#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksm n ALA 74 N 0.00 4.53 -1.53 4.61 0.00 -1.26 -4.92 120.51 121.94 2ksm n ALA 74 Ca 0.00 -4.71 0.00 0.00 0.00 0.00 0.00 53.44 48.73 2ksm n ALA 74 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.05 2ksm n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ksm n SER 75 N 2.23 -8.13 -3.89 0.00 7.64 -1.26 -5.06 113.62 105.15 2ksm n SER 75 Ca 0.25 1.11 -0.11 0.00 1.01 0.00 0.00 58.87 61.12 2ksm n SER 75 Cb 0.37 -3.97 -0.12 0.00 -1.01 0.00 0.00 64.21 59.48 2ksm n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ksm s ALA 76 N -1.85 -0.11 0.00 -0.43 0.00 -1.26 -5.09 121.76 113.02 2ksm s ALA 76 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2ksm s ALA 76 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2ksm s ALA 76 CO 0.00 -0.11 0.85 1.28 0.00 0.00 0.00 175.76 177.78 2ksm n LEU 77 N 2.27 0.00 -4.70 0.00 4.32 -1.26 -4.55 117.00 113.08 2ksm n LEU 77 Ca -0.18 0.85 -0.36 0.00 -0.02 0.00 0.00 56.01 56.30 2ksm n LEU 77 Cb 0.57 -0.35 -0.08 0.00 -1.62 0.00 0.00 43.42 41.94 2ksm n LEU 77 CO 0.22 -0.35 -0.14 -0.55 -1.22 0.00 0.00 177.39 175.36 2ksm s SER 78 N -2.28 6.21 0.27 -1.43 0.15 -1.26 -5.09 113.70 110.27 2ksm s SER 78 Ca 0.00 0.23 0.04 0.00 0.70 0.00 0.00 55.95 56.92 2ksm s SER 78 Cb 0.00 -2.12 0.04 0.00 -1.71 0.00 0.00 66.02 62.24 2ksm s SER 78 CO 0.00 0.10 0.35 0.18 1.20 0.00 0.00 173.24 175.07 2ksm n LEU 79 N 3.92 0.00 -4.51 3.45 4.32 -1.26 -4.94 117.00 117.98 2ksm n LEU 79 Ca -0.15 -1.21 -0.35 0.00 -0.02 0.00 0.00 56.01 54.28 2ksm n LEU 79 Cb 0.52 -0.17 -0.16 0.00 -1.62 0.00 0.00 43.42 41.99 2ksm n LEU 79 CO 0.37 -0.57 2.15 -0.24 -1.22 0.00 0.00 177.39 177.87 2ksm n SER 80 N -2.56 0.10 -4.91 -1.43 2.88 -1.26 -4.88 113.62 101.56 2ksm n SER 80 Ca 0.06 -0.11 -0.27 0.00 -1.33 0.00 0.00 58.87 57.23 2ksm n SER 80 Cb 0.29 -0.91 0.01 0.00 -0.75 0.00 0.00 64.21 62.84 2ksm n SER 80 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2ksm s LEU 81 N 7.37 3.53 -0.03 2.46 2.96 -1.26 -4.80 118.68 128.92 2ksm s LEU 81 Ca 1.30 0.81 -0.01 0.00 -0.22 0.00 0.00 54.13 56.01 2ksm s LEU 81 Cb -1.03 -3.72 0.03 0.00 0.50 0.00 0.00 46.19 41.97 2ksm s LEU 81 CO 0.48 -0.71 0.04 -0.22 -1.32 0.00 0.00 176.35 174.62 2ksm s LEU 82 N -4.78 0.67 -0.05 -0.68 2.96 -1.21 -4.44 118.68 111.14 2ksm s LEU 82 Ca 0.49 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 2ksm s LEU 82 Cb -0.10 -0.10 0.02 0.00 0.50 0.00 0.00 46.19 46.50 2ksm s LEU 82 CO 0.44 -0.18 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.78 2ksm s SER 83 N 1.56 1.27 -0.05 3.68 0.01 -1.13 -2.99 113.70 116.05 2ksm s SER 83 Ca -0.03 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.07 2ksm s SER 83 Cb -0.13 -0.57 0.01 0.00 0.21 0.00 0.00 66.02 65.54 2ksm s SER 83 CO -0.03 -0.04 -0.09 -0.63 0.41 0.00 0.00 173.24 172.86 2ksm s ILE 84 N 0.93 0.88 -0.04 1.44 1.01 -0.48 -1.98 121.20 122.96 2ksm s ILE 84 Ca -0.11 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.20 2ksm s ILE 84 Cb -0.15 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.53 2ksm s ILE 84 CO 0.00 0.29 -0.02 -0.94 0.00 0.00 0.00 174.94 174.27 2ksm s SER 85 N 0.59 0.87 -0.13 3.58 1.04 0.23 -1.71 113.70 118.18 2ksm s SER 85 Ca -0.11 -0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.23 2ksm s SER 85 Cb -0.14 -0.36 0.03 0.00 0.10 0.00 0.00 66.02 65.65 2ksm s SER 85 CO 0.02 -0.09 -0.05 -0.60 0.98 0.00 0.00 173.24 173.49 2ksm s ARG 86 N 1.13 1.31 -0.18 4.02 3.52 -1.07 -0.24 118.95 127.44 2ksm s ARG 86 Ca -0.08 -0.28 -0.04 0.00 -0.13 0.00 0.00 55.73 55.19 2ksm s ARG 86 Cb -0.14 -1.64 -0.10 0.00 -1.56 0.00 0.00 34.95 31.51 2ksm s ARG 86 CO -0.01 -0.34 -0.20 -1.13 -0.81 0.00 0.00 175.30 172.81 2ksm n SER 87 N 4.96 1.93 0.00 -2.12 3.41 -0.63 -2.24 113.62 118.93 2ksm n SER 87 Ca -0.11 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2ksm n SER 87 Cb 0.49 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2ksm n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ksm n GLY 88 N 2.22 -0.73 0.25 5.00 0.00 -1.19 -4.06 105.19 106.68 2ksm n GLY 88 Ca -0.34 0.28 0.02 0.00 0.00 0.00 0.00 46.02 45.98 2ksm n GLY 88 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2ksm h ASN 89 N 0.00 0.16 -4.36 1.61 4.21 -1.94 -3.42 115.58 111.85 2ksm h ASN 89 Ca 0.00 0.10 -0.62 0.00 1.21 0.00 0.00 56.30 56.99 2ksm h ASN 89 Cb 0.00 0.11 -0.27 0.00 -1.12 0.00 0.00 38.32 37.03 2ksm h ASN 89 CO 0.00 0.07 -0.86 0.42 -1.29 0.00 0.00 177.43 175.78 2ksm s THR 90 N -6.07 1.78 -0.03 2.81 -4.23 -1.26 0.43 115.64 109.07 2ksm s THR 90 Ca -0.13 -1.14 0.07 0.00 -1.18 0.00 0.00 61.69 59.32 2ksm s THR 90 Cb 0.19 -1.52 -0.02 0.00 1.34 0.00 0.00 72.50 72.49 2ksm s THR 90 CO 0.75 0.35 -0.25 -0.69 -0.54 0.00 0.00 174.62 174.23 2ksm s VAL 91 N -0.69 2.09 -0.24 2.29 1.01 -1.09 -3.54 120.40 120.22 2ksm s VAL 91 Ca 0.09 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 61.00 2ksm s VAL 91 Cb -0.09 -1.73 0.05 0.00 0.00 0.00 0.00 36.38 34.61 2ksm s VAL 91 CO 0.01 0.58 -0.10 -0.89 0.00 0.00 0.00 175.10 174.70 2ksm s THR 92 N -0.45 1.89 -0.10 3.92 2.01 0.66 -1.82 115.64 121.76 2ksm s THR 92 Ca 0.05 -1.37 -0.03 0.00 0.31 0.00 0.00 61.69 60.66 2ksm s THR 92 Cb -0.11 -2.02 0.04 0.00 0.01 0.00 0.00 72.50 70.42 2ksm s THR 92 CO 0.01 0.02 0.04 -0.76 -0.69 0.00 0.00 174.62 173.24 2ksm s LEU 93 N 1.25 0.46 0.16 4.42 1.02 -1.16 0.78 118.68 125.61 2ksm s LEU 93 Ca -0.06 -0.24 0.06 0.00 0.02 0.00 0.00 54.13 53.91 2ksm s LEU 93 Cb -0.19 -0.31 -0.04 0.00 0.02 0.00 0.00 46.19 45.67 2ksm s LEU 93 CO -0.06 -0.26 -0.12 -0.63 0.02 0.00 0.00 176.35 175.29 2ksm s ILE 94 N 2.06 1.40 -5.00 -0.59 1.01 -0.84 -2.14 121.20 117.10 2ksm s ILE 94 Ca 0.04 -2.07 0.00 0.00 0.00 0.00 0.00 60.65 58.61 2ksm s ILE 94 Cb -0.14 -1.88 0.00 0.00 0.01 0.00 0.00 42.46 40.45 2ksm s ILE 94 CO -0.06 -0.65 0.00 0.61 0.00 0.00 0.00 174.94 174.84 2ksm n GLY 95 N -0.17 0.63 2.94 6.18 0.00 -1.23 -2.85 105.19 110.69 2ksm n GLY 95 Ca -0.10 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 2ksm n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ksm s ASP 96 N -4.00 0.36 0.24 1.61 1.01 -1.26 -2.54 116.67 112.09 2ksm s ASP 96 Ca 0.00 -0.18 0.12 0.00 0.71 0.00 0.00 52.55 53.20 2ksm s ASP 96 Cb 0.00 -0.00 -0.05 0.00 1.01 0.00 0.00 42.92 43.88 2ksm s ASP 96 CO 0.00 -0.05 -0.21 -0.36 0.21 0.00 0.00 175.17 174.76 2ksm s PHE 97 N -0.44 2.28 0.06 4.23 0.40 0.87 -4.86 117.98 120.51 2ksm s PHE 97 Ca -0.03 -0.35 -0.16 0.00 -0.60 0.00 0.00 56.93 55.79 2ksm s PHE 97 Cb -0.03 -1.04 -0.19 0.00 0.51 0.00 0.00 43.02 42.26 2ksm s PHE 97 CO -0.00 0.63 1.22 -1.00 0.70 0.00 0.00 175.22 176.76 2ksm h PRO 98 N 2.64 0.61 -5.25 0.24 0.13 -1.85 -0.91 132.00 127.61 2ksm h PRO 98 Ca -0.42 -0.55 -0.52 0.00 -0.87 0.00 0.00 66.00 63.63 2ksm h PRO 98 Cb 1.24 0.13 -0.14 0.00 0.13 0.00 0.00 31.00 32.37 2ksm h PRO 98 CO 0.55 1.17 -0.58 -0.51 -0.23 0.00 0.00 178.00 178.40 2ksm s ASP 99 N -6.92 2.79 -0.14 1.44 1.11 -1.26 -3.67 116.67 110.01 2ksm s ASP 99 Ca -0.12 -1.45 -0.03 0.00 0.18 0.00 0.00 52.55 51.13 2ksm s ASP 99 Cb 0.06 0.02 -0.24 0.00 1.07 0.00 0.00 42.92 43.83 2ksm s ASP 99 CO 0.86 -0.66 0.27 -1.84 1.18 0.00 0.00 175.17 174.98 2ksm n GLU 100 N -0.81 0.73 0.30 8.23 0.28 -1.26 -4.03 120.64 124.08 2ksm n GLU 100 Ca -0.05 0.24 0.15 0.00 -0.16 0.00 0.00 57.16 57.34 2ksm n GLU 100 Cb 0.66 -1.68 0.92 0.00 1.43 0.00 0.00 31.44 32.77 2ksm n GLU 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ksm h ALA 101 N 0.14 1.52 -0.58 -1.84 0.00 -2.02 -1.04 119.26 115.44 2ksm h ALA 101 Ca -0.45 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.62 2ksm h ALA 101 Cb 2.01 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 2ksm h ALA 101 CO 0.05 0.00 0.41 0.00 0.00 0.00 0.00 179.25 179.72 2ksm h ALA 102 N 2.00 2.43 -0.62 0.00 0.00 -2.00 0.14 119.26 121.21 2ksm h ALA 102 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2ksm h ALA 102 Cb 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2ksm h ALA 102 CO 0.00 -0.59 0.18 1.57 0.00 0.00 0.00 179.25 180.41 2ksm h LYS 103 N 0.08 0.94 -0.61 0.00 2.10 -1.42 -2.90 116.57 114.77 2ksm h LYS 103 Ca 0.28 -0.19 0.11 0.00 -2.00 0.00 0.00 60.65 58.85 2ksm h LYS 103 Cb 0.99 -0.14 -0.08 0.00 -0.90 0.00 0.00 32.23 32.09 2ksm h LYS 103 CO -0.02 0.82 0.18 0.00 -2.00 0.00 0.00 179.45 178.42 2ksm h ALA 104 N 1.28 0.76 -0.56 0.07 0.00 -0.87 1.23 119.26 121.18 2ksm h ALA 104 Ca 0.20 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2ksm h ALA 104 Cb 0.28 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2ksm h ALA 104 CO -0.01 -0.26 0.33 0.00 0.00 0.00 0.00 179.25 179.32 2ksm h ALA 105 N 1.46 1.54 0.19 0.00 0.00 -1.56 -0.37 119.26 120.51 2ksm h ALA 105 Ca 0.32 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.84 2ksm h ALA 105 Cb 0.45 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.03 2ksm h ALA 105 CO -0.36 0.40 -1.47 1.25 0.00 0.00 0.00 179.25 179.07 2ksm h LEU 106 N 0.76 0.64 0.22 0.00 6.46 -1.04 -3.35 115.31 119.00 2ksm h LEU 106 Ca 0.20 -0.74 0.00 0.00 -0.12 0.00 0.00 57.88 57.22 2ksm h LEU 106 Cb -0.02 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.69 