18 -1.12 3.32 -1.99 -2.88 116.42 115.10 1qka h ASP 141 Ca -0.25 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 1qka h ASP 141 Cb 0.95 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1qka h ASP 141 CO 0.32 0.02 -0.04 1.41 -1.72 0.00 0.00 179.24 179.24 1qka n HIS 142 N -3.90 0.62 -3.65 4.55 8.25 -1.26 -0.54 115.22 119.30 1qka n HIS 142 Ca -0.03 -1.07 -0.23 0.00 -0.26 0.00 0.00 57.72 56.13 1qka n HIS 142 Cb 0.11 -0.29 -0.18 0.00 1.12 0.00 0.00 29.99 30.76 1qka n HIS 142 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1qka s THR 143 N -2.94 -0.10 -0.20 1.59 2.01 -1.09 -0.48 115.64 114.44 1qka s THR 143 Ca 0.39 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.52 1qka s THR 143 Cb 0.34 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.49 1qka s THR 143 CO 0.05 -0.02 -0.04 0.12 -0.69 0.00 0.00 174.62 174.04 1qka s PHE 144 N 2.15 2.97 -0.13 4.92 5.36 -0.38 -0.32 117.98 132.55 1qka s PHE 144 Ca 0.04 -0.67 0.01 0.00 -0.96 0.00 0.00 56.93 55.35 1qka s PHE 144 Cb -0.14 -2.05 -0.00 0.00 -0.34 0.00 0.00 43.02 40.49 1qka s PHE 144 CO -0.06 -0.35 -0.17 -2.00 -1.46 0.00 0.00 175.22 171.18 1qka s GLU 145 N 1.06 3.21 -0.09 10.12 2.12 0.22 -0.45 118.70 134.89 1qka s GLU 145 Ca 0.01 -0.77 0.03 0.00 0.36 0.00 0.00 54.97 54.60 1qka s GLU 145 Cb -0.15 -2.53 -0.01 0.00 0.26 0.00 0.00 34.13 31.70 1qka s GLU 145 CO 0.00 0.12 -0.17 0.08 -0.54 0.00 0.00 175.26 174.75 1qka s VAL 146 N 0.54 2.72 -0.20 3.70 1.01 0.95 -1.54 120.40 127.58 1qka s VAL 146 Ca -0.11 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1qka s VAL 146 Cb -0.16 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1qka s VAL 146 CO 0.04 0.55 -0.12 -0.89 0.00 0.00 0.00 175.10 174.69 1qka s THR 147 N -0.01 2.75 0.19 3.92 2.01 -0.13 -0.28 115.64 124.08 1qka s THR 147 Ca -0.05 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.25 1qka s THR 147 Cb -0.15 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1qka s THR 147 CO 0.05 0.48 0.36 -0.76 -0.69 0.00 0.00 174.62 174.05 1qka s LEU 148 N 1.38 4.27 0.00 4.42 1.43 0.32 -0.27 118.68 130.22 1qka s LEU 148 Ca 0.05 0.30 0.29 0.00 -1.03 0.00 0.00 54.13 53.74 1qka s LEU 148 Cb -0.14 -3.07 1.22 0.00 0.03 0.00 0.00 46.19 44.23 1qka s LEU 148 CO -0.08 -0.02 1.88 -1.54 0.23 0.00 0.00 176.35 176.82 1qka n SER 149 N -0.68 0.18 -3.44 2.29 3.41 0.06 -4.72 113.62 110.72 1qka n SER 149 Ca -0.06 -0.04 -0.11 0.00 -0.26 0.00 0.00 58.87 58.41 1qka n SER 149 Cb 0.54 -0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 1qka n SER 149 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1qka s GLU 150 N -2.76 1.19 0.18 4.33 -1.05 -1.26 -5.09 118.70 114.24 1qka s GLU 150 Ca 0.21 -0.44 -0.31 0.00 -0.15 0.00 0.00 54.97 54.28 1qka s GLU 150 Cb 0.19 0.55 -0.10 0.00 -0.44 0.00 0.00 34.13 34.34 1qka s GLU 150 CO 0.52 -0.52 1.50 -2.14 0.95 0.00 0.00 175.26 175.57 1qka s PRO 151 N -3.63 4.25 -0.39 -4.83 0.02 -1.26 -4.70 135.00 124.46 1qka s PRO 151 Ca 0.02 2.30 0.01 0.00 0.02 0.00 0.00 61.00 63.35 1qka s PRO 151 Cb -0.01 -3.16 0.12 0.00 0.02 0.00 0.00 34.50 31.48 1qka s PRO 151 CO -0.12 -0.53 0.19 0.08 -0.33 0.00 0.00 177.00 176.29 1qka s VAL 152 N 0.82 1.07 0.48 3.83 1.01 -0.67 -4.93 120.40 122.02 1qka s VAL 152 Ca 0.66 -2.07 0.15 0.00 0.00 0.00 0.00 61.98 60.72 1qka s VAL 152 Cb -0.42 -1.77 0.23 0.00 0.00 0.00 0.00 36.38 34.41 1qka s VAL 152 CO 0.34 -0.84 2.07 -0.65 0.00 0.00 0.00 175.10 176.03 1qka h PRO 153 N 7.21 0.02 -0.49 2.72 0.11 -1.94 -1.92 132.00 137.70 1qka h PRO 153 Ca -0.04 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1qka h PRO 153 Cb 0.96 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1qka h PRO 153 CO 0.45 0.10 0.00 2.48 -0.21 0.00 0.00 178.00 180.82 1qka n TYR 154 N -4.43 0.65 -0.20 0.65 0.18 -1.26 -4.68 117.16 108.07 1qka n TYR 154 Ca -0.03 -0.33 0.01 0.00 1.88 0.00 0.00 57.90 59.44 1qka n TYR 154 Cb 0.17 0.00 0.11 0.00 -0.38 0.00 0.00 39.34 39.23 1qka n TYR 154 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 1qka h PHE 155 N 2.86 0.06 -0.25 -3.48 3.57 -1.73 -0.03 116.94 117.94 1qka h PHE 155 Ca 0.00 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.61 1qka h PHE 155 Cb 0.65 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1qka h PHE 155 CO 0.33 -0.12 0.19 0.10 -2.23 0.00 0.00 178.31 176.58 1qka h TYR 156 N 0.17 0.00 0.00 0.41 -0.00 -1.84 -1.46 116.97 114.25 1qka h TYR 156 Ca 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 59.04 1qka h TYR 156 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.24 1qka h TYR 156 CO -0.32 0.00 -0.08 0.87 -0.00 0.00 0.00 178.16 178.63 1qka h LYS 157 N 0.00 0.00 0.00 0.10 1.57 -1.35 -2.04 116.57 114.85 1qka h LYS 157 Ca 0.12 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1qka h LYS 157 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1qka h LYS 157 CO -0.00 0.08 -0.26 -0.07 -0.57 0.00 0.00 179.45 178.62 1qka h LEU 158 N 0.00 0.00 0.00 2.94 4.07 -1.37 -3.34 115.31 117.61 1qka h LEU 158 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1qka h LEU 158 Cb 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1qka h LEU 158 CO 0.01 0.26 0.00 0.18 -1.08 0.00 0.00 178.44 177.82 1qka n LEU 159 N -3.79 0.00 -0.13 1.67 4.77 -0.77 -2.93 117.00 115.83 1qka n LEU 159 Ca -0.01 0.06 0.13 0.00 -0.03 0.00 0.00 56.01 56.16 1qka n LEU 159 Cb 0.36 -0.06 0.49 0.00 -2.33 0.00 0.00 43.42 41.87 1qka n LEU 159 CO 0.35 -0.03 0.75 1.33 -1.33 0.00 0.00 177.39 178.46 1qka n VAL 160 N -1.06 0.00 -2.62 4.08 0.24 -1.26 -4.08 118.33 113.64 1qka n VAL 160 Ca 0.13 -0.07 -0.37 0.00 -2.04 0.00 0.00 64.34 61.99 1qka n VAL 160 Cb 0.08 0.07 -0.05 0.00 -1.47 0.00 0.00 33.84 32.48 1qka n VAL 160 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1qka s HIS 161 N -2.61 3.43 0.46 6.34 5.04 -1.15 -4.89 115.29 121.91 1qka s HIS 161 Ca 0.23 1.69 0.11 0.00 -1.54 0.00 0.00 55.06 55.56 1qka s HIS 161 Cb 0.19 -3.07 1.06 0.00 0.04 0.00 0.00 32.58 30.80 1qka s HIS 161 CO 0.53 -0.35 2.10 -1.35 -2.34 0.00 0.00 174.74 173.33 1qka h PRO 162 N 2.81 0.27 0.00 2.88 0.11 -1.92 -2.37 132.00 133.78 1qka h PRO 162 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1qka h PRO 162 Cb 1.21 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1qka h PRO 162 CO 0.63 0.19 -0.03 0.66 -0.21 0.00 0.00 178.00 179.24 1qka h SER 163 N 0.28 0.00 -0.39 -2.05 4.64 -1.94 -1.35 113.55 112.75 1qka h SER 163 Ca 0.07 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1qka h SER 163 Cb -0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1qka h SER 163 CO -0.02 0.03 0.01 1.33 -0.87 0.00 0.00 176.83 177.32 1qka n VAL 164 N -3.49 2.49 -2.27 0.95 0.24 -0.89 -4.80 118.33 110.55 1qka n VAL 164 Ca -0.02 -1.76 -0.32 0.00 -2.04 0.00 0.00 64.34 60.20 1qka n VAL 164 Cb 0.13 -0.27 -0.02 0.00 -1.47 0.00 0.00 33.84 32.21 1qka n VAL 164 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1qka s SER 165 N -1.56 6.49 0.47 -1.34 0.01 -0.51 -4.58 113.70 112.67 1qka s SER 165 Ca 0.47 1.48 -0.20 0.00 1.31 0.00 0.00 55.95 59.01 1qka s SER 165 Cb 0.37 -2.48 -0.10 0.00 0.21 0.00 0.00 66.02 64.03 1qka s SER 165 CO 0.11 -0.66 0.98 -2.16 0.41 0.00 0.00 173.24 171.92 1qka s PRO 166 N -4.41 4.04 0.09 12.44 0.04 -1.26 -4.87 135.00 141.07 1qka s PRO 166 Ca 0.57 1.14 0.08 0.00 0.04 0.00 0.00 61.00 62.83 1qka s PRO 166 Cb -0.10 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1qka s PRO 166 CO 0.39 -0.20 -0.20 0.14 0.04 0.00 0.00 177.00 177.17 1qka s VAL 167 N -2.24 1.62 -0.57 -0.36 -7.23 -1.26 -4.84 120.40 105.53 1qka s VAL 167 Ca 0.63 -1.46 -0.27 0.00 -1.81 0.00 0.00 61.98 59.07 1qka s VAL 167 Cb -0.11 -1.47 0.03 0.00 0.56 0.00 0.00 36.38 35.39 1qka s VAL 167 CO 0.19 -0.04 1.09 -2.16 -0.31 0.00 0.00 175.10 173.87 1qka s PRO 168 N -1.77 3.45 0.24 4.82 0.04 -1.26 -4.77 135.00 135.75 1qka s PRO 168 Ca 0.05 0.06 -0.04 0.00 0.04 0.00 0.00 61.00 61.11 1qka s PRO 168 Cb -0.10 -4.03 0.45 0.00 0.04 0.00 0.00 34.50 30.87 1qka s PRO 168 CO 0.04 -1.60 1.73 -0.22 0.04 0.00 0.00 177.00 176.99 1qka h LYS 169 N 9.44 0.42 -0.75 4.56 3.64 -1.99 -1.73 116.57 130.16 1qka h LYS 169 Ca -0.25 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 1qka h LYS 169 Cb 1.06 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.75 1qka h LYS 169 CO 1.15 0.28 0.40 0.66 -2.27 0.00 0.00 179.45 179.66 1qka h SER 170 N 0.43 0.95 -0.25 4.20 4.64 -1.99 -0.48 113.55 121.04 1qka h SER 170 Ca 0.41 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.48 1qka h SER 170 Cb 0.63 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1qka h SER 170 CO -0.41 0.78 -0.43 0.00 -0.87 0.00 0.00 176.83 175.90 1qka h ALA 171 N 1.21 0.39 -0.06 5.18 0.00 -1.79 -1.62 119.26 122.57 1qka h ALA 171 Ca 0.26 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1qka h ALA 171 Cb 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1qka h ALA 171 CO -0.04 0.52 -0.15 0.28 0.00 0.00 0.00 179.25 179.86 1qka h VAL 172 N 0.47 0.62 -0.54 0.00 2.07 -1.09 -0.19 116.25 117.58 1qka h VAL 172 Ca 0.02 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 1qka h VAL 172 Cb 1.03 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1qka h VAL 172 CO 0.10 0.00 -0.05 -0.33 0.02 0.00 0.00 177.57 177.31 1qka h GLU 173 N -0.22 1.00 -0.06 1.57 5.08 -1.07 0.98 114.58 121.86 1qka h GLU 173 Ca 0.07 -0.34 -0.21 0.00 -1.00 0.00 0.00 59.36 57.88 1qka h GLU 173 Cb 0.32 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1qka h GLU 173 CO -0.19 1.02 -0.82 -0.22 -1.00 0.00 0.00 179.01 177.80 1qka h LYS 174 N 0.87 0.46 -0.00 2.33 3.64 -1.18 -3.37 116.57 119.32 1qka h LYS 174 Ca 0.15 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1qka h LYS 174 Cb 0.60 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1qka h LYS 174 CO 0.04 1.06 -0.35 1.19 -2.27 0.00 0.00 179.45 179.12 1qka n PHE 175 N -3.82 0.00 0.00 1.91 3.72 -0.09 -5.07 117.46 114.11 1qka n PHE 175 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1qka n PHE 175 Cb 0.76 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 1qka n PHE 175 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qka n GLY 176 N 1.08 3.52 0.00 1.37 0.00 0.34 -2.07 105.19 109.43 1qka n GLY 176 Ca 0.04 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.04 1qka n GLY 176 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qka n ASP 177 N 4.65 0.00 -1.40 1.61 5.68 -1.26 -2.27 116.55 123.56 1qka n ASP 177 Ca 0.00 0.37 0.11 0.00 -0.50 0.00 0.00 54.79 54.77 1qka n ASP 177 Cb 0.00 -0.43 0.33 0.00 -1.14 0.00 0.00 41.12 39.88 1qka n ASP 177 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1qka n LYS 178 N -1.43 2.97 0.22 0.11 5.02 -0.88 -4.40 118.16 119.78 1qka n LYS 178 Ca 0.04 -2.64 0.07 0.00 -2.02 0.00 0.00 58.31 53.76 1qka n LYS 178 Cb 0.14 -1.66 0.58 0.00 -0.02 0.00 0.00 35.03 34.06 1qka n LYS 178 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 1qka h TRP 179 N 4.13 0.05 -0.03 2.13 5.08 -1.57 -2.04 115.95 123.70 1qka h TRP 179 Ca 0.00 -0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1qka h TRP 179 Cb 1.10 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 27.25 1qka h TRP 179 CO 0.57 0.09 0.00 0.25 -1.28 0.00 0.00 178.44 178.07 1qka n THR 180 N -4.47 0.04 -2.21 0.12 -2.24 -1.26 -1.43 114.28 102.82 1qka n THR 180 Ca -0.02 -0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.30 1qka n THR 180 Cb 0.14 -0.12 0.01 0.00 -2.10 0.00 0.00 70.33 68.26 1qka n THR 180 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1qka s GLN 181 N -1.96 3.30 0.30 -0.78 -1.52 -0.77 -4.63 119.66 113.60 1qka s GLN 181 Ca 0.37 1.66 0.06 0.00 -1.95 0.00 0.00 55.36 55.49 1qka s GLN 181 Cb 0.18 -2.01 0.76 0.00 -0.22 0.00 0.00 33.01 31.72 1qka s GLN 181 CO 0.29 -0.90 1.75 -1.35 -0.25 0.00 0.00 175.29 174.83 1qka h PRO 182 N 1.18 0.61 0.00 2.91 0.11 -1.90 0.89 132.00 135.81 1qka h PRO 182 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1qka h PRO 182 Cb 1.27 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1qka h PRO 182 CO 0.57 0.40 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 1qka h ALA 183 N 1.67 1.00 0.00 -0.75 0.00 -1.92 -3.33 119.26 115.94 1qka h ALA 183 Ca 0.58 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.32 1qka h ALA 183 Cb 1.