#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ka0 s VAL 48 N 0.00 4.80 0.24 1.59 1.01 -1.26 -5.05 120.40 121.73 3ka0 s VAL 48 Ca 0.00 0.58 0.08 0.00 0.00 0.00 0.00 61.98 62.64 3ka0 s VAL 48 Cb 0.00 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3ka0 s VAL 48 CO 0.00 -0.44 0.08 -0.54 0.00 0.00 0.00 175.10 174.20 3ka0 s LYS 49 N 2.91 2.59 0.55 2.72 3.01 -1.26 -5.10 119.74 125.17 3ka0 s LYS 49 Ca 0.27 -1.19 -0.18 0.00 -1.01 0.00 0.00 55.97 53.85 3ka0 s LYS 49 Cb -0.14 -2.38 -0.05 0.00 -1.01 0.00 0.00 37.83 34.25 3ka0 s LYS 49 CO 0.17 0.40 1.08 -1.54 0.51 0.00 0.00 175.35 175.97 3ka0 s SER 50 N -3.57 5.87 0.95 2.83 1.04 -1.26 -5.04 113.70 114.51 3ka0 s SER 50 Ca 0.31 1.98 -0.15 0.00 0.48 0.00 0.00 55.95 58.57 3ka0 s SER 50 Cb -0.08 -2.56 0.18 0.00 0.10 0.00 0.00 66.02 63.67 3ka0 s SER 50 CO 0.22 -1.11 1.27 -0.83 0.98 0.00 0.00 173.24 173.77 3ka0 s GLY 51 N -2.19 1.72 -0.05 7.32 0.00 -1.26 -5.01 107.32 107.84 3ka0 s GLY 51 Ca 0.68 -1.05 -0.28 0.00 0.00 0.00 0.00 44.72 44.07 3ka0 s GLY 51 CO 0.29 -0.33 0.91 -2.27 0.00 0.00 0.00 173.10 171.69 3ka0 s LEU 52 N -5.92 4.31 -0.26 0.66 2.96 -1.26 -5.03 118.68 114.15 3ka0 s LEU 52 Ca 0.71 1.48 0.03 0.00 -0.22 0.00 0.00 54.13 56.13 3ka0 s LEU 52 Cb -0.06 -3.42 0.06 0.00 0.50 0.00 0.00 46.19 43.27 3ka0 s LEU 52 CO 0.52 -0.28 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.59 3ka0 s GLN 53 N 1.27 2.21 -0.44 1.98 0.74 -1.26 -5.07 119.66 119.09 3ka0 s GLN 53 Ca 0.47 -1.33 -0.27 0.00 0.05 0.00 0.00 55.36 54.28 3ka0 s GLN 53 Cb -0.19 -2.88 0.02 0.00 1.10 0.00 0.00 33.01 31.07 3ka0 s GLN 53 CO 0.22 -0.57 0.99 0.42 -0.55 0.00 0.00 175.29 175.80 3ka0 s ILE 54 N 1.11 4.43 0.44 -2.34 1.01 -1.26 -4.56 121.20 120.03 3ka0 s ILE 54 Ca -0.09 1.04 -0.25 0.00 0.00 0.00 0.00 60.65 61.35 3ka0 s ILE 54 Cb -0.20 -4.46 -0.08 0.00 0.01 0.00 0.00 42.46 37.74 3ka0 s ILE 54 CO -0.05 -0.79 1.29 -0.54 0.00 0.00 0.00 174.94 174.84 3ka0 s LYS 55 N 3.88 3.78 0.00 2.79 1.02 -0.69 -4.82 119.74 125.69 3ka0 s LYS 55 Ca 0.41 2.10 0.02 0.00 0.02 0.00 0.00 55.97 58.52 3ka0 s LYS 55 Cb -0.10 -2.60 -0.00 0.00 -0.52 0.00 0.00 37.83 34.61 3ka0 s LYS 55 CO 0.25 -0.63 0.36 1.63 -0.92 0.00 0.00 175.35 176.04 3ka0 n LYS 56 N -0.20 2.49 -1.74 1.68 4.76 -1.26 -0.94 118.16 122.95 3ka0 n LYS 56 Ca 0.06 -0.35 -0.32 0.00 -2.87 0.00 0.00 58.31 54.82 3ka0 n LYS 56 Cb 0.45 -0.85 0.04 0.00 -1.84 0.00 0.00 35.03 32.83 3ka0 n LYS 56 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3ka0 s ASN 57 N -0.66 5.20 0.08 4.39 4.22 -1.26 -4.83 114.94 122.08 3ka0 s ASN 57 Ca 0.02 1.90 -0.31 0.00 -2.14 0.00 0.00 52.86 52.32 3ka0 s ASN 57 Cb 0.02 -2.54 -0.11 0.00 1.28 0.00 0.00 41.25 39.90 3ka0 s ASN 57 CO 0.06 -1.56 1.86 0.00 -2.04 0.00 0.00 177.10 175.42 3ka0 n ALA 58 N -2.54 1.84 -0.03 3.54 0.00 -1.26 -4.82 120.51 117.23 3ka0 n ALA 58 Ca 0.10 0.29 0.23 0.00 0.00 0.00 0.00 53.44 54.06 3ka0 n ALA 58 Cb 0.52 -2.59 0.71 0.00 0.00 0.00 0.00 19.45 18.10 3ka0 n ALA 58 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3ka0 h ILE 59 N 4.93 0.61 0.00 0.00 2.10 -1.95 -0.33 117.51 122.87 3ka0 h ILE 59 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.47 3ka0 h ILE 59 Cb 1.23 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 3ka0 h ILE 59 CO 0.94 0.00 0.00 2.30 -1.08 0.00 0.00 178.15 180.31 3ka0 n ILE 60 N -4.21 0.00 0.12 2.19 -5.35 -1.26 -1.35 119.36 109.50 3ka0 n ILE 60 Ca 0.12 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.62 3ka0 n ILE 60 Cb 0.71 -0.71 0.01 0.00 -1.74 0.00 0.00 39.64 37.90 3ka0 n ILE 60 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3ka0 h ASP 61 N 0.00 0.00 0.00 7.28 3.45 -1.42 -3.39 116.42 122.34 3ka0 h ASP 61 Ca 0.00 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.39 3ka0 h ASP 61 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 3ka0 h ASP 61 CO 0.00 0.50 -1.34 0.47 -1.57 0.00 0.00 179.24 177.30 3ka0 n ASP 62 N -3.15 3.71 -4.07 6.45 8.00 -0.45 -4.92 116.55 122.12 3ka0 n ASP 62 Ca -0.00 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.30 3ka0 n ASP 62 Cb 0.75 0.77 -0.14 0.00 -0.02 0.00 0.00 41.12 42.47 3ka0 n ASP 62 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3ka0 s TYR 63 N -2.19 0.99 -0.21 1.24 2.02 -0.91 -1.04 117.35 117.25 3ka0 s TYR 63 Ca -0.02 -0.22 -0.29 0.00 -0.37 0.00 0.00 57.07 56.16 3ka0 s TYR 63 Cb 0.02 -0.63 -0.03 0.00 -0.40 0.00 0.00 41.96 40.93 3ka0 s TYR 63 CO 0.22 -0.01 1.60 0.15 -1.57 0.00 0.00 175.55 175.94 3ka0 s LYS 64 N -0.45 3.83 -0.06 -0.62 1.02 0.15 -4.27 119.74 119.33 3ka0 s LYS 64 Ca 0.03 1.68 -0.05 0.00 0.02 0.00 0.00 55.97 57.65 3ka0 s LYS 64 Cb -0.05 -4.02 0.02 0.00 -0.52 0.00 0.00 37.83 33.26 3ka0 s LYS 64 CO -0.00 -1.25 0.17 0.08 -0.92 0.00 0.00 175.35 173.43 3ka0 s VAL 65 N 5.07 -0.01 0.37 3.17 1.01 -1.26 -3.31 120.40 125.43 3ka0 s VAL 65 Ca 0.71 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.80 3ka0 s VAL 65 Cb -0.25 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3ka0 s VAL 65 CO 0.29 0.01 0.23 0.42 0.00 0.00 0.00 175.10 176.05 3ka0 s THR 66 N 0.30 2.91 0.31 3.92 -4.23 -1.26 -4.99 115.64 112.60 3ka0 s THR 66 Ca -0.02 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 3ka0 s THR 66 Cb -0.03 -3.02 0.20 0.00 1.34 0.00 0.00 72.50 70.98 3ka0 s THR 66 CO -0.01 -0.11 1.90 0.77 -0.54 0.00 0.00 174.62 176.63 3ka0 h SER 67 N 1.36 0.74 -0.30 3.99 4.64 -2.02 0.10 113.55 122.06 3ka0 h SER 67 Ca -0.43 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 60.78 3ka0 h SER 67 Cb 1.26 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 3ka0 h SER 67 CO 0.62 0.66 0.10 0.06 -0.87 0.00 0.00 176.83 177.41 3ka0 h GLN 68 N 0.81 0.46 0.00 4.77 -0.00 -1.99 0.20 115.11 119.36 3ka0 h GLN 68 Ca 0.19 -0.09 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 3ka0 h GLN 68 Cb 0.15 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.56 3ka0 h GLN 68 CO -0.02 0.50 0.00 1.33 -0.00 0.00 0.00 178.83 180.64 3ka0 n VAL 69 N -4.71 0.18 -0.03 1.86 0.24 -0.93 -2.74 118.33 112.21 3ka0 n VAL 69 Ca -0.02 0.04 -0.21 0.00 -2.04 0.00 0.00 64.34 62.11 3ka0 n VAL 69 Cb 0.16 -0.62 -0.13 0.00 -1.47 0.00 0.00 33.84 31.78 3ka0 n VAL 69 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3ka0 n LEU 70 N -1.31 2.56 -0.03 1.34 7.99 0.31 -4.14 117.00 123.72 3ka0 n LEU 70 Ca 0.12 0.21 -0.00 0.00 -0.01 0.00 0.00 56.01 56.32 3ka0 n LEU 70 Cb 0.21 -1.08 0.29 0.00 -0.11 0.00 0.00 43.42 42.74 3ka0 n LEU 70 CO 0.20 0.78 0.97 1.23 -1.51 0.00 0.00 177.39 179.06 3ka0 h GLY 71 N 0.86 0.63 2.00 -0.72 0.00 -0.49 -1.49 103.07 103.86 3ka0 h GLY 71 Ca -0.44 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.54 3ka0 h GLY 71 CO 0.02 0.33 0.00 1.41 0.00 0.00 0.00 176.54 178.30 3ka0 h LEU 72 N 0.57 0.00 0.03 3.11 3.38 -1.72 -3.34 115.31 117.33 3ka0 h LEU 72 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ka0 h LEU 72 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3ka0 h LEU 72 CO 0.00 0.00 -0.01 1.23 0.09 0.00 0.00 178.44 179.75 3ka0 h GLY 73 N 2.62 -0.04 0.72 0.83 0.00 -1.42 -3.21 103.07 102.57 3ka0 h GLY 73 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.38 3ka0 h GLY 73 CO 0.00 -0.01 0.60 0.16 0.00 0.00 0.00 176.54 177.29 3ka0 h ILE 74 N -0.69 0.05 -2.14 2.60 3.07 -1.66 0.36 117.51 119.09 3ka0 h ILE 74 Ca -0.00 0.00 -0.78 0.00 1.55 0.00 0.00 64.86 65.63 3ka0 h ILE 74 Cb 0.64 0.42 -0.28 0.00 -0.27 0.00 0.00 36.82 37.33 3ka0 h ILE 74 CO 0.01 0.00 0.91 0.59 -1.05 0.00 0.00 178.15 178.60 3ka0 n ASN 75 N -2.90 7.20 0.00 2.16 4.13 -1.21 -4.95 115.26 119.69 3ka0 n ASN 75 Ca 0.02 -3.75 0.00 0.00 1.68 0.00 0.00 54.58 52.53 3ka0 n ASN 75 Cb 0.67 -1.08 0.00 0.00 -1.54 0.00 0.00 39.78 37.83 3ka0 n ASN 75 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ka0 n GLY 76 N -0.26 0.68 3.71 7.41 0.00 0.12 -4.94 105.19 111.91 3ka0 n GLY 76 Ca 0.48 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 3ka0 n GLY 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ka0 n LYS 77 N 0.00 2.08 -3.79 1.61 0.00 -1.25 -4.78 118.16 112.03 3ka0 n LYS 77 Ca 0.00 0.73 -0.32 0.00 0.00 0.00 0.00 58.31 58.73 3ka0 n LYS 77 Cb 0.00 -2.41 -0.05 0.00 0.00 0.00 0.00 35.03 32.57 3ka0 n LYS 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3ka0 s VAL 78 N -1.16 5.29 0.11 3.15 -7.23 -1.26 -4.56 120.40 114.73 3ka0 s VAL 78 Ca 0.59 -0.12 0.03 0.00 -1.81 0.00 0.00 61.98 60.67 3ka0 s VAL 78 Cb -0.52 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 32.77 3ka0 s VAL 78 CO 0.60 0.14 -0.09 -0.76 -0.31 0.00 0.00 175.10 174.69 3ka0 s LEU 79 N -2.42 2.49 -0.34 1.32 1.43 -0.01 -4.91 118.68 116.25 3ka0 s LEU 79 Ca 0.36 -0.97 -0.29 0.00 -1.03 0.00 0.00 54.13 52.20 3ka0 s LEU 79 Cb -0.13 -0.22 0.01 0.00 0.03 0.00 0.00 46.19 45.89 3ka0 s LEU 79 CO 0.24 -0.37 1.24 -1.58 0.23 0.00 0.00 176.35 176.10 3ka0 s GLN 80 N -3.57 3.89 0.30 1.70 2.00 -1.26 -0.38 119.66 122.34 3ka0 s GLN 80 Ca 0.12 1.08 0.06 0.00 -2.00 0.00 0.00 55.36 54.62 3ka0 s GLN 80 Cb 0.03 -3.86 -0.06 0.00 0.80 0.00 0.00 33.01 29.91 3ka0 s GLN 80 CO -0.02 -1.15 -0.03 0.96 -0.50 0.00 0.00 175.29 174.55 3ka0 s ILE 81 N 4.32 1.59 -0.08 -2.34 -4.36 -0.34 -4.94 121.20 115.05 3ka0 s ILE 81 Ca 0.53 -2.09 0.03 0.00 -0.26 0.00 0.00 60.65 58.86 3ka0 s ILE 81 Cb -0.14 -2.55 0.01 0.00 1.25 0.00 0.00 42.46 41.03 3ka0 s ILE 81 CO 0.23 -0.22 -0.18 -0.36 0.24 0.00 0.00 174.94 174.65 3ka0 s PHE 82 N -3.04 2.00 -0.22 1.37 0.08 -1.21 -1.08 117.98 115.88 3ka0 s PHE 82 Ca 0.31 -0.80 -0.29 0.00 0.12 0.00 0.00 56.93 56.27 3ka0 s PHE 82 Cb 0.05 -1.39 -0.02 0.00 -0.57 0.00 0.00 43.02 41.09 3ka0 s PHE 82 CO 0.13 -0.36 1.50 1.21 -0.10 0.00 0.00 175.22 177.60 3ka0 s ASN 83 N 0.54 6.54 0.16 1.36 2.47 -0.66 -0.68 