#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 -0.34 -1.78 4.61 0.00 -1.26 -4.92 121.76 118.07 2ksm s ALA 74 Ca 0.00 0.22 0.21 0.00 0.00 0.00 0.00 51.96 52.39 2ksm s ALA 74 Cb 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 2ksm s ALA 74 CO 0.00 -0.12 1.02 0.43 0.00 0.00 0.00 175.76 177.09 2ksm n SER 75 N 2.48 1.80 -4.85 0.00 7.64 -1.26 -4.97 113.62 114.46 2ksm n SER 75 Ca -0.16 -1.40 -0.31 0.00 1.01 0.00 0.00 58.87 58.01 2ksm n SER 75 Cb 0.58 0.57 0.00 0.00 -1.01 0.00 0.00 64.21 64.35 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 -2.50 3.02 0.98 -0.43 0.00 -1.26 -5.05 121.76 116.52 2ksm s ALA 76 Ca 0.16 0.05 -0.13 0.00 0.00 0.00 0.00 51.96 52.03 2ksm s ALA 76 Cb 0.17 -3.11 0.18 0.00 0.00 0.00 0.00 23.12 20.36 2ksm s ALA 76 CO 0.60 -0.61 1.12 -0.51 0.00 0.00 0.00 175.76 176.37 2ksm s LEU 77 N -4.82 1.70 -0.53 0.00 1.02 -1.26 -4.94 118.68 109.84 2ksm s LEU 77 Ca 0.57 0.99 -0.22 0.00 0.02 0.00 0.00 54.13 55.49 2ksm s LEU 77 Cb -0.11 -3.17 0.05 0.00 0.02 0.00 0.00 46.19 42.97 2ksm s LEU 77 CO 0.46 -2.98 0.80 -0.44 0.02 0.00 0.00 176.35 174.20 2ksm s SER 78 N -3.80 6.28 -0.41 2.29 0.01 -1.26 -4.57 113.70 112.24 2ksm s SER 78 Ca 0.66 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 57.36 2ksm s SER 78 Cb -0.16 -2.37 0.21 0.00 0.21 0.00 0.00 66.02 63.91 2ksm s SER 78 CO 0.55 -1.08 0.43 0.00 0.41 0.00 0.00 173.24 173.56 2ksm n LEU 79 N 6.88 -0.09 -3.43 2.44 -0.00 -1.26 -4.06 117.00 117.49 2ksm n LEU 79 Ca -0.02 -4.54 -0.15 0.00 -0.00 0.00 0.00 56.01 51.29 2ksm n LEU 79 Cb 0.46 0.56 -0.11 0.00 -0.00 0.00 0.00 43.42 44.34 2ksm n LEU 79 CO 0.59 1.96 -0.16 -0.55 -0.00 0.00 0.00 177.39 179.24 2ksm s SER 80 N -0.57 1.15 0.44 1.45 0.15 -1.26 -4.89 113.70 110.16 2ksm s SER 80 Ca 0.34 -0.26 -0.25 0.00 0.70 0.00 0.00 55.95 56.48 2ksm s SER 80 Cb 0.10 0.62 -0.08 0.00 -1.71 0.00 0.00 66.02 64.95 2ksm s SER 80 CO -0.15 -0.34 1.27 -1.48 1.20 0.00 0.00 173.24 173.74 2ksm s LEU 81 N 2.40 4.12 0.12 3.45 0.05 -1.26 -4.73 118.68 122.83 2ksm s LEU 81 Ca 0.09 2.57 0.05 0.00 0.05 0.00 0.00 54.13 56.89 2ksm s LEU 81 Cb -0.15 -4.03 -0.04 0.00 -2.05 0.00 0.00 46.19 39.92 2ksm s LEU 81 CO -0.19 -0.95 -0.12 -0.76 -0.55 0.00 0.00 176.35 173.78 2ksm s LEU 82 N -2.71 2.43 -0.04 1.48 1.02 -0.34 -4.69 118.68 115.83 2ksm s LEU 82 Ca 0.60 -0.85 -0.01 0.00 0.02 0.00 0.00 54.13 53.90 2ksm s LEU 82 Cb -0.36 -0.43 0.03 0.00 0.02 0.00 0.00 46.19 45.45 2ksm s LEU 82 CO 0.45 -0.22 0.02 -0.44 0.02 0.00 0.00 176.35 176.18 2ksm s SER 83 N -2.60 0.72 -0.05 2.29 0.01 -1.15 -3.09 113.70 109.83 2ksm s SER 83 Ca 0.09 0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.37 2ksm s SER 83 Cb -0.03 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.02 2ksm s SER 83 CO 0.02 -0.16 -0.05 -0.63 0.41 0.00 0.00 173.24 172.83 2ksm s ILE 84 N 1.48 0.58 -0.06 1.44 1.01 -0.32 -2.13 121.20 123.20 2ksm s ILE 84 Ca -0.04 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.50 2ksm s ILE 84 Cb -0.13 -0.62 0.02 0.00 0.01 0.00 0.00 42.46 41.74 2ksm s ILE 84 CO -0.03 0.25 -0.08 -0.55 0.00 0.00 0.00 174.94 174.53 2ksm s SER 85 N 1.07 1.40 -0.18 3.58 0.15 0.16 -1.61 113.70 118.27 2ksm s SER 85 Ca -0.09 -0.22 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 2ksm s SER 85 Cb -0.14 -0.64 0.05 0.00 -1.71 0.00 0.00 66.02 63.57 2ksm s SER 85 CO -0.01 -0.02 -0.02 -0.13 1.20 0.00 0.00 173.24 174.26 2ksm s ARG 86 N 0.84 1.19 -0.00 5.44 0.52 -0.89 -0.99 118.95 125.05 2ksm s ARG 86 Ca -0.12 -0.52 0.09 0.00 -0.52 0.00 0.00 55.73 54.66 2ksm s ARG 86 Cb -0.15 -2.05 -0.11 0.00 0.52 0.00 0.00 34.95 33.16 2ksm s ARG 86 CO 0.01 -0.51 0.32 -1.13 0.02 0.00 0.00 175.30 174.02 2ksm n SER 87 N 4.91 1.19 0.00 0.23 3.41 -0.12 -1.92 113.62 121.32 2ksm n SER 87 Ca -0.11 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 2ksm n SER 87 Cb 0.47 1.13 0.00 0.00 -0.26 0.00 0.00 64.21 65.55 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 1.45 2.28 0.04 5.00 0.00 -0.48 -4.48 105.19 109.00 2ksm n GLY 88 Ca 0.01 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.19 -2.89 1.61 2.35 -1.93 -3.42 115.58 111.10 2ksm h ASN 89 Ca 0.00 0.03 -0.62 0.00 -0.55 0.00 0.00 56.30 55.16 2ksm h ASN 89 Cb 0.00 0.08 -0.13 0.00 0.05 0.00 0.00 38.32 38.32 2ksm h ASN 89 CO 0.00 -0.03 -0.71 0.42 -1.65 0.00 0.00 177.43 175.46 2ksm s THR 90 N -3.24 3.21 -0.04 2.81 -4.23 -1.26 -2.64 115.64 110.25 2ksm s THR 90 Ca -0.01 -1.70 0.07 0.00 -1.18 