#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksm s ALA 74 N 0.00 -0.13 0.04 4.61 0.00 -1.26 -5.18 121.76 119.84 2ksm s ALA 74 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2ksm s ALA 74 Cb 0.00 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 2ksm s ALA 74 CO 0.00 -0.56 -0.08 0.45 0.00 0.00 0.00 175.76 175.57 2ksm s SER 75 N -2.90 0.87 0.50 0.00 0.15 -1.26 -5.14 113.70 105.92 2ksm s SER 75 Ca 0.10 -0.51 -0.22 0.00 0.70 0.00 0.00 55.95 56.01 2ksm s SER 75 Cb 0.04 0.02 -0.06 0.00 -1.71 0.00 0.00 66.02 64.32 2ksm s SER 75 CO -0.07 -0.18 1.26 0.00 1.20 0.00 0.00 173.24 175.46 2ksm s ALA 76 N -1.27 2.89 0.00 5.45 0.00 -1.26 -4.95 121.76 122.62 2ksm s ALA 76 Ca -0.09 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.01 2ksm s ALA 76 Cb -0.09 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2ksm s ALA 76 CO 0.00 -1.02 0.00 1.28 0.00 0.00 0.00 175.76 176.02 2ksm n LEU 77 N -0.77 0.00 -3.85 0.00 4.77 -1.26 -5.15 117.00 110.75 2ksm n LEU 77 Ca 0.09 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 2ksm n LEU 77 Cb 0.46 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 2ksm n LEU 77 CO 0.50 -0.18 -0.19 -0.55 -1.33 0.00 0.00 177.39 175.64 2ksm s SER 78 N -0.88 -0.06 -0.06 -1.43 0.15 -1.26 -5.01 113.70 105.14 2ksm s SER 78 Ca 0.00 0.03 -0.11 0.00 0.70 0.00 0.00 55.95 56.57 2ksm s SER 78 Cb 0.00 0.26 -0.05 0.00 -1.71 0.00 0.00 66.02 64.52 2ksm s SER 78 CO 0.00 -0.22 0.28 -0.76 1.20 0.00 0.00 173.24 173.74 2ksm s LEU 79 N -0.70 4.42 0.12 3.45 1.02 -1.03 -4.60 118.68 121.37 2ksm s LEU 79 Ca -0.08 0.71 -0.31 0.00 0.02 0.00 0.00 54.13 54.47 2ksm s LEU 79 Cb -0.05 -2.34 -0.10 0.00 0.02 0.00 0.00 46.19 43.72 2ksm s LEU 79 CO 0.01 0.35 1.72 -0.94 0.02 0.00 0.00 176.35 177.50 2ksm s SER 80 N -0.94 6.50 0.45 2.29 1.04 0.35 -4.09 113.70 119.29 2ksm s SER 80 Ca 0.19 2.67 -0.25 0.00 0.48 0.00 0.00 55.95 59.04 2ksm s SER 80 Cb -0.14 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.32 2ksm s SER 80 CO 0.08 -0.94 1.35 -0.11 0.98 0.00 0.00 173.24 174.61 2ksm n LEU 81 N 5.15 4.65 -4.07 2.42 0.00 -1.26 -4.74 117.00 119.14 2ksm n LEU 81 Ca 0.16 1.10 -0.16 0.00 0.00 0.00 0.00 56.01 57.11 2ksm n LEU 81 Cb 0.38 -1.55 -0.12 0.00 0.00 0.00 0.00 43.42 42.13 2ksm n LEU 81 CO 0.64 -0.44 -0.42 -0.76 0.00 0.00 0.00 177.39 176.40 2ksm s LEU 82 N -2.29 2.20 -0.04 -1.96 1.02 -1.07 -4.48 118.68 112.05 2ksm s LEU 82 Ca 0.62 -0.46 -0.00 0.00 0.02 0.00 0.00 54.13 54.31 2ksm s LEU 82 Cb -0.47 -0.31 0.03 0.00 0.02 0.00 0.00 46.19 45.45 2ksm s LEU 82 CO 0.57 -0.10 0.01 -0.55 0.02 0.00 0.00 176.35 176.30 2ksm s SER 83 N -1.26 0.93 -0.08 2.29 0.15 -1.14 -3.04 113.70 111.56 2ksm s SER 83 Ca -0.05 -0.04 -0.03 0.00 0.70 0.00 0.00 55.95 56.54 2ksm s SER 83 Cb -0.08 -0.30 0.04 0.00 -1.71 0.00 0.00 66.02 63.97 2ksm s SER 83 CO 0.01 -0.15 0.08 -0.63 1.20 0.00 0.00 173.24 173.75 2ksm s ILE 84 N 1.47 -0.12 -0.03 6.45 1.01 -0.92 -2.27 121.20 126.79 2ksm s ILE 84 Ca -0.03 0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.96 2ksm s ILE 84 Cb -0.13 -0.27 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 2ksm s ILE 84 CO -0.03 0.06 -0.25 -0.55 0.00 0.00 0.00 174.94 174.17 2ksm s SER 85 N 2.17 3.13 -0.16 3.58 0.15 -0.26 -1.66 113.70 120.65 2ksm s SER 85 Ca 0.04 -0.46 -0.05 0.00 0.70 0.00 0.00 55.95 56.19 2ksm s SER 85 Cb -0.13 -0.46 0.06 0.00 -1.71 0.00 0.00 66.02 63.78 2ksm s SER 85 CO -0.05 0.31 0.09 -0.13 1.20 0.00 0.00 173.24 174.66 2ksm s ARG 86 N -0.55 0.05 -0.35 5.44 0.52 -0.91 -2.49 118.95 120.67 2ksm s ARG 86 Ca 0.08 -0.03 -0.01 0.00 -0.52 0.00 0.00 55.73 55.26 2ksm s ARG 86 Cb -0.11 -1.69 0.28 0.00 0.52 0.00 0.00 34.95 33.95 2ksm s ARG 86 CO -0.00 -0.64 1.21 -1.13 0.02 0.00 0.00 175.30 174.76 2ksm n SER 87 N 5.28 -1.51 0.00 0.23 3.41 -1.06 -1.55 113.62 118.43 2ksm n SER 87 Ca -0.07 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 2ksm n SER 87 Cb 0.49 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 65.36 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 1.41 3.18 0.37 5.00 0.00 -1.26 -4.92 105.19 108.96 2ksm n GLY 88 Ca 0.02 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.17 2ksm n GLY 88 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2ksm h ASN 89 N 0.00 0.00 -2.74 1.61 -0.73 -1.96 -3.39 115.58 108.37 2ksm h ASN 89 Ca 0.00 0.00 -0.60 0.00 1.87 0.00 0.00 56.30 57.57 2ksm h ASN 89 Cb 0.00 0.00 -0.12 0.00 0.27 0.00 0.00 38.32 38.47 2ksm h ASN 89 CO 0.00 0.00 -0.68 0.42 -0.37 0.00 0.00 177.43 176.80 2ksm s