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1qka h ALA 183 CO -0.43 0.00 -1.70 0.09 0.00 0.00 0.00 179.25 177.21 1qka n ASN 184 N -3.08 2.44 -4.75 0.00 3.02 -0.03 -5.05 115.26 107.81 1qka n ASN 184 Ca 0.01 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 1qka n ASN 184 Cb 0.30 0.81 0.04 0.00 -0.61 0.00 0.00 39.78 40.32 1qka n ASN 184 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1qka s ILE 185 N -2.29 2.39 -0.05 2.41 2.07 0.10 -4.89 121.20 120.95 1qka s ILE 185 Ca -0.05 0.27 0.01 0.00 -1.41 0.00 0.00 60.65 59.47 1qka s ILE 185 Cb 0.03 -3.12 0.02 0.00 0.13 0.00 0.00 42.46 39.52 1qka s ILE 185 CO 0.43 -0.03 -0.05 -0.69 -1.91 0.00 0.00 174.94 172.69 1qka s VAL 186 N -1.44 0.59 0.16 4.00 1.01 -1.26 -5.00 120.40 118.46 1qka s VAL 186 Ca 0.74 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.62 1qka s VAL 186 Cb -0.35 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1qka s VAL 186 CO 0.40 0.24 -0.11 0.42 0.00 0.00 0.00 175.10 176.05 1qka s THR 187 N 0.89 1.29 0.00 3.92 -4.23 -1.26 -4.68 115.64 111.57 1qka s THR 187 Ca -0.11 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.30 1qka s THR 187 Cb -0.14 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.80 1qka s THR 187 CO 0.00 -0.71 0.79 -0.46 -0.54 0.00 0.00 174.62 173.70 1qka n ASN 188 N -0.24 1.36 -1.99 3.99 6.94 -0.86 0.63 115.26 125.08 1qka n ASN 188 Ca -0.10 -1.62 0.00 0.00 -0.02 0.00 0.00 54.58 52.85 1qka n ASN 188 Cb 0.61 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 1qka n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qka n GLY 189 N -0.31 -0.00 0.28 4.83 0.00 0.91 -4.47 105.19 106.43 1qka n GLY 189 Ca 0.00 -1.83 0.16 0.00 0.00 0.00 0.00 46.02 44.36 1qka n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qka h ALA 190 N -1.16 1.06 -1.94 4.61 0.00 -1.80 -3.42 119.26 116.60 1qka h ALA 190 Ca 0.00 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 54.27 1qka h ALA 190 Cb 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 1qka h ALA 190 CO 0.00 0.07 -0.67 0.71 0.00 0.00 0.00 179.25 179.36 1qka s TYR 191 N -3.85 2.31 0.17 0.00 2.02 -0.49 -0.28 117.35 117.23 1qka s TYR 191 Ca -0.01 -0.57 0.07 0.00 -0.37 0.00 0.00 57.07 56.20 1qka s TYR 191 Cb 0.11 -1.36 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 1qka s TYR 191 CO 0.54 0.50 -0.15 0.15 -1.57 0.00 0.00 175.55 175.01 1qka s LYS 192 N -3.65 1.24 -0.16 -0.62 1.02 0.14 -4.53 119.74 113.17 1qka s LYS 192 Ca 0.32 -1.46 -0.25 0.00 0.02 0.00 0.00 55.97 54.61 1qka s LYS 192 Cb 0.04 -1.11 -0.02 0.00 -0.52 0.00 0.00 37.83 36.22 1qka s LYS 192 CO 0.16 0.20 0.82 -1.17 -0.92 0.00 0.00 175.35 174.43 1qka s LEU 193 N -2.94 4.19 -0.25 3.17 2.96 -1.26 -0.66 118.68 123.89 1qka s LEU 193 Ca 0.17 1.17 -0.16 0.00 -0.22 0.00 0.00 54.13 55.10 1qka s LEU 193 Cb -0.03 -3.22 -0.11 0.00 0.50 0.00 0.00 46.19 43.33 1qka s LEU 193 CO 0.06 -0.37 -0.28 1.17 -1.32 0.00 0.00 176.35 175.61 1qka n LYS 194 N 5.08 0.57 -3.99 1.98 4.81 -0.03 -4.82 118.16 121.76 1qka n LYS 194 Ca 0.04 0.30 -0.09 0.00 -0.87 0.00 0.00 58.31 57.69 1qka n LYS 194 Cb 0.49 -1.52 -0.11 0.00 0.02 0.00 0.00 35.03 33.91 1qka n LYS 194 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1qka s ASN 195 N -7.06 0.26 -0.26 3.14 0.01 -0.87 -4.89 114.94 105.27 1qka s ASN 195 Ca -0.35 -0.54 -0.02 0.00 -0.71 0.00 0.00 52.86 51.24 1qka s ASN 195 Cb 0.11 0.11 0.12 0.00 0.41 0.00 0.00 41.25 42.00 1qka s ASN 195 CO 0.48 -0.33 0.25 0.86 -1.51 0.00 0.00 177.10 176.85 1qka s TRP 196 N -1.70 -0.32 -0.33 2.20 -0.00 -1.26 -0.75 118.94 116.78 1qka s TRP 196 Ca -0.14 -0.09 -0.05 0.00 -0.00 0.00 0.00 56.10 55.83 1qka s TRP 196 Cb -0.08 -0.46 0.04 0.00 -0.00 0.00 0.00 33.47 32.97 1qka s TRP 196 CO -0.02 -0.80 0.07 0.08 -0.00 0.00 0.00 176.95 176.29 1qka s VAL 197 N 2.33 3.52 0.15 5.86 1.01 0.00 -5.02 120.40 128.24 1qka s VAL 197 Ca 0.09 -1.24 -0.34 0.00 0.00 0.00 0.00 61.98 60.49 1qka s VAL 197 Cb -0.15 -3.01 -0.15 0.00 0.00 0.00 0.00 36.38 33.08 1qka s VAL 197 CO -0.26 -0.17 1.50 0.52 0.00 0.00 0.00 175.10 176.69 1qka n VAL 198 N 4.75 0.08 -1.37 2.92 0.31 -1.26 -1.18 118.33 122.56 1qka n VAL 198 Ca -0.12 -0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 64.06 1qka n VAL 198 Cb 0.44 -1.34 -0.06 0.00 -0.91 0.00 0.00 33.84 31.97 1qka n VAL 198 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1qka n ASN 199 N 3.09 -4.70 0.09 4.52 5.03 -1.26 -4.78 115.26 117.25 1qka n ASN 199 Ca 0.17 0.32 0.00 0.00 0.87 0.00 0.00 54.58 55.94 1qka n ASN 199 Cb 0.26 -3.33 0.00 0.00 -1.02 0.00 0.00 39.78 35.69 1qka n ASN 199 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1qka n GLU 200 N -2.43 0.00 -3.50 3.52 2.13 -0.33 -4.90 120.64 115.14 1qka n GLU 200 Ca -0.13 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.58 1qka n GLU 200 Cb 0.45 -0.14 -0.03 0.00 0.27 0.00 0.00 31.44 31.99 1qka n GLU 200 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1qka s ARG 201 N -1.77 0.93 -0.15 5.31 1.70 -0.61 -4.38 118.95 119.97 1qka s ARG 201 Ca 0.00 -0.21 0.01 0.00 -0.47 0.00 0.00 55.73 55.06 1qka s ARG 201 Cb 0.00 0.43 0.02 0.00 -0.57 0.00 0.00 34.95 34.83 1qka s ARG 201 CO 0.00 -0.38 -0.16 0.42 -1.08 0.00 0.00 175.30 174.10 1qka s ILE 202 N -2.76 1.71 -0.15 4.99 1.01 -0.31 -0.82 121.20 124.88 1qka s ILE 202 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1qka s ILE 202 Cb -0.01 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1qka s ILE 202 CO -0.06 0.48 -0.15 -0.69 0.00 0.00 0.00 174.94 174.52 1qka s VAL 203 N 1.36 2.75 0.05 2.92 1.01 0.07 0.42 120.40 128.98 1qka s VAL 203 Ca 0.03 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1qka s VAL 203 Cb -0.13 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1qka s VAL 203 CO -0.10 0.52 -0.07 -0.76 0.00 0.00 0.00 175.10 174.68 1qka s LEU 204 N 0.66 3.14 0.11 3.92 1.43 0.24 -0.85 118.68 127.33 1qka s LEU 204 Ca -0.08 -0.24 0.07 0.00 -1.03 0.00 0.00 54.13 52.86 1qka s LEU 204 Cb -0.16 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1qka s LEU 204 CO 0.02 0.23 -0.18 -1.83 0.23 0.00 0.00 176.35 174.83 1qka s GLU 205 N -1.79 1.07 0.23 1.70 -1.05 0.16 -1.80 118.70 117.23 1qka s GLU 205 Ca 0.19 -1.17 -0.29 0.00 -0.15 0.00 0.00 54.97 53.55 1qka s GLU 205 Cb -0.11 -1.19 -0.15 0.00 -0.44 0.00 0.00 34.13 32.23 1qka s GLU 205 CO 0.11 0.26 0.87 -2.13 0.95 0.00 0.00 175.26 175.32 1qka n ARG 206 N 0.91 0.83 -3.45 -4.83 0.63 -0.43 0.24 116.66 110.57 1qka n ARG 206 Ca -0.18 0.29 -0.43 0.00 -0.92 0.00 0.00 57.85 56.61 1qka n ARG 206 Cb 0.55 -1.56 -0.08 0.00 0.45 0.00 0.00 32.46 31.82 1qka n ARG 206 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1qka s ASN 207 N -0.61 6.01 0.61 6.15 2.47 0.61 -4.57 114.94 125.61 1qka s ASN 207 Ca 0.63 -1.37 0.39 0.00 0.42 0.00 0.00 52.86 52.94 1qka s ASN 207 Cb -0.82 -2.13 1.91 0.00 -1.45 0.00 0.00 41.25 38.76 1qka s ASN 207 CO 0.57 -0.61 2.18 1.55 -3.72 0.00 0.00 177.10 177.07 1qka h PRO 208 N 8.66 0.00 0.00 0.43 0.13 -1.92 -1.84 132.00 137.47 1qka h PRO 208 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1qka h PRO 208 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1qka h PRO 208 CO 0.84 0.01 -0.15 1.04 -0.23 0.00 0.00 178.00 179.51 1qka n GLN 209 N -3.11 0.10 -1.70 0.86 1.13 -1.26 -4.88 117.38 108.52 1qka n GLN 209 Ca -0.01 0.06 -0.44 0.00 -1.94 0.00 0.00 57.00 54.67 1qka n GLN 209 Cb 0.19 -1.60 -0.03 0.00 0.11 0.00 0.00 30.24 28.91 1qka n GLN 209 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1qka n TYR 210 N -1.76 2.44 -0.16 1.08 9.36 -0.69 -4.21 117.16 123.21 1qka n TYR 210 Ca 0.06 0.31 0.12 0.00 3.32 0.00 0.00 57.90 61.71 1qka n TYR 210 Cb 0.37 -2.53 0.44 0.00 -0.63 0.00 0.00 39.34 36.99 1qka n TYR 210 CO 0.00 0.00 0.00 0.11 0.22 0.00 0.00 176.86 177.19 1qka h TRP 211 N 4.93 0.60 -0.61 2.98 5.08 -1.85 -1.62 115.95 125.44 1qka h TRP 211 Ca -0.45 0.02 -0.14 0.00 1.08 0.00 0.00 58.89 59.39 1qka h TRP 211 Cb 1.25 -0.19 -0.09 0.00 -3.00 0.00 0.00 29.16 27.13 1qka h TRP 211 CO 0.59 0.27 0.16 -3.47 -1.28 0.00 0.00 178.44 174.70 1qka n ASP 212 N -4.49 4.71 -0.32 0.11 2.03 -1.26 -4.69 116.55 112.64 1qka n ASP 212 Ca 0.13 -3.18 0.17 0.00 0.52 0.00 0.00 54.79 52.42 1qka n ASP 212 Cb 0.40 -0.70 0.41 0.00 -0.72 0.00 0.00 41.12 40.51 1qka n ASP 212 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1qka h ASN 213 N 2.66 0.61 -0.39 1.67 -1.24 -1.60 -1.80 115.58 115.49 1qka h ASN 213 Ca 0.18 0.08 0.11 0.00 0.71 0.00 0.00 56.30 57.38 1qka h ASN 213 Cb 2.10 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 41.11 1qka h ASN 213 CO 0.60 0.20 0.31 0.00 -1.29 0.00 0.00 177.43 177.24 1qka h ALA 214 N 1.64 2.28 -0.01 1.57 0.00 -1.84 -0.96 119.26 121.93 1qka h ALA 214 Ca 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1qka h ALA 214 Cb 1.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1qka h ALA 214 CO -0.32 -0.51 -0.35 1.63 0.00 0.00 0.00 179.25 179.71 1qka n LYS 215 N -4.23 0.88 -2.31 0.00 5.02 -0.68 -4.90 118.16 111.95 1qka n LYS 215 Ca 0.06 -0.59 -0.41 0.00 -2.02 0.00 0.00 58.31 55.35 1qka n LYS 215 Cb 0.49 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 1qka n LYS 215 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1qka s THR 216 N -2.53 3.23 -0.07 -0.18 2.01 -0.37 0.37 115.64 118.10 1qka s THR 216 Ca 0.22 1.15 -0.02 0.00 0.31 0.00 0.00 61.69 63.35 1qka s THR 216 Cb 0.19 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1qka s THR 216 CO 0.55 0.24 -0.08 0.52 -0.69 0.00 0.00 174.62 175.16 1qka n VAL 217 N 1.59 0.41 -2.23 3.82 0.31 -1.26 -4.90 118.33 116.06 1qka n VAL 217 Ca 0.02 -0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 63.79 1qka n VAL 217 Cb 0.43 -1.17 -0.03 0.00 -0.91 0.00 0.00 33.84 32.17 1qka n VAL 217 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1qka s ILE 218 N -2.14 3.59 -0.18 2.52 -1.09 -1.26 -4.82 121.20 117.82 1qka s ILE 218 Ca -0.10 1.08 0.20 0.00 -2.23 0.00 0.00 60.65 59.60 1qka s ILE 218 Cb 0.03 -3.69 -0.06 0.00 -1.58 0.00 0.00 42.46 37.16 1qka s ILE 218 CO 0.15 0.04 0.95 0.78 -1.23 0.00 0.00 174.94 175.63 1qka h ASN 219 N 7.28 0.00 -3.70 3.58 2.35 -1.04 -3.43 115.58 120.62 1qka h ASN 219 Ca -0.40 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.23 1qka h ASN 219 Cb 1.20 0.00 -0.25 0.00 0.05 0.00 0.00 38.32 39.32 1qka h ASN 219 CO 0.87 0.30 -0.25 -1.58 -1.65 0.00 0.00 177.43 175.12 1qka s GLN 220 N -3.14 0.46 -0.02 0.81 0.74 -1.21 -1.31 119.66 115.98 1qka s GLN 220 Ca -0.02 0.63 0.03 0.00 0.05 0.00 0.00 55.36 56.06 1qka s GLN 220 Cb 0.09 0.16 -0.00 0.00 1.10 0.00 0.00 33.01 34.36 1qka s GLN 220 CO 0.80 -0.09 -0.11 0.54 -0.55 0.00 0.00 175.29 175.89 1qka s VAL 221 N 0.54 0.90 -0.13 1.34 0.11 -0.75 -1.45 120.40 120.96 1qka s VAL 221 Ca -0.03 -0.44 -0.02 0.00 -2.93 0.00 0.00 61.98 58.56 1qka s VAL 221 Cb -0.04 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1qka s VAL 221 CO -0.03 0.27 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.07 1qka s THR 222 N 0.06 3.81 -0.22 5.04 2.01 0.00 -0.59 115.64 125.75 1qka s THR 222 Ca -0.01 -0.40 -0.06 0.00 0.31 0.00 0.00 61.69 61.53 1qka s THR 222 Cb -0.08 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 1qka s THR 222 CO 0.00 0.53 0.02 -0.31 -0.69 0.00 0.00 174.62 174.17 1qka s TYR 223 N 0.03 3.05 0.26 4.92 2.02 0.17 -0.58 117.35 127.22 1qka s TYR 223 Ca -0.00 -0.48 0.05 0.00 -0.37 0.00 0.00 57.07 56.26 1qka s TYR 223 Cb -0.13 -2.13 -0.03 0.00 -0.40 0.00 0.00 41.96 39.27 1qka s TYR 223 CO 0.03 -0.29 0.38 -0.51 -1.57 0.00 0.00 175.55 173.59 1qka s LEU 224 N 1.21 4.26 -0.48 -1.29 1.43 -0.14 -1.16 118.68 122.51 1qka s LEU 224 Ca 0.03 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1qka s LEU 224 Cb -0.15 -2.86 0.45 0.00 0.03 0.00 0.00 46.19 43.66 1qka s LEU 224 CO 0.02 -0.13 1.58 -0.81 0.23 0.00 0.00 176.35 177.24 1qka n PRO 225 N -1.46 3.18 -2.80 1.29 -0.04 -1.26 0.20 135.00 134.11 1qka n PRO 225 Ca -0.08 -3.78 -0.42 0.00 -0.04 0.00 0.00 63.50 59.18 1qka n PRO 225 Cb 0.57 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.71 1qka n PRO 225 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1qka s ILE 226 N -4.75 4.71 -1.31 0.52 1.01 -1.26 -3.99 121.20 116.12 1qka s ILE 226 Ca 0.57 1.57 0.23 0.00 0.00 0.00 0.00 60.65 63.02 1qka s ILE 226 Cb 0.45 -4.24 -0.08 0.00 0.01 0.00 0.00 42.46 38.61 1qka s ILE 226 CO -0.01 -0.25 1.12 -1.54 0.00 0.00 0.00 174.94 174.26 1qka n SER 227 N 6.35 1.13 -4.62 3.58 3.41 -1.14 -3.83 113.62 118.50 1qka n SER 227 Ca 0.08 -0.94 -0.43 0.00 -0.26 0.00 0.00 58.87 57.32 1qka n SER 227 Cb 0.47 0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 65.02 1qka n SER 227 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1qka s SER 228 N -2.83 6.76 0.37 4.04 0.15 -1.26 -4.06 113.70 116.87 1qka s SER 228 Ca 0.13 0.74 0.11 0.00 0.70 0.00 0.00 55.95 57.62 1qka s SER 228 Cb 0.17 -2.49 0.73 0.00 -1.71 0.00 0.00 66.02 62.72 1qka s SER 228 CO 0.73 -0.87 1.85 -0.33 1.20 0.00 0.00 173.24 175.83 1qka h GLU 229 N 8.36 0.10 -0.30 5.44 3.07 -1.87 -1.26 114.58 128.12 1qka h GLU 229 Ca -0.22 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.56 1qka h GLU 229 Cb 1.07 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 1qka h GLU 229 CO 1.00 0.39 0.03 0.28 -1.40 0.00 0.00 179.01 179.30 1qka h VAL 230 N 0.09 1.24 -0.75 3.13 2.07 -1.93 -1.37 116.25 118.74 1qka h VAL 230 Ca 0.01 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 1qka h VAL 230 Cb 0.56 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 1qka h VAL 230 CO 0.04 0.28 0.25 0.74 0.02 0.00 0.00 177.57 178.90 1qka h THR 231 N 0.33 1.26 0.17 2.57 2.02 -1.90 0.17 112.91 117.54 1qka h THR 231 Ca 0.09 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1qka h THR 231 Cb 0.38 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1qka h THR 231 CO 0.01 0.35 -0.16 -0.78 0.37 0.00 0.00 175.52 175.31 1qka h ASP 232 N 1.11 -0.42 -0.57 4.18 1.82 -1.11 0.14 116.42 121.57 1qka h ASP 232 Ca 0.24 0.04 0.04 0.00 -0.39 0.00 0.00 57.03 56.96 1qka h ASP 232 Cb 0.29 0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.40 1qka h ASP 232 CO -0.01 -0.24 0.32 0.58 -1.61 0.00 0.00 179.24 178.28 1qka h VAL 233 N -0.36 1.01 -0.45 2.25 2.07 -0.93 -0.13 116.25 119.72 1qka h VAL 233 Ca -0.00 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.34 1qka h VAL 233 Cb 0.33 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1qka h VAL 233 CO -0.03 0.11 0.22 0.78 0.02 0.00 0.00 177.57 178.68 1qka h ASN 234 N 0.62 0.32 1.38 0.57 2.35 -0.25 0.78 115.58 121.37 1qka h ASN 234 Ca 0.24 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1qka h ASN 234 Cb 0.10 