0.00 0.00 61.69 58.86 2ksm s THR 90 Cb 0.01 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 2ksm s THR 90 CO 0.06 -0.15 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.06 2ksm s VAL 91 N -1.80 1.94 -0.25 2.29 1.01 -1.10 -3.66 120.40 118.83 2ksm s VAL 91 Ca 0.26 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2ksm s VAL 91 Cb -0.08 -1.62 0.07 0.00 0.00 0.00 0.00 36.38 34.74 2ksm s VAL 91 CO 0.16 0.54 -0.03 -0.89 0.00 0.00 0.00 175.10 174.88 2ksm s THR 92 N -0.34 1.57 -0.17 3.92 2.01 -0.16 -1.86 115.64 120.60 2ksm s THR 92 Ca 0.03 -1.37 -0.04 0.00 0.31 0.00 0.00 61.69 60.62 2ksm s THR 92 Cb -0.11 -1.89 0.07 0.00 0.01 0.00 0.00 72.50 70.57 2ksm s THR 92 CO 0.01 -0.20 0.14 -1.48 -0.69 0.00 0.00 174.62 172.40 2ksm s LEU 93 N 1.35 0.16 0.27 4.42 2.34 -1.15 0.39 118.68 126.46 2ksm s LEU 93 Ca -0.03 -0.39 0.11 0.00 0.06 0.00 0.00 54.13 53.89 2ksm s LEU 93 Cb -0.19 0.00 -0.05 0.00 -0.56 0.00 0.00 46.19 45.40 2ksm s LEU 93 CO -0.08 -0.33 -0.19 -0.63 -1.06 0.00 0.00 176.35 174.06 2ksm s ILE 94 N 2.21 2.38 -5.00 1.48 1.01 -0.91 -2.66 121.20 119.71 2ksm s ILE 94 Ca 0.04 -2.37 0.00 0.00 0.00 0.00 0.00 60.65 58.31 2ksm s ILE 94 Cb -0.15 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.06 2ksm s ILE 94 CO -0.10 -0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.03 2ksm n GLY 95 N -0.57 -0.22 3.02 6.18 0.00 -1.18 -2.93 105.19 109.50 2ksm n GLY 95 Ca -0.06 -1.22 -0.22 0.00 0.00 0.00 0.00 46.02 44.52 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 1.46 0.21 1.61 1.01 -1.26 -2.25 116.67 113.45 2ksm s ASP 96 Ca 0.00 -0.23 0.08 0.00 0.71 0.00 0.00 52.55 53.10 2ksm s ASP 96 Cb 0.00 -0.46 -0.04 0.00 1.01 0.00 0.00 42.92 43.43 2ksm s ASP 96 CO 0.00 0.07 0.05 -0.36 0.21 0.00 0.00 175.17 175.14 2ksm s PHE 97 N 0.29 2.89 0.03 4.23 0.40 0.35 -4.82 117.98 121.35 2ksm s PHE 97 Ca -0.06 -0.14 -0.18 0.00 -0.60 0.00 0.00 56.93 55.96 2ksm s PHE 97 Cb -0.11 -1.35 -0.24 0.00 0.51 0.00 0.00 43.02 41.84 2ksm s PHE 97 CO 0.01 0.55 1.13 -1.00 0.70 0.00 0.00 175.22 176.61 2ksm h PRO 98 N 2.21 0.53 -5.00 0.24 0.13 -1.81 0.32 132.00 128.60 2ksm h PRO 98 Ca -0.47 -0.57 -0.56 0.00 -0.87 0.00 0.00 66.00 63.53 2ksm h PRO 98 Cb 1.22 0.16 -0.13 0.00 0.13 0.00 0.00 31.00 32.39 2ksm h PRO 98 CO 0.60 1.20 -0.49 -0.51 -0.23 0.00 0.00 178.00 178.56 2ksm s ASP 99 N -6.98 2.71 -0.18 1.44 1.01 -1.26 -3.36 116.67 110.05 2ksm s ASP 99 Ca -0.12 -1.74 0.02 0.00 0.71 0.00 0.00 52.55 51.42 2ksm s ASP 99 Cb 0.05 0.59 -0.22 0.00 1.01 0.00 0.00 42.92 44.35 2ksm s ASP 99 CO 0.86 -1.00 0.09 -1.84 0.21 0.00 0.00 175.17 173.49 2ksm n GLU 100 N -0.90 0.69 0.30 8.23 0.28 -1.26 -4.13 120.64 123.85 2ksm n GLU 100 Ca -0.04 0.18 0.16 0.00 -0.16 0.00 0.00 57.16 57.31 2ksm n GLU 100 Cb 0.64 -1.61 0.96 0.00 1.43 0.00 0.00 31.44 32.86 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 0.23 1.40 -0.36 -1.84 0.00 -2.03 -0.91 119.26 115.75 2ksm h ALA 101 Ca -0.50 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.51 2ksm h ALA 101 Cb 2.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 2ksm h ALA 101 CO 0.00 0.01 0.29 0.00 0.00 0.00 0.00 179.25 179.56 2ksm h ALA 102 N 1.99 2.21 -0.41 0.00 0.00 -2.00 0.51 119.26 121.57 2ksm h ALA 102 Ca -0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2ksm h ALA 102 Cb 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2ksm h ALA 102 CO 0.00 -0.47 -0.06 1.57 0.00 0.00 0.00 179.25 180.29 2ksm h LYS 103 N 0.00 0.69 -0.90 0.00 2.10 -1.40 -2.96 116.57 114.09 2ksm h LYS 103 Ca 0.17 -0.20 0.05 0.00 -2.00 0.00 0.00 60.65 58.68 2ksm h LYS 103 Cb 0.75 -0.07 -0.06 0.00 -0.90 0.00 0.00 32.23 31.95 2ksm h LYS 103 CO -0.00 0.75 0.58 0.00 -2.00 0.00 0.00 179.45 178.77 2ksm h ALA 104 N 1.30 1.23 -0.51 0.07 0.00 -1.05 1.03 119.26 121.33 2ksm h ALA 104 Ca 0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2ksm h ALA 104 Cb 0.49 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2ksm h ALA 104 CO 0.03 0.37 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 2ksm h ALA 105 N 1.40 0.99 0.00 0.00 0.00 -1.59 -0.80 119.26 119.27 2ksm h ALA 105 Ca 0.38 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ksm h ALA 105 Cb 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2ksm h ALA 105 CO -0.15 0.61 -0.00 1.25 0.00 0.00 0.00 179.25 180.96 2ksm h LEU 106 N 0.81 -0.00 -0.59 0.00 6.46 -1.36 -3.32 115.31 117.31 2ksm h LEU 106 Ca 0.15 -0.88 0.12 0.00 -0.12 0.00 0.00 