#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 0.00 -1.76 4.61 0.00 -1.26 -5.12 120.51 116.98 2ksm n ALA 74 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2ksm n ALA 74 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2ksm n ALA 74 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ksm s SER 75 N 0.00 5.84 0.23 0.00 0.01 -1.26 -4.93 113.70 113.59 2ksm s SER 75 Ca 0.00 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.36 2ksm s SER 75 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2ksm s SER 75 CO 0.00 -1.13 0.00 0.00 0.41 0.00 0.00 173.24 172.52 2ksm n ALA 76 N -1.30 1.98 -1.41 1.44 0.00 -1.26 -4.92 120.51 115.04 2ksm n ALA 76 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.30 2ksm n ALA 76 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 2ksm n ALA 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ksm n LEU 77 N -3.13 6.50 -4.13 0.00 7.94 -1.26 -4.87 117.00 118.05 2ksm n LEU 77 Ca 0.00 -3.95 -0.10 0.00 -1.11 0.00 0.00 56.01 50.85 2ksm n LEU 77 Cb 0.00 -1.33 -0.10 0.00 0.53 0.00 0.00 43.42 42.52 2ksm n LEU 77 CO 0.00 1.79 -0.38 -0.44 -1.11 0.00 0.00 177.39 177.25 2ksm s SER 78 N 0.96 0.95 0.02 1.96 0.01 -1.26 -5.15 113.70 111.20 2ksm s SER 78 Ca 0.61 -0.90 -0.13 0.00 1.31 0.00 0.00 55.95 56.85 2ksm s SER 78 Cb 0.32 0.10 -0.06 0.00 0.21 0.00 0.00 66.02 66.60 2ksm s SER 78 CO -0.13 -0.43 0.40 -0.76 0.41 0.00 0.00 173.24 172.73 2ksm s LEU 79 N -2.68 4.43 -0.40 2.44 1.02 -1.26 -5.05 118.68 117.18 2ksm s LEU 79 Ca 0.06 0.90 0.05 0.00 0.02 0.00 0.00 54.13 55.16 2ksm s LEU 79 Cb 0.02 -2.71 0.18 0.00 0.02 0.00 0.00 46.19 43.71 2ksm s LEU 79 CO -0.04 0.28 0.70 -0.94 0.02 0.00 0.00 176.35 176.36 2ksm s SER 80 N -1.31 -1.34 0.11 2.29 1.04 -1.26 -4.98 113.70 108.25 2ksm s SER 80 Ca 0.27 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.99 2ksm s SER 80 Cb -0.16 1.72 -0.04 0.00 0.10 0.00 0.00 66.02 67.64 2ksm s SER 80 CO 0.15 -0.14 -0.06 -1.48 0.98 0.00 0.00 173.24 172.68 2ksm s LEU 81 N 1.82 2.48 0.12 2.42 2.34 -1.26 -4.37 118.68 122.23 2ksm s LEU 81 Ca 0.16 -1.02 0.11 0.00 0.06 0.00 0.00 54.13 53.44 2ksm s LEU 81 Cb -0.03 -0.11 -0.04 0.00 -0.56 0.00 0.00 46.19 45.46 2ksm s LEU 81 CO -0.08 -0.46 -0.26 -0.76 -1.06 0.00 0.00 176.35 173.73 2ksm s LEU 82 N -3.07 2.31 -0.06 1.48 1.02 -1.17 -4.19 118.68 115.00 2ksm s LEU 82 Ca 0.13 -0.74 0.01 0.00 0.02 0.00 0.00 54.13 53.55 2ksm s LEU 82 Cb 0.05 -1.16 0.02 0.00 0.02 0.00 0.00 46.19 45.12 2ksm s LEU 82 CO -0.03 0.16 -0.06 -0.55 0.02 0.00 0.00 176.35 175.89 2ksm s SER 83 N -2.03 1.39 -0.10 2.29 0.15 -0.98 -2.78 113.70 111.65 2ksm s SER 83 Ca 0.13 -0.18 -0.03 0.00 0.70 0.00 0.00 55.95 56.57 2ksm s SER 83 Cb -0.10 -0.58 0.05 0.00 -1.71 0.00 0.00 66.02 63.68 2ksm s SER 83 CO 0.06 -0.07 0.10 -0.63 1.20 0.00 0.00 173.24 173.90 2ksm s ILE 84 N 1.16 -0.16 -0.06 6.45 1.01 -1.03 -1.56 121.20 127.01 2ksm s ILE 84 Ca -0.07 0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.83 2ksm s ILE 84 Cb -0.14 -0.33 0.01 0.00 0.01 0.00 0.00 42.46 42.01 2ksm s ILE 84 CO -0.01 0.03 -0.12 -0.44 0.00 0.00 0.00 174.94 174.40 2ksm s SER 85 N 2.20 1.72 -0.13 3.58 0.01 0.52 -2.01 113.70 119.60 2ksm s SER 85 Ca 0.04 -0.29 -0.02 0.00 1.31 0.00 0.00 55.95 56.99 2ksm s SER 85 Cb -0.13 -0.79 0.04 0.00 0.21 0.00 0.00 66.02 65.36 2ksm s SER 85 CO -0.06 0.03 0.02 -0.13 0.41 0.00 0.00 173.24 173.51 2ksm s ARG 86 N 0.64 0.62 -0.19 12.44 0.52 0.84 -1.18 118.95 132.64 2ksm s ARG 86 Ca -0.14 -0.14 -0.15 0.00 -0.52 0.00 0.00 55.73 54.78 2ksm s ARG 86 Cb -0.15 -1.52 -0.09 0.00 0.52 0.00 0.00 34.95 33.71 2ksm s ARG 86 CO 0.03 -0.47 -0.21 -1.13 0.02 0.00 0.00 175.30 173.55 2ksm n SER 87 N 5.11 1.89 0.00 0.23 3.41 -1.19 -0.57 113.62 122.50 2ksm n SER 87 Ca -0.08 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 2ksm n SER 87 Cb 0.49 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 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 1.46 2.46 5.00 5.00 0.00 -1.11 -3.36 105.19 114.65 2ksm n GLY 88 Ca -0.23 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2ksm n GLY 88 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ksm n ASN 89 N 0.00 0.00 -4.78 1.61 2.85 -1.26 -4.81 115.26 108.88 2ksm n ASN 89 Ca 0.00 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.22 2ksm n ASN 89 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 2ksm n ASN 89 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2ksm s THR 90 N 0.00 4.30 0.00 -0.44 -4.23 -1.26 -3.65 115.64 110.36 2ksm s THR 90 Ca 0.00 -1.27 0.07 0.00 -1.18 0.00 0.00 61.69 59.32 2ksm s THR 90 Cb 0.00 -3.23 -0.02 0.00 1.34 0.00 0.00 72.50 70.59 2ksm s THR 90 CO 0.00 -0.19 -0.23 0.68 -0.54 0.00 0.00 174.62 174.35 2ksm s VAL 91 N -1.88 1.81 -0.22 2.29 -7.23 -1.16 -4.17 120.40 109.84 2ksm s VAL 91 Ca 0.31 -1.06 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 2ksm s VAL 91 Cb -0.09 -1.52 0.05 0.00 0.56 0.00 0.00 36.38 35.38 2ksm s VAL 91 CO 0.23 0.43 -0.11 0.42 -0.31 0.00 0.00 175.10 175.76 2ksm s THR 92 N -0.62 1.82 -0.09 5.32 -4.23 -0.32 -2.52 115.64 114.99 2ksm s THR 92 Ca 0.09 -1.21 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 2ksm s THR 92 Cb -0.09 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 71.89 2ksm s THR 92 CO 0.00 0.11 0.02 -0.76 -0.54 0.00 0.00 174.62 173.45 2ksm s LEU 93 N 1.30 0.61 -0.03 4.79 1.02 -1.18 -0.35 118.68 124.84 2ksm s LEU 93 Ca -0.03 -0.20 -0.00 0.00 0.02 0.00 0.00 54.13 53.91 2ksm s LEU 93 Cb -0.17 -0.42 0.03 0.00 0.02 0.00 0.00 46.19 45.65 2ksm s LEU 93 CO -0.08 -0.23 0.04 0.27 0.02 0.00 0.00 176.35 176.38 2ksm s ILE 94 N 1.99 -0.07 0.00 -0.59 -4.36 -0.60 -1.64 121.20 115.93 2ksm s ILE 94 Ca 0.04 0.25 0.00 0.00 -0.26 0.00 0.00 60.65 60.68 2ksm s ILE 94 Cb -0.13 -0.10 0.00 0.00 1.25 0.00 0.00 42.46 43.48 2ksm s ILE 94 CO -0.06 0.10 0.00 0.61 0.24 0.00 0.00 174.94 175.84 2ksm n GLY 95 N 4.36 1.64 2.93 6.27 0.00 -1.23 -2.33 105.19 116.83 2ksm n GLY 95 Ca -0.24 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 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 2.00 1.80 0.16 1.61 1.11 -1.26 -2.58 116.67 119.51 2ksm s ASP 96 Ca 0.00 -0.25 0.05 0.00 0.18 0.00 0.00 52.55 52.52 2ksm s ASP 96 Cb 0.00 -0.74 -0.04 0.00 1.07 0.00 0.00 42.92 43.21 2ksm s ASP 96 CO 0.00 -0.07 0.15 -0.36 1.18 0.00 0.00 175.17 176.07 2ksm s PHE 97 N 1.28 3.19 0.05 4.23 0.40 0.53 -4.81 117.98 122.85 2ksm s PHE 97 Ca -0.04 0.00 -0.17 0.00 -0.60 0.00 0.00 56.93 56.13 2ksm s PHE 97 Cb -0.14 -1.53 -0.18 0.00 0.51 0.00 0.00 43.02 41.67 2ksm s PHE 97 CO -0.03 0.52 1.23 -1.00 0.70 0.00 0.00 175.22 176.64 2ksm h PRO 98 N 2.40 0.58 0.00 0.24 0.13 -1.84 0.36 132.00 133.87 2ksm h PRO 98 Ca -0.48 -0.50 -0.39 0.00 -0.87 0.00 0.00 66.00 63.76 2ksm h PRO 98 Cb 1.20 0.11 -0.09 0.00 0.13 0.00 0.00 31.00 32.35 2ksm h PRO 98 CO 0.64 1.13 -0.35 -0.25 -0.23 0.00 0.00 178.00 178.93 2ksm n ASP 99 N -4.14 0.36 -0.03 1.44 9.92 -1.26 -2.22 116.55 120.62 2ksm n ASP 99 Ca -0.08 -2.63 -0.17 0.00 -0.53 0.00 0.00 54.79 51.37 2ksm n ASP 99 Cb 0.66 1.00 -0.14 0.00 -0.64 0.00 0.00 41.12 42.00 2ksm n ASP 99 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2ksm n GLU 100 N -0.59 0.71 0.29 -1.24 0.28 -1.26 -4.10 120.64 114.74 2ksm n GLU 100 Ca 0.00 0.23 0.15 0.00 -0.16 0.00 0.00 57.16 57.38 2ksm n GLU 100 Cb 0.46 -1.68 0.89 0.00 1.43 0.00 0.00 31.44 32.55 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 0.31 1.54 -0.63 -1.84 0.00 -2.03 -1.47 119.26 115.14 2ksm h ALA 101 Ca -0.44 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.59 2ksm h ALA 101 Cb 2.02 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.77 2ksm h ALA 101 CO 0.05 0.01 0.43 0.00 0.00 0.00 0.00 179.25 179.73 2ksm h ALA 102 N 1.99 2.12 -0.66 0.00 0.00 -2.00 0.37 119.26 121.09 2ksm h ALA 102 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2ksm h ALA 102 Cb 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2ksm h ALA 102 CO 0.00 -0.28 0.37 1.57 0.00 0.00 0.00 179.25 180.91 2ksm h LYS 103 N 0.34 0.90 -0.56 0.00 2.10 -1.50 -2.72 116.57 115.14 2ksm h LYS 103 Ca 0.30 -0.09 0.09 0.00 -2.00 0.00 0.00 60.65 58.95 2ksm h LYS 103 Cb 0.71 -0.19 -0.07 0.00 -0.90 0.00 0.00 32.23 31.78 2ksm h LYS 103 CO -0.08 0.65 0.17 0.00 -2.00 0.00 0.00 179.45 178.20 2ksm h ALA 104 N 1.50 0.68 -0.44 0.07 0.00 -1.07 1.13 119.26 121.13 2ksm h ALA 104 Ca 0.23 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2ksm h ALA 104 Cb 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2ksm h ALA 104 CO -0.04 -0.25 0.24 0.00 0.00 0.00 0.00 179.25 179.20 2ksm h ALA 105 N 1.40 1.61 0.11 0.00 0.00 -1.55 -0.53 119.26 120.30 2ksm h ALA 105 Ca 0.28 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 2ksm h ALA 105 Cb 0.36 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2ksm h ALA 105 CO -0.32 0.33 -0.82 1.25 0.00 0.00 0.00 179.25 179.70 2ksm h LEU 106 N 0.60 0.37 -0.28 0.00 6.46 -1.12 -3.35 115.31 117.99 2ksm h LEU 106 Ca 0.16 -0.93 0.06 0.00 -0.12 