#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kas n GLU 87 N 0.00 2.65 -2.31 -3.83 -0.58 -1.26 -5.10 120.64 110.21 3kas n GLU 87 Ca 0.00 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.48 3kas n GLU 87 Cb 0.00 0.00 0.12 0.00 -0.57 0.00 0.00 31.44 30.99 3kas n GLU 87 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3kas s LEU 88 N 0.00 2.87 0.55 -4.62 1.43 -1.26 -4.93 118.68 112.72 3kas s LEU 88 Ca 0.00 0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 52.90 3kas s LEU 88 Cb 0.00 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 3kas s LEU 88 CO 0.00 -2.05 1.26 -2.84 0.23 0.00 0.00 176.35 172.95 3kas s PRO 89 N -5.38 3.15 0.15 1.29 0.02 -1.26 -4.89 135.00 128.08 3kas s PRO 89 Ca 0.67 1.98 0.08 0.00 0.02 0.00 0.00 61.00 63.75 3kas s PRO 89 Cb -0.06 -2.13 -0.04 0.00 0.02 0.00 0.00 34.50 32.29 3kas s PRO 89 CO 0.47 -1.10 -0.08 -1.54 -0.33 0.00 0.00 177.00 174.42 3kas s SER 90 N -1.31 4.39 0.17 2.53 1.04 0.20 -4.92 113.70 115.79 3kas s SER 90 Ca 0.73 -0.48 0.10 0.00 0.48 0.00 0.00 55.95 56.79 3kas s SER 90 Cb -0.34 -0.81 -0.04 0.00 0.10 0.00 0.00 66.02 64.93 3kas s SER 90 CO 0.39 0.13 -0.22 -0.76 0.98 0.00 0.00 173.24 173.76 3kas s LEU 91 N -2.61 2.41 -0.04 2.42 1.43 -1.00 0.40 118.68 121.70 3kas s LEU 91 Ca 0.24 -0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 52.36 3kas s LEU 91 Cb -0.10 -1.03 0.03 0.00 0.03 0.00 0.00 46.19 45.12 3kas s LEU 91 CO 0.15 0.07 0.32 0.00 0.23 0.00 0.00 176.35 177.12 3kas s MET 93 N -1.01 3.18 0.00 0.00 1.75 -1.26 -0.33 119.30 121.63 3kas s MET 93 Ca -0.11 -0.79 0.00 0.00 -1.25 0.00 0.00 55.69 53.54 3kas s MET 93 Cb -0.05 -2.50 0.00 0.00 2.84 0.00 0.00 34.83 35.13 3kas s MET 93 CO 0.04 0.11 0.00 -0.11 -0.65 0.00 0.00 175.02 174.41 3kas n LEU 94 N 3.76 0.68 0.00 4.11 7.94 0.15 -4.90 117.00 128.74 3kas n LEU 94 Ca -0.19 0.17 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 3kas n LEU 94 Cb 0.52 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 44.17 3kas n LEU 94 CO 0.29 -0.30 0.00 -0.46 -1.11 0.00 0.00 177.39 175.80 3kas n ASN 95 N -1.70 1.10 0.00 1.96 0.23 -1.24 -5.00 115.26 110.61 3kas n ASN 95 Ca 0.00 -0.20 0.06 0.00 -0.53 0.00 0.00 54.58 53.90 3kas n ASN 95 Cb 0.00 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 37.98 3kas n ASN 95 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3kas n ASN 96 N -0.39 0.00 -0.00 0.53 3.02 -1.26 -2.63 115.26 114.53 3kas n ASN 96 Ca 0.00 0.30 0.07 0.00 -0.03 0.00 0.00 54.58 54.92 3kas n ASN 96 Cb 0.00 -0.39 -0.10 0.00 -0.61 0.00 0.00 39.78 38.69 3kas n ASN 96 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3kas n SER 97 N -1.39 0.91 -3.68 6.41 7.64 -1.26 -4.86 113.62 117.39 3kas n SER 97 Ca 0.04 -0.62 -0.21 0.00 1.01 0.00 0.00 58.87 59.09 3kas n SER 97 Cb 0.12 1.20 -0.18 0.00 -1.01 0.00 0.00 64.21 64.34 3kas n SER 97 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3kas s PHE 98 N -2.61 0.18 0.17 1.43 0.08 -1.08 -4.77 117.98 111.38 3kas s PHE 98 Ca 0.03 0.12 0.11 0.00 0.12 0.00 0.00 56.93 57.31 3kas s PHE 98 Cb 0.11 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.96 3kas s PHE 98 CO 0.63 -0.25 -0.24 0.71 -0.10 0.00 0.00 175.22 175.97 3kas s TYR 99 N 2.13 2.25 -0.01 0.36 2.02 -0.76 -0.67 117.35 122.66 3kas s TYR 99 Ca 0.05 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.36 3kas s TYR 99 Cb -0.12 -1.14 0.00 0.00 -0.40 0.00 0.00 41.96 40.30 3kas s TYR 99 CO -0.04 0.44 0.03 0.71 -1.57 0.00 0.00 175.55 175.13 3kas s TYR 100 N -1.55 -0.03 -0.06 2.71 2.02 0.55 -0.21 117.35 120.78 3kas s TYR 100 Ca 0.18 0.08 0.05 0.00 -0.37 0.00 0.00 57.07 57.01 3kas s TYR 100 Cb -0.08 0.01 -0.02 0.00 -0.40 0.00 0.00 41.96 41.47 3kas s TYR 100 CO 0.09 -0.02 -0.20 1.41 -1.57 0.00 0.00 175.55 175.25 3kas s MET 101 N -0.01 2.58 -0.21 -0.62 -2.45 -0.49 -0.64 119.30 117.45 3kas s MET 101 Ca -0.00 -0.81 -0.04 0.00 -1.25 0.00 0.00 55.69 53.58 3kas s MET 101 Cb -0.00 -2.28 -0.02 0.00 1.25 0.00 0.00 34.83 33.78 3kas s MET 101 CO 0.00 0.47 -0.02 0.50 1.05 0.00 0.00 175.02 177.02 3kas s ARG 102 N -0.35 3.49 -0.28 4.11 3.52 0.16 -0.59 118.95 129.01 3kas s ARG 102 Ca 0.03 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 55.07 3kas s ARG 102 Cb -0.12 -3.04 0.08 0.00 -1.56 0.00 0.00 34.95 30.30 3kas s ARG 102 CO 0.02 -0.09 -0.02 0.20 -0.81 0.00 0.00 175.30 174.60 3kas s GLY 103 N 1.24 1.52 0.00 8.12 0.00 0.56 -0.63 107.32 118.13 3kas s GLY 103 Ca 0.03 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.95 3kas s GLY 103 CO -0.00 0.94 0.00 0.61 0.00 0.00 0.00 173.10 174.65 3kas n GLY 104 N 4.52 3.86 0.70 0.20 0.00 -1.26 -0.93 105.19 112.28 3kas n GLY 104 Ca -0.07 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3kas n GLY 104 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3kas n VAL 105 N 0.00 0.34 -4.35 1.61 3.14 -1.26 -4.88 118.33 112.92 3kas n VAL 105 Ca 0.00 -0.46 -0.32 0.00 -2.96 0.00 0.00 64.34 60.60 3kas n VAL 105 Cb 0.00 0.45 -0.10 0.00 -1.06 0.00 0.00 33.84 33.13 3kas n VAL 105 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 3kas s ASN 106 N -1.42 4.80 0.07 6.55 0.02 -0.11 -5.12 114.94 119.73 3kas s ASN 106 Ca 0.32 -0.13 0.08 0.00 -1.02 