THR 90 N -4.18 3.41 0.02 -3.57 -4.23 -1.26 -3.25 115.64 102.58 2ksm s THR 90 Ca -0.02 -1.67 0.09 0.00 -1.18 0.00 0.00 61.69 58.91 2ksm s THR 90 Cb 0.07 -2.73 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 2ksm s THR 90 CO 0.24 -0.18 -0.26 -0.69 -0.54 0.00 0.00 174.62 173.19 2ksm s VAL 91 N -1.89 2.16 -0.23 2.29 1.01 -1.16 -4.43 120.40 118.16 2ksm s VAL 91 Ca 0.27 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2ksm s VAL 91 Cb -0.08 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.54 2ksm s VAL 91 CO 0.17 0.44 -0.08 -0.89 0.00 0.00 0.00 175.10 174.75 2ksm s THR 92 N -0.74 1.65 -0.15 3.92 2.01 -1.04 -2.48 115.64 118.80 2ksm s THR 92 Ca 0.11 -1.21 -0.04 0.00 0.31 0.00 0.00 61.69 60.86 2ksm s THR 92 Cb -0.10 -1.83 0.05 0.00 0.01 0.00 0.00 72.50 70.63 2ksm s THR 92 CO 0.01 -0.01 0.08 -0.76 -0.69 0.00 0.00 174.62 173.25 2ksm s LEU 93 N 1.36 0.39 -0.05 4.42 1.02 -1.18 -1.11 118.68 123.54 2ksm s LEU 93 Ca -0.05 -0.49 0.03 0.00 0.02 0.00 0.00 54.13 53.64 2ksm s LEU 93 Cb -0.18 -0.26 0.00 0.00 0.02 0.00 0.00 46.19 45.77 2ksm s LEU 93 CO -0.07 -0.32 -0.14 -0.63 0.02 0.00 0.00 176.35 175.22 2ksm s ILE 94 N 2.11 1.18 0.00 -0.59 1.01 -0.96 -2.42 121.20 121.53 2ksm s ILE 94 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2ksm s ILE 94 Cb -0.15 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.27 2ksm s ILE 94 CO -0.08 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.83 2ksm n GLY 95 N 3.44 1.15 3.09 6.18 0.00 -1.23 -2.86 105.19 114.96 2ksm n GLY 95 Ca -0.20 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 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 0.85 2.57 0.14 1.61 1.01 -1.26 -2.34 116.67 119.24 2ksm s ASP 96 Ca 0.00 -0.46 0.06 0.00 0.71 0.00 0.00 52.55 52.86 2ksm s ASP 96 Cb 0.00 -1.16 -0.04 0.00 1.01 0.00 0.00 42.92 42.73 2ksm s ASP 96 CO 0.00 0.05 -0.01 -0.36 0.21 0.00 0.00 175.17 175.06 2ksm s PHE 97 N 0.83 2.89 0.04 4.23 0.40 0.04 -4.87 117.98 121.54 2ksm s PHE 97 Ca -0.09 -0.10 -0.17 0.00 -0.60 0.00 0.00 56.93 55.97 2ksm s PHE 97 Cb -0.16 -1.45 -0.25 0.00 0.51 0.00 0.00 43.02 41.68 2ksm s PHE 97 CO 0.00 0.49 1.12 -1.00 0.70 0.00 0.00 175.22 176.54 2ksm h PRO 98 N 3.07 0.56 -5.02 0.24 0.13 -1.83 -1.92 132.00 127.22 2ksm h PRO 98 Ca -0.48 -0.65 -0.56 0.00 -0.87 0.00 0.00 66.00 63.45 2ksm h PRO 98 Cb 1.18 0.19 -0.13 0.00 0.13 0.00 0.00 31.00 32.38 2ksm h PRO 98 CO 0.58 1.26 -0.51 -0.51 -0.23 0.00 0.00 178.00 178.59 2ksm s ASP 99 N -7.11 2.74 -0.13 1.44 1.01 -1.26 -3.63 116.67 109.73 2ksm s ASP 99 Ca -0.11 -1.69 0.07 0.00 0.71 0.00 0.00 52.55 51.53 2ksm s ASP 99 Cb 0.05 0.53 -0.23 0.00 1.01 0.00 0.00 42.92 44.28 2ksm s ASP 99 CO 0.88 -0.95 0.31 -1.84 0.21 0.00 0.00 175.17 173.77 2ksm n GLU 100 N -0.90 0.68 0.29 8.23 0.28 -1.26 -4.08 120.64 123.87 2ksm n GLU 100 Ca -0.05 0.19 0.15 0.00 -0.16 0.00 0.00 57.16 57.30 2ksm n GLU 100 Cb 0.65 -1.66 0.88 0.00 1.43 0.00 0.00 31.44 32.73 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 0.60 1.31 -0.39 -1.84 0.00 -2.03 -1.88 119.26 115.05 2ksm h ALA 101 Ca -0.43 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.49 2ksm h ALA 101 Cb 2.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 2ksm h ALA 101 CO 0.04 0.06 0.26 0.00 0.00 0.00 0.00 179.25 179.62 2ksm h ALA 102 N 1.95 2.00 -0.48 0.00 0.00 -2.00 -0.43 119.26 120.30 2ksm h ALA 102 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2ksm h ALA 102 Cb 0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2ksm h ALA 102 CO 0.01 -0.07 0.21 1.57 0.00 0.00 0.00 179.25 180.96 2ksm h LYS 103 N 0.29 0.67 -0.99 0.00 2.10 -1.58 -2.51 116.57 114.55 2ksm h LYS 103 Ca 0.17 -0.08 0.06 0.00 -2.00 0.00 0.00 60.65 58.80 2ksm h LYS 103 Cb 0.31 -0.13 -0.06 0.00 -0.90 0.00 0.00 32.23 31.45 2ksm h LYS 103 CO -0.04 0.54 0.64 0.00 -2.00 0.00 0.00 179.45 178.59 2ksm h ALA 104 N 1.56 1.36 -0.41 0.07 0.00 -1.22 0.84 119.26 121.47 2ksm h ALA 104 Ca 0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2ksm h ALA 104 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2ksm h ALA 104 CO -0.02 0.45 0.02 0.00 0.00 0.00 0.00 179.25 179.70 2ksm h ALA 105 N 1.44 1.27 0.00 0.00 0.00 -1.51 -1.91 119.26 118.56 2ksm h ALA 105 Ca 0.42 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2ksm h ALA 105 Cb 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2ksm h ALA 105 CO -0.16 0.49 -0.01 1.25 0.00 0.00 0.00 179.25 180.82 2ksm h LEU 106 N 0.61 0.01 -0.70 0.00 6.46 -1.23 -3.34 115.31 117.12 2ksm h LEU 106 Ca 0.13 -0.99 