0.00 0.00 57.88 57.05 2ksm h LEU 106 Cb 0.01 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 39.75 2ksm h LEU 106 CO -0.03 1.38 -0.16 0.24 -0.62 0.00 0.00 178.44 179.25 2ksm h MET 107 N -0.47 -0.13 -0.09 1.25 2.86 0.15 0.55 114.93 119.04 2ksm h MET 107 Ca -0.16 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2ksm h MET 107 Cb 1.56 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 33.25 2ksm h MET 107 CO 0.10 -0.09 0.65 1.79 1.06 0.00 0.00 176.91 180.43 2ksm h THR 108 N -0.14 0.03 0.21 2.22 1.35 -1.23 1.65 112.91 117.00 2ksm h THR 108 Ca 0.15 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.69 2ksm h THR 108 Cb 0.36 0.37 0.03 0.00 -1.73 0.00 0.00 68.15 67.18 2ksm h THR 108 CO -0.36 0.00 -1.39 0.00 -0.25 0.00 0.00 175.52 173.52 2ksm h ALA 109 N 0.78 -0.08 -0.76 6.62 0.00 -0.03 -3.28 119.26 122.51 2ksm h ALA 109 Ca 0.04 -0.85 0.02 0.00 0.00 0.00 0.00 54.91 54.13 2ksm h ALA 109 Cb 1.35 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 2ksm h ALA 109 CO -0.00 0.75 0.50 -0.07 0.00 0.00 0.00 179.25 180.43 2ksm h LEU 110 N 0.16 0.83 -0.43 0.00 3.38 0.27 -1.56 115.31 117.96 2ksm h LEU 110 Ca -0.22 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.76 2ksm h LEU 110 Cb 2.09 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.64 2ksm h LEU 110 CO 0.26 0.58 0.91 0.78 0.09 0.00 0.00 178.44 181.05 2ksm h ASN 111 N 0.96 0.00 0.52 -0.43 2.35 -1.53 2.46 115.58 119.92 2ksm h ASN 111 Ca 0.29 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.75 2ksm h ASN 111 Cb -0.02 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2ksm h ASN 111 CO -0.08 0.00 -1.53 1.23 -1.65 0.00 0.00 177.43 175.40 2ksm h GLY 112 N 0.00 0.16 0.83 2.83 0.00 -1.49 -3.36 103.07 102.05 2ksm h GLY 112 Ca 0.04 -0.42 -0.23 0.00 0.00 0.00 0.00 47.33 46.73 2ksm h GLY 112 CO -0.00 0.36 -1.66 -0.10 0.00 0.00 0.00 176.54 175.14 2ksm n LEU 113 N -3.33 0.73 -4.18 3.11 7.94 0.77 -4.91 117.00 117.13 2ksm n LEU 113 Ca -0.15 0.33 -0.58 0.00 -1.11 0.00 0.00 56.01 54.50 2ksm n LEU 113 Cb 1.03 0.16 -0.12 0.00 0.53 0.00 0.00 43.42 45.02 2ksm n LEU 113 CO 0.48 0.27 1.72 -0.11 -1.11 0.00 0.00 177.39 178.64 2ksm n LEU 114 N -2.91 0.71 -4.61 -1.96 -0.00 0.21 -4.90 117.00 103.55 2ksm n LEU 114 Ca -0.15 0.64 -0.24 0.00 -0.00 0.00 0.00 56.01 56.26 2ksm n LEU 114 Cb 0.95 -0.88 -0.09 0.00 -0.00 0.00 0.00 43.42 43.40 2ksm n LEU 114 CO 0.44 -0.75 -0.33 0.00 -0.00 0.00 0.00 177.39 176.74 2ksm s ALA 115 N 6.03 3.13 -0.17 1.96 0.00 -1.26 -5.00 121.76 126.45 2ksm s ALA 115 Ca 1.19 -1.90 -0.29 0.00 0.00 0.00 0.00 51.96 50.95 2ksm s ALA 115 Cb -1.46 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 2ksm s ALA 115 CO 0.64 0.13 1.46 -1.25 0.00 0.00 0.00 175.76 176.74 2ksm s PRO 116 N -3.68 4.07 0.00 0.00 0.04 -1.26 -2.48 135.00 131.69 2ksm s PRO 116 Ca 0.34 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2ksm s PRO 116 Cb -0.02 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.62 2ksm s PRO 116 CO 0.19 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.69 2ksm n GLY 117 N 4.10 0.60 3.74 0.56 0.00 -1.26 -5.03 105.19 107.91 2ksm n GLY 117 Ca 0.16 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 4.05 -0.13 1.61 0.11 -1.04 -5.04 120.40 117.97 2ksm s VAL 118 Ca 0.00 1.78 -0.07 0.00 -2.93 0.00 0.00 61.98 60.76 2ksm s VAL 118 Cb 0.00 -4.14 -0.04 0.00 -1.53 0.00 0.00 36.38 30.67 2ksm s VAL 118 CO 0.00 0.31 0.14 0.21 -3.33 0.00 0.00 175.10 172.43 2ksm s ASN 119 N -0.21 6.36 -0.02 3.54 3.84 -1.24 -4.93 114.94 122.28 2ksm s ASN 119 Ca 0.48 0.44 0.06 0.00 0.21 0.00 0.00 52.86 54.05 2ksm s ASN 119 Cb -0.27 -2.07 -0.01 0.00 -0.55 0.00 0.00 41.25 38.35 2ksm s ASN 119 CO 0.33 0.39 -0.20 -0.69 -2.79 0.00 0.00 177.10 174.14 2ksm s VAL 120 N -0.90 1.60 -0.41 -5.21 1.01 -1.26 -2.97 120.40 112.26 2ksm s VAL 120 Ca 0.14 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2ksm s VAL 120 Cb -0.12 -1.33 0.16 0.00 0.00 0.00 0.00 36.38 35.09 2ksm s VAL 120 CO 0.03 0.45 0.32 -0.63 0.00 0.00 0.00 175.10 175.28 2ksm s ILE 121 N -0.42 0.41 -0.20 2.22 1.09 -1.05 -4.97 121.20 118.27 2ksm s ILE 121 Ca 0.06 -2.56 -0.01 0.00 -1.10 0.00 0.00 60.65 57.04 2ksm s ILE 121 Cb -0.08 -1.30 0.01 0.00 -1.06 0.00 0.00 42.46 40.03 2ksm s ILE 121 CO -0.00 -1.19 -0.12 1.51 -0.10 0.00 0.00 174.94 175.03 2ksm s ASP 122 N 0.16 3.70 -0.27 3.58 -4.77 -1.26 -3.12 116.67 114.70 2ksm s ASP 122 Ca 0.30 -0.54 0.01 0.00 -3.30 0.00 0.00 52.55 49.02 2ksm s ASP 122 Cb -0.01 -1.60 0.08 