2ksm h LEU 106 CO -0.04 1.59 -0.19 -0.03 -0.62 0.00 0.00 178.44 179.16 2ksm h MET 107 N 0.11 -0.41 -0.14 1.25 4.05 0.19 0.16 114.93 120.15 2ksm h MET 107 Ca -0.24 0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.25 2ksm h MET 107 Cb 2.09 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 32.98 2ksm h MET 107 CO 0.23 -0.27 0.70 1.79 0.23 0.00 0.00 176.91 179.58 2ksm h THR 108 N -0.43 0.03 0.16 -0.77 1.35 -1.21 1.73 112.91 113.78 2ksm h THR 108 Ca -0.01 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.55 2ksm h THR 108 Cb 0.39 0.33 0.02 0.00 -1.73 0.00 0.00 68.15 67.17 2ksm h THR 108 CO -0.03 0.00 -1.30 0.00 -0.25 0.00 0.00 175.52 173.94 2ksm h ALA 109 N 0.74 0.00 -0.89 6.62 0.00 -1.09 -3.28 119.26 121.36 2ksm h ALA 109 Ca 0.06 -0.83 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 2ksm h ALA 109 Cb 1.46 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 2ksm h ALA 109 CO -0.00 0.79 0.54 -0.07 0.00 0.00 0.00 179.25 180.51 2ksm h LEU 110 N 0.17 1.06 -0.60 0.00 3.38 0.28 -1.83 115.31 117.77 2ksm h LEU 110 Ca -0.19 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.80 2ksm h LEU 110 Cb 1.99 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 2ksm h LEU 110 CO 0.24 0.81 0.93 -1.13 0.09 0.00 0.00 178.44 179.38 2ksm h ASN 111 N 1.22 0.00 0.63 -0.43 -0.73 -1.53 2.50 115.58 117.24 2ksm h ASN 111 Ca 0.32 0.00 -0.27 0.00 1.87 0.00 0.00 56.30 58.22 2ksm h ASN 111 Cb -0.06 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.50 2ksm h ASN 111 CO -0.06 0.00 -1.40 1.23 -0.37 0.00 0.00 177.43 176.83 2ksm h GLY 112 N 0.00 0.14 0.87 1.57 0.00 -1.53 -3.34 103.07 100.78 2ksm h GLY 112 Ca 0.12 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 46.94 2ksm h GLY 112 CO -0.00 0.31 -1.47 1.04 0.00 0.00 0.00 176.54 176.42 2ksm n LEU 113 N -3.34 0.76 -4.37 3.11 7.99 0.79 -4.90 117.00 117.04 2ksm n LEU 113 Ca -0.11 0.33 -0.51 0.00 -0.01 0.00 0.00 56.01 55.71 2ksm n LEU 113 Cb 1.01 0.08 -0.13 0.00 -0.11 0.00 0.00 43.42 44.27 2ksm n LEU 113 CO 0.48 0.13 1.97 -0.11 -1.51 0.00 0.00 177.39 178.35 2ksm n LEU 114 N -2.82 0.55 -4.63 2.23 7.94 0.19 -4.89 117.00 115.57 2ksm n LEU 114 Ca -0.10 0.43 -0.25 0.00 -1.11 0.00 0.00 56.01 54.99 2ksm n LEU 114 Cb 0.82 -0.92 -0.09 0.00 0.53 0.00 0.00 43.42 43.76 2ksm n LEU 114 CO 0.43 -0.75 -0.31 0.00 -1.11 0.00 0.00 177.39 175.65 2ksm s ALA 115 N 7.48 3.19 0.33 1.96 0.00 -1.26 -5.01 121.76 128.43 2ksm s ALA 115 Ca 1.27 -1.97 -0.28 0.00 0.00 0.00 0.00 51.96 50.99 2ksm s ALA 115 Cb -1.37 -0.35 -0.09 0.00 0.00 0.00 0.00 23.12 21.30 2ksm s ALA 115 CO 0.58 0.07 1.14 -1.25 0.00 0.00 0.00 175.76 176.29 2ksm s PRO 116 N -3.71 4.43 0.00 0.00 0.04 -1.26 -2.90 135.00 131.60 2ksm s PRO 116 Ca 0.35 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2ksm s PRO 116 Cb 0.00 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2ksm s PRO 116 CO 0.19 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.65 2ksm n GLY 117 N 0.92 0.23 3.73 0.56 0.00 -1.26 -4.94 105.19 104.43 2ksm n GLY 117 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2ksm n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ksm s VAL 118 N -1.65 3.95 0.01 1.61 0.11 -1.14 -5.01 120.40 118.28 2ksm s VAL 118 Ca 0.00 1.54 -0.01 0.00 -2.93 0.00 0.00 61.98 60.58 2ksm s VAL 118 Cb 0.00 -3.98 -0.04 0.00 -1.53 0.00 0.00 36.38 30.83 2ksm s VAL 118 CO 0.00 0.20 0.14 0.20 -3.33 0.00 0.00 175.10 172.30 2ksm s ASN 119 N 0.46 6.03 -0.03 3.54 -0.87 0.17 -4.94 114.94 119.30 2ksm s ASN 119 Ca 0.54 0.23 0.05 0.00 -1.57 0.00 0.00 52.86 52.10 2ksm s ASN 119 Cb -0.29 -1.81 -0.01 0.00 -0.02 0.00 0.00 41.25 39.12 2ksm s ASN 119 CO 0.32 0.24 -0.16 -0.69 -2.57 0.00 0.00 177.10 174.24 2ksm s VAL 120 N -1.31 1.34 -0.49 1.60 1.01 -1.26 -2.69 120.40 118.60 2ksm s VAL 120 Ca 0.27 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.61 2ksm s VAL 120 Cb -0.12 -1.14 0.18 0.00 0.00 0.00 0.00 36.38 35.30 2ksm s VAL 120 CO 0.19 0.39 0.42 -0.38 0.00 0.00 0.00 175.10 175.71 2ksm n ILE 121 N 2.97 -0.30 -4.03 2.22 5.41 -0.76 -4.93 119.36 119.95 2ksm n ILE 121 Ca -0.17 -3.92 -0.34 0.00 1.00 0.00 0.00 62.75 59.32 2ksm n ILE 121 Cb 0.53 -1.84 -0.15 0.00 -0.71 0.00 0.00 39.64 37.48 2ksm n ILE 121 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 2ksm s ASP 122 N -0.56 3.79 -0.29 4.38 -4.77 -1.26 -3.01 116.67 114.95 2ksm s ASP 122 Ca 0.31 -0.69 0.02 0.00 -3.30 0.00 0.00 52.55 48.89 2ksm s ASP 122 Cb 0.04 -1.59 0.08 0.00 -1.09 0.00 0.00 42.92 40.36 2ksm s ASP 122 CO -0.18 -0.05 0.00 -1.10 0.70 0.00 0.00 175.17 174.55 2ksm s GLN 