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 1qka h ASN 234 CO -0.14 0.23 -0.05 0.03 -1.65 0.00 0.00 177.43 175.86 1qka h ARG 235 N 0.45 0.00 -0.02 0.81 3.08 -0.29 -0.37 114.38 118.05 1qka h ARG 235 Ca 0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1qka h ARG 235 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1qka h ARG 235 CO -0.14 0.05 -0.03 -0.92 -1.07 0.00 0.00 179.97 177.86 1qka h TYR 236 N 0.00 0.06 0.00 3.04 5.03 -0.64 -0.33 116.97 124.14 1qka h TYR 236 Ca -0.00 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 1qka h TYR 236 Cb 0.75 -0.01 -0.00 0.00 1.55 0.00 0.00 36.73 39.02 1qka h TYR 236 CO 0.00 0.57 -0.06 0.00 -1.32 0.00 0.00 178.16 177.35 1qka h ARG 237 N -0.46 0.00 0.00 1.82 3.08 -0.53 -1.74 114.38 116.54 1qka h ARG 237 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qka h ARG 237 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1qka h ARG 237 CO 0.01 0.06 0.00 0.66 -1.07 0.00 0.00 179.97 179.63 1qka h SER 238 N 0.00 0.00 0.00 7.04 4.64 -1.13 -3.47 113.55 120.63 1qka h SER 238 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qka h SER 238 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1qka h SER 238 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1qka n GLY 239 N 0.98 1.27 0.24 -0.77 0.00 -0.65 -5.00 105.19 101.26 1qka n GLY 239 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1qka n GLY 239 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qka h GLU 240 N 1.91 0.84 -5.32 1.61 4.81 -1.29 -3.45 114.58 113.69 1qka h GLU 240 Ca 0.00 -0.49 -0.62 0.00 -0.13 0.00 0.00 59.36 58.11 1qka h GLU 240 Cb 0.00 0.04 -0.17 0.00 0.63 0.00 0.00 28.75 29.26 1qka h GLU 240 CO 0.00 1.13 -0.58 0.42 -0.73 0.00 0.00 179.01 179.25 1qka s ILE 241 N -4.23 4.63 -0.04 2.32 1.01 -0.45 -4.73 121.20 119.70 1qka s ILE 241 Ca -0.11 -0.09 0.07 0.00 0.00 0.00 0.00 60.65 60.51 1qka s ILE 241 Cb 0.10 -3.07 -0.24 0.00 0.01 0.00 0.00 42.46 39.26 1qka s ILE 241 CO 0.87 0.48 0.68 0.44 0.00 0.00 0.00 174.94 177.41 1qka h ASP 242 N 6.58 0.13 -3.26 3.58 3.32 -1.44 -3.39 116.42 121.94 1qka h ASP 242 Ca -0.37 -0.25 -0.44 0.00 0.02 0.00 0.00 57.03 56.00 1qka h ASP 242 Cb 1.17 -0.04 -0.38 0.00 0.22 0.00 0.00 39.33 40.30 1qka h ASP 242 CO 0.68 1.22 -0.77 -0.04 -1.72 0.00 0.00 179.24 178.61 1qka s MET 243 N -2.60 0.63 1.04 3.56 -1.94 -0.92 -1.91 119.30 117.16 1qka s MET 243 Ca -0.08 0.09 -0.15 0.00 -1.71 0.00 0.00 55.69 53.85 1qka s MET 243 Cb 0.08 -0.97 0.21 0.00 2.01 0.00 0.00 34.83 36.16 1qka s MET 243 CO 0.82 -0.29 1.13 0.95 -0.01 0.00 0.00 175.02 177.61 1qka s THR 244 N 1.92 1.88 0.76 2.05 -4.23 -0.67 -1.19 115.64 116.16 1qka s THR 244 Ca 0.04 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.44 1qka s THR 244 Cb -0.12 -2.59 0.05 0.00 1.34 0.00 0.00 72.50 71.18 1qka s THR 244 CO -0.05 0.00 1.10 -0.47 -0.54 0.00 0.00 174.62 174.66 1qka s TYR 245 N -3.12 3.02 -0.68 3.99 5.04 -1.23 -4.54 117.35 119.83 1qka s TYR 245 Ca 0.67 1.08 -0.03 0.00 -2.44 0.00 0.00 57.07 56.36 1qka s TYR 245 Cb -0.14 -3.13 0.24 0.00 0.35 0.00 0.00 41.96 39.29 1qka s TYR 245 CO 0.56 -1.55 2.31 0.27 -1.34 0.00 0.00 175.55 175.79 1qka n ASN 246 N -3.27 7.12 -4.05 4.32 6.94 -1.26 -4.63 115.26 120.44 1qka n ASN 246 Ca 0.07 -3.58 -0.31 0.00 -0.02 0.00 0.00 54.58 50.73 1qka n ASN 246 Cb 0.57 -1.13 -0.16 0.00 -2.36 0.00 0.00 39.78 36.70 1qka n ASN 246 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1qka s ASN 247 N -0.54 3.21 -0.07 0.53 0.01 -1.26 -4.60 114.94 112.22 1qka s ASN 247 Ca 0.55 -0.75 -0.02 0.00 -0.71 0.00 0.00 52.86 51.93 1qka s ASN 247 Cb 0.42 -1.33 -0.04 0.00 0.41 0.00 0.00 41.25 40.71 1qka s ASN 247 CO -0.32 -0.08 0.05 -0.04 -1.51 0.00 0.00 177.10 175.20 1qka s MET 248 N 1.36 3.09 0.18 -0.60 -1.94 -1.26 -4.81 119.30 115.32 1qka s MET 248 Ca 0.02 -0.37 -0.30 0.00 -1.71 0.00 0.00 55.69 53.32 1qka s MET 248 Cb -0.15 -2.89 -0.08 0.00 2.01 0.00 0.00 34.83 33.73 1qka s MET 248 CO -0.10 0.70 1.18 -1.25 -0.01 0.00 0.00 175.02 175.54 1qka s PRO 249 N -1.15 4.51 0.35 2.03 0.04 -1.26 -4.82 135.00 134.70 1qka s PRO 249 Ca 0.16 1.85 0.06 0.00 0.04 0.00 0.00 61.00 63.11 1qka s PRO 249 Cb -0.12 -3.25 0.65 0.00 0.04 0.00 0.00 34.50 31.83 1qka s PRO 249 CO 0.06 -0.07 1.89 0.82 0.04 0.00 0.00 177.00 179.74 1qka h ILE 250 N 3.76 1.19 -0.90 0.56 2.04 -1.93 -2.03 117.51 120.21 1qka h ILE 250 Ca -0.44 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 64.69 1qka h ILE 250 Cb 1.21 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 38.24 1qka h ILE 250 CO 0.74 0.26 0.57 -0.33 0.00 0.00 0.00 178.15 179.39 1qka h GLU 251 N 0.43 1.05 0.00 2.37 3.07 -1.97 -3.35 114.58 116.19 1qka h GLU 251 Ca 0.09 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1qka h GLU 251 Cb 0.34 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1qka h GLU 251 CO 0.01 0.70 -0.90 1.28 -1.40 0.00 0.00 179.01 178.70 1qka n LEU 252 N -4.55 0.23 -0.12 1.33 4.77 -1.11 -4.82 117.00 112.74 1qka n LEU 252 Ca 0.12 -0.27 -0.05 0.00 -0.03 0.00 0.00 56.01 55.79 1qka n LEU 252 Cb 0.12 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1qka n LEU 252 CO 0.33 0.06 0.86 0.15 -1.33 0.00 0.00 177.39 177.46 1qka h PHE 253 N 0.00 -0.00 -0.84 -1.77 3.57 -1.50 -0.65 116.94 115.74 1qka h PHE 253 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1qka h PHE 253 Cb 0.32 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 1qka h PHE 253 CO 0.00 -0.06 0.51 1.96 -2.23 0.00 0.00 178.31 178.49 1qka h GLN 254 N 0.12 1.15 -0.63 1.11 1.08 -1.87 -1.86 115.11 114.20 1qka h GLN 254 Ca 0.19 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 57.21 1qka h GLN 254 Cb 0.27 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 1qka h GLN 254 CO -0.31 0.80 0.08 0.87 -0.95 0.00 0.00 178.83 179.32 1qka h LYS 255 N 1.16 1.06 -0.62 1.46 1.57 -1.79 -2.87 116.57 116.54 1qka h LYS 255 Ca 0.30 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1qka h LYS 255 Cb -0.05 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1qka h LYS 255 CO -0.06 0.99 0.34 -0.07 -0.57 0.00 0.00 179.45 180.09 1qka h LEU 256 N 0.97 0.76 -1.45 2.94 3.38 -0.57 0.19 115.31 121.52 1qka h LEU 256 Ca 0.19 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1qka h LEU 256 Cb 0.46 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1qka h LEU 256 CO 0.02 0.61 -0.03 0.11 0.09 0.00 0.00 178.44 179.23 1qka h LYS 257 N 0.86 0.31 0.03 1.13 1.57 -1.15 0.22 116.57 119.55 1qka h LYS 257 Ca 0.22 -0.06 -0.27 0.00 -1.87 0.00 0.00 60.65 58.68 1qka h LYS 257 Cb 0.02 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1qka h LYS 257 CO -0.04 0.37 -1.42 0.87 -0.57 0.00 0.00 179.45 178.67 1qka h LYS 258 N 0.31 0.06 0.13 3.15 1.79 -1.06 -3.23 116.57 117.71 1qka h LYS 258 Ca 0.07 -0.11 -0.33 0.00 -2.18 0.00 0.00 60.65 58.10 1qka h LYS 258 Cb 0.26 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1qka h LYS 258 CO 0.01 0.83 -1.70 0.93 -1.08 0.00 0.00 179.45 178.44 1qka h GLU 259 N 0.02 0.28 -1.91 3.15 5.08 -0.36 -3.41 114.58 117.43 1qka h GLU 259 Ca -0.18 -0.48 -0.47 0.00 -1.00 0.00 0.00 59.36 57.23 1qka h GLU 259 Cb 1.93 0.18 -0.40 0.00 0.50 0.00 0.00 28.75 30.95 1qka h GLU 259 CO 0.12 1.15 -1.18 0.44 -1.00 0.00 0.00 179.01 178.54 1qka n ILE 260 N -3.47 0.09 -0.29 3.13 -5.35 0.75 -4.98 119.36 109.24 1qka n ILE 260 Ca -0.22 -4.47 0.11 0.00 -0.27 0.00 0.00 62.75 57.90 1qka n ILE 260 Cb 1.06 -0.22 0.27 0.00 -1.74 0.00 0.00 39.64 39.01 1qka n ILE 260 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1qka h PRO 261 N 3.00 0.33 0.00 6.28 0.13 -1.62 0.18 132.00 140.30 1qka h PRO 261 Ca 0.08 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1qka h PRO 261 Cb 0.97 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1qka h PRO 261 CO 0.51 0.22 0.00 -0.91 -0.23 0.00 0.00 178.00 177.59 1qka h ASN 262 N 0.34 0.00 0.41 1.44 2.35 -1.92 -2.86 115.58 115.34 1qka h ASN 262 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.27 1qka h ASN 262 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1qka h ASN 262 CO -0.54 0.00 -1.21 -0.62 -1.65 0.00 0.00 177.43 173.41 1qka n GLU 263 N -2.73 0.39 -2.76 0.81 1.02 0.03 -4.81 120.64 112.59 1qka n GLU 263 Ca 0.01 -0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.70 1qka n GLU 263 Cb 0.24 -1.61 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 1qka n GLU 263 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1qka s VAL 264 N -3.27 4.27 -0.25 2.62 1.01 -1.07 -1.54 120.40 122.18 1qka s VAL 264 Ca 0.01 0.45 -0.11 0.00 0.00 0.00 0.00 61.98 62.33 1qka s VAL 264 Cb 0.14 -4.60 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 1qka s VAL 264 CO 0.82 -1.19 0.19 -0.13 0.00 0.00 0.00 175.10 174.79 1qka s ARG 265 N 4.26 4.05 -0.17 2.72 1.81 0.27 -4.96 118.95 126.92 1qka s ARG 265 Ca 0.34 -0.24 -0.01 0.00 -1.72 0.00 0.00 55.73 54.10 1qka s ARG 265 Cb -0.11 -3.57 0.04 0.00 -0.45 0.00 0.00 34.95 30.87 1qka s ARG 265 CO 0.21 -0.01 -0.04 0.08 -0.68 0.00 0.00 175.30 174.86 1qka s VAL 266 N 1.25 1.05 0.19 3.52 1.01 -1.25 -1.46 120.40 124.71 1qka s VAL 266 Ca 0.08 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1qka s VAL 266 Cb -0.14 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1qka s VAL 266 CO 0.06 0.08 0.11 -1.81 0.00 0.00 0.00 175.10 173.54 1qka s ASP 267 N 1.65 0.27 0.60 3.32 1.01 -0.94 -4.95 116.67 117.64 1qka s ASP 267 Ca 0.00 -1.35 -0.20 0.00 0.71 0.00 0.00 52.55 51.71 1qka s ASP 267 Cb -0.16 0.34 -0.03 0.00 1.01 0.00 0.00 42.92 44.09 1qka s ASP 267 CO -0.07 -0.81 1.32 -2.84 0.21 0.00 0.00 175.17 172.98 1qka s PRO 268 N -4.12 2.83 -0.14 8.23 0.02 -1.26 0.01 135.00 140.56 1qka s PRO 268 Ca 0.36 2.13 -0.08 0.00 0.02 0.00 0.00 61.00 63.42 1qka s PRO 268 Cb 0.07 -2.03 0.05 0.00 0.02 0.00 0.00 34.50 32.61 1qka s PRO 268 CO 0.10 -1.40 0.35 -0.47 -0.33 0.00 0.00 177.00 175.25 1qka s TYR 269 N -1.36 -0.48 -1.31 6.54 5.04 -1.24 -4.46 117.35 120.06 1qka s TYR 269 Ca 0.78 1.08 -0.09 0.00 -2.44 0.00 0.00 57.07 56.39 1qka s TYR 269 Cb -0.38 0.18 0.14 0.00 0.35 0.00 0.00 41.96 42.24 1qka s TYR 269 CO 0.43 -0.29 2.04 1.28 -1.34 0.00 0.00 175.55 177.67 1qka n LEU 270 N 4.09 7.03 -4.07 6.97 4.77 0.31 -4.49 117.00 131.61 1qka n LEU 270 Ca -0.23 -4.65 -0.10 0.00 -0.03 0.00 0.00 56.01 51.00 1qka n LEU 270 Cb 0.55 -1.47 -0.11 0.00 -2.33 0.00 0.00 43.42 40.06 1qka n LEU 270 CO 0.11 1.52 -0.38 0.00 -1.33 0.00 0.00 177.39 177.31 1qka s THR 272 N -2.46 1.28 -0.16 0.00 2.01 -0.35 -1.35 115.64 114.61 1qka s THR 272 Ca -0.03 -0.60 -0.14 0.00 0.31 0.00 0.00 61.69 61.23 1qka s THR 272 Cb -0.03 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 1qka s THR 272 CO -0.03 0.38 0.30 -0.47 -0.69 0.00 0.00 174.62 174.11 1qka s TYR 273 N 0.28 3.46 0.26 4.92 6.14 0.62 -1.82 117.35 131.20 1qka s TYR 273 Ca -0.08 0.61 -0.14 0.00 0.64 0.00 0.00 57.07 58.10 1qka s TYR 273 Cb -0.13 -2.35 0.00 0.00 0.42 0.00 0.00 41.96 39.90 1qka s TYR 273 CO 0.03 0.23 0.53 1.52 0.64 0.00 0.00 175.55 178.49 1qka s TYR 274 N 0.49 0.28 -0.31 4.97 1.13 0.09 -1.17 117.35 122.83 1qka s TYR 274 Ca 0.17 -0.66 -0.10 0.00 -1.41 0.00 0.00 57.07 55.07 1qka s TYR 274 Cb -0.13 0.29 -0.01 0.00 -1.10 0.00 0.00 41.96 41.00 1qka s TYR 274 CO 0.04 -1.05 0.16 0.71 -2.51 0.00 0.00 175.55 172.90 1qka s TYR 275 N -3.95 3.18 -0.33 -3.49 2.02 0.84 -0.90 117.35 114.72 1qka s TYR 275 Ca 0.21 -0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 56.17 1qka s TYR 275 Cb -0.02 -2.36 0.01 0.00 -0.40 0.00 0.00 41.96 39.19 1qka s TYR 275 CO 0.09 -0.41 1.13 -2.00 -1.57 0.00 0.00 175.55 172.79 1qka s GLU 276 N 1.64 4.01 -0.00 -0.62 2.12 0.93 -1.32 118.70 125.47 1qka s GLU 276 Ca 0.05 1.08 -0.16 0.00 0.36 0.00 0.00 54.97 56.30 1qka s GLU 276 Cb -0.17 -3.78 -0.06 0.00 0.26 0.00 0.00 34.13 30.39 1qka s GLU 276 CO 0.07 -0.98 0.44 0.42 -0.54 0.00 0.00 175.26 174.67 1qka s ILE 277 N 3.86 5.00 -0.73 -3.70 1.01 -1.26 -0.88 121.20 124.50 1qka s ILE 277 Ca 0.48 0.92 -0.27 0.00 0.00 0.00 0.00 60.65 61.78 1qka s ILE 277 Cb -0.13 -3.76 0.03 0.00 0.01 0.00 0.00 42.46 38.62 1qka s ILE 277 CO 0.18 0.55 1.25 0.21 0.00 0.00 0.00 174.94 177.13 1qka s ASN 278 N -0.88 6.16 0.44 3.58 3.84 -0.17 -4.67 114.94 123.24 1qka s ASN 278 Ca 0.25 -0.50 0.30 0.00 0.21 0.00 0.00 52.86 53.12 1qka s ASN 278 Cb -0.17 -2.55 1.37 0.00 -0.55 0.00 0.00 41.25 39.35 1qka s ASN 278 CO 0.14 -1.80 1.90 0.78 -2.79 0.00 0.00 177.10 175.34 1qka h ASN 279 N 9.98 0.00 -0.12 -4.21 4.21 -1.37 -2.86 115.58 121.22 1qka h ASN 279 Ca -0.28 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.23 1qka h ASN 279 Cb 1.