114.94 124.67 3ka0 s ASN 83 Ca -0.16 1.56 -0.16 0.00 0.42 0.00 0.00 52.86 54.53 3ka0 s ASN 83 Cb -0.17 -2.53 0.09 0.00 -1.45 0.00 0.00 41.25 37.19 3ka0 s ASN 83 CO 0.06 -1.13 1.73 0.11 -3.72 0.00 0.00 177.10 174.14 3ka0 h LYS 84 N 9.98 0.20 -0.29 0.43 1.57 -1.44 0.62 116.57 127.63 3ka0 h LYS 84 Ca -0.31 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3ka0 h LYS 84 Cb 1.13 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3ka0 h LYS 84 CO 1.00 0.13 0.19 -0.09 -0.57 0.00 0.00 179.45 180.11 3ka0 h ARG 85 N 0.20 0.39 0.00 3.15 2.43 -1.93 -3.36 114.38 115.26 3ka0 h ARG 85 Ca 0.18 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3ka0 h ARG 85 Cb 0.21 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3ka0 h ARG 85 CO -0.24 0.26 -1.91 0.25 -1.51 0.00 0.00 179.97 176.83 3ka0 n THR 86 N -4.88 0.20 -0.36 0.20 -2.24 -1.12 -5.00 114.28 101.08 3ka0 n THR 86 Ca -0.02 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3ka0 n THR 86 Cb 0.03 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3ka0 n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ka0 n GLN 87 N -2.23 0.00 -1.15 -0.78 1.13 0.21 -5.03 117.38 109.54 3ka0 n GLN 87 Ca -0.08 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.65 3ka0 n GLN 87 Cb 0.58 -2.31 0.12 0.00 0.11 0.00 0.00 30.24 28.75 3ka0 n GLN 87 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3ka0 s GLU 88 N -0.07 1.72 -0.04 -1.09 2.02 -1.26 -4.57 118.70 115.42 3ka0 s GLU 88 Ca 0.00 1.67 -0.19 0.00 0.02 0.00 0.00 54.97 56.47 3ka0 s GLU 88 Cb 0.00 -1.79 -0.05 0.00 0.10 0.00 0.00 34.13 32.39 3ka0 s GLU 88 CO 0.00 -2.13 0.53 0.21 0.02 0.00 0.00 175.26 173.89 3ka0 s LYS 89 N -4.22 4.27 0.24 1.61 2.20 -1.26 -1.66 119.74 120.92 3ka0 s LYS 89 Ca 0.71 0.60 0.02 0.00 -0.36 0.00 0.00 55.97 56.93 3ka0 s LYS 89 Cb -0.27 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.64 3ka0 s LYS 89 CO 0.51 0.33 0.07 -0.06 -0.36 0.00 0.00 175.35 175.84 3ka0 s PHE 90 N -0.00 1.49 -0.12 4.03 0.40 -0.24 -4.14 117.98 119.39 3ka0 s PHE 90 Ca 0.28 -1.12 -0.02 0.00 -0.60 0.00 0.00 56.93 55.47 3ka0 s PHE 90 Cb -0.17 -0.87 -0.03 0.00 0.51 0.00 0.00 43.02 42.46 3ka0 s PHE 90 CO 0.14 -0.28 -0.05 0.00 0.70 0.00 0.00 175.22 175.74 3ka0 s ALA 91 N -3.70 3.01 -0.13 5.36 0.00 0.18 -1.19 121.76 125.28 3ka0 s ALA 91 Ca 0.34 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.43 3ka0 s ALA 91 Cb 0.07 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 3ka0 s ALA 91 CO 0.11 0.35 0.01 -1.17 0.00 0.00 0.00 175.76 175.06 3ka0 s LEU 92 N -0.07 3.56 -0.07 0.00 2.96 0.49 0.45 118.68 126.01 3ka0 s LEU 92 Ca 0.01 0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 3ka0 s LEU 92 Cb -0.13 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.72 3ka0 s LEU 92 CO 0.03 0.26 -0.13 -0.75 -1.32 0.00 0.00 176.35 174.44 3ka0 s LYS 93 N -0.16 1.77 -0.16 1.98 2.20 -0.60 -0.83 119.74 123.94 3ka0 s LYS 93 Ca 0.05 -0.44 -0.05 0.00 -0.36 0.00 0.00 55.97 55.17 3ka0 s LYS 93 Cb -0.12 -1.45 -0.03 0.00 -1.51 0.00 0.00 37.83 34.71 3ka0 s LYS 93 CO 0.02 0.04 0.00 -1.64 -0.36 0.00 0.00 175.35 173.41 3ka0 s MET 94 N 0.63 3.71 0.14 4.03 -1.94 -1.26 -0.64 119.30 123.98 3ka0 s MET 94 Ca -0.15 -0.45 0.07 0.00 -1.71 0.00 0.00 55.69 53.46 3ka0 s MET 94 Cb -0.16 -3.01 -0.04 0.00 2.01 0.00 0.00 34.83 33.64 3ka0 s MET 94 CO 0.04 0.30 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.67 3ka0 s LEU 95 N 0.24 2.42 0.06 -0.03 1.43 0.12 -4.60 118.68 118.31 3ka0 s LEU 95 Ca -0.00 -0.83 -0.27 0.00 -1.03 0.00 0.00 54.13 52.00 3ka0 s LEU 95 Cb -0.13 -0.71 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 3ka0 s LEU 95 CO 0.02 -0.08 0.85 -1.10 0.23 0.00 0.00 176.35 176.27 3ka0 s GLN 96 N -2.69 4.57 0.23 1.70 -0.21 -1.26 -0.75 119.66 121.24 3ka0 s GLN 96 Ca 0.12 1.22 -0.31 0.00 0.02 0.00 0.00 55.36 56.42 3ka0 s GLN 96 Cb -0.06 -3.38 -0.11 0.00 1.00 0.00 0.00 33.01 30.46 3ka0 s GLN 96 CO 0.05 0.22 1.60 0.34 -2.12 0.00 0.00 175.29 175.37 3ka0 s ASP 97 N 0.11 6.47 -0.30 5.90 -1.08 -0.37 -4.64 116.67 122.77 3ka0 s ASP 97 Ca 0.43 2.80 -0.38 0.00 -0.52 0.00 0.00 52.55 54.89 3ka0 s ASP 97 Cb -0.21 -2.61 0.17 0.00 -1.46 0.00 0.00 42.92 38.80 3ka0 s ASP 97 CO 0.26 -0.88 1.40 0.00 0.52 0.00 0.00 175.17 176.47 3ka0 h PRO 99 N 2.00 0.18 -0.04 0.00 0.11 -1.99 -0.35 132.00 131.92 3ka0 h PRO 99 Ca -0.02 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.10 3ka0 h PRO 99 Cb 1.13 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3ka0 h PRO 99 CO 0.19 0.12 -0.06 0.87 -0.21 0.00 0.00 178.00 178.91 3ka0 h LYS 100 N 0.18 -0.08 -0.83 1.05 1.57 -1.96 -0.75 116.57 115.75 3ka0 h LYS 100 Ca 0.58 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.38 3ka0 h LYS 100 Cb 1.21 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 3ka0 h LYS 100 CO -0.69 -0.05 0.55 0.00 -0.57 0.00 0.00 179.45 178.69 3ka0 h ALA 101 N 0.94 1.05 -0.45 3.86 0.00 -1.37 -1.06 119.26 122.24 3ka0 h ALA 101 Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ka0 h ALA 101 Cb 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3ka0 h ALA 101 CO -0.09 0.46 0.14 0.00 0.00 0.00 0.00 179.25 179.76 3ka0 h ARG 102 N 1.12 0.65 -0.13 0.00 2.47 -1.01 -2.13 114.38 115.36 3ka0 h ARG 102 Ca 0.31 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.91 3ka0 h ARG 102 Cb -0.13 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.07 3ka0 h ARG 102 CO -0.07 0.57 0.04 -0.09 0.56 0.00 0.00 179.97 180.98 3ka0 h ARG 103 N 0.65 0.20 0.94 0.04 2.43 -0.02 -1.93 114.38 116.68 3ka0 h ARG 103 Ca 0.15 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3ka0 h ARG 103 Cb 0.19 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3ka0 h ARG 103 CO -0.01 0.34 -0.47 1.49 -1.51 0.00 0.00 179.97 179.81 3ka0 h GLU 104 N 0.02 -1.23 -0.82 0.20 4.81 -0.79 -0.62 114.58 116.14 3ka0 h GLU 104 Ca 0.04 0.08 0.18 0.00 -0.13 0.00 0.00 59.36 59.53 3ka0 h GLU 104 Cb 0.22 0.28 -0.15 0.00 0.63 0.00 0.00 28.75 29.73 3ka0 h GLU 104 CO -0.00 -0.82 -0.13 0.28 -0.73 0.00 0.00 179.01 177.60 3ka0 h VAL 105 N -1.28 0.20 0.20 0.32 2.07 -1.47 0.18 116.25 116.47 3ka0 h VAL 105 Ca -0.13 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3ka0 h VAL 105 Cb 0.99 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3ka0 h VAL 105 CO 0.20 0.00 -0.10 -0.08 0.02 0.00 0.00 177.57 177.62 3ka0 h GLU 106 N 0.02 -0.26 -0.61 1.57 4.57 -0.86 -0.71 114.58 118.31 3ka0 h GLU 106 Ca 0.42 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.56 3ka0 h GLU 106 Cb 0.70 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 3ka0 h GLU 106 CO -0.81 -0.15 0.17 -0.07 -1.18 0.00 0.00 179.01 176.97 3ka0 h LEU 107 N -0.29 0.90 -0.85 1.64 3.38 -0.02 -2.04 115.31 118.04 3ka0 h LEU 107 Ca -0.03 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 3ka0 h LEU 107 Cb 0.22 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3ka0 h LEU 107 CO 0.04 0.88 0.10 -0.74 0.09 0.00 0.00 178.44 178.81 3ka0 h HIS 108 N 0.88 1.01 -0.10 1.13 2.76 -0.55 -1.50 115.15 118.77 3ka0 h HIS 108 Ca 0.19 -0.12 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3ka0 h HIS 108 Cb 0.32 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 3ka0 h HIS 108 CO 0.02 0.86 0.05 2.35 -1.30 0.00 0.00 177.93 179.91 3ka0 h TRP 109 N 0.90 0.14 -0.58 5.26 2.91 -0.76 -0.49 115.95 123.32 3ka0 h TRP 109 Ca 0.18 -0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.33 3ka0 h TRP 109 Cb 0.39 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.97 3ka0 h TRP 109 CO 0.03 0.18 0.40 0.00 -1.03 0.00 0.00 178.44 178.01 3ka0 h ARG 110 N 0.05 0.23 0.00 2.65 3.08 -0.75 -2.08 114.38 117.55 3ka0 h ARG 110 Ca 0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3ka0 h ARG 110 Cb 0.09 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3ka0 h ARG 110 CO -0.01 0.15 -0.81 0.00 -1.07 0.00 0.00 179.97 178.24 3ka0 n ALA 111 N -2.57 3.43 0.16 0.04 0.00 -0.62 -4.33 120.51 116.62 3ka0 n ALA 111 Ca 0.10 -0.37 0.14 0.00 0.00 0.00 0.00 53.44 53.31 3ka0 n ALA 111 Cb 0.49 -1.04 0.70 0.00 0.00 0.00 0.00 19.45 19.60 3ka0 n ALA 111 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3ka0 h SER 112 N 0.00 0.00 -0.81 0.00 0.02 -0.37 -2.03 113.55 110.36 3ka0 h SER 112 Ca 0.00 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.08 3ka0 h SER 112 Cb 0.66 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.11 3ka0 h SER 112 CO 0.00 0.00 0.41 -0.61 -1.14 0.00 0.00 176.83 175.49 3ka0 h GLN 113 N 0.00 0.60 -6.46 3.45 4.15 -1.76 -3.41 115.11 111.69 3ka0 h GLN 113 Ca 0.10 -0.04 -0.61 0.00 0.77 0.00 0.00 58.65 58.87 3ka0 h GLN 113 Cb 0.43 -0.14 0.07 0.00 0.21 0.00 0.00 27.48 28.05 3ka0 h GLN 113 CO -0.00 0.40 0.54 0.00 -1.93 0.00 0.00 178.83 177.84 3ka0 h PRO 115 N 4.42 0.00 -0.17 0.00 0.11 -1.90 -3.02 132.00 131.43 3ka0 h PRO 115 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3ka0 h PRO 115 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3ka0 h PRO 115 CO 0.77 0.00 -0.04 0.72 -0.21 0.00 0.00 178.00 179.25 3ka0 n HIS 116 N -2.29 0.59 -4.20 0.65 8.25 -1.26 -4.94 115.22 112.02 3ka0 n HIS 116 Ca -0.01 -1.05 -0.18 0.00 -0.26 0.00 0.00 57.72 56.21 3ka0 n HIS 116 Cb 0.08 -0.28 -0.16 0.00 1.12 0.00 0.00 29.99 30.75 3ka0 n HIS 116 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3ka0 s ILE 117 N -2.93 0.52 0.10 1.59 1.01 -1.14 -0.11 121.20 120.24 3ka0 s ILE 117 Ca 0.39 -0.19 -0.35 0.00 0.00 0.00 0.00 60.65 60.50 3ka0 s ILE 117 Cb 0.33 -0.50 -0.15 0.00 0.01 0.00 0.00 42.46 42.16 3ka0 s ILE 117 CO 0.05 0.19 1.54 0.52 0.00 0.00 0.00 174.94 177.24 3ka0 n VAL 118 N 3.54 0.07 -2.57 2.92 0.31 -0.52 -4.77 118.33 117.30 3ka0 n VAL 118 Ca -0.20 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 63.69 3ka0 