#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksm s LYS 40 N 0.00 2.47 -0.09 -0.52 2.20 -1.26 -2.19 119.74 120.35 3ksm s LYS 40 Ca 0.00 -0.73 0.03 0.00 -0.36 0.00 0.00 55.97 54.91 3ksm s LYS 40 Cb 0.00 -1.95 -0.02 0.00 -1.51 0.00 0.00 37.83 34.35 3ksm s LYS 40 CO 0.00 0.18 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.50 3ksm s LEU 41 N 0.31 2.57 -0.22 5.43 1.43 -0.09 -0.10 118.68 128.00 3ksm s LEU 41 Ca -0.14 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.57 3ksm s LEU 41 Cb -0.16 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 3ksm s LEU 41 CO 0.06 0.25 0.05 -0.22 0.23 0.00 0.00 176.35 176.71 3ksm s LEU 42 N -0.15 3.45 -0.22 1.79 2.96 -0.33 -0.26 118.68 125.92 3ksm s LEU 42 Ca -0.02 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 3ksm s LEU 42 Cb -0.14 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 3ksm s LEU 42 CO 0.04 0.03 0.01 -0.22 -1.32 0.00 0.00 176.35 174.88 3ksm s LEU 43 N 1.23 3.21 -0.27 -0.68 2.96 0.14 -0.63 118.68 124.65 3ksm s LEU 43 Ca 0.04 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3ksm s LEU 43 Cb -0.14 -1.83 0.07 0.00 0.50 0.00 0.00 46.19 44.79 3ksm s LEU 43 CO 0.03 0.01 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.36 3ksm s VAL 44 N 1.33 1.64 0.50 1.68 1.01 -0.15 -1.31 120.40 125.11 3ksm s VAL 44 Ca 0.04 -1.51 0.01 0.00 0.00 0.00 0.00 61.98 60.52 3ksm s VAL 44 Cb -0.15 -2.00 0.10 0.00 0.00 0.00 0.00 36.38 34.34 3ksm s VAL 44 CO 0.01 -0.28 0.69 0.18 0.00 0.00 0.00 175.10 175.70 3ksm n LEU 45 N 4.59 0.00 0.19 3.92 4.77 -1.26 -1.22 117.00 128.00 3ksm n LEU 45 Ca -0.08 -1.54 0.06 0.00 -0.03 0.00 0.00 56.01 54.43 3ksm n LEU 45 Cb 0.43 -0.44 0.36 0.00 -2.33 0.00 0.00 43.42 41.44 3ksm n LEU 45 CO 0.18 -0.82 0.70 0.11 -1.33 0.00 0.00 177.39 176.22 3ksm h LYS 46 N 0.00 0.00 0.00 3.23 1.57 -1.95 -3.41 116.57 116.01 3ksm h LYS 46 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3ksm h LYS 46 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3ksm h LYS 46 CO 0.26 0.36 0.00 0.41 -0.57 0.00 0.00 179.45 179.91 3ksm n GLY 47 N 0.14 -0.71 0.41 3.86 0.00 -1.26 -3.76 105.19 103.87 3ksm n GLY 47 Ca -0.00 -1.32 0.07 0.00 0.00 0.00 0.00 46.02 44.76 3ksm n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ksm n ASP 48 N 2.01 1.98 -0.28 1.61 2.03 0.02 -4.76 116.55 119.17 3ksm n ASP 48 Ca 0.00 -3.59 0.15 0.00 0.52 0.00 0.00 54.79 51.87 3ksm n ASP 48 Cb 0.00 -0.49 0.68 0.00 -0.72 0.00 0.00 41.12 40.58 3ksm n ASP 48 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3ksm n SER 49 N -1.24 0.89 -3.93 1.67 7.64 -1.25 -4.78 113.62 112.61 3ksm n SER 49 Ca 0.18 -1.24 -0.16 0.00 1.01 0.00 0.00 58.87 58.66 3ksm n SER 49 Cb 0.68 -0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.73 3ksm n SER 49 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3ksm s ASN 50 N -2.05 0.56 0.41 6.43 0.01 -1.26 -4.80 114.94 114.24 3ksm s ASN 50 Ca 0.41 -0.08 0.14 0.00 -0.71 0.00 0.00 52.86 52.61 3ksm s ASN 50 Cb 0.21 -0.10 0.86 0.00 0.41 0.00 0.00 41.25 42.63 3ksm s ASN 50 CO 0.36 0.04 1.90 0.00 -1.51 0.00 0.00 177.10 177.89 3ksm h ALA 51 N 6.21 1.52 -0.77 0.60 0.00 -1.97 -2.94 119.26 121.91 3ksm h ALA 51 Ca -0.30 -0.26 0.21 0.00 0.00 0.00 0.00 54.91 54.57 3ksm h ALA 51 Cb 1.19 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 3ksm h ALA 51 CO 0.50 0.35 0.00 0.98 0.00 0.00 0.00 179.25 181.09 3ksm n TYR 52 N -4.19 0.48 0.12 0.00 9.36 -1.26 -1.09 117.16 120.57 3ksm n TYR 52 Ca -0.02 0.93 0.02 0.00 3.32 0.00 0.00 57.90 62.15 3ksm n TYR 52 Cb 0.33 -1.07 0.38 0.00 -0.63 0.00 0.00 39.34 38.35 3ksm n TYR 52 CO 0.00 0.00 0.00 -1.49 0.22 0.00 0.00 176.86 175.59 3ksm h TRP 53 N 0.00 0.25 -0.70 2.98 4.06 -1.87 -1.87 115.95 118.80 3ksm h TRP 53 Ca 0.46 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.38 3ksm h TRP 53 Cb 0.94 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 29.00 3ksm h TRP 53 CO -0.40 0.38 0.44 -0.09 -3.56 0.00 0.00 178.44 175.20 3ksm h ARG 54 N 0.23 0.93 -0.47 0.49 2.43 -1.31 -0.95 114.38 115.73 3ksm h ARG 54 Ca 0.05 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 3ksm h ARG 54 Cb 0.39 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3ksm h ARG 54 CO 0.02 0.64 -0.12 1.96 -1.51 0.00 0.00 179.97 180.96 3ksm h GLN 55 N 0.96 0.91 -0.35 0.20 1.08 -1.38 0.40 115.11 116.92 3ksm h GLN 55 Ca 0.25 -0.35 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 3ksm h GLN 55 Cb -0.07 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 3ksm h GLN 55 CO -0.05 1.00 0.21 0.28 -0.95 0.00 0.00 178.83 179.32 3ksm h VAL 56 N 0.75 1.12 -0.44 -0.54 2.07 -1.20 -1.95 116.25 116.06 3ksm h VAL 56 Ca 0.12 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3ksm h VAL 56 Cb 0.67 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3ksm h VAL 56 CO 0.05 0.11 0.28 0.22 0.02 0.00 0.00 177.57 178.25 3ksm h TYR 57 N 0.46 0.57 -0.93 1.57 3.20 -1.08 -1.41 116.97 119.34 3ksm h TYR 57 Ca 0.13 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3ksm h TYR 57 Cb 0.00 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.04 3ksm h TYR 57 CO -0.04 0.38 0.62 -0.07 -1.64 0.00 0.00 178.16 177.41 3ksm h LEU 58 N 0.59 1.07 -0.39 2.82 3.38 -0.60 0.12 115.31 122.30 3ksm h LEU 58 Ca 0.16 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3ksm h LEU 58 Cb -0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3ksm h LEU 58 CO -0.03 0.78 0.21 1.23 0.09 0.00 0.00 178.44 180.72 3ksm h GLY 59 N 1.27 0.58 1.00 0.83 0.00 -1.18 -0.96 103.07 104.60 3ksm h GLY 59 Ca 0.34 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 3ksm h GLY 59 CO -0.07 0.25 0.29 0.00 0.00 0.00 0.00 176.54 177.01 3ksm h ALA 60 N 1.07 0.82 -0.57 3.60 0.00 -0.57 -1.80 119.26 121.80 3ksm h ALA 60 Ca 0.14 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3ksm h ALA 60 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3ksm h ALA 60 CO -0.02 0.39 -0.07 0.37 0.00 0.00 0.00 179.25 179.92 3ksm h GLN 61 N 0.87 1.05 -0.16 0.00 5.75 -0.68 0.04 115.11 121.98 3ksm h GLN 61 Ca 0.22 -0.37 0.04 0.00 -0.15 0.00 0.00 58.65 58.38 3ksm h GLN 61 Cb 0.14 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 3ksm h GLN 61 CO -0.02 1.07 -0.08 -0.22 -2.65 0.00 0.00 178.83 176.92 3ksm h LYS 62 N 0.94 -0.06 -0.69 1.69 3.64 -0.94 -0.07 116.57 121.07 3ksm h LYS 62 Ca 0.15 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 3ksm h LYS 62 Cb 0.64 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 3ksm h LYS 62 CO 0.04 -0.04 0.28 0.00 -2.27 0.00 0.00 179.45 177.46 3ksm h ALA 63 N 1.07 0.90 -0.51 5.00 0.00 -1.05 -1.49 119.26 123.19 3ksm h ALA 63 Ca 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3ksm h ALA 63 Cb 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3ksm h ALA 63 CO -0.20 0.52 0.15 0.00 0.00 0.00 0.00 179.25 179.71 3ksm h ALA 64 N 1.13 0.67 -0.68 0.00 0.00 -0.79 -1.60 119.26 117.99 3ksm h ALA 64 Ca 0.23 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3ksm h ALA 64 Cb 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3ksm h ALA 64 CO -0.02 0.34 0.43 -0.44 0.00 0.00 0.00 179.25 179.56 3ksm h ASP 65 N 0.70 0.71 -0.48 0.00 3.32 -0.86 -0.63 116.42 119.18 3ksm h ASP 65 Ca 0.16 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3ksm h ASP 65 Cb 0.29 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3ksm h ASP 65 CO -0.00 0.50 0.09 -0.33 -1.72 0.00 0.00 179.24 177.77 3ksm h GLU 66 N 0.85 0.85 0.00 3.56 5.08 -1.10 -2.89 114.58 120.93 3ksm h GLU 66 Ca 0.27 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3ksm h GLU 66 Cb -0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3ksm h GLU 66 CO -0.10 0.80 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 3ksm h ALA 67 N 1.28 1.00 -1.91 3.43 0.00 -0.89 -3.47 119.26 118.70 3ksm h ALA 67 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 3ksm h ALA 67 Cb 0.36 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.17 3ksm h ALA 67 CO 0.01 0.00 -0.23 0.41 0.00 0.00 0.00 179.25 179.43 3ksm n GLY 68 N 1.20 0.18 3.51 0.00 0.00 -0.36 -5.05 105.19 104.67 3ksm n GLY 68 Ca 0.05 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 3ksm n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ksm s VAL 69 N -2.72 2.92 -0.06 1.61 -7.23 -0.51 -4.79 120.40 109.62 3ksm s VAL 69 Ca 0.10 -1.58 -0.30 0.00 -1.81 0.00 0.00 61.98 58.39 3ksm s VAL 69 Cb -0.04 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 3ksm s VAL 69 CO 0.12 0.02 1.00 -0.89 -0.31 0.00 0.00 175.10 175.04 3ksm s THR 70 N -1.36 4.81 -0.21 5.32 2.01 -0.93 -4.44 115.64 120.84 3ksm s THR 70 Ca 0.20 2.05 -0.04 0.00 0.31 0.00 0.00 61.69 64.21 3ksm s THR 70 Cb -0.10 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 3ksm s THR 70 CO 0.12 0.06 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.85 3ksm s LEU 71 N 1.63 2.94 -0.09 4.42 2.96 -1.26 -0.92 118.68 128.36 3ksm s LEU 71 Ca 0.50 -0.36 -0.11 0.00 -0.22 0.00 0.00 54.13 53.94 3ksm s LEU 71 Cb -0.19 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 3ksm s LEU 71 CO 0.22 -0.00 0.25 -0.76 -1.32 0.00 0.00 176.35 174.73 3ksm s LEU 72 N 1.37 4.38 -0.12 -0.68 1.02 0.64 -4.97 118.68 120.33 3ksm s LEU 72 Ca 0.04 0.61 0.01 0.00 0.02 0.00 0.00 54.13 54.82 3ksm s LEU 72 Cb -0.14 -2.28 0.02 0.00 0.02 0.00 0.00 46.19 43.80 3ksm s LEU 72 CO -0.02 0.32 -0.12 -2.28 0.02 0.00 0.00 176.35 174.27 3ksm s HIS 73 N -0.71 1.78 -0.19 0.29 2.46 -1.26 0.27 115.29 117.93 3ksm s HIS 73 Ca 0.17 -0.89 -0.04 0.00 0.47 0.00 0.00 55.06 54.77 3ksm s HIS 73 Cb -0.14 -1.35 0.08 0.00 -0.13 0.00 0.00 32.58 31.04 3ksm s HIS 73 CO 0.06 -0.52 0.15 1.03 -2.47 0.00 0.00 174.74 173.00 3ksm s ARG 74 N 1.34 0.13 0.15 2.88 1.81 -0.42 -4.98 118.95 119.86 3ksm s ARG 74 Ca -0.00 -0.01 0.05 0.00 -1.72 0.00 0.00 55.73 54.05 3ksm s ARG 74 Cb -0.14 -1.52 -0.04 0.00 -0.45 0.00 0.00 34.95 32.80 3ksm s ARG 74 CO -0.06 -0.70 -0.11 -1.12 -0.68 0.00 0.00 175.30 172.64 3ksm s SER 75 N 2.21 1.89 0.79 0.23 0.01 -1.26 -4.30 113.70 113.27 3ksm s SER 75 Ca 0.05 -1.00 -0.11 0.00 1.31 0.00 0.00 55.95 56.19 3ksm s SER 75 Cb -0.16 -0.03 0.07 0.00 0.21 0.00 0.00 66.02 66.12 3ksm s SER 75 CO -0.13 -0.31 1.10 0.42 0.41 0.00 0.00 173.24 174.74 3ksm s THR 76 N -3.23 3.06 0.13 1.44 -4.23 -1.26 -4.93 115.64 106.62 3ksm s THR 76 Ca 0.17 0.35 -0.19 0.00 -1.18 0.00 0.00 61.69 60.85 3ksm s THR 76 Cb 0.02 -2.75 -0.05 0.00 1.34 0.00 0.00 72.50 71.06 3ksm s THR 76 CO 0.01 -0.44 1.78 0.50 -0.54 0.00 0.00 174.62 175.93 3ksm h LYS 77 N -1.22 0.32 -6.00 3.99 3.64 -1.93 -2.96 116.57 112.41 3ksm h LYS 77 Ca -0.44 -0.02 -0.68 0.00 -1.27 0.00 0.00 60.65 58.25 3ksm h LYS 77 Cb 1.24 -0.07 -0.18 0.00 -0.41 0.00 0.00 32.23 32.81 3ksm h LYS 77 CO 0.49 0.21 -0.67 -0.51 -2.27 0.00 0.00 179.45 176.70 3ksm s ASP 78 N -5.41 4.81 0.38 4.20 1.01 -1.26 -0.80 116.67 119.60 3ksm s ASP 78 Ca -0.13 0.01 -0.28 0.00 0.71 0.00 0.00 52.55 52.86 3ksm s ASP 78 Cb 0.09 -1.32 -0.11 0.00 1.01 0.00 0.00 42.92 42.59 3ksm s ASP 78 CO 0.70 0.34 1.47 0.47 0.21 0.00 0.00 175.17 178.36 3ksm n ASP 79 N 2.35 3.67 0.00 0.27 9.92 -1.25 -2.87 116.55 128.64 3ksm n ASP 79 Ca -0.18 1.22 0.00 0.00 -0.53 0.00 0.00 54.79 55.30 3ksm n ASP 79 Cb 0.53 -1.61 0.00 0.00 -0.64 0.00 0.00 41.12 39.40 3ksm n ASP 79 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ksm n GLY 80 N 0.49 0.76 3.58 0.44 0.00 -1.25 -4.81 105.19 104.40 3ksm n GLY 80 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 3ksm n GLY 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ksm s ASP 81 N -2.98 6.22 0.07 1.61 -1.08 -1.14 -4.79 116.67 114.58 3ksm s ASP 81 Ca 0.00 -2.02 -0.24 0.00 -0.52 0.00 0.00 52.55 49.77 3ksm s ASP 81 Cb 0.00 -2.58 -0.16 0.00 -1.46 0.00 0.00 42.92 38.72 3ksm s ASP 81 CO 0.00 -1.81 1.65 0.40 0.52 0.00 0.00 175.17 175.93 3ksm h ILE 82 N 5.98 1.02 -0.55 4.11 2.04 -1.93 -1.69 117.51 126.49 3ksm h ILE 82 Ca 0.34 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 66.03 3ksm h ILE 82 Cb 0.91 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 3ksm h ILE 82 CO 1.38 0.05 0.34 0.00 0.00 0.00 0.00 178.15 179.92 3ksm h ALA 83 N 0.83 0.70 -0.85 1.87 0.00 -2.00 -1.44 119.26 118.37 3ksm h ALA 83 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ksm h ALA 83 Cb 0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3ksm h ALA 83 CO 0.01 0.07 0.50 0.78 0.00 0.00 0.00 179.25 180.61 3ksm h GLY 84 N 0.68 1.25 1.07 0.00 0.00 -1.93 -1.66 103.07 102.48 3ksm h GLY 84 Ca 0.21 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 3ksm h GLY 84 CO -0.08 0.51 -0.15 -1.61 0.00 0.00 0.00 176.54 175.21 3ksm h GLN 85 N 1.18 0.96 -0.81 4.80 4.15 -0.65 -2.02 115.11 122.73 3ksm h GLN 85 Ca 0.30 -0.38 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 3ksm h GLN 85 Cb -0.03 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.58 3ksm h GLN 85 CO -0.05 1.05 0.50 0.82 -1.93 0.00 0.00 178.83 179.22 3ksm h ILE 86 N 0.82 1.22 -0.45 2.39 2.04 -1.06 -1.81 117.51 120.66 3ksm h ILE 86 Ca 0.12 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 3ksm h ILE 86 Cb 0.72 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3ksm h ILE 86 CO 0.05 0.22 0.01 1.56 0.00 0.00 0.00 178.15 180.00 3ksm h GLN 87 N 1.10 0.79 -0.15 2.37 4.20 -0.96 -1.26 115.11 121.20 3ksm h GLN 87 Ca 0.29 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.76 3ksm h GLN 87 Cb -0.07 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3ksm h GLN 87 CO -0.06 0.85 0.07 0.82 -0.67 0.00 0.00 178.83 179.84 3ksm h ILE 88 N 0.64 0.99 -0.35 2.54 2.04 -1.08 -0.58 117.51 121.70 3ksm h ILE 88 Ca 0.13 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.95 3ksm h ILE 88 Cb 0.48 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3ksm h ILE 88 CO 0.02 0.03 0.22 -0.07 0.00 0.00 0.00 178.15 178.34 3ksm h LEU 89 N 0.15 0.36 -0.79 1.44 3.38 -1.11 -2.14 115.31 116.60 3ksm h LEU 89 Ca 0.06 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 3ksm h LEU 89 Cb 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3ksm h LEU 89 CO -0.05 0.26 -0.37 0.77 0.09 0.00 0.00 178.44 179.14 3ksm h SER 90 N 0.44 0.50 -0.29 -0.43 4.64 -1.14 -1.39 113.55 115.88 3ksm h SER 90 Ca 0.13 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 3ksm h SER 90 Cb -0.02 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3ksm h SER 90 CO -0.05 0.83 0.14 0.22 -0.87 0.00 0.00 176.83 177.10 3ksm h TYR 91 N 0.40 0.41 -0.05 4.77 3.20 -0.90 -1.85 116.97 122.93 3ksm h TYR 91 Ca 0.04 -0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.73 3ksm h TYR 91 Cb 0.84 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 3ksm h TYR 91 CO 0.03 0.36 -0.68 0.45 -1.64 0.00 0.00 178.16 176.68 3ksm h HIS 92 N 0.33 0.31 -0.28 -3.82 3.86 -1.31 0.43 115.15 114.67 3ksm h HIS 92 Ca 0.10 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3ksm h HIS 92 Cb 0.10 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 3ksm h HIS 92 CO -0.02 0.84 0.16 1.25 0.86 0.00 0.00 177.93 181.02 3ksm h LEU 93 N 0.16 0.27 -0.00 2.43 5.85 -1.13 -0.16 115.31 122.72 3ksm h LEU 93 Ca -0.02 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 3ksm h LEU 93 Cb 1.22 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 42.20 3ksm h LEU 93 CO 0.10 0.19 -0.42 0.77 -0.34 0.00 0.00 178.44 178.75 3ksm h SER 94 N 0.34 0.38 0.10 1.25 4.64 -1.13 -3.38 113.55 115.75 3ksm h SER 94 Ca 0.11 -0.76 -0.37 0.00 -0.47 0.00 0.00 61.79 60.30 3ksm h SER 94 Cb -0.00 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 61.93 3ksm h SER 94 CO -0.05 1.09 -2.18 0.00 -0.87 0.00 0.00 176.83 174.82 3ksm n GLN 95 N -4.36 0.70 -3.02 4.77 1.13 0.15 -4.74 117.38 112.01 3ksm n GLN 95 Ca -0.10 0.20 -0.16 0.00 -1.94 0.00 0.00 57.00 55.00 3ksm n GLN 95 Cb 0.59 -1.63 -0.03 0.00 0.11 0.00 0.00 30.24 29.28 3ksm n GLN 95 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ksm n ALA 96 N -3.04 0.57 -1.85 -1.58 0.00 -0.74 -5.03 120.51 108.83 3ksm n ALA 96 Ca -0.36 -2.30 -0.41 0.00 0.00 0.00 0.00 53.44 50.37 3ksm n ALA 96 Cb 1.03 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.37 3ksm n ALA 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ksm s PRO 97 N 0.01 4.39 0.72 0.00 0.04 -0.15 -4.71 135.00 135.31 3ksm s PRO 97 Ca 0.33 2.12 -0.06 0.00 0.04 0.00 0.00 61.00 63.44 3ksm s PRO 97 Cb 0.13 -3.13 0.09 0.00 0.04 0.00 0.00 34.50 31.63 3ksm s PRO 97 CO -0.16 -0.18 1.02 -1.25 0.04 0.00 0.00 177.00 176.47 3ksm s PRO 98 N -1.08 1.90 0.28 0.56 0.04 -1.26 -5.01 135.00 130.43 3ksm s PRO 98 Ca 0.52 -0.54 0.17 0.00 0.04 0.00 0.00 61.00 61.18 3ksm s PRO 98 Cb -0.38 -2.20 0.08 0.00 0.04 0.00 0.00 34.50 32.04 3ksm s PRO 98 CO 0.46 -1.38 1.39 -0.44 0.04 0.00 0.00 177.00 177.06 3ksm h ASP 99 N -0.64 0.00 -5.01 6.66 3.32 -0.90 -3.47 116.42 116.38 3ksm h ASP 99 Ca -0.42 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 3ksm h ASP 99 Cb 1.29 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.69 3ksm h ASP 99 CO 0.51 0.42 0.14 0.00 -1.72 0.00 0.00 179.24 178.59 3ksm s ALA 100 N -3.01 -1.52 -0.13 3.45 0.00 -1.19 -4.20 121.76 115.18 3ksm s ALA 100 Ca 0.04 0.68 -0.00 0.00 0.00 0.00 0.00 51.96 52.67 3ksm s ALA 100 Cb 0.07 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 3ksm s ALA 100 CO 0.74 -0.59 -0.13 -1.17 0.00 0.00 0.00 175.76 174.61 3ksm s LEU 101 N -2.17 2.74 -0.24 0.00 2.96 -0.63 -1.19 118.68 120.15 3ksm s LEU 101 Ca -0.03 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 3ksm s LEU 101 Cb -0.00 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 45.08 3ksm s LEU 101 CO -0.04 0.18 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.49 3ksm s ILE 102 N 0.29 3.11 -0.07 6.68 1.01 0.20 -0.64 121.20 131.77 3ksm s ILE 102 Ca -0.10 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.74 3ksm s ILE 102 Cb -0.16 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.79 3ksm s ILE 102 CO 0.05 0.25 -0.18 -0.22 0.00 0.00 0.00 174.94 174.85 3ksm s LEU 103 N 1.38 1.88 -0.57 2.97 2.96 -0.44 -0.97 118.68 125.89 3ksm s LEU 103 Ca 0.02 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.40 3ksm s LEU 103 Cb -0.16 -1.08 0.14 0.00 0.50 0.00 0.00 46.19 45.60 3ksm s LEU 103 CO -0.04 0.12 0.49 0.00 -1.32 0.00 0.00 176.35 175.60 3ksm s ALA 104 N 0.33 3.63 0.15 5.97 0.00 -0.36 -0.63 121.76 130.85 3ksm s ALA 104 Ca -0.12 -2.74 -0.30 0.00 0.00 0.00 0.00 51.96 48.80 3ksm s ALA 104 Cb -0.15 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 3ksm s ALA 104 CO 0.05 -2.03 1.26 -1.25 0.00 0.00 0.00 175.76 173.79 3ksm s PRO 105 N 1.12 4.42 0.53 0.00 0.04 -1.26 -3.74 135.00 136.10 3ksm s PRO 105 Ca 0.08 1.94 0.31 0.00 0.04 0.00 0.00 61.00 63.37 3ksm s PRO 105 Cb -0.24 -3.25 1.39 0.00 0.04 0.00 0.00 34.50 32.44 3ksm s PRO 105 CO -0.01 -0.23 2.01 -0.91 0.04 0.00 0.00 177.00 177.90 3ksm h ASN 106 N 5.87 0.00 -3.45 6.66 2.35 -1.92 -3.42 115.58 121.67 3ksm h ASN 106 Ca -0.44 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.01 3ksm h ASN 106 Cb 1.21 0.00 -0.35 0.00 0.05 0.00 0.00 38.32 39.23 3ksm h ASN 106 CO 0.79 0.09 -0.71 -0.55 -1.65 0.00 0.00 177.43 175.39 3ksm s SER 107 N -5.88 0.30 0.27 5.81 0.15 -1.26 -4.29 113.70 108.80 3ksm s SER 107 Ca -0.01 0.09 -0.04 0.00 0.70 0.00 0.00 55.95 56.70 3ksm s SER 107 Cb 0.11 -0.04 0.36 0.00 -1.71 0.00 0.00 66.02 64.73 3ksm s SER 107 CO 0.56 -0.16 1.93 0.00 1.20 0.00 0.00 173.24 176.77 3ksm h ALA 108 N 7.57 1.36 0.07 5.45 0.00 -1.34 -3.02 119.26 129.34 3ksm h ALA 108 Ca -0.37 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.14 3ksm h ALA 108 Cb 1.12 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3ksm h ALA 108 CO 0.39 0.58 -1.91 0.39 0.00 0.00 0.00 179.25 178.69 3ksm n GLU 109 N -4.41 0.68 0.17 0.00 -0.58 -1.26 0.38 120.64 115.62 3ksm n GLU 109 Ca 0.12 0.33 0.14 0.00 -0.42 0.00 0.00 57.16 57.32 3ksm n GLU 109 Cb 0.05 -1.68 0.51 0.00 -0.57 0.00 0.00 31.44 29.76 3ksm n GLU 109 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3ksm h ASP 110 N -0.31 0.00 0.58 1.62 3.32 -1.94 -2.50 116.42 117.20 3ksm h ASP 110 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3ksm h ASP 110 Cb 1.