0.00 0.00 52.86 52.11 3kas s ASN 106 Cb 0.18 -1.15 -0.03 0.00 0.02 0.00 0.00 41.25 40.27 3kas s ASN 106 CO 0.25 0.26 -0.21 -0.89 0.02 0.00 0.00 177.10 176.53 3kas s THR 107 N -1.08 1.74 -0.03 1.60 2.01 -1.26 -0.33 115.64 118.30 3kas s THR 107 Ca 0.19 -1.37 0.03 0.00 0.31 0.00 0.00 61.69 60.85 3kas s THR 107 Cb -0.11 -1.54 -0.00 0.00 0.01 0.00 0.00 72.50 70.86 3kas s THR 107 CO 0.10 0.10 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.65 3kas s PHE 108 N -0.96 1.25 -0.03 4.92 0.08 0.24 -1.04 117.98 122.44 3kas s PHE 108 Ca 0.08 -0.31 -0.27 0.00 0.12 0.00 0.00 56.93 56.54 3kas s PHE 108 Cb -0.09 -0.85 -0.03 0.00 -0.57 0.00 0.00 43.02 41.47 3kas s PHE 108 CO 0.03 -0.10 0.85 -1.17 -0.10 0.00 0.00 175.22 174.72 3kas s LEU 109 N 0.04 4.34 -0.12 -0.37 2.96 0.11 -1.40 118.68 124.23 3kas s LEU 109 Ca -0.02 1.43 0.02 0.00 -0.22 0.00 0.00 54.13 55.35 3kas s LEU 109 Cb -0.09 -3.33 0.01 0.00 0.50 0.00 0.00 46.19 43.28 3kas s LEU 109 CO 0.01 -0.19 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.02 3kas s ILE 110 N 0.92 1.83 0.12 6.68 1.01 0.71 -0.93 121.20 131.54 3kas s ILE 110 Ca 0.45 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 60.30 3kas s ILE 110 Cb -0.19 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 3kas s ILE 110 CO 0.23 0.51 -0.11 -0.13 0.00 0.00 0.00 174.94 175.43 3kas s ARG 111 N 0.84 0.98 -0.11 2.79 0.52 -0.08 -1.83 118.95 122.06 3kas s ARG 111 Ca -0.08 -1.29 0.01 0.00 -0.52 0.00 0.00 55.73 53.85 3kas s ARG 111 Cb -0.15 -0.68 0.02 0.00 0.52 0.00 0.00 34.95 34.66 3kas s ARG 111 CO -0.01 0.11 -0.11 0.08 0.02 0.00 0.00 175.30 175.39 3kas s VAL 112 N -2.69 1.22 0.32 3.52 1.01 -1.26 -0.52 120.40 122.00 3kas s VAL 112 Ca 0.11 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 3kas s VAL 112 Cb -0.01 -1.17 0.05 0.00 0.00 0.00 0.00 36.38 35.25 3kas s VAL 112 CO 0.01 0.39 0.63 -1.54 0.00 0.00 0.00 175.10 174.59 3kas n SER 113 N 4.53 -1.83 -0.69 3.32 3.41 -0.69 -4.91 113.62 116.77 3kas n SER 113 Ca -0.17 -2.33 0.06 0.00 -0.26 0.00 0.00 58.87 56.17 3kas n SER 113 Cb 0.51 3.07 0.16 0.00 -0.26 0.00 0.00 64.21 67.68 3kas n SER 113 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3kas n ASP 114 N -1.46 2.00 -4.74 4.04 5.75 -1.26 0.65 116.55 121.53 3kas n ASP 114 Ca -0.07 -2.03 -0.35 0.00 -0.01 0.00 0.00 54.79 52.33 3kas n ASP 114 Cb 0.49 -0.26 -0.08 0.00 -1.03 0.00 0.00 41.12 40.24 3kas n ASP 114 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3kas s ILE 115 N -1.54 5.19 0.07 2.12 1.01 -1.26 -4.68 121.20 122.10 3kas s ILE 115 Ca 0.24 0.10 0.08 0.00 0.00 0.00 0.00 60.65 61.08 3kas s ILE 115 Cb 0.13 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 3kas s ILE 115 CO 0.16 0.50 -0.23 -0.94 0.00 0.00 0.00 174.94 174.44 3kas s SER 116 N -0.09 2.73 0.00 3.58 1.04 -1.26 -4.73 113.70 114.97 3kas s SER 116 Ca 0.09 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3kas s SER 116 Cb -0.12 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.79 3kas s SER 116 CO 0.00 0.16 0.17 1.33 0.98 0.00 0.00 173.24 175.88 3kas n VAL 117 N 1.55 0.00 -4.22 5.02 0.24 -1.26 -5.06 118.33 114.60 3kas n VAL 117 Ca -0.18 -0.29 -0.28 0.00 -2.04 0.00 0.00 64.34 61.55 3kas n VAL 117 Cb 0.53 1.24 -0.09 0.00 -1.47 0.00 0.00 33.84 34.05 3kas n VAL 117 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3kas s LEU 118 N -0.50 3.17 0.01 1.34 1.43 -1.26 -5.10 118.68 117.77 3kas s LEU 118 Ca 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3kas s LEU 118 Cb 0.00 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 3kas s LEU 118 CO 0.00 0.13 -0.02 -0.04 0.23 0.00 0.00 176.35 176.65 3kas s MET 119 N -2.64 0.16 0.29 1.70 -1.94 -1.26 -5.03 119.30 110.59 3kas s MET 119 Ca 0.25 -0.27 0.04 0.00 -1.71 0.00 0.00 55.69 54.00 3kas s MET 119 Cb -0.10 0.00 0.73 0.00 2.01 0.00 0.00 34.83 37.47 3kas s MET 119 CO 0.16 -0.01 1.73 0.87 -0.01 0.00 0.00 175.02 177.76 3kas h LYS 120 N 5.52 0.51 0.00 2.03 1.57 -1.97 -0.97 116.57 123.26 3kas h LYS 120 Ca -0.28 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 3kas h LYS 120 Cb 1.21 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 3kas h LYS 120 CO 0.47 0.34 -0.03 0.93 -0.57 0.00 0.00 179.45 180.59 3kas h GLU 121 N 0.53 0.00 0.00 3.15 3.07 -2.02 -3.30 114.58 116.01 3kas h GLU 121 Ca 0.56 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 3kas h GLU 121 Cb 1.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 3kas h GLU 121 CO -0.47 0.03 -0.29 0.66 -1.40 0.00 0.00 179.01 177.55 3kas n TYR 122 N -4.25 0.00 -4.40 4.33 4.01 -0.60 -5.08 117.16 111.17 3kas n TYR 122 Ca -0.03 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.45 3kas n TYR 122 Cb 0.11 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.10 3kas n TYR 122 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3kas n ASP 123 N -0.81 2.99 -4.69 7.72 8.00 -0.47 -4.95 116.55 124.33 3kas n ASP 123 Ca 0.00 -2.80 -0.40 0.00 0.71 0.00 0.00 54.79 52.30 3kas n ASP 123 Cb 0.00 0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.25 3kas n ASP 123 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kas s VAL 124 N -2.48 5.05 -0.16 2.53 1.01 -0.41 -4.82 120.40 121.13 3kas