0.14 0.00 -0.12 0.00 0.00 57.88 57.04 2ksm h LEU 106 Cb 0.36 -0.00 -0.13 0.00 -0.73 0.00 0.00 40.66 40.15 2ksm h LEU 106 CO 0.01 1.00 -0.14 0.24 -0.62 0.00 0.00 178.44 178.92 2ksm h MET 107 N -0.98 0.02 -0.31 1.25 2.86 0.73 1.20 114.93 119.69 2ksm h MET 107 Ca -0.00 -0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 2ksm h MET 107 Cb 1.00 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 2ksm h MET 107 CO 0.00 0.01 0.72 1.15 1.06 0.00 0.00 176.91 179.85 2ksm h THR 108 N 0.02 0.08 0.18 2.22 2.02 -1.47 1.56 112.91 117.51 2ksm h THR 108 Ca 0.34 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 67.21 2ksm h THR 108 Cb 0.54 0.35 0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2ksm h THR 108 CO -0.70 0.00 -1.44 0.00 0.37 0.00 0.00 175.52 173.75 2ksm h ALA 109 N 0.84 0.04 -0.98 6.16 0.00 0.13 -3.31 119.26 122.14 2ksm h ALA 109 Ca 0.15 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2ksm h ALA 109 Cb 1.59 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.50 2ksm h ALA 109 CO -0.00 0.90 0.62 -0.07 0.00 0.00 0.00 179.25 180.71 2ksm h LEU 110 N 0.10 1.15 -0.48 0.00 3.38 0.24 -1.66 115.31 118.05 2ksm h LEU 110 Ca -0.22 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2ksm h LEU 110 Cb 2.07 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 42.53 2ksm h LEU 110 CO 0.22 0.86 0.84 -1.13 0.09 0.00 0.00 178.44 179.32 2ksm h ASN 111 N 1.34 0.00 0.58 -0.43 -1.24 -1.50 2.33 115.58 116.67 2ksm h ASN 111 Ca 0.36 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 57.08 2ksm h ASN 111 Cb -0.11 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 38.92 2ksm h ASN 111 CO -0.07 0.00 -1.45 1.23 -1.29 0.00 0.00 177.43 175.85 2ksm h GLY 112 N 0.00 0.16 0.66 1.57 0.00 -1.51 -3.35 103.07 100.60 2ksm h GLY 112 Ca 0.00 -0.41 -0.25 0.00 0.00 0.00 0.00 47.33 46.67 2ksm h GLY 112 CO -0.00 0.36 -1.81 -0.10 0.00 0.00 0.00 176.54 174.99 2ksm n LEU 113 N -3.35 0.58 -4.34 3.11 7.94 0.73 -4.91 117.00 116.76 2ksm n LEU 113 Ca -0.13 0.27 -0.60 0.00 -1.11 0.00 0.00 56.01 54.44 2ksm n LEU 113 Cb 1.02 0.21 -0.11 0.00 0.53 0.00 0.00 43.42 45.07 2ksm n LEU 113 CO 0.48 0.31 1.66 -0.11 -1.11 0.00 0.00 177.39 178.63 2ksm n LEU 114 N -2.86 1.00 -4.61 -1.96 7.94 0.21 -4.91 117.00 111.82 2ksm n LEU 114 Ca -0.18 0.71 -0.24 0.00 -1.11 0.00 0.00 56.01 55.19 2ksm n LEU 114 Cb 0.98 -0.95 -0.09 0.00 0.53 0.00 0.00 43.42 43.89 2ksm n LEU 114 CO 0.44 -0.76 -0.33 0.00 -1.11 0.00 0.00 177.39 175.62 2ksm s ALA 115 N 5.76 3.13 -0.17 1.96 0.00 -1.26 -4.99 121.76 126.20 2ksm s ALA 115 Ca 1.17 -1.93 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 2ksm s ALA 115 Cb -1.41 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 2ksm s ALA 115 CO 0.66 0.12 1.55 -1.25 0.00 0.00 0.00 175.76 176.83 2ksm s PRO 116 N -3.68 3.99 0.00 0.00 0.04 -1.26 -2.21 135.00 131.88 2ksm s PRO 116 Ca 0.34 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2ksm s PRO 116 Cb -0.01 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.56 2ksm s PRO 116 CO 0.19 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.59 2ksm n GLY 117 N 4.30 0.72 3.73 0.56 0.00 -1.26 -5.04 105.19 108.20 2ksm n GLY 117 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.04 4.41 -0.13 1.61 0.11 -0.94 -5.04 120.40 118.38 2ksm s VAL 118 Ca 0.00 1.96 -0.06 0.00 -2.93 0.00 0.00 61.98 60.95 2ksm s VAL 118 Cb 0.00 -4.26 -0.04 0.00 -1.53 0.00 0.00 36.38 30.56 2ksm s VAL 118 CO 0.00 0.28 0.10 0.20 -3.33 0.00 0.00 175.10 172.36 2ksm s ASN 119 N 0.13 6.05 -0.01 3.54 0.01 -1.20 -4.92 114.94 118.54 2ksm s ASN 119 Ca 0.48 0.34 0.08 0.00 -0.71 0.00 0.00 52.86 53.05 2ksm s ASN 119 Cb -0.24 -1.93 -0.02 0.00 0.41 0.00 0.00 41.25 39.46 2ksm s ASN 119 CO 0.30 0.36 -0.24 -0.69 -1.51 0.00 0.00 177.10 175.32 2ksm s VAL 120 N -0.72 2.23 -0.44 1.60 1.01 -1.26 -2.97 120.40 119.85 2ksm s VAL 120 Ca 0.13 -1.10 0.04 0.00 0.00 0.00 0.00 61.98 61.05 2ksm s VAL 120 Cb -0.12 -1.81 0.18 0.00 0.00 0.00 0.00 36.38 34.63 2ksm s VAL 120 CO 0.03 0.54 0.37 -0.38 0.00 0.00 0.00 175.10 175.66 2ksm n ILE 121 N 2.29 -0.89 -4.02 2.22 5.41 -1.04 -4.96 119.36 118.37 2ksm n ILE 121 Ca -0.16 -3.61 -0.34 0.00 1.00 0.00 0.00 62.75 59.64 2ksm n ILE 121 Cb 0.51 -1.73 -0.15 0.00 -0.71 0.00 0.00 39.64 37.57 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 -0.19 3.92 -0.28 4.38 -4.77 -1.26 -3.09 116.67 115.38 2ksm s ASP 122 Ca 0.32 -0.79 0.02 0.00 -3.30 0.00 0.00 52.55 48.80 2ksm s ASP 122 Cb 0.04 -1.60 0.08 0.00 -1.09 0.00 0.00 42.92 40.35 2ksm