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.34 3ksm h ASP 110 CO -0.06 0.00 -0.36 0.18 -1.72 0.00 0.00 179.24 177.29 3ksm n LEU 111 N -2.54 0.42 -0.26 1.55 7.99 -1.14 -4.42 117.00 118.60 3ksm n LEU 111 Ca 0.02 0.09 -0.07 0.00 -0.01 0.00 0.00 56.01 56.05 3ksm n LEU 111 Cb 0.30 -0.29 0.05 0.00 -0.11 0.00 0.00 43.42 43.37 3ksm n LEU 111 CO 0.24 0.10 0.99 0.71 -1.51 0.00 0.00 177.39 177.93 3ksm h THR 112 N 0.10 1.26 -0.79 -5.08 1.35 -1.66 -1.77 112.91 106.31 3ksm h THR 112 Ca 0.00 -0.88 0.04 0.00 -0.55 0.00 0.00 66.41 65.02 3ksm h THR 112 Cb 0.49 0.45 -0.05 0.00 -1.73 0.00 0.00 68.15 67.32 3ksm h THR 112 CO 0.00 0.35 0.50 -0.65 -0.25 0.00 0.00 175.52 175.47 3ksm h PRO 113 N 1.07 0.93 -0.46 4.72 0.11 -1.79 0.89 132.00 137.47 3ksm h PRO 113 Ca 0.24 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.34 3ksm h PRO 113 Cb 0.29 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 31.14 3ksm h PRO 113 CO -0.01 0.61 0.20 0.77 -0.21 0.00 0.00 178.00 179.36 3ksm h SER 114 N 0.96 0.25 -0.19 -2.05 0.02 -1.68 -2.29 113.55 108.57 3ksm h SER 114 Ca 0.33 0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 61.18 3ksm h SER 114 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3ksm h SER 114 CO -0.13 0.18 -0.36 0.58 -1.14 0.00 0.00 176.83 175.96 3ksm h VAL 115 N 0.39 1.29 -0.18 2.27 2.07 -1.02 -2.84 116.25 118.23 3ksm h VAL 115 Ca 0.21 -1.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 3ksm h VAL 115 Cb 0.17 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3ksm h VAL 115 CO -0.19 0.49 0.02 0.00 0.02 0.00 0.00 177.57 177.91 3ksm h ALA 116 N 1.01 1.70 -0.74 1.67 0.00 -0.47 -0.89 119.26 121.55 3ksm h ALA 116 Ca 0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3ksm h ALA 116 Cb 0.88 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3ksm h ALA 116 CO 0.08 0.23 0.24 1.96 0.00 0.00 0.00 179.25 181.75 3ksm h GLN 117 N 0.25 1.14 -0.31 0.00 4.20 -1.18 0.23 115.11 119.44 3ksm h GLN 117 Ca 0.06 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.47 3ksm h GLN 117 Cb 0.15 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3ksm h GLN 117 CO 0.00 0.96 -0.04 1.88 -0.67 0.00 0.00 178.83 180.97 3ksm h TYR 118 N 1.09 0.63 -0.93 2.96 0.05 -1.26 -2.66 116.97 116.86 3ksm h TYR 118 Ca 0.24 -0.12 0.03 0.00 0.05 0.00 0.00 58.73 58.92 3ksm h TYR 118 Cb 0.30 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 3ksm h TYR 118 CO 0.02 0.73 0.61 -0.09 -1.05 0.00 0.00 178.16 178.39 3ksm h ARG 119 N 0.35 1.17 0.00 4.88 9.65 -0.86 -1.17 114.38 128.41 3ksm h ARG 119 Ca 0.08 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3ksm h ARG 119 Cb 0.50 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 3ksm h ARG 119 CO 0.02 0.78 0.00 0.00 2.80 0.00 0.00 179.97 183.57 3ksm h ALA 120 N 1.44 1.00 -0.41 2.80 0.00 -0.87 -1.10 119.26 122.11 3ksm h ALA 120 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3ksm h ALA 120 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ksm h ALA 120 CO -0.10 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.69 3ksm n ARG 121 N -2.88 2.28 -3.07 0.00 5.12 -0.62 -4.97 116.66 112.52 3ksm n ARG 121 Ca 0.02 -1.95 -0.23 0.00 -1.93 0.00 0.00 57.85 53.76 3ksm n ARG 121 Cb 0.32 -1.46 0.04 0.00 -1.16 0.00 0.00 32.46 30.19 3ksm n ARG 121 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3ksm n ASN 122 N 1.13 -6.09 -4.52 0.55 3.02 -0.42 -5.00 115.26 103.93 3ksm n ASN 122 Ca 0.19 -0.31 -0.40 0.00 -0.03 0.00 0.00 54.58 54.03 3ksm n ASN 122 Cb 0.50 -4.92 -0.11 0.00 -0.61 0.00 0.00 39.78 34.65 3ksm n ASN 122 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ksm s ILE 123 N -3.18 5.19 0.58 2.41 1.01 -0.54 -5.02 121.20 121.64 3ksm s ILE 123 Ca 0.32 -0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.51 3ksm s ILE 123 Cb -0.14 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 3ksm s ILE 123 CO 0.40 -0.01 1.34 -2.84 0.00 0.00 0.00 174.94 173.83 3ksm s PRO 124 N 1.71 2.95 -0.11 2.79 0.02 -1.26 -4.09 135.00 137.00 3ksm s PRO 124 Ca 0.06 2.18 0.01 0.00 0.02 0.00 0.00 61.00 63.27 3ksm s PRO 124 Cb -0.17 -2.12 0.02 0.00 0.02 0.00 0.00 34.50 32.25 3ksm s PRO 124 CO 0.10 -1.33 -0.12 0.08 -0.33 0.00 0.00 177.00 175.40 3ksm s VAL 125 N -1.33 1.31 -0.21 3.83 1.01 -1.26 -1.61 120.40 122.13 3ksm s VAL 125 Ca 0.75 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 3ksm s VAL 125 Cb -0.39 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 3ksm s VAL 125 CO 0.45 0.41 0.01 -0.22 0.00 0.00 0.00 175.10 175.75 3ksm s LEU 126 N 1.32 3.29 -0.03 3.92 1.98 0.18 -0.50 118.68 128.83 3ksm s LEU 126 Ca -0.01 -0.21 -0.18 0.00 -2.89 0.00 0.00 54.13 50.84 3ksm s LEU 126 Cb -0.14 -1.84 -0.05 0.00 0.66 0.00 0.00 46.19 44.82 3ksm s LEU 126 CO -0.05 0.04 0.51 -0.69 -1.89 0.00 0.00 176.35 174.27 3ksm s VAL 127 N 1.14 5.01 0.07 1.68 1.01 -0.06 -1.33 120.40 127.93 3ksm s VAL 127 Ca 0.03 1.06 0.09 0.00 0.00 0.00 0.00 61.98 63.16 3ksm s VAL 127 Cb -0.14 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3ksm s VAL 127 CO 0.02 0.43 -0.25 0.54 0.00 0.00 0.00 175.10 175.84 3ksm s VAL 128 N -0.19 2.25 0.00 2.92 0.11 0.20 -0.84 120.40 124.86 3ksm s VAL 128 Ca 0.28 -1.45 0.00 0.00 -2.93 0.00 0.00 61.98 57.87 3ksm s VAL 128 Cb -0.17 -1.92 0.00 0.00 -1.53 0.00 0.00 36.38 32.76 3ksm s VAL 128 CO 0.14 0.30 0.00 -0.67 -3.33 0.00 0.00 175.10 171.54 3ksm n ASP 129 N 1.53 0.00 -3.70 3.54 2.03 -0.28 -4.05 116.55 115.63 3ksm n ASP 129 Ca -0.17 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.02 3ksm n ASP 129 Cb 0.52 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.80 3ksm n ASP 129 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3ksm s SER 130 N 0.00 -0.09 0.77 1.67 0.15 -1.26 -4.60 113.70 110.34 3ksm s SER 130 Ca 0.00 0.63 -0.12 0.00 0.70 0.00 0.00 55.95 57.15 3ksm s SER 130 Cb 0.00 0.61 0.06 0.00 -1.71 0.00 0.00 66.02 64.98 3ksm s SER 130 CO 0.00 -0.20 1.13 -0.62 1.20 0.00 0.00 173.24 174.75 3ksm s ASP 131 N 1.76 4.26 -0.06 5.45 2.15 -1.26 -4.28 116.67 124.69 3ksm s ASP 131 Ca -0.05 2.04 0.02 0.00 0.43 0.00 0.00 52.55 54.99 3ksm s ASP 131 Cb -0.11 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.94 3ksm s ASP 131 CO -0.09 -2.20 -0.12 -0.22 -0.17 0.00 0.00 175.17 172.36 3ksm s LEU 132 N -5.66 2.86 0.78 -1.34 2.96 -1.26 -4.36 118.68 112.67 3ksm s LEU 132 Ca 0.66 -0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 54.31 3ksm s LEU 132 Cb -0.21 -1.60 0.07 0.00 0.50 0.00 0.00 46.19 44.94 3ksm s LEU 132 CO 0.51 0.34 1.11 0.00 -1.32 0.00 0.00 176.35 176.98 3ksm s ALA 133 N -0.67 2.13 0.00 5.97 0.00 0.16 -4.88 121.76 124.47 3ksm s ALA 133 Ca 0.10 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.45 3ksm s ALA 133 Cb -0.11 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3ksm s ALA 133 CO 0.01 -1.91 0.00 0.41 0.00 0.00 0.00 175.76 174.28 3ksm n GLY 134 N -0.80 -1.84 1.68 0.00 0.00 -1.26 -4.68 105.19 98.29 3ksm n GLY 134 Ca 0.10 -1.38 0.03 0.00 0.00 0.00 0.00 46.02 44.77 3ksm n GLY 134 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ksm n ASP 135 N 0.56 1.21 0.14 1.61 5.68 -1.26 -4.81 116.55 119.67 3ksm n ASP 135 Ca 0.00 -2.16 0.01 0.00 -0.50 0.00 0.00 54.79 52.14 3ksm n ASP 135 Cb 0.00 -0.35 0.17 0.00 -1.14 0.00 0.00 41.12 39.80 3ksm n ASP 135 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ksm h ALA 136 N 1.30 0.87 -2.19 2.12 0.00 -1.96 -3.46 119.26 115.94 3ksm h ALA 136 Ca -0.19 -0.53 -0.47 0.00 0.00 0.00 0.00 54.91 53.72 3ksm h ALA 136 Cb 1.73 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 19.46 3ksm h ALA 136 CO 0.12 0.73 0.03 -3.38 0.00 0.00 0.00 179.25 176.75 3ksm s HIS 137 N -3.42 3.29 -0.71 0.00 -3.43 -1.26 -4.82 115.29 104.94 3ksm s HIS 137 Ca -0.00 0.48 0.22 0.00 -0.80 0.00 0.00 55.06 54.95 3ksm s HIS 137 Cb 0.11 -2.46 -0.17 0.00 -1.43 0.00 0.00 32.58 28.63 3ksm s HIS 137 CO 0.74 -0.51 0.85 1.04 -2.00 0.00 0.00 174.74 174.86 3ksm n GLN 138 N -2.29 0.20 0.00 -0.38 3.00 0.35 -5.00 117.38 113.26 3ksm n GLN 138 Ca 0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3ksm n GLN 138 Cb 0.57 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 29.29 3ksm n GLN 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ksm n GLY 139 N 1.42 0.55 3.07 1.08 0.00 -1.24 -4.72 105.19 105.34 3ksm n GLY 139 Ca 0.02 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 3ksm n GLY 139 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ksm s LEU 140 N 0.00 1.84 -0.20 0.99 2.96 0.36 -0.88 118.68 123.74 3ksm s LEU 140 Ca 0.00 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3ksm s LEU 140 Cb 0.00 -0.78 0.06 0.00 0.50 0.00 0.00 46.19 45.97 3ksm s LEU 140 CO 0.00 0.11 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.43 