s VAL 124 Ca 0.08 1.29 -0.19 0.00 0.00 0.00 0.00 61.98 63.16 3kas s VAL 124 Cb -0.01 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3kas s VAL 124 CO 0.05 0.20 0.55 -0.44 0.00 0.00 0.00 175.10 175.46 3kas s SER 125 N 0.93 6.68 -0.54 3.32 0.01 -1.26 -1.13 113.70 121.70 3kas s SER 125 Ca 0.33 0.82 -0.16 0.00 1.31 0.00 0.00 55.95 58.24 3kas s SER 125 Cb -0.17 -2.32 0.12 0.00 0.21 0.00 0.00 66.02 63.87 3kas s SER 125 CO 0.14 -0.14 0.52 -0.63 0.41 0.00 0.00 173.24 173.53 3kas s ILE 126 N 1.29 5.17 -0.12 1.44 -1.09 -0.33 -4.88 121.20 122.68 3kas s ILE 126 Ca 0.27 -1.40 0.17 0.00 -2.23 0.00 0.00 60.65 57.46 3kas s ILE 126 Cb -0.16 -4.34 -0.16 0.00 -1.58 0.00 0.00 42.46 36.22 3kas s ILE 126 CO 0.11 -0.87 0.72 -1.22 -1.23 0.00 0.00 174.94 172.45 3kas n TYR 127 N 5.38 0.85 -4.08 3.97 4.01 -1.26 -3.86 117.16 122.16 3kas n TYR 127 Ca -0.13 0.28 -0.09 0.00 -0.16 0.00 0.00 57.90 57.80 3kas n TYR 127 Cb 0.41 -1.06 -0.10 0.00 -0.31 0.00 0.00 39.34 38.27 3kas n TYR 127 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 3kas s GLU 128 N -2.89 0.59 0.41 -0.72 -1.05 -1.26 -4.66 118.70 109.12 3kas s GLU 128 Ca -0.04 -1.05 0.12 0.00 -0.15 0.00 0.00 54.97 53.85 3kas s GLU 128 Cb 0.09 0.02 0.96 0.00 -0.44 0.00 0.00 34.13 34.77 3kas s GLU 128 CO 0.82 -0.05 1.96 -1.35 0.95 0.00 0.00 175.26 177.59 3kas h PRO 129 N 3.61 0.48 -0.30 -4.83 0.11 -1.97 -0.73 132.00 128.37 3kas h PRO 129 Ca -0.34 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.76 3kas h PRO 129 Cb 1.17 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3kas h PRO 129 CO 0.57 0.32 0.20 0.93 -0.21 0.00 0.00 178.00 179.81 3kas h GLU 130 N 0.49 0.32 -0.03 1.05 3.07 -2.00 -0.73 114.58 116.75 3kas h GLU 130 Ca 0.31 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.16 3kas h GLU 130 Cb 0.54 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3kas h GLU 130 CO -0.10 0.21 0.03 -0.44 -1.40 0.00 0.00 179.01 177.31 3kas h ASP 131 N 0.33 0.00 -0.07 1.42 3.32 -1.53 -2.10 116.42 117.78 3kas h ASP 131 Ca 0.12 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.19 3kas h ASP 131 Cb 0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3kas h ASP 131 CO -0.03 0.00 0.13 -0.07 -1.72 0.00 0.00 179.24 177.55 3kas h LEU 132 N 0.00 0.00 -1.62 1.55 3.38 -1.26 -2.46 115.31 114.90 3kas h LEU 132 Ca 0.01 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.20 3kas h LEU 132 Cb 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3kas h LEU 132 CO -0.00 0.00 0.60 1.23 0.09 0.00 0.00 178.44 180.36 3kas h GLY 133 N 0.00 0.68 -3.10 0.83 0.00 -1.56 -1.47 103.07 98.45 3kas h GLY 133 Ca 0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 3kas h GLY 133 CO -0.00 -0.01 0.11 1.16 0.00 0.00 0.00 176.54 177.81 3kas n ASN 134 N -4.46 4.43 -0.00 0.19 0.23 -0.93 -3.94 115.26 110.78 3kas n ASN 134 Ca 0.19 -2.84 0.04 0.00 -0.53 0.00 0.00 54.58 51.44 3kas n ASN 134 Cb 0.74 -0.67 -0.06 0.00 -2.08 0.00 0.00 39.78 37.71 3kas n ASN 134 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kas s LEU 136 N -3.16 2.23 0.25 0.00 1.43 -1.25 -4.52 118.68 113.66 3kas s LEU 136 Ca -0.01 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.41 3kas s LEU 136 Cb 0.06 -0.62 0.34 0.00 0.03 0.00 0.00 46.19 45.99 3kas s LEU 136 CO 0.36 -0.00 1.53 -3.20 0.23 0.00 0.00 176.35 175.27 3kas n ASN 137 N 1.55 -0.51 -4.21 2.29 2.85 -1.26 -3.71 115.26 112.26 3kas n ASN 137 Ca -0.19 1.70 -0.37 0.00 -0.11 0.00 0.00 54.58 55.61 3kas n ASN 137 Cb 0.54 -0.45 -0.13 0.00 1.24 0.00 0.00 39.78 40.99 3kas n ASN 137 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3kas s LYS 138 N -6.07 2.43 0.63 1.20 -0.14 -1.26 -4.98 119.74 111.55 3kas s LYS 138 Ca -0.14 -1.36 0.19 0.00 -1.36 0.00 0.00 55.97 53.31 3kas s LYS 138 Cb 0.23 -3.40 0.88 0.00 -1.68 0.00 0.00 37.83 33.85 3kas s LYS 138 CO 0.73 -0.75 1.44 1.03 -0.76 0.00 0.00 175.35 177.05 3kas h SER 139 N 8.12 0.00 1.19 2.83 0.87 -1.70 -0.44 113.55 124.42 3kas h SER 139 Ca -0.20 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 3kas h SER 139 Cb 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 3kas h SER 139 CO 0.61 0.00 -0.42 -2.24 -0.53 0.00 0.00 176.83 174.24 3kas h ASP 140 N 0.00 0.00 -0.20 6.23 2.03 -1.92 -3.07 116.42 119.49 3kas h ASP 140 Ca 0.18 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 3kas h ASP 140 Cb 1.83 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.33 3kas h ASP 140 CO -0.00 0.05 0.00 -1.54 -1.03 0.00 0.00 179.24 176.72 3kas n SER 141 N -2.34 1.36 0.31 4.15 3.41 -0.17 -3.34 113.62 117.00 3kas n SER 141 Ca 0.04 -1.83 0.20 0.00 -0.26 0.00 0.00 58.87 57.02 3kas n SER 141 Cb 0.46 -0.13 1.03 0.00 -0.26 0.00 0.00 64.21 65.31 3kas n SER 141 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3kas h SER 142 N 1.63 0.00 -0.31 4.04 0.02 -1.65 -2.98 113.55 114.30 3kas h SER 142 Ca 0.00 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 3kas h SER 142 Cb 0.37 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 3kas h SER 142 CO 0.00 0.02 -0.10 -0.25 -1.14 0.00 0.00 176.83 175.35 3kas h TRP 143 N 0.00 -0.23 -0.44 3.45 2.91 -1.80 0.18 115.95 120.02 3kas h TRP 143 Ca -0.00 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.02 