123 N 1.33 1.50 -0.00 2.11 -1.52 -0.91 -5.01 119.66 117.15 2ksm s GLN 123 Ca 0.03 -1.36 0.06 0.00 -1.95 0.00 0.00 55.36 52.15 2ksm s GLN 123 Cb -0.15 -2.74 -0.03 0.00 -0.22 0.00 0.00 33.01 29.88 2ksm s GLN 123 CO -0.08 -0.78 -0.20 0.42 -0.25 0.00 0.00 175.29 174.40 2ksm s ILE 124 N 1.22 2.63 0.14 1.08 1.01 -1.26 -3.54 121.20 122.49 2ksm s ILE 124 Ca 0.02 -1.03 0.07 0.00 0.00 0.00 0.00 60.65 59.71 2ksm s ILE 124 Cb -0.19 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 2ksm s ILE 124 CO -0.10 0.49 -0.01 -1.00 0.00 0.00 0.00 174.94 174.32 2ksm s HIS 125 N -0.77 2.87 0.12 3.97 3.76 -1.05 -4.92 115.29 119.27 2ksm s HIS 125 Ca 0.12 -0.11 -0.13 0.00 -0.15 0.00 0.00 55.06 54.79 2ksm s HIS 125 Cb -0.10 -1.43 -0.07 0.00 1.11 0.00 0.00 32.58 32.09 2ksm s HIS 125 CO 0.02 0.50 0.51 0.08 -0.85 0.00 0.00 174.74 174.99 2ksm s VAL 126 N -1.56 4.92 -0.51 -0.90 1.01 -1.26 -0.09 120.40 122.01 2ksm s VAL 126 Ca 0.26 0.74 0.07 0.00 0.00 0.00 0.00 61.98 63.05 2ksm s VAL 126 Cb -0.10 -3.72 0.19 0.00 0.00 0.00 0.00 36.38 32.76 2ksm s VAL 126 CO 0.18 0.27 0.70 0.47 0.00 0.00 0.00 175.10 176.72 2ksm n ASP 127 N 0.87 -3.12 0.00 3.32 8.00 -0.34 -4.90 116.55 120.37 2ksm n ASP 127 Ca -0.06 -2.89 0.00 0.00 0.71 0.00 0.00 54.79 52.54 2ksm n ASP 127 Cb 0.52 1.53 0.00 0.00 -0.02 0.00 0.00 41.12 43.15 2ksm n ASP 127 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2ksm n PRO 128 N 2.82 0.00 -0.07 -0.24 -0.02 -1.24 -2.27 135.00 133.98 2ksm n PRO 128 Ca 0.19 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.52 2ksm n PRO 128 Cb 0.56 -1.28 -0.05 0.00 -0.02 0.00 0.00 33.50 32.70 2ksm n PRO 128 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2ksm n VAL 129 N -0.66 0.94 0.00 -1.45 0.31 -1.26 -5.02 118.33 111.18 2ksm n VAL 129 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2ksm n VAL 129 Cb 0.00 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 2ksm n VAL 129 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2ksm n VAL 130 N -3.75 0.00 -3.76 2.52 0.24 -0.96 -5.06 118.33 107.56 2ksm n VAL 130 Ca -0.27 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 61.91 2ksm n VAL 130 Cb 0.65 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.94 2ksm n VAL 130 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2ksm s ARG 131 N -1.08 0.76 0.34 7.34 0.52 -1.26 -4.94 118.95 120.63 2ksm s ARG 131 Ca 0.00 -0.39 -0.05 0.00 -0.52 0.00 0.00 55.73 54.77 2ksm s ARG 131 Cb 0.00 0.33 0.01 0.00 0.52 0.00 0.00 34.95 35.81 2ksm s ARG 131 CO 0.00 -0.23 0.52 -1.54 0.02 0.00 0.00 175.30 174.07 2ksm s SER 132 N -1.79 0.68 0.43 0.23 1.04 -1.26 -4.92 113.70 108.12 2ksm s SER 132 Ca -0.08 -1.38 -0.23 0.00 0.48 0.00 0.00 55.95 54.74 2ksm s SER 132 Cb -0.02 0.68 -0.08 0.00 0.10 0.00 0.00 66.02 66.70 2ksm s SER 132 CO -0.00 -1.34 1.09 -0.22 0.98 0.00 0.00 173.24 173.75 2ksm s LEU 133 N -3.19 4.06 -0.54 2.42 2.96 -1.26 -4.98 118.68 118.15 2ksm s LEU 133 Ca 0.28 2.13 -0.24 0.00 -0.22 0.00 0.00 54.13 56.08 2ksm s LEU 133 Cb -0.01 -4.25 0.04 0.00 0.50 0.00 0.00 46.19 42.47 2ksm s LEU 133 CO 0.18 -0.70 0.95 -1.81 -1.32 0.00 0.00 176.35 173.66 2ksm s ASP 134 N -1.53 6.36 0.00 3.68 1.01 -1.26 -4.87 116.67 120.07 2ksm s ASP 134 Ca 0.61 -0.28 0.28 0.00 0.71 0.00 0.00 52.55 53.87 2ksm s ASP 134 Cb -0.24 -2.44 1.18 0.00 1.01 0.00 0.00 42.92 42.43 2ksm s ASP 134 CO 0.30 -1.22 1.82 0.49 0.21 0.00 0.00 175.17 176.76 2ksm n PHE 135 N 7.49 0.02 -0.55 4.23 3.01 -1.26 -4.22 117.46 126.18 2ksm n PHE 135 Ca 0.03 -0.01 0.45 0.00 1.01 0.00 0.00 57.45 58.92 2ksm n PHE 135 Cb 0.48 0.00 0.77 0.00 -0.01 0.00 0.00 39.48 40.71 2ksm n PHE 135 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2ksm h SER 136 N 1.84 0.06 -0.53 4.37 0.02 -1.89 1.78 113.55 119.20 2ksm h SER 136 Ca 0.00 0.03 -0.35 0.00 -0.84 0.00 0.00 61.79 60.63 2ksm h SER 136 Cb 0.39 0.02 -0.23 0.00 0.14 0.00 0.00 62.40 62.73 2ksm h SER 136 CO 0.00 -0.03 -0.23 -0.24 -1.14 0.00 0.00 176.83 175.19 2ksm n SER 137 N -4.16 3.87 0.14 3.07 2.88 -1.26 -4.57 113.62 113.59 2ksm n SER 137 Ca 0.38 -3.79 0.10 0.00 -1.33 0.00 0.00 58.87 54.22 2ksm n SER 137 Cb 1.68 -0.58 0.05 0.00 -0.75 0.00 0.00 64.21 64.61 2ksm n SER 137 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ksm h ALA 138 N 1.51 0.70 0.49 -1.46 0.00 0.25 -3.28 119.26 117.46 2ksm h ALA 138 Ca 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2ksm h ALA 138 Cb 1.45 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2ksm h ALA 138 CO 0.64 0.14 -0.31 0.93 0.00 0.00 0.00 179.25 180.65 2ksm h GLU 139 N 0.00 -0.73 -1.00 0.00 5.08 -1.74 