3ksm s VAL 141 N 0.15 1.05 0.13 1.68 1.01 -0.02 -0.79 120.40 123.62 3ksm s VAL 141 Ca -0.04 -0.84 -0.26 0.00 0.00 0.00 0.00 61.98 60.84 3ksm s VAL 141 Cb -0.11 -1.39 0.07 0.00 0.00 0.00 0.00 36.38 34.95 3ksm s VAL 141 CO 0.01 -0.10 0.97 0.00 0.00 0.00 0.00 175.10 175.99 3ksm s ALA 142 N 1.62 -1.70 0.63 5.51 0.00 -0.77 -1.12 121.76 125.93 3ksm s ALA 142 Ca -0.03 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 51.99 3ksm s ALA 142 Cb -0.17 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 3ksm s ALA 142 CO -0.07 -1.01 1.22 0.99 0.00 0.00 0.00 175.76 176.89 3ksm s THR 143 N -3.22 2.47 -0.95 0.00 2.01 -1.26 -0.97 115.64 113.71 3ksm s THR 143 Ca 0.12 0.28 -0.24 0.00 0.31 0.00 0.00 61.69 62.16 3ksm s THR 143 Cb -0.01 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.47 3ksm s THR 143 CO 0.01 -0.08 1.58 -0.62 -0.69 0.00 0.00 174.62 174.82 3ksm s ASP 144 N -1.66 6.08 0.30 3.53 -1.08 -1.26 -4.86 116.67 117.72 3ksm s ASP 144 Ca 0.78 -1.11 0.06 0.00 -0.52 0.00 0.00 52.55 51.76 3ksm s ASP 144 Cb -0.31 -2.57 0.47 0.00 -1.46 0.00 0.00 42.92 39.06 3ksm s ASP 144 CO 0.37 -1.89 1.72 0.78 0.52 0.00 0.00 175.17 176.67 3ksm h ASN 145 N 10.38 0.28 -0.00 -0.34 2.35 -1.92 -0.58 115.58 125.75 3ksm h ASN 145 Ca 0.12 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3ksm h ASN 145 Cb 1.02 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.31 3ksm h ASN 145 CO 1.35 0.63 0.00 0.22 -1.65 0.00 0.00 177.43 177.99 3ksm h TYR 146 N 0.23 0.00 -0.85 1.19 3.20 -1.87 -1.75 116.97 117.12 3ksm h TYR 146 Ca 0.02 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.91 3ksm h TYR 146 Cb 0.77 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.99 3ksm h TYR 146 CO 0.01 0.04 0.56 0.00 -1.64 0.00 0.00 178.16 177.13 3ksm h ALA 147 N 0.97 1.41 -0.83 1.82 0.00 -1.79 -2.23 119.26 118.61 3ksm h ALA 147 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ksm h ALA 147 Cb 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3ksm h ALA 147 CO -0.00 0.53 0.49 0.00 0.00 0.00 0.00 179.25 180.27 3ksm h ALA 148 N 1.48 1.30 -0.42 0.00 0.00 -0.87 -0.31 119.26 120.44 3ksm h ALA 148 Ca 0.32 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3ksm h ALA 148 Cb -0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 3ksm h ALA 148 CO -0.07 0.59 -0.10 0.78 0.00 0.00 0.00 179.25 180.45 3ksm h GLY 149 N 1.16 0.88 0.98 0.00 0.00 -0.88 -0.82 103.07 104.39 3ksm h GLY 149 Ca 0.30 -0.72 0.01 0.00 0.00 0.00 0.00 47.33 46.91 3ksm h GLY 149 CO -0.05 0.66 0.36 1.46 0.00 0.00 0.00 176.54 178.96 3ksm h GLN 150 N 0.63 0.70 -0.46 4.80 1.08 -1.12 -1.73 115.11 119.01 3ksm h GLN 150 Ca 0.11 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.32 3ksm h GLN 150 Cb 0.63 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.85 3ksm h GLN 150 CO 0.04 0.47 0.17 1.25 -0.95 0.00 0.00 178.83 179.81 3ksm h LEU 151 N 0.73 0.19 -1.08 1.46 5.85 -0.98 -1.14 115.31 120.34 3ksm h LEU 151 Ca 0.20 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.99 3ksm h LEU 151 Cb -0.06 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3ksm h LEU 151 CO -0.05 0.14 0.62 0.00 -0.34 0.00 0.00 178.44 178.81 3ksm h ALA 152 N 1.29 1.36 -0.28 1.25 0.00 -0.68 -0.44 119.26 121.76 3ksm h ALA 152 Ca 0.21 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ksm h ALA 152 Cb 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3ksm h ALA 152 CO -0.21 0.58 -0.04 0.00 0.00 0.00 0.00 179.25 179.58 3ksm h ALA 153 N 1.43 0.39 -0.59 0.00 0.00 -0.83 -0.13 119.26 119.53 3ksm h ALA 153 Ca 0.35 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3ksm h ALA 153 Cb -0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3ksm h ALA 153 CO -0.09 0.17 0.33 0.00 0.00 0.00 0.00 179.25 179.66 3ksm h ARG 154 N 0.30 0.63 -0.62 0.00 3.08 -0.91 0.45 114.38 117.31 3ksm h ARG 154 Ca 0.08 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3ksm h ARG 154 Cb 0.49 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 3ksm h ARG 154 CO 0.02 0.41 0.40 0.00 -1.07 0.00 0.00 179.97 179.73 3ksm h ALA 155 N 1.29 0.78 -0.32 0.04 0.00 -0.98 -2.19 119.26 117.88 3ksm h ALA 155 Ca 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3ksm h ALA 155 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3ksm h ALA 155 CO -0.14 0.23 0.15 1.25 0.00 0.00 0.00 179.25 180.74 3ksm h LEU 156 N 0.83 0.42 -1.04 0.00 5.85 -0.58 -2.71 115.31 118.09 3ksm h LEU 156 Ca 0.22 -0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.93 3ksm h LEU 156 Cb -0.07 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 3ksm h LEU 156 CO -0.05 0.44 0.63 -0.07 -0.34 0.00 0.00 178.44 179.05 3ksm h LEU 157 N 0.37 0.92 -1.78 2.25 3.38 -0.76 0.28 115.31 119.98 3ksm h LEU 157 Ca 0.11 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3ksm h LEU 157 Cb 0.13 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3ksm h LEU 157 CO -0.01 0.50 -0.07 0.00 0.09 0.00 0.00 178.44 178.95 3ksm h ALA 158 N 1.54 1.07 0.00 1.53 0.00 -1.09 -2.67 119.26 119.63 3ksm h ALA 158 Ca 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3ksm h ALA 158 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ksm h ALA 158 CO -0.25 0.08 -0.43 1.79 0.00 0.00 0.00 179.25 180.44 3ksm h THR 159 N 0.00 0.00 -3.45 0.00 1.35 -0.67 -3.48 112.91 106.67 3ksm h THR 159 Ca -0.00 -0.88 -0.54 0.00 -0.55 0.00 0.00 66.41 64.44 3ksm h THR 159 Cb 0.42 1.65 -0.03 0.00 -1.73 0.00 0.00 68.15 68.46 3ksm h THR 159 CO 0.01 0.00 -0.09 -0.76 -0.25 0.00 0.00 175.52 174.43 3ksm s LEU 160 N -5.49 4.18 -0.80 3.87 1.43 -1.01 -4.86 118.68 116.01 3ksm s LEU 160 Ca 0.05 0.98 -0.26 0.00 -1.03 0.00 0.00 54.13 53.87 3ksm s LEU 160 Cb 0.08 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.67 3ksm s LEU 160 CO 0.71 -0.06 1.43 -0.62 0.23 0.00 0.00 176.35 178.05 3ksm s ASP 161 N -2.25 6.06 -0.05 2.29 -1.08 -1.26 -4.89 116.67 115.48 3ksm s ASP 161 Ca 0.47 -0.59 0.03 0.00 -0.52 0.00 0.00 52.55 51.94 3ksm s ASP 161 Cb -0.12 -2.56 0.18 0.00 -1.46 0.00 0.00 42.92 38.96 3ksm s ASP 161 CO 0.20 -1.89 0.79 0.18 0.52 0.00 0.00 175.17 174.98 3ksm n LEU 162 N 9.98 2.12 0.12 -1.34 4.77 -1.26 -3.39 117.00 128.00 3ksm n LEU 162 Ca 0.14 -1.07 0.12 0.00 -0.03 0.00 0.00 56.01 55.17 3ksm n LEU 162 Cb 0.50 -0.54 0.07 0.00 -2.33 0.00 0.00 43.42 41.11 3ksm n LEU 162 CO 0.69 0.35 0.24 0.77 -1.33 0.00 0.00 177.39 178.11 3ksm h SER 163 N 0.84 0.00 -2.30 -1.43 4.64 -1.98 -3.47 113.55 109.85 3ksm h SER 163 Ca 0.01 -0.04 -0.59 0.00 -0.47 0.00 0.00 61.79 60.70 3ksm h SER 163 Cb 0.85 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.80 3ksm h SER 163 CO 0.11 0.02 -0.74 -0.54 -0.87 0.00 0.00 176.83 174.82 3ksm s LYS 164 N -3.30 1.66 0.36 4.77 1.02 -1.22 -5.12 119.74 117.92 3ksm s LYS 164 Ca 0.02 -1.79 -0.28 0.00 0.02 0.00 0.00 55.97 53.95 3ksm s LYS 164 Cb 0.09 -1.66 -0.10 0.00 -0.52 0.00 0.00 37.83 35.65 3ksm s LYS 164 CO 0.75 0.26 1.33 -2.00 -0.92 0.00 0.00 175.35 174.77 3ksm s GLU 165 N -3.56 4.20 -0.08 1.68 2.12 -1.26 -4.89 118.70 116.91 3ksm s GLU 165 Ca 0.30 2.25 0.02 0.00 0.36 0.00 0.00 54.97 57.90 3ksm s GLU 165 Cb -0.03 -2.96 0.01 0.00 0.26 0.00 0.00 34.13 31.41 3ksm s GLU 165 CO 0.14 -0.33 -0.15 1.03 -0.54 0.00 0.00 175.26 175.42 3ksm s ARG 166 N -1.97 2.06 -0.20 4.30 1.81 0.43 -5.01 118.95 120.37 3ksm s ARG 166 Ca 0.52 -0.53 -0.17 0.00 -1.72 0.00 0.00 55.73 53.83 3ksm s ARG 166 Cb -0.40 -1.68 -0.03 0.00 -0.45 0.00 0.00 34.95 32.38 3ksm s ARG 166 CO 0.53 0.03 0.47 -0.80 -0.68 0.00 0.00 175.30 174.85 3ksm s ASN 167 N 0.71 6.52 -0.09 0.23 0.01 -1.26 -1.56 114.94 119.49 3ksm s ASN 167 Ca -0.13 0.62 0.01 0.00 -0.71 0.00 0.00 52.86 52.65 3ksm s ASN 167 Cb -0.16 -2.27 -0.02 0.00 0.41 0.00 0.00 41.25 39.21 3ksm s ASN 167 CO 0.03 -0.14 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.74 3ksm s ILE 168 N 1.51 3.31 0.01 0.60 -1.09 0.18 -0.09 121.20 125.62 3ksm s ILE 168 Ca 0.22 -0.60 0.04 0.00 -2.23 0.00 0.00 60.65 58.08 3ksm s ILE 168 Cb -0.15 -2.36 -0.03 0.00 -1.58 0.00 0.00 42.46 38.34 3ksm s ILE 168 CO 0.09 0.56 -0.11 0.00 -1.23 0.00 0.00 174.94 174.25 3ksm s ALA 169 N -0.26 2.86 -0.13 9.38 0.00 0.03 -0.72 121.76 132.92 3ksm s ALA 169 Ca 0.02 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.94 3ksm s ALA 169 Cb -0.13 -1.00 0.01 0.00 0.00 0.00 0.00 23.12 22.00 3ksm s ALA 169 CO 0.03 0.60 -0.21 -1.17 0.00 0.00 0.00 175.76 175.01 3ksm s LEU 170 N -1.37 2.02 -0.70 0.00 2.96 0.14 -2.08 118.68 119.64 3ksm s LEU 170 Ca 0.16 -0.55 -0.16 0.00 -0.22 0.00 0.00 54.13 53.35 3ksm s LEU 170 Cb -0.11 -1.35 0.16 0.00 0.50 0.00 0.00 46.19 45.39 3ksm s LEU 170 CO 0.06 0.08 0.71 -0.22 -1.32 0.00 0.00 176.35 175.66 3ksm s LEU 171 N 0.77 6.14 0.75 -0.68 2.96 -0.89 -3.34 118.68 124.40 3ksm s LEU 171 Ca -0.09 -2.10 -0.11 0.00 -0.22 0.00 0.00 54.13 51.61 3ksm s LEU 171 Cb -0.16 -2.25 0.04 0.00 0.50 0.00 0.00 46.19 44.33 3ksm s LEU 171 CO -0.00 -0.82 1.09 -0.13 -1.32 0.00 0.00 176.35 175.17 3ksm s ARG 172 N 1.36 2.41 0.00 1.98 0.52 -0.04 -4.18 118.95 121.00 3ksm s ARG 172 Ca 0.13 1.18 0.00 0.00 -0.52 0.00 0.00 55.73 56.53 3ksm s ARG 172 Cb -0.19 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.37 3ksm s ARG 172 CO -0.02 -1.53 0.00 -0.11 0.02 0.00 0.00 175.30 173.66 3ksm n LEU 173 N -3.31 0.55 -3.56 2.53 0.00 -1.26 -0.72 117.00 111.23 3ksm n LEU 173 Ca 0.09 0.10 -0.01 0.00 0.00 0.00 0.00 56.01 56.19 3ksm n LEU 173 Cb 0.53 -0.26 -0.05 0.00 0.00 0.00 0.00 43.42 43.65 3ksm n LEU 173 CO 0.53 -0.26 0.45 -0.60 0.00 0.00 0.00 177.39 177.51 3ksm s ARG 174 N -0.51 0.47 0.23 1.96 3.52 -1.26 -1.10 118.95 122.26 3ksm s ARG 174 Ca 0.00 1.07 -0.31 0.00 -0.13 0.00 0.00 55.73 56.35 3ksm s ARG 174 Cb 0.00 0.52 -0.12 0.00 -1.56 0.00 0.00 34.95 33.79 3ksm s ARG 174 CO 0.00 -0.14 1.68 0.00 -0.81 0.00 0.00 175.30 176.03 3ksm s ALA 175 N 2.36 3.88 0.00 6.12 0.00 -1.26 -1.71 121.76 131.15 3ksm s ALA 175 Ca -0.06 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.49 3ksm s ALA 175 Cb -0.08 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3ksm s ALA 175 CO -0.18 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.05 3ksm n GLY 176 N 3.42 0.05 3.49 0.00 0.00 -1.26 -5.03 105.19 105.86 3ksm n GLY 176 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3ksm n GLY 176 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ksm s ASN 177 N -2.06 6.21 0.18 1.61 2.47 -0.70 -1.17 114.94 121.47 3ksm s ASN 177 Ca 0.00 -0.75 -0.14 0.00 0.42 0.00 0.00 52.86 52.40 3ksm s ASN 177 Cb 0.00 -2.45 0.07 0.00 -1.45 0.00 0.00 41.25 37.42 3ksm s ASN 177 CO 0.00 -1.47 1.83 0.00 -3.72 0.00 0.00 177.10 173.74 3ksm h ALA 178 N 9.60 0.70 -0.01 1.71 0.00 -1.86 -0.86 119.26 128.54 3ksm h ALA 178 Ca -0.28 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.60 3ksm h ALA 178 Cb 1.