s ASP 122 CO -0.19 -0.08 -0.01 -1.10 0.70 0.00 0.00 175.17 174.50 2ksm s GLN 123 N 1.31 1.53 0.00 2.11 -1.52 -1.02 -5.02 119.66 117.04 2ksm s GLN 123 Ca 0.02 -1.33 0.07 0.00 -1.95 0.00 0.00 55.36 52.16 2ksm s GLN 123 Cb -0.15 -2.73 -0.03 0.00 -0.22 0.00 0.00 33.01 29.88 2ksm s GLN 123 CO -0.07 -0.76 -0.20 0.42 -0.25 0.00 0.00 175.29 174.43 2ksm s ILE 124 N 1.23 2.61 0.04 1.08 1.01 -1.26 -3.48 121.20 122.44 2ksm s ILE 124 Ca 0.01 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 59.56 2ksm s ILE 124 Cb -0.19 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 2ksm s ILE 124 CO -0.10 0.47 0.24 -1.00 0.00 0.00 0.00 174.94 174.56 2ksm s HIS 125 N -0.78 3.53 0.11 3.97 3.76 -0.99 -4.89 115.29 120.00 2ksm s HIS 125 Ca 0.12 0.41 -0.12 0.00 -0.15 0.00 0.00 55.06 55.32 2ksm s HIS 125 Cb -0.10 -1.87 -0.06 0.00 1.11 0.00 0.00 32.58 31.65 2ksm s HIS 125 CO 0.02 0.58 0.47 0.08 -0.85 0.00 0.00 174.74 175.04 2ksm s VAL 126 N -1.44 4.99 0.08 -0.90 1.01 -1.26 -0.78 120.40 122.10 2ksm s VAL 126 Ca 0.32 0.63 -0.05 0.00 0.00 0.00 0.00 61.98 62.87 2ksm s VAL 126 Cb -0.13 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2ksm s VAL 126 CO 0.22 0.27 0.10 -1.81 0.00 0.00 0.00 175.10 173.89 2ksm s ASP 127 N -1.73 0.27 0.00 3.32 1.11 -0.72 -4.94 116.67 113.98 2ksm s ASP 127 Ca 0.35 -0.80 0.00 0.00 0.18 0.00 0.00 52.55 52.28 2ksm s ASP 127 Cb -0.14 0.28 0.00 0.00 1.07 0.00 0.00 42.92 44.13 2ksm s ASP 127 CO 0.18 -0.68 0.78 -2.65 1.18 0.00 0.00 175.17 173.99 2ksm n PRO 128 N 0.00 0.00 -2.69 8.23 -0.02 -1.26 -4.43 135.00 134.83 2ksm n PRO 128 Ca -0.14 0.78 -0.05 0.00 -2.02 0.00 0.00 63.50 62.07 2ksm n PRO 128 Cb 0.62 -1.28 0.12 0.00 -0.02 0.00 0.00 33.50 32.95 2ksm n PRO 128 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2ksm n VAL 129 N -2.18 0.02 -1.62 -1.45 0.24 -1.26 -4.78 118.33 107.30 2ksm n VAL 129 Ca 0.00 -1.30 -0.42 0.00 -2.04 0.00 0.00 64.34 60.57 2ksm n VAL 129 Cb 0.00 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 2ksm n VAL 129 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 2ksm n VAL 130 N -1.03 2.25 -2.05 3.34 0.24 -1.26 -4.81 118.33 115.00 2ksm n VAL 130 Ca -0.10 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.31 2ksm n VAL 130 Cb 0.86 -1.20 -0.03 0.00 -1.47 0.00 0.00 33.84 32.00 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 -1.88 2.82 0.31 7.34 1.81 -1.26 -4.65 118.95 123.44 2ksm s ARG 131 Ca 0.61 0.79 0.04 0.00 -1.72 0.00 0.00 55.73 55.44 2ksm s ARG 131 Cb -0.59 -4.33 -0.06 0.00 -0.45 0.00 0.00 34.95 29.52 2ksm s ARG 131 CO 0.59 -2.49 0.03 -1.12 -0.68 0.00 0.00 175.30 171.63 2ksm s SER 132 N 7.45 2.44 0.22 0.23 0.01 -1.26 0.13 113.70 122.93 2ksm s SER 132 Ca 0.69 -1.34 -0.31 0.00 1.31 0.00 0.00 55.95 56.31 2ksm s SER 132 Cb -0.15 -0.10 -0.11 0.00 0.21 0.00 0.00 66.02 65.87 2ksm s SER 132 CO 0.24 -0.55 1.61 -0.22 0.41 0.00 0.00 173.24 174.72 2ksm s LEU 133 N -3.47 4.36 -0.73 2.44 2.96 -1.26 -4.92 118.68 118.06 2ksm s LEU 133 Ca 0.35 2.79 -0.24 0.00 -0.22 0.00 0.00 54.13 56.81 2ksm s LEU 133 Cb 0.08 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 43.21 2ksm s LEU 133 CO 0.15 -0.88 1.14 -1.81 -1.32 0.00 0.00 176.35 173.63 2ksm s ASP 134 N 0.87 6.21 0.00 3.68 1.01 -1.26 -4.84 116.67 122.34 2ksm s ASP 134 Ca 0.68 -0.83 0.25 0.00 0.71 0.00 0.00 52.55 53.36 2ksm s ASP 134 Cb -0.46 -2.49 1.21 0.00 1.01 0.00 0.00 42.92 42.19 2ksm s ASP 134 CO 0.38 -1.61 1.81 2.22 0.21 0.00 0.00 175.17 178.18 2ksm n PHE 135 N 8.47 0.05 -0.46 4.23 1.16 -1.26 -4.19 117.46 125.46 2ksm n PHE 135 Ca 0.03 -0.03 0.41 0.00 -1.87 0.00 0.00 57.45 55.99 2ksm n PHE 135 Cb 0.48 0.00 0.66 0.00 -1.61 0.00 0.00 39.48 39.01 2ksm n PHE 135 CO 0.00 0.00 0.00 0.77 -1.87 0.00 0.00 176.76 175.66 2ksm h SER 136 N 1.09 0.00 -0.41 5.98 0.02 -1.93 2.22 113.55 120.52 2ksm h SER 136 Ca 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 2ksm h SER 136 Cb 0.23 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.52 2ksm h SER 136 CO 0.00 0.00 -0.72 -1.20 -1.14 0.00 0.00 176.83 173.77 2ksm n SER 137 N -3.66 3.37 0.13 3.07 7.64 -1.26 -4.64 113.62 118.27 2ksm n SER 137 Ca 0.34 -3.67 0.05 0.00 1.01 0.00 0.00 58.87 56.60 2ksm n SER 137 Cb 1.73 -0.42 0.03 0.00 -1.01 0.00 0.00 64.21 64.55 2ksm n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ksm h ALA 138 N 1.69 0.72 0.24 -0.43 0.00 0.34 -3.25 119.26 118.58 2ksm h ALA 138 Ca 0.18 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ksm h ALA 138 Cb 1.33 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2ksm