57.88 57.15 2ksm h LEU 106 Cb 0.52 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.35 2ksm h LEU 106 CO 0.03 0.90 -0.09 0.24 -0.62 0.00 0.00 178.44 178.90 2ksm h MET 107 N -0.94 0.04 -0.03 1.25 2.86 0.11 1.30 114.93 119.52 2ksm h MET 107 Ca -0.00 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2ksm h MET 107 Cb 0.88 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 2ksm h MET 107 CO 0.00 0.03 0.49 1.79 1.06 0.00 0.00 176.91 180.28 2ksm h THR 108 N 0.04 0.02 0.09 2.22 1.35 -1.25 0.99 112.91 116.37 2ksm h THR 108 Ca 0.29 0.00 -0.29 0.00 -0.55 0.00 0.00 66.41 65.86 2ksm h THR 108 Cb 0.46 0.51 0.03 0.00 -1.73 0.00 0.00 68.15 67.42 2ksm h THR 108 CO -0.57 0.00 -1.20 0.00 -0.25 0.00 0.00 175.52 173.50 2ksm h ALA 109 N 1.04 0.03 -0.49 6.62 0.00 0.16 -3.22 119.26 123.40 2ksm h ALA 109 Ca 0.01 -0.76 0.04 0.00 0.00 0.00 0.00 54.91 54.20 2ksm h ALA 109 Cb 1.00 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2ksm h ALA 109 CO -0.00 0.70 0.32 -0.07 0.00 0.00 0.00 179.25 180.20 2ksm h LEU 110 N 0.30 0.44 -0.71 0.00 3.38 0.12 -1.86 115.31 116.97 2ksm h LEU 110 Ca -0.17 -0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.92 2ksm h LEU 110 Cb 1.87 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.50 2ksm h LEU 110 CO 0.23 0.30 1.00 0.78 0.09 0.00 0.00 178.44 180.84 2ksm h ASN 111 N 0.51 0.00 0.60 -0.43 4.21 -1.51 2.35 115.58 121.30 2ksm h ASN 111 Ca 0.20 0.00 -0.28 0.00 1.21 0.00 0.00 56.30 57.43 2ksm h ASN 111 Cb 0.17 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 2ksm h ASN 111 CO -0.05 0.00 -1.42 1.23 -1.29 0.00 0.00 177.43 175.90 2ksm h GLY 112 N 0.00 0.17 0.94 2.83 0.00 -1.56 -3.33 103.07 102.12 2ksm h GLY 112 Ca 0.21 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 2ksm h GLY 112 CO -0.00 0.38 -1.25 1.04 0.00 0.00 0.00 176.54 176.71 2ksm n LEU 113 N -3.36 0.81 -4.34 3.11 4.77 0.74 -4.89 117.00 113.84 2ksm n LEU 113 Ca -0.12 0.33 -0.48 0.00 -0.03 0.00 0.00 56.01 55.71 2ksm n LEU 113 Cb 1.02 0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.98 2ksm n LEU 113 CO 0.49 -0.02 2.00 -0.11 -1.33 0.00 0.00 177.39 178.41 2ksm n LEU 114 N -2.76 0.47 -4.62 2.23 0.00 0.17 -4.89 117.00 107.61 2ksm n LEU 114 Ca -0.05 0.38 -0.24 0.00 0.00 0.00 0.00 56.01 56.10 2ksm n LEU 114 Cb 0.69 -0.90 -0.08 0.00 0.00 0.00 0.00 43.42 43.13 2ksm n LEU 114 CO 0.42 -0.73 -0.33 0.00 0.00 0.00 0.00 177.39 176.75 2ksm s ALA 115 N 7.65 3.15 0.22 1.96 0.00 -1.26 -5.02 121.76 128.46 2ksm s ALA 115 Ca 1.28 -1.83 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 2ksm s ALA 115 Cb -1.34 -0.54 -0.09 0.00 0.00 0.00 0.00 23.12 21.15 2ksm s ALA 115 CO 0.55 0.17 1.36 -1.25 0.00 0.00 0.00 175.76 176.58 2ksm s PRO 116 N -3.68 4.35 -0.08 0.00 0.04 -1.26 -2.43 135.00 131.93 2ksm s PRO 116 Ca 0.33 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.51 2ksm s PRO 116 Cb -0.03 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2ksm s PRO 116 CO 0.19 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2ksm n GLY 117 N 2.31 0.29 3.71 0.56 0.00 -1.26 -4.96 105.19 105.84 2ksm n GLY 117 Ca 0.06 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.50 4.61 -0.11 1.61 0.11 -1.02 -5.02 120.40 119.08 2ksm s VAL 118 Ca 0.00 1.94 -0.05 0.00 -2.93 0.00 0.00 61.98 60.94 2ksm s VAL 118 Cb 0.00 -4.24 -0.04 0.00 -1.53 0.00 0.00 36.38 30.57 2ksm s VAL 118 CO 0.00 0.18 0.07 0.20 -3.33 0.00 0.00 175.10 172.22 2ksm s ASN 119 N 0.80 5.80 -0.04 3.54 0.02 -1.08 -4.93 114.94 119.04 2ksm s ASN 119 Ca 0.52 0.29 0.05 0.00 -1.02 0.00 0.00 52.86 52.70 2ksm s ASN 119 Cb -0.23 -1.79 -0.02 0.00 0.02 0.00 0.00 41.25 39.22 2ksm s ASN 119 CO 0.29 0.37 -0.19 0.68 0.02 0.00 0.00 177.10 178.27 2ksm s VAL 120 N -0.82 2.61 -0.49 1.60 -7.23 -1.26 -2.70 120.40 112.11 2ksm s VAL 120 Ca 0.13 -0.89 0.05 0.00 -1.81 0.00 0.00 61.98 59.46 2ksm s VAL 120 Cb -0.12 -1.98 0.18 0.00 0.56 0.00 0.00 36.38 35.02 2ksm s VAL 120 CO 0.03 0.58 0.41 -0.38 -0.31 0.00 0.00 175.10 175.44 2ksm n ILE 121 N 2.47 -0.32 -4.07 -0.62 5.41 -0.78 -4.93 119.36 116.52 2ksm n ILE 121 Ca -0.17 -3.91 -0.33 0.00 1.00 0.00 0.00 62.75 59.34 2ksm n ILE 121 Cb 0.52 -1.83 -0.15 0.00 -0.71 0.00 0.00 39.64 37.46 2ksm n ILE 121 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2ksm s ASP 122 N -0.55 3.74 -0.29 4.38 1.01 -1.26 -2.93 116.67 120.77 2ksm s ASP 122 Ca 0.32 -0.86 0.02 0.00 0.71 0.00 0.00 52.55 52.73 2ksm s ASP 122 Cb 0.04 -1.55 0.08 