n VAL 118 Cb 0.54 -1.33 -0.03 0.00 -0.91 0.00 0.00 33.84 32.11 3ka0 n VAL 118 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3ka0 s ARG 119 N 1.18 4.41 0.12 5.55 3.52 -1.26 -4.66 118.95 127.81 3ka0 s ARG 119 Ca 0.83 1.54 -0.30 0.00 -0.13 0.00 0.00 55.73 57.67 3ka0 s ARG 119 Cb -0.78 -3.52 -0.06 0.00 -1.56 0.00 0.00 34.95 29.03 3ka0 s ARG 119 CO 0.43 -0.33 1.11 0.42 -0.81 0.00 0.00 175.30 176.12 3ka0 s ILE 120 N 1.88 4.07 -0.16 4.11 -1.09 -1.26 -1.85 121.20 126.89 3ka0 s ILE 120 Ca 0.53 1.64 0.05 0.00 -2.23 0.00 0.00 60.65 60.64 3ka0 s ILE 120 Cb -0.22 -4.05 -0.13 0.00 -1.58 0.00 0.00 42.46 36.47 3ka0 s ILE 120 CO 0.22 0.22 -0.09 0.52 -1.23 0.00 0.00 174.94 174.58 3ka0 n VAL 121 N 3.04 1.00 -3.57 2.92 0.31 0.16 -4.95 118.33 117.24 3ka0 n VAL 121 Ca 0.05 -0.46 -0.14 0.00 -0.01 0.00 0.00 64.34 63.78 3ka0 n VAL 121 Cb 0.47 -0.96 -0.05 0.00 -0.91 0.00 0.00 33.84 32.39 3ka0 n VAL 121 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3ka0 s ASP 122 N -5.38 -0.46 -0.06 4.52 -0.00 -1.08 -5.01 116.67 109.20 3ka0 s ASP 122 Ca -0.18 0.21 0.01 0.00 -0.00 0.00 0.00 52.55 52.59 3ka0 s ASP 122 Cb 0.05 0.50 0.02 0.00 -0.00 0.00 0.00 42.92 43.49 3ka0 s ASP 122 CO 0.46 -0.72 -0.07 -0.69 -0.00 0.00 0.00 175.17 174.15 3ka0 s VAL 123 N -2.38 0.81 -0.02 -1.27 1.01 -1.26 0.20 120.40 117.49 3ka0 s VAL 123 Ca -0.06 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3ka0 s VAL 123 Cb -0.01 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 3ka0 s VAL 123 CO -0.01 0.29 -0.07 -0.31 0.00 0.00 0.00 175.10 175.01 3ka0 s TYR 124 N 0.98 2.91 -0.41 5.22 1.51 0.63 -1.70 117.35 126.48 3ka0 s TYR 124 Ca -0.10 -0.02 -0.06 0.00 -1.01 0.00 0.00 57.07 55.89 3ka0 s TYR 124 Cb -0.15 -1.64 0.09 0.00 -0.11 0.00 0.00 41.96 40.15 3ka0 s TYR 124 CO 0.00 0.36 0.23 -2.00 -1.11 0.00 0.00 175.55 173.03 3ka0 s GLU 125 N -1.23 2.37 0.41 -0.62 2.12 -0.11 -0.23 118.70 121.40 3ka0 s GLU 125 Ca 0.16 -1.60 0.04 0.00 0.36 0.00 0.00 54.97 53.93 3ka0 s GLU 125 Cb -0.11 -3.67 -0.05 0.00 0.26 0.00 0.00 34.13 30.55 3ka0 s GLU 125 CO 0.06 -0.99 0.04 -0.80 -0.54 0.00 0.00 175.26 173.02 3ka0 s ASN 126 N 2.01 3.38 -0.33 -1.70 0.02 -0.63 -4.56 114.94 113.14 3ka0 s ASN 126 Ca 0.04 -1.47 -0.07 0.00 -1.02 0.00 0.00 52.86 50.35 3ka0 s ASN 126 Cb -0.23 -0.01 0.03 0.00 0.02 0.00 0.00 41.25 41.06 3ka0 s ASN 126 CO -0.01 -0.64 0.10 -0.22 0.02 0.00 0.00 177.10 176.36 3ka0 s LEU 127 N -3.67 4.19 -0.25 0.60 2.96 -1.26 -0.78 118.68 120.47 3ka0 s LEU 127 Ca 0.28 -1.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.13 3ka0 s LEU 127 Cb 0.07 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.90 3ka0 s LEU 127 CO 0.14 -0.29 -0.03 -0.47 -1.32 0.00 0.00 176.35 174.37 3ka0 s TYR 128 N 1.43 3.04 -1.21 5.38 5.04 0.08 -4.65 117.35 126.46 3ka0 s TYR 128 Ca -0.01 -1.28 -0.21 0.00 -2.44 0.00 0.00 57.07 53.13 3ka0 s TYR 128 Cb -0.19 -2.10 0.01 0.00 0.35 0.00 0.00 41.96 40.03 3ka0 s TYR 128 CO 0.03 -0.65 0.68 0.00 -1.34 0.00 0.00 175.55 174.26 3ka0 n ALA 129 N 4.74 -2.46 -3.17 3.97 0.00 -1.26 -1.35 120.51 120.97 3ka0 n ALA 129 Ca -0.17 -0.34 -0.21 0.00 0.00 0.00 0.00 53.44 52.72 3ka0 n ALA 129 Cb 0.48 -3.22 -0.00 0.00 0.00 0.00 0.00 19.45 16.71 3ka0 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ka0 n GLY 130 N -1.87 -0.49 2.77 0.00 0.00 -1.26 -4.97 105.19 99.38 3ka0 n GLY 130 Ca -0.14 0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 3ka0 n GLY 130 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ka0 s ARG 131 N -5.81 -0.02 0.21 1.61 3.52 -0.46 -5.13 118.95 112.87 3ka0 s ARG 131 Ca 0.32 0.34 -0.31 0.00 -0.13 0.00 0.00 55.73 55.95 3ka0 s ARG 131 Cb -0.17 -0.33 -0.11 0.00 -1.56 0.00 0.00 34.95 32.79 3ka0 s ARG 131 CO 0.39 -0.24 1.60 0.15 -0.81 0.00 0.00 175.30 176.39 3ka0 s LYS 132 N 1.64 4.18 0.06 5.12 1.02 -1.26 -0.74 119.74 129.76 3ka0 s LYS 132 Ca -0.03 2.46 0.03 0.00 0.02 0.00 0.00 55.97 58.45 3ka0 s LYS 132 Cb -0.12 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.05 3ka0 s LYS 132 CO -0.04 -0.63 -0.09 0.00 -0.92 0.00 0.00 175.35 173.68 3ka0 s LEU 134 N -1.97 3.75 -0.36 0.00 1.02 0.07 -1.60 118.68 119.58 3ka0 s LEU 134 Ca -0.03 -0.72 -0.13 0.00 0.02 0.00 0.00 54.13 53.27 3ka0 s LEU 134 Cb -0.06 -1.85 0.01 0.00 0.02 0.00 0.00 46.19 44.30 3ka0 s LEU 134 CO -0.00 -0.18 0.24 -0.76 0.02 0.00 0.00 176.35 175.67 3ka0 s LEU 135 N 1.48 4.68 -0.24 1.79 2.01 0.67 -0.70 118.68 128.37 3ka0 s LEU 135 Ca 0.02 -0.70 -0.11 0.00 0.01 0.00 0.00 54.13 53.34 3ka0 s LEU 135 Cb -0.17 -2.10 -0.05 0.00 0.01 0.00 0.00 46.19 43.88 3ka0 s LEU 135 CO 0.02 -0.33 0.21 -0.63 1.01 0.00 0.00 176.35 176.63 3ka0 s ILE 136 N 1.66 5.32 -0.22 -0.59 1.01 0.19 -0.27 121.20 128.30 3ka0 s ILE 136 Ca 0.05 0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.88 3ka0 s ILE 136 Cb -0.18 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 3ka0 s ILE 136 CO 0.09 0.31 0.10 -0.69 0.00 0.00 0.00 174.94 174.75 3ka0 s VAL 137 N 1.24 4.89 0.18 2.92 1.01 0.13 -1.56 120.40 129.21 3ka0 s VAL 137 Ca 0.09 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.16 3ka0 s VAL 137 Cb -0.14 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3ka0 s VAL 137 CO 0.06 0.38 -0.15 -0.04 0.00 0.00 0.00 175.10 175.35 3ka0 s MET 138 N 0.95 1.26 0.56 2.72 -1.94 0.17 0.36 119.30 123.38 3ka0 s MET 138 Ca 0.05 -1.48 -0.21 0.00 -1.71 0.00 0.00 55.69 52.35 3ka0 s MET 138 Cb -0.14 -1.14 -0.05 0.00 2.01 0.00 0.00 34.83 35.51 3ka0 s MET 138 CO 0.03 0.21 1.19 -0.85 -0.01 0.00 0.00 175.02 175.58 3ka0 n GLU 139 N -0.04 1.34 -3.15 2.03 0.28 -0.77 0.48 120.64 120.80 3ka0 n GLU 139 Ca -0.11 0.50 -0.39 0.00 -0.16 0.00 0.00 57.16 57.00 3ka0 n GLU 139 Cb 0.59 -2.38 -0.05 0.00 1.43 0.00 0.00 31.44 31.03 3ka0 n GLU 139 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ka0 s LEU 141 N -0.22 5.13 0.63 0.00 1.43 -1.26 -4.87 118.68 119.52 3ka0 s LEU 141 Ca 0.33 -3.82 0.37 0.00 -1.03 0.00 0.00 54.13 49.98 3ka0 s LEU 141 Cb -0.19 -1.75 2.12 0.00 0.03 0.00 0.00 46.19 46.40 3ka0 s LEU 141 CO 0.19 -0.12 2.29 0.44 0.23 0.00 0.00 176.35 179.38 3ka0 h ASP 142 N 5.63 0.00 0.72 2.29 5.19 -1.11 -3.27 116.42 125.87 3ka0 h ASP 142 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3ka0 h ASP 142 Cb 0.77 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.28 3ka0 h ASP 142 CO 0.78 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 177.51 3ka0 n GLY 143 N -1.20 -1.21 1.93 2.75 0.00 0.41 -4.61 105.19 103.25 3ka0 n GLY 143 Ca -0.03 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 45.98 3ka0 n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ka0 n GLY 144 N 0.49 -2.10 3.78 -0.02 0.00 -1.23 -4.61 105.19 101.49 3ka0 n GLY 144 Ca 0.04 -1.42 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 3ka0 n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ka0 s GLU 145 N -0.98 4.53 0.13 1.61 2.02 -1.26 -1.42 118.70 123.34 3ka0 s GLU 145 Ca 0.00 1.35 -0.23 0.00 0.02 0.00 0.00 54.97 56.10 3ka0 s GLU 145 Cb 0.00 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.45 3ka0 s GLU 145 CO 0.00 0.22 1.21 -0.11 0.02 0.00 0.00 175.26 176.60 3ka0 n LEU 146 N 0.46 -0.80 0.23 1.80 7.94 0.26 -1.02 117.00 125.87 3ka0 n LEU 146 Ca 0.02 1.39 0.12 0.00 -1.11 0.00 0.00 56.01 56.43 3ka0 n LEU 146 Cb 0.50 -0.19 0.42 0.00 0.53 0.00 0.00 43.42 44.68 3ka0 n LEU 146 CO 0.44 -1.14 0.82 -0.26 -1.11 0.00 0.00 177.39 176.14 3ka0 h PHE 147 N 0.00 0.00 -0.62 1.96 -1.00 -1.87 -2.63 116.94 112.78 3ka0 h PHE 147 Ca 0.14 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.86 3ka0 h PHE 147 Cb 0.34 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 3ka0 h PHE 147 CO -0.79 0.15 0.15 0.77 -1.61 0.00 0.00 178.31 176.97 3ka0 h SER 148 N 0.00 0.91 0.35 2.17 0.02 -1.46 -2.54 113.55 113.00 3ka0 h SER 148 Ca -0.00 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 3ka0 h SER 148 Cb 0.80 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3ka0 h SER 148 CO 0.02 0.88 -0.18 0.03 -1.14 0.00 0.00 176.83 176.44 3ka0 h ARG 149 N 0.93 -0.46 -1.67 3.45 2.47 -1.29 -2.92 114.38 114.88 3ka0 h ARG 149 Ca 0.20 0.03 0.51 0.00 -1.26 0.00 0.00 59.98 59.46 3ka0 h ARG 149 Cb 0.33 0.11 -0.09 0.00 -1.65 0.00 0.00 29.97 28.66 3ka0 h ARG 149 CO -0.00 -0.31 1.17 0.82 0.56 0.00 0.00 179.97 182.21 3ka0 h ILE 150 N -0.48 0.08 0.00 2.04 1.08 -1.54 -1.84 117.51 116.86 3ka0 h ILE 150 Ca -0.05 -0.01 -0.28 0.00 -0.39 0.00 0.00 64.86 64.13 3ka0 h ILE 150 Cb 0.37 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 3ka0 h ILE 150 CO 0.07 0.00 1.18 1.67 -0.69 0.00 0.00 178.15 180.38 3ka0 n GLN 151 N -4.23 1.99 0.00 2.37 7.27 -0.96 -4.56 117.38 119.26 3ka0 n GLN 151 Ca 0.40 -1.15 0.00 0.00 0.07 0.00 0.00 57.00 56.32 3ka0 n GLN 151 Cb 1.75 -2.16 0.00 0.00 2.41 0.00 0.00 30.24 32.23 3ka0 n GLN 151 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3ka0 n ASP 152 N 3.17 0.00 0.00 1.69 9.92 -0.70 -5.00 116.55 125.63 3ka0 n ASP 152 Ca 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 3ka0 n ASP 152 Cb 0.47 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 3ka0 n ASP 152 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3ka0 n THR 159 N -0.23 0.00 -0.35 -3.53 -2.24 -1.24 -5.15 114.28 101.55 3ka0 n THR 159 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 3ka0 n THR 159 Cb 0.00 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.34 3ka0 n THR 159 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3ka0 h GLU 160 N 0.00 1.20 -0.57 -0.78 4.81 -0.81 -1.84 114.58 116.59 3ka0 h GLU 160 Ca 0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3ka0 h GLU 160 Cb 0.00 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.08 3ka0 h GLU 160 CO 0.00 0.79 0.29 -0.09 -0.73 0.00 0.00 179.01 179.27 3ka0 h ARG 161 N 1.23 0.81 -0.46 1.92 2.43 -1.79 0.01 114.38 118.54 3ka0 h ARG 161 Ca 0.35 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.42 3ka0 h ARG 161 Cb -0.09 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.28 3ka0 h ARG 161 CO -0.09 0.65 0.29 0.93 -1.51 0.00 0.00 179.97 180.24 3ka0 h GLU 162 N 0.77 0.57 -0.92 0.20 5.08 -1.82 0.08 114.58 118.54 3ka0 h GLU 162 Ca 0.20 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.60 3ka0 h GLU 162 Cb 0.10 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 3ka0 h GLU 162 CO -0.03 0.38 0.57 0.00 -1.00 0.00 0.00 179.01 178.93 3ka0 h ALA 163 N 1.19 1.31 -0.25 3.43 0.00 -0.94 -1.97 119.26 122.03 3ka0 h ALA 163 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 3ka0 h ALA 163 Cb -0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3ka0 h ALA 163 CO -0.06 0.28 -0.54 1.03 0.00 0.00 0.00 179.25 179.96 3ka0 h SER 164 N 1.00 0.84 0.08 0.00 0.87 -0.34 -2.46 113.55 113.55 3ka0 h SER 164 Ca 0.42 -0.45 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 3ka0 h SER 164 Cb 0.27 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3ka0 h SER 164 CO -0.21 1.22 -0.23 -0.33 -0.53 0.00 0.00 176.83 176.75 3ka0 h GLU 165 N 0.58 0.26 0.02 2.24 5.08 -0.60 -1.23 114.58 120.93 3ka0 h GLU 165 Ca 0.01 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ka0 h GLU 165 Cb 1.13 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3ka0 h GLU 165 CO 0.11 0.49 -0.01 0.82 -1.00 0.00 0.00 179.01 179.42 3ka0 h ILE 166 N 0.24 1.21 -0.21 3.13 2.04 -1.27 -2.99 117.51 119.66 3ka0 h ILE 166 Ca 0.04 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.12 3ka0 h ILE 166 Cb 0.55 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 3ka0 h ILE 166 CO 0.04 0.18 -0.13 0.24 0.00 0.00 0.00 178.15 178.48 3ka0 h MET 167 N -0.34 0.34 -0.47 2.37 2.86 -0.92 -0.04 114.93 118.74 3ka0 h MET 167 Ca -0.00 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3ka0 h MET 167 Cb 0.32 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3ka0 h MET 167 CO 0.00 0.48 0.28 -0.22 1.06 0.00 0.00 176.91 178.52 3ka0 h LYS 168 N 0.32 0.63 0.03 1.72 3.64 -1.24 0.31 116.57 121.98 3ka0 h LYS 168 Ca 0.06 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ka0 h LYS 168 Cb 0.43 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3ka0 h LYS 168 CO 0.03 0.45 -0.01 0.77 -2.27 0.00 0.00 179.45 178.41 3ka0 h SER 169 N 0.65 -0.03 -0.48 4.20 0.02 -0.87 -0.84 113.55 116.19 3ka0 h SER 169 Ca 0.17 -0.50 0.01 0.00 -0.84 0.00 0.00 61.79 60.63 3ka0 h SER 169 Cb -0.02 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3ka0 h SER 169 CO -0.03 0.50 0.32 0.40 -1.14 0.00 0.00 176.83 176.88 3ka0 h ILE 170 N -0.57 1.11 -0.82 3.27 2.04 -1.19 -1.24 117.51 120.11 3ka0 h ILE 170 Ca -0.00 -0.22 0.09 0.00 1.00 0.00 0.00 64.86 65.73 3ka0 h ILE 170 Cb 0.53 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 3ka0 h ILE 170 CO 0.01 0.12 0.47 1.23 0.00 0.00 0.00 178.15 179.98 3ka0 h GLY 171 N 0.63 1.27 1.31 5.37 0.00 -0.10 -1.84 103.07 109.71 3ka0 h GLY 171 Ca 0.18 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 3ka0 h GLY 171 CO -0.04 0.15 -0.28 0.83 0.00 0.00 0.00 176.54 177.19 3ka0 h GLU 172 N 0.81 0.78 -0.39 4.80 5.08 0.06 -0.08 114.58 125.64 3ka0 h GLU 172 Ca 0.39 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3ka0 h GLU 172 Cb 0.33 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3ka0 h GLU 172 CO -0.24 0.97 0.24 0.00 -1.00 0.00 0.00 179.01 178.98 3ka0 h ALA 173 N 1.01 0.49 -0.41 3.43 0.00 -1.07 -0.68 119.26 122.03 3ka0 h ALA 173 Ca 0.08 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3ka0 h ALA 173 Cb 0.81 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3ka0 h ALA 173 CO 0.07 -0.09 -0.25 0.82 0.00 0.00 0.00 179.25 179.80 3ka0 h ILE 174 N 0.49 1.28 -0.64 0.00 1.08 -1.11 -2.20 117.51 116.41 3ka0 h ILE 174 Ca 0.15 -1.41 0.02 0.00 -0.39 0.00 0.00 64.86 63.22 3ka0 h ILE 174 Cb -0.02 1.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.97 3ka0 h ILE 174 CO -0.05 0.48 0.41 -0.61 -0.69 0.00 0.00 178.15 177.68 3ka0 h GLN 175 N 0.73 0.79 0.06 2.37 4.15 -0.66 0.15 115.11 122.69 3ka0 h GLN 175 Ca 0.09 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 3ka0 h GLN 175 Cb 0.83 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.34 3ka0 h GLN 175 CO 0.07 0.52 -0.03 -0.92 -1.93 0.00 0.00 178.83 176.55 3ka0 h TYR 176 N 0.81 -0.07 -0.04 3.99 3.20 -0.97 0.14 116.97 124.04 3ka0 h TYR 176 Ca 0.25 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.15 3ka0 h TYR 176 Cb -0.02 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 3ka0 h TYR 176 CO -0.04 0.00 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.18 3ka0 h LEU 177 N -0.12 -0.67 -1.34 2.82 3.38 -1.03 -2.10 115.31 116.25 3ka0 h LEU 177 Ca -0.01 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3ka0 h LEU 177 Cb 0.10 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3ka0 h LEU 177 CO 0.01 -0.29 0.04 0.45 0.09 0.00 0.00 178.44 178.75 3ka0 h HIS 178 N -0.33 0.49 -0.54 1.13 3.86 -0.37 0.12 115.15 119.50 3ka0 h HIS 178 Ca 0.07 -0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.32 3ka0 h HIS 178 Cb 0.43 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 3ka0 h HIS 178 CO -0.28 0.46 0.36 0.77 0.86 0.00 0.00 177.93 180.10 3ka0 h SER 179 N 0.47 0.38 -0.52 2.45 0.02 -0.08 -1.13 113.55 115.15 3ka0 h SER 179 Ca 0.11 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.87 3ka0 h SER 179 Cb 0.24 -0.08 -0.11 0.00 0.14 0.00 0.00 62.40 62.59 3ka0 h SER 179 CO 0.00 0.24 0.13 2.30 -1.14 0.00 0.00 176.83 178.37 3ka0 n ILE 180 N -4.47 2.68 -2.45 3.27 -5.35 -0.11 -4.95 119.36 107.98 3ka0 n ILE 180 Ca 0.08 -2.13 -0.17 0.00 -0.27 0.00 0.00 62.75 60.26 3ka0 n ILE 180 Cb 0.29 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 37.86 3ka0 n ILE 180 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3ka0 n ASN 181 N -0.73 -4.91 -4.50 7.28 5.03 -0.43 -4.90 115.26 112.11 3ka0 n ASN 181 Ca 0.36 -0.07 -0.33 0.00 0.87 0.00 0.00 54.58 55.41 3ka0 n ASN 181 Cb 1.18 -3.96 -0.12 0.00 -1.02 0.00 0.00 39.78 35.86 3ka0 n ASN 181 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3ka0 s ILE 182 N -2.87 3.40 -0.09 2.41 1.01 -0.37 0.63 121.20 125.32 3ka0 s ILE 182 Ca 0.06 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.14 3ka0 s ILE 182 Cb -0.03 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 3ka0 s ILE 182 CO 0.07 0.57 -0.11 0.00 0.00 0.00 0.00 174.94 175.48 3ka0 s ALA 183 N -0.45 2.77 -0.07 9.38 0.00 -0.03 -3.37 121.76 129.99 3ka0 s ALA 183 Ca 0.06 -0.91 -0.23 0.00 0.00 0.00 0.00 51.96 50.88 3ka0 s ALA 183 Cb -0.12 -1.16 -0.30 0.00 0.00 0.00 0.00 23.12 21.54 3ka0 s ALA 183 CO 0.02 0.44 0.84 1.25 0.00 0.00 0.00 175.76 178.31 3ka0 h HIS 184 N 5.84 0.42 0.00 0.00 2.76 -1.88 0.90 115.15 123.19 3ka0 h HIS 184 Ca -0.40 -0.31 0.00 0.00 -2.20 0.00 0.00 60.37 57.46 3ka0 h HIS 184 Cb 1.18 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.12 3ka0 h HIS 184 CO 0.52 1.27 0.00 0.54 -1.30 0.00 0.00 177.93 178.96 3ka0 n ARG 185 N -4.21 -0.72 -2.75 5.26 1.74 -1.26 -3.16 116.66 111.55 3ka0 n ARG 185 Ca -0.14 0.18 -0.04 0.00 -0.77 0.00 0.00 57.85 57.08 3ka0 n ARG 185 Cb 0.76 -4.20 0.06 0.00 -1.02 0.00 0.00 32.46 28.05 3ka0 n ARG 185 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ka0 n ASP 186 N -0.36 1.00 -4.64 0.55 2.03 -1.26 -4.87 116.55 108.99 3ka0 n ASP 186 Ca 0.00 -2.31 -0.43 0.00 0.52 0.00 0.00 54.79 52.57 3ka0 n ASP 186 Cb 0.18 -0.28 -0.02 0.00 -0.72 0.00 0.00 41.12 40.28 3ka0 n ASP 186 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3ka0 s VAL 187 N -2.92 4.51 0.20 5.18 1.01 -1.26 -4.85 120.40 122.27 3ka0 s VAL 187 Ca 0.25 1.75 -0.23 0.00 0.00 0.00 0.00 61.98 63.75 3ka0 s VAL 187 Cb 0.39 -4.38 0.05 0.00 0.00 0.00 0.00 36.38 32.43 3ka0 s VAL 187 CO -0.02 -0.43 0.85 -1.59 0.00 0.00 0.00 175.10 173.91 3ka0 s LYS 188 N 3.61 1.42 0.22 2.72 -2.85 -1.26 -4.76 119.74 118.84 3ka0 s LYS 188 Ca 0.46 -0.77 -0.11 0.00 -1.00 0.00 0.00 55.97 54.55 3ka0 s LYS 188 Cb -0.13 0.49 0.31 0.00 -2.06 0.00 0.00 37.83 36.44 3ka0 s LYS 188 CO 0.14 -0.65 1.63 -1.35 0.10 0.00 0.00 175.35 175.23 3ka0 h PRO 189 N 2.00 0.05 0.00 1.78 0.11 -1.96 0.08 132.00 134.06 3ka0 h PRO 189 Ca -0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3ka0 h PRO 189 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ka0 h PRO 189 CO 0.25 0.03 0.00 -0.85 -0.21 0.00 0.00 178.00 177.22 3ka0 n GLU 190 N -5.39 0.93 -0.23 1.05 0.28 -1.26 -2.46 120.64 113.55 3ka0 n GLU 190 Ca 0.10 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.17 3ka0 n GLU 190 Cb 0.38 -1.08 0.17 0.00 1.43 0.00 0.00 31.44 32.34 3ka0 n GLU 190 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3ka0 n ASN 191 N -0.58 3.05 -4.01 -1.84 5.03 0.01 -4.88 115.26 112.05 3ka0 n ASN 191 Ca 0.03 -2.67 -0.31 0.00 0.87 0.00 0.00 54.58 52.51 3ka0 n ASN 191 Cb 0.02 -0.37 -0.15 0.00 -1.02 0.00 0.00 39.78 38.25 3ka0 n ASN 191 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3ka0 s LEU 192 N -2.18 3.62 0.13 3.41 1.43 -1.03 -1.15 118.68 122.92 3ka0 s LEU 192 Ca 0.30 -1.62 0.10 0.00 -1.03 0.00 0.00 54.13 51.88 3ka0 s LEU 192 Cb 0.23 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 3ka0 s LEU 192 CO 0.08 -0.28 -0.25 -0.76 0.23 0.00 0.00 176.35 175.37 3ka0 s LEU 193 N 1.13 2.32 -0.17 1.79 1.43 -0.48 -0.58 118.68 124.13 3ka0 s LEU 193 Ca -0.01 -0.74 -0.09 0.00 -1.03 0.00 0.00 54.13 52.27 3ka0 s LEU 193 Cb -0.19 -1.