#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ktm n LEU 29 N 0.00 3.17 -3.51 2.23 7.99 -0.14 -4.92 117.00 121.83 3ktm n LEU 29 Ca 0.00 -1.59 -0.09 0.00 -0.01 0.00 0.00 56.01 54.32 3ktm n LEU 29 Cb 0.00 -0.41 -0.02 0.00 -0.11 0.00 0.00 43.42 42.88 3ktm n LEU 29 CO 0.00 0.70 0.68 0.00 -1.51 0.00 0.00 177.39 177.26 3ktm s ALA 30 N -1.43 -1.82 0.05 -1.18 0.00 -1.21 -4.78 121.76 111.39 3ktm s ALA 30 Ca 0.37 1.05 -0.26 0.00 0.00 0.00 0.00 51.96 53.13 3ktm s ALA 30 Cb 0.21 0.33 -0.06 0.00 0.00 0.00 0.00 23.12 23.60 3ktm s ALA 30 CO 0.23 -0.65 0.79 -2.00 0.00 0.00 0.00 175.76 174.13 3ktm s GLU 31 N -2.93 4.52 0.19 0.00 2.12 -1.26 -4.76 118.70 116.57 3ktm s GLU 31 Ca 0.04 1.12 -0.31 0.00 0.36 0.00 0.00 54.97 56.18 3ktm s GLU 31 Cb -0.01 -3.36 -0.09 0.00 0.26 0.00 0.00 34.13 30.93 3ktm s GLU 31 CO -0.08 0.28 1.40 -1.25 -0.54 0.00 0.00 175.26 175.07 3ktm s PRO 32 N -0.06 4.31 0.16 4.30 0.04 -1.26 -4.82 135.00 137.67 3ktm s PRO 32 Ca 0.40 2.17 -0.21 0.00 0.04 0.00 0.00 61.00 63.40 3ktm s PRO 32 Cb -0.21 -3.18 0.06 0.00 0.04 0.00 0.00 34.50 31.21 3ktm s PRO 32 CO 0.24 -0.40 0.55 1.14 0.04 0.00 0.00 177.00 178.57 3ktm s GLN 33 N 0.30 1.26 -0.04 4.56 -2.07 -1.26 -1.18 119.66 121.23 3ktm s GLN 33 Ca 0.61 -0.58 0.06 0.00 -1.82 0.00 0.00 55.36 53.63 3ktm s GLN 33 Cb -0.39 0.56 -0.02 0.00 -1.09 0.00 0.00 33.01 32.06 3ktm s GLN 33 CO 0.37 -0.54 -0.20 0.42 -1.32 0.00 0.00 175.29 174.01 3ktm s ILE 34 N -3.78 2.52 -0.02 3.63 1.09 -0.16 -0.56 121.20 123.92 3ktm s ILE 34 Ca 0.03 -0.93 0.04 0.00 -1.10 0.00 0.00 60.65 58.69 3ktm s ILE 34 Cb -0.01 -1.94 -0.01 0.00 -1.06 0.00 0.00 42.46 39.45 3ktm s ILE 34 CO -0.11 0.58 -0.15 0.00 -0.10 0.00 0.00 174.94 175.17 3ktm s ALA 35 N -0.59 1.24 0.10 9.38 0.00 -0.22 0.17 121.76 131.84 3ktm s ALA 35 Ca 0.09 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.48 3ktm s ALA 35 Cb -0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 3ktm s ALA 35 CO 0.00 0.28 -0.12 -1.64 0.00 0.00 0.00 175.76 174.28 3ktm s MET 36 N -0.21 0.88 -0.34 0.00 -1.94 -1.26 -0.74 119.30 115.69 3ktm s MET 36 Ca 0.03 -1.14 0.04 0.00 -1.71 0.00 0.00 55.69 52.91 3ktm s MET 36 Cb -0.07 -0.67 0.17 0.00 2.01 0.00 0.00 34.83 36.27 3ktm s MET 36 CO 0.00 0.12 0.47 0.12 -0.01 0.00 0.00 175.02 175.72 3ktm s PHE 37 N -2.16 -1.10 -0.02 -0.03 2.19 -1.26 -4.89 117.98 110.71 3ktm s PHE 37 Ca 0.05 0.11 -0.40 0.00 0.33 0.00 0.00 56.93 57.02 3ktm s PHE 37 Cb -0.05 -0.06 -0.20 0.00 -1.31 0.00 0.00 43.02 41.41 3ktm s PHE 37 CO 0.01 -1.04 1.12 0.00 1.83 0.00 0.00 175.22 177.14 3ktm n GLY 39 N 1.71 2.73 3.57 0.00 0.00 -1.26 -5.03 105.19 106.90 3ktm n GLY 39 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 3ktm n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ktm s ARG 40 N -0.45 1.87 0.24 1.61 1.81 -0.03 -4.66 118.95 119.34 3ktm s ARG 40 Ca 0.00 -2.01 -0.30 0.00 -1.72 0.00 0.00 55.73 51.70 3ktm s ARG 40 Cb 0.00 -1.62 -0.09 0.00 -0.45 0.00 0.00 34.95 32.79 3ktm s ARG 40 CO 0.00 0.03 0.94 -0.51 -0.68 0.00 0.00 175.30 175.08 3ktm s LEU 