0.00 1.01 0.00 0.00 42.92 42.50 2ksm s ASP 122 CO -0.18 -0.07 -0.01 -1.10 0.21 0.00 0.00 175.17 174.02 2ksm s GLN 123 N 1.26 1.58 -0.02 8.23 1.11 -1.09 -5.03 119.66 125.70 2ksm s GLN 123 Ca 0.01 -1.38 0.04 0.00 0.01 0.00 0.00 55.36 54.04 2ksm s GLN 123 Cb -0.15 -2.78 -0.03 0.00 -1.01 0.00 0.00 33.01 29.03 2ksm s GLN 123 CO -0.09 -0.76 -0.14 0.96 0.01 0.00 0.00 175.29 175.27 2ksm s ILE 124 N 1.19 3.12 0.12 1.08 -0.00 -1.26 -3.08 121.20 122.37 2ksm s ILE 124 Ca 0.01 -0.82 0.04 0.00 -0.00 0.00 0.00 60.65 59.88 2ksm s ILE 124 Cb -0.19 -2.27 -0.04 0.00 -0.00 0.00 0.00 42.46 39.97 2ksm s ILE 124 CO -0.09 0.50 0.10 -1.00 -0.00 0.00 0.00 174.94 174.46 2ksm s HIS 125 N -0.82 3.17 0.14 1.37 3.76 -0.95 -4.83 115.29 117.12 2ksm s HIS 125 Ca 0.13 0.03 -0.17 0.00 -0.15 0.00 0.00 55.06 54.90 2ksm s HIS 125 Cb -0.11 -1.57 -0.07 0.00 1.11 0.00 0.00 32.58 31.94 2ksm s HIS 125 CO 0.03 0.52 0.60 0.08 -0.85 0.00 0.00 174.74 175.12 2ksm s VAL 126 N -1.54 4.74 -0.52 -0.90 1.01 -1.26 0.13 120.40 122.07 2ksm s VAL 126 Ca 0.30 1.07 0.07 0.00 0.00 0.00 0.00 61.98 63.42 2ksm s VAL 126 Cb -0.11 -3.82 0.19 0.00 0.00 0.00 0.00 36.38 32.64 2ksm s VAL 126 CO 0.23 0.33 0.73 0.47 0.00 0.00 0.00 175.10 176.86 2ksm n ASP 127 N 1.06 -3.40 0.00 3.32 8.00 0.10 -4.89 116.55 120.74 2ksm n ASP 127 Ca -0.06 -2.93 0.00 0.00 0.71 0.00 0.00 54.79 52.51 2ksm n ASP 127 Cb 0.51 1.73 0.00 0.00 -0.02 0.00 0.00 41.12 43.35 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 2.87 0.00 -0.12 -0.24 -0.02 -1.21 -1.91 135.00 134.37 2ksm n PRO 128 Ca 0.18 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.43 2ksm n PRO 128 Cb 0.56 -1.45 -0.10 0.00 -0.02 0.00 0.00 33.50 32.49 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 -0.85 1.36 -0.34 -1.45 0.31 -1.26 -4.61 118.33 111.48 2ksm n VAL 129 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2ksm n VAL 129 Cb 0.00 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 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 -3.77 0.00 -3.77 2.52 0.24 -0.80 -4.72 118.33 108.03 2ksm n VAL 130 Ca -0.46 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 61.74 2ksm n VAL 130 Cb 0.88 -1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.20 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 -2.08 0.93 0.28 7.34 0.52 -1.26 -4.88 118.95 119.79 2ksm s ARG 131 Ca 0.00 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 2ksm s ARG 131 Cb 0.00 0.39 -0.03 0.00 0.52 0.00 0.00 34.95 35.83 2ksm s ARG 131 CO 0.00 -0.32 0.28 -1.12 0.02 0.00 0.00 175.30 174.15 2ksm s SER 132 N -2.79 0.85 0.37 0.23 0.01 -1.26 -4.39 113.70 106.73 2ksm s SER 132 Ca 0.04 -1.51 -0.28 0.00 1.31 0.00 0.00 55.95 55.51 2ksm s SER 132 Cb 0.03 0.52 -0.10 0.00 0.21 0.00 0.00 66.02 66.68 2ksm s SER 132 CO -0.11 -1.03 1.40 -0.76 0.41 0.00 0.00 173.24 173.15 2ksm s LEU 133 N -3.24 4.31 -0.74 2.44 1.02 -1.26 -4.92 118.68 116.30 2ksm s LEU 133 Ca 0.37 2.87 -0.26 0.00 0.02 0.00 0.00 54.13 57.13 2ksm s LEU 133 Cb 0.03 -3.72 0.04 0.00 0.02 0.00 0.00 46.19 42.56 2ksm s LEU 133 CO 0.19 -0.80 1.22 -1.81 0.02 0.00 0.00 176.35 175.18 2ksm s ASP 134 N -0.37 6.18 0.00 2.29 1.01 -1.26 -4.84 116.67 119.67 2ksm s ASP 134 Ca 0.53 -0.60 0.24 0.00 0.71 0.00 0.00 52.55 53.43 2ksm s ASP 134 Cb -0.43 -2.53 1.42 0.00 1.01 0.00 0.00 42.92 42.38 2ksm s ASP 134 CO 0.57 -1.75 1.91 2.22 0.21 0.00 0.00 175.17 178.34 2ksm n PHE 135 N 9.02 0.00 -0.45 4.23 1.16 -1.26 -4.05 117.46 126.11 2ksm n PHE 135 Ca 0.03 -0.00 0.38 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 39.02 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 0.03 0.23 -0.48 5.98 0.02 -1.95 1.61 113.55 119.00 2ksm h SER 136 Ca 0.00 0.15 -0.34 0.00 -0.84 0.00 0.00 61.79 60.76 2ksm h SER 136 Cb 0.01 0.15 -0.26 0.00 0.14 0.00 0.00 62.40 62.44 2ksm h SER 136 CO 0.00 -0.23 -0.63 -1.20 -1.14 0.00 0.00 176.83 173.63 2ksm n SER 137 N -4.74 3.76 0.08 3.07 7.64 -1.26 -4.60 113.62 117.57 2ksm n SER 137 Ca 0.39 -3.81 -0.00 0.00 1.01 0.00 0.00 58.87 56.46 2ksm n SER 137 Cb 1.49 -0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 64.21 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 1.71 0.62 0.11 -0.43 0.00 0.21 -3.23 119.26 118.25 2ksm h ALA 138 Ca 0.24 -0.71 0.01 0.00 0.00 0.00 0.00 54.91 54.44 2ksm h ALA 138 Cb 1.34 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 2ksm h ALA 138 CO 0.50 0.87 -0.34 0.93 0.00 0.00 0.00 179.25 181.21 2ksm h GLU 139 