1.61 114.58 117.79 2ksm h GLU 139 Ca -0.02 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.56 2ksm h GLU 139 Cb 1.09 0.17 -0.10 0.00 0.50 0.00 0.00 28.75 30.41 2ksm h GLU 139 CO 0.01 -0.49 0.62 -1.00 -1.00 0.00 0.00 179.01 177.15 2ksm h PRO 140 N -0.76 0.80 0.14 2.33 0.13 -1.93 0.87 132.00 133.58 2ksm h PRO 140 Ca -0.05 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 2ksm h PRO 140 Cb 0.63 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2ksm h PRO 140 CO 0.05 0.53 -0.07 0.28 -0.23 0.00 0.00 178.00 178.56 2ksm h VAL 141 N 0.83 0.00 -1.04 1.56 2.07 -1.37 -2.54 116.25 115.76 2ksm h VAL 141 Ca 0.54 -0.23 0.30 0.00 0.82 0.00 0.00 66.70 68.13 2ksm h VAL 141 Cb 0.77 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.41 2ksm h VAL 141 CO -0.33 0.00 0.62 -0.26 0.02 0.00 0.00 177.57 177.62 2ksm h PHE 142 N -0.41 0.88 -0.23 1.57 -1.00 0.25 1.70 116.94 119.69 2ksm h PHE 142 Ca -0.02 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 2ksm h PHE 142 Cb 0.14 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 2ksm h PHE 142 CO 0.05 -0.06 0.08 1.79 -1.61 0.00 0.00 178.31 178.57 2ksm h THR 143 N 0.40 1.10 0.00 -1.55 1.35 0.71 0.13 112.91 115.06 2ksm h THR 143 Ca 0.69 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 66.22 2ksm h THR 143 Cb 1.57 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 2ksm h THR 143 CO -0.49 0.12 0.00 0.00 -0.25 0.00 0.00 175.52 174.90 2ksm h ALA 144 N 1.77 1.00 -0.20 6.62 0.00 0.30 -2.73 119.26 126.01 2ksm h ALA 144 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ksm h ALA 144 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ksm h ALA 144 CO -0.01 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.11 2ksm n SER 145 N -2.68 2.89 -0.03 0.00 3.41 0.30 -4.59 113.62 112.92 2ksm n SER 145 Ca 0.03 -1.85 -0.10 0.00 -0.26 0.00 0.00 58.87 56.69 2ksm n SER 145 Cb 0.35 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 2ksm n SER 145 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2ksm h VAL 146 N 3.60 0.30 0.00 -3.33 2.07 -0.83 -0.77 116.25 117.28 2ksm h VAL 146 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2ksm h VAL 146 Cb 0.82 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2ksm h VAL 146 CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 2ksm n PRO 147 N -5.40 0.14 -3.41 1.57 -0.04 -1.26 -3.83 135.00 122.76 2ksm n PRO 147 Ca -0.02 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.17 2ksm n PRO 147 Cb 0.32 -1.06 -0.10 0.00 -0.04 0.00 0.00 33.50 32.61 2ksm n PRO 147 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ksm s ILE 148 N -1.07 0.35 -2.00 0.52 1.01 -0.30 -4.96 121.20 114.75 2ksm s ILE 148 Ca 0.00 -2.55 0.06 0.00 0.00 0.00 0.00 60.65 58.16 2ksm s ILE 148 Cb 0.00 -1.26 0.17 0.00 0.01 0.00 0.00 42.46 41.38 2ksm s ILE 148 CO 0.00 -1.20 1.06 -0.81 0.00 0.00 0.00 174.94 173.99 2ksm n PRO 149 N 2.99 0.81 -0.85 2.79 -0.04 -1.25 -2.92 135.00 136.53 2ksm n PRO 149 Ca 0.27 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.74 2ksm n PRO 149 Cb 0.46 -1.12 0.18 0.00 -0.04 0.00 0.00 33.50 32.98 2ksm n PRO 149 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2ksm n ASP 150 N -0.62 2.29 -4.55 3.54 -0.08 -1.11 -1.61 116.55 114.41 2ksm n ASP 150 Ca 0.05 -3.88 -0.30 0.00 -1.51 0.00 0.00 54.79 49.14 2ksm n ASP 150 Cb 0.02 -0.50 -0.10 0.00 2.34 0.00 0.00 41.12 42.88 2ksm n ASP 150 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2ksm s PHE 151 N -3.30 2.71 0.15 -0.67 -0.71 -0.95 -3.44 117.98 111.76 2ksm s PHE 151 Ca 0.40 -0.17 0.09 0.00 -1.04 0.00 0.00 56.93 56.22 2ksm s PHE 151 Cb 0.38 -1.44 -0.04 0.00 -1.21 0.00 0.00 43.02 40.71 2ksm s PHE 151 CO -0.05 0.40 -0.21 0.20 -1.34 0.00 0.00 175.22 174.22 2ksm s GLY 152 N -2.04 1.43 -0.08 1.99 0.00 -0.47 -2.59 107.32 105.55 2ksm s GLY 152 Ca 0.20 -1.45 0.04 0.00 0.00 0.00 0.00 44.72 43.51 2ksm s GLY 152 CO 0.12 -1.47 -0.23 -2.27 0.00 0.00 0.00 173.10 169.25 2ksm s LEU 153 N -2.38 2.03 -0.04 0.66 1.98 -0.70 -3.19 118.68 117.04 2ksm s LEU 153 Ca 0.14 -0.51 0.01 0.00 -2.89 0.00 0.00 54.13 50.88 2ksm s LEU 153 Cb -0.08 -1.31 0.02 0.00 0.66 0.00 0.00 46.19 45.48 2ksm s LEU 153 CO 0.06 0.16 -0.03 -0.75 -1.89 0.00 0.00 176.35 173.91 2ksm s LYS 154 N 0.24 0.65 -0.05 1.98 2.20 -0.92 -1.38 119.74 122.46 2ksm s LYS 154 Ca -0.14 -0.03 0.06 0.00 -0.36 0.00 0.00 55.97 55.50 2ksm s LYS 154 Cb -0.16 -0.75 -0.02 0.00 -1.51 0.00 0.00 37.83 35.39 2ksm s LYS 154 CO 0.07 -0.12 -0.23 0.08 -0.36 0.00 0.00 175.35 174.79 2ksm s VAL 155 N 1.04 2.26 0.00 4.02 1.01 -1.16 -0.20 120.40 