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 1qka h ASN 279 CO 1.27 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 177.41 1qka n GLN 280 N -2.68 2.02 -4.38 0.81 6.02 -1.25 -3.72 117.38 114.20 1qka n GLN 280 Ca 0.00 -1.51 -0.33 0.00 -0.01 0.00 0.00 57.00 55.15 1qka n GLN 280 Cb 0.21 -1.46 -0.15 0.00 1.02 0.00 0.00 30.24 29.86 1qka n GLN 280 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1qka s LYS 281 N -1.87 3.25 0.39 -1.09 2.20 -1.08 -4.89 119.74 116.64 1qka s LYS 281 Ca 0.34 -0.72 -0.27 0.00 -0.36 0.00 0.00 55.97 54.95 1qka s LYS 281 Cb 0.20 -2.70 -0.10 0.00 -1.51 0.00 0.00 37.83 33.72 1qka s LYS 281 CO 0.31 -0.03 1.42 0.00 -0.36 0.00 0.00 175.35 176.68 1qka s ALA 282 N 0.95 3.44 -1.42 3.13 0.00 -1.26 0.10 121.76 126.70 1qka s ALA 282 Ca -0.02 1.45 0.12 0.00 0.00 0.00 0.00 51.96 53.51 1qka s ALA 282 Cb -0.15 -3.57 0.46 0.00 0.00 0.00 0.00 23.12 19.86 1qka s ALA 282 CO -0.02 -0.98 1.32 -0.35 0.00 0.00 0.00 175.76 175.74 1qka n PRO 283 N 0.33 2.63 0.00 0.00 -0.04 -1.26 -4.90 135.00 131.77 1qka n PRO 283 Ca 0.02 -1.81 0.13 0.00 -0.04 0.00 0.00 63.50 61.80 1qka n PRO 283 Cb 0.41 -1.61 0.77 0.00 -0.04 0.00 0.00 33.50 33.02 1qka n PRO 283 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1qka n PHE 284 N 0.69 0.00 1.82 0.54 3.72 0.28 -2.33 117.46 122.18 1qka n PHE 284 Ca 0.16 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.72 1qka n PHE 284 Cb 0.58 -0.05 0.80 0.00 -0.94 0.00 0.00 39.48 39.86 1qka n PHE 284 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1qka n ASN 285 N -1.05 0.54 -4.61 4.37 6.94 -1.17 -4.66 115.26 115.62 1qka n ASN 285 Ca 0.19 -1.18 -0.38 0.00 -0.02 0.00 0.00 54.58 53.18 1qka n ASN 285 Cb 0.11 -0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.44 1qka n ASN 285 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1qka s ASP 286 N -2.00 6.17 0.49 0.53 -1.08 -0.98 -4.98 116.67 114.82 1qka s ASP 286 Ca 0.44 0.19 0.15 0.00 -0.52 0.00 0.00 52.55 52.81 1qka s ASP 286 Cb 0.22 -2.17 1.18 0.00 -1.46 0.00 0.00 42.92 40.68 1qka s ASP 286 CO 0.36 -0.11 2.11 1.62 0.52 0.00 0.00 175.17 179.67 1qka h VAL 287 N 5.32 1.00 -0.53 1.11 3.04 -1.89 -1.87 116.25 122.43 1qka h VAL 287 Ca -0.34 -0.05 -0.06 0.00 -1.01 0.00 0.00 66.70 65.25 1qka h VAL 287 Cb 1.17 0.84 -0.02 0.00 -2.01 0.00 0.00 31.29 31.27 1qka h VAL 287 CO 0.62 0.03 0.09 0.03 -1.01 0.00 0.00 177.57 177.33 1qka h ARG 288 N 0.14 0.83 -0.01 4.17 3.08 -1.94 0.19 114.38 120.85 1qka h ARG 288 Ca 0.07 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1qka h ARG 288 Cb 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1qka h ARG 288 CO -0.01 0.77 -0.00 0.28 -1.07 0.00 0.00 179.97 179.94 1qka h VAL 289 N 0.79 1.29 -0.56 2.04 2.07 -1.65 -1.49 116.25 118.75 1qka h VAL 289 Ca 0.17 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1qka h VAL 289 Cb 0.35 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1qka h VAL 289 CO 0.01 0.23 0.27 0.03 0.02 0.00 0.00 177.57 178.12 1qka h ARG 290 N -0.34 0.80 -0.71 1.57 3.08 -1.26 -2.19 114.38 115.33 1qka h ARG 290 Ca 0.00 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 59.96 1qka h ARG 290 Cb 0.37 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1qka h ARG 290 CO 0.00 0.66 0.45 1.15 -1.07 0.00 0.00 179.97 181.16 1qka h THR 291 N 0.75 1.13 -0.18 2.04 2.02 -0.66 -0.31 112.91 117.70 1qka h THR 291 Ca 0.19 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1qka h THR 291 Cb 0.11 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1qka h THR 291 CO -0.02 0.16 0.08 0.00 0.37 0.00 0.00 175.52 176.11 1qka h ALA 292 N 1.29 0.21 -0.59 6.16 0.00 -0.96 -0.23 119.26 125.14 1qka h ALA 292 Ca 0.28 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1qka h ALA 292 Cb -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1qka h ALA 292 CO -0.09 -0.35 0.36 -0.07 0.00 0.00 0.00 179.25 179.10 1qka h LEU 293 N 0.17 0.60 -0.24 0.00 3.38 -1.14 -0.09 115.31 118.00 1qka h LEU 293 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1qka h LEU 293 Cb 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1qka h LEU 293 CO -0.07 0.42 0.15 0.50 0.09 0.00 0.00 178.44 179.53 1qka h LYS 294 N 0.72 0.32 -0.18 1.13 3.64 -0.59 -3.01 116.57 118.60 1qka h LYS 294 Ca 0.23 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.39 1qka h LYS 294 Cb -0.00 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1qka h LYS 294 CO -0.09 0.23 -0.67 -0.07 -2.27 0.00 0.00 179.45 176.59 1qka h LEU 295 N 0.31 0.79 -0.94 5.20 3.38 -0.82 -3.28 115.31 119.95 1qka h LEU 295 Ca 0.09 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1qka h LEU 295 Cb -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1qka h LEU 295 CO -0.02 1.25 0.00 0.00 0.09 0.00 0.00 178.44 179.76 1qka h ALA 296 N 0.75 1.00 -2.58 1.53 0.00 -0.99 -3.42 119.26 115.55 1qka h ALA 296 Ca -0.02 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.36 1qka h ALA 296 Cb 1.27 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.08 1qka h ALA 296 CO 0.13 0.00 0.67 -1.17 0.00 0.00 0.00 179.25 178.88 1qka s LEU 297 N -5.67 4.39 -0.63 0.00 2.96 -1.14 -4.73 118.68 113.85 1qka s LEU 297 Ca 0.04 2.29 -0.17 0.00 -0.22 0.00 0.00 54.13 56.06 1qka s LEU 297 Cb 0.09 -3.59 0.13 0.00 0.50 0.00 0.00 46.19 43.31 1qka s LEU 297 CO 0.53 -0.57 0.69 -0.62 -1.32 0.00 0.00 176.35 175.06 1qka s ASP 298 N 0.82 6.29 0.28 3.68 -1.08 -1.26 -4.93 116.67 120.47 1qka s ASP 298 Ca 0.61 -1.73 -0.02 0.00 -0.52 0.00 0.00 52.55 50.88 1qka s ASP 298 Cb -0.35 -2.27 0.38 0.00 -1.46 0.00 0.00 42.92 39.22 1qka s ASP 298 CO 0.33 -0.98 1.84 0.03 0.52 0.00 0.00 175.17 176.91 1qka h ARG 299 N 8.90 0.89 -0.56 4.34 3.08 -1.93 -2.69 114.38 126.42 1qka h ARG 299 Ca -0.21 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 59.70 1qka h ARG 299 Cb 1.08 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.95 1qka h ARG 299 CO 1.04 0.76 0.33 0.22 -1.07 0.00 0.00 179.97 181.25 1qka h ASP 300 N 0.86 0.52 -0.24 7.04 3.58 -1.95 0.13 116.42 126.37 1qka h ASP 300 Ca 0.20 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 1qka h ASP 300 Cb 0.24 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1qka h ASP 300 CO -0.01 0.36 0.14 0.40 -2.88 0.00 0.00 179.24 177.25 1qka h ILE 301 N 0.64 1.10 0.49 2.25 2.04 -1.90 0.23 117.51 122.37 1qka h ILE 301 Ca 0.23 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1qka h ILE 301 Cb 0.05 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1qka h ILE 301 CO -0.11 0.10 -0.24 0.40 0.00 0.00 0.00 178.15 178.30 1qka h ILE 302 N 0.29 0.50 -0.12 -0.67 1.08 -1.27 0.27 117.51 117.58 1qka h ILE 302 Ca 0.09 -0.20 -0.03 0.00 -0.39 0.00 0.00 64.86 64.33 1qka h ILE 302 Cb 0.04 0.59 -0.00 0.00 -3.07 0.00 0.00 36.82 34.37 1qka h ILE 302 CO -0.01 0.03 -0.03 0.58 -0.69 0.00 0.00 178.15 178.03 1qka h VAL 303 N -0.78 1.29 0.00 1.67 2.07 -0.75 0.26 116.25 120.02 1qka h VAL 303 Ca -0.07 -0.97 -0.31 0.00 0.82 0.00 0.00 66.70 66.17 1qka h VAL 303 Cb 0.56 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 1qka h VAL 303 CO 0.11 0.28 -1.85 0.59 0.02 0.00 0.00 177.57 176.72 1qka n ASN 304 N -4.73 0.69 -0.12 0.57 3.02 0.07 -0.73 115.26 114.02 1qka n ASN 304 Ca -0.06 0.33 -0.21 0.00 -0.03 0.00 0.00 54.58 54.61 1qka n ASN 304 Cb 0.25 0.16 -0.07 0.00 -0.61 0.00 0.00 39.78 39.51 1qka n ASN 304 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qka n LYS 305 N -2.98 0.56 0.17 3.52 4.01 -0.22 -4.37 118.16 118.85 1qka n LYS 305 Ca -0.20 0.28 -0.08 0.00 -0.51 0.00 0.00 58.31 57.79 1qka n LYS 305 Cb 1.08 -1.50 -0.04 0.00 -0.51 0.00 0.00 35.03 34.06 1qka n LYS 305 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1qka h VAL 306 N -1.00 0.03 0.00 -0.18 2.07 -0.47 -3.41 116.25 113.29 1qka h VAL 306 Ca -0.41 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1qka h VAL 306 Cb 1.33 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1qka h VAL 306 CO -0.25 0.01 -0.19 0.50 0.02 0.00 0.00 177.57 177.66 1qka h LYS 307 N -1.13 0.00 -6.36 1.57 3.64 -1.12 -3.49 116.57 109.68 1qka h LYS 307 Ca -0.05 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.86 1qka h LYS 307 Cb 0.41 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1qka h LYS 307 CO 0.09 0.17 -0.92 -1.71 -2.27 0.00 0.00 179.45 174.80 1qka n ASN 308 N -4.70 -3.38 -0.01 4.20 4.05 0.09 -4.90 115.26 110.61 1qka n ASN 308 Ca -0.05 -1.03 0.01 0.00 0.45 0.00 0.00 54.58 53.96 1qka n ASN 308 Cb 0.16 -3.18 0.01 0.00 1.23 0.00 0.00 39.78 38.00 1qka n ASN 308 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1qka n GLN 309 N -4.32 2.52 0.00 1.20 6.02 -1.26 -4.93 117.38 116.60 1qka n GLN 309 Ca -0.18 -1.44 0.00 0.00 -0.01 0.00 0.00 57.00 55.37 1qka n GLN 309 Cb 0.62 -0.97 0.00 0.00 1.02 0.00 0.00 30.24 30.92 1qka n GLN 309 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qka n GLY 310 N -0.49 0.69 3.75 1.08 0.00 -1.26 -4.94 105.19 104.01 1qka n GLY 310 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1qka n GLY 310 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qka s ASP 311 N -2.60 4.19 -0.08 1.61 1.01 -1.26 -4.73 116.67 114.81 1qka s ASP 311 Ca 0.00 1.91 0.02 0.00 0.71 0.00 0.00 52.55 55.19 1qka s ASP 311 Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 1qka s ASP 311 CO 0.00 -2.25 -0.14 -0.76 0.21 0.00 0.00 175.17 172.23 1qka s LEU 312 N -6.03 2.70 0.26 1.23 1.02 -0.81 -4.94 118.68 112.12 1qka s LEU 312 Ca 0.63 -0.26 -0.30 0.00 0.02 0.00 0.00 54.13 54.21 1qka s LEU 312 Cb -0.18 -1.57 -0.13 0.00 0.02 0.00 0.00 46.19 44.32 1qka s LEU 312 CO 0.56 0.27 1.38 -2.65 0.02 0.00 0.00 176.35 175.93 1qka n PRO 313 N 2.84 2.05 -4.38 1.29 -0.02 -1.26 0.52 135.00 136.04 1qka n PRO 313 Ca -0.18 0.73 -0.32 0.00 -2.02 0.00 0.00 63.50 61.71 1qka n PRO 313 Cb 0.52 -2.37 -0.10 0.00 -0.02 0.00 0.00 33.50 31.54 1qka n PRO 313 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qka s ALA 314 N -0.28 3.10 0.00 3.55 0.00 -0.29 -4.66 121.76 123.17 1qka s ALA 314 Ca 0.65 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1qka s ALA 314 Cb -0.63 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.31 1qka s ALA 314 CO 0.52 0.63 0.73 2.48 0.00 0.00 0.00 175.76 180.12 1qka n TYR 315 N 1.41 0.00 -4.11 0.00 0.18 -1.26 -4.41 117.16 108.97 1qka n TYR 315 Ca -0.15 -0.24 -0.13 0.00 1.88 0.00 0.00 57.90 59.26 1qka n TYR 315 Cb 0.52 -0.02 -0.06 0.00 -0.38 0.00 0.00 39.34 39.40 1qka n TYR 315 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1qka s SER 316 N -0.49 0.56 -0.14 9.48 1.04 -1.26 -4.85 113.70 118.05 1qka s SER 316 Ca 0.00 -1.35 -0.09 0.00 0.48 0.00 0.00 55.95 54.99 1qka s SER 316 Cb 0.00 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.64 1qka s SER 316 CO 0.00 -1.14 -0.07 0.22 0.98 0.00 0.00 173.24 173.24 1qka h TYR 317 N 2.26 0.00 -2.88 5.02 3.20 -1.98 -3.45 116.97 119.14 1qka h TYR 317 Ca -0.29 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.05 1qka h TYR 317 Cb 1.24 0.00 0.04 0.00 1.54 0.00 0.00 36.73 39.55 1qka h TYR 317 CO 0.98 0.20 0.83 0.99 -1.64 0.00 0.00 178.16 179.52 1qka s THR 318 N -2.11 2.82 0.28 1.81 2.01 -1.26 -4.69 115.64 114.50 1qka s THR 318 Ca -0.13 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 1qka s THR 318 Cb 0.02 -3.38 -0.11 0.00 0.01 0.00 0.00 72.50 69.04 1qka s THR 318 CO 0.23 0.05 1.52 -2.84 -0.69 0.00 0.00 174.62 172.89 1qka s PRO 319 N 1.10 4.18 0.37 4.92 0.02 -1.26 -4.89 135.00 139.44 1qka s PRO 319 Ca 0.68 2.46 0.26 0.00 0.02 0.00 0.00 61.00 64.43 1qka s PRO 319 Cb -0.42 -3.05 1.30 0.00 0.02 0.00 0.00 34.50 32.35 1qka s PRO 319 CO 0.31 -0.54 1.80 -1.00 -0.33 0.00 0.00 177.00 177.25 1qka h PRO 320 N 4.79 0.00 -0.72 5.54 0.13 -1.94 -2.12 132.00 137.68 1qka h PRO 320 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1qka h PRO 320 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1qka h PRO 320 CO 0.78 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 181.03 1qka n TYR 321 N -2.44 0.96 -1.96 1.56 4.11 -1.26 -4.64 117.16 113.48 1qka n TYR 321 Ca -0.00 -0.48 -0.39 0.00 -0.00 0.00 0.00 57.90 57.02 1qka n TYR 321 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.47 1qka n TYR 321 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1qka s THR 322 N -1.04 2.42 -0.22 -3.48 2.01 -0.80 -4.88 115.64 109.65 1qka s THR 322 Ca 0.48 0.37 -0.28 0.00 0.31 0.00 0.00 61.69 62.57 1qka s THR 322 Cb 0.25 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 1qka s THR 322 CO 0.33 0.05 2.12 -0.62 -0.69 0.00 0.00 174.62 175.81 1qka s ASP 323 N -0.67 5.61 0.00 3.53 -1.08 -1.26 -1.25 116.67 121.55 1qka s ASP 323 Ca 0.59 1.84 0.00 0.00 -0.52 0.00 0.00 52.55 54.46 1qka s ASP 323 Cb -0.40 -2.51 0.00 0.00 -1.46 0.00 0.00 42.92 38.55 1qka s ASP 323 CO 0.51 -1.84 0.00 0.61 0.52 0.00 0.00 175.17 174.97 1qka n GLY 324 N 5.60 0.57 3.69 2.66 0.00 -1.26 -4.05 105.19 112.40 1qka n GLY 324 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 1qka n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qka s ALA 325 N -2.00 3.45 -0.42 4.61 0.00 -0.38 -4.63 121.76 122.39 1qka s ALA 325 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 51.96 51.99 1qka s ALA 325 Cb 0.00 -2.99 0.26 0.00 0.00 0.00 0.00 23.12 20.39 1qka s ALA 325 CO 0.00 -0.36 0.56 1.63 0.00 0.00 0.00 175.76 177.60 1qka n LYS 326 N 4.49 0.99 -3.00 0.00 5.02 -1.26 -4.82 118.16 119.58 1qka n LYS 326 Ca -0.01 -3.44 -0.34 0.00 -2.02 0.00 0.00 58.31 52.51 1qka n LYS 326 Cb 0.50 -1.38 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 1qka n LYS 326 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qka s LEU 327 N -1.43 4.10 -0.24 -0.35 1.43 -1.26 -4.70 118.68 116.22 1qka s LEU 327 Ca 0.36 1.48 -0.15 0.00 -1.03 0.00 0.00 54.13 54.79 1qka s LEU 327 Cb 0.18 -4.