N 0.00 -0.49 -1.00 0.00 4.39 -1.82 2.35 114.58 118.01 2ksm h GLU 139 Ca -0.08 0.03 0.19 0.00 0.34 0.00 0.00 59.36 59.85 2ksm h GLU 139 Cb 1.55 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 30.20 2ksm h GLU 139 CO 0.07 -0.33 0.61 -1.00 -1.16 0.00 0.00 179.01 177.21 2ksm h PRO 140 N -0.51 0.70 0.10 2.33 0.13 -1.93 0.68 132.00 133.51 2ksm h PRO 140 Ca -0.01 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2ksm h PRO 140 Cb 0.50 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.47 2ksm h PRO 140 CO -0.17 0.47 -0.05 0.28 -0.23 0.00 0.00 178.00 178.29 2ksm h VAL 141 N 0.72 0.00 -0.99 1.56 2.07 -1.20 -2.54 116.25 115.87 2ksm h VAL 141 Ca 0.57 -0.29 0.27 0.00 0.82 0.00 0.00 66.70 68.07 2ksm h VAL 141 Cb 0.94 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.58 2ksm h VAL 141 CO -0.36 0.00 0.56 0.15 0.02 0.00 0.00 177.57 177.94 2ksm h PHE 142 N -0.43 0.95 0.00 1.57 3.57 0.40 1.61 116.94 124.61 2ksm h PHE 142 Ca -0.01 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2ksm h PHE 142 Cb 0.11 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2ksm h PHE 142 CO 0.04 -0.03 -0.20 1.79 -2.23 0.00 0.00 178.31 177.69 2ksm h THR 143 N 0.48 1.08 0.00 4.41 1.35 0.27 0.63 112.91 121.13 2ksm h THR 143 Ca 0.67 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2ksm h THR 143 Cb 1.35 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 2ksm h THR 143 CO -0.52 0.19 0.00 0.00 -0.25 0.00 0.00 175.52 174.94 2ksm h ALA 144 N 1.80 1.00 -0.09 6.62 0.00 0.28 -2.56 119.26 126.31 2ksm h ALA 144 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ksm h ALA 144 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ksm h ALA 144 CO 0.03 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.73 2ksm n SER 145 N -2.78 2.11 -0.14 0.00 2.88 -0.07 -4.65 113.62 110.98 2ksm n SER 145 Ca 0.01 -1.58 -0.09 0.00 -1.33 0.00 0.00 58.87 55.88 2ksm n SER 145 Cb 0.30 -0.06 -0.01 0.00 -0.75 0.00 0.00 64.21 63.69 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 1.96 1.22 0.00 2.46 2.07 -0.53 -2.85 116.25 120.58 2ksm h VAL 146 Ca 0.00 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2ksm h VAL 146 Cb 0.50 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2ksm h VAL 146 CO 0.00 0.25 0.00 -0.81 0.02 0.00 0.00 177.57 177.03 2ksm n PRO 147 N -4.59 0.23 -3.43 1.57 -0.04 -1.26 -3.98 135.00 123.50 2ksm n PRO 147 Ca -0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.21 2ksm n PRO 147 Cb 0.18 -1.11 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.06 -1.91 0.52 1.01 -1.08 -4.99 121.20 113.62 2ksm s ILE 148 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 60.65 59.31 2ksm s ILE 148 Cb 0.00 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.52 2ksm s ILE 148 CO 0.00 -0.81 0.73 -0.81 0.00 0.00 0.00 174.94 174.05 2ksm n PRO 149 N 4.26 0.77 -0.82 2.79 -0.04 -1.26 -2.89 135.00 137.80 2ksm n PRO 149 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2ksm n PRO 149 Cb 0.40 -1.03 0.18 0.00 -0.04 0.00 0.00 33.50 33.01 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 -0.44 2.29 -4.61 3.54 -0.08 -1.09 -0.95 116.55 115.21 2ksm n ASP 150 Ca 0.00 -3.87 -0.29 0.00 -1.51 0.00 0.00 54.79 49.12 2ksm n ASP 150 Cb 0.02 -0.53 -0.09 0.00 2.34 0.00 0.00 41.12 42.86 2ksm n ASP 150 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2ksm s PHE 151 N -3.29 2.79 0.11 -0.67 0.40 -0.81 -2.86 117.98 113.64 2ksm s PHE 151 Ca 0.41 -0.14 0.08 0.00 -0.60 0.00 0.00 56.93 56.69 2ksm s PHE 151 Cb 0.38 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 2ksm s PHE 151 CO -0.05 0.45 -0.21 0.20 0.70 0.00 0.00 175.22 176.32 2ksm s GLY 152 N -2.36 1.28 -0.11 4.36 0.00 -0.72 -2.09 107.32 107.68 2ksm s GLY 152 Ca 0.23 -1.29 0.03 0.00 0.00 0.00 0.00 44.72 43.69 2ksm s GLY 152 CO 0.15 -1.29 -0.20 -2.27 0.00 0.00 0.00 173.10 169.49 2ksm s LEU 153 N -1.99 1.95 -0.07 0.66 1.98 -0.63 -3.07 118.68 117.50 2ksm s LEU 153 Ca 0.08 -0.51 0.01 0.00 -2.89 0.00 0.00 54.13 50.82 2ksm s LEU 153 Cb -0.10 -1.27 0.02 0.00 0.66 0.00 0.00 46.19 45.51 2ksm s LEU 153 CO 0.05 0.09 -0.08 -0.75 -1.89 0.00 0.00 176.35 173.77 2ksm s LYS 154 N 0.63 1.30 -0.05 1.98 2.36 -0.24 -1.17 119.74 124.55 2ksm s LYS 154 Ca -0.13 -0.24 0.06 0.00 -2.55 0.00 0.00 55.97 53.11 2ksm s LYS 154 Cb -0.16 -1.23 -0.01 0.00 -1.05 0.00 0.00 37.83 35.37 2ksm s LYS 154 CO 0.03 -0.10 -0.23 0.08 1.55 0.00 0.00 175.35 176.68 2ksm s VAL 155 N 1.09 1.93 