3kas h TRP 143 Cb 0.13 0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 28.91 3kas h TRP 143 CO 0.00 -0.17 0.14 0.00 -1.03 0.00 0.00 178.44 177.39 3kas h ALA 144 N 1.25 1.43 -0.06 2.65 0.00 -1.82 0.20 119.26 122.91 3kas h ALA 144 Ca 0.15 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 3kas h ALA 144 Cb 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kas h ALA 144 CO -0.34 0.42 -0.81 0.82 0.00 0.00 0.00 179.25 179.34 3kas h ILE 145 N 0.62 1.37 0.28 0.00 1.08 -1.52 -0.80 117.51 118.54 3kas h ILE 145 Ca 0.15 -2.21 -0.00 0.00 -0.39 0.00 0.00 64.86 62.40 3kas h ILE 145 Cb 0.18 2.19 -0.01 0.00 -3.07 0.00 0.00 36.82 36.11 3kas h ILE 145 CO -0.01 0.67 -0.23 -0.74 -0.69 0.00 0.00 178.15 177.15 3kas h HIS 146 N 0.31 -0.60 -0.68 1.37 2.76 0.24 0.13 115.15 118.67 3kas h HIS 146 Ca -0.05 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.19 3kas h HIS 146 Cb 1.42 0.23 -0.06 0.00 1.55 0.00 0.00 27.41 30.54 3kas h HIS 146 CO 0.06 -0.34 0.36 2.35 -1.30 0.00 0.00 177.93 179.06 3kas h TRP 147 N -0.52 0.66 -0.22 5.26 7.01 -0.59 -2.36 115.95 125.19 3kas h TRP 147 Ca -0.02 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 3kas h TRP 147 Cb 0.46 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 3kas h TRP 147 CO -0.14 0.29 -0.02 0.35 -2.79 0.00 0.00 178.44 176.13 3kas h PHE 148 N 0.65 0.44 -0.55 2.65 3.57 -0.84 0.21 116.94 123.07 3kas h PHE 148 Ca 0.32 -0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.83 3kas h PHE 148 Cb 0.26 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 38.81 3kas h PHE 148 CO -0.09 0.60 0.14 0.77 -2.23 0.00 0.00 178.31 177.50 3kas h SER 149 N 0.15 0.06 -0.21 0.41 0.02 -0.54 0.13 113.55 113.57 3kas h SER 149 Ca 0.06 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 3kas h SER 149 Cb 0.43 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3kas h SER 149 CO 0.01 0.05 -0.08 0.78 -1.14 0.00 0.00 176.83 176.45 3kas h ASN 150 N 0.28 0.44 -0.50 3.07 4.21 -1.23 -0.45 115.58 121.40 3kas h ASN 150 Ca 0.28 -0.39 0.15 0.00 1.21 0.00 0.00 56.30 57.54 3kas h ASN 150 Cb 0.37 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.43 3kas h ASN 150 CO -0.34 0.74 0.40 0.00 -1.29 0.00 0.00 177.43 176.93 3kas h ALA 151 N 0.72 2.39 0.00 -0.83 0.00 -0.12 0.12 119.26 121.53 3kas h ALA 151 Ca 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3kas h ALA 151 Cb 0.56 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3kas h ALA 151 CO 0.03 -0.65 -0.32 1.25 0.00 0.00 0.00 179.25 179.56 3kas h LEU 152 N 0.00 0.00 0.00 0.00 5.85 -0.48 -3.47 115.31 117.21 3kas h LEU 152 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3kas h LEU 152 Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3kas h LEU 152 CO -0.00 0.27 0.00 0.61 -0.34 0.00 0.00 178.44 178.97 3kas n GLY 153 N 1.17 0.81 3.71 3.75 0.00 0.40 -3.87 105.19 111.17 3kas n GLY 153 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3kas n GLY 153 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kas s HIS 154 N -2.00 2.91 -0.37 1.61 5.04 -0.22 -4.97 115.29 117.29 3kas s HIS 154 Ca 0.00 0.52 -0.12 0.00 -1.54 0.00 0.00 55.06 53.93 3kas s HIS 154 Cb 0.00 -3.97 0.02 0.00 0.04 0.00 0.00 32.58 28.67 3kas s HIS 154 CO 0.00 -3.64 0.22 0.34 -2.34 0.00 0.00 174.74 169.31 3kas s ASP 155 N 1.41 5.79 0.17 9.88 -1.08 -1.26 -4.46 116.67 127.11 3kas s ASP 155 Ca 0.72 -0.84 -0.15 0.00 -0.52 0.00 0.00 52.55 51.76 3kas s ASP 155 Cb -0.44 -2.05 0.05 0.00 -1.46 0.00 0.00 42.92 39.02 3kas s ASP 155 CO 0.32 -0.35 1.83 -0.50 0.52 0.00 0.00 175.17 176.99 3kas h TRP 156 N 8.46 0.59 0.00 -5.34 4.06 -1.91 -0.29 115.95 121.52 3kas h TRP 156 Ca -0.28 0.01 -0.13 0.00 2.06 0.00 0.00 58.89 60.56 3kas h TRP 156 Cb 1.12 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 29.06 3kas h TRP 156 CO 0.59 0.37 -0.61 1.25 -3.56 0.00 0.00 178.44 176.48 3kas h LEU 157 N 0.63 0.00 0.00 -4.49 5.85 -1.94 -3.36 115.31 112.00 3kas h LEU 157 Ca 0.18 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.64 3kas h LEU 157 Cb -0.06 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3kas h LEU 157 CO -0.05 0.61 -2.07 0.23 -0.34 0.00 0.00 178.44 176.82 3kas n MET 158 N -3.63 1.28 -3.27 1.25 2.81 -1.06 -5.04 117.12 109.46 3kas n MET 158 Ca -0.01 -0.02 -0.21 0.00 -1.81 0.00 0.00 57.70 55.65 3kas n MET 158 Cb 0.64 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 3kas n MET 158 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3kas s ASP 159 N -4.87 5.94 0.21 7.83 -0.00 -0.14 -5.04 116.67 120.61 3kas s ASP 159 Ca -0.08 0.08 -0.32 0.00 -0.00 0.00 0.00 52.55 52.23 3kas s ASP 159 Cb 0.05 -1.45 -0.13 0.00 -0.00 0.00 0.00 42.92 41.40 3kas s ASP 159 CO 0.66 -0.53 1.62 -2.65 -0.00 0.00 0.00 175.17 174.27 3kas n PRO 160 N -1.84 2.47 -1.92 8.23 -0.02 -1.26 -4.92 135.00 135.75 3kas n PRO 160 Ca -0.00 0.89 -0.41 0.00 -2.02 0.00 0.00 63.50 61.96 3kas n PRO 160 Cb 0.58 -2.68 -0.01 0.00 -0.02 0.00 0.00 33.50 31.37 3kas n PRO 160 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kas s PRO 161 N 0.64 4.20 0.66 0.52 0.02 -1.26 -4.99 135.00 134.79 3kas s PRO 161 Ca 0.74 2.43 -0.11 0.00 0.02 0.00 0.00 61.00 64.08 3kas