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.22 1qka s LEU 327 CO -0.10 -0.20 0.35 -0.69 0.23 0.00 0.00 176.35 175.94 1qka s VAL 328 N -1.94 5.21 -0.15 -1.59 1.01 -1.26 -5.04 120.40 116.64 1qka s VAL 328 Ca 0.54 0.56 -0.29 0.00 0.00 0.00 0.00 61.98 62.79 1qka s VAL 328 Cb -0.12 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1qka s VAL 328 CO 0.17 0.21 1.29 -0.70 0.00 0.00 0.00 175.10 176.08 1qka s GLU 329 N 1.69 4.23 0.73 2.72 2.12 -1.26 -4.96 118.70 123.97 1qka s GLU 329 Ca 0.15 1.71 -0.15 0.00 0.36 0.00 0.00 54.97 57.04 1qka s GLU 329 Cb -0.15 -3.77 0.04 0.00 0.26 0.00 0.00 34.13 30.51 1qka s GLU 329 CO 0.09 -0.70 1.21 -1.25 -0.54 0.00 0.00 175.26 174.06 1qka s PRO 330 N 3.46 2.13 0.31 4.30 0.04 -1.26 -4.94 135.00 139.04 1qka s PRO 330 Ca 0.56 1.76 0.02 0.00 0.04 0.00 0.00 61.00 63.38 1qka s PRO 330 Cb -0.23 -1.83 0.50 0.00 0.04 0.00 0.00 34.50 32.98 1qka s PRO 330 CO 0.16 -1.84 1.85 0.93 0.04 0.00 0.00 177.00 178.14 1qka h GLU 331 N -0.31 0.68 -0.27 4.56 4.39 -2.02 -2.46 114.58 119.16 1qka h GLU 331 Ca -0.48 -0.14 0.08 0.00 0.34 0.00 0.00 59.36 59.16 1qka h GLU 331 Cb 1.30 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1qka h GLU 331 CO 0.50 0.65 0.24 0.11 -1.16 0.00 0.00 179.01 179.34 1qka h TRP 332 N 0.66 0.00 0.00 4.33 5.08 -1.97 -0.79 115.95 123.26 1qka h TRP 332 Ca 0.14 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 60.06 1qka h TRP 332 Cb 0.30 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.45 1qka h TRP 332 CO 0.01 0.00 -0.26 0.35 -1.28 0.00 0.00 178.44 177.26 1qka h PHE 333 N 0.00 0.00 0.00 0.12 3.57 -1.81 -2.88 116.94 115.94 1qka h PHE 333 Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1qka h PHE 333 Cb 0.61 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1qka h PHE 333 CO 0.00 0.26 -0.70 1.63 -2.23 0.00 0.00 178.31 177.27 1qka n LYS 334 N -3.40 0.13 -0.98 1.11 5.02 -0.32 -4.94 118.16 114.78 1qka n LYS 334 Ca 0.00 0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 56.02 1qka n LYS 334 Cb 0.46 -1.56 0.20 0.00 -0.02 0.00 0.00 35.03 34.11 1qka n LYS 334 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1qka s TRP 335 N -3.08 1.86 0.68 2.13 0.51 -1.09 -5.01 118.94 114.93 1qka s TRP 335 Ca 0.08 1.03 -0.11 0.00 -2.12 0.00 0.00 56.10 54.97 1qka s TRP 335 Cb 0.16 -3.22 -0.01 0.00 -0.81 0.00 0.00 33.47 29.59 1qka s TRP 335 CO 0.74 -3.23 1.06 -1.54 -0.51 0.00 0.00 176.95 173.47 1qka s SER 336 N -3.18 5.69 0.40 2.95 1.04 -1.26 -4.91 113.70 114.42 1qka s SER 336 Ca 0.66 1.35 0.16 0.00 0.48 0.00 0.00 55.95 58.60 1qka s SER 336 Cb -0.20 -2.27 0.85 0.00 0.10 0.00 0.00 66.02 64.49 1qka s SER 336 CO 0.60 -1.21 1.87 -0.61 0.98 0.00 0.00 173.24 174.86 1qka h GLN 337 N -0.56 0.00 -0.56 4.02 5.75 -1.95 -1.72 115.11 120.09 1qka h GLN 337 Ca -0.45 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 57.94 1qka h GLN 337 Cb 1.22 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.75 1qka h GLN 337 CO 0.61 0.32 -0.08 -0.56 -2.65 0.00 0.00 178.83 176.47 1qka h GLN 338 N 0.00 1.04 -0.60 1.69 3.07 -1.98 0.16 115.11 118.49 1qka h GLN 338 Ca -0.00 -0.37 -0.07 0.00 0.09 0.00 0.00 58.65 58.29 1qka h GLN 338 Cb 0.61 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 28.07 1qka h GLN 338 CO 0.04 1.06 0.08 -0.22 0.09 0.00 0.00 178.83 179.89 1qka h LYS 339 N 0.93 1.00 -0.53 0.06 3.64 -1.86 -0.65 116.57 119.17 1qka h LYS 339 Ca 0.15 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1qka h LYS 339 Cb 0.65 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1qka h LYS 339 CO 0.04 0.95 0.29 0.00 -2.27 0.00 0.00 179.45 178.47 1qka h ARG 340 N 0.91 0.73 -0.43 1.90 3.08 -0.92 -2.21 114.38 117.43 1qka h ARG 340 Ca 0.18 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1qka h ARG 340 Cb 0.44 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1qka h ARG 340 CO 0.01 0.56 0.27 -0.91 -1.07 0.00 0.00 179.97 178.84 1qka h ASN 341 N 0.70 0.51 -0.44 7.04 2.35 -0.06 -0.94 115.58 124.74 1qka h ASN 341 Ca 0.19 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1qka h ASN 341 Cb 0.04 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1qka h ASN 341 CO -0.03 0.39 0.25 -0.33 -1.65 0.00 0.00 177.43 176.06 1qka h GLU 342 N 0.58 0.62 -0.62 0.81 4.39 -1.04 -0.10 114.58 119.21 1qka h GLU 342 Ca 0.16 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.81 1qka h GLU 342 Cb -0.04 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.45 1qka h GLU 342 CO -0.03 0.49 0.39 1.49 -1.16 0.00 0.00 179.01 180.18 1qka h GLU 343 N 0.58 0.74 0.07 2.33 4.57 -1.22 -0.21 114.58 121.44 1qka h GLU 343 Ca 0.16 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1qka h GLU 343 Cb 0.05 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1qka h GLU 343 CO -0.03 0.49 -0.10 0.00 -1.18 0.00 0.00 179.01 178.20 1qka h ALA 344 N 1.27 -0.16 -0.84 2.92 0.00 -0.71 -1.14 119.26 120.59 1qka h ALA 344 Ca 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1qka h ALA 344 Cb 0.01 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1qka h ALA 344 CO -0.10 -0.61 0.48 0.87 0.00 0.00 0.00 179.25 179.89 1qka h LYS 345 N -0.20 1.16 -0.40 0.00 1.57 -0.69 -0.74 116.57 117.26 1qka h LYS 345 Ca 0.02 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1qka h LYS 345 Cb 0.21 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1qka h LYS 345 CO -0.05 0.83 0.22 -0.22 -0.57 0.00 0.00 179.45 179.66 1qka h LYS 346 N 1.17 0.57 -0.54 3.15 3.64 -0.87 0.01 116.57 123.69 1qka h LYS 346 Ca 0.30 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 1qka h LYS 346 Cb -0.01 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1qka h LYS 346 CO -0.05 0.47 0.06 -0.07 -2.27 0.00 0.00 179.45 177.58 1qka h LEU 347 N 0.52 0.88 -0.49 5.20 3.38 -0.80 -0.17 115.31 123.82 1qka h LEU 347 Ca 0.14 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1qka h LEU 347 Cb 0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1qka h LEU 347 CO -0.02 0.94 0.09 -0.07 0.09 0.00 0.00 178.44 179.46 1qka h LEU 348 N 0.79 0.77 -0.89 1.67 3.38 -0.96 -0.48 115.31 119.60 1qka h LEU 348 Ca 0.16 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1qka h LEU 348 Cb 0.45 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1qka h LEU 348 CO 0.02 0.83 0.58 0.00 0.09 0.00 0.00 178.44 179.95 1qka h ALA 349 N 0.97 1.17 -0.24 1.53 0.00 -0.79 -0.54 119.26 121.36 1qka h ALA 349 Ca 0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1qka h ALA 349 Cb 0.38 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1qka h ALA 349 CO 0.01 0.43 -0.02 0.93 0.00 0.00 0.00 179.25 180.60 1qka h GLU 350 N 1.12 0.36 -0.00 0.00 5.08 -0.56 -2.47 114.58 118.11 1qka h GLU 350 Ca 0.35 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1qka h GLU 350 Cb -0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1qka h GLU 350 CO -0.12 0.40 0.00 0.00 -1.00 0.00 0.00 179.01 178.30 1qka n ALA 351 N -2.49 2.65 0.00 3.43 0.00 -0.23 -4.90 120.51 118.98 1qka n ALA 351 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1qka n ALA 351 Cb 0.22 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1qka n ALA 351 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qka n GLY 352 N 0.92 0.67 3.82 0.00 0.00 -0.93 -5.07 105.19 104.60 1qka n GLY 352 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1qka n GLY 352 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qka s PHE 353 N -2.00 3.76 0.39 1.61 0.08 -0.97 -4.98 117.98 115.87 1qka s PHE 353 Ca 0.00 1.14 0.05 0.00 0.12 0.00 0.00 56.93 58.24 1qka s PHE 353 Cb 0.00 -2.41 -0.02 0.00 -0.57 0.00 0.00 43.02 40.02 1qka s PHE 353 CO 0.00 0.60 0.18 0.95 -0.10 0.00 0.00 175.22 176.85 1qka s THR 354 N -1.03 0.38 0.27 0.64 -4.23 -0.70 -4.26 115.64 106.71 1qka s THR 354 Ca 0.27 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.77 1qka s THR 354 Cb -0.18 -2.38 0.10 0.00 1.34 0.00 0.00 72.50 71.38 1qka s THR 354 CO 0.16 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.99 1qka h ALA 355 N 1.89 1.10 0.00 3.99 0.00 -1.98 -1.71 119.26 122.55 1qka h ALA 355 Ca -0.32 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 1qka h ALA 355 Cb 1.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1qka h ALA 355 CO 0.50 0.56 -0.41 0.22 0.00 0.00 0.00 179.25 180.12 1qka h ASP 356 N 0.65 0.00 -2.15 0.00 3.58 -2.01 -3.35 116.42 113.14 1qka h ASP 356 Ca 0.12 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.99 1qka h ASP 356 Cb 0.52 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 41.18 1qka h ASP 356 CO 0.03 0.41 -1.00 0.29 -2.88 0.00 0.00 179.24 176.09 1qka n LYS 357 N -3.35 0.87 -1.58 0.28 5.02 -1.06 -5.12 118.16 113.22 1qka n LYS 357 Ca 0.01 -3.44 -0.29 0.00 -2.02 0.00 0.00 58.31 52.57 1qka n LYS 357 Cb 0.61 -1.48 0.15 0.00 -0.02 0.00 0.00 35.03 34.28 1qka n LYS 357 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qka s PRO 358 N -1.09 0.93 -0.17 1.97 0.04 -0.67 -1.71 135.00 134.30 1qka s PRO 358 Ca 0.35 0.14 -0.21 0.00 0.04 0.00 0.00 61.00 61.32 1qka s PRO 358 Cb 0.13 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 1qka s PRO 358 CO -0.12 -2.31 0.64 -1.17 0.04 0.00 0.00 177.00 174.08 1qka s LEU 359 N -6.06 4.19 -0.05 -3.56 2.96 -1.26 -4.89 118.68 110.01 1qka s LEU 359 Ca 0.66 0.91 0.02 0.00 -0.22 0.00 0.00 54.13 55.50 1qka s LEU 359 Cb -0.12 -2.93 0.02 0.00 0.50 0.00 0.00 46.19 43.66 1qka s LEU 359 CO 0.53 -0.23 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.36 1qka s THR 360 N 1.63 0.80 0.30 3.68 2.01 -1.26 -1.25 115.64 121.55 1qka s THR 360 Ca 0.31 -0.29 -0.17 0.00 0.31 0.00 0.00 61.69 61.85 1qka s THR 360 Cb -0.16 -0.76 0.02 0.00 0.01 0.00 0.00 72.50 71.61 1qka s THR 360 CO 0.12 0.28 0.67 0.72 -0.69 0.00 0.00 174.62 175.71 1qka s PHE 361 N 0.72 0.08 0.24 4.92 -0.12 -0.72 -5.01 117.98 118.09 1qka s PHE 361 Ca -0.12 -0.55 -0.13 0.00 -0.05 0.00 0.00 56.93 56.08 1qka s PHE 361 Cb -0.14 0.57 -0.08 0.00 -0.63 0.00 0.00 43.02 42.74 1qka s PHE 361 CO 0.02 -1.25 0.62 -0.51 -0.05 0.00 0.00 175.22 174.04 1qka s ASP 362 N -2.99 6.75 -0.29 1.98 1.01 -1.26 -1.04 116.67 120.83 1qka s ASP 362 Ca 0.16 1.10 0.02 0.00 0.71 0.00 0.00 52.55 54.54 1qka s ASP 362 Cb -0.04 -2.30 0.08 0.00 1.01 0.00 0.00 42.92 41.67 1qka s ASP 362 CO 0.09 -0.06 -0.00 -0.22 0.21 0.00 0.00 175.17 175.19 1qka s LEU 363 N -2.59 3.45 -0.03 1.23 0.20 0.18 -2.79 118.68 118.33 1qka s LEU 363 Ca 0.47 -1.63 -0.16 0.00 0.69 0.00 0.00 54.13 53.50 1qka s LEU 363 Cb -0.12 -1.35 -0.05 0.00 -0.43 0.00 0.00 46.19 44.23 1qka s LEU 363 CO 0.20 -0.31 0.42 -0.22 -0.29 0.00 0.00 176.35 176.16 1qka s LEU 364 N 1.20 4.42 0.06 -0.68 2.96 -0.22 -0.89 118.68 125.54 1qka s LEU 364 Ca 0.02 0.92 -0.08 0.00 -0.22 0.00 0.00 54.13 54.76 1qka s LEU 364 Cb -0.19 -2.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.89 1qka s LEU 364 CO -0.10 0.23 0.17 -0.72 -1.32 0.00 0.00 176.35 174.62 1qka s TYR 365 N -0.59 0.14 0.06 5.38 1.13 0.14 -0.34 117.35 123.27 1qka s TYR 365 Ca 0.24 -0.49 -0.29 0.00 -1.41 0.00 0.00 57.07 55.12 1qka s TYR 365 Cb -0.16 -0.07 -0.05 0.00 -1.10 0.00 0.00 41.96 40.58 1qka s TYR 365 CO 0.12 -0.48 0.93 0.54 -2.51 0.00 0.00 175.55 174.15 1qka s ASN 366 N -2.51 7.39 -0.42 -0.18 4.22 -1.26 -1.25 114.94 120.93 1qka s ASN 366 Ca 0.00 1.67 -0.42 0.00 -2.14 0.00 0.00 52.86 51.97 1qka s ASN 366 Cb 0.02 -2.56 -0.18 0.00 1.28 0.00 0.00 41.25 39.82 1qka s ASN 366 CO -0.08 -0.12 1.41 0.41 -2.04 0.00 0.00 177.10 176.69 1qka n THR 367 N 3.20 0.00 0.00 0.54 -1.04 -0.68 -4.80 114.28 111.50 1qka n THR 367 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1qka n THR 367 Cb 0.50 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 1qka n THR 367 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1qka n SER 368 N 3.45 0.00 -0.06 8.00 2.88 -1.26 -4.84 113.62 121.79 1qka n SER 368 Ca 0.27 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.67 1qka n SER 368 Cb -0.04 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.35 1qka n SER 368 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1qka h ASP 369 N 0.00 0.68 -0.07 -3.46 1.82 -1.91 -1.49 116.42 111.99 1qka h ASP 369 Ca 0.00 -0.54 0.02 0.00 -0.39 0.00 0.00 57.03 56.12 1qka h ASP 369 Cb 0.00 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 39.80 1qka h ASP 369 CO 0.00 1.09 -0.03 0.25 -1.61 0.00 0.00 179.24 178.94 1qka h LEU 370 N 0.30 -0.12 -0.99 2.28 5.85 -1.90 -0.95 115.31 119.78 1qka h LEU 370 Ca 0.01 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 1qka h LEU 370 Cb 0.97 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1qka h LEU 370 CO 0.08 -0.05 -0.43 0.45 -0.34 0.00 0.00 178.44 178.16 1qka h HIS 371 N -0.03 0.19 -0.01 1.25 3.86 -1.86 -1.32 115.15 117.23 1qka h HIS 371 Ca 0.04 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1qka h HIS 371 Cb 0.09 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1qka h HIS 371 CO -0.14 0.57 0.00 -0.22 0.86 0.00 0.00 177.93 178.99 1qka h LYS 372 N 0.13 0.01 -0.67 2.45 3.64 -1.04 0.24 116.57 121.34 1qka h LYS 372 Ca 0.01 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1qka h LYS 372 Cb 0.81 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.58 1qka h LYS 372 CO 0.06 0.29 0.36 0.87 -2.27 0.00 0.00 179.45 178.77 1qka h LYS 373 N -0.27 0.65 -0.52 1.90 1.57 -0.98 0.91 116.57 119.82 1qka h LYS 373 Ca 0.00 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1qka h LYS 373 Cb 0.29 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1qka h LYS 373 CO 0.00 0.43 0.13 -0.07 -0.57 0.00 0.00 179.45 179.37 1qka h LEU 374 N 0.67 0.78 -0.87 2.94 3.38 -1.16 -1.91 115.31 119.14 1qka h LEU 374 Ca 0.30 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1qka h LEU 374 Cb 0.21 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1qka h LEU 374 CO -0.19 0.81 0.10 0.00 0.09 0.00 0.00 178.44 179.25 1qka h ALA 375 N 1.00 1.07 -0.57 1.53 0.00 -0.45 -0.61 119.26 121.24 1qka h ALA 375 Ca 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1qka h ALA 375 Cb 0.33 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1qka