127.37 2ksm s VAL 155 Ca -0.09 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.88 2ksm s VAL 155 Cb -0.14 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.42 2ksm s VAL 155 CO -0.01 0.57 0.00 -0.62 0.00 0.00 0.00 175.10 175.05 2ksm n GLU 156 N 2.70 3.96 0.04 2.72 1.02 0.25 -3.32 120.64 128.01 2ksm n GLU 156 Ca -0.17 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 56.96 2ksm n GLU 156 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.93 2ksm n GLU 156 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ksm h ARG 157 N 0.00 -0.10 0.00 3.49 3.08 -1.95 -3.40 114.38 115.51 2ksm h ARG 157 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ksm h ARG 157 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2ksm h ARG 157 CO 0.00 -0.06 -0.01 -0.25 -1.07 0.00 0.00 179.97 178.58 2ksm n ASP 158 N -2.45 2.07 -4.41 7.04 8.00 -1.26 -5.02 116.55 120.52 2ksm n ASP 158 Ca -0.01 -2.39 -0.20 0.00 0.71 0.00 0.00 54.79 52.89 2ksm n ASP 158 Cb 0.04 -0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 40.87 2ksm n ASP 158 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ksm s THR 159 N -1.67 1.54 -0.03 -3.53 2.01 -1.26 -4.09 115.64 108.60 2ksm s THR 159 Ca 0.12 -2.11 0.01 0.00 0.31 0.00 0.00 61.69 60.02 2ksm s THR 159 Cb 0.10 -2.42 0.02 0.00 0.01 0.00 0.00 72.50 70.22 2ksm s THR 159 CO 0.01 -0.31 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.92 2ksm s VAL 160 N -3.08 0.34 0.03 3.82 1.01 0.27 -0.59 120.40 122.20 2ksm s VAL 160 Ca 0.29 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.33 2ksm s VAL 160 Cb 0.04 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 2ksm s VAL 160 CO 0.11 0.18 -0.20 -0.89 0.00 0.00 0.00 175.10 174.30 2ksm s THR 161 N 0.94 2.66 -0.10 3.92 2.01 0.72 -0.57 115.64 125.22 2ksm s THR 161 Ca -0.11 -1.19 0.02 0.00 0.31 0.00 0.00 61.69 60.72 2ksm s THR 161 Cb -0.14 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.29 2ksm s THR 161 CO -0.01 0.37 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.92 2ksm s LEU 162 N -1.33 1.74 -0.03 4.42 0.20 0.07 -2.17 118.68 121.58 2ksm s LEU 162 Ca 0.14 -0.41 -0.01 0.00 0.69 0.00 0.00 54.13 54.54 2ksm s LEU 162 Cb -0.10 -1.06 0.03 0.00 -0.43 0.00 0.00 46.19 44.63 2ksm s LEU 162 CO 0.04 0.04 0.05 0.42 -0.29 0.00 0.00 176.35 176.61 2ksm s THR 163 N 0.83 -0.07 -0.25 3.68 -4.23 -1.19 -2.37 115.64 112.04 2ksm s THR 163 Ca -0.10 0.24 -0.17 0.00 -1.18 0.00 0.00 61.69 60.48 2ksm s THR 163 Cb -0.15 -0.11 0.07 0.00 1.34 0.00 0.00 72.50 73.65 2ksm s THR 163 CO 0.01 0.10 0.63 -0.83 -0.54 0.00 0.00 174.62 173.99 2ksm s GLY 164 N 1.23 -0.55 -0.12 3.99 0.00 -1.26 -1.37 107.32 109.23 2ksm s GLY 164 Ca -0.07 2.11 -0.29 0.00 0.00 0.00 0.00 44.72 46.46 2ksm s GLY 164 CO -0.03 2.05 1.50 -1.59 0.00 0.00 0.00 173.10 175.03 2ksm s THR 165 N 1.23 3.86 -0.45 0.90 2.01 -1.22 -4.38 115.64 117.59 2ksm s THR 165 Ca -0.07 1.03 0.02 0.00 0.31 0.00 0.00 61.69 62.98 2ksm s THR 165 Cb -0.05 -3.70 0.15 0.00 0.01 0.00 0.00 72.50 68.90 2ksm s THR 165 CO -0.13 -0.13 0.29 0.00 -0.69 0.00 0.00 174.62 173.96 2ksm s ALA 166 N 4.01 1.94 -1.04 7.40 0.00 -1.26 -4.85 121.76 127.95 2ksm s ALA 166 Ca 0.66 -2.57 0.00 0.00 0.00 0.00 0.00 51.96 50.05 2ksm s ALA 166 Cb -0.28 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.05 2ksm s ALA 166 CO 0.24 -2.06 0.37 -2.30 0.00 0.00 0.00 175.76 172.02 2ksm n PRO 167 N 3.29 0.00 0.00 0.00 -0.02 -1.26 -4.37 135.00 132.64 2ksm n PRO 167 Ca 0.16 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2ksm n PRO 167 Cb 0.38 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 2ksm n PRO 167 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ksm n SER 168 N -0.87 0.00 0.00 2.55 2.88 -1.26 -5.01 113.62 111.90 2ksm n SER 168 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2ksm n SER 168 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2ksm n SER 168 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2ksm n SER 169 N 0.00 0.00 0.22 -3.46 3.41 -1.26 -4.90 113.62 107.63 2ksm n SER 169 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 2ksm n SER 169 Cb 0.00 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.37 2ksm n SER 169 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2ksm h GLU 170 N 0.00 0.00 -0.37 4.33 5.08 -2.00 0.12 114.58 121.73 2ksm h GLU 170 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 2ksm h GLU 170 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2ksm h GLU 170 CO 0.00 0.00 0.74 1.25 -1.00 0.00 0.00 179.01 180.00 2ksm h HIS 171 N 0.00 0.00 0.00 4.33 2.76 -1.96 1.69 