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 3ka0 s LEU 193 CO -0.08 0.14 0.13 -0.31 0.23 0.00 0.00 176.35 176.46 3ka0 s TYR 194 N -1.14 3.47 0.22 0.29 2.02 -0.50 0.10 117.35 121.80 3ka0 s TYR 194 Ca 0.13 0.39 -0.08 0.00 -0.37 0.00 0.00 57.07 57.13 3ka0 s TYR 194 Cb -0.10 -2.07 0.33 0.00 -0.40 0.00 0.00 41.96 39.72 3ka0 s TYR 194 CO 0.06 0.45 1.74 1.79 -1.57 0.00 0.00 175.55 178.02 3ka0 h THR 195 N 4.41 0.72 -3.88 -0.71 1.35 -1.55 0.12 112.91 113.37 3ka0 h THR 195 Ca -0.46 -0.14 -0.29 0.00 -0.55 0.00 0.00 66.41 64.98 3ka0 h THR 195 Cb 1.18 0.29 -0.07 0.00 -1.73 0.00 0.00 68.15 67.82 3ka0 h THR 195 CO 0.69 0.07 -0.21 -1.54 -0.25 0.00 0.00 175.52 174.28 3ka0 n SER 196 N -5.01 -0.92 -0.60 5.36 3.41 -1.26 -0.87 113.62 113.73 3ka0 n SER 196 Ca 0.10 -2.63 0.07 0.00 -0.26 0.00 0.00 58.87 56.16 3ka0 n SER 196 Cb 0.32 1.82 0.24 0.00 -0.26 0.00 0.00 64.21 66.33 3ka0 n SER 196 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ka0 n LYS 197 N -0.49 1.76 -2.25 4.33 5.02 -1.26 -3.83 118.16 121.45 3ka0 n LYS 197 Ca 0.03 -1.17 -0.32 0.00 -2.02 0.00 0.00 58.31 54.83 3ka0 n LYS 197 Cb 0.48 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 34.16 3ka0 n LYS 197 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3ka0 s ARG 198 N -1.64 3.69 0.61 1.97 0.52 -1.26 -4.95 118.95 117.90 3ka0 s ARG 198 Ca 0.26 1.05 0.34 0.00 -0.52 0.00 0.00 55.73 56.87 3ka0 s ARG 198 Cb 0.14 -2.09 1.99 0.00 0.52 0.00 0.00 34.95 35.51 3ka0 s ARG 198 CO 0.20 -0.50 2.28 -1.35 0.02 0.00 0.00 175.30 175.95 3ka0 h PRO 199 N 0.70 0.00 -0.51 3.54 0.11 -2.05 -2.92 132.00 130.88 3ka0 h PRO 199 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ka0 h PRO 199 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ka0 h PRO 199 CO 0.60 0.01 0.00 0.27 -0.21 0.00 0.00 178.00 178.66 3ka0 n ASN 200 N -3.61 3.79 -4.55 -2.05 6.94 -1.26 -5.02 115.26 109.50 3ka0 n ASN 200 Ca -0.03 -2.25 -0.36 0.00 -0.02 0.00 0.00 54.58 51.91 3ka0 n ASN 200 Cb 0.09 -0.42 0.07 0.00 -2.36 0.00 0.00 39.78 37.15 3ka0 n ASN 200 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ka0 n ALA 201 N 0.81 -0.67 -2.63 -2.53 0.00 -1.11 -4.98 120.51 109.41 3ka0 n ALA 201 Ca 0.20 -0.15 -0.39 0.00 0.00 0.00 0.00 53.44 53.10 3ka0 n ALA 201 Cb 0.66 -2.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 3ka0 n ALA 201 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ka0 s ILE 202 N -1.78 5.05 -0.00 0.00 -1.09 -1.26 -4.87 121.20 117.25 3ka0 s ILE 202 Ca 0.71 1.16 -0.23 0.00 -2.23 0.00 0.00 60.65 60.06 3ka0 s ILE 202 Cb -0.37 -3.90 -0.05 0.00 -1.58 0.00 0.00 42.46 36.56 3ka0 s ILE 202 CO 0.52 0.35 0.68 -0.22 -1.23 0.00 0.00 174.94 175.05 3ka0 s LEU 203 N 0.30 4.40 -0.01 2.97 2.96 -1.26 -1.39 118.68 126.65 3ka0 s LEU 203 Ca 0.30 1.27 0.05 0.00 -0.22 0.00 0.00 54.13 55.53 3ka0 s LEU 203 Cb -0.17 -3.07 -0.01 0.00 0.50 0.00 0.00 46.19 43.44 3ka0 s LEU 203 CO 0.15 0.02 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.49 3ka0 s LYS 204 N 0.09 1.29 0.12 1.98 1.02 0.28 -4.75 119.74 119.77 3ka0 s LYS 204 Ca 0.35 -0.60 -0.28 0.00 0.02 0.00 0.00 55.97 55.46 3ka0 s LYS 204 Cb -0.19 -1.26 -0.07 0.00 -0.52 0.00 0.00 37.83 35.80 3ka0 s LYS 204 CO 0.19 0.34 0.88 -1.17 -0.92 0.00 0.00 175.35 174.68 3ka0 s LEU 205 N -0.46 4.52 0.35 3.17 2.96 0.85 -1.38 118.68 128.68 3ka0 s LEU 205 Ca 0.06 1.70 0.04 0.00 -0.22 0.00 0.00 54.13 55.71 3ka0 s LEU 205 Cb -0.06 -3.45 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 3ka0 s LEU 205 CO -0.00 0.03 0.16 0.28 -1.32 0.00 0.00 176.35 175.50 3ka0 s THR 206 N -0.36 0.41 -0.17 3.68 -1.32 -0.30 -1.44 115.64 116.14 3ka0 s THR 206 Ca 0.42 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.82 3ka0 s THR 206 Cb -0.23 -2.46 0.03 0.00 -1.51 0.00 0.00 72.50 68.33 3ka0 s THR 206 CO 0.28 0.00 0.16 -0.67 -2.21 0.00 0.00 174.62 172.18 3ka0 n ASP 207 N -1.15 -1.95 -1.40 8.08 -0.08 -1.26 -4.85 116.55 113.95 3ka0 n ASP 207 Ca -0.01 1.08 -0.04 0.00 -1.51 0.00 0.00 54.79 54.31 3ka0 n ASP 207 Cb 0.65 -4.37 0.23 0.00 2.34 0.00 0.00 41.12 39.96 3ka0 n ASP 207 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3ka0 n PHE 208 N 1.17 1.58 0.03 -0.67 3.01 -1.26 -4.65 117.46 116.67 3ka0 n PHE 208 Ca -0.27 -1.37 0.20 0.00 1.01 0.00 0.00 57.45 57.02 3ka0 n PHE 208 Cb 0.41 -0.55 0.70 0.00 -0.01 0.00 0.00 39.48 40.04 3ka0 n PHE 208 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3ka0 h GLY 209 N 1.53 0.00 -0.66 1.37 0.00 -1.93 -2.56 103.07 100.82 3ka0 h GLY 209 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3ka0 h GLY 209 CO 0.51 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.74 3ka0 n PHE 210 N -4.28 0.28 -1.79 5.60 3.72 -1.26 -4.95 117.46 114.77 3ka0 n PHE 210 Ca 0.09 -0.59 -0.33 0.00 -0.05 0.00 0.00 57.45 56.57 3ka0 n PHE 210 Cb 0.57 -0.08 0.04 0.00 -0.94 0.00 0.00 39.48 39.07 3ka0 n PHE 210 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ka0 s ALA 211 N -1.39 2.54 -0.19 4.37 0.00 -0.97 -4.58 121.76 121.54 3ka0 s ALA 211 Ca 0.17 0.46 -0.10 0.00 0.00 0.00 0.00 51.96 52.49 3ka0 s ALA 211 Cb 0.11 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 20.02 3ka0 s ALA 211 CO 0.07 -1.18 0.45 0.21 0.00 0.00 0.00 175.76 175.32 3ka0 s LYS 212 N -4.20 0.43 -0.23 0.00 2.20 0.31 -4.94 119.74 113.31 3ka0 s LYS 212 Ca 0.65 0.89 -0.21 0.00 -0.36 0.00 0.00 55.97 56.94 3ka0 s LYS 212 Cb -0.19 0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.17 3ka0 s LYS 212 CO 0.42 -0.17 0.65 -2.00 -0.36 0.00 0.00 175.35 173.89 3ka0 s GLU 213 N 1.63 4.17 0.00 4.03 2.12 -1.26 -0.85 118.70 128.54 3ka0 s GLU 213 Ca -0.08 0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.87 3ka0 s GLU 213 Cb -0.09 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.69 3ka0 s GLU 213 CO -0.14 -0.34 0.00 0.25 -0.54 0.00 0.00 175.26 174.49 3ka0 n THR 214 N 4.97 0.00 0.00 -1.70 -2.24 0.21 -4.98 114.28 110.53 3ka0 n THR 214 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3ka0 n THR 214 Cb 0.49 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 3ka0 n THR 214 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3ka0 n LYS 239 N 0.00 0.00 -0.06 -0.78 3.00 -1.26 -5.04 118.16 114.02 3ka0 n LYS 239 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 3ka0 n LYS 239 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 3ka0 n LYS 239 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 3ka0 h TYR 240 N 0.00 0.43 -0.21 5.64 3.20 -1.99 -2.88 116.97 121.16 3ka0 h TYR 240 Ca 0.00 -0.11 0.05 0.00 3.14 0.00 0.00 58.73 61.82 3ka0 h TYR 240 Cb 0.00 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.11 3ka0 h TYR 240 CO 0.00 0.68 -0.15 -0.44 -1.64 0.00 0.00 178.16 176.61 3ka0 h ASP 241 N 0.06 -0.50 -0.49 -2.11 3.32 -2.00 -2.28 116.42 112.42 3ka0 h ASP 241 Ca 0.04 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.23 3ka0 h ASP 241 Cb 0.57 0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.33 3ka0 h ASP 241 CO 0.03 -0.19 0.26 0.11 -1.72 0.00 0.00 179.24 177.72 3ka0 h LYS 242 N -0.16 0.50 -0.00 3.56 1.57 -1.95 -0.50 116.57 119.59 3ka0 h LYS 242 Ca 0.12 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3ka0 h LYS 242 Cb 0.34 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3ka0 h LYS 242 CO -0.30 0.33 0.00 0.66 -0.57 0.00 0.00 179.45 179.57 3ka0 h SER 243 N 0.51 0.00 -0.52 0.86 4.64 -1.24 0.19 113.55 117.99 3ka0 h SER 243 Ca 0.21 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.54 3ka0 h SER 243 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 3ka0 h SER 243 CO -0.13 0.00 0.34 0.00 -0.87 0.00 0.00 176.83 176.16 3ka0 h ASP 245 N 0.69 0.71 -0.67 0.00 3.32 -0.55 -2.35 116.42 117.56 3ka0 h ASP 245 Ca 0.19 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3ka0 h ASP 245 Cb -0.06 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3ka0 h ASP 245 CO -0.05 0.47 0.35 0.24 -1.72 0.00 0.00 179.24 178.53 3ka0 h MET 246 N 0.85 0.97 -0.57 3.56 2.86 -0.97 -2.18 114.93 119.44 3ka0 h MET 246 Ca 0.31 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 3ka0 h MET 246 Cb 0.10 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 3ka0 h MET 246 CO -0.14 0.73 0.33 2.35 1.06 0.00 0.00 176.91 181.25 3ka0 h TRP 247 N 0.97 0.76 -0.50 -0.22 7.01 -0.71 -2.06 115.95 121.20 3ka0 h TRP 247 Ca 0.24 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.30 3ka0 h TRP 247 Cb 0.07 -0.25 -0.06 0.00 -2.10 0.00 0.00 29.16 26.82 3ka0 h TRP 247 CO 0.01 0.53 0.17 0.77 -2.79 0.00 0.00 178.44 177.13 3ka0 h SER 248 N 0.77 0.16 -0.31 2.65 0.02 -1.02 -1.48 113.55 114.34 3ka0 h SER 248 Ca 0.20 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.29 3ka0 h SER 248 Cb 0.00 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.52 3ka0 h SER 248 CO -0.04 0.12 -0.17 -0.07 -1.14 0.00 0.00 176.83 175.54 3ka0 h LEU 249 N 0.34 -0.56 -0.55 5.07 4.07 -0.85 0.23 115.31 123.06 3ka0 h LEU 249 Ca 0.24 0.13 0.11 0.00 0.08 0.00 0.00 57.88 58.44 3ka0 h LEU 249 Cb 0.27 0.30 -0.11 0.00 1.08 0.00 0.00 40.66 42.20 3ka0 h LEU 249 CO -0.25 -0.20 -0.17 1.23 -1.08 0.00 0.00 178.44 177.96 3ka0 h GLY 250 N -0.13 0.31 0.93 0.83 0.00 -0.83 0.58 103.07 104.77 3ka0 h GLY 250 Ca 0.16 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 3ka0 h GLY 250 CO -0.39 -0.22 0.12 -2.08 0.00 0.00 0.00 176.54 173.97 3ka0 h VAL 251 N -0.04 1.13 -0.89 4.60 2.07 -0.11 0.01 116.25 123.03 3ka0 h VAL 251 Ca 0.26 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3ka0 h VAL 251 Cb 0.44 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3ka0 h VAL 251 CO -0.59 0.13 0.54 0.40 0.02 0.00 0.00 177.57 178.07 3ka0 h ILE 252 N 0.26 1.25 0.29 4.57 1.08 -0.34 -2.34 117.51 122.27 3ka0 h ILE 252 Ca 0.08 -0.53 -0.00 0.00 -0.39 0.00 0.00 64.86 64.02 3ka0 h ILE 252 Cb 0.10 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 33.82 3ka0 h ILE 252 CO -0.01 0.26 -0.24 0.24 -0.69 0.00 0.00 