h ALA 375 CO 0.00 0.60 0.28 0.82 0.00 0.00 0.00 179.25 180.95 1qka h ILE 376 N 0.89 1.21 -0.51 0.00 2.04 -0.69 0.14 117.51 120.58 1qka h ILE 376 Ca 0.18 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1qka h ILE 376 Cb 0.38 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1qka h ILE 376 CO 0.01 0.23 0.28 0.00 0.00 0.00 0.00 178.15 178.67 1qka h ALA 377 N 1.11 0.65 -0.63 1.87 0.00 -1.02 -1.53 119.26 119.70 1qka h ALA 377 Ca 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1qka h ALA 377 Cb 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1qka h ALA 377 CO -0.02 0.17 0.23 0.28 0.00 0.00 0.00 179.25 179.90 1qka h VAL 378 N 0.68 1.24 -0.50 0.00 2.07 -0.94 0.74 116.25 119.54 1qka h VAL 378 Ca 0.18 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1qka h VAL 378 Cb 0.05 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1qka h VAL 378 CO -0.03 0.31 0.27 0.00 0.02 0.00 0.00 177.57 178.13 1qka h ALA 379 N 1.09 0.64 -0.37 1.67 0.00 -0.49 0.36 119.26 122.15 1qka h ALA 379 Ca 0.21 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1qka h ALA 379 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qka h ALA 379 CO -0.01 -0.07 -0.12 1.03 0.00 0.00 0.00 179.25 180.08 1qka h SER 380 N 0.52 0.75 -0.35 0.00 0.87 -0.88 -1.13 113.55 113.34 1qka h SER 380 Ca 0.21 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 1qka h SER 380 Cb 0.10 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1qka h SER 380 CO -0.14 0.96 0.17 0.40 -0.53 0.00 0.00 176.83 177.69 1qka h ILE 381 N 0.54 1.16 -0.39 2.23 2.04 -0.57 0.15 117.51 122.68 1qka h ILE 381 Ca 0.09 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 1qka h ILE 381 Cb 0.65 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1qka h ILE 381 CO 0.04 0.17 -0.07 -0.50 0.00 0.00 0.00 178.15 177.80 1qka h TRP 382 N 0.42 0.70 0.15 1.37 6.55 -0.89 0.17 115.95 124.42 1qka h TRP 382 Ca 0.12 -0.10 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 1qka h TRP 382 Cb 0.12 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 28.23 1qka h TRP 382 CO -0.02 0.71 -0.07 -0.22 -1.05 0.00 0.00 178.44 177.79 1qka h LYS 383 N 0.60 -0.19 0.05 0.49 1.63 -1.01 -0.89 116.57 117.26 1qka h LYS 383 Ca 0.11 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1qka h LYS 383 Cb 0.49 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1qka h LYS 383 CO 0.03 0.13 -0.03 -0.22 -3.45 0.00 0.00 179.45 175.91 1qka h LYS 384 N -0.53 -0.07 0.00 1.90 3.11 -0.79 -1.17 116.57 119.01 1qka h LYS 384 Ca -0.02 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.63 1qka h LYS 384 Cb 0.41 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.63 1qka h LYS 384 CO 0.03 0.05 -0.94 -0.91 -2.81 0.00 0.00 179.45 174.88 1qka h ASN 385 N -0.18 0.00 0.00 4.20 2.35 -0.77 -3.40 115.58 117.78 1qka h ASN 385 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1qka h ASN 385 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1qka h ASN 385 CO 0.01 0.87 0.00 -0.11 -1.65 0.00 0.00 177.43 176.55 1qka n LEU 386 N -3.29 0.17 -1.14 1.61 0.00 -0.38 -4.80 117.00 109.17 1qka n LEU 386 Ca -0.01 -0.37 -0.11 0.00 0.00 0.00 0.00 56.01 55.52 1qka n LEU 386 Cb 0.90 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 44.30 1qka n LEU 386 CO 0.45 0.04 -0.13 0.61 0.00 0.00 0.00 177.39 178.36 1qka n GLY 387 N 0.41 0.24 3.84 -3.96 0.00 -0.44 -4.92 105.19 100.35 1qka n GLY 387 Ca 0.00 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 1qka n GLY 387 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qka s VAL 388 N -2.51 4.92 -0.08 1.61 -7.23 -1.10 -4.50 120.40 111.51 1qka s VAL 388 Ca 0.00 -0.59 0.01 0.00 -1.81 0.00 0.00 61.98 59.59 1qka s VAL 388 Cb 0.00 -3.39 -0.03 0.00 0.56 0.00 0.00 36.38 33.53 1qka s VAL 388 CO 0.00 0.13 -0.09 0.20 -0.31 0.00 0.00 175.10 175.03 1qka s ASN 389 N -2.44 4.40 0.00 4.85 0.01 -0.38 -3.39 114.94 118.00 1qka s ASN 389 Ca 0.32 -0.12 0.05 0.00 -0.71 0.00 0.00 52.86 52.39 1qka s ASN 389 Cb -0.13 -1.21 -0.01 0.00 0.41 0.00 0.00 41.25 40.31 1qka s ASN 389 CO 0.25 0.31 -0.15 -0.69 -1.51 0.00 0.00 177.10 175.31 1qka s VAL 390 N -0.50 1.16 -0.40 1.60 1.01 -1.26 -1.75 120.40 120.26 1qka s VAL 390 Ca 0.07 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1qka s VAL 390 Cb -0.12 -0.99 0.04 0.00 0.00 0.00 0.00 36.38 35.31 1qka s VAL 390 CO 0.02 0.24 0.25 0.20 0.00 0.00 0.00 175.10 175.81 1qka s ASN 391 N -0.57 5.81 0.29 3.32 0.02 -0.21 -4.94 114.94 118.65 1qka s ASN 391 Ca 0.05 -1.14 -0.29 0.00 -1.02 0.00 0.00 52.86 50.46 1qka s ASN 391 Cb -0.06 -2.05 -0.10 0.00 0.02 0.00 0.00 41.25 39.06 1qka s ASN 391 CO 0.00 -0.46 1.11 -0.76 0.02 0.00 0.00 177.10 177.01 1qka s LEU 392 N 1.55 4.52 -0.02 0.60 1.02 -1.26 -0.64 118.68 124.45 1qka s LEU 392 Ca 0.03 2.28 -0.00 0.00 0.02 0.00 0.00 54.13 56.46 1qka s LEU 392 Cb -0.21 -3.66 0.02 0.00 0.02 0.00 0.00 46.19 42.37 1qka s LEU 392 CO 0.06 -0.19 0.03 -1.61 0.02 0.00 0.00 176.35 174.66 1qka s GLU 393 N -1.53 -0.02 0.03 1.70 2.02 -0.07 -4.88 118.70 115.95 1qka s GLU 393 Ca 0.45 0.15 0.03 0.00 0.02 0.00 0.00 54.97 55.62 1qka s GLU 393 Cb -0.32 -0.18 -0.04 0.00 0.10 0.00 0.00 34.13 33.69 1qka s GLU 393 CO 0.41 -0.13 -0.01 0.54 0.02 0.00 0.00 175.26 176.10 1qka s ASN 394 N 0.81 5.03 0.01 -0.19 4.22 -1.26 -0.68 114.94 122.87 1qka s ASN 394 Ca -0.07 -0.07 0.01 0.00 -2.14 0.00 0.00 52.86 50.59 1qka s ASN 394 Cb -0.10 -1.26 -0.01 0.00 1.28 0.00 0.00 41.25 41.16 1qka s ASN 394 CO -0.02 0.25 -0.03 -1.10 -2.04 0.00 0.00 177.10 174.15 1qka s GLN 395 N -1.76 0.27 0.73 3.55 -0.21 -0.38 -4.88 119.66 116.98 1qka s GLN 395 Ca 0.21 -0.29 -0.16 0.00 0.02 0.00 0.00 55.36 55.14 1qka s GLN 395 Cb -0.12 -0.15 0.03 0.00 1.00 0.00 0.00 33.01 33.78 1qka s GLN 395 CO 0.12 0.03 1.21 0.39 -2.12 0.00 0.00 175.29 174.93 1qka n GLU 396 N 2.51 0.62 -0.30 2.91 1.02 -1.26 -1.68 120.64 124.45 1qka n GLU 396 Ca -0.16 0.28 -0.07 0.00 -0.02 0.00 0.00 57.16 57.18 1qka n GLU 396 Cb 0.58 -2.45 -0.03 0.00 -0.02 0.00 0.00 31.44 29.51 1qka n GLU 396 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1qka h TRP 397 N -0.22 -1.40 -0.66 -0.32 -0.00 -1.91 -0.29 115.95 111.15 1qka h TRP 397 Ca -0.48 0.10 0.03 0.00 -0.00 0.00 0.00 58.89 58.54 1qka h TRP 397 Cb 1.32 0.72 -0.04 0.00 -0.00 0.00 0.00 29.16 31.16 1qka h TRP 397 CO 0.43 -0.41 0.41 -0.22 -0.00 0.00 0.00 178.44 178.65 1qka h LYS 398 N -0.13 0.77 -0.50 2.65 1.63 -1.91 -2.15 116.57 116.92 1qka h LYS 398 Ca 0.21 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.91 1qka h LYS 398 Cb 0.54 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 1qka h LYS 398 CO -0.82 0.51 0.12 1.15 -3.45 0.00 0.00 179.45 176.96 1qka h THR 399 N 0.79 1.24 -0.71 1.00 2.02 -1.72 -2.52 112.91 113.01 1qka h THR 399 Ca 0.27 -0.86 0.06 0.00 0.77 0.00 0.00 66.41 66.65 1qka h THR 399 Cb 0.04 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 1qka h THR 399 CO -0.11 0.31 0.41 0.15 0.37 0.00 0.00 175.52 176.65 1qka h PHE 400 N 0.70 0.76 -0.35 3.16 3.57 -0.74 0.02 116.94 124.05 1qka h PHE 400 Ca 0.16 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 1qka h PHE 400 Cb 0.34 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1qka h PHE 400 CO 0.02 0.38 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.20 1qka h LEU 401 N 0.76 0.79 -0.41 0.59 3.38 -1.28 -2.48 115.31 116.67 1qka h LEU 401 Ca 0.31 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1qka h LEU 401 Cb 0.16 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1qka h LEU 401 CO -0.17 1.04 0.24 0.44 0.09 0.00 0.00 178.44 180.08 1qka h ASP 402 N 0.55 0.38 -0.55 -0.43 3.32 -1.12 -1.17 116.42 117.40 1qka h ASP 402 Ca 0.07 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.22 1qka h ASP 402 Cb 0.76 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 40.16 1qka h ASP 402 CO 0.06 0.28 0.15 0.74 -1.72 0.00 0.00 179.24 178.74 1qka h THR 403 N 0.48 0.72 -0.47 0.35 2.02 -0.87 0.97 112.91 116.12 1qka h THR 403 Ca 0.16 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 1qka h THR 403 Cb 0.01 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1qka h THR 403 CO -0.08 0.05 0.04 0.03 0.37 0.00 0.00 175.52 175.93 1qka h ARG 404 N 0.30 0.81 -0.82 6.66 3.08 -1.03 -1.33 114.38 122.04 1qka h ARG 404 Ca 0.28 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1qka h ARG 404 Cb 0.38 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1qka h ARG 404 CO -0.33 0.84 0.41 0.45 -1.07 0.00 0.00 179.97 180.27 1qka h HIS 405 N 0.67 1.17 0.00 3.04 3.86 -0.79 -2.21 115.15 120.89 1qka h HIS 405 Ca 0.14 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1qka h HIS 405 Cb 0.45 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 1qka h HIS 405 CO 0.03 0.84 -0.07 1.96 0.86 0.00 0.00 177.93 181.55 1qka h GLN 406 N 1.17 0.00 -0.76 2.45 4.20 -0.41 -3.47 115.11 118.29 1qka h GLN 406 Ca 0.28 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.88 1qka h GLN 406 Cb 0.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1qka h GLN 406 CO -0.04 0.07 -0.14 0.41 -0.67 0.00 0.00 178.83 178.46 1qka n GLY 407 N -0.33 0.21 2.65 3.46 0.00 -0.56 -4.94 105.19 105.69 1qka n GLY 407 Ca -0.01 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 1qka n GLY 407 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qka n THR 408 N -3.86 5.59 -3.94 2.61 -2.24 -0.87 -4.90 114.28 106.67 1qka n THR 408 Ca -0.07 -5.45 -0.09 0.00 -2.27 0.00 0.00 64.05 56.17 1qka n THR 408 Cb 0.51 -1.58 -0.03 0.00 -2.10 0.00 0.00 70.33 67.13 1qka n THR 408 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1qka s PHE 409 N -3.80 0.22 0.00 4.78 -0.71 -1.26 -4.94 117.98 112.28 1qka s PHE 409 Ca 0.43 -0.65 0.00 0.00 -1.04 0.00 0.00 56.93 55.67 1qka s PHE 409 Cb 0.23 0.42 0.00 0.00 -1.21 0.00 0.00 43.02 42.46 1qka s PHE 409 CO -0.17 -1.17 0.00 -0.25 -1.34 0.00 0.00 175.22 172.29 1qka n ASP 410 N -0.67 0.00 -4.16 1.98 8.00 -1.26 -4.73 116.55 115.71 1qka n ASP 410 Ca -0.03 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.24 1qka n ASP 410 Cb 0.61 -0.25 -0.14 0.00 -0.02 0.00 0.00 41.12 41.32 1qka n ASP 410 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qka s VAL 411 N -0.69 1.30 0.00 2.53 1.01 -1.12 -1.00 120.40 122.44 1qka s VAL 411 Ca 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1qka s VAL 411 Cb 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1qka s VAL 411 CO 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 175.10 175.28 1qka s ALA 412 N -0.59 0.40 0.93 5.51 0.00 -0.06 -1.05 121.76 126.91 1qka s ALA 412 Ca 0.05 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 1qka s ALA 412 Cb -0.07 -0.06 0.15 0.00 0.00 0.00 0.00 23.12 23.13 1qka s ALA 412 CO 0.00 0.07 1.09 -0.98 0.00 0.00 0.00 175.76 175.94 1qka s ARG 413 N -0.39 0.95 -0.18 0.00 1.70 0.54 -0.05 118.95 121.52 1qka s ARG 413 Ca -0.01 1.06 -0.29 0.00 -0.47 0.00 0.00 55.73 56.02 1qka s ARG 413 Cb -0.03 -1.75 0.12 0.00 -0.57 0.00 0.00 34.95 32.72 1qka s ARG 413 CO -0.00 -2.52 0.99 0.00 -1.08 0.00 0.00 175.30 172.69 1qka s ALA 414 N -2.77 -1.93 -0.01 7.88 0.00 -0.08 -4.68 121.76 120.17 1qka s ALA 414 Ca 0.65 1.63 0.04 0.00 0.00 0.00 0.00 51.96 54.27 1qka s ALA 414 Cb -0.20 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 1qka s ALA 414 CO 0.58 -0.30 -0.12 0.20 0.00 0.00 0.00 175.76 176.13 1qka s GLY 415 N -0.88 0.61 -0.09 0.00 0.00 -1.26 -0.73 107.32 104.96 1qka s GLY 415 Ca -0.01 -0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.21 1qka s GLY 415 CO 0.01 -0.39 -0.12 0.86 0.00 0.00 0.00 173.10 173.45 1qka s TRP 416 N -0.22 1.67 -0.00 1.90 -0.11 -0.76 -4.97 118.94 116.45 1qka s TRP 416 Ca 0.03 -0.74 0.04 0.00 1.22 0.00 0.00 56.10 56.66 1qka s TRP 416 Cb -0.05 -1.25 -0.03 0.00 -1.50 0.00 0.00 33.47 30.64 1qka s TRP 416 CO -0.00 -0.41 -0.10 0.00 -4.62 0.00 0.00 176.95 171.82 1qka n ALA 418 N 1.71 1.24 -0.07 0.00 0.00 -0.09 -4.92 120.51 118.37 1qka n ALA 418 Ca -0.16 0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.37 1qka n ALA 418 Cb 0.52 -2.29 -0.16 0.00 0.00 0.00 0.00 19.45 17.52 1qka n ALA 418 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qka n ASP 419 N -0.75 0.00 -3.82 0.00 8.00 -1.26 -4.92 116.55 113.79 1qka n ASP 419 Ca 0.11 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.49 1qka n ASP 419 Cb 0.44 1.31 -0.09 0.00 -0.02 0.00 0.00 41.12 42.76 1qka n ASP 419 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1qka s TYR 420 N -2.82 -0.06 -1.27 1.24 1.13 -1.26 -4.71 117.35 109.60 1qka s TYR 420 Ca -0.09 0.06 -0.16 0.00 -1.41 0.00 0.00 57.07 55.47 1qka s TYR 420 Cb 0.09 0.02 0.11 0.00 -1.10 0.00 0.00 41.96 41.07 1qka s TYR 420 CO 0.86 -0.32 1.63 -1.71 -2.51 0.00 0.00 175.55 173.50 1qka n ASN 421 N 1.46 5.04 -3.63 -0.18 2.85 -1.26 -4.60 115.26 114.94 1qka n ASN 421 Ca -0.22 -2.94 -0.11 0.00 -0.11 0.00 0.00 54.58 51.20 1qka n ASN 421 Cb 0.56 -1.68 -0.07 0.00 1.24 0.00 0.00 39.78 39.83 1qka n ASN 421 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1qka s GLU 422 N 3.22 0.64 0.49 1.20 -6.30 -1.26 -4.34 118.70 112.34 1qka s GLU 422 Ca 0.50 0.71 0.22 0.00 -2.50 0.00 0.00 54.97 53.90 1qka s GLU 422 Cb 0.02 0.31 1.27 0.00 0.00 0.00 0.00 34.13 35.72 1qka s GLU 422 CO 0.05 -0.09 1.94 -1.35 0.02 0.00 0.00 175.26 175.83 1qka h PRO 423 N 4.38 0.17 0.00 4.30 0.11 -1.88 -1.45 132.00 137.64 1qka h PRO 423 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1qka h PRO 423 