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3ksm h ALA 178 CO 1.18 0.16 -0.12 0.66 0.00 0.00 0.00 179.25 181.14 3ksm h SER 179 N 0.75 -0.34 0.67 0.00 4.64 -1.89 -1.08 113.55 116.30 3ksm h SER 179 Ca 0.20 0.05 -0.17 0.00 -0.47 0.00 0.00 61.79 61.40 3ksm h SER 179 Cb -0.05 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3ksm h SER 179 CO -0.04 -0.17 -0.80 0.71 -0.87 0.00 0.00 176.83 175.66 3ksm h THR 180 N -0.20 1.52 -0.95 2.95 1.35 -1.86 -1.83 112.91 113.90 3ksm h THR 180 Ca 0.05 -2.59 0.02 0.00 -0.55 0.00 0.00 66.41 63.33 3ksm h THR 180 Cb 0.26 2.42 -0.05 0.00 -1.73 0.00 0.00 68.15 69.04 3ksm h THR 180 CO -0.12 0.75 0.63 0.44 -0.25 0.00 0.00 175.52 176.96 3ksm h ASP 181 N 0.05 1.07 -0.11 5.36 3.32 -0.92 -0.37 116.42 124.83 3ksm h ASP 181 Ca -0.02 -0.02 -0.24 0.00 0.02 0.00 0.00 57.03 56.77 3ksm h ASP 181 Cb 1.40 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 40.71 3ksm h ASP 181 CO 0.11 0.76 -0.86 1.56 -1.72 0.00 0.00 179.24 179.09 3ksm h GLN 182 N 1.25 0.78 -0.50 3.56 4.20 -1.07 -1.10 115.11 122.23 3ksm h GLN 182 Ca 0.36 -0.69 0.04 0.00 0.06 0.00 0.00 58.65 58.43 3ksm h GLN 182 Cb -0.09 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 3ksm h GLN 182 CO -0.09 1.28 0.25 0.00 -0.67 0.00 0.00 178.83 179.60 3ksm h ARG 183 N 0.51 0.48 -0.21 1.46 3.08 -1.12 0.10 114.38 118.68 3ksm h ARG 183 Ca -0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3ksm h ARG 183 Cb 1.50 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.43 3ksm h ARG 183 CO 0.17 0.32 0.10 0.93 -1.07 0.00 0.00 179.97 180.42 3ksm h GLU 184 N 0.49 0.30 -0.59 0.04 5.08 -0.99 -1.52 114.58 117.40 3ksm h GLU 184 Ca 0.22 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3ksm h GLU 184 Cb 0.13 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3ksm h GLU 184 CO -0.16 0.33 0.12 0.37 -1.00 0.00 0.00 179.01 178.67 3ksm h GLN 185 N 0.20 0.95 -0.90 2.33 5.75 -1.03 -1.36 115.11 121.06 3ksm h GLN 185 Ca 0.07 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.33 3ksm h GLN 185 Cb 0.13 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 3ksm h GLN 185 CO -0.01 0.89 0.58 0.78 -2.65 0.00 0.00 178.83 178.43 3ksm h GLY 186 N 0.86 1.27 0.87 2.39 0.00 -0.81 0.56 103.07 108.21 3ksm h GLY 186 Ca 0.18 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3ksm h GLY 186 CO 0.01 0.48 -0.04 -2.75 0.00 0.00 0.00 176.54 174.24 3ksm h PHE 187 N 1.22 -0.09 -0.39 5.60 3.57 -1.10 -2.90 116.94 122.86 3ksm h PHE 187 Ca 0.33 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.76 3ksm h PHE 187 Cb -0.12 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3ksm h PHE 187 CO -0.01 0.07 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.02 3ksm h LEU 188 N -0.23 0.62 -1.78 0.59 3.38 -1.02 -2.75 115.31 114.12 3ksm h LEU 188 Ca -0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3ksm h LEU 188 Cb 0.20 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3ksm h LEU 188 CO 0.02 0.72 -0.12 0.44 0.09 0.00 0.00 178.44 179.58 3ksm h ASP 189 N 0.60 0.00 0.15 -0.43 3.32 -0.81 0.11 116.42 119.36 3ksm h ASP 189 Ca 0.12 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.92 3ksm h ASP 189 Cb 0.45 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.01 3ksm h ASP 189 CO 0.02 0.12 -1.00 0.58 -1.72 0.00 0.00 179.24 177.25 3ksm h VAL 190 N 0.00 1.33 0.00 -1.35 2.07 -1.29 -3.40 116.25 113.61 3ksm h VAL 190 Ca -0.00 -2.33 -0.12 0.00 0.82 0.00 0.00 66.70 65.07 3ksm h VAL 190 Cb 0.22 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 3ksm h VAL 190 CO 0.02 0.71 -1.82 0.18 0.02 0.00 0.00 177.57 176.68 3ksm n LEU 191 N -3.81 0.31 -0.23 2.57 4.77 -0.85 -4.48 117.00 115.28 3ksm n LEU 191 Ca -0.09 0.13 0.09 0.00 -0.03 0.00 0.00 56.01 56.11 3ksm n LEU 191 Cb 0.86 0.12 0.36 0.00 -2.33 0.00 0.00 43.42 42.43 3ksm n LEU 191 CO 0.54 0.12 1.22 0.03 -1.33 0.00 0.00 177.39 177.97 3ksm h ARG 192 N 0.00 0.71 -0.35 3.23 3.08 -1.01 -1.76 114.38 118.28 3ksm h ARG 192 Ca -0.16 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3ksm h ARG 192 Cb 1.41 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3ksm h ARG 192 CO 0.02 0.47 0.00 1.63 -1.07 0.00 0.00 179.97 181.02 3ksm n LYS 193 N -4.52 2.91 -2.39 0.04 5.02 -1.26 -5.00 118.16 112.96 3ksm n LYS 193 Ca 0.14 -2.25 -0.42 0.00 -2.02 0.00 0.00 58.31 53.77 3ksm n LYS 193 Cb 0.35 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 3ksm n LYS 193 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3ksm s HIS 194 N -1.36 3.42 0.31 2.13 2.46 -0.66 -4.94 115.29 116.64 3ksm s HIS 194 Ca 0.28 1.26 -0.28 0.00 0.47 0.00 0.00 55.06 56.79 3ksm s HIS 194 Cb 0.17 -3.45 -0.13 0.00 -0.13 0.00 0.00 32.58 29.04 3ksm s HIS 194 CO 0.15 -1.40 1.22 -3.47 -2.47 0.00 0.00 174.74 168.77 3ksm n ASP 195 N 3.94 2.30 -0.65 9.88 2.03 -1.26 -2.48 116.55 130.30 3ksm n ASP 195 Ca 0.09 1.19 -0.08 0.00 0.52 0.00 0.00 54.79 56.51 3ksm n ASP 195 Cb 0.46 -1.41 -0.04 0.00 -0.72 0.00 0.00 41.12 39.41 3ksm n ASP 195 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3ksm n LYS 196 N 0.81 -0.88 -5.03 -0.67 5.02 -1.26 -5.00 118.16 111.14 3ksm n LYS 196 Ca 0.07 0.74 -0.29 0.00 -2.02 0.00 0.00 58.31 56.81 3ksm n LYS 196 Cb 0.34 -4.69 -0.17 0.00 -0.02 0.00 0.00 35.03 30.50 3ksm n LYS 196 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ksm s ILE 197 N -2.17 1.76 -0.07 -0.18 -1.09 -1.04 -0.43 121.20 117.98 3ksm s ILE 197 Ca 0.00 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.57 3ksm s ILE 197 Cb 0.00 -1.52 0.02 0.00 -1.58 0.00 0.00 42.46 39.38 3ksm s ILE 197 CO 0.00 0.49 -0.09 -0.60 -1.23 0.00 0.00 174.94 173.51 3ksm s ARG 198 N 0.22 1.45 -0.47 2.79 3.52 -0.60 -4.80 118.95 121.07 3ksm s ARG 198 Ca -0.11 -0.30 -0.24 0.00 -0.13 0.00 0.00 55.73 54.95 3ksm s ARG 198 Cb -0.15 -1.31 0.03 0.00 -1.56 0.00 0.00 34.95 31.95 3ksm s ARG 198 CO 0.05 -0.07 0.83 0.42 -0.81 0.00 0.00 175.30 175.73 3ksm s ILE 199 N 0.97 4.58 -0.79 4.11 -1.09 -1.26 0.47 121.20 128.20 3ksm s ILE 199 Ca -0.09 0.46 0.18 0.00 -2.23 0.00 0.00 60.65 58.97 3ksm s ILE 199 Cb -0.15 -4.37 -0.21 0.00 -1.58 0.00 0.00 42.46 36.15 3ksm s ILE 199 CO 0.00 -0.79 0.75 2.30 -1.23 0.00 0.00 174.94 175.97 3ksm n ILE 200 N 6.20 0.00 -3.67 2.92 -5.35 0.11 -4.92 119.36 114.65 3ksm n ILE 200 Ca 0.03 -0.10 -0.11 0.00 -0.27 0.00 0.00 62.75 62.29 3ksm n ILE 200 Cb 0.48 0.91 -0.08 0.00 -1.74 0.00 0.00 39.64 39.20 3ksm n ILE 200 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ksm s ALA 201 N -2.80 -1.50 -0.38 -1.28 0.00 -1.23 -5.03 121.76 109.54 3ksm s ALA 201 Ca 0.06 1.83 0.12 0.00 0.00 0.00 0.00 51.96 53.97 3ksm s ALA 201 Cb 0.14 -1.08 0.39 0.00 0.00 0.00 0.00 23.12 22.57 3ksm s ALA 201 CO 0.76 -0.30 1.02 0.00 0.00 0.00 0.00 175.76 177.24 3ksm n ALA 202 N 3.39 1.83 -1.75 0.00 0.00 -1.25 -0.68 120.51 122.05 3ksm n ALA 202 Ca -0.17 -2.47 -0.31 0.00 0.00 0.00 0.00 53.44 50.49 3ksm n ALA 202 Cb 0.57 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 19.05 3ksm n ALA 202 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ksm s PRO 203 N -1.58 3.30 0.02 0.00 0.04 -1.21 -4.64 135.00 130.93 3ksm s PRO 203 Ca 0.28 0.82 -0.25 0.00 0.04 0.00 0.00 61.00 61.89 3ksm s PRO 203 Cb 0.39 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.84 3ksm s PRO 203 CO -0.04 -0.81 0.76 0.71 0.04 0.00 0.00 177.00 177.67 3ksm s TYR 204 N -3.13 3.70 -0.14 0.56 2.02 -1.26 -0.86 117.35 118.24 3ksm s TYR 204 Ca 0.56 1.44 0.18 0.00 -0.37 0.00 0.00 57.07 58.88 3ksm s TYR 204 Cb -0.12 -2.83 -0.25 0.00 -0.40 0.00 0.00 41.96 38.36 3ksm s TYR 204 CO 0.54 0.22 0.30 0.00 -1.57 0.00 0.00 175.55 175.04 3ksm n ALA 205 N 3.05 1.78 0.00 3.71 0.00 0.10 -4.93 120.51 124.22 3ksm n ALA 205 Ca -0.02 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.38 3ksm n ALA 205 Cb 0.50 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3ksm n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksm n GLY 206 N 1.60 -2.61 0.04 0.00 0.00 -0.26 -3.98 105.19 99.98 3ksm n GLY 206 Ca -0.23 -1.75 0.12 0.00 0.00 0.00 0.00 46.02 44.15 3ksm n GLY 206 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ksm n ASP 207 N -0.03 0.64 -4.84 1.61 8.00 -1.26 -4.74 116.55 115.92 3ksm n ASP 207 Ca 0.00 -0.10 -0.37 0.00 0.71 0.00 0.00 54.79 55.03 3ksm n ASP 207 Cb 0.00 0.53 -0.06 0.00 -0.02 0.00 0.00 41.12 41.57 3ksm n ASP 207 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ksm s ASP 208 N -3.97 6.77 0.34 -2.24 2.15 -1.26 -4.86 116.67 113.60 3ksm s ASP 208 Ca 0.05 0.93 0.07 0.00 0.43 0.00 0.00 52.55 54.03 3ksm s ASP 208 Cb 0.14 -2.23 0.61 0.00 -0.30 0.00 0.00 42.92 41.13 3ksm s ASP 208 CO 0.77 0.29 1.81 0.08 -0.17 0.00 0.00 175.17 177.94 3ksm h ARG 209 N 4.47 0.27 -0.75 4.34 0.11 -1.87 -2.23 114.38 118.73 3ksm h ARG 209 Ca -0.51 -0.09 0.02 0.00 0.10 0.00 0.00 59.98 59.50 3ksm h ARG 209 Cb 1.21 -0.02 -0.04 0.00 1.11 0.00 0.00 29.97 32.23 3ksm h ARG 209 CO 0.62 0.51 0.48 0.78 0.10 0.00 0.00 179.97 182.47 3ksm h GLY 210 N 0.97 1.06 1.06 0.08 0.00 -1.94 -0.61 103.07 103.69 3ksm h GLY 210 Ca 0.04 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3ksm h GLY 210 CO 0.04 0.34 0.23 0.00 0.00 0.00 0.00 176.54 177.15 3ksm h ALA 211 N 1.30 0.98 -0.65 3.60 0.00 -1.77 -2.00 119.26 120.71 3ksm h ALA 211 Ca 0.29 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3ksm h ALA 211 Cb -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3ksm h ALA 211 CO -0.09 0.67 0.18 0.00 0.00 0.00 0.00 179.25 180.01 3ksm h ALA 212 N 1.12 0.85 -0.22 0.00 0.00 -1.15 -1.26 119.26 118.61 3ksm h ALA 212 Ca 0.24 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ksm h ALA 212 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ksm h ALA 212 CO -0.01 0.55 0.11 -0.09 0.00 0.00 0.00 179.25 179.81 3ksm h ARG 213 N 0.95 0.23 -0.59 0.00 2.43 -0.96 -3.06 114.38 113.38 3ksm h ARG 213 Ca 0.21 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3ksm h ARG 213 Cb 0.33 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 3ksm h ARG 213 CO -0.00 0.15 0.39 0.77 -1.51 0.00 0.00 179.97 179.77 3ksm h SER 214 N 0.24 0.69 0.00 -3.80 0.02 -1.18 -1.63 113.55 107.88 3ksm h SER 214 Ca 0.09 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3ksm h SER 214 Cb 0.01 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.38 3ksm h SER 214 CO -0.05 0.51 0.00 1.21 -1.14 0.00 0.00 176.83 177.35 3ksm n GLU 215 N -4.66 0.17 0.00 3.45 4.07 -0.49 -2.12 120.64 121.05 3ksm n GLU 215 Ca 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 3ksm n GLU 215 Cb 0.03 -1.12 0.00 0.00 -0.06 0.00 0.00 31.44 30.29 3ksm n GLU 215 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3ksm n LEU 217 N 0.46 0.00 0.04 4.31 4.77 -0.62 -1.71 117.00 124.25 3ksm n LEU 217 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3ksm n LEU 217 Cb 0.05 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 3ksm n LEU 217 CO 0.00 0.00 0.75 -0.09 -1.33 0.00 0.00 177.39 176.72 3ksm h ARG 218 N 0.00 -0.06 -0.59 3.23 2.43 -1.69 -2.62 114.38 115.07 3ksm h ARG 218 Ca 0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 3ksm h ARG 218 Cb 0.00 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.48 3ksm h ARG 218 CO 0.00 0.16 0.13 -0.07 -1.51 0.00 0.00 179.97 178.68 3ksm h LEU 219 N -0.28 0.02 -0.78 3.80 3.38 -1.62 -0.85 115.31 118.98 3ksm h LEU 219 Ca -0.01 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3ksm h LEU 219 Cb 0.25 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3ksm h LEU 219 CO 0.01 0.02 0.21 -0.07 0.09 0.00 0.00 178.44 178.70 3ksm h LEU 220 N 0.27 1.06 -0.03 1.67 3.38 -1.83 -0.09 115.31 119.74 3ksm h LEU 220 Ca 0.31 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ksm h LEU 220 Cb 0.45 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ksm h LEU 220 CO -0.39 0.99 0.01 0.50 0.09 0.00 0.00 178.44 179.64 3ksm h LYS 221 N 1.08 0.04 0.00 1.13 3.64 -1.14 -3.36 116.57 117.96 3ksm h LYS 221 Ca 0.23 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 3ksm h LYS 221 Cb 0.33 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3ksm h LYS 221 CO -0.00 0.28 -1.09 0.93 -2.27 0.00 0.00 179.45 177.29 3ksm h GLU 222 N -0.20 0.00 -5.89 1.90 5.08 -1.05 -3.45 114.58 110.96 3ksm h GLU 222 Ca 0.01 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.80 3ksm h GLU 222 Cb 0.25 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 3ksm h GLU 222 CO 0.00 0.33 0.10 0.99 -1.00 0.00 0.00 179.01 179.43 3ksm s THR 223 N -2.97 5.04 0.10 1.13 2.01 -0.06 -5.00 115.64 115.89 3ksm s THR 223 Ca -0.01 1.34 -0.29 0.00 0.31 0.00 0.00 61.69 63.04 3ksm s THR 223 Cb 0.08 -4.00 -0.11 0.00 0.01 0.00 0.00 72.50 68.48 3ksm s THR 223 CO 0.79 0.20 1.63 -0.65 -0.69 0.00 0.00 174.62 175.89 3ksm h PRO 224 N 7.00 -0.59 -3.23 4.92 0.11 -1.88 -3.43 132.00 134.90 3ksm h PRO 224 Ca -0.37 0.04 -0.38 0.00 0.11 0.00 0.00 66.00 65.40 3ksm h PRO 224 Cb 1.17 0.13 -0.39 0.00 0.11 0.00 0.00 31.00 32.03 3ksm h PRO 224 CO 0.77 -0.39 -0.73 0.99 -0.21 0.00 0.00 178.00 178.42 3ksm s THR 225 N -6.03 -0.12 -0.21 -1.15 2.01 -1.26 -5.11 115.64 103.77 3ksm s THR 225 Ca -0.16 0.29 -0.06 0.00 0.31 0.00 0.00 61.69 62.07 3ksm s THR 225 Cb 0.07 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 3ksm s THR 225 CO 0.64 0.08 0.03 -0.63 -0.69 0.00 0.00 174.62 174.05 3ksm s ILE 226 N 2.18 4.21 -0.09 1.82 1.01 -1.26 -4.69 121.20 124.38 3ksm s ILE 226 Ca 0.04 -0.22 0.15 0.00 0.00 0.00 0.00 60.65 60.62 3ksm s ILE 226 Cb -0.13 -2.92 -0.23 0.00 0.01 0.00 0.00 42.46 39.20 3ksm s ILE 226 CO -0.05 0.41 0.36 0.47 0.00 0.00 0.00 174.94 176.14 3ksm n ASP 227 N 4.24 1.47 -3.66 3.58 8.00 0.87 -4.78 116.55 126.27 3ksm n ASP 227 Ca -0.17 -0.08 -0.15 0.00 0.71 0.00 0.00 54.79 55.10 3ksm n ASP 227 Cb 0.52 1.62 -0.08 0.00 -0.02 0.00 0.00 41.12 43.16 3ksm n ASP 227 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3ksm s GLY 228 N -3.60 -0.36 0.01 0.44 0.00 -1.00 -2.14 107.32 100.67 3ksm s GLY 228 Ca -0.04 0.97 0.01 0.00 0.00 0.00 0.00 44.72 45.65 3ksm s GLY 228 CO 0.62 0.71 -0.02 -2.27 0.00 0.00 0.00 173.10 172.14 3ksm s LEU 229 N -0.85 2.06 -0.06 0.66 2.96 -0.10 -0.79 118.68 122.55 3ksm s LEU 229 Ca -0.09 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 3ksm s LEU 229 Cb -0.03 -0.06 0.01 0.00 0.50 0.00 0.00 46.19 46.60 3ksm s LEU 229 CO 0.05 -0.05 -0.13 0.12 -1.32 0.00 0.00 176.35 175.02 3ksm s PHE 230 N -0.37 1.48 -0.14 5.38 5.36 -0.88 -1.14 117.98 127.67 3ksm s PHE 230 Ca -0.03 -0.51 0.02 0.00 -0.96 0.00 0.00 56.93 55.45 3ksm s PHE 230 Cb -0.03 -1.06 0.01 0.00 -0.34 0.00 0.00 43.02 41.60 3ksm s PHE 230 CO -0.00 -0.24 -0.20 0.95 -1.46 0.00 0.00 175.22 174.27 3ksm s THR 231 N 0.49 1.92 -2.15 0.12 -4.23 -0.80 -2.09 115.64 108.90 3ksm s THR 231 Ca -0.12 -0.89 0.17 0.00 -1.18 0.00 0.00 61.69 59.67 3ksm s THR 231 Cb -0.14 -1.72 0.40 0.00 1.34 0.00 0.00 72.50 72.38 3ksm s THR 231 CO 0.03 0.52 1.44 -0.81 -0.54 0.00 0.00 174.62 175.27 3ksm n PRO 232 N 4.22 1.68 -3.88 3.99 -0.04 -1.26 -2.94 135.00 136.78 3ksm n PRO 232 Ca -0.20 -1.03 -0.10 0.00 -0.04 0.00 0.00 63.50 62.13 3ksm n PRO 232 Cb 0.51 -1.33 0.01 0.00 -0.04 0.00 0.00 33.50 32.65 3ksm n PRO 232 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ksm s ASN 233 N -1.36 0.21 0.14 3.54 4.22 -1.26 -4.84 114.94 115.59 3ksm s ASN 233 Ca 0.28 -1.21 -0.26 0.00 -2.14 0.00 0.00 52.86 49.53 3ksm s ASN 233 Cb 0.15 0.80 -0.02 0.00 1.28 0.00 0.00 41.25 43.46 3ksm s ASN 233 CO 0.22 -1.59 1.60 -0.08 -2.04 0.00 0.00 177.10 175.21 3ksm h GLU 234 N 2.03 -0.38 -0.71 3.55 4.81 -1.86 -0.36 114.58 121.65 3ksm h GLU 234 Ca -0.31 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.88 3ksm h GLU 234 Cb 1.25 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 3ksm h GLU 234 CO 0.40 -0.26 0.18 0.66 -0.73 0.00 0.00 179.01 179.26 3ksm h SER 235 N -0.40 1.08 0.11 1.04 4.64 -1.89 -1.16 113.55 116.97 3ksm h SER 235 Ca 0.10 -0.23 -0.15 0.00 -0.47 0.00 0.00 61.79 61.04 3ksm h SER 235 Cb 0.56 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3ksm h SER 235 CO -0.38 1.03 -0.55 0.71 -0.87 0.00 0.00 176.83 176.77 3ksm h THR 236 N 1.08 1.33 -0.23 2.95 1.35 -1.84 -1.18 112.91 116.38 3ksm h THR 236 Ca 0.22 -1.81 -0.04 0.00 -0.55 0.00 0.00 66.41 64.24 3ksm h THR 236 Cb 0.37 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 3ksm h THR 236 CO 0.00 0.56 -0.01 0.74 -0.25 0.00 0.00 175.52 176.56 3ksm h THR 237 N 0.36 1.26 -0.24 6.82 2.02 -0.76 -1.35 112.91 121.01 3ksm h THR 237 Ca 0.01 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 66.24 3ksm h THR 237 Cb 1.07 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 3ksm h THR 237 CO 0.10 0.28 0.01 0.40 0.37 0.00 0.00 175.52 176.68 3ksm h ILE 238 N 0.16 1.25 -0.49 3.11 2.04 -1.17 -0.56 117.51 121.85 3ksm h ILE 238 Ca 0.06 -0.88 0.05 0.00 1.00 0.00 0.00 64.86 65.10 3ksm h ILE 238 Cb 0.42 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 3ksm h ILE 238 CO 0.01 0.27 0.22 1.23 0.00 0.00 0.00 178.15 179.88 3ksm h GLY 239 N 0.20 0.67 0.92 5.37 0.00 -1.23 -1.57 103.07 107.44 3ksm h GLY 239 Ca 0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 3ksm h GLY 239 CO 0.01 0.06 0.04 0.00 0.00 0.00 0.00 176.54 176.66 3ksm h ALA 240 N 1.29 0.50 -0.39 3.60 0.00 -1.08 -1.86 119.26 121.31 3ksm h ALA 240 Ca 0.23 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3ksm h ALA 240 Cb 0.18 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 3ksm h ALA 240 CO -0.19 0.22 -0.03 1.25 0.00 0.00 0.00 179.25 180.50 3ksm h LEU 241 N 0.46 -0.23 -0.45 0.00 5.85 -0.93 0.18 115.31 120.20 3ksm h LEU 241 Ca 0.11 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3ksm h LEU 241 Cb 0.39 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3ksm h LEU 241 CO 0.01 -0.07 0.14 0.58 -0.34 0.00 0.00 178.44 178.75 3ksm h VAL 242 N 0.07 1.22 -0.78 1.05 2.07 -1.10 -1.70 116.25 117.09 3ksm h VAL 242 Ca 0.19 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3ksm h VAL 242 Cb 0.28 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3ksm h VAL 242 CO -0.35 0.27 0.50 0.00 0.02 0.00 0.00 177.57 178.01 3ksm h ALA 243 N 0.99 1.01 -0.36 1.67 0.00 -1.00 -0.86 119.26 120.70 3ksm h ALA 243 Ca 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ksm h ALA 243 Cb 0.