s PRO 161 Cb -0.58 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 30.90 3kas s PRO 161 CO 0.39 -0.44 1.05 0.00 -0.33 0.00 0.00 177.00 177.66 3kas s MET 162 N -1.40 3.23 0.25 5.54 0.23 -1.25 -4.75 119.30 121.15 3kas s MET 162 Ca 0.55 0.87 0.07 0.00 -1.03 0.00 0.00 55.69 56.15 3kas s MET 162 Cb -0.44 -2.03 -0.04 0.00 -1.53 0.00 0.00 34.83 30.79 3kas s MET 162 CO 0.54 -0.86 0.22 -0.51 -2.03 0.00 0.00 175.02 172.38 3kas s LEU 163 N -5.36 3.89 0.03 0.18 1.43 -0.79 -1.19 118.68 116.87 3kas s LEU 163 Ca 0.57 -0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 53.25 3kas s LEU 163 Cb -0.13 -2.42 0.05 0.00 0.03 0.00 0.00 46.19 43.72 3kas s LEU 163 CO 0.54 -0.04 0.50 0.00 0.23 0.00 0.00 176.35 177.58 3kas s ARG 165 N -2.28 4.46 -0.02 0.00 3.52 -0.28 -1.28 118.95 123.06 3kas s ARG 165 Ca -0.06 1.20 -0.39 0.00 -0.13 0.00 0.00 55.73 56.35 3kas s ARG 165 Cb -0.01 -3.49 -0.18 0.00 -1.56 0.00 0.00 34.95 29.71 3kas s ARG 165 CO -0.01 -0.11 1.26 -1.71 -0.81 0.00 0.00 175.30 173.93 3kas n ASN 166 N 4.28 0.91 0.18 -2.12 2.85 -1.26 -4.55 115.26 115.56 3kas n ASN 166 Ca 0.04 1.14 0.18 0.00 -0.11 0.00 0.00 54.58 55.84 3kas n ASN 166 Cb 0.50 -1.04 0.80 0.00 1.24 0.00 0.00 39.78 41.28 3kas n ASN 166 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 3kas h LYS 167 N 4.06 0.00 0.00 1.20 3.64 -1.44 -2.09 116.57 121.94 3kas h LYS 167 Ca -0.49 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.79 3kas h LYS 167 Cb 1.38 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 3kas h LYS 167 CO 0.75 0.00 -0.48 1.79 -2.27 0.00 0.00 179.45 179.24 3kas h THR 168 N 0.00 0.84 -4.22 1.00 1.35 -1.86 -3.46 112.91 106.55 3kas h THR 168 Ca 0.12 -2.13 -0.51 0.00 -0.55 0.00 0.00 66.41 63.34 3kas h THR 168 Cb 0.79 2.37 0.12 0.00 -1.73 0.00 0.00 68.15 69.70 3kas h THR 168 CO -0.00 0.47 0.36 -0.54 -0.25 0.00 0.00 175.52 175.56 3kas s LYS 169 N -3.02 2.51 0.00 4.72 1.02 -0.79 -4.93 119.74 119.26 3kas s LYS 169 Ca 0.04 1.41 0.14 0.00 0.02 0.00 0.00 55.97 57.58 3kas s LYS 169 Cb 0.08 -1.91 0.48 0.00 -0.52 0.00 0.00 37.83 35.95 3kas s LYS 169 CO 0.74 -1.48 1.36 0.36 -0.92 0.00 0.00 175.35 175.41 3kas n LYS 170 N -2.76 1.70 -0.06 1.68 2.85 -1.26 -4.51 118.16 115.80 3kas n LYS 170 Ca 0.11 -1.08 -0.15 0.00 -1.05 0.00 0.00 58.31 56.13 3kas n LYS 170 Cb 0.52 -1.30 -0.06 0.00 -0.65 0.00 0.00 35.03 33.54 3kas n LYS 170 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3kas h GLU 171 N 1.91 0.70 0.00 -1.58 3.07 -1.93 -3.44 114.58 113.31 3kas h GLU 171 Ca 0.00 -0.46 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 3kas h GLU 171 Cb 0.43 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3kas h GLU 171 CO 0.00 1.08 0.00 0.41 -1.40 0.00 0.00 179.01 179.10 3kas n GLY 172 N 0.44 0.03 3.76 -3.84 0.00 -1.26 -0.09 105.19 104.23 3kas n GLY 172 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3kas n GLY 172 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kas s SER 173 N -1.87 6.52 -0.30 1.61 1.04 -1.26 -4.70 113.70 114.74 3kas s SER 173 Ca 0.00 2.87 -0.07 0.00 0.48 0.00 0.00 55.95 59.22 3kas s SER 173 Cb 0.00 -2.65 0.19 0.00 0.10 0.00 0.00 66.02 63.66 3kas s SER 173 CO 0.00 -0.76 0.89 0.21 0.98 0.00 0.00 173.24 174.56 3kas s ASN 174 N -0.02 -0.80 -0.16 7.02 2.47 -1.25 -4.44 114.94 117.76 3kas s ASN 174 Ca 0.55 0.30 -0.07 0.00 0.42 0.00 0.00 52.86 54.05 3kas s ASN 174 Cb -0.44 1.59 -0.04 0.00 -1.45 0.00 0.00 41.25 40.91 3kas s ASN 174 CO 0.54 -0.15 0.09 -0.63 -3.72 0.00 0.00 177.10 173.23 3kas s ILE 175 N 2.92 5.03 -0.12 -5.21 1.09 -0.59 -1.13 121.20 123.19 3kas s ILE 175 Ca 0.13 0.04 -0.01 0.00 -1.10 0.00 0.00 60.65 59.72 3kas s ILE 175 Cb -0.08 -3.23 0.03 0.00 -1.06 0.00 0.00 42.46 38.11 3kas s ILE 175 CO -0.19 0.52 -0.06 -1.58 -0.10 0.00 0.00 174.94 173.53 3kas s GLN 176 N -0.15 1.35 -0.17 2.79 0.74 0.79 -0.88 119.66 124.13 3kas s GLN 176 Ca 0.08 -0.27 -0.08 0.00 0.05 0.00 0.00 55.36 55.15 3kas s GLN 176 Cb -0.12 -1.62 -0.04 0.00 1.10 0.00 0.00 33.01 32.33 3kas s GLN 176 CO 0.01 -0.32 0.10 -0.06 -0.55 0.00 0.00 175.29 174.47 3kas s PHE 177 N 1.73 3.38 -0.59 1.67 0.08 0.12 -1.89 117.98 122.48 3kas s PHE 177 Ca 0.04 0.28 -0.20 0.00 0.12 0.00 0.00 56.93 57.17 3kas s PHE 177 Cb -0.13 -2.05 0.09 0.00 -0.57 0.00 0.00 43.02 40.35 3kas s PHE 177 CO -0.08 0.36 0.75 1.21 -0.10 0.00 0.00 175.22 177.37 3kas s ASN 178 N -0.06 6.19 -0.27 1.36 3.84 -1.26 -1.04 114.94 123.70 3kas s ASN 178 Ca 0.08 -1.21 0.10 0.00 0.21 0.00 0.00 52.86 52.04 3kas s ASN 178 Cb -0.12 -2.33 0.52 0.00 -0.55 0.00 0.00 41.25 38.77 3kas s ASN 178 CO 0.00 -1.15 1.47 2.30 -2.79 0.00 0.00 177.10 176.94 3kas n ILE 179 N 5.66 2.52 -1.64 -5.21 -5.35 -0.74 -4.64 119.36 109.95 3kas n ILE 179 Ca -0.07 -2.53 -0.47 0.00 -0.27 0.00 0.00 62.75 59.41 3kas n ILE 179 Cb 0.44 -0.31 -0.04 0.00 -1.74 0.00 0.00 39.64 37.99 3kas n ILE 179 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3kas n SER 180 N -1.01 2.46 -1.94 7.28 7.64 -0.89 -4.47 113.62 122.68 3kas n SER 180 Ca 0.32 1.12 -0.03 0.00 1.01 0.00 0.00 58.87 61.29 3kas n SER 180 Cb 1.03 -1.36 -0.04 0.00 -1.01 0.00 0.00 64.21 62.83 3kas n SER 180 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3kas