115.15 121.97 2ksm h HIS 171 Ca 0.10 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.10 2ksm h HIS 171 Cb 1.61 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.55 2ksm h HIS 171 CO 0.00 0.00 -0.83 -0.22 -1.30 0.00 0.00 177.93 175.58 2ksm h LYS 172 N 0.00 0.00 0.18 5.26 3.11 -1.15 -3.35 116.57 120.62 2ksm h LYS 172 Ca 0.18 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 58.03 2ksm h LYS 172 Cb 1.66 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.85 2ksm h LYS 172 CO -0.00 0.80 -0.42 0.22 -2.81 0.00 0.00 179.45 177.24 2ksm h ASP 173 N 0.00 -1.21 -0.72 4.20 3.58 0.24 0.06 116.42 122.57 2ksm h ASP 173 Ca -0.01 0.13 0.09 0.00 0.42 0.00 0.00 57.03 57.66 2ksm h ASP 173 Cb 1.63 0.44 -0.07 0.00 1.72 0.00 0.00 39.33 43.05 2ksm h ASP 173 CO 0.10 -0.50 0.37 0.00 -2.88 0.00 0.00 179.24 176.33 2ksm h ALA 174 N -0.24 1.00 -0.57 -0.78 0.00 -1.70 0.31 119.26 117.28 2ksm h ALA 174 Ca 0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2ksm h ALA 174 Cb 0.69 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2ksm h ALA 174 CO -0.21 -0.02 0.29 0.28 0.00 0.00 0.00 179.25 179.59 2ksm h VAL 175 N 0.63 1.20 -0.11 0.00 2.07 -1.59 -0.32 116.25 118.13 2ksm h VAL 175 Ca 0.35 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 2ksm h VAL 175 Cb 0.36 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2ksm h VAL 175 CO -0.26 0.22 -0.12 0.50 0.02 0.00 0.00 177.57 177.93 2ksm h LYS 176 N 0.77 0.27 -0.74 1.57 3.11 -0.15 -2.87 116.57 118.53 2ksm h LYS 176 Ca 0.20 -0.15 0.02 0.00 -2.81 0.00 0.00 60.65 57.91 2ksm h LYS 176 Cb 0.09 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.29 2ksm h LYS 176 CO -0.03 0.69 0.48 -0.09 -2.81 0.00 0.00 179.45 177.69 2ksm h ARG 177 N -0.13 0.92 -0.97 1.90 2.43 -0.34 -0.50 114.38 117.67 2ksm h ARG 177 Ca 0.02 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2ksm h ARG 177 Cb 0.65 -0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 29.93 2ksm h ARG 177 CO 0.03 0.61 0.63 0.00 -1.51 0.00 0.00 179.97 179.73 2ksm h ALA 178 N 1.30 1.31 -0.12 2.80 0.00 -1.06 -2.41 119.26 121.09 2ksm h ALA 178 Ca 0.29 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 2ksm h ALA 178 Cb -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2ksm h ALA 178 CO -0.09 0.47 -0.22 0.00 0.00 0.00 0.00 179.25 179.41 2ksm h ALA 179 N 1.42 0.19 -0.47 0.00 0.00 -1.15 -3.06 119.26 116.19 2ksm h ALA 179 Ca 0.40 -0.38 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2ksm h ALA 179 Cb 0.07 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 2ksm h ALA 179 CO -0.15 0.14 -0.10 1.79 0.00 0.00 0.00 179.25 180.94 2ksm h THR 180 N -0.06 0.55 0.00 0.00 1.35 -0.79 0.34 112.91 114.30 2ksm h THR 180 Ca 0.01 -0.01 -0.03 0.00 -0.55 0.00 0.00 66.41 65.84 2ksm h THR 180 Cb 0.80 0.53 -0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2ksm h THR 180 CO 0.05 0.00 -0.12 0.77 -0.25 0.00 0.00 175.52 175.97 2ksm h SER 181 N 0.02 0.00 0.46 5.36 4.64 -1.51 -1.72 113.55 120.81 2ksm h SER 181 Ca 0.23 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.25 2ksm h SER 181 Cb 0.35 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 2ksm h SER 181 CO -0.47 0.12 -1.71 0.71 -0.87 0.00 0.00 176.83 174.61 2ksm h THR 182 N 0.00 0.85 -2.10 2.95 1.35 -0.88 -3.41 112.91 111.68 2ksm h THR 182 Ca -0.00 -2.69 -0.54 0.00 -0.55 0.00 0.00 66.41 62.63 2ksm h THR 182 Cb 0.40 2.45 -0.41 0.00 -1.73 0.00 0.00 68.15 68.87 2ksm h THR 182 CO 0.02 0.56 -0.95 0.79 -0.25 0.00 0.00 175.52 175.68 2ksm n TRP 183 N -3.12 1.52 -0.08 4.73 8.01 0.99 -4.95 117.44 124.54 2ksm n TRP 183 Ca -0.18 -3.85 -0.10 0.00 -1.31 0.00 0.00 57.50 52.05 2ksm n TRP 183 Cb 1.05 -0.44 0.04 0.00 -2.01 0.00 0.00 31.31 29.95 2ksm n TRP 183 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2ksm h PRO 184 N 3.40 0.80 -0.00 -0.99 0.13 -1.54 -2.95 132.00 130.85 2ksm h PRO 184 Ca 0.12 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2ksm h PRO 184 Cb 0.79 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2ksm h PRO 184 CO 0.62 1.02 -0.08 -0.40 -0.23 0.00 0.00 178.00 178.93 2ksm n ASP 185 N -4.06 0.12 -4.54 1.44 5.68 -1.26 -4.69 116.55 109.24 2ksm n ASP 185 Ca -0.01 0.16 -0.38 0.00 -0.50 0.00 0.00 54.79 54.06 2ksm n ASP 185 Cb 0.51 -0.31 -0.11 0.00 -1.14 0.00 0.00 41.12 40.06 2ksm n ASP 185 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 2ksm s MET 186 N -2.86 3.82 -0.03 0.11 1.75 -1.11 -5.04 119.30 115.94 2ksm s MET 186 Ca 0.18 -0.39 -0.35 0.00 -1.25 0.00 0.00 55.69 53.87 2ksm s MET 186 Cb 0.19 -3.56 -0.14 0.00 2.84 0.00 0.00 34.83 34.17 