0.00 -1.09 0.00 0.00 42.92 40.30 2ksm s ASP 122 CO -0.16 -0.01 0.01 -1.10 0.70 0.00 0.00 175.17 174.60 2ksm s GLN 123 N 1.38 1.28 0.01 2.11 1.11 -0.65 -5.01 119.66 119.89 2ksm s GLN 123 Ca 0.05 -1.13 0.08 0.00 0.01 0.00 0.00 55.36 54.37 2ksm s GLN 123 Cb -0.14 -2.51 -0.02 0.00 -1.01 0.00 0.00 33.01 29.33 2ksm s GLN 123 CO -0.08 -0.77 -0.26 0.42 0.01 0.00 0.00 175.29 174.61 2ksm s ILE 124 N 1.40 2.04 0.11 1.08 1.01 -1.26 -3.56 121.20 122.01 2ksm s ILE 124 Ca 0.02 -1.23 0.02 0.00 0.00 0.00 0.00 60.65 59.46 2ksm s ILE 124 Cb -0.18 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 2ksm s ILE 124 CO -0.12 0.45 0.18 -2.28 0.00 0.00 0.00 174.94 173.17 2ksm s HIS 125 N -0.70 3.34 0.15 3.97 2.46 -1.07 -4.89 115.29 118.55 2ksm s HIS 125 Ca 0.11 0.12 -0.17 0.00 0.47 0.00 0.00 55.06 55.58 2ksm s HIS 125 Cb -0.10 -1.65 -0.07 0.00 -0.13 0.00 0.00 32.58 30.63 2ksm s HIS 125 CO 0.01 0.54 0.61 0.08 -2.47 0.00 0.00 174.74 173.51 2ksm s VAL 126 N -1.58 4.73 -0.48 0.89 1.01 -1.26 -0.35 120.40 123.36 2ksm s VAL 126 Ca 0.32 1.08 0.06 0.00 0.00 0.00 0.00 61.98 63.45 2ksm s VAL 126 Cb -0.12 -3.82 0.19 0.00 0.00 0.00 0.00 36.38 32.63 2ksm s VAL 126 CO 0.25 0.32 0.73 -1.81 0.00 0.00 0.00 175.10 174.59 2ksm s ASP 127 N -1.53 -1.39 0.00 3.32 1.01 0.13 -4.90 116.67 113.31 2ksm s ASP 127 Ca 0.37 -1.37 0.00 0.00 0.71 0.00 0.00 52.55 52.26 2ksm s ASP 127 Cb -0.17 1.81 0.00 0.00 1.01 0.00 0.00 42.92 45.57 2ksm s ASP 127 CO 0.20 -0.08 0.23 -2.65 0.21 0.00 0.00 175.17 173.08 2ksm n PRO 128 N 3.35 0.00 -0.03 8.23 -0.02 -0.94 0.37 135.00 145.96 2ksm n PRO 128 Ca 0.15 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.65 2ksm n PRO 128 Cb 0.57 -1.44 -0.09 0.00 -0.02 0.00 0.00 33.50 32.52 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 -0.70 0.31 -0.56 -1.45 0.31 -1.26 -5.02 118.33 109.96 2ksm n VAL 129 Ca 0.00 -0.34 -0.31 0.00 -0.01 0.00 0.00 64.34 63.68 2ksm n VAL 129 Cb 0.00 -0.17 0.28 0.00 -0.91 0.00 0.00 33.84 33.04 2ksm n VAL 129 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2ksm s VAL 130 N -2.57 1.25 -0.04 2.52 0.11 0.16 -5.02 120.40 116.81 2ksm s VAL 130 Ca -0.05 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.98 2ksm s VAL 130 Cb 0.06 -2.19 0.03 0.00 -1.53 0.00 0.00 36.38 32.74 2ksm s VAL 130 CO 0.46 0.00 0.10 -0.13 -3.33 0.00 0.00 175.10 172.20 2ksm s ARG 131 N -5.22 0.07 0.32 1.54 0.52 -1.26 -4.82 118.95 110.09 2ksm s ARG 131 Ca 0.70 0.24 0.02 0.00 -0.52 0.00 0.00 55.73 56.17 2ksm s ARG 131 Cb -0.11 -0.11 -0.02 0.00 0.52 0.00 0.00 34.95 35.23 2ksm s ARG 131 CO 0.57 -0.11 0.34 -1.54 0.02 0.00 0.00 175.30 174.58 2ksm s SER 132 N 0.73 1.15 0.26 0.23 1.04 -1.26 -4.72 113.70 111.13 2ksm s SER 132 Ca -0.06 -1.58 -0.30 0.00 0.48 0.00 0.00 55.95 54.49 2ksm s SER 132 Cb -0.08 0.58 -0.10 0.00 0.10 0.00 0.00 66.02 66.52 2ksm s SER 132 CO -0.03 -1.13 1.31 -0.76 0.98 0.00 0.00 173.24 173.61 2ksm s LEU 133 N -3.28 4.43 -0.82 2.42 1.02 -1.26 -4.87 118.68 116.31 2ksm s LEU 133 Ca 0.36 2.54 -0.25 0.00 0.02 0.00 0.00 54.13 56.80 2ksm s LEU 133 Cb 0.02 -3.63 -0.08 0.00 0.02 0.00 0.00 46.19 42.52 2ksm s LEU 133 CO 0.22 -0.52 2.13 -1.81 0.02 0.00 0.00 176.35 176.39 2ksm s ASP 134 N -0.09 4.68 0.52 2.29 1.01 -1.26 -4.76 116.67 119.06 2ksm s ASP 134 Ca 0.53 -0.26 0.29 0.00 0.71 0.00 0.00 52.55 53.82 2ksm s ASP 134 Cb -0.38 -2.55 1.57 0.00 1.01 0.00 0.00 42.92 42.57 2ksm s ASP 134 CO 0.45 -3.12 1.87 -0.26 0.21 0.00 0.00 175.17 174.31 2ksm h PHE 135 N 12.49 0.00 -1.22 4.23 0.04 -1.92 -2.75 116.94 127.80 2ksm h PHE 135 Ca 0.02 0.00 0.43 0.00 2.80 0.00 0.00 57.97 61.22 2ksm h PHE 135 Cb 1.03 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.03 2ksm h PHE 135 CO 1.17 0.00 0.76 0.66 -0.60 0.00 0.00 178.31 180.30 2ksm h SER 136 N 0.00 0.28 -0.39 2.17 4.64 -1.92 0.73 113.55 119.05 2ksm h SER 136 Ca 0.00 0.17 -0.29 0.00 -0.47 0.00 0.00 61.79 61.20 2ksm h SER 136 Cb 0.30 0.17 -0.23 0.00 -0.31 0.00 0.00 62.40 62.32 2ksm h SER 136 CO 0.00 -0.25 -0.68 -1.20 -0.87 0.00 0.00 176.83 173.82 2ksm n SER 137 N -4.87 3.35 0.07 4.97 7.64 -1.04 -4.63 113.62 119.11 2ksm n SER 137 Ca 0.37 -3.76 -0.02 0.00 1.01 0.00 0.00 58.87 56.47 2ksm n SER 137 Cb 1.38 -0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 64.09 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 1.64 0.60 0.18 -0.43 0.00 0.34 -3.23 119.26 118.37 2ksm h ALA 138 Ca 0.18 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2ksm h ALA 138 Cb 1.30 