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1qka h PRO 423 CO 0.10 0.11 0.00 1.79 -0.21 0.00 0.00 178.00 179.80 1qka h THR 424 N 0.18 0.00 -0.41 -1.15 1.35 -1.95 -0.58 112.91 110.35 1qka h THR 424 Ca 0.35 -0.24 0.04 0.00 -0.55 0.00 0.00 66.41 66.01 1qka h THR 424 Cb 1.10 1.20 -0.02 0.00 -1.73 0.00 0.00 68.15 68.70 1qka h THR 424 CO -0.06 0.00 0.27 -1.28 -0.25 0.00 0.00 175.52 174.20 1qka h SER 425 N 0.00 0.34 0.00 5.36 0.87 -1.51 0.31 113.55 118.92 1qka h SER 425 Ca 0.00 -0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.47 1qka h SER 425 Cb 0.24 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1qka h SER 425 CO 0.00 0.24 -0.63 -0.26 -0.53 0.00 0.00 176.83 175.65 1qka h PHE 426 N 0.40 0.00 -0.40 2.24 -1.00 -1.39 -3.42 116.94 113.37 1qka h PHE 426 Ca 0.17 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.97 1qka h PHE 426 Cb 0.18 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 1qka h PHE 426 CO -0.00 0.67 0.27 -0.07 -1.61 0.00 0.00 178.31 177.57 1qka h LEU 427 N -1.00 0.39 -2.02 1.54 3.38 -0.93 -2.11 115.31 114.56 1qka h LEU 427 Ca -0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1qka h LEU 427 Cb 0.78 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1qka h LEU 427 CO -0.08 0.27 -0.05 0.78 0.09 0.00 0.00 178.44 179.46 1qka h ASN 428 N 0.46 0.00 0.83 -0.43 2.35 -1.19 -1.95 115.58 115.64 1qka h ASN 428 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1qka h ASN 428 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1qka h ASN 428 CO -0.04 0.05 0.00 0.35 -1.65 0.00 0.00 177.43 176.14 1qka n THR 429 N -3.29 0.72 0.69 2.81 -2.24 -0.79 -2.36 114.28 109.82 1qka n THR 429 Ca -0.01 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 1qka n THR 429 Cb 0.22 -0.92 0.16 0.00 -2.10 0.00 0.00 70.33 67.70 1qka n THR 429 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1qka n MET 430 N -1.92 2.40 -1.89 -0.78 2.81 -0.73 -3.44 117.12 113.57 1qka n MET 430 Ca 0.04 -2.08 -0.41 0.00 -1.81 0.00 0.00 57.70 53.44 1qka n MET 430 Cb 0.26 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.28 1qka n MET 430 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1qka s LEU 431 N -1.76 4.30 0.25 4.03 1.43 -1.00 -4.76 118.68 121.18 1qka s LEU 431 Ca 0.33 2.92 -0.10 0.00 -1.03 0.00 0.00 54.13 56.25 1qka s LEU 431 Cb 0.21 -3.72 0.37 0.00 0.03 0.00 0.00 46.19 43.08 1qka s LEU 431 CO 0.31 -0.84 1.58 0.28 0.23 0.00 0.00 176.35 177.91 1qka h SER 432 N 2.96 -0.83 -0.50 2.29 0.02 -1.88 -0.73 113.55 114.88 1qka h SER 432 Ca -0.50 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1qka h SER 432 Cb 1.24 0.55 0.00 0.00 0.14 0.00 0.00 62.40 64.33 1qka h SER 432 CO 0.64 -0.29 0.00 -0.90 -1.14 0.00 0.00 176.83 175.14 1qka n ASP 433 N -5.56 2.82 -4.75 3.07 5.75 -1.26 -4.89 116.55 111.74 1qka n ASP 433 Ca 0.13 -2.05 -0.41 0.00 -0.01 0.00 0.00 54.79 52.44 1qka n ASP 433 Cb 0.44 -0.36 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 1qka n ASP 433 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1qka s SER 434 N -0.96 6.68 0.35 -1.12 0.15 -0.28 -4.90 113.70 113.61 1qka s SER 434 Ca 0.34 2.65 0.26 0.00 0.70 0.00 0.00 55.95 59.90 1qka s SER 434 Cb 0.18 -2.62 1.20 0.00 -1.71 0.00 0.00 66.02 63.07 1qka s SER 434 CO 0.22 -0.68 1.80 0.77 1.20 0.00 0.00 173.24 176.55 1qka h SER 435 N 4.93 0.00 -0.33 5.45 4.64 -1.90 -1.54 113.55 124.79 1qka h SER 435 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1qka h SER 435 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1qka h SER 435 CO 0.77 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.32 1qka n ASN 436 N -2.45 2.44 -4.50 4.97 5.03 -1.25 -4.81 115.26 114.69 1qka n ASN 436 Ca 0.01 -1.88 -0.43 0.00 0.87 0.00 0.00 54.58 53.14 1qka n ASN 436 Cb 0.19 -0.21 -0.01 0.00 -1.02 0.00 0.00 39.78 38.72 1qka n ASN 436 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1qka s ASN 437 N -1.36 6.83 0.00 6.41 3.84 -0.58 -4.67 114.94 125.41 1qka s ASN 437 Ca 0.34 -2.42 0.27 0.00 0.21 0.00 0.00 52.86 51.26 1qka s ASN 437 Cb 0.19 -2.47 0.90 0.00 -0.55 0.00 0.00 41.25 39.31 1qka s ASN 437 CO 0.26 -1.03 1.68 0.35 -2.79 0.00 0.00 177.10 175.57 1qka n THR 438 N 5.57 0.00 0.29 -5.21 -2.24 -1.26 -3.00 114.28 108.43 1qka n THR 438 Ca 0.36 -0.01 0.14 0.00 -2.27 0.00 0.00 64.05 62.27 1qka n THR 438 Cb 0.46 -0.08 0.40 0.00 -2.10 0.00 0.00 70.33 69.01 1qka n THR 438 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qka h ALA 439 N 3.10 1.00 -5.96 6.98 0.00 -1.83 -3.46 119.26 119.09 1qka h ALA 439 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.49 1qka h ALA 439 Cb 0.48 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.37 1qka h ALA 439 CO 0.00 0.00 -0.70 0.72 0.00 0.00 0.00 179.25 179.27 1qka n HIS 440 N -2.95 -2.75 -3.62 0.00 8.25 -1.16 -1.26 115.22 111.73 1qka n HIS 440 Ca 0.03 0.99 -0.36 0.00 -0.26 0.00 0.00 57.72 58.12 1qka n HIS 440 Cb 0.42 -4.78 -0.07 0.00 1.12 0.00 0.00 29.99 26.68 1qka n HIS 440 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1qka s TYR 441 N -3.31 3.48 -0.24 4.41 5.04 -1.26 -3.93 117.35 121.53 1qka s TYR 441 Ca 0.61 0.55 -0.03 0.00 -2.44 0.00 0.00 57.07 55.77 1qka s TYR 441 Cb -0.28 -2.25 0.08 0.00 0.35 0.00 0.00 41.96 39.86 1qka s TYR 441 CO 0.76 0.33 0.07 0.15 -1.34 0.00 0.00 175.55 175.52 1qka s LYS 442 N 0.17 0.52 -0.22 4.97 1.02 -1.26 -4.19 119.74 120.75 1qka s LYS 442 Ca 0.15 -0.57 -0.01 0.00 0.02 0.00 0.00 55.97 55.55 1qka s LYS 442 Cb -0.13 -1.87 0.06 0.00 -0.52 0.00 0.00 37.83 35.37 1qka s LYS 442 CO 0.03 -0.80 0.00 0.45 -0.92 0.00 0.00 175.35 174.11 1qka s SER 443 N 1.87 3.40 0.26 2.83 0.15 -1.26 -5.00 113.70 115.94 1qka s SER 443 Ca 0.04 -1.04 -0.03 0.00 0.70 0.00 0.00 55.95 55.62 1qka s SER 443 Cb -0.17 -0.87 0.41 0.00 -1.71 0.00 0.00 66.02 63.68 1qka s SER 443 CO -0.18 -0.28 1.84 -0.65 1.20 0.00 0.00 173.24 175.17 1qka h PRO 444 N 8.11 0.95 0.01 5.44 0.11 -1.99 0.19 132.00 144.83 1qka h PRO 444 Ca -0.17 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.89 1qka h PRO 444 Cb 1.09 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1qka h PRO 444 CO 0.38 0.63 -0.01 0.00 -0.21 0.00 0.00 178.00 178.79 1qka h ALA 445 N 1.46 -0.02 -0.37 -0.75 0.00 -1.99 -0.56 119.26 117.02 1qka h ALA 445 Ca 0.42 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1qka h ALA 445 Cb 0.29 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1qka h ALA 445 CO -0.21 -0.51 0.23 0.35 0.00 0.00 0.00 179.25 179.10 1qka h PHE 446 N -0.02 0.48 -0.76 0.00 3.04 -1.73 -1.94 116.94 116.01 1qka h PHE 446 Ca -0.00 0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.04 1qka h PHE 446 Cb 0.02 -0.16 -0.07 0.00 2.56 0.00 0.00 35.95 38.30 1qka h PHE 446 CO -0.08 0.34 0.42 -0.44 -2.02 0.00 0.00 178.31 176.53 1qka h ASP 447 N 0.49 0.59 -0.48 0.41 3.32 -0.24 -2.32 116.42 118.18 1qka h ASP 447 Ca 0.13 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1qka h ASP 447 Cb -0.01 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1qka h ASP 447 CO -0.03 0.35 0.19 0.50 -1.72 0.00 0.00 179.24 178.53 1qka h LYS 448 N 0.72 0.72 -0.45 3.56 1.63 -0.92 -0.56 116.57 121.26 1qka h LYS 448 Ca 0.36 -0.13 0.05 0.00 -0.85 0.00 0.00 60.65 60.07 1qka h LYS 448 Cb 0.32 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.79 1qka h LYS 448 CO -0.24 0.65 0.20 -0.07 -3.45 0.00 0.00 179.45 176.55 1qka h LEU 449 N 0.63 0.27 -0.60 5.20 3.38 -0.83 -0.72 115.31 122.64 1qka h LEU 449 Ca 0.16 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.03 1qka h LEU 449 Cb 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1qka h LEU 449 CO -0.01 0.19 -0.36 0.40 0.09 0.00 0.00 178.44 178.75 1qka h ILE 450 N 0.41 1.29 -0.61 1.22 1.08 -1.24 -2.80 117.51 116.86 1qka h ILE 450 Ca 0.20 -1.52 -0.01 0.00 -0.39 0.00 0.00 64.86 63.14 1qka h ILE 450 Cb 0.15 1.44 -0.03 0.00 -3.07 0.00 0.00 36.82 35.30 1qka h ILE 450 CO -0.17 0.49 0.33 0.00 -0.69 0.00 0.00 178.15 178.11 1qka h ALA 451 N 1.01 1.44 0.00 1.87 0.00 -0.78 -2.01 119.26 120.79 1qka h ALA 451 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1qka h ALA 451 Cb 0.89 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1qka h ALA 451 CO 0.08 0.46 -0.11 -0.44 0.00 0.00 0.00 179.25 179.24 1qka h ASP 452 N 0.84 0.00 0.05 0.00 3.32 -0.86 -3.29 116.42 116.47 1qka h ASP 452 Ca 0.22 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1qka h ASP 452 Cb 0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1qka h ASP 452 CO -0.04 0.11 -0.03 0.71 -1.72 0.00 0.00 179.24 178.28 1qka h THR 453 N 0.00 0.75 -0.43 0.35 1.35 -1.28 -1.90 112.91 111.75 1qka h THR 453 Ca -0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1qka h THR 453 Cb 0.48 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1qka h THR 453 CO 0.01 0.03 0.00 0.18 -0.25 0.00 0.00 175.52 175.49 1qka n LEU 454 N -4.11 3.15 -0.02 3.87 4.77 -1.24 -4.31 117.00 119.11 1qka n LEU 454 Ca -0.03 -1.93 -0.07 0.00 -0.03 0.00 0.00 56.01 53.96 1qka n LEU 454 Cb 0.11 -0.28 -0.13 0.00 -2.33 0.00 0.00 43.42 40.79 1qka n LEU 454 CO 0.31 0.78 -0.54 0.29 -1.33 0.00 0.00 177.39 176.89 1qka n LYS 455 N 0.84 0.64 -3.15 3.23 5.02 -0.72 -4.71 118.16 119.30 1qka n LYS 455 Ca 0.15 0.24 -0.32 0.00 -2.02 0.00 0.00 58.31 56.36 1qka n LYS 455 Cb 0.47 -1.76 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 1qka n LYS 455 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1qka s VAL 456 N -2.67 4.69 -0.47 -0.18 -7.23 -1.19 -4.98 120.40 108.37 1qka s VAL 456 Ca -0.05 0.93 0.03 0.00 -1.81 0.00 0.00 61.98 61.08 1qka s VAL 456 Cb 0.08 -3.61 0.46 0.00 0.56 0.00 0.00 36.38 33.87 1qka s VAL 456 CO 0.82 -0.18 1.62 0.00 -0.31 0.00 0.00 175.10 177.05 1qka n ALA 457 N -0.36 5.59 -3.24 1.32 0.00 -1.26 -4.97 120.51 117.58 1qka n ALA 457 Ca 0.03 -3.58 -0.18 0.00 0.00 0.00 0.00 53.44 49.72 1qka n ALA 457 Cb 0.53 -1.05 -0.15 0.00 0.00 0.00 0.00 19.45 18.78 1qka n ALA 457 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qka s ASP 458 N -2.66 0.76 0.09 0.00 2.15 -1.26 -5.07 116.67 110.68 1qka s ASP 458 Ca 0.57 -0.11 -0.17 0.00 0.43 0.00 0.00 52.55 53.28 1qka s ASP 458 Cb 0.46 -0.25 -0.09 0.00 -0.30 0.00 0.00 42.92 42.74 1qka s ASP 458 CO 0.02 -0.00 1.44 0.44 -0.17 0.00 0.00 175.17 176.90 1qka h ASP 459 N 6.65 0.61 -0.03 -0.34 3.32 -1.96 -2.64 116.42 122.02 1qka h ASP 459 Ca -0.35 -0.42 -0.14 0.00 0.02 0.00 0.00 57.03 56.14 1qka h ASP 459 Cb 1.17 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1qka h ASP 459 CO 0.49 0.90 -0.43 0.74 -1.72 0.00 0.00 179.24 179.22 1qka h THR 460 N 0.32 1.30 -0.21 0.35 2.02 -1.99 -0.46 112.91 114.24 1qka h THR 460 Ca 0.06 -1.60 -0.10 0.00 0.77 0.00 0.00 66.41 65.53 1qka h THR 460 Cb 0.68 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1qka h THR 460 CO 0.05 0.50 -0.30 1.56 0.37 0.00 0.00 175.52 177.70 1qka h GLN 461 N 0.46 0.42 -0.38 6.66 4.20 -2.00 -1.64 115.11 122.83 1qka h GLN 461 Ca 0.04 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 1qka h GLN 461 Cb 0.93 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1qka h GLN 461 CO 0.08 0.68 -0.00 -0.09 -0.67 0.00 0.00 178.83 178.83 1qka h ARG 462 N 0.37 0.68 -0.48 1.46 2.43 -1.01 -1.68 114.38 116.15 1qka h ARG 462 Ca 0.05 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 1qka h ARG 462 Cb 0.71 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1qka h ARG 462 CO 0.05 0.78 0.05 0.77 -1.51 0.00 0.00 179.97 180.10 1qka h SER 463 N 0.50 0.73 -0.60 -3.80 0.02 -0.88 -1.57 113.55 107.94 1qka h SER 463 Ca 0.11 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.81 1qka h SER 463 Cb 0.47 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1qka h SER 463 CO 0.02 0.77 0.03 -0.33 -1.14 0.00 0.00 176.83 176.18 1qka h GLU 464 N 0.73 1.06 -0.57 3.45 5.08 -1.06 -1.57 114.58 121.70 1qka h GLU 464 Ca 0.15 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1qka h GLU 464 Cb 0.38 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1qka h GLU 464 CO 0.01 1.01 0.03 -0.07 -1.00 0.00 0.00 179.01 178.99 1qka h LEU 465 N 0.97 0.95 -0.62 1.33 3.38 -0.84 -0.35 115.31 120.13 1qka h LEU 465 Ca 0.18 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1qka h LEU 465 Cb 0.52 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1qka h LEU 465 CO 0.02 1.01 0.40 1.88 0.09 0.00 0.00 178.44 181.85 1qka h TYR 466 N 0.87 0.79 -0.68 1.13 0.05 -1.08 0.25 116.97 118.29 1qka h TYR 466 Ca 0.16 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.97 1qka h TYR 466 Cb 0.50 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 37.94 1qka h TYR 466 CO 0.04 0.51 0.44 0.00 -1.05 0.00 0.00 178.16 178.10 1qka h ALA 467 N 1.22 0.87 -0.31 3.88 0.00 -0.94 -0.13 119.26 123.86 1qka h ALA 467 Ca 0.23 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1qka h ALA 467 Cb -0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1qka h ALA 467 CO -0.05 0.26 -0.27 0.87 0.00 0.00 0.00 179.25 180.07 1qka h LYS 468 N 0.90 0.63 -0.58 0.00 1.79 -0.49 -0.50 116.57 118.32 1qka h LYS 468 Ca 0.26 -0.26 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1qka h LYS 468 Cb -0.07 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 1qka h LYS 468 CO -0.07 0.84 0.34 0.00 -1.08 0.00 0.00 179.45 179.48 1qka h ALA 469 N 1.16 0.74 -0.70 3.86 0.00 -0.12 0.37 119.26 124.58 1qka h ALA 469 Ca 0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1qka h ALA 469 Cb 0.74 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1qka h ALA 469 