h ALA 138 CO 0.41 0.47 -0.34 0.93 0.00 0.00 0.00 179.25 180.72 2ksm h GLU 139 N 0.00 -0.58 -1.02 0.00 4.39 -1.80 2.08 114.58 117.66 2ksm h GLU 139 Ca -0.03 0.04 0.25 0.00 0.34 0.00 0.00 59.36 59.96 2ksm h GLU 139 Cb 1.29 0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 29.96 2ksm h GLU 139 CO 0.04 -0.39 0.63 -1.00 -1.16 0.00 0.00 179.01 177.13 2ksm h PRO 140 N -0.60 0.51 0.08 2.33 0.13 -1.93 0.71 132.00 133.23 2ksm h PRO 140 Ca -0.03 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2ksm h PRO 140 Cb 0.55 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2ksm h PRO 140 CO -0.10 0.34 -0.04 0.28 -0.23 0.00 0.00 178.00 178.26 2ksm h VAL 141 N 0.53 0.00 -1.03 1.56 2.07 -1.23 -2.48 116.25 115.67 2ksm h VAL 141 Ca 0.62 -0.31 0.31 0.00 0.82 0.00 0.00 66.70 68.13 2ksm h VAL 141 Cb 1.30 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.93 2ksm h VAL 141 CO -0.39 0.00 0.60 0.15 0.02 0.00 0.00 177.57 177.95 2ksm h PHE 142 N -0.41 0.90 -0.11 1.57 3.57 0.35 1.84 116.94 124.64 2ksm h PHE 142 Ca -0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2ksm h PHE 142 Cb 0.08 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 2ksm h PHE 142 CO 0.03 -0.10 -0.16 1.79 -2.23 0.00 0.00 178.31 177.64 2ksm h THR 143 N 0.38 1.18 0.00 4.41 1.35 0.34 0.59 112.91 121.16 2ksm h THR 143 Ca 0.71 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 2ksm h THR 143 Cb 1.60 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 2ksm h THR 143 CO -0.53 0.25 0.00 0.00 -0.25 0.00 0.00 175.52 174.98 2ksm h ALA 144 N 1.67 1.00 -0.18 6.62 0.00 0.33 -2.73 119.26 125.97 2ksm h ALA 144 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ksm h ALA 144 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2ksm h ALA 144 CO 0.02 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.72 2ksm n SER 145 N -2.77 2.42 -0.02 0.00 2.88 -0.37 -4.64 113.62 111.11 2ksm n SER 145 Ca 0.02 -1.73 -0.09 0.00 -1.33 0.00 0.00 58.87 55.75 2ksm n SER 145 Cb 0.33 -0.11 -0.03 0.00 -0.75 0.00 0.00 64.21 63.64 2ksm n SER 145 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2ksm h VAL 146 N 2.13 0.81 0.00 2.46 2.07 -0.62 -1.79 116.25 121.31 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 0.60 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 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 -5.19 0.24 -3.35 1.57 -0.04 -1.26 -3.81 135.00 123.15 2ksm n PRO 147 Ca -0.03 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.19 2ksm n PRO 147 Cb 0.12 -1.11 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.08 0.10 -1.55 0.52 1.01 -0.67 -4.98 121.20 114.55 2ksm s ILE 148 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 60.65 58.54 2ksm s ILE 148 Cb 0.00 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.42 2ksm s ILE 148 CO 0.00 -1.00 0.64 -0.81 0.00 0.00 0.00 174.94 173.76 2ksm n PRO 149 N 3.28 0.82 -0.93 2.79 -0.04 -1.25 -2.93 135.00 136.75 2ksm n PRO 149 Ca 0.23 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.70 2ksm n PRO 149 Cb 0.46 -1.19 0.16 0.00 -0.04 0.00 0.00 33.50 32.89 2ksm n PRO 149 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ksm n ASP 150 N -0.23 2.15 -4.97 3.54 8.00 -1.18 -2.57 116.55 121.29 2ksm n ASP 150 Ca 0.00 -3.70 -0.21 0.00 0.71 0.00 0.00 54.79 51.59 2ksm n ASP 150 Cb 0.09 -0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 40.70 2ksm n ASP 150 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2ksm s PHE 151 N -3.04 3.37 -0.02 1.24 2.19 -0.59 -3.94 117.98 117.18 2ksm s PHE 151 Ca 0.40 0.03 0.04 0.00 0.33 0.00 0.00 56.93 57.73 2ksm s PHE 151 Cb 0.38 -1.80 -0.00 0.00 -1.31 0.00 0.00 43.02 40.29 2ksm s PHE 151 CO -0.06 0.21 -0.14 0.20 1.83 0.00 0.00 175.22 177.26 2ksm s GLY 152 N -4.06 0.72 -0.10 13.12 0.00 -0.28 -2.13 107.32 114.60 2ksm s GLY 152 Ca 0.39 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.56 2ksm s GLY 152 CO 0.32 -0.34 -0.12 -2.27 0.00 0.00 0.00 173.10 170.68 2ksm s LEU 153 N -0.08 1.55 -0.02 0.66 1.98 -0.66 -3.15 118.68 118.96 2ksm s LEU 153 Ca 0.00 -0.36 0.00 0.00 -2.89 0.00 0.00 54.13 50.89 2ksm s LEU 153 Cb -0.08 -0.94 0.03 0.00 0.66 0.00 0.00 46.19 45.85 2ksm s LEU 153 CO 0.01 -0.02 0.02 -0.75 -1.89 0.00 0.00 176.35 173.72 2ksm s LYS 154 N 1.10 0.06 -0.05 1.98 2.47 -1.14 -2.17 119.74 121.99 2ksm s LYS 154 Ca -0.05 0.14 0.05 0.00 -1.56 0.00 0.00 55.97 54.55 2ksm s LYS 154 Cb -0.14 -0.31 -0.02 0.00 -1.46 0.00 0.00 37.83 35.90 2ksm s LYS 154 CO -0.02 -0.15 -0.19 0.08 0.16 