n LYS 181 N 2.43 0.82 -4.52 1.43 5.02 -1.25 -3.42 118.16 118.68 3kas n LYS 181 Ca 0.15 -0.25 -0.25 0.00 -2.02 0.00 0.00 58.31 55.93 3kas n LYS 181 Cb 0.28 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 3kas n LYS 181 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kas s ALA 182 N 1.33 2.89 0.15 7.82 0.00 -1.26 -2.63 121.76 130.05 3kas s ALA 182 Ca 0.17 -2.02 -0.22 0.00 0.00 0.00 0.00 51.96 49.90 3kas s ALA 182 Cb 0.08 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.10 3kas s ALA 182 CO 0.00 0.15 1.65 -0.44 0.00 0.00 0.00 175.76 177.12 3kas h ASP 183 N 2.11 -0.62 -0.01 0.00 3.32 -1.96 0.18 116.42 119.43 3kas h ASP 183 Ca -0.41 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 3kas h ASP 183 Cb 1.25 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 41.10 3kas h ASP 183 CO 0.67 -0.24 -0.05 -0.78 -1.72 0.00 0.00 179.24 177.12 3kas h ASP 184 N -0.20 0.16 0.00 6.45 1.82 -1.97 -3.10 116.42 119.58 3kas h ASP 184 Ca 0.13 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 3kas h ASP 184 Cb 0.40 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.37 3kas h ASP 184 CO -0.34 0.25 -0.05 0.00 -1.61 0.00 0.00 179.24 177.49 3kas n ALA 185 N -2.50 2.21 0.09 -0.78 0.00 -0.71 -4.83 120.51 113.98 3kas n ALA 185 Ca -0.01 -2.35 -0.13 0.00 0.00 0.00 0.00 53.44 50.95 3kas n ALA 185 Cb 0.19 -0.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.20 3kas n ALA 185 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3kas h ARG 186 N 0.00 -0.21 -0.44 0.00 2.43 -0.59 -1.10 114.38 114.47 3kas h ARG 186 Ca 0.00 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 3kas h ARG 186 Cb 1.00 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 3kas h ARG 186 CO 0.00 0.09 -0.30 -0.24 -1.51 0.00 0.00 179.97 178.01 3kas h VAL 187 N -0.52 1.27 -0.46 0.20 3.04 -1.85 -1.61 116.25 116.32 3kas h VAL 187 Ca -0.02 -1.47 -0.00 0.00 -1.01 0.00 0.00 66.70 64.20 3kas h VAL 187 Cb 0.40 1.25 -0.02 0.00 -2.01 0.00 0.00 31.29 30.90 3kas h VAL 187 CO 0.04 0.50 0.28 0.22 -1.01 0.00 0.00 177.57 177.60 3kas h TYR 188 N 0.81 0.59 -0.69 3.17 3.20 -1.90 -2.63 116.97 119.52 3kas h TYR 188 Ca 0.09 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3kas h TYR 188 Cb 0.89 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 3kas h TYR 188 CO 0.06 0.40 0.40 0.78 -1.64 0.00 0.00 178.16 178.15 3kas h GLY 189 N 0.61 1.02 -0.09 1.82 0.00 -0.96 -0.98 103.07 104.49 3kas h GLY 189 Ca 0.16 -0.45 0.19 0.00 0.00 0.00 0.00 47.33 47.23 3kas h GLY 189 CO -0.03 0.43 0.33 0.50 0.00 0.00 0.00 176.54 177.77 3kas h LYS 190 N 0.95 0.38 -0.07 4.80 1.79 -1.08 -1.33 116.57 122.01 3kas h LYS 190 Ca 0.25 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.65 3kas h LYS 190 Cb 0.01 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 3kas h LYS 190 CO -0.04 0.25 -0.12 -0.22 -1.08 0.00 0.00 179.45 178.24 3kas h LYS 191 N 0.39 0.20 -0.44 3.15 3.64 -0.86 -1.05 116.57 121.60 3kas h LYS 191 Ca 0.49 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 3kas h LYS 191 Cb 0.87 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 3kas h LYS 191 CO -0.50 0.70 0.17 0.82 -2.27 0.00 0.00 179.45 178.37 3kas h ILE 192 N -0.27 1.21 -0.63 2.00 1.08 -1.00 0.15 117.51 120.04 3kas h ILE 192 Ca 0.00 -0.66 -0.02 0.00 -0.39 0.00 0.00 64.86 63.80 3kas h ILE 192 Cb 0.69 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 35.22 3kas h ILE 192 CO 0.03 0.24 0.32 0.03 -0.69 0.00 0.00 178.15 178.08 3kas h ARG 193 N 0.57 0.88 -0.62 2.37 3.08 -1.23 0.19 114.38 119.62 3kas h ARG 193 Ca 0.15 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.13 3kas h ARG 193 Cb 0.21 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 3kas h ARG 193 CO -0.01 0.67 0.37 -0.97 -1.07 0.00 0.00 179.97 178.96 3kas h ASN 194 N 0.89 0.60 -0.22 7.04 -0.73 -0.28 -0.26 115.58 122.62 3kas h ASN 194 Ca 0.22 0.01 0.03 0.00 1.87 0.00 0.00 56.30 58.43 3kas h ASN 194 Cb 0.06 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 38.50 3kas h ASN 194 CO -0.03 0.42 0.01 1.23 -0.37 0.00 0.00 177.43 178.69 3kas h GLY 195 N 0.73 0.22 0.88 1.57 0.00 0.11 -2.08 103.07 104.50 3kas h GLY 195 Ca 0.25 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.66 3kas h GLY 195 CO -0.11 -0.03 0.56 -0.33 0.00 0.00 0.00 176.54 176.63 3kas h MET 196 N 0.09 0.92 -0.39 4.80 2.86 -0.13 -0.34 114.93 122.75 3kas h MET 196 Ca 0.10 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.63 3kas h MET 196 Cb 0.12 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3kas h MET 196 CO -0.16 0.61 0.01 0.00 1.06 0.00 0.00 176.91 178.43 3kas h ARG 197 N 0.95 0.61 -0.08 1.72 3.08 -0.60 0.16 114.38 120.22 3kas h ARG 197 Ca 0.37 -0.14 -0.16 0.00 0.07 0.00 0.00 59.98 60.12 3kas h ARG 197 Cb 0.24 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3kas h ARG 197 CO -0.14 0.62 -0.66 0.45 -1.07 0.00 0.00 179.97 179.17 3kas h HIS 198 N 0.58 0.42 0.15 3.04 3.86 -0.45 -3.33 115.15 119.42 3kas h HIS 198 Ca 0.12 -0.18 -0.35 0.00 -1.16 0.00 0.00 60.37 58.81 3kas h HIS 198 Cb 0.36 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 3kas h HIS 198 CO 0.01 0.89 -1.81 -0.07 0.86 0.00 0.00 177.93 177.82 3kas h LEU 199 N 0.23 0.51 -7.54 2.43 4.07 -0.90 -3.42 115.31 110.69 3kas h LEU 199 Ca -0.02 -0.86 -0.64 0.00 0.08 0.00 0.00 57.88 56.44 3kas h LEU 199 Cb 1.21 -0.16 -0.40 0.00 1.08 0.00 0.00 40.66 42.38 3kas h LEU 199 CO 0.11 1.75 -0.71 -0.36 -1.08 0.00 0.00 178.44 178.14 3kas s PHE 200 N -2.58 3.30 0.20 1.13 0.08 0.52 -4.96 117.98 115.67 3kas s PHE 200 Ca -0.17 -2.81 -0.33 0.00 0.12 0.00 0.00 56.93 53.75 3kas s PHE 200 Cb 0.06 -2.69 -0.13 0.00 -0.57 0.00 0.00 43.02 39.70 3kas s PHE 200 CO 0.83 -0.90 1.66 0.54 -0.10 0.00 0.00 175.22 177.24 3kas n ARG 201 N 4.17 2.55 -0.42 0.44 1.74 -1.25 -1.27 116.66 122.61 3kas n ARG 201 Ca 0.03 0.92 0.00 0.00 -0.77 0.00 0.00 57.85 58.03 3kas n ARG 201 Cb 0.40 -2.