2ksm s MET 186 CO 0.53 -0.20 1.70 1.63 -0.65 0.00 0.00 175.02 178.04 2ksm n LYS 187 N 5.02 1.87 -4.36 4.11 5.02 -1.26 -4.79 118.16 123.76 2ksm n LYS 187 Ca -0.15 0.68 -0.33 0.00 -2.02 0.00 0.00 58.31 56.49 2ksm n LYS 187 Cb 0.52 -2.45 -0.16 0.00 -0.02 0.00 0.00 35.03 32.92 2ksm n LYS 187 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2ksm s ILE 188 N 2.61 2.17 -0.31 -0.18 1.01 -1.26 0.95 121.20 126.20 2ksm s ILE 188 Ca 0.89 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 60.65 2ksm s ILE 188 Cb -0.79 -1.90 0.09 0.00 0.01 0.00 0.00 42.46 39.87 2ksm s ILE 188 CO 0.49 0.54 -0.00 0.68 0.00 0.00 0.00 174.94 176.65 2ksm s VAL 189 N 1.07 2.12 -0.53 2.92 -7.23 0.27 -5.00 120.40 114.02 2ksm s VAL 189 Ca -0.01 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.06 2ksm s VAL 189 Cb -0.14 -2.45 0.14 0.00 0.56 0.00 0.00 36.38 34.48 2ksm s VAL 189 CO -0.07 -0.40 0.41 0.20 -0.31 0.00 0.00 175.10 174.93 2ksm s ASN 190 N 1.03 5.79 -0.69 4.85 -0.87 -1.26 -0.75 114.94 123.05 2ksm s ASN 190 Ca 0.04 -2.10 -0.03 0.00 -1.57 0.00 0.00 52.86 49.21 2ksm s ASN 190 Cb -0.19 -2.03 0.17 0.00 -0.02 0.00 0.00 41.25 39.19 2ksm s ASN 190 CO -0.08 -0.66 0.52 0.54 -2.57 0.00 0.00 177.10 174.85 2ksm s ASN 191 N 2.46 5.39 0.23 -1.22 6.03 -1.00 -4.97 114.94 121.86 2ksm s ASN 191 Ca 0.08 -3.07 -0.13 0.00 -1.03 0.00 0.00 52.86 48.71 2ksm s ASN 191 Cb -0.24 -1.86 -0.08 0.00 -3.03 0.00 0.00 41.25 36.04 2ksm s ASN 191 CO -0.02 -0.32 0.61 -0.63 -2.03 0.00 0.00 177.10 174.71 2ksm s ILE 192 N -0.38 4.82 -0.02 0.54 1.01 -1.26 -4.75 121.20 121.17 2ksm s ILE 192 Ca 0.19 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.58 2ksm s ILE 192 Cb -0.17 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.66 2ksm s ILE 192 CO -0.05 0.00 0.01 -0.70 0.00 0.00 0.00 174.94 174.20 2ksm s GLU 193 N -2.57 0.09 -0.23 2.79 2.56 -1.26 -5.05 118.70 115.03 2ksm s GLU 193 Ca 0.46 0.09 -0.29 0.00 0.00 0.00 0.00 54.97 55.24 2ksm s GLU 193 Cb -0.12 -0.27 -0.01 0.00 2.00 0.00 0.00 34.13 35.73 2ksm s GLU 193 CO 0.20 -0.11 1.32 0.14 -0.56 0.00 0.00 175.26 176.25 2ksm s VAL 194 N 0.76 4.15 -0.29 3.70 -7.23 -1.26 -4.29 120.40 115.94 2ksm s VAL 194 Ca -0.07 1.35 0.01 0.00 -1.81 0.00 0.00 61.98 61.46 2ksm s VAL 194 Cb -0.10 -4.03 0.06 0.00 0.56 0.00 0.00 36.38 32.87 2ksm s VAL 194 CO -0.02 -0.30 -0.03 0.42 -0.31 0.00 0.00 175.10 174.86 2ksm s THR 195 N 4.05 2.59 0.00 5.32 -4.23 -1.26 -4.82 115.64 117.29 2ksm s THR 195 Ca 0.57 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 2ksm s THR 195 Cb -0.20 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2ksm s THR 195 CO 0.20 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 2ksm n GLY 196 N 4.50 -2.00 6.28 3.99 0.00 -1.26 -4.88 105.19 111.82 2ksm n GLY 196 Ca -0.11 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2ksm n GLY 196 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ksm n GLN 197 N 0.00 0.00 -2.45 1.61 1.13 -1.26 -4.41 117.38 112.00 2ksm n GLN 197 Ca 0.00 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.79 2ksm n GLN 197 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 2ksm n GLN 197 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ksm s ALA 198 N -1.00 3.32 0.73 -1.58 0.00 -1.26 -5.07 121.76 116.91 2ksm s ALA 198 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 2ksm s ALA 198 Cb 0.00 -2.65 0.03 0.00 0.00 0.00 0.00 23.12 20.50 2ksm s ALA 198 CO 0.00 -0.58 1.08 -1.25 0.00 0.00 0.00 175.76 175.01 2ksm s PRO 199 N -4.90 2.60 0.30 0.00 0.04 -1.26 -4.92 135.00 126.86 2ksm s PRO 199 Ca 0.51 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.64 2ksm s PRO 199 Cb -0.10 -1.94 0.74 0.00 0.04 0.00 0.00 34.50 33.24 2ksm s PRO 199 CO 0.46 -1.37 1.58 -1.35 0.04 0.00 0.00 177.00 176.36 2ksm h PRO 200 N -0.90 0.02 -4.38 0.56 0.11 -1.97 -3.46 132.00 121.98 2ksm h PRO 200 Ca -0.44 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 2ksm h PRO 200 Cb 1.22 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 32.35 2ksm h PRO 200 CO 0.54 0.02 -0.09 0.41 -0.21 0.00 0.00 178.00 178.66 2ksm n GLY 201 N -1.48 -0.74 3.42 -0.55 0.00 -1.26 -4.98 105.19 99.60 2ksm n GLY 201 Ca 0.23 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 2ksm n GLY 201 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ksm n PRO 202 N -1.64 -0.19 0.00 1.61 -0.02 -1.26 -5.30 135.00 128.19 2ksm n PRO 202 Ca -0.01 -0.01 0.09 0.00 -2.02 0.00 0.00 63.50 61.55 2ksm n PRO 202 Cb 0.51 -1.84 0.51 0.00 -0.02 0.00 0.00 33.50 32.66 2ksm n PRO 202 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13