0.00 0.00 175.35 175.23 2ksm s VAL 155 N 1.00 2.63 0.00 4.02 1.01 -1.17 -1.55 120.40 126.34 2ksm s VAL 155 Ca -0.09 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2ksm s VAL 155 Cb -0.13 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.26 2ksm s VAL 155 CO -0.02 0.58 0.00 1.21 0.00 0.00 0.00 175.10 176.86 2ksm n GLU 156 N 2.59 3.92 0.00 2.72 2.13 0.28 -2.61 120.64 129.67 2ksm n GLU 156 Ca -0.17 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.76 2ksm n GLU 156 Cb 0.52 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.29 2ksm n GLU 156 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2ksm n ARG 157 N 0.00 1.93 0.00 5.31 1.74 -1.26 -4.30 116.66 120.08 2ksm n ARG 157 Ca 0.00 -1.61 0.00 0.00 -0.77 0.00 0.00 57.85 55.47 2ksm n ARG 157 Cb 0.00 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 2ksm n ARG 157 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2ksm n ASP 158 N 0.90 0.00 -4.22 0.55 5.68 -1.26 -2.46 116.55 115.74 2ksm n ASP 158 Ca 0.12 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.27 2ksm n ASP 158 Cb 0.54 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.42 2ksm n ASP 158 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2ksm s THR 159 N 0.00 1.07 -0.07 2.12 2.01 -1.26 -4.14 115.64 115.37 2ksm s THR 159 Ca 0.00 -1.93 0.00 0.00 0.31 0.00 0.00 61.69 60.07 2ksm s THR 159 Cb 0.00 -1.70 0.02 0.00 0.01 0.00 0.00 72.50 70.84 2ksm s THR 159 CO 0.00 -0.70 -0.05 -0.69 -0.69 0.00 0.00 174.62 172.49 2ksm s VAL 160 N -3.09 0.68 0.03 3.82 1.01 0.41 0.99 120.40 124.25 2ksm s VAL 160 Ca 0.13 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.02 2ksm s VAL 160 Cb 0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2ksm s VAL 160 CO -0.00 0.28 -0.12 -0.89 0.00 0.00 0.00 175.10 174.37 2ksm s THR 161 N 1.30 3.24 -0.10 3.92 2.01 -0.59 -2.16 115.64 123.26 2ksm s THR 161 Ca -0.04 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 60.98 2ksm s THR 161 Cb -0.14 -2.40 0.01 0.00 0.01 0.00 0.00 72.50 69.98 2ksm s THR 161 CO -0.02 0.34 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.31 2ksm s LEU 162 N -1.51 1.83 -0.10 4.42 1.02 0.73 -2.90 118.68 122.17 2ksm s LEU 162 Ca 0.16 -0.44 -0.05 0.00 0.02 0.00 0.00 54.13 53.82 2ksm s LEU 162 Cb -0.11 -1.13 0.05 0.00 0.02 0.00 0.00 46.19 45.02 2ksm s LEU 162 CO 0.07 0.06 0.23 0.42 0.02 0.00 0.00 176.35 177.16 2ksm s THR 163 N 0.71 -0.09 -0.24 5.49 -4.23 -1.19 -1.14 115.64 114.96 2ksm s THR 163 Ca -0.12 0.17 -0.18 0.00 -1.18 0.00 0.00 61.69 60.38 2ksm s THR 163 Cb -0.16 -0.37 0.07 0.00 1.34 0.00 0.00 72.50 73.38 2ksm s THR 163 CO 0.03 0.07 0.61 -0.83 -0.54 0.00 0.00 174.62 173.96 2ksm s GLY 164 N 1.41 -0.50 -0.03 3.99 0.00 -1.26 -1.12 107.32 109.81 2ksm s GLY 164 Ca -0.08 1.95 -0.30 0.00 0.00 0.00 0.00 44.72 46.29 2ksm s GLY 164 CO -0.08 1.84 1.37 -0.51 0.00 0.00 0.00 173.10 175.72 2ksm s THR 165 N 0.94 3.84 -0.38 0.90 -4.23 -1.25 -4.05 115.64 111.40 2ksm s THR 165 Ca -0.05 1.19 0.01 0.00 -1.18 0.00 0.00 61.69 61.66 2ksm s THR 165 Cb -0.05 -3.77 0.13 0.00 1.34 0.00 0.00 72.50 70.15 2ksm s THR 165 CO -0.08 -0.02 0.21 0.00 -0.54 0.00 0.00 174.62 174.19 2ksm s ALA 166 N 2.55 1.50 -1.03 3.99 0.00 -1.26 -4.93 121.76 122.58 2ksm s ALA 166 Ca 0.62 -2.13 0.00 0.00 0.00 0.00 0.00 51.96 50.45 2ksm s ALA 166 Cb -0.30 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.10 2ksm s ALA 166 CO 0.25 -2.04 0.36 -2.30 0.00 0.00 0.00 175.76 172.03 2ksm n PRO 167 N 3.94 0.00 0.00 0.00 -0.02 -1.26 -4.21 135.00 133.45 2ksm n PRO 167 Ca 0.09 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2ksm n PRO 167 Cb 0.36 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 2ksm n PRO 167 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2ksm n SER 168 N -0.86 0.00 0.00 2.55 7.64 -1.26 -5.05 113.62 116.64 2ksm n SER 168 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2ksm n SER 168 Cb 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 2ksm n SER 168 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ksm n SER 169 N 0.00 0.00 0.22 6.43 7.64 -1.26 -4.93 113.62 121.72 2ksm n SER 169 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 2ksm n SER 169 Cb 0.00 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 63.61 2ksm n SER 169 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2ksm h GLU 170 N 0.00 0.00 -0.43 1.43 4.11 -2.01 0.26 114.58 117.94 2ksm h GLU 170 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.55 2ksm h GLU 170 