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ksm h ALA 243 CO -0.00 0.35 0.16 0.82 0.00 0.00 0.00 179.25 180.57 3ksm h ILE 244 N 1.00 1.18 0.24 0.00 2.04 -0.27 -0.96 117.51 120.74 3ksm h ILE 244 Ca 0.30 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3ksm h ILE 244 Cb -0.04 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3ksm h ILE 244 CO -0.09 0.19 -0.15 0.03 0.00 0.00 0.00 178.15 178.13 3ksm h ARG 245 N 0.44 -0.36 -0.05 2.37 3.08 -1.17 -2.83 114.38 115.86 3ksm h ARG 245 Ca 0.12 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.21 3ksm h ARG 245 Cb 0.15 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3ksm h ARG 245 CO -0.01 -0.24 0.04 1.96 -1.07 0.00 0.00 179.97 180.65 3ksm h GLN 246 N -0.37 0.00 -0.07 0.04 4.20 -1.01 -0.64 115.11 117.25 3ksm h GLN 246 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3ksm h GLN 246 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3ksm h GLN 246 CO 0.02 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.61 3ksm n SER 247 N -4.25 1.04 -2.34 1.46 7.64 -0.38 -5.09 113.62 111.71 3ksm n SER 247 Ca -0.02 -1.50 -0.04 0.00 1.01 0.00 0.00 58.87 58.32 3ksm n SER 247 Cb 0.14 -0.04 0.01 0.00 -1.01 0.00 0.00 64.21 63.31 3ksm n SER 247 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ksm n GLY 248 N 1.05 -1.46 0.00 0.23 0.00 -0.25 -5.05 105.19 99.71 3ksm n GLY 248 Ca 0.18 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.87 3ksm n GLY 248 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ksm n SER 250 N -0.26 -0.27 -0.76 1.61 7.64 -1.25 -5.03 113.62 115.30 3ksm n SER 250 Ca 0.06 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.85 3ksm n SER 250 Cb 0.25 0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 63.61 3ksm n SER 250 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ksm n LYS 251 N 1.70 -1.44 0.06 1.43 5.02 -1.26 -4.86 118.16 118.81 3ksm n LYS 251 Ca 0.00 0.82 -0.04 0.00 -2.02 0.00 0.00 58.31 57.07 3ksm n LYS 251 Cb 0.00 -5.08 -0.08 0.00 -0.02 0.00 0.00 35.03 29.85 3ksm n LYS 251 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3ksm h GLN 252 N 0.07 0.00 -4.35 1.97 1.08 -1.92 -3.48 115.11 108.48 3ksm h GLN 252 Ca -0.20 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 56.81 3ksm h GLN 252 Cb 1.02 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.31 3ksm h GLN 252 CO 0.30 0.67 -0.55 -0.59 -0.95 0.00 0.00 178.83 177.70 3ksm s PHE 253 N -2.79 0.86 0.27 2.96 -0.12 -1.26 -5.01 117.98 112.89 3ksm s PHE 253 Ca 0.00 -1.18 -0.29 0.00 -0.05 0.00 0.00 56.93 55.41 3ksm s PHE 253 Cb 0.09 -0.40 -0.10 0.00 -0.63 0.00 0.00 43.02 41.99 3ksm s PHE 253 CO 0.80 -0.62 1.25 0.20 -0.05 0.00 0.00 175.22 176.80 3ksm s GLY 254 N -3.07 2.85 -0.20 1.99 0.00 -0.91 -4.90 107.32 103.08 3ksm s GLY 254 Ca 0.28 1.11 -0.04 0.00 0.00 0.00 0.00 44.72 46.07 3ksm s GLY 254 CO 0.05 1.85 0.20 -0.12 0.00 0.00 0.00 173.10 175.08 3ksm s PHE 255 N -0.74 -0.19 -0.21 1.90 5.36 -1.26 -0.93 117.98 121.92 3ksm s PHE 255 Ca 0.50 0.11 -0.08 0.00 -0.96 0.00 0.00 56.93 56.50 3ksm s PHE 255 Cb -0.37 -0.43 -0.04 0.00 -0.34 0.00 0.00 43.02 41.85 3ksm s PHE 255 CO 0.45 -0.59 0.08 0.42 -1.46 0.00 0.00 175.22 174.11 3ksm s ILE 256 N 2.29 4.73 0.31 3.12 -1.09 -0.29 -0.08 121.20 130.19 3ksm s ILE 256 Ca 0.06 -0.04 0.02 0.00 -2.23 0.00 0.00 60.65 58.46 3ksm s ILE 256 Cb -0.16 -3.17 0.02 0.00 -1.58 0.00 0.00 42.46 37.58 3ksm s ILE 256 CO -0.12 0.41 0.20 0.61 -1.23 0.00 0.00 174.94 174.80 3ksm n GLY 257 N 4.05 3.02 3.00 6.18 0.00 -0.45 -1.91 105.19 119.07 3ksm n GLY 257 Ca -0.16 -2.25 -0.13 0.00 0.00 0.00 0.00 46.02 43.48 3ksm n GLY 257 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ksm s PHE 258 N -1.60 -0.15 0.14 1.61 5.36 -1.15 -1.53 117.98 120.65 3ksm s PHE 258 Ca 0.15 0.37 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 3ksm s PHE 258 Cb -0.01 0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.70 3ksm s PHE 258 CO 0.09 -0.08 0.00 -0.25 -1.46 0.00 0.00 175.22 173.52 3ksm n ASP 259 N 3.17 -2.40 -3.89 6.13 8.00 0.69 -2.73 116.55 125.51 3ksm n ASP 259 Ca -0.14 0.30 -0.11 0.00 0.71 0.00 0.00 54.79 55.54 3ksm n ASP 259 Cb 0.58 -1.31 -0.12 0.00 -0.02 0.00 0.00 41.12 40.26 3ksm n ASP 259 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ksm s GLN 260 N -2.41 0.23 0.24 -1.24 -2.07 -1.26 -4.77 119.66 108.38 3ksm s GLN 260 Ca 0.00 -0.22 -0.05 0.00 -1.82 0.00 0.00 55.36 53.27 3ksm s GLN 260 Cb 0.00 0.09 -0.02 0.00 -1.09 0.00 0.00 33.01 31.99 3ksm s GLN 260 CO 0.00 -0.04 0.30 0.95 -1.32 0.00 0.00 175.29 175.18 3ksm s THR 261 N -0.72 0.00 0.19 3.63 -4.23 -1.26 -4.87 115.64 108.39 3ksm s THR 261 Ca -0.08 -1.75 -0.12 0.00 -1.18 0.00 0.00 61.69 58.56 3ksm s THR 261 Cb -0.05 -2.42 0.12 0.00 1.34 0.00 0.00 72.50 71.49 3ksm s THR 261 CO 0.00 0.00 1.73 -0.08 -0.54 0.00 0.00 174.62 175.73 3ksm h GLU 262 N 2.39 0.30 -0.73 3.99 4.81 -2.01 0.11 114.58 123.44 3ksm h GLU 262 Ca -0.31 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 3ksm h GLU 262 Cb 1.25 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 3ksm h GLU 262 CO 0.44 0.20 0.42 1.05 -0.73 0.00 0.00 179.01 180.39 3ksm h GLU 263 N 0.31 1.01 -0.47 1.92 4.11 -1.99 -1.23 114.58 118.23 3ksm h GLU 263 Ca 0.26 -0.10 -0.12 0.00 0.07 0.00 0.00 59.36 59.47 3ksm h GLU 263 Cb 0.33 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3ksm h GLU 263 CO -0.30 0.73 -0.18 -0.07 0.07 0.00 0.00 179.01 179.26 3ksm h LEU 264 N 1.00 0.98 -0.26 3.06 3.38 -1.82 -2.15 115.31 119.49 3ksm h LEU 264 Ca 0.26 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3ksm h LEU 264 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3ksm h LEU 264 CO -0.05 1.14 0.13 -0.33 0.09 0.00 0.00 178.44 179.43 3ksm h GLU 265 N 0.80 0.27 -0.48 1.13 5.08 -0.86 -2.90 114.58 117.62 3ksm h GLU 265 Ca 0.11 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3ksm h GLU 265 Cb 0.75 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 3ksm h GLU 265 CO 0.06 0.18 0.26 0.00 -1.00 0.00 0.00 179.01 178.51 3ksm h ALA 266 N 1.13 0.61 0.00 3.43 0.00 -1.20 0.35 119.26 123.59 3ksm h ALA 266 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ksm h ALA 266 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ksm h ALA 266 CO -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.11 3ksm n ALA 267 N -2.30 1.27 0.00 0.00 0.00 -0.81 -1.06 120.51 117.61 3ksm n ALA 267 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3ksm n ALA 267 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3ksm n ALA 267 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ksm n TYR 269 N 0.69 0.00 1.43 0.00 4.01 0.11 -0.55 117.16 122.85 3ksm n TYR 269 Ca 0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.89 3ksm n TYR 269 Cb 0.02 0.00 0.74 0.00 -0.31 0.00 0.00 39.34 39.78 3ksm n TYR 269 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ksm n ALA 270 N 0.00 2.53 -0.93 -0.72 0.00 -0.22 -4.92 120.51 116.25 3ksm n ALA 270 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3ksm n ALA 270 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 17.98 3ksm n ALA 270 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksm n GLY 271 N 1.29 0.60 0.08 0.00 0.00 -1.10 -4.92 105.19 101.14 3ksm n GLY 271 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 3ksm n GLY 271 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ksm h GLU 272 N 1.50 0.05 -5.78 1.61 5.08 -1.16 -3.41 114.58 112.47 3ksm h GLU 272 Ca 0.00 -0.07 -0.68 0.00 -1.00 0.00 0.00 59.36 57.61 3ksm h GLU 272 Cb 0.00 0.03 -0.28 0.00 0.50 0.00 0.00 28.75 29.00 3ksm h GLU 272 CO 0.00 0.98 -0.81 0.42 -1.00 0.00 0.00 179.01 178.59 3ksm s ILE 273 N -2.86 2.65 0.11 3.13 1.01 -1.01 -4.51 121.20 119.72 3ksm s ILE 273 Ca -0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 59.72 3ksm s ILE 273 Cb 0.10 -2.04 -0.19 0.00 0.01 0.00 0.00 42.46 40.33 3ksm s ILE 273 CO 0.82 0.56 1.27 0.28 0.00 0.00 0.00 174.94 177.87 3ksm h SER 274 N 6.18 0.72 -4.79 3.58 0.02 -0.77 -3.44 113.55 115.05 3ksm h SER 274 Ca -0.32 -0.56 0.11 0.00 -0.84 0.00 0.00 61.79 60.19 3ksm h SER 274 Cb 1.19 -0.22 -0.14 0.00 0.14 0.00 0.00 62.40 63.37 3ksm h SER 274 CO 0.51 1.35 0.47 0.21 -1.14 0.00 0.00 176.83 178.23 3ksm s ASN 275 N -7.16 -0.35 -0.08 3.07 3.84 -1.18 -5.00 114.94 108.09 3ksm s ASN 275 Ca -0.08 -0.07 0.04 0.00 0.21 0.00 0.00 52.86 52.95 3ksm s ASN 275 Cb 0.08 0.42 0.00 0.00 -0.55 0.00 0.00 41.25 41.21 3ksm s ASN 275 CO 0.89 -0.70 -0.19 -0.76 -2.79 0.00 0.00 177.10 173.55 3ksm s LEU 276 N -2.58 1.92 -0.15 3.21 1.43 -1.26 -1.35 118.68 119.90 3ksm s LEU 276 Ca 0.06 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 52.48 3ksm s LEU 276 Cb -0.01 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 3ksm s LEU 276 CO -0.07 0.12 0.71 -0.69 0.23 0.00 0.00 176.35 176.65 3ksm s VAL 277 N 0.41 4.99 -0.02 -1.59 1.01 -0.58 -0.26 120.40 124.35 3ksm s VAL 277 Ca -0.16 1.40 0.04 0.00 0.00 0.00 0.00 61.98 63.26 3ksm s VAL 277 Cb -0.17 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 3ksm s VAL 277 CO 0.06 0.13 -0.14 0.68 0.00 0.00 0.00 175.10 175.84 3ksm s VAL 278 N 1.62 1.12 0.39 2.92 -7.23 0.15 -0.22 120.40 119.15 3ksm s VAL 278 Ca 0.34 -0.59 0.03 0.00 -1.81 0.00 0.00 61.98 59.95 3ksm s VAL 278 Cb -0.17 -0.95 0.07 0.00 0.56 0.00 0.00 36.38 35.90 3ksm s VAL 278 CO 0.13 0.32 0.53 0.00 -0.31 0.00 0.00 175.10 175.78 3ksm n