0.00 4.02 1.01 -1.18 0.64 120.40 127.91 2ksm s VAL 155 Ca -0.07 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.91 2ksm s VAL 155 Cb -0.14 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.60 2ksm s VAL 155 CO -0.01 0.54 0.00 1.21 0.00 0.00 0.00 175.10 176.84 2ksm n GLU 156 N 2.99 3.92 0.03 2.72 4.07 -0.18 -1.20 120.64 132.99 2ksm n GLU 156 Ca -0.18 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.91 2ksm n GLU 156 Cb 0.52 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.89 2ksm n GLU 156 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ksm h ARG 157 N 0.00 -0.10 -0.12 5.31 3.08 -1.85 -3.37 114.38 117.32 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 -0.07 0.00 -0.25 -1.07 0.00 0.00 179.97 178.58 2ksm n ASP 158 N -2.72 2.25 -4.50 7.04 8.00 -1.26 -4.10 116.55 121.26 2ksm n ASP 158 Ca -0.01 -1.90 -0.24 0.00 0.71 0.00 0.00 54.79 53.35 2ksm n ASP 158 Cb 0.04 -0.08 -0.11 0.00 -0.02 0.00 0.00 41.12 40.96 2ksm n ASP 158 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2ksm s THR 159 N -0.92 1.80 -0.05 -3.53 -4.23 -1.26 -3.92 115.64 103.53 2ksm s THR 159 Ca 0.09 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 2ksm s THR 159 Cb 0.05 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 71.26 2ksm s THR 159 CO 0.06 -0.17 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.26 2ksm s VAL 160 N -2.89 0.40 0.03 2.29 1.01 0.15 -1.01 120.40 120.37 2ksm s VAL 160 Ca 0.32 -0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.39 2ksm s VAL 160 Cb 0.05 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 2ksm s VAL 160 CO 0.15 0.21 -0.25 -0.89 0.00 0.00 0.00 175.10 174.32 2ksm s THR 161 N 1.21 2.21 -0.09 3.92 2.01 0.21 -0.48 115.64 124.63 2ksm s THR 161 Ca -0.07 -1.29 0.00 0.00 0.31 0.00 0.00 61.69 60.64 2ksm s THR 161 Cb -0.14 -1.85 0.02 0.00 0.01 0.00 0.00 72.50 70.55 2ksm s THR 161 CO -0.02 0.42 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.04 2ksm s LEU 162 N -1.11 1.23 -0.04 4.42 0.20 -0.23 -1.08 118.68 122.08 2ksm s LEU 162 Ca 0.12 -0.25 -0.02 0.00 0.69 0.00 0.00 54.13 54.67 2ksm s LEU 162 Cb -0.10 -0.74 0.03 0.00 -0.43 0.00 0.00 46.19 44.95 2ksm s LEU 162 CO 0.02 -0.09 0.09 0.42 -0.29 0.00 0.00 176.35 176.50 2ksm s THR 163 N 1.40 -0.07 -0.17 3.68 -4.23 -1.18 -1.77 115.64 113.31 2ksm s THR 163 Ca -0.02 0.23 -0.22 0.00 -1.18 0.00 0.00 61.69 60.50 2ksm s THR 163 Cb -0.13 -0.17 0.06 0.00 1.34 0.00 0.00 72.50 73.60 2ksm s THR 163 CO -0.04 0.09 0.59 -0.83 -0.54 0.00 0.00 174.62 173.89 2ksm s GLY 164 N 1.27 -0.45 -0.18 3.99 0.00 -1.26 -1.75 107.32 108.94 2ksm s GLY 164 Ca -0.07 1.47 -0.29 0.00 0.00 0.00 0.00 44.72 45.83 2ksm s GLY 164 CO -0.04 1.21 1.45 -0.51 0.00 0.00 0.00 173.10 175.21 2ksm s THR 165 N -0.18 3.95 0.11 0.90 -4.23 -1.14 -3.66 115.64 111.39 2ksm s THR 165 Ca -0.04 1.11 0.09 0.00 -1.18 0.00 0.00 61.69 61.67 2ksm s THR 165 Cb -0.03 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 2ksm s THR 165 CO 0.03 -0.23 -0.22 0.00 -0.54 0.00 0.00 174.62 173.66 2ksm s ALA 166 N 4.25 1.96 -1.43 3.99 0.00 -1.26 -4.79 121.76 124.48 2ksm s ALA 166 Ca 0.63 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2ksm s ALA 166 Cb -0.24 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2ksm s ALA 166 CO 0.23 0.40 0.48 -2.30 0.00 0.00 0.00 175.76 174.57 2ksm n PRO 167 N 1.01 0.00 -1.00 0.00 -0.01 -1.26 -4.55 135.00 129.19 2ksm n PRO 167 Ca -0.19 0.07 0.00 0.00 -0.01 0.00 0.00 63.50 63.37 2ksm n PRO 167 Cb 0.54 -1.52 0.00 0.00 -0.01 0.00 0.00 33.50 32.51 2ksm n PRO 167 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 175.50 175.92 2ksm n SER 168 N -0.98 -1.51 0.00 2.55 7.64 -1.26 -5.09 113.62 114.97 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 0.02 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 2ksm n SER 168 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2ksm n SER 169 N 0.00 0.00 0.27 6.43 2.88 -1.26 -4.94 113.62 117.01 2ksm n SER 169 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 2ksm n SER 169 Cb 0.00 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 63.86 2ksm n SER 169 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2ksm h GLU 170 N 0.00 0.00 -0.45 -1.46 5.08 -2.02 -0.76 114.58 114.97 2ksm h GLU 170 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.49 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 0.87 1.25 -1.00 0.00 0.00 179.01 180.13 2ksm h HIS 171 N 0.00 