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2ksm h GLU 170 CO 0.00 0.00 0.80 0.45 0.07 0.00 0.00 179.01 180.33 2ksm h HIS 171 N 0.00 0.00 0.00 2.06 3.86 -1.96 1.74 115.15 120.85 2ksm h HIS 171 Ca 0.10 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.14 2ksm h HIS 171 Cb 1.63 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 30.07 2ksm h HIS 171 CO 0.00 0.00 -0.95 1.57 0.86 0.00 0.00 177.93 179.41 2ksm h LYS 172 N 0.00 0.00 0.16 2.45 2.10 -1.34 -3.37 116.57 116.58 2ksm h LYS 172 Ca 0.20 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.87 2ksm h LYS 172 Cb 1.81 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.09 2ksm h LYS 172 CO -0.00 0.69 -0.50 0.22 -2.00 0.00 0.00 179.45 177.86 2ksm h ASP 173 N 0.00 -1.47 -0.87 7.07 3.58 0.25 -0.80 116.42 124.18 2ksm h ASP 173 Ca -0.05 0.15 0.16 0.00 0.42 0.00 0.00 57.03 57.71 2ksm h ASP 173 Cb 1.64 0.54 -0.10 0.00 1.72 0.00 0.00 39.33 43.13 2ksm h ASP 173 CO 0.09 -0.55 0.44 0.00 -2.88 0.00 0.00 179.24 176.34 2ksm h ALA 174 N -0.47 1.33 -0.48 -0.78 0.00 -1.72 0.95 119.26 118.10 2ksm h ALA 174 Ca -0.00 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2ksm h ALA 174 Cb 0.76 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2ksm h ALA 174 CO -0.25 -0.12 0.31 0.28 0.00 0.00 0.00 179.25 179.46 2ksm h VAL 175 N 0.60 1.11 -0.21 0.00 2.07 -1.52 -1.00 116.25 117.30 2ksm h VAL 175 Ca 0.48 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.75 2ksm h VAL 175 Cb 0.73 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2ksm h VAL 175 CO -0.39 0.11 -0.01 0.50 0.02 0.00 0.00 177.57 177.81 2ksm h LYS 176 N 0.63 0.38 -0.54 1.57 3.64 0.31 -1.58 116.57 120.98 2ksm h LYS 176 Ca 0.18 -0.12 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 2ksm h LYS 176 Cb -0.06 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 2ksm h LYS 176 CO -0.05 0.58 0.28 -0.09 -2.27 0.00 0.00 179.45 177.90 2ksm h ARG 177 N 0.13 0.52 -0.39 1.90 2.43 -0.70 0.42 114.38 118.69 2ksm h ARG 177 Ca 0.06 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2ksm h ARG 177 Cb 0.41 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2ksm h ARG 177 CO 0.01 0.34 0.08 0.00 -1.51 0.00 0.00 179.97 178.90 2ksm h ALA 178 N 1.29 0.52 0.03 2.80 0.00 -1.13 -1.99 119.26 120.79 2ksm h ALA 178 Ca 0.24 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ksm h ALA 178 Cb 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ksm h ALA 178 CO -0.17 0.21 -0.02 0.00 0.00 0.00 0.00 179.25 179.28 2ksm h ALA 179 N 0.94 -0.05 -0.49 0.00 0.00 -0.82 -2.71 119.26 116.13 2ksm h ALA 179 Ca 0.12 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2ksm h ALA 179 Cb 0.34 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2ksm h ALA 179 CO 0.00 -0.35 0.15 1.79 0.00 0.00 0.00 179.25 180.84 2ksm h THR 180 N -0.40 0.80 0.00 0.00 1.35 -0.18 -0.03 112.91 114.45 2ksm h THR 180 Ca -0.00 -0.11 -0.02 0.00 -0.55 0.00 0.00 66.41 65.73 2ksm h THR 180 Cb 0.37 0.46 -0.00 0.00 -1.73 0.00 0.00 68.15 67.24 2ksm h THR 180 CO 0.01 0.06 -0.08 0.28 -0.25 0.00 0.00 175.52 175.53 2ksm h SER 181 N 0.31 0.00 1.03 5.36 0.02 -1.37 0.09 113.55 118.99 2ksm h SER 181 Ca 0.24 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.99 2ksm h SER 181 Cb 0.28 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 2ksm h SER 181 CO -0.27 0.08 -0.98 0.71 -1.14 0.00 0.00 176.83 175.23 2ksm h THR 182 N 0.00 1.54 -2.10 -2.27 1.35 -0.74 -3.39 112.91 107.31 2ksm h THR 182 Ca -0.00 -3.21 -0.57 0.00 -0.55 0.00 0.00 66.41 62.08 2ksm h THR 182 Cb 0.18 2.76 -0.39 0.00 -1.73 0.00 0.00 68.15 68.97 2ksm h THR 182 CO 0.01 0.88 -1.05 0.79 -0.25 0.00 0.00 175.52 175.90 2ksm n TRP 183 N -3.31 -0.25 0.08 4.73 8.01 -0.24 -4.96 117.44 121.50 2ksm n TRP 183 Ca -0.01 -3.55 -0.11 0.00 -1.31 0.00 0.00 57.50 52.52 2ksm n TRP 183 Cb 0.92 -0.24 -0.11 0.00 -2.01 0.00 0.00 31.31 29.87 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 4.36 0.16 -0.01 -0.99 0.13 -1.22 -3.24 132.00 131.19 2ksm h PRO 184 Ca 0.12 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2ksm h PRO 184 Cb 0.87 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2ksm h PRO 184 CO 0.46 1.09 0.00 -0.40 -0.23 0.00 0.00 178.00 178.93 2ksm n ASP 185 N -3.48 0.40 -4.40 1.44 5.75 -1.26 -4.75 116.55 110.24 2ksm n ASP 185 Ca -0.04 -1.17 -0.33 0.00 -0.01 0.00 0.00 54.79 53.24 2ksm n ASP 185 Cb 0.96 -0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.90 2ksm n ASP 185 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2ksm s MET 186 N -1.99 3.20 -0.36 0.11 -1.94 -1.22 -5.05 119.30 112.04 2ksm s MET 186 Ca 0.44 -0.68 -0.35 0.00 -1.71 0.00 0.00 55.69 53.38 2ksm s MET 186 Cb 0.21 -2.58 -0.12 0.00 2.01 0.00 0.00 34.83 34.35 2ksm s MET 186 CO 0.35 0.31 2.20 1.63 -0.01 0.00 0.00 175.02 179.49 2ksm n LYS 187 N 3.25 1.02 -3.86 2.03 5.02 -1.26 -4.78 118.16 119.58 2ksm n LYS 187 Ca -0.18 0.27 -0.36 0.00 -2.02 0.00 0.00 58.31 56.03 2ksm n LYS 187 Cb 0.53 -2.43 -0.14 0.00 -0.02 0.00 0.00 35.03 32.97 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 7.38 3.61 -0.30 -0.18 -1.09 -1.25 -0.44 121.20 128.93 2ksm s ILE 188 Ca 1.10 -0.48 0.01 0.00 -2.23 0.00 0.00 60.65 59.06 2ksm s ILE 188 Cb -0.87 -2.69 0.09 0.00 -1.58 0.00 0.00 42.46 37.40 2ksm s ILE 188 CO 0.49 0.35 0.03 0.54 -1.23 0.00 0.00 174.94 175.12 2ksm s VAL 189 N 1.50 1.61 -0.55 2.92 0.11 -0.92 -5.02 120.40 120.05 2ksm s VAL 189 Ca 0.05 -1.69 -0.14 0.00 -2.93 0.00 0.00 61.98 57.28 2ksm s VAL 189 Cb -0.15 -2.09 0.14 0.00 -1.53 0.00 0.00 36.38 32.75 2ksm s VAL 189 CO -0.01 -0.46 0.48 0.20 -3.33 0.00 0.00 175.10 171.99 2ksm s ASN 190 N 1.28 6.10 -0.66 3.54 -0.87 -1.26 -0.19 114.94 122.88 2ksm s ASN 190 Ca 0.05 -1.93 -0.02 0.00 -1.57 0.00 0.00 52.86 49.40 2ksm s ASN 190 Cb -0.18 -2.15 0.17 0.00 -0.02 0.00 0.00 41.25 39.06 2ksm s ASN 190 CO -0.13 -0.78 0.47 0.20 -2.57 0.00 0.00 177.10 174.29 2ksm s ASN 191 N 3.17 5.21 0.35 -1.22 0.01 -0.29 -4.97 114.94 117.20 2ksm s ASN 191 Ca 0.05 -3.04 -0.25 0.00 -0.71 0.00 0.00 52.86 48.91 2ksm s ASN 191 Cb -0.27 -1.83 -0.10 0.00 0.41 0.00 0.00 41.25 39.46 2ksm s ASN 191 CO 0.01 -0.31 0.95 -0.63 -1.51 0.00 0.00 177.10 175.61 2ksm s ILE 192 N -0.34 4.22 -0.06 0.60 1.09 -1.26 -4.56 121.20 120.90 2ksm s ILE 192 Ca 0.19 1.73 -0.01 0.00 -1.10 0.00 0.00 60.65 61.45 2ksm s ILE 192 Cb -0.19 -3.90 0.03 0.00 -1.06 0.00 0.00 42.46 37.34 2ksm s ILE 192 CO -0.05 0.03 0.02 -1.83 -0.10 0.00 0.00 174.94 173.02 2ksm s GLU 193 N -2.33 0.33 -0.28 2.79 -1.05 -1.26 -5.02 118.70 111.89 2ksm s GLU 193 Ca 0.53 0.20 -0.29 0.00 -0.15 0.00 0.00 54.97 55.27 2ksm s GLU 193 Cb -0.17 -0.76 -0.01 0.00 -0.44 0.00 0.00 34.13 32.76 2ksm s GLU 193 CO 0.22 -0.30 1.39 0.14 0.95 0.00 0.00 175.26 177.66 2ksm s VAL 194 N 1.95 4.01 -0.35 1.83 -7.23 -1.26 -4.24 120.40 115.11 2ksm s VAL 194 Ca 0.04 1.14 -0.20 0.00 -1.81 0.00 0.00 61.98 61.14 2ksm s VAL 194 Cb -0.12 -4.02 0.00 0.00 0.56 0.00 0.00 36.38 32.79 2ksm s VAL 194 CO -0.04 -0.42 0.61 0.28 -0.31 0.00 0.00 175.10 175.22 2ksm s THR 195 N 4.62 4.92 0.00 5.32 -1.32 -1.26 -4.69 115.64 123.22 2ksm s THR 195 Ca 0.61 0.58 0.00 0.00 -1.21 0.00 0.00 61.69 61.67 2ksm s THR 195 Cb -0.19 -4.05 0.00 0.00 -1.51 0.00 0.00 72.50 66.75 2ksm s THR 195 CO 0.25 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 2ksm n GLY 196 N 4.66 -2.43 1.03 6.08 0.00 -1.26 -4.92 105.19 108.35 2ksm n GLY 196 Ca -0.02 0.80 0.12 0.00 0.00 0.00 0.00 46.02 46.93 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 -0.51 -1.92 -1.18 1.61 1.13 -1.26 -4.76 117.38 110.48 2ksm n GLN 197 Ca 0.00 1.38 -0.31 0.00 -1.94 0.00 0.00 57.00 56.13 2ksm n GLN 197 Cb 0.00 -2.44 0.11 0.00 0.11 0.00 0.00 30.24 28.03 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 -2.69 1.97 0.75 -1.58 0.00 -1.26 -5.02 121.76 113.94 2ksm s ALA 198 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 2ksm s ALA 198 Cb 0.00 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 19.90 2ksm s ALA 198 CO 0.00 -2.03 1.08 -1.25 0.00 0.00 0.00 175.76 173.55 2ksm s PRO 199 N -4.88 2.43 0.30 0.00 0.04 -1.26 -4.83 135.00 126.80 2ksm s PRO 199 Ca 0.62 1.02 0.03 0.00 0.04 0.00 0.00 61.00 62.71 2ksm s PRO 199 Cb -0.18 -1.93 0.15 0.00 0.04 0.00 0.00 34.50 32.58 2ksm s PRO 199 CO 0.57 -1.47 0.85 -2.30 0.04 0.00 0.00 177.00 174.68 2ksm n PRO 200 N -3.39 0.03 -3.55 0.56 -0.02 -1.26 -2.35 135.00 125.02 2ksm n PRO 200 Ca 0.08 0.46 -0.27 0.00 -2.02 0.00 0.00 63.50 61.75 2ksm n PRO 200 Cb 0.54 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.70 2ksm n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ksm n GLY 201 N -1.24 3.10 3.43 -1.23 0.00 -1.26 -5.12 105.19 102.87 2ksm n GLY 201 Ca -0.00 -1.91 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 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 2.21 -0.13 0.00 1.61 -0.02 -0.99 -5.15 135.00 132.53 2ksm n PRO 202 Ca 0.26 0.01 0.08 0.00 -2.02 0.00 0.00 63.50 61.82 2ksm n PRO 202 Cb 0.43 -1.86 0.46 0.00 -0.02 0.00 0.00 33.50 32.52 2ksm n PRO 202 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13