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.11 3kas n ARG 201 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kas n GLY 202 N 3.65 0.75 3.58 -0.13 0.00 -1.26 -5.02 105.19 106.75 3kas n GLY 202 Ca 0.16 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.65 3kas n GLY 202 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kas n PHE 203 N -2.19 1.45 -3.89 1.61 -0.00 -0.40 -4.96 117.46 109.09 3kas n PHE 203 Ca 0.00 0.67 -0.35 0.00 -0.00 0.00 0.00 57.45 57.76 3kas n PHE 203 Cb 0.00 -2.31 -0.10 0.00 -0.00 0.00 0.00 39.48 37.06 3kas n PHE 203 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 3kas s HIS 204 N 0.44 3.23 -0.47 -5.13 5.65 -1.26 -4.95 115.29 112.79 3kas s HIS 204 Ca 0.85 0.01 -0.25 0.00 0.25 0.00 0.00 55.06 55.91 3kas s HIS 204 Cb -0.97 -2.15 0.03 0.00 -1.18 0.00 0.00 32.58 28.30 3kas s HIS 204 CO 0.48 0.03 0.93 0.34 -0.65 0.00 0.00 174.74 175.87 3kas s ASP 205 N 0.77 6.48 0.00 9.88 2.15 -1.26 -4.89 116.67 129.80 3kas s ASP 205 Ca 0.04 0.06 0.25 0.00 0.43 0.00 0.00 52.55 53.34 3kas s ASP 205 Cb -0.13 -2.45 0.48 0.00 -0.30 0.00 0.00 42.92 40.52 3kas s ASP 205 CO 0.02 -1.08 1.39 -0.81 -0.17 0.00 0.00 175.17 174.52 3kas n PRO 206 N 7.23 0.57 -2.40 4.34 -0.05 -1.26 -4.96 135.00 138.46 3kas n PRO 206 Ca 0.06 -0.37 -0.41 0.00 -0.05 0.00 0.00 63.50 62.72 3kas n PRO 206 Cb 0.48 -1.49 -0.03 0.00 -0.05 0.00 0.00 33.50 32.41 3kas n PRO 206 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3kas s GLU 208 N -0.18 2.75 0.18 0.00 2.02 -1.26 -4.99 118.70 117.21 3kas s GLU 208 Ca 0.53 -0.58 -0.33 0.00 0.02 0.00 0.00 54.97 54.61 3kas s GLU 208 Cb -0.32 -2.62 -0.15 0.00 0.10 0.00 0.00 34.13 31.14 3kas s GLU 208 CO 0.36 0.65 1.37 0.39 0.02 0.00 0.00 175.26 178.04 3kas n GLU 209 N 1.88 1.66 0.00 1.61 -0.58 -1.26 -1.15 120.64 122.80 3kas n GLU 209 Ca -0.17 0.59 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 3kas n GLU 209 Cb 0.53 -2.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.17 3kas n GLU 209 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kas n GLY 210 N 2.46 2.66 3.93 0.62 0.00 -1.08 -4.97 105.19 108.81 3kas n GLY 210 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3kas n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kas s LYS 211 N 0.00 3.03 0.34 1.61 -0.14 -0.30 -4.86 119.74 119.42 3kas s LYS 211 Ca 0.00 -0.21 -0.11 0.00 -1.36 0.00 0.00 55.97 54.30 3kas s LYS 211 Cb 0.00 -2.41 -0.07 0.00 -1.68 0.00 0.00 37.83 33.67 3kas s LYS 211 CO 0.00 -0.47 0.70 0.54 -0.76 0.00 0.00 175.35 175.36 3kas s VAL 212 N -2.78 4.81 -0.18 3.17 0.11 -1.26 -3.88 120.40 120.39 3kas s VAL 212 Ca 0.51 0.61 -0.28 0.00 -2.93 0.00 0.00 61.98 59.89 3kas s VAL 212 Cb -0.10 -3.68 0.08 0.00 -1.53 0.00 0.00 36.38 31.14 3kas s VAL 212 CO 0.42 -0.34 0.73 0.00 -3.33 0.00 0.00 175.10 172.58 3kas s TYR 214 N -0.34 0.41 -0.15 0.00 1.51 0.21 -1.80 117.35 117.20 3kas s TYR 214 Ca -0.04 -0.64 -0.02 0.00 -1.01 0.00 0.00 57.07 55.35 3kas s TYR 214 Cb -0.03 -0.28 -0.02 0.00 -0.11 0.00 0.00 41.96 41.52 3kas s TYR 214 CO 0.04 -0.20 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.04 3kas s LEU 215 N -1.81 3.03 -0.04 -1.29 0.20 -0.21 -1.70 118.68 116.85 3kas s LEU 215 Ca -0.10 -0.22 0.03 0.00 0.69 0.00 0.00 54.13 54.54 3kas s LEU 215 Cb -0.06 -1.71 0.00 0.00 -0.43 0.00 0.00 46.19 43.99 3kas s LEU 215 CO -0.03 0.16 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.17 3kas s THR 216 N 0.39 1.16 -0.08 3.68 2.01 0.32 0.12 115.64 123.24 3kas s THR 216 Ca -0.07 -0.55 0.03 0.00 0.31 0.00 0.00 61.69 61.42 3kas s THR 216 Cb -0.15 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.35 3kas s THR 216 CO 0.04 0.35 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.52 3kas s ILE 217 N 0.25 1.51 -0.04 1.82 1.01 -0.06 -0.90 121.20 124.78 3kas s ILE 217 Ca -0.06 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 59.93 3kas s ILE 217 Cb -0.12 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 41.01 3kas s ILE 217 CO 0.02 0.44 -0.16 0.20 0.00 0.00 0.00 174.94 175.44 3kas s ASN 218 N 0.55 2.00 0.03 3.58 -0.87 -0.10 -1.54 114.94 118.60 3kas s ASN 218 Ca -0.16 -0.33 -0.30 0.00 -1.57 0.00 0.00 52.86 50.50 3kas s ASN 218 Cb -0.17 -0.55 -0.05 0.00 -0.02 0.00 0.00 41.25 40.46 3kas s ASN 218 CO 0.06 0.14 1.22 -1.58 -2.57 0.00 0.00 177.10 174.36 3kas s GLN 219 N 0.06 4.40 0.12 -0.60 0.74 -1.26 0.05 119.66 123.17 3kas s GLN 219 Ca -0.04 1.77 -0.34 0.00 0.05 0.00 0.00 55.36 56.81 