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 2ksm h ALA 138 CO 0.40 0.99 -0.35 0.93 0.00 0.00 0.00 179.25 181.21 2ksm h GLU 139 N 0.00 -0.55 -0.91 0.00 4.39 -1.78 1.93 114.58 117.66 2ksm h GLU 139 Ca -0.09 0.04 0.20 0.00 0.34 0.00 0.00 59.36 59.85 2ksm h GLU 139 Cb 1.62 0.13 -0.12 0.00 -0.10 0.00 0.00 28.75 30.28 2ksm h GLU 139 CO 0.08 -0.37 0.45 -1.00 -1.16 0.00 0.00 179.01 177.01 2ksm h PRO 140 N -0.57 0.49 0.12 2.33 0.13 -1.92 0.69 132.00 133.26 2ksm h PRO 140 Ca -0.02 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2ksm h PRO 140 Cb 0.54 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2ksm h PRO 140 CO -0.13 0.32 -0.06 0.28 -0.23 0.00 0.00 178.00 178.18 2ksm h VAL 141 N 0.50 0.00 -1.02 1.56 2.07 -1.31 -2.53 116.25 115.53 2ksm h VAL 141 Ca 0.55 -0.25 0.28 0.00 0.82 0.00 0.00 66.70 68.11 2ksm h VAL 141 Cb 0.98 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.62 2ksm h VAL 141 CO -0.47 0.00 0.60 0.15 0.02 0.00 0.00 177.57 177.87 2ksm h PHE 142 N -0.42 0.94 0.00 1.57 3.57 0.32 1.71 116.94 124.62 2ksm h PHE 142 Ca -0.02 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2ksm h PHE 142 Cb 0.13 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2ksm h PHE 142 CO 0.05 -0.04 -0.20 1.79 -2.23 0.00 0.00 178.31 177.67 2ksm h THR 143 N 0.45 1.10 0.00 4.41 1.35 0.31 0.12 112.91 120.65 2ksm h THR 143 Ca 0.68 -0.70 -0.01 0.00 -0.55 0.00 0.00 66.41 65.83 2ksm h THR 143 Cb 1.48 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 69.28 2ksm h THR 143 CO -0.51 0.20 -0.03 0.00 -0.25 0.00 0.00 175.52 174.92 2ksm h ALA 144 N 1.80 1.00 -0.29 6.62 0.00 0.30 -2.85 119.26 125.84 2ksm h ALA 144 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ksm h ALA 144 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ksm h ALA 144 CO 0.03 0.04 0.00 0.45 0.00 0.00 0.00 179.25 179.77 2ksm n SER 145 N -3.13 2.76 -0.12 0.00 2.88 -0.24 -4.69 113.62 111.09 2ksm n SER 145 Ca 0.01 -1.99 -0.08 0.00 -1.33 0.00 0.00 58.87 55.49 2ksm n SER 145 Cb 0.38 -0.19 0.01 0.00 -0.75 0.00 0.00 64.21 63.65 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 1.71 1.06 0.00 2.46 2.07 -0.59 -2.00 116.25 120.96 2ksm h VAL 146 Ca 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2ksm h VAL 146 Cb 0.69 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2ksm h VAL 146 CO 0.00 0.09 0.00 -0.81 0.02 0.00 0.00 177.57 176.87 2ksm n PRO 147 N -4.85 0.48 -3.51 1.57 -0.04 -1.26 -3.93 135.00 123.46 2ksm n PRO 147 Ca 0.01 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.20 2ksm n PRO 147 Cb 0.05 -1.23 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 2ksm n PRO 147 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2ksm n ILE 148 N 0.21 0.12 1.73 0.52 5.41 -0.75 -4.94 119.36 121.65 2ksm n ILE 148 Ca 0.00 -4.16 0.00 0.00 1.00 0.00 0.00 62.75 59.59 2ksm n ILE 148 Cb 0.11 -1.91 0.00 0.00 -0.71 0.00 0.00 39.64 37.13 2ksm n ILE 148 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2ksm n PRO 149 N 2.11 0.95 -0.80 0.38 -0.04 -1.25 -3.22 135.00 133.13 2ksm n PRO 149 Ca 0.26 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.75 2ksm n PRO 149 Cb 0.44 -1.09 0.18 0.00 -0.04 0.00 0.00 33.50 33.00 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 -0.40 1.95 -0.33 3.54 2.03 -1.18 -2.75 116.55 119.41 2ksm n ASP 150 Ca 0.00 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.54 2ksm n ASP 150 Cb 0.04 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 2ksm n ASP 150 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 2ksm n PHE 151 N -0.98 0.00 -3.64 -0.67 -1.74 0.27 -4.17 117.46 106.52 2ksm n PHE 151 Ca 0.20 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 57.07 2ksm n PHE 151 Cb 0.74 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.71 2ksm n PHE 151 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 2ksm s GLY 152 N -0.18 -0.07 -0.11 4.97 0.00 -1.07 -0.11 107.32 110.75 2ksm s GLY 152 Ca 0.00 2.32 -0.05 0.00 0.00 0.00 0.00 44.72 46.99 2ksm s GLY 152 CO 0.00 0.84 0.07 1.08 0.00 0.00 0.00 173.10 175.09 2ksm s LEU 153 N -1.59 4.00 -0.08 0.66 2.01 -0.85 -3.26 118.68 119.57 2ksm s LEU 153 Ca 0.11 0.31 -0.01 0.00 0.01 0.00 0.00 54.13 54.55 2ksm s LEU 153 Cb -0.01 -1.95 0.03 0.00 0.01 0.00 0.00 46.19 44.27 2ksm s LEU 153 CO -0.05 0.39 -0.02 -0.75 1.01 0.00 0.00 176.35 176.93 2ksm s LYS 154 N -0.93 0.84 -0.06 1.70 2.36 -0.31 -2.46 119.74 120.89 2ksm s LYS 154 Ca 0.14 0.00 0.05 0.00 -2.55 0.00 0.00 55.97 53.61 2ksm s LYS 154 Cb -0.12 -1.09 -0.02 0.00 -1.05 0.00 0.00 37.83 35.56 2ksm s LYS 154 CO 0.03 -0.26 -0.22 0.08 1.55 0.00 0.00 175.35 176.53 2ksm s VAL 155 N 1.77 2.35 0.00 4.02 1.01 -1.12 0.44 120.40 128.87 2ksm s VAL 155 Ca 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2ksm s VAL 155 Cb -0.13 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.38 2ksm s VAL 155 CO -0.05 0.57 0.00 1.21 0.00 0.00 0.00 175.10 176.83 2ksm n GLU 156 N 2.80 3.91 0.17 2.72 4.07 0.59 -3.04 120.64 131.86 2ksm n GLU 156 Ca -0.17 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 56.86 2ksm n GLU 156 Cb 0.52 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.87 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 -0.42 0.00 5.31 3.08 -1.99 -3.38 114.38 116.97 2ksm h ARG 157 Ca 0.00 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 2ksm h ARG 157 Cb 0.00 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 2ksm h ARG 157 CO 0.00 -0.28 -0.34 -3.47 -1.07 0.00 0.00 179.97 174.80 2ksm n ASP 158 N -3.37 1.25 -4.31 7.04 -0.08 -1.26 -4.83 116.55 110.99 2ksm n ASP 158 Ca -0.05 -2.65 -0.17 0.00 -1.51 0.00 0.00 54.79 50.40 2ksm n ASP 158 Cb 0.17 -0.34 -0.10 0.00 2.34 0.00 0.00 41.12 43.19 2ksm n ASP 158 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2ksm s THR 159 N -1.54 1.47 -0.04 5.18 2.01 -1.26 -4.37 115.64 117.09 2ksm s THR 159 Ca 0.21 -2.14 0.01 0.00 0.31 0.00 0.00 61.69 60.08 2ksm s THR 159 Cb 0.19 -2.02 0.02 0.00 0.01 0.00 0.00 72.50 70.70 2ksm s THR 159 CO -0.01 -0.61 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.59 2ksm s VAL 160 N -3.14 0.38 -0.02 3.82 1.01 0.89 -0.30 120.40 123.04 2ksm s VAL 160 Ca 0.21 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.21 2ksm s VAL 160 Cb 0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 2ksm s VAL 160 CO 0.05 0.18 -0.18 -0.89 0.00 0.00 0.00 175.10 174.27 2ksm s THR 161 N 0.90 1.41 -0.09 3.92 2.01 0.17 -1.81 115.64 122.15 2ksm s THR 161 Ca -0.11 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.18 2ksm s THR 161 Cb -0.14 -1.17 -0.00 0.00 0.01 0.00 0.00 72.50 71.20 2ksm s THR 161 CO -0.01 0.40 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.87 2ksm s LEU 162 N -0.39 2.06 -0.03 4.42 0.20 -0.16 -1.16 118.68 123.63 2ksm s LEU 162 Ca 0.06 -0.53 -0.01 0.00 0.69 0.00 0.00 54.13 54.34 2ksm s LEU 162 Cb -0.07 -1.37 0.03 0.00 -0.43 0.00 0.00 46.19 44.35 2ksm s LEU 162 CO -0.01 0.18 0.07 0.42 -0.29 0.00 0.00 176.35 176.72 2ksm s THR 163 N 0.22 -0.06 -0.24 3.68 -4.23 -1.20 -1.61 115.64 112.19 2ksm s THR 163 Ca -0.15 0.22 -0.15 0.00 -1.18 0.00 0.00 61.69 60.43 2ksm s THR 163 Cb -0.17 -0.13 0.07 0.00 1.34 0.00 0.00 72.50 73.61 2ksm s THR 163 CO 0.07 0.09 0.59 -0.83 -0.54 0.00 0.00 174.62 174.01 2ksm s GLY 164 N 1.17 -0.51 0.03 3.99 0.00 -1.26 -2.61 107.32 108.12 2ksm s GLY 164 Ca -0.08 2.03 -0.30 0.00 0.00 0.00 0.00 44.72 46.36 2ksm s GLY 164 CO -0.04 2.01 1.05 -0.51 0.00 0.00 0.00 173.10 175.61 2ksm s THR 165 N 1.29 4.58 0.09 0.90 -4.23 -1.26 -3.20 115.64 113.81 2ksm s THR 165 Ca -0.08 1.86 -0.01 0.00 -1.18 0.00 0.00 61.69 62.29 2ksm s THR 165 Cb -0.06 -4.19 -0.04 0.00 1.34 0.00 0.00 72.50 69.55 2ksm s THR 165 CO -0.14 0.15 0.01 0.00 -0.54 0.00 0.00 174.62 174.11 2ksm s ALA 166 N 0.97 0.71 -0.04 3.99 0.00 -0.24 -4.84 121.76 122.31 2ksm s ALA 166 Ca 0.54 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 51.18 2ksm s ALA 166 Cb -0.24 0.58 0.17 0.00 0.00 0.00 0.00 23.12 23.63 2ksm s ALA 166 CO 0.29 -0.43 0.82 -2.30 0.00 0.00 0.00 175.76 174.14 2ksm n PRO 167 N -0.00 0.03 -1.33 0.00 -0.02 -1.26 -3.64 135.00 128.78 2ksm n PRO 167 Ca -0.10 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2ksm n PRO 167 Cb 0.62 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 -1.52 -1.80 0.00 2.55 7.64 -1.26 -4.92 113.62 114.31 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 0.46 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2ksm n SER 168 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2ksm n SER 169 N 0.00 0.00 0.25 6.43 3.41 -1.26 -4.94 113.62 117.51 2ksm n SER 169 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 2ksm n SER 169 Cb 0.00 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.38 2ksm n SER 169 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2ksm h GLU 170 N 0.00 0.00 -0.52 4.33 4.11 -2.02 -0.87 114.58 119.61 2ksm h GLU 170 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.58 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 