CO 0.06 0.23 0.26 0.93 0.00 0.00 0.00 179.25 180.73 1qka h GLU 470 N 0.78 1.05 -0.56 0.00 4.39 -0.65 -1.03 114.58 118.57 1qka h GLU 470 Ca 0.21 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1qka h GLU 470 Cb -0.00 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 1qka h GLU 470 CO -0.04 0.88 0.31 1.96 -1.16 0.00 0.00 179.01 180.96 1qka h GLN 471 N 1.00 0.76 -0.32 2.33 4.20 -0.51 -0.08 115.11 122.49 1qka h GLN 471 Ca 0.23 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 1qka h GLN 471 Cb 0.23 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1qka h GLN 471 CO -0.02 0.56 -0.14 0.37 -0.67 0.00 0.00 178.83 178.94 1qka h GLN 472 N 0.77 0.67 -0.68 1.46 5.75 -0.45 0.16 115.11 122.80 1qka h GLN 472 Ca 0.20 -0.28 0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1qka h GLN 472 Cb 0.02 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 1qka h GLN 472 CO -0.03 0.87 0.44 1.25 -2.65 0.00 0.00 178.83 178.71 1qka h LEU 473 N 0.44 0.74 -0.35 -2.39 5.85 -0.63 -1.67 115.31 117.29 1qka h LEU 473 Ca 0.07 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1qka h LEU 473 Cb 0.66 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1qka h LEU 473 CO 0.04 0.52 0.02 -0.78 -0.34 0.00 0.00 178.44 177.91 1qka h ASP 474 N 0.87 0.59 -0.60 1.25 3.58 -0.85 -0.81 116.42 120.46 1qka h ASP 474 Ca 0.26 -0.29 0.04 0.00 0.42 0.00 0.00 57.03 57.47 1qka h ASP 474 Cb -0.05 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 1qka h ASP 474 CO -0.08 0.73 0.39 0.50 -2.88 0.00 0.00 179.24 177.91 1qka h LYS 475 N 0.43 0.63 0.00 0.28 3.64 -0.39 0.02 116.57 121.18 1qka h LYS 475 Ca 0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1qka h LYS 475 Cb 0.42 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1qka h LYS 475 CO 0.01 0.42 -0.39 -0.25 -2.27 0.00 0.00 179.45 176.97 1qka n ASP 476 N -4.47 0.42 -3.80 4.20 8.00 -0.65 -4.95 116.55 115.29 1qka n ASP 476 Ca 0.08 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.33 1qka n ASP 476 Cb 0.18 0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.32 1qka n ASP 476 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1qka n SER 477 N -1.61 -1.61 -0.31 -2.24 7.64 -0.01 -4.84 113.62 110.65 1qka n SER 477 Ca 0.06 -0.94 -0.02 0.00 1.01 0.00 0.00 58.87 58.97 1qka n SER 477 Cb 0.35 -3.50 0.14 0.00 -1.01 0.00 0.00 64.21 60.19 1qka n SER 477 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qka h ALA 478 N 0.83 1.26 -1.78 -0.43 0.00 -1.72 -3.43 119.26 113.99 1qka h ALA 478 Ca -0.63 -0.11 -0.53 0.00 0.00 0.00 0.00 54.91 53.65 1qka h ALA 478 Cb 1.37 -0.35 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 1qka h ALA 478 CO 0.57 0.62 -0.54 0.96 0.00 0.00 0.00 179.25 180.87 1qka s ILE 479 N -5.86 0.70 -0.48 0.00 -4.36 -1.26 -4.11 121.20 105.83 1qka s ILE 479 Ca -0.12 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.26 1qka s ILE 479 Cb 0.17 -2.46 0.13 0.00 1.25 0.00 0.00 42.46 41.55 1qka s ILE 479 CO 0.82 0.00 0.26 -0.69 0.24 0.00 0.00 174.94 175.57 1qka s VAL 480 N -3.27 3.18 0.29 8.37 1.01 -0.44 -4.87 120.40 124.67 1qka s VAL 480 Ca 0.27 -2.55 -0.29 0.00 0.00 0.00 0.00 61.98 59.41 1qka s VAL 480 Cb 0.04 -3.16 -0.10 0.00 0.00 0.00 0.00 36.38 33.16 1qka s VAL 480 CO 0.15 -0.75 1.40 -2.84 0.00 0.00 0.00 175.10 173.05 1qka s PRO 481 N 0.54 4.28 0.03 2.72 0.02 -1.26 -0.12 135.00 141.21 1qka s PRO 481 Ca 0.12 2.30 -0.01 0.00 0.02 0.00 0.00 61.00 63.43 1qka s PRO 481 Cb -0.22 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.21 1qka s PRO 481 CO -0.04 -0.35 -0.03 0.28 -0.33 0.00 0.00 177.00 176.53 1qka n VAL 482 N 1.63 0.63 -3.71 3.83 0.31 -0.32 -4.71 118.33 115.99 1qka n VAL 482 Ca 0.04 0.22 -0.10 0.00 -0.01 0.00 0.00 64.34 64.49 1qka n VAL 482 Cb 0.41 -1.39 -0.05 0.00 -0.91 0.00 0.00 33.84 31.89 1qka n VAL 482 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1qka s TYR 483 N -1.57 -0.08 -0.15 3.52 -0.85 -0.95 -1.14 117.35 116.14 1qka s TYR 483 Ca -0.02 -0.28 -0.17 0.00 -0.52 0.00 0.00 57.07 56.08 1qka s TYR 483 Cb 0.00 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.46 1qka s TYR 483 CO 0.03 -0.66 0.44 0.71 -1.52 0.00 0.00 175.55 174.55 1qka s TYR 484 N -3.83 3.46 0.61 -3.49 2.02 0.18 -0.28 117.35 116.03 1qka s TYR 484 Ca 0.04 0.78 -0.18 0.00 -0.37 0.00 0.00 57.07 57.35 1qka s TYR 484 Cb 0.03 -2.53 -0.03 0.00 -0.40 0.00 0.00 41.96 39.03 1qka s TYR 484 CO -0.11 0.12 1.16 0.71 -1.57 0.00 0.00 175.55 175.85 1qka s TYR 485 N 0.84 2.50 0.12 2.71 1.51 -0.45 -1.91 117.35 122.67 1qka s TYR 485 Ca 0.23 1.54 0.04 0.00 -1.01 0.00 0.00 57.07 57.88 1qka s TYR 485 Cb -0.15 -3.33 -0.04 0.00 -0.11 0.00 0.00 41.96 38.33 1qka s TYR 485 CO 0.09 -1.91 0.10 0.14 -1.11 0.00 0.00 175.55 172.86 1qka s VAL 486 N -1.89 4.49 -0.63 0.71 -7.23 -1.26 -3.72 120.40 110.87 1qka s VAL 486 Ca 0.73 -0.93 -0.22 0.00 -1.81 0.00 0.00 61.98 59.74 1qka s VAL 486 Cb -0.25 -3.23 0.07 0.00 0.56 0.00 0.00 36.38 33.53 1qka s VAL 486 CO 0.35 0.01 0.91 0.21 -0.31 0.00 0.00 175.10 176.27 1qka s ASN 487 N -2.74 6.20 -0.16 4.85 3.84 0.10 -4.88 114.94 122.14 1qka s ASN 487 Ca 0.30 -0.95 -0.02 0.00 0.21 0.00 0.00 52.86 52.40 1qka s ASN 487 Cb -0.11 -2.40 -0.01 0.00 -0.55 0.00 0.00 41.25 38.17 1qka s ASN 487 CO 0.23 -1.35 -0.09 0.00 -2.79 0.00 0.00 177.10 173.09 1qka s ALA 488 N 3.82 2.73 0.27 1.71 0.00 -1.26 -2.20 121.76 126.83 1qka s ALA 488 Ca 0.22 -0.96 -0.18 0.00 0.00 0.00 0.00 51.96 51.04 1qka s ALA 488 Cb -0.17 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.56 1qka s ALA 488 CO 0.11 0.05 0.64 -0.98 0.00 0.00 0.00 175.76 175.58 1qka s ARG 489 N 0.67 1.71 -0.09 0.00 1.70 -0.54 -4.14 118.95 118.26 1qka s ARG 489 Ca -0.05 -1.09 -0.01 0.00 -0.47 0.00 0.00 55.73 54.11 1qka s ARG 489 Cb -0.15 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.76 1qka s ARG 489 CO 0.02 -0.76 -0.04 -0.51 -1.08 0.00 0.00 175.30 172.93 1qka s LEU 490 N -2.96 3.31 -0.05 -1.89 1.43 -1.26 -0.57 118.68 116.70 1qka s LEU 490 Ca 0.15 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1qka s LEU 490 Cb -0.04 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.46 1qka s LEU 490 CO 0.08 0.33 -0.02 -0.69 0.23 0.00 0.00 176.35 176.28 1qka s VAL 491 N -0.61 0.43 0.56 -1.59 1.01 -0.59 -1.66 120.40 117.95 1qka s VAL 491 Ca 0.09 -0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.86 1qka s VAL 491 Cb -0.12 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1qka s VAL 491 CO 0.02 0.22 1.23 -0.54 0.00 0.00 0.00 175.10 176.03 1qka s LYS 492 N 1.26 3.12 0.64 2.72 -0.14 -0.80 -4.57 119.74 121.97 1qka s LYS 492 Ca -0.06 1.90 0.42 0.00 -1.36 0.00 0.00 55.97 56.87 1qka s LYS 492 Cb -0.14 -2.06 2.19 0.00 -1.68 0.00 0.00 37.83 36.14 1qka s LYS 492 CO -0.02 -1.11 2.29 -1.35 -0.76 0.00 0.00 175.35 174.40 1qka h PRO 493 N 1.16 0.00 -0.01 -1.68 0.11 -1.92 -1.90 132.00 127.76 1qka h PRO 493 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1qka h PRO 493 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1qka h PRO 493 CO 0.56 0.00 -0.02 -2.67 -0.21 0.00 0.00 178.00 175.66 1qka n TRP 494 N -3.10 0.00 -2.97 0.65 2.14 -1.26 -4.75 117.44 108.14 1qka n TRP 494 Ca -0.02 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.12 1qka n TRP 494 Cb 0.12 -0.01 -0.05 0.00 -0.81 0.00 0.00 31.31 30.56 1qka n TRP 494 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1qka s VAL 495 N -2.04 4.66 0.24 -1.67 1.01 -0.72 -0.23 120.40 121.65 1qka s VAL 495 Ca 0.37 0.47 -0.00 0.00 0.00 0.00 0.00 61.98 62.81 1qka s VAL 495 Cb 0.21 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1qka s VAL 495 CO 0.35 -0.68 0.43 -0.83 0.00 0.00 0.00 175.10 174.36 1qka s GLY 496 N 2.10 1.66 0.00 4.51 0.00 0.27 -4.58 107.32 111.28 1qka s GLY 496 Ca 0.30 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1qka s GLY 496 CO 0.22 -0.82 0.00 0.61 0.00 0.00 0.00 173.10 173.11 1qka n GLY 497 N -0.96 0.27 3.24 0.20 0.00 -1.26 -1.69 105.19 104.99 1qka n GLY 497 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1qka n GLY 497 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qka s TYR 498 N -2.00 3.37 0.03 1.61 5.04 -1.26 -4.81 117.35 119.33 1qka s TYR 498 Ca 0.00 -1.69 -0.20 0.00 -2.44 0.00 0.00 57.07 52.74 1qka s TYR 498 Cb 0.00 -3.60 -0.15 0.00 0.35 0.00 0.00 41.96 38.56 1qka s TYR 498 CO 0.00 -1.00 1.30 1.79 -1.34 0.00 0.00 175.55 176.30 1qka h THR 499 N 6.06 1.37 0.00 4.34 1.35 -1.97 -3.48 112.91 120.58 1qka h THR 499 Ca -0.24 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 1qka h THR 499 Cb 1.08 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 1qka h THR 499 CO 0.92 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 177.22 1qka n GLY 500 N 0.35 0.75 0.20 5.82 0.00 -1.26 -4.94 105.19 106.10 1qka n GLY 500 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1qka n GLY 500 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qka h LYS 501 N 3.08 0.00 -6.19 1.61 1.79 -1.89 -3.43 116.57 111.54 1qka h LYS 501 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 1qka h LYS 501 Cb 0.00 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.57 1qka h LYS 501 CO 0.00 0.00 0.69 0.34 -1.08 0.00 0.00 179.45 179.40 1qka s ASP 502 N -5.76 6.75 0.06 0.86 2.15 -1.24 -4.86 116.67 114.62 1qka s ASP 502 Ca 0.07 0.71 0.19 0.00 0.43 0.00 0.00 52.55 53.95 1qka s ASP 502 Cb 0.07 -2.49 0.80 0.00 -0.30 0.00 0.00 42.92 40.99 1qka s ASP 502 CO 0.64 -0.89 1.60 -0.81 -0.17 0.00 0.00 175.17 175.54 1qka n PRO 503 N 6.87 0.05 0.01 4.34 -0.04 -1.26 -1.01 135.00 143.96 1qka n PRO 503 Ca 0.09 0.24 0.11 0.00 -0.04 0.00 0.00 63.50 63.90 1qka n PRO 503 Cb 0.48 -1.58 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 1qka n PRO 503 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1qka n LEU 504 N -1.67 0.55 -3.71 1.53 4.77 -1.26 -0.53 117.00 116.68 1qka n LEU 504 Ca 0.04 -0.11 -0.22 0.00 -0.03 0.00 0.00 56.01 55.69 1qka n LEU 504 Cb 0.22 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1qka n LEU 504 CO 0.18 0.07 -0.04 -0.67 -1.33 0.00 0.00 177.39 175.60 1qka n ASP 505 N -1.96 -1.62 -3.88 -1.43 2.03 -0.18 -4.89 116.55 104.62 1qka n ASP 505 Ca 0.01 -0.80 -0.42 0.00 0.52 0.00 0.00 54.79 54.09 1qka n ASP 505 Cb 0.45 -4.11 0.00 0.00 -0.72 0.00 0.00 41.12 36.75 1qka n ASP 505 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1qka n ASN 506 N -3.04 4.76 -4.75 1.67 3.02 -1.26 -4.98 115.26 110.68 1qka n ASN 506 Ca -0.26 -3.03 -0.40 0.00 -0.03 0.00 0.00 54.58 50.86 1qka n ASN 506 Cb 0.66 -1.54 -0.05 0.00 -0.61 0.00 0.00 39.78 38.25 1qka n ASN 506 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1qka s ILE 507 N 1.31 3.69 -0.16 2.41 1.01 -1.26 -4.85 121.20 123.34 1qka s ILE 507 Ca 0.42 1.64 0.00 0.00 0.00 0.00 0.00 60.65 62.71 1qka s ILE 507 Cb 0.10 -4.04 -0.00 0.00 0.01 0.00 0.00 42.46 38.53 1qka s ILE 507 CO -0.02 0.36 -0.15 -0.31 0.00 0.00 0.00 174.94 174.82 1qka s TYR 508 N -0.94 2.79 0.33 3.97 1.51 -1.26 -4.82 117.35 118.93 1qka s TYR 508 Ca 0.45 -1.08 0.38 0.00 -1.01 0.00 0.00 57.07 55.81 1qka s TYR 508 Cb -0.30 -1.90 1.78 0.00 -0.11 0.00 0.00 41.96 41.43 1qka s TYR 508 CO 0.38 -0.50 2.14 0.28 -1.11 0.00 0.00 175.55 176.74 1qka h VAL 509 N 5.69 0.02 0.00 0.71 2.07 -1.94 -1.33 116.25 121.47 1qka h VAL 509 Ca -0.34 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1qka h VAL 509 Cb 1.19 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1qka h VAL 509 CO 0.57 0.01 0.00 0.07 0.02 0.00 0.00 177.57 178.24 1qka h LYS 510 N 0.00 0.00 -0.01 1.57 2.10 -1.95 -1.60 116.57 116.68 1qka h LYS 510 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1qka h LYS 510 Cb 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1qka h LYS 510 CO 0.00 0.00 -0.33 0.09 -2.00 0.00 0.00 179.45 177.21 1qka n ASN 511 N -2.96 1.21 -5.00 7.07 3.02 -0.50 -0.25 115.26 117.84 1qka n ASN 511 Ca -0.02 -1.00 -0.18 0.00 -0.03 0.00 0.00 54.58 53.35 1qka n ASN 511 Cb 0.11 0.23 0.02 0.00 -0.61 0.00 0.00 39.78 39.53 1qka n ASN 511 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qka s LEU 512 N -2.53 3.52 -0.01 3.41 1.43 -0.60 -4.47 118.68 119.42 1qka s LEU 512 Ca 0.22 -0.43 -0.26 0.00 -1.03 0.00 0.00 54.13 52.64 1qka s LEU 512 Cb 0.19 -2.53 0.06 0.00 0.03 0.00 0.00 46.19 43.94 1qka s LEU 512 CO 0.55 -0.92 0.57 -0.72 0.23 0.00 0.00 176.35 176.06 1qka s TYR 513 N -2.46 -0.51 -0.27 0.29 -0.85 -0.68 -4.12 117.35 108.74 1qka s TYR 513 Ca 0.57 0.79 -0.11 0.00 -0.52 0.00 0.00 57.07 57.79 1qka s TYR 513 Cb -0.09 0.34 -0.05 0.00 0.38 0.00 0.00 41.96 42.54 1qka s TYR 513 CO 0.35 -0.59 0.20 0.42 -1.52 0.00 0.00 175.55 174.41 1qka s ILE 514 N -1.62 5.30 0.25 -3.49 -1.09 -1.26 -0.57 121.20 118.73 1qka s ILE 514 Ca -0.10 0.21 -0.30 0.00 -2.23 0.00 0.00 60.65 58.24 1qka s ILE 514 Cb -0.01 -3.54 -0.09 0.00 -1.58 0.00 0.00 42.46 37.24 1qka s ILE 514 CO 0.05 0.25 0.95 -0.63 -1.23 0.00 0.00 174.94 174.34 1qka s ILE 515 N 1.71 4.04 0.21 2.92 1.01 0.67 -0.50 121.20 131.27 1qka s ILE 515 Ca 0.08 2.02 -0.32 0.00 0.00 0.00 0.00 60.65 62.42 1qka s ILE 515 Cb -0.16 -4.27 -0.14 0.00 0.01 0.00 0.00 42.46 37.91 1qka s ILE 515 CO 0.10 0.45 1.48 1.17 0.00 0.00 0.00 174.94 178.14 1qka n LYS 516 N 1.36 2.09 0.00 2.79 4.81 0.34 -4.36 118.16 125.19 1qka n LYS 516 Ca -0.01 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1qka n LYS 516 Cb 0.47 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.07 1qka n LYS 516 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18