GLN 279 N 2.86 0.46 -3.44 4.82 6.02 -1.26 -2.07 117.38 124.78 3ksm n GLN 279 Ca -0.15 -1.71 -0.27 0.00 -0.01 0.00 0.00 57.00 54.86 3ksm n GLN 279 Cb 0.55 -0.27 -0.08 0.00 1.02 0.00 0.00 30.24 31.45 3ksm n GLN 279 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3ksm n ASN 280 N -2.79 3.80 -0.11 1.08 5.03 -1.25 -4.97 115.26 116.05 3ksm n ASN 280 Ca 0.10 -3.44 -0.01 0.00 0.87 0.00 0.00 54.58 52.10 3ksm n ASN 280 Cb 0.35 -0.69 0.25 0.00 -1.02 0.00 0.00 39.78 38.67 3ksm n ASN 280 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 3ksm h PRO 281 N 4.26 0.77 -0.10 3.52 0.13 -1.93 -2.81 132.00 135.84 3ksm h PRO 281 Ca 0.20 -0.12 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 3ksm h PRO 281 Cb 0.66 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 3ksm h PRO 281 CO 0.84 0.65 0.03 1.49 -0.23 0.00 0.00 178.00 180.78 3ksm h GLU 282 N 0.76 0.16 -1.59 0.86 4.81 -1.88 -1.03 114.58 116.67 3ksm h GLU 282 Ca 0.18 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3ksm h GLU 282 Cb 0.17 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3ksm h GLU 282 CO -0.01 0.33 0.00 0.98 -0.73 0.00 0.00 179.01 179.58 3ksm n TYR 283 N -4.88 0.00 0.00 0.92 9.36 -1.06 -1.44 117.16 120.06 3ksm n TYR 283 Ca -0.06 -0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.13 3ksm n TYR 283 Cb 0.15 -0.09 0.00 0.00 -0.63 0.00 0.00 39.34 38.77 3ksm n TYR 283 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3ksm n GLY 285 N 0.87 0.00 0.12 2.98 0.00 -0.39 -0.77 105.19 108.00 3ksm n GLY 285 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3ksm n GLY 285 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ksm h TYR 286 N 0.00 -0.18 -0.41 1.61 3.20 -1.27 -2.53 116.97 117.39 3ksm h TYR 286 Ca 0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 3ksm h TYR 286 Cb 0.00 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 3ksm h TYR 286 CO 0.00 0.11 0.04 -0.07 -1.64 0.00 0.00 178.16 176.60 3ksm h LEU 287 N -0.48 0.59 -0.63 2.82 3.38 -1.22 -2.22 115.31 117.54 3ksm h LEU 287 Ca -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3ksm h LEU 287 Cb 0.38 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3ksm h LEU 287 CO 0.03 0.63 0.35 0.00 0.09 0.00 0.00 178.44 179.55 3ksm h ALA 288 N 1.44 0.81 -0.61 1.53 0.00 -1.77 0.56 119.26 121.23 3ksm h ALA 288 Ca 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ksm h ALA 288 Cb 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3ksm h ALA 288 CO 0.01 0.32 0.28 0.28 0.00 0.00 0.00 179.25 180.14 3ksm h VAL 289 N 0.86 1.22 -0.56 0.00 2.07 -1.24 0.13 116.25 118.73 3ksm h VAL 289 Ca 0.22 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 3ksm h VAL 289 Cb 0.04 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3ksm h VAL 289 CO -0.04 0.26 0.16 1.56 0.02 0.00 0.00 177.57 179.53 3ksm h GLN 290 N 0.84 0.89 -0.54 1.57 4.20 -0.98 -1.21 115.11 119.87 3ksm h GLN 290 Ca 0.21 -0.20 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 3ksm h GLN 290 Cb 0.14 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3ksm h GLN 290 CO -0.02 0.81 -0.07 0.00 -0.67 0.00 0.00 178.83 178.88 3ksm h ARG 291 N 0.80 0.98 -0.58 1.46 2.47 -0.77 -1.74 114.38 117.00 3ksm h ARG 291 Ca 0.18 -0.33 -0.10 0.00 -1.26 0.00 0.00 59.98 58.47 3ksm h ARG 291 Cb 0.31 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 3ksm h ARG 291 CO -0.00 1.01 -0.02 0.00 0.56 0.00 0.00 179.97 181.51 3ksm h ALA 292 N 1.03 0.86 -0.76 0.04 0.00 -0.61 -1.89 119.26 117.93 3ksm h ALA 292 Ca 0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3ksm h ALA 292 Cb 0.61 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3ksm h ALA 292 CO 0.04 0.66 0.31 -0.07 0.00 0.00 0.00 179.25 180.19 3ksm h LEU 293 N 0.93 1.04 -0.62 0.00 3.38 -1.10 -0.99 115.31 117.95 3ksm h LEU 293 Ca 0.16 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3ksm h LEU 293 Cb 0.57 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3ksm h LEU 293 CO 0.03 0.92 0.34 0.44 0.09 0.00 0.00 178.44 180.27 3ksm h ASP 294 N 1.11 0.51 -0.50 -0.43 3.32 -0.78 -1.17 116.42 118.49 3ksm h ASP 294 Ca 0.26 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3ksm h ASP 294 Cb 0.20 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3ksm h ASP 294 CO -0.02 0.34 0.32 -0.07 -1.72 0.00 0.00 179.24 178.09 3ksm h LEU 295 N 0.65 0.57 -1.09 1.55 3.38 -0.88 0.13 115.31 119.63 3ksm h LEU 295 Ca 0.27 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.26 3ksm h LEU 295 Cb 0.14 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3ksm h LEU 295 CO -0.16 0.42 0.61 0.58 0.09 0.00 0.00 178.44 179.99 3ksm h VAL 296 N 0.67 1.14 -0.05 1.22 2.07 -0.73 -1.57 116.25 119.00 3ksm h VAL 296 Ca 0.18 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3ksm h VAL 296 Cb -0.07 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.59 3ksm h VAL 296 CO -0.04 0.21 0.00 0.54 0.02 0.00 0.00 177.57 178.30 3ksm n ARG 297 N -4.45 1.28 -1.28 1.57 1.74 -0.48 -4.91 116.66 110.12 3ksm n ARG 297 Ca 0.13 -0.41 -0.07 0.00 -0.77 0.00 0.00 57.85 56.73 3ksm n ARG 297 Cb 0.12 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 3ksm n ARG 297 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ksm n GLY 298 N 0.94 0.85 3.84 -0.13 0.00 -0.59 -5.04 105.19 105.07 3ksm n GLY 298 Ca 0.16 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 3ksm n GLY 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ksm s LYS 299 N -2.74 3.97 0.47 1.61 1.02 0.37 -4.99 119.74 119.44 3ksm s LYS 299 Ca 0.00 0.47 -0.23 0.00 0.02 0.00 0.00 55.97 56.23 3ksm s LYS 299 Cb 0.00 -2.94 -0.07 0.00 -0.52 0.00 0.00 37.83 34.30 3ksm s LYS 299 CO 0.00 0.49 1.22 -2.14 -0.92 0.00 0.00 175.35 173.99 3ksm s PRO 300 N -1.94 3.68 0.18 -1.68 0.02 -1.26 -4.06 135.00 129.94 3ksm s PRO 300 Ca 0.37 1.90 0.08 0.00 0.02 0.00 0.00 61.00 63.37 3ksm s PRO 300 Cb -0.15 -2.43 -0.04 0.00 0.02 0.00 0.00 34.50 31.90 3ksm s PRO 300 CO 0.19 -0.66 -0.15 0.96 -0.33 0.00 0.00 177.00 177.01 3ksm s ILE 301 N -1.46 1.69 0.47 2.83 -4.36 -1.26 -4.98 121.20 114.13 3ksm s ILE 301 Ca 0.64 -2.06 -0.24 0.00 -0.26 0.00 0.00 60.65 58.74 3ksm s ILE 301 Cb -0.32 -1.91 -0.07 0.00 1.25 0.00 0.00 42.46 41.41 3ksm s ILE 301 CO 0.39 -0.50 1.30 -2.84 0.24 0.00 0.00 174.94 173.53 3ksm s PRO 302 N -3.28 3.60 0.25 0.37 0.02 -1.26 -4.91 135.00 129.79 3ksm s PRO 302 Ca 0.19 2.11 -0.04 0.00 0.02 0.00 0.00 61.00 63.28 3ksm s PRO 302 Cb -0.03 -2.48 0.37 0.00 0.02 0.00 0.00 34.50 32.38 3ksm s PRO 302 CO 0.06 -0.78 1.87 0.00 -0.33 0.00 0.00 177.00 177.82 3ksm h ALA 303 N 2.06 1.30 -3.31 -1.55 0.00 -1.90 -3.40 119.26 112.46 3ksm h ALA 303 Ca -0.50 -0.02 -0.43 0.00 0.00 0.00 0.00 54.91 53.96 3ksm h ALA 303 Cb 1.27 -0.28 -0.37 0.00 0.00 0.00 0.00 17.79 18.40 3ksm h ALA 303 CO 0.60 0.39 -0.77 0.12 0.00 0.00 0.00 179.25 179.59 3ksm s PHE 304 N -6.05 0.72 -0.35 0.00 5.36 -1.26 -0.49 117.98 115.91 3ksm s PHE 304 Ca -0.13 -0.20 -0.09 0.00 -0.96 0.00 0.00 56.93 55.55 3ksm s PHE 304 Cb 0.19 -0.78 0.02 0.00 -0.34 0.00 0.00 43.02 42.12 3ksm s PHE 304 CO 0.80 -0.30 0.16 0.99 -1.46 0.00 0.00 175.22 175.42 3ksm s THR 305 N 1.67 4.35 -0.33 0.12 2.01 0.03 -4.99 115.64 118.51 3ksm s THR 305 Ca 0.01 -0.81 -0.26 0.00 0.31 0.00 0.00 61.69 60.93 3ksm s THR 305 Cb -0.13 -3.38 0.01 0.00 0.01 0.00 0.00 72.50 69.01 3ksm s THR 305 CO -0.04 -0.13 0.91 -0.62 -0.69 0.00 0.00 174.62 174.04 3ksm s ASP 306 N 1.53 6.75 0.00 3.53 -1.08 -1.26 -1.85 116.67 124.29 3ksm s ASP 306 Ca 0.02 0.75 0.28 0.00 -0.52 0.00 0.00 52.55 53.08 3ksm s ASP 306 Cb -0.19 -2.46 1.07 0.00 -1.46 0.00 0.00 42.92 39.88 3ksm s ASP 306 CO 0.05 -0.76 1.75 0.35 0.52 0.00 0.00 175.17 177.09 3ksm n THR 307 N 5.74 0.00 0.00 1.71 -2.24 -0.15 -4.97 114.28 114.37 3ksm n THR 307 Ca 0.07 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3ksm n THR 307 Cb 0.48 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3ksm n THR 307 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ksm n GLY 308 N 1.20 1.45 3.21 3.38 0.00 -1.26 -4.50 105.19 108.67 3ksm n GLY 308 Ca 0.18 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 3ksm n GLY 308 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ksm s VAL 309 N -2.35 0.09 0.18 1.61 0.11 -1.26 -3.91 120.40 114.86 3ksm s VAL 309 Ca 0.00 -0.75 -0.23 0.00 -2.93 0.00 0.00 61.98 58.07 3ksm s VAL 309 Cb 0.00 -0.85 0.06 0.00 -1.53 0.00 0.00 36.38 34.06 3ksm s VAL 309 CO 0.00 -0.41 0.66 0.00 -3.33 0.00 0.00 175.10 172.01 3ksm s ARG 310 N -2.32 1.37 0.14 1.54 1.70 -0.88 -5.00 118.95 115.50 3ksm s ARG 310 Ca -0.07 -0.59 -0.28 0.00 -0.47 0.00 0.00 55.73 54.33 3ksm s ARG 310 Cb -0.02 0.57 -0.07 0.00 -0.57 0.00 0.00 34.95 34.87 3ksm s ARG 310 CO -0.02 -0.61 0.87 -0.51 -1.08 0.00 0.00 175.30 173.95 3ksm s LEU 311 N -2.78 4.55 0.25 -1.89 1.43 -1.26 -0.68 118.68 118.30 3ksm s LEU 311 Ca 0.04 1.72 -0.03 0.00 -1.03 0.00 0.00 54.13 54.83 3ksm s LEU 311 Cb -0.02 -3.45 0.29 0.00 0.03 0.00 0.00 46.19 43.04 3ksm s LEU 311 CO -0.07 0.07 1.76 0.25 0.23 0.00 0.00 176.35 178.58 3ksm h LEU 312 N 4.99 0.85 -9.10 1.79 5.85 -1.01 -3.45 115.31 115.22 3ksm h LEU 312 Ca -0.44 -0.19 -0.46 0.00 0.84 0.00 0.00 57.88 57.63 3ksm h LEU 312 Cb 1.21 -0.22 -0.14 0.00 0.37 0.00 0.00 40.66 41.87 3ksm h LEU 312 CO 0.69 0.87 -0.65 0.00 -0.34 0.00 0.00 178.44 179.02 3ksm s GLN 313 N -5.11 1.53 0.00 1.25 -2.07 -1.26 -5.05 119.66 108.95 3ksm s GLN 313 Ca -0.10 -1.80 0.23 0.00 -1.82 0.00 0.00 55.36 51.86 3ksm s GLN 313 Cb 0.15 -0.92 1.35 0.00 -1.09 0.00 0.00 33.01 32.50 3ksm s GLN 313 CO 0.82 -0.07 1.73 0.39 -1.32 0.00 0.00 175.29 176.83