0.85 0.45 0.07 0.00 0.00 179.01 180.38 2ksm h HIS 171 N 0.00 0.00 0.00 2.06 3.86 -2.02 1.78 115.15 120.83 2ksm h HIS 171 Ca 0.07 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.13 2ksm h HIS 171 Cb 1.51 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.96 2ksm h HIS 171 CO 0.00 0.00 -0.86 1.57 0.86 0.00 0.00 177.93 179.50 2ksm h LYS 172 N 0.00 0.00 -0.03 2.45 2.10 -1.58 -3.36 116.57 116.16 2ksm h LYS 172 Ca 0.25 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.93 2ksm h LYS 172 Cb 1.93 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 33.21 2ksm h LYS 172 CO -0.00 0.59 -0.33 -0.44 -2.00 0.00 0.00 179.45 177.28 2ksm h ASP 173 N 0.00 -0.99 -0.83 7.07 3.32 0.25 -1.16 116.42 124.08 2ksm h ASP 173 Ca -0.05 0.13 0.13 0.00 0.02 0.00 0.00 57.03 57.26 2ksm h ASP 173 Cb 1.56 0.40 -0.09 0.00 0.22 0.00 0.00 39.33 41.42 2ksm h ASP 173 CO 0.08 -0.38 0.44 0.00 -1.72 0.00 0.00 179.24 177.65 2ksm h ALA 174 N 0.27 1.23 -0.37 3.45 0.00 -1.70 0.21 119.26 122.35 2ksm h ALA 174 Ca 0.07 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2ksm h ALA 174 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2ksm h ALA 174 CO -0.29 -0.04 0.23 0.28 0.00 0.00 0.00 179.25 179.44 2ksm h VAL 175 N 0.66 1.11 -0.22 0.00 2.07 -1.51 -0.09 116.25 118.27 2ksm h VAL 175 Ca 0.44 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.67 2ksm h VAL 175 Cb 0.55 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2ksm h VAL 175 CO -0.33 0.11 -0.03 0.50 0.02 0.00 0.00 177.57 177.85 2ksm h LYS 176 N 0.49 0.41 -0.76 1.57 3.11 -0.18 -2.37 116.57 118.84 2ksm h LYS 176 Ca 0.13 -0.15 0.05 0.00 -2.81 0.00 0.00 60.65 57.87 2ksm h LYS 176 Cb -0.02 -0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.13 2ksm h LYS 176 CO -0.03 0.63 0.47 -0.09 -2.81 0.00 0.00 179.45 177.62 2ksm h ARG 177 N 0.16 0.86 -0.60 1.90 2.43 -0.46 0.54 114.38 119.21 2ksm h ARG 177 Ca 0.06 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2ksm h ARG 177 Cb 0.46 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 2ksm h ARG 177 CO 0.02 0.57 0.22 0.00 -1.51 0.00 0.00 179.97 179.27 2ksm h ALA 178 N 1.35 0.78 -0.13 2.80 0.00 -0.93 -1.83 119.26 121.30 2ksm h ALA 178 Ca 0.32 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2ksm h ALA 178 Cb 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2ksm h ALA 178 CO -0.14 0.42 -0.07 0.00 0.00 0.00 0.00 179.25 179.45 2ksm h ALA 179 N 1.08 0.19 -0.47 0.00 0.00 -0.89 -2.75 119.26 116.41 2ksm h ALA 179 Ca 0.20 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2ksm h ALA 179 Cb 0.23 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 2ksm h ALA 179 CO -0.01 -0.01 0.19 1.79 0.00 0.00 0.00 179.25 181.21 2ksm h THR 180 N -0.06 0.89 0.00 0.00 1.35 -0.84 0.27 112.91 114.51 2ksm h THR 180 Ca 0.03 -0.13 -0.02 0.00 -0.55 0.00 0.00 66.41 65.73 2ksm h THR 180 Cb 0.54 0.46 -0.00 0.00 -1.73 0.00 0.00 68.15 67.42 2ksm h THR 180 CO 0.02 0.07 -0.10 0.28 -0.25 0.00 0.00 175.52 175.54 2ksm h SER 181 N 0.39 0.00 0.87 5.36 0.02 -1.34 0.89 113.55 119.74 2ksm h SER 181 Ca 0.22 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.98 2ksm h SER 181 Cb 0.19 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 2ksm h SER 181 CO -0.20 0.10 -1.22 0.71 -1.14 0.00 0.00 176.83 175.08 2ksm h THR 182 N 0.00 0.83 -1.75 -2.27 1.35 -0.83 -3.40 112.91 106.84 2ksm h THR 182 Ca -0.00 -2.40 -0.47 0.00 -0.55 0.00 0.00 66.41 62.99 2ksm h THR 182 Cb 0.25 2.32 -0.37 0.00 -1.73 0.00 0.00 68.15 68.62 2ksm h THR 182 CO 0.01 0.47 -1.08 0.79 -0.25 0.00 0.00 175.52 175.46 2ksm n TRP 183 N -3.06 -0.35 0.16 4.73 8.01 0.81 -4.88 117.44 122.85 2ksm n TRP 183 Ca -0.07 -3.53 0.02 0.00 -1.31 0.00 0.00 57.50 52.61 2ksm n TRP 183 Cb 0.88 -0.15 0.22 0.00 -2.01 0.00 0.00 31.31 30.25 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 3.27 0.00 -0.28 -0.99 0.13 0.56 -3.14 132.00 131.56 2ksm h PRO 184 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2ksm h PRO 184 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2ksm h PRO 184 CO 0.45 0.51 0.00 -3.47 -0.23 0.00 0.00 178.00 175.26 2ksm n ASP 185 N -3.59 2.23 -4.35 1.44 2.03 -1.26 -4.84 116.55 108.21 2ksm n ASP 185 Ca -0.00 -1.84 -0.33 0.00 0.52 0.00 0.00 54.79 53.14 2ksm n ASP 185 Cb 0.59 -0.18 -0.15 0.00 -0.72 0.00 0.00 41.12 40.66 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 -1.64 3.33 -0.88 -0.67 -1.94 -1.19 -5.02 119.30 111.30 2ksm s MET 186 Ca 0.33 -0.71 -0.32 0.00 -1.71 0.00 0.00 55.69 