0.00 0.00 4.33 2.76 -2.03 1.78 115.15 121.99 2ksm h HIS 171 Ca 0.05 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.03 2ksm h HIS 171 Cb 1.51 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.44 2ksm h HIS 171 CO 0.00 0.00 -1.02 1.57 -1.30 0.00 0.00 177.93 177.18 2ksm h LYS 172 N 0.00 0.00 -0.55 5.26 2.10 -1.55 -3.34 116.57 118.49 2ksm h LYS 172 Ca 0.21 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.80 2ksm h LYS 172 Cb 1.95 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.26 2ksm h LYS 172 CO -0.00 0.73 0.10 -0.44 -2.00 0.00 0.00 179.45 177.84 2ksm h ASP 173 N 0.00 0.85 -0.85 7.07 5.19 0.25 -2.87 116.42 126.06 2ksm h ASP 173 Ca -0.06 -0.25 0.12 0.00 -0.62 0.00 0.00 57.03 56.21 2ksm h ASP 173 Cb 1.69 -0.23 -0.06 0.00 0.18 0.00 0.00 39.33 40.91 2ksm h ASP 173 CO 0.10 0.89 0.55 0.00 -3.12 0.00 0.00 179.24 177.66 2ksm h ALA 174 N 1.00 1.77 -0.37 3.45 0.00 -1.67 -0.07 119.26 123.38 2ksm h ALA 174 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2ksm h ALA 174 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2ksm h ALA 174 CO 0.01 0.03 -0.21 0.28 0.00 0.00 0.00 179.25 179.36 2ksm h VAL 175 N 0.74 1.27 -0.15 0.00 2.07 -1.67 -2.13 116.25 116.38 2ksm h VAL 175 Ca 0.41 -1.29 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 2ksm h VAL 175 Cb 0.55 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2ksm h VAL 175 CO -0.17 0.43 -0.23 0.50 0.02 0.00 0.00 177.57 178.12 2ksm h LYS 176 N 0.63 0.41 -0.61 1.57 3.64 -1.00 -2.91 116.57 118.29 2ksm h LYS 176 Ca 0.09 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.24 2ksm h LYS 176 Cb 0.69 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.50 2ksm h LYS 176 CO 0.05 0.83 0.39 -0.09 -2.27 0.00 0.00 179.45 178.37 2ksm h ARG 177 N 0.03 0.76 -0.98 1.90 2.43 -1.04 -0.53 114.38 116.94 2ksm h ARG 177 Ca 0.01 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2ksm h ARG 177 Cb 0.80 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.12 2ksm h ARG 177 CO 0.05 0.50 0.64 0.00 -1.51 0.00 0.00 179.97 179.66 2ksm h ALA 178 N 1.25 1.30 -0.14 2.80 0.00 -1.40 -2.72 119.26 120.35 2ksm h ALA 178 Ca 0.24 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 2ksm h ALA 178 Cb -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.41 2ksm h ALA 178 CO -0.08 0.54 -0.38 0.00 0.00 0.00 0.00 179.25 179.33 2ksm h ALA 179 N 1.40 0.24 -0.68 0.00 0.00 -1.22 -3.02 119.26 115.98 2ksm h ALA 179 Ca 0.39 -0.45 0.14 0.00 0.00 0.00 0.00 54.91 54.99 2ksm h ALA 179 Cb -0.01 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.62 2ksm h ALA 179 CO -0.12 0.33 -0.14 1.15 0.00 0.00 0.00 179.25 180.47 2ksm h THR 180 N 0.13 0.34 -0.22 0.00 2.02 -0.81 0.91 112.91 115.28 2ksm h THR 180 Ca -0.01 -0.01 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 2ksm h THR 180 Cb 1.00 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2ksm h THR 180 CO 0.08 0.00 -0.14 0.77 0.37 0.00 0.00 175.52 176.60 2ksm h SER 181 N 0.02 0.34 0.73 4.18 4.64 -1.54 -0.37 113.55 121.55 2ksm h SER 181 Ca 0.33 -0.08 -0.26 0.00 -0.47 0.00 0.00 61.79 61.31 2ksm h SER 181 Cb 0.52 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2ksm h SER 181 CO -0.68 0.52 -1.22 0.74 -0.87 0.00 0.00 176.83 175.32 2ksm h THR 182 N 0.33 1.51 -2.06 2.95 2.02 -0.36 -3.39 112.91 113.91 2ksm h THR 182 Ca 0.06 -3.14 -0.54 0.00 0.77 0.00 0.00 66.41 63.56 2ksm h THR 182 Cb 0.45 2.87 -0.40 0.00 -1.74 0.00 0.00 68.15 69.34 2ksm h THR 182 CO 0.03 0.90 -1.01 0.79 0.37 0.00 0.00 175.52 176.59 2ksm n TRP 183 N -3.44 0.86 0.06 3.16 8.01 0.28 -4.94 117.44 121.42 2ksm n TRP 183 Ca -0.07 -3.78 -0.10 0.00 -1.31 0.00 0.00 57.50 52.24 2ksm n TRP 183 Cb 1.00 -0.42 0.02 0.00 -2.01 0.00 0.00 31.31 29.90 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 3.60 0.38 0.00 -0.99 0.13 -1.26 -3.14 132.00 130.72 2ksm h PRO 184 Ca 0.10 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2ksm h PRO 184 Cb 0.84 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2ksm h PRO 184 CO 0.57 0.98 0.00 -3.47 -0.23 0.00 0.00 178.00 175.85 2ksm n ASP 185 N -3.81 0.00 -4.42 1.44 2.03 -1.26 -4.72 116.55 105.82 2ksm n ASP 185 Ca -0.04 -0.50 -0.33 0.00 0.52 0.00 0.00 54.79 54.43 2ksm n ASP 185 Cb 0.73 -0.15 -0.14 0.00 -0.72 0.00 0.00 41.12 40.84 2ksm n ASP 185 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2ksm s MET 186 N -2.30 3.07 0.02 -0.67 -1.94 -1.19 -5.07 119.30 111.22 2ksm s MET 186 Ca 0.35 -0.68 -0.31 0.00 -1.71 0.00 0.00 55.69 53.35 2ksm s MET 186 Cb 0.20 -2.55 -0.10 0.00 2.01 0.00 0.00 34.83 34.39 2ksm s MET 186 CO 0.39 0.37 1.95 1.63 -0.01 0.00 0.00 175.02 179.35 2ksm n LYS 187 N 3.06 2.71 -4.00 2.03 4.01 -1.25 -4.79 118.16 119.92 2ksm n LYS 187 Ca -0.18 0.99 -0.35 0.00 -0.51 0.00 0.00 58.31 58.27 2ksm n LYS 187 Cb 0.53 -2.92 -0.13 0.00 -0.51 0.00 0.00 35.03 31.99 2ksm n LYS 187 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2ksm s ILE 188 N 4.26 3.63 -0.32 -0.18 1.01 -1.26 0.34 121.20 128.67 2ksm s ILE 188 Ca 0.89 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 61.16 2ksm s ILE 188 Cb -0.50 -2.64 0.09 0.00 0.01 0.00 0.00 42.46 39.42 2ksm s ILE 188 CO 0.44 0.42 0.02 0.68 0.00 0.00 0.00 174.94 176.50 2ksm s VAL 189 N 1.27 2.38 -0.53 2.92 -7.23 0.37 -4.99 120.40 114.59 2ksm s VAL 189 Ca 0.03 -2.07 -0.08 0.00 -1.81 0.00 0.00 61.98 58.05 2ksm s VAL 189 Cb -0.14 -2.63 0.14 0.00 0.56 0.00 0.00 36.38 34.30 2ksm s VAL 189 CO -0.00 -0.42 0.39 0.20 -0.31 0.00 0.00 175.10 174.95 2ksm s ASN 190 N 1.06 5.69 -0.58 4.85 0.01 -1.26 -1.07 114.94 123.64 2ksm s ASN 190 Ca 0.04 -2.16 0.02 0.00 -0.71 0.00 0.00 52.86 50.05 2ksm s ASN 190 Cb -0.20 -1.99 0.14 0.00 0.41 0.00 0.00 41.25 39.62 2ksm s ASN 190 CO -0.06 -0.61 0.35 0.54 -1.51 0.00 0.00 177.10 175.80 2ksm s ASN 191 N 2.21 4.64 0.46 -1.22 2.20 -0.73 -4.97 114.94 117.53 2ksm s ASN 191 Ca 0.09 -3.09 -0.23 0.00 -0.94 0.00 0.00 52.86 48.69 2ksm s ASN 191 Cb -0.23 -1.70 -0.07 0.00 -2.00 0.00 0.00 41.25 37.24 2ksm s ASN 191 CO -0.02 -0.25 1.16 -0.63 -2.94 0.00 0.00 177.10 174.42 2ksm s ILE 192 N -0.40 3.14 -0.05 0.54 1.09 -1.26 -4.61 121.20 119.64 2ksm s ILE 192 Ca 0.18 0.85 -0.01 0.00 -1.10 0.00 0.00 60.65 60.57 2ksm s ILE 192 Cb -0.22 -3.43 0.03 0.00 -1.06 0.00 0.00 42.46 37.78 2ksm s ILE 192 CO -0.03 -0.02 0.03 -1.83 -0.10 0.00 0.00 174.94 172.99 2ksm s GLU 193 N -2.72 0.26 -0.34 2.79 -1.05 -1.24 -4.97 118.70 111.42 2ksm s GLU 193 Ca 0.64 0.22 -0.29 0.00 -0.15 0.00 0.00 54.97 55.39 2ksm s GLU 193 Cb -0.28 -0.69 -0.00 0.00 -0.44 0.00 0.00 34.13 32.72 2ksm s GLU 193 CO 0.34 -0.28 1.46 0.14 0.95 0.00 0.00 175.26 177.87 2ksm s VAL 194 N 1.88 3.87 -0.18 1.83 -7.23 -1.26 -4.32 120.40 114.99 2ksm s VAL 194 Ca 0.02 0.93 -0.07 0.00 -1.81 0.00 0.00 61.98 61.06 2ksm s VAL 194 Cb -0.12 -4.05 -0.04 0.00 0.56 0.00 0.00 36.38 32.73 2ksm s VAL 194 CO -0.04 -0.57 0.04 -0.89 -0.31 0.00 0.00 175.10 173.33 2ksm s THR 195 N 5.32 4.59 0.00 5.32 2.01 -1.26 -4.62 115.64 126.99 2ksm s THR 195 Ca 0.64 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.54 2ksm s THR 195 Cb -0.17 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.27 2ksm s THR 195 CO 0.30 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.30 2ksm n GLY 196 N 3.62 -0.37 7.00 4.40 0.00 -1.26 -5.00 105.19 113.57 2ksm n GLY 196 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.68 1.61 3.00 -1.26 -4.65 117.38 115.41 2ksm n GLN 197 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2ksm n GLN 197 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 30.24 30.41 2ksm n GLN 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ksm n ALA 198 N 0.10 -1.72 -1.27 -1.58 0.00 -1.26 -4.98 120.51 109.81 2ksm n ALA 198 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 53.44 52.45 2ksm n ALA 198 Cb 0.00 -2.04 0.12 0.00 0.00 0.00 0.00 19.45 17.54 2ksm n ALA 198 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ksm s PRO 199 N -4.29 1.53 0.58 0.00 0.04 -1.26 -5.02 135.00 126.58 2ksm s PRO 199 Ca 0.64 0.84 -0.05 0.00 0.04 0.00 0.00 61.00 62.47 2ksm s PRO 199 Cb -0.22 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.56 2ksm s PRO 199 CO 0.62 -2.06 0.18 -2.30 0.04 0.00 0.00 177.00 173.48 2ksm n PRO 200 N -3.76 0.34 0.00 0.56 -0.02 -1.26 -5.03 135.00 125.84 2ksm n PRO 200 Ca 0.07 -0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 2ksm n PRO 200 Cb 0.55 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 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 0.50 -1.90 3.44 -1.23 0.00 -1.26 -5.16 105.19 99.57 2ksm n GLY 201 Ca 0.03 0.88 -0.33 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 -0.23 0.00 1.61 -0.02 -1.26 -5.32 135.00 129.78 2ksm n PRO 202 Ca 0.00 -0.02 0.08 0.00 -2.02 0.00 0.00 63.50 61.54 2ksm n PRO 202 Cb 0.00 -1.90 0.50 0.00 -0.02 0.00 0.00 33.50 32.08 2ksm n PRO 202 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13