178.15 177.71 3ka0 h MET 253 N 1.23 -0.52 -0.34 2.37 2.86 -0.63 0.29 114.93 120.19 3ka0 h MET 253 Ca 0.32 0.04 0.07 0.00 -2.06 0.00 0.00 59.70 58.07 3ka0 h MET 253 Cb -0.06 0.12 -0.08 0.00 0.06 0.00 0.00 31.60 31.64 3ka0 h MET 253 CO -0.06 -0.35 -0.32 -0.92 1.06 0.00 0.00 176.91 176.32 3ka0 h TYR 254 N -0.54 -0.89 -0.70 -0.22 5.03 -0.63 -0.14 116.97 118.87 3ka0 h TYR 254 Ca -0.02 0.05 0.01 0.00 2.58 0.00 0.00 58.73 61.35 3ka0 h TYR 254 Cb 0.48 0.44 -0.04 0.00 1.55 0.00 0.00 36.73 39.16 3ka0 h TYR 254 CO -0.14 -0.38 0.47 0.82 -1.32 0.00 0.00 178.16 177.60 3ka0 h ILE 255 N -0.28 1.18 -0.90 1.81 2.04 -1.36 -1.89 117.51 118.09 3ka0 h ILE 255 Ca 0.15 -0.33 0.10 0.00 1.00 0.00 0.00 64.86 65.79 3ka0 h ILE 255 Cb 0.54 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 3ka0 h ILE 255 CO -0.49 0.17 0.58 -0.07 0.00 0.00 0.00 178.15 178.34 3ka0 h LEU 256 N 0.95 0.80 0.00 1.44 3.38 0.76 0.39 115.31 123.04 3ka0 h LEU 256 Ca 0.26 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3ka0 h LEU 256 Cb -0.10 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3ka0 h LEU 256 CO -0.06 0.47 -0.11 0.18 0.09 0.00 0.00 178.44 179.00 3ka0 n LEU 257 N -4.54 0.20 0.00 1.67 4.77 -0.32 -4.52 117.00 114.26 3ka0 n LEU 257 Ca 0.16 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3ka0 n LEU 257 Cb 0.32 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3ka0 n LEU 257 CO 0.31 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.37 3ka0 n GLY 259 N 0.20 1.01 3.22 0.00 0.00 0.13 -3.71 105.19 106.04 3ka0 n GLY 259 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3ka0 n GLY 259 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ka0 s TYR 260 N -2.00 -0.08 0.84 1.61 -0.85 -1.26 -4.20 117.35 111.40 3ka0 s TYR 260 Ca 0.00 -0.00 -0.12 0.00 -0.52 0.00 0.00 57.07 56.42 3ka0 s TYR 260 Cb 0.00 0.06 0.11 0.00 0.38 0.00 0.00 41.96 42.51 3ka0 s TYR 260 CO 0.00 -0.44 1.20 -1.25 -1.52 0.00 0.00 175.55 173.53 3ka0 s PRO 261 N -2.13 1.67 0.87 -3.49 0.04 -1.26 -4.03 135.00 126.67 3ka0 s PRO 261 Ca -0.08 -0.06 -0.12 0.00 0.04 0.00 0.00 61.00 60.78 3ka0 s PRO 261 Cb -0.03 -1.95 0.20 0.00 0.04 0.00 0.00 34.50 32.76 3ka0 s PRO 261 CO -0.01 -1.76 1.19 -0.35 0.04 0.00 0.00 177.00 176.11 3ka0 n PRO 262 N -3.38 -0.98 -1.12 0.56 -0.04 -1.26 -4.36 135.00 124.41 3ka0 n PRO 262 Ca 0.10 -2.07 -0.04 0.00 -0.04 0.00 0.00 63.50 61.45 3ka0 n PRO 262 Cb 0.61 -1.15 -0.02 0.00 -0.04 0.00 0.00 33.50 32.90 3ka0 n PRO 262 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ka0 n PHE 263 N -3.53 0.00 -1.13 0.54 3.01 -1.26 -5.06 117.46 110.04 3ka0 n PHE 263 Ca 0.16 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.23 3ka0 n PHE 263 Cb 0.55 -1.15 -0.08 0.00 -0.01 0.00 0.00 39.48 38.78 3ka0 n PHE 263 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 3ka0 n TYR 264 N -2.77 1.30 -0.91 1.38 -0.00 -1.26 -4.99 117.16 109.90 3ka0 n TYR 264 Ca -0.04 -1.16 -0.36 0.00 -0.00 0.00 0.00 57.90 56.33 3ka0 n TYR 264 Cb 0.19 -1.63 0.06 0.00 -0.00 0.00 0.00 39.34 37.97 3ka0 n TYR 264 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3ka0 n GLY 274 N 5.04 -2.84 0.08 2.98 0.00 -1.26 -4.94 105.19 104.25 3ka0 n GLY 274 Ca 0.47 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 3ka0 n GLY 274 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3ka0 h MET 275 N -1.29 -0.06 -0.73 1.61 4.05 -2.00 -2.68 114.93 113.83 3ka0 h MET 275 Ca -0.41 0.00 0.16 0.00 -0.28 0.00 0.00 59.70 59.17 3ka0 h MET 275 Cb 1.35 0.01 -0.13 0.00 -0.80 0.00 0.00 31.60 32.04 3ka0 h MET 275 CO 0.24 0.36 -0.05 -0.22 0.23 0.00 0.00 176.91 177.48 3ka0 h LYS 276 N -0.51 0.07 -0.28 0.39 3.11 -2.00 -1.77 116.57 115.59 3ka0 h LYS 276 Ca -0.01 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.83 3ka0 h LYS 276 Cb 0.46 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.66 3ka0 h LYS 276 CO 0.01 0.05 0.16 1.15 -2.81 0.00 0.00 179.45 178.00 3ka0 h THR 277 N 0.07 1.11 -0.26 1.00 2.02 -1.99 -2.23 112.91 112.63 3ka0 h THR 277 Ca 0.39 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 67.23 3ka0 h THR 277 Cb 0.66 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3ka0 h THR 277 CO -0.68 0.11 -0.04 0.03 0.37 0.00 0.00 175.52 175.31 3ka0 h ARG 278 N 0.34 0.41 -0.43 6.66 3.08 -0.98 -1.15 114.38 122.30 3ka0 h ARG 278 Ca 0.10 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 3ka0 h ARG 278 Cb 0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3ka0 h ARG 278 CO -0.02 0.48 -0.25 0.82 -1.07 0.00 0.00 179.97 179.93 3ka0 h ILE 279 N 0.39 1.27 -0.55 2.04 2.04 -1.25 0.93 117.51 122.39 3ka0 h ILE 279 Ca 0.08 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 3ka0 h ILE 279 Cb 0.34 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3ka0 h ILE 279 CO 0.01 0.48 0.33 -0.09 0.00 0.00 0.00 178.15 178.89 3ka0 h ARG 280 N 0.77 0.74 0.00 2.37 9.65 -0.70 -2.58 114.38 124.62 3ka0 h ARG 280 Ca 0.09 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3ka0 h ARG 280 Cb 0.83 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 3ka0 h ARG 280 CO 0.07 0.52 -1.05 -0.12 2.80 0.00 0.00 179.97 182.18 3ka0 n MET 281 N -4.43 0.32 -3.03 0.20 1.56 -0.52 -4.95 117.12 106.27 3ka0 n MET 281 Ca 0.05 -0.00 -0.14 0.00 -0.27 0.00 0.00 57.70 57.34 3ka0 n MET 281 Cb 0.07 -1.61 0.04 0.00 2.15 0.00 0.00 33.22 33.88 3ka0 n MET 281 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3ka0 n GLY 282 N 1.35 0.02 3.45 -5.12 0.00 -0.48 -4.97 105.19 99.45 3ka0 n GLY 282 Ca 0.02 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 3ka0 n GLY 282 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ka0 s GLN 283 N -5.63 3.73 0.15 1.61 0.74 0.20 -4.95 119.66 115.50 3ka0 s GLN 283 Ca 0.31 -1.97 -0.01 0.00 0.05 0.00 0.00 55.36 53.74 3ka0 s GLN 283 Cb -0.13 -4.96 -0.04 0.00 1.10 0.00 0.00 33.01 28.98 3ka0 s GLN 283 CO 0.38 -1.77 0.06 1.52 -0.55 0.00 0.00 175.29 174.93 3ka0 s TYR 284 N 2.41 0.99 0.25 1.67 1.13 -1.26 -4.03 117.35 118.52 3ka0 s TYR 284 Ca 0.35 -1.23 -0.05 0.00 -1.41 0.00 0.00 57.07 54.74 3ka0 s TYR 284 Cb -0.04 -0.54 -0.02 0.00 -1.10 0.00 0.00 41.96 40.26 3ka0 s TYR 284 CO -0.07 -0.49 0.32 -1.83 -2.51 0.00 0.00 175.55 170.97 3ka0 s GLU 285 N -4.05 1.50 -0.62 -3.49 -1.05 -1.26 -4.98 118.70 104.75 3ka0 s GLU 285 Ca 0.27 -1.56 -0.03 0.00 -0.15 0.00 0.00 54.97 53.51 3ka0 s GLU 285 Cb 0.07 0.37 0.16 0.00 -0.44 0.00 0.00 34.13 34.30 3ka0 s GLU 285 CO 0.04 -0.57 0.43 -0.06 0.95 0.00 0.00 175.26 176.06 3ka0 s PHE 286 N -3.85 3.40 0.25 4.83 0.40 -1.26 -4.94 117.98 116.82 3ka0 s PHE 286 Ca 0.32 -2.73 -0.30 0.00 -0.60 0.00 0.00 56.93 53.62 3ka0 s PHE 286 Cb 0.03 -3.19 -0.09 0.00 0.51 0.00 0.00 43.02 40.28 3ka0 s PHE 286 CO 0.14 -0.84 1.15 -2.14 0.70 0.00 0.00 175.22 174.23 3ka0 s PRO 287 N -0.07 4.56 0.46 0.24 0.02 -1.26 -4.74 135.00 134.22 3ka0 s PRO 287 Ca 0.17 1.87 -0.22 0.00 0.02 0.00 0.00 61.00 62.83 3ka0 s PRO 287 Cb -0.20 -3.20 -0.08 0.00 0.02 0.00 0.00 34.50 31.04 3ka0 s PRO 287 CO -0.03 0.07 1.12 -0.80 -0.33 0.00 0.00 177.00 177.02 3ka0 s ASN 288 N -0.48 6.27 0.03 2.53 0.01 -1.26 -1.06 114.94 120.98 3ka0 s ASN 288 Ca 0.48 2.18 -0.16 0.00 -0.71 0.00 0.00 52.86 54.65 3ka0 s ASN 288 Cb -0.33 -2.59 -0.36 0.00 0.41 0.00 0.00 41.25 38.39 3ka0 s ASN 288 CO 0.41 -0.84 1.01 1.55 -1.51 0.00 0.00 177.10 177.72 3ka0 h PRO 289 N 1.98 0.55 -0.79 -0.60 0.13 -2.03 -3.46 132.00 127.77 3ka0 h PRO 289 Ca -0.49 -0.93 0.32 0.00 -0.87 0.00 0.00 66.00 64.03 3ka0 h PRO 289 Cb 1.24 0.34 -0.14 0.00 0.13 0.00 0.00 31.00 32.57 3ka0 h PRO 289 CO 0.60 1.44 0.40 0.39 -0.23 0.00 0.00 178.00 180.60 3ka0 n GLU 290 N -3.72 -0.05 -0.05 0.86 4.71 -1.20 -0.86 120.64 120.34 3ka0 n GLU 290 Ca -0.17 1.09 0.11 0.00 -0.01 0.00 0.00 57.16 58.18 3ka0 n GLU 290 Cb 1.10 -1.94 0.12 0.00 -1.01 0.00 0.00 31.44 29.71 3ka0 n GLU 290 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 3ka0 n TRP 291 N -4.79 0.14 -0.29 -0.32 7.02 -0.23 -4.66 117.44 114.31 3ka0 n TRP 291 Ca 0.29 -0.08 -0.03 0.00 -1.02 0.00 0.00 57.50 56.66 3ka0 n TRP 291 Cb 0.99 -0.00 0.08 0.00 -2.42 0.00 0.00 31.31 29.96 3ka0 n TRP 291 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3ka0 h SER 292 N 4.08 0.88 -0.93 -0.99 4.64 -1.22 -2.79 113.55 117.22 3ka0 h SER 292 Ca 0.00 -0.02 -0.62 0.00 -0.47 0.00 0.00 61.79 60.68 3ka0 h SER 292 Cb 0.89 -0.21 -0.31 0.00 -0.31 0.00 0.00 62.40 62.46 3ka0 h SER 292 CO 0.00 0.63 0.54 -0.62 -0.87 0.00 0.00 176.83 176.51 3ka0 n GLU 293 N -4.56 2.77 -4.51 4.77 -0.58 -1.26 -4.92 120.64 112.35 3ka0 n GLU 293 Ca 0.09 -3.41 -0.33 0.00 -0.42 0.00 0.00 57.16 53.08 3ka0 n GLU 293 Cb 0.04 -2.26 -0.13 0.00 -0.57 0.00 0.00 31.44 28.53 3ka0 n GLU 293 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3ka0 s VAL 294 N -4.59 3.68 0.18 2.62 1.01 -1.05 -5.06 120.40 117.18 3ka0 s VAL 294 Ca 0.61 -0.44 -0.33 0.00 0.00 0.00 0.00 61.98 61.83 3ka0 s VAL 294 Cb 0.49 -2.59 -0.15 0.00 0.00 0.00 0.00 36.38 34.12 3ka0 s VAL 294 CO 0.01 0.51 1.27 -0.24 0.00 0.00 0.00 175.10 176.65 3ka0 n SER 295 N 3.47 1.88 -0.09 3.32 2.88 -1.26 -4.88 113.62 118.94 3ka0 n SER 295 Ca -0.18 1.14 0.09 0.00 -1.33 0.00 0.00 58.87 58.59 3ka0 n SER 295 Cb 0.53 -1.29 0.44 0.00 -0.75 0.00 0.00 64.21 63.14 3ka0 n SER 295 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3ka0 h GLU 296 N 3.86 0.52 -0.19 -1.46 4.57 -1.98 -1.24 114.58 118.67 3ka0 h GLU 296 Ca -0.44 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 57.74 3ka0 h GLU 296 Cb 1.32 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.76 3ka0 h GLU 296 CO 0.73 0.35 -0.03 1.49 -1.18 0.00 0.00 179.01 180.37 3ka0 h GLU 297 N 0.54 0.02 -0.97 1.92 4.81 -1.99 0.17 114.58 119.08 3ka0 h GLU 297 Ca 0.26 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 