3kas s GLN 219 Cb -0.11 -3.40 -0.13 0.00 1.10 0.00 0.00 33.01 30.46 3kas s GLN 219 CO 0.02 -0.32 1.64 0.00 -0.55 0.00 0.00 175.29 176.08 3kas n GLY 221 N 3.63 1.80 3.79 0.00 0.00 -1.26 -4.81 105.19 108.34 3kas n GLY 221 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3kas n GLY 221 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kas s ASP 222 N -0.54 5.95 0.35 1.61 1.01 -0.80 -4.93 116.67 119.32 3kas s ASP 222 Ca 0.00 1.95 0.09 0.00 0.71 0.00 0.00 52.55 55.30 3kas s ASP 222 Cb 0.00 -2.56 0.82 0.00 1.01 0.00 0.00 42.92 42.19 3kas s ASP 222 CO 0.00 -1.05 1.87 -0.65 0.21 0.00 0.00 175.17 175.54 3kas h PRO 223 N 1.03 0.67 0.00 8.23 0.11 -1.84 -1.10 132.00 139.11 3kas h PRO 223 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3kas h PRO 223 Cb 1.23 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kas h PRO 223 CO 0.58 0.45 0.00 -1.13 -0.21 0.00 0.00 178.00 177.68 3kas n SER 224 N -4.56 0.00 -0.69 -2.05 3.41 0.87 -0.30 113.62 110.30 3kas n SER 224 Ca 0.17 0.41 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 3kas n SER 224 Cb 0.47 -0.44 0.34 0.00 -0.26 0.00 0.00 64.21 64.31 3kas n SER 224 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kas n SER 225 N -1.44 2.16 0.00 4.04 3.41 -0.42 -4.95 113.62 116.43 3kas n SER 225 Ca 0.03 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 3kas n SER 225 Cb 0.10 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3kas n SER 225 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3kas n PHE 226 N 0.69 0.00 0.37 7.33 3.01 0.59 -1.64 117.46 127.82 3kas n PHE 226 Ca 0.17 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.75 3kas n PHE 226 Cb 0.46 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 40.13 3kas n PHE 226 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3kas n ASP 227 N 0.68 3.43 0.00 4.37 3.85 -1.26 -4.60 116.55 123.02 3kas n ASP 227 Ca 0.00 -1.99 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 3kas n ASP 227 Cb 0.00 -0.23 0.00 0.00 -1.35 0.00 0.00 41.12 39.54 3kas n ASP 227 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 3kas n TYR 228 N 1.49 0.00 -1.31 2.11 0.53 -0.65 -1.62 117.16 117.71 3kas n TYR 228 Ca 0.19 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 57.15 3kas n TYR 228 Cb 0.61 -0.22 0.12 0.00 -1.03 0.00 0.00 39.34 38.81 3kas n TYR 228 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kas n GLY 230 N -1.11 -0.21 0.17 0.00 0.00 -0.64 -4.54 105.19 98.85 3kas n GLY 230 Ca 0.13 -1.85 -0.05 0.00 0.00 0.00 0.00 46.02 44.26 3kas n GLY 230 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kas h VAL 231 N -0.86 0.77 0.00 1.61 2.07 -1.96 -0.96 116.25 116.92 3kas h VAL 231 Ca -0.15 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3kas h VAL 231 Cb 0.48 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3kas h VAL 231 CO 0.13 0.03 0.00 0.59 0.02 0.00 0.00 177.57 178.35 3kas n ASN 232 N -5.12 0.00 0.00 0.57 3.02 -1.26 -3.14 115.26 109.32 3kas n ASN 232 Ca 0.03 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 3kas n ASN 232 Cb 0.19 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 3kas n ASN 232 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3kas n HIS 233 N -1.15 0.00 -0.20 3.10 8.25 -0.76 -4.78 115.22 119.69 3kas n HIS 233 Ca 0.06 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.51 3kas n HIS 233 Cb 0.06 0.02 0.09 0.00 1.12 0.00 0.00 29.99 31.27 3kas n HIS 233 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3kas h LEU 234 N 0.00 0.34 -1.01 2.41 5.85 -1.38 -0.97 115.31 120.56 3kas h LEU 234 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3kas h LEU 234 Cb 0.00 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3kas h LEU 234 CO 0.00 0.22 0.00 0.28 -0.34 0.00 0.00 178.44 178.60 3kas h SER 235 N 0.50 0.00 1.20 1.25 0.02 -1.63 -1.76 113.55 113.13 3kas h SER 235 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3kas h SER 235 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3kas h SER 235 CO -0.24 0.00 -0.16 0.29 -1.14 0.00 0.00 176.83 175.59 3kas n LYS 236 N -2.49 0.20 -3.14 3.45 4.76 -0.38 -4.77 118.16 115.79 3kas n LYS 236 Ca 0.01 0.13 -0.41 0.00 -2.87 0.00 0.00 58.31 55.18 3kas n LYS 236 Cb 0.23 -1.70 -0.07 0.00 -1.84 0.00 0.00 35.03 31.65 3kas n LYS 236 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kas s GLN 238 N 2.51 3.22 0.48 0.00 0.74 -1.26 -5.02 119.66 120.33 3kas s GLN 238 Ca 0.24 -0.55 -0.22 0.00 0.05 0.00 0.00 55.36 54.88 3kas s GLN 238 Cb -0.15 -4.12 -0.07 0.00 1.10 0.00 0.00 33.01 29.76 3kas s GLN 238 CO 0.10 -1.58 1.18 -0.06 -0.55 0.00 0.00 175.29 174.38 3kas s PHE 239 N 3.85 2.81 0.11 1.67 0.40 -1.26 -4.91 117.98 120.65 3kas s PHE 239 Ca 0.26 1.52 0.02 0.00 -0.60 0.00 0.00 56.93 58.13 3kas s PHE 239 Cb -0.15 -3.41 -0.01 0.00 0.51 0.00 0.00 43.02 39.97 3kas s PHE 239 CO 0.15 -1.63 0.06 -0.25 0.70 0.00 0.00 175.22 174.25 3kas n ASP 240 N -0.61 0.55 0.00 1.36 8.00 -1.17 -5.04 116.55 119.64 3kas n ASP 240 Ca 0.08 -1.65 0.00 0.00 0.71 0.00 0.00 54.79 53.93 3kas n ASP 240 Cb 0.48 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 3kas n ASP 240 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22