53.28 2ksm s MET 186 Cb 0.18 -2.58 -0.20 0.00 2.01 0.00 0.00 34.83 34.24 2ksm s MET 186 CO 0.26 0.21 2.60 1.63 -0.01 0.00 0.00 175.02 179.72 2ksm n LYS 187 N 3.51 0.13 -3.80 2.03 5.02 -1.26 -4.75 118.16 119.05 2ksm n LYS 187 Ca -0.18 0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 55.75 2ksm n LYS 187 Cb 0.53 -1.72 -0.13 0.00 -0.02 0.00 0.00 35.03 33.69 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 8.99 4.07 -0.29 -0.18 -1.09 -1.25 -0.08 121.20 131.38 2ksm s ILE 188 Ca 1.30 -0.25 0.00 0.00 -2.23 0.00 0.00 60.65 59.47 2ksm s ILE 188 Cb -1.17 -2.89 0.09 0.00 -1.58 0.00 0.00 42.46 36.91 2ksm s ILE 188 CO 0.48 0.36 0.05 0.54 -1.23 0.00 0.00 174.94 175.14 2ksm s VAL 189 N 1.56 1.25 -0.40 2.92 0.11 -0.75 -5.03 120.40 120.06 2ksm s VAL 189 Ca 0.06 -1.45 -0.08 0.00 -2.93 0.00 0.00 61.98 57.59 2ksm s VAL 189 Cb -0.15 -1.82 0.07 0.00 -1.53 0.00 0.00 36.38 32.95 2ksm s VAL 189 CO 0.02 -0.48 0.21 0.20 -3.33 0.00 0.00 175.10 171.72 2ksm s ASN 190 N 1.46 5.50 -0.62 3.54 0.02 -1.26 -0.98 114.94 122.60 2ksm s ASN 190 Ca 0.05 -1.47 0.00 0.00 -1.02 0.00 0.00 52.86 50.43 2ksm s ASN 190 Cb -0.18 -1.94 0.16 0.00 0.02 0.00 0.00 41.25 39.31 2ksm s ASN 190 CO -0.16 -0.48 0.41 0.20 0.02 0.00 0.00 177.10 177.09 2ksm s ASN 191 N 1.89 4.92 0.41 -1.22 0.01 -0.64 -4.97 114.94 115.35 2ksm s ASN 191 Ca 0.02 -3.08 -0.24 0.00 -0.71 0.00 0.00 52.86 48.86 2ksm s ASN 191 Cb -0.22 -1.76 -0.09 0.00 0.41 0.00 0.00 41.25 39.59 2ksm s ASN 191 CO 0.01 -0.28 1.07 -0.63 -1.51 0.00 0.00 177.10 175.76 2ksm s ILE 192 N -0.39 3.63 0.22 0.60 1.09 -1.26 -4.43 121.20 120.66 2ksm s ILE 192 Ca 0.19 1.24 0.01 0.00 -1.10 0.00 0.00 60.65 60.98 2ksm s ILE 192 Cb -0.20 -3.63 -0.05 0.00 -1.06 0.00 0.00 42.46 37.52 2ksm s ILE 192 CO -0.04 -0.01 0.08 -1.61 -0.10 0.00 0.00 174.94 173.27 2ksm s GLU 193 N -2.56 1.26 0.73 2.79 2.02 -1.19 -4.99 118.70 116.75 2ksm s GLU 193 Ca 0.59 -1.66 -0.11 0.00 0.02 0.00 0.00 54.97 53.82 2ksm s GLU 193 Cb -0.23 -0.09 0.03 0.00 0.10 0.00 0.00 34.13 33.94 2ksm s GLU 193 CO 0.28 -0.28 1.07 0.14 0.02 0.00 0.00 175.26 176.49 2ksm s VAL 194 N -3.86 3.73 -0.84 2.63 -7.23 -1.26 -1.08 120.40 112.50 2ksm s VAL 194 Ca 0.34 0.56 -0.23 0.00 -1.81 0.00 0.00 61.98 60.85 2ksm s VAL 194 Cb 0.07 -3.25 0.07 0.00 0.56 0.00 0.00 36.38 33.84 2ksm s VAL 194 CO 0.10 -0.74 1.19 0.42 -0.31 0.00 0.00 175.10 175.77 2ksm s THR 195 N -3.03 4.20 0.41 5.32 -4.23 -1.24 -4.67 115.64 112.41 2ksm s THR 195 Ca 0.59 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 2ksm s THR 195 Cb -0.15 -4.85 0.00 0.00 1.34 0.00 0.00 72.50 68.84 2ksm s THR 195 CO 0.55 -1.68 0.00 0.61 -0.54 0.00 0.00 174.62 173.57 2ksm n GLY 196 N 5.78 -5.07 3.54 3.99 0.00 -1.26 -4.36 105.19 107.81 2ksm n GLY 196 Ca 0.14 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 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 0.42 0.17 -3.41 1.61 3.00 -1.26 -4.87 117.38 113.05 2ksm n GLN 197 Ca 0.00 -1.53 -0.23 0.00 -0.01 0.00 0.00 57.00 55.23 2ksm n GLN 197 Cb 0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 30.24 26.75 2ksm n GLN 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ksm s ALA 198 N 13.76 3.76 0.69 -1.58 0.00 -1.26 -5.09 121.76 132.03 2ksm s ALA 198 Ca 0.77 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 2ksm s ALA 198 Cb 0.02 -2.05 0.01 0.00 0.00 0.00 0.00 23.12 21.10 2ksm s ALA 198 CO 0.23 -0.04 1.06 -1.25 0.00 0.00 0.00 175.76 175.77 2ksm s PRO 199 N -4.30 2.92 -0.18 0.00 0.04 -1.26 -4.91 135.00 127.31 2ksm s PRO 199 Ca 0.41 1.03 -0.42 0.00 0.04 0.00 0.00 61.00 62.05 2ksm s PRO 199 Cb -0.10 -1.99 -0.19 0.00 0.04 0.00 0.00 34.50 32.27 2ksm s PRO 199 CO 0.35 -1.12 1.33 -2.30 0.04 0.00 0.00 177.00 175.31 2ksm n PRO 200 N -2.99 0.21 0.00 0.56 -0.02 -1.26 -4.27 135.00 127.24 2ksm n PRO 200 Ca 0.08 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2ksm n PRO 200 Cb 0.53 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 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 2.66 0.76 0.25 -1.23 0.00 -1.26 -5.02 105.19 101.35 2ksm n GLY 201 Ca 0.24 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 2ksm n GLY 201 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksm h PRO 202 N 0.00 0.61 -0.01 1.61 0.11 -1.96 -3.52 132.00 128.84 2ksm h PRO 202 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2ksm h PRO 202 Cb 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.97 2ksm h PRO 202 CO 0.00 0.40 0.00 -0.35 -0.21 0.00 0.00 178.00 177.84