3ka0 h GLU 297 Cb 0.34 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 3ka0 h GLU 297 CO -0.08 0.01 0.64 0.28 -0.73 0.00 0.00 179.01 179.13 3ka0 h VAL 298 N 0.02 1.22 -0.28 0.32 2.07 -1.61 -1.82 116.25 116.16 3ka0 h VAL 298 Ca 0.09 -0.44 -0.15 0.00 0.82 0.00 0.00 66.70 67.03 3ka0 h VAL 298 Cb 0.13 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.72 3ka0 h VAL 298 CO -0.18 0.23 -0.40 0.11 0.02 0.00 0.00 177.57 177.35 3ka0 h LYS 299 N 1.28 0.76 -0.94 1.57 1.57 -0.79 -1.88 116.57 118.15 3ka0 h LYS 299 Ca 0.37 -0.45 0.13 0.00 -1.87 0.00 0.00 60.65 58.83 3ka0 h LYS 299 Cb -0.09 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.18 3ka0 h LYS 299 CO -0.10 1.07 0.60 1.98 -0.57 0.00 0.00 179.45 182.44 3ka0 h MET 300 N 0.51 0.82 0.14 3.15 4.05 -0.50 0.37 114.93 123.48 3ka0 h MET 300 Ca 0.03 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 3ka0 h MET 300 Cb 0.99 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 3ka0 h MET 300 CO 0.09 0.54 -0.07 1.25 0.23 0.00 0.00 176.91 178.96 3ka0 h LEU 301 N 0.85 -0.16 -0.47 3.39 5.85 -0.61 0.39 115.31 124.55 3ka0 h LEU 301 Ca 0.46 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 59.10 3ka0 h LEU 301 Cb 0.58 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3ka0 h LEU 301 CO -0.23 0.05 0.20 0.40 -0.34 0.00 0.00 178.44 178.52 3ka0 h ILE 302 N -0.36 0.89 -0.81 4.05 2.04 -0.71 -1.68 117.51 120.93 3ka0 h ILE 302 Ca -0.02 -0.13 0.15 0.00 1.00 0.00 0.00 64.86 65.86 3ka0 h ILE 302 Cb 0.29 0.46 -0.10 0.00 -0.74 0.00 0.00 36.82 36.73 3ka0 h ILE 302 CO 0.03 0.07 0.36 0.03 0.00 0.00 0.00 178.15 178.65 3ka0 h ARG 303 N 0.39 0.49 -0.64 2.37 3.08 0.07 -0.63 114.38 119.51 3ka0 h ARG 303 Ca 0.22 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 3ka0 h ARG 303 Cb 0.19 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3ka0 h ARG 303 CO -0.20 0.32 0.13 -0.91 -1.07 0.00 0.00 179.97 178.25 3ka0 h ASN 304 N 0.50 0.99 -0.11 7.04 -0.26 -0.03 -2.95 115.58 120.76 3ka0 h ASN 304 Ca 0.45 -0.25 -0.14 0.00 -0.56 0.00 0.00 56.30 55.81 3ka0 h ASN 304 Cb 0.70 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.69 3ka0 h ASN 304 CO -0.41 0.98 -0.39 -0.07 -1.06 0.00 0.00 177.43 176.48 3ka0 h LEU 305 N 0.95 0.67 -0.51 1.61 3.38 -0.64 -3.13 115.31 117.64 3ka0 h LEU 305 Ca 0.20 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ka0 h LEU 305 Cb 0.39 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ka0 h LEU 305 CO 0.01 0.99 -0.03 0.18 0.09 0.00 0.00 178.44 179.68 3ka0 n LEU 306 N -4.04 0.83 -4.27 1.67 4.77 -0.34 -4.09 117.00 111.53 3ka0 n LEU 306 Ca -0.02 -0.25 -0.55 0.00 -0.03 0.00 0.00 56.01 55.16 3ka0 n LEU 306 Cb 0.52 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 3ka0 n LEU 306 CO 0.46 0.14 0.50 0.29 -1.33 0.00 0.00 177.39 177.45 3ka0 n LYS 307 N -0.42 0.00 0.05 3.23 4.76 -1.12 -4.84 118.16 119.82 3ka0 n LYS 307 Ca 0.20 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.57 3ka0 n LYS 307 Cb 0.26 -1.39 0.11 0.00 -1.84 0.00 0.00 35.03 32.17 3ka0 n LYS 307 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3ka0 h THR 308 N 2.71 1.34 -3.54 -0.18 2.02 -1.91 -3.40 112.91 109.95 3ka0 h THR 308 Ca -0.47 -1.80 -0.61 0.00 0.77 0.00 0.00 66.41 64.31 3ka0 h THR 308 Cb 1.36 1.82 -0.11 0.00 -1.74 0.00 0.00 68.15 69.48 3ka0 h THR 308 CO 0.61 0.55 0.44 -0.70 0.37 0.00 0.00 175.52 176.79 3ka0 s GLU 309 N -3.96 3.72 0.21 6.66 2.56 -1.26 -4.96 118.70 121.67 3ka0 s GLU 309 Ca -0.06 0.32 -0.10 0.00 0.00 0.00 0.00 54.97 55.13 3ka0 s GLU 309 Cb 0.12 -3.83 0.28 0.00 2.00 0.00 0.00 34.13 32.70 3ka0 s GLU 309 CO 0.81 -0.93 1.72 -1.35 -0.56 0.00 0.00 175.26 174.96 3ka0 h PRO 310 N 8.57 0.30 0.00 4.30 0.11 -1.99 -0.26 132.00 143.03 3ka0 h PRO 310 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3ka0 h PRO 310 Cb 1.09 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3ka0 h PRO 310 CO 0.94 0.20 0.00 0.25 -0.21 0.00 0.00 178.00 179.18 3ka0 n THR 311 N -5.08 1.25 0.08 -1.15 -2.24 -1.26 -1.50 114.28 104.38 3ka0 n THR 311 Ca 0.08 0.56 -0.01 0.00 -2.27 0.00 0.00 64.05 62.41 3ka0 n THR 311 Cb 0.30 -1.53 -0.05 0.00 -2.10 0.00 0.00 70.33 66.95 3ka0 n THR 311 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3ka0 h GLN 312 N 0.00 0.00 -7.17 -0.78 4.20 -1.41 -3.48 115.11 106.47 3ka0 h GLN 312 Ca 0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 3ka0 h GLN 312 Cb 0.08 0.00 0.15 0.00 0.30 0.00 0.00 27.48 28.01 3ka0 h GLN 312 CO 0.00 0.55 0.41 1.03 -0.67 0.00 0.00 178.83 180.14 3ka0 s ARG 313 N -2.87 2.21 0.71 1.46 0.52 -0.57 -4.98 118.95 115.43 3ka0 s ARG 313 Ca 0.01 1.79 -0.11 0.00 -0.52 0.00 0.00 55.73 56.90 3ka0 s ARG 313 Cb 0.08 -1.84 0.02 0.00 0.52 0.00 0.00 34.95 33.73 3ka0 s ARG 313 CO 0.79 -1.79 1.07 0.00 0.02 0.00 0.00 175.30 175.38 3ka0 s MET 314 N -3.84 2.79 0.70 3.54 0.23 -1.24 -5.02 119.30 116.46 3ka0 s MET 314 Ca 0.75 1.02 -0.04 0.00 -1.03 0.00 0.00 55.69 56.40 3ka0 s MET 314 Cb -0.30 -1.97 0.09 0.00 -1.53 0.00 0.00 34.83 31.12 3ka0 s MET 314 CO 0.44 -1.22 0.98 0.95 -2.03 0.00 0.00 175.02 174.15 3ka0 s THR 315 N -2.97 2.29 0.30 3.16 -4.23 -1.26 -4.90 115.64 108.03 3ka0 s THR 315 Ca 0.59 -0.45 -0.00 0.00 -1.18 0.00 0.00 61.69 60.65 3ka0 s THR 315 Cb -0.15 -2.84 0.19 0.00 1.34 0.00 0.00 72.50 71.03 3ka0 s THR 315 CO 0.54 0.00 1.88 -0.29 -0.54 0.00 0.00 174.62 176.21 3ka0 h ILE 316 N -0.52 1.21 -0.45 2.99 6.09 -1.96 -1.50 117.51 123.38 3ka0 h ILE 316 Ca -0.41 -0.66 -0.02 0.00 -1.37 0.00 0.00 64.86 62.40 3ka0 h ILE 316 Cb 1.29 0.54 -0.02 0.00 0.47 0.00 0.00 36.82 39.09 3ka0 h ILE 316 CO 0.49 0.26 0.21 0.74 -3.07 0.00 0.00 178.15 176.78 3ka0 h THR 317 N 0.82 1.19 -0.35 2.19 2.02 -1.97 0.21 112.91 117.02 3ka0 h THR 317 Ca 0.19 -0.53 -0.12 0.00 0.77 0.00 0.00 66.41 66.73 3ka0 h THR 317 Cb 0.18 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3ka0 h THR 317 CO -0.02 0.20 -0.26 -0.33 0.37 0.00 0.00 175.52 175.49 3ka0 h GLU 318 N 0.58 0.71 0.04 6.66 5.08 -1.88 -1.62 114.58 124.15 3ka0 h GLU 318 Ca 0.15 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3ka0 h GLU 318 Cb 0.13 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3ka0 h GLU 318 CO -0.02 0.89 -0.03 0.35 -1.00 0.00 0.00 179.01 179.20 3ka0 h PHE 319 N 0.61 -0.08 0.00 4.33 3.57 -0.86 -2.31 116.94 122.20 3ka0 h PHE 319 Ca 0.08 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3ka0 h PHE 319 Cb 0.76 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.53 3ka0 h PHE 319 CO 0.04 -0.05 0.00 1.98 -2.23 0.00 0.00 178.31 178.04 3ka0 h MET 320 N -0.08 0.00 -0.04 1.11 4.05 -0.29 -1.31 114.93 118.36 3ka0 h MET 320 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3ka0 h MET 320 Cb 0.07 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 3ka0 h MET 320 CO -0.00 0.00 0.00 0.09 0.23 0.00 0.00 176.91 177.23 3ka0 n ASN 321 N -2.57 3.00 -4.74 1.39 3.02 -0.63 -4.21 115.26 110.52 3ka0 n ASN 321 Ca 0.01 -2.00 -0.41 0.00 -0.03 0.00 0.00 54.58 52.15 3ka0 n ASN 321 Cb 0.22 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.36 3ka0 n ASN 321 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3ka0 s HIS 322 N -1.98 3.28 0.27 3.10 2.46 -0.50 -4.76 115.29 117.17 3ka0 s HIS 322 Ca 0.28 1.26 -0.02 0.00 0.47 0.00 0.00 55.06 57.05 3ka0 s HIS 322 Cb 0.20 -3.57 0.59 0.00 -0.13 0.00 0.00 32.58 29.67 3ka0 s HIS 322 CO 0.30 -1.76 1.65 -1.35 -2.47 0.00 0.00 174.74 171.11 3ka0 h PRO 323 N 5.32 0.20 -0.54 2.88 0.11 -1.92 0.59 132.00 138.64 3ka0 h PRO 323 Ca -0.45 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.75 3ka0 h PRO 323 Cb 1.21 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3ka0 h PRO 323 CO 0.77 0.13 0.37 2.35 -0.21 0.00 0.00 178.00 181.40 3ka0 h TRP 324 N 0.21 0.35 0.05 0.65 7.01 -1.91 -1.60 115.95 120.71 3ka0 h TRP 324 Ca 0.49 0.01 -0.35 0.00 2.11 0.00 0.00 58.89 61.15 3ka0 h TRP 324 Cb 0.93 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.83 3ka0 h TRP 324 CO -0.30 0.17 -1.96 -0.89 -2.79 0.00 0.00 178.44 172.67 3ka0 n ILE 325 N -4.46 1.62 0.01 2.65 2.08 0.24 -4.38 119.36 117.11 3ka0 n ILE 325 Ca 0.09 -0.41 -0.12 0.00 0.56 0.00 0.00 62.75 62.87 3ka0 n ILE 325 Cb 0.37 -1.80 -0.07 0.00 -0.75 0.00 0.00 39.64 37.39 3ka0 n ILE 325 CO 0.00 0.00 0.00 -0.03 0.56 0.00 0.00 176.55 177.08 3ka0 h MET 326 N -0.44 0.05 -3.33 0.38 1.85 0.28 -3.27 114.93 110.46 3ka0 h MET 326 Ca -0.48 -0.01 -0.72 0.00 -0.61 0.00 0.00 59.70 57.89 3ka0 h MET 326 Cb 1.73 -0.01 -0.34 0.00 0.43 0.00 0.00 31.60 33.40 3ka0 h MET 326 CO -0.12 0.16 -0.00 0.00 -0.40 0.00 0.00 176.91 176.55 3ka0 n GLN 327 N -5.00 2.80 0.00 0.39 10.64 -0.62 -4.89 117.38 120.70 3ka0 n GLN 327 Ca -0.07 -4.48 0.03 0.00 -1.83 0.00 0.00 57.00 50.65 3ka0 n GLN 327 Cb 0.09 -2.43 0.16 0.00 -0.86 0.00 0.00 30.24 27.20 3ka0 n GLN 327 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3ka0 n SER 328 N 2.32 0.00 -3.01 2.61 7.64 -1.24 -3.15 113.62 118.79 3ka0 n SER 328 Ca 0.22 -1.15 -0.15 0.00 1.01 0.00 0.00 58.87 58.80 3ka0 n SER 328 Cb 0.37 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.56 3ka0 n SER 328 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3ka0 n THR 329 N -0.63 0.27 -1.11 0.44 -1.04 -1.26 -4.48 114.28 106.48 3ka0 n THR 329 Ca 0.04 -4.13 0.00 0.00 -2.04 0.00 0.00 64.05 57.92 3ka0 n THR 329 Cb 0.02 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 3ka0 n THR 329 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3ka0 n LYS 330 N 0.16 0.00 -3.34 -2.82 3.00 -1.19 -5.10 118.16 108.88 3ka0 n LYS 330 Ca 0.20 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.13 3ka0 n LYS 330 Cb 0.71 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.67 3ka0 n LYS 330 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3ka0 s VAL 331 N 0.00 5.18 0.23 3.15 1.01 -1.25 -5.04 120.40 123.68 3ka0 s VAL 331 Ca 0.00 0.85 -0.32 0.00 0.00 0.00 0.00 61.98 62.51 3ka0 s VAL 331 Cb 0.00 -3.78 -0.14 0.00 0.00 0.00 0.00 36.38 32.46 3ka0 s VAL 331 CO 0.00 0.27 1.40 -0.81 0.00 0.00 0.00 175.10 175.96 3ka0 n PRO 332 N 4.20 1.98 0.00 2.72 -0.04 -1.26 -4.55 135.00 138.05 3ka0 n PRO 332 Ca -0.07 0.70 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 3ka0 n PRO 332 Cb 0.51 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 3ka0 n PRO 332 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3ka0 n GLN 333 N 2.10 0.53 -1.72 0.54 1.13 -1.26 -3.33 117.38 115.38 3ka0 n GLN 333 Ca 0.12 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.76 3ka0 n GLN 333 Cb 0.31 -1.25 -0.03 0.00 0.11 0.00 0.00 30.24 29.37 3ka0 n GLN 333 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 3ka0 n THR 334 N 0.42 0.04 -1.97 5.09 5.66 -1.26 -4.56 114.28 117.70 3ka0 n THR 334 Ca 0.00 -0.01 -0.34 0.00 -3.05 0.00 0.00 64.05 60.64 3ka0 n THR 334 Cb 0.18 -1.96 0.03 0.00 -1.55 0.00 0.00 70.33 67.04 3ka0 n THR 334 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3ka0 s PRO 335 N 1.09 2.99 0.04 1.09 0.04 -1.26 -0.28 135.00 138.70 3ka0 s PRO 335 Ca 0.75 1.59 0.07 0.00 0.04 0.00 0.00 61.00 63.44 3ka0 s PRO 335 Cb -0.51 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 3ka0 s PRO 335 CO 0.33 -1.14 -0.19 -0.51 0.04 0.00 0.00 177.00 175.53 3ka0 s LEU 336 N -4.33 2.16 0.00 -3.56 1.43 -1.26 -4.65 118.68 108.47 3ka0 s LEU 336 Ca 0.72 -0.50 0.23 0.00 -1.03 0.00 0.00 54.13 53.54 3ka0 s LEU 336 Cb -0.24 -0.90 1.29 0.00 0.03 0.00 0.00 46.19 46.37 3ka0 s LEU 336 CO 0.35 0.14 1.75 1.41 0.23 0.00 0.00 176.35 180.22 3ka0 n HIS 337 N 1.88 0.00 -0.14 0.29 8.25 -1.26 -4.35 115.22 119.89 3ka0 n HIS 337 Ca -0.17 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.19 3ka0 n HIS 337 Cb 0.54 -0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.49 3ka0 n HIS 337 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3ka0 h THR 338 N 0.00 0.10 -0.80 1.59 2.02 -1.81 -1.66 112.91 112.35 3ka0 h THR 338 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 3ka0 h THR 338 Cb 0.08 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.55 3ka0 h THR 338 CO 0.00 0.00 0.33 -1.28 0.37 0.00 0.00 175.52 174.94 3ka0 h SER 339 N -0.32 1.10 -0.10 4.18 0.87 -1.80 0.17 113.55 117.63 3ka0 h SER 339 Ca 0.14 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 3ka0 h SER 339 Cb 0.58 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3ka0 h SER 339 CO -0.59 0.96 -0.01 -0.09 -0.53 0.00 0.00 176.83 176.57 3ka0 h ARG 340 N 1.16 0.19 -0.56 2.24 2.43 -1.81 -2.82 114.38 115.21 3ka0 h ARG 340 Ca 0.27 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3ka0 h ARG 340 Cb 0.20 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3ka0 h ARG 340 CO -0.02 0.46 0.28 0.28 -1.51 0.00 0.00 179.97 179.46 3ka0 h VAL 341 N -0.10 1.20 0.00 0.20 2.07 -1.00 0.11 116.25 118.73 3ka0 h VAL 341 Ca 0.03 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3ka0 h VAL 341 Cb 0.38 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3ka0 h VAL 341 CO 0.01 0.23 0.00 0.25 0.02 0.00 0.00 177.57 178.07 3ka0 h LEU 342 N 0.76 0.00 0.00 2.57 5.85 -0.72 0.69 115.31 124.47 3ka0 h LEU 342 Ca 0.19 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.71 3ka0 h LEU 342 Cb 0.11 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3ka0 h LEU 342 CO -0.03 0.00 -1.15 0.50 -0.34 0.00 0.00 178.44 177.42 3ka0 h LYS 343 N 0.00 0.00 0.06 1.25 3.64 -0.92 -3.18 116.57 117.43 3ka0 h LYS 343 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ka0 h LYS 343 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3ka0 h LYS 343 CO 0.00 0.93 -0.03 0.93 -2.27 0.00 0.00 179.45 179.01 3ka0 h GLU 344 N -1.00 -0.07 -0.15 1.90 5.08 -0.88 -3.05 114.58 116.41 3ka0 h GLU 344 Ca -0.31 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3ka0 h GLU 344 Cb 1.24 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3ka0 h GLU 344 CO -0.19 0.04 0.00 -3.47 -1.00 0.00 0.00 179.01 174.40 3ka0 n ASP 345 N -5.08 0.19 -4.75 1.42 2.03 0.22 -4.82 116.55 105.76 3ka0 n ASP 345 Ca -0.08 -2.00 -0.32 0.00 0.52 0.00 0.00 54.79 52.91 3ka0 n ASP 345 Cb 0.10 -0.08 0.08 0.00 -0.72 0.00 0.00 41.12 40.51 3ka0 n ASP 345 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3ka0 s LYS 346 N -1.85 2.28 0.00 -0.67 -2.85 -1.15 -2.73 119.74 112.76 3ka0 s LYS 346 Ca 0.01 1.42 0.00 0.00 -1.00 0.00 0.00 55.97 56.39 3ka0 s LYS 346 Cb 0.00 -1.88 0.00 0.00 -2.06 0.00 0.00 37.83 33.89 3ka0 s LYS 346 CO 0.00 -1.66 0.00 -1.91 0.10 0.00 0.00 175.35 171.88 3ka0 n GLU 347 N -3.04 0.00 0.23 1.78 4.07 -1.26 -4.71 120.64 117.71 3ka0 n GLU 347 Ca 0.11 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.32 3ka0 n GLU 347 Cb 0.52 0.00 0.41 0.00 -0.06 0.00 0.00 31.44 32.31 3ka0 n GLU 347 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 3ka0 h ARG 348 N 0.00 0.00 -0.98 5.31 2.43 -1.89 -3.35 114.38 115.90 3ka0 h ARG 348 Ca 0.00 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 3ka0 h ARG 348 Cb 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.48 3ka0 h ARG 348 CO 0.00 0.16 0.62 2.35 -1.51 0.00 0.00 179.97 181.60 3ka0 h TRP 349 N 0.00 1.15 -0.33 2.20 2.91 -1.84 0.26 115.95 120.29 3ka0 h TRP 349 Ca -0.00 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.03 3ka0 h TRP 349 Cb 0.81 -0.37 -0.02 0.00 -0.51 0.00 0.00 29.16 29.07 3ka0 h TRP 349 CO 0.00 0.55 0.12 0.93 -1.03 0.00 0.00 178.44 179.02 3ka0 h GLU 350 N 1.09 0.46 -0.00 2.65 4.39 -1.95 -1.40 114.58 119.82 3ka0 h GLU 350 Ca 0.44 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.91 3ka0 h GLU 350 Cb 0.26 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3ka0 h GLU 350 CO -0.20 0.39 -0.82 -0.44 -1.16 0.00 0.00 179.01 176.79 3ka0 h ASP 351 N 0.46 0.16 0.41 1.42 5.19 -0.74 -2.74 116.42 120.58 3ka0 h ASP 351 Ca 0.11 -0.13 -0.30 0.00 -0.62 0.00 0.00 57.03 56.10 3ka0 h ASP 351 Cb 0.11 -0.05 0.02 0.00 0.18 0.00 0.00 39.33 39.59 3ka0 h ASP 351 CO -0.01 0.91 -1.32 -0.37 -3.12 0.00 0.00 179.24 175.32 3ka0 h VAL 352 N 0.07 1.38 -0.97 -1.35 -1.51 -0.88 -0.66 116.25 112.33 3ka0 h VAL 352 Ca -0.03 -2.81 0.17 0.00 -1.23 0.00 0.00 66.70 62.80 3ka0 h VAL 352 Cb 1.43 2.93 -0.09 0.00 -2.13 0.00 0.00 31.29 33.43 3ka0 h VAL 352 CO 0.12 0.83 0.61 0.11 -1.23 0.00 0.00 177.57 178.01 3ka0 h LYS 353 N 0.14 0.70 -0.01 5.19 1.57 -1.34 -0.83 116.57 121.99 3ka0 h LYS 353 Ca -0.19 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 3ka0 h LYS 353 Cb 2.03 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.18 3ka0 h LYS 353 CO 0.24 0.47 -0.11 1.49 -0.57 0.00 0.00 179.45 180.97 3ka0 h GLU 354 N 0.72 0.09 -0.09 3.15 4.81 -1.22 -2.30 114.58 119.75 3ka0 h GLU 354 Ca 0.52 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.69 3ka0 h GLU 354 Cb 0.85 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 3ka0 h GLU 354 CO -0.29 0.79 -0.04 0.93 -0.73 0.00 0.00 179.01 179.67 3ka0 h GLU 355 N -0.58 -0.03 -0.29 1.92 4.39 -0.97 -2.69 114.58 116.33 3ka0 h GLU 355 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3ka0 h GLU 355 Cb 0.82 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 3ka0 h GLU 355 CO 0.02 -0.02 0.12 1.98 -1.16 0.00 0.00 179.01 179.95 3ka0 h MET 356 N -0.03 0.40 -0.42 2.33 4.05 -1.21 0.81 114.93 120.86 3ka0 h MET 356 Ca 0.05 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 3ka0 h MET 356 Cb 0.10 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 3ka0 h MET 356 CO -0.11 0.33 0.04 1.15 0.23 0.00 0.00 176.91 178.56 3ka0 h THR 357 N 0.40 1.21 0.00 -0.77 2.02 -1.10 -1.94 112.91 112.73 3ka0 h THR 357 Ca 0.10 -0.80 -0.20 0.00 0.77 0.00 0.00 66.41 66.28 3ka0 h THR 357 Cb 0.08 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3ka0 h THR 357 CO -0.01 0.28 -1.50 -1.54 0.37 0.00 0.00 175.52 173.12 3ka0 n SER 358 N -4.27 0.84 0.17 4.18 3.41 -0.52 -1.47 113.62 115.95 3ka0 n SER 358 Ca 0.02 0.38 -0.15 0.00 -0.26 0.00 0.00 58.87 58.87 3ka0 n SER 358 Cb 0.24 0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 3ka0 n SER 358 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ka0 h ALA 359 N 1.32 -0.70 -0.60 7.33 0.00 -0.84 0.96 119.26 126.73 3ka0 h ALA 359 Ca -0.20 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.71 3ka0 h ALA 359 Cb 1.69 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 19.97 3ka0 h ALA 359 CO 0.05 -0.94 0.24 -0.07 0.00 0.00 0.00 179.25 178.53 3ka0 h LEU 360 N -0.66 0.25 -1.55 0.00 3.38 -1.37 0.49 115.31 115.85 3ka0 h LEU 360 Ca 0.00 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3ka0 h LEU 360 Cb 0.64 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3ka0 h LEU 360 CO -0.14 0.15 0.34 0.00 0.09 0.00 0.00 178.44 178.88 3ka0 h ALA 361 N 1.41 1.74 -0.08 1.53 0.00 -0.96 -1.79 119.26 121.11 3ka0 h ALA 361 Ca 0.30 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 3ka0 h ALA 361 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ka0 h ALA 361 CO -0.29 0.21 -0.61 1.15 0.00 0.00 0.00 179.25 179.71 3ka0 h THR 362 N 0.59 1.38 0.00 0.00 2.02 0.14 -3.19 112.91 113.86 3ka0 h THR 362 Ca 0.20 -1.99 0.00 0.00 0.77 0.00 0.00 66.41 65.39 3ka0 h THR 362 Cb 0.07 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3ka0 h THR 362 CO -0.05 0.59 -0.37 0.00 0.37 0.00 0.00 175.52 176.06 3ka0 h MET 363 N 0.20 0.00 0.00 6.66 -0.00 -0.45 -3.51 114.93 117.82 3ka0 h MET 363 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 3ka0 h MET 363 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.72 3ka0 h MET 363 CO 0.10 0.00 0.00 -2.13 -0.00 0.00 0.00 176.91 174.88