41 N -3.65 4.64 0.45 2.53 1.43 -0.08 -4.02 118.68 119.98 3ktm s LEU 41 Ca 0.34 1.95 -0.24 0.00 -1.03 0.00 0.00 54.13 55.15 3ktm s LEU 41 Cb 0.06 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.57 3ktm s LEU 41 CO 0.17 0.15 1.08 0.59 0.23 0.00 0.00 176.35 178.58 3ktm n ASN 42 N 1.46 1.59 -4.75 2.29 3.02 -0.41 -4.64 115.26 113.81 3ktm n ASN 42 Ca -0.02 1.02 -0.23 0.00 -0.03 0.00 0.00 54.58 55.32 3ktm n ASN 42 Cb 0.47 -1.40 -0.06 0.00 -0.61 0.00 0.00 39.78 38.18 3ktm n ASN 42 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3ktm s MET 43 N -2.19 2.69 -0.10 3.52 -1.94 0.08 -0.26 119.30 121.10 3ktm s MET 43 Ca 0.64 -1.13 -0.18 0.00 -1.71 0.00 0.00 55.69 53.31 3ktm s MET 43 Cb -0.52 -2.44 0.04 0.00 2.01 0.00 0.00 34.83 33.92 3ktm s MET 43 CO 0.56 0.41 0.44 -3.38 -0.01 0.00 0.00 175.02 173.04 3ktm s HIS 44 N -2.08 -0.41 0.06 -0.03 -3.43 -0.57 -1.05 115.29 107.77 3ktm s HIS 44 Ca 0.31 0.87 -0.31 0.00 -0.80 0.00 0.00 55.06 55.14 3ktm s HIS 44 Cb -0.08 0.18 -0.07 0.00 -1.43 0.00 0.00 32.58 31.19 3ktm s HIS 44 CO 0.23 -0.35 1.39 1.41 -2.00 0.00 0.00 174.74 175.41 3ktm s MET 45 N -0.55 4.31 -0.39 -0.38 1.75 0.27 -1.73 119.30 122.58 3ktm s MET 45 Ca -0.07 2.01 -0.29 0.00 -1.25 0.00 0.00 55.69 56.09 3ktm s MET 45 Cb -0.03 -3.42 0.02 0.00 2.84 0.00 0.00 34.83 34.24 3ktm s MET 45 CO 0.03 -0.50 1.15 1.21 -0.65 0.00 0.00 175.02 176.27 3ktm s ASN 46 N 1.51 6.73 0.53 1.11 3.84 0.37 -4.53 114.94 124.51 3ktm s ASN 46 Ca 0.64 0.79 0.35 0.00 0.21 0.00 0.00 52.86 54.86 3ktm s ASN 46 Cb -0.34 -2.55 1.71 0.00 -0.55 0.00 0.00 41.25 39.53 3ktm s ASN 46 CO 0.28 -1.11 2.06 0.58 -2.79 0.00 0.00 177.10 176.13 3ktm h VAL 47 N 6.03 0.00 0.00 -5.21 2.07 -1.87 -1.55 116.25 115.72 3ktm h VAL 47 Ca -0.23 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 3ktm h VAL 47 Cb 1.07 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3ktm h VAL 47 CO 1.08 0.00 -0.50 1.56 0.02 0.00 0.00 177.57 179.73 3ktm h GLN 48 N 0.00 0.00 0.12 1.57 7.50 -1.91 -0.34 115.11 122.04 3ktm h GLN 48 Ca 0.00 0.00 -0.36 0.00 0.50 0.00 0.00 58.65 58.79 3ktm h GLN 48 Cb 0.22 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.73 3ktm h GLN 48 CO 0.00 0.50 -2.00 0.27 -1.50 0.00 0.00 178.83 176.10 3ktm n ASN 49 N -4.60 2.06 0.00 1.46 0.23 -1.23 -4.51 115.26 108.67 3ktm n ASN 49 Ca -0.13 0.21 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 3ktm n ASN 49 Cb 0.37 -0.81 0.00 0.00 -2.08 0.00 0.00 39.78 37.26 3ktm n ASN 49 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ktm n GLY 50 N 1.99 1.38 3.65 4.83 0.00 -0.58 -4.98 105.19 111.47 3ktm n GLY 50 Ca -0.32 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 3ktm n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ktm s LYS 51 N -0.29 2.24 0.10 1.61 1.02 -1.25 -4.84 119.74 118.31 3ktm s LYS 51 Ca 0.00 -1.51 -0.25 0.00 0.02 0.00 0.00 55.97 54.23 3ktm s LYS 51 Cb 0.00 -2.10 -0.07 0.00 -0.52 0.00 0.00 37.83 35.14 3ktm s LYS 51 CO 0.00 0.29 0.76 -1.58 -0.92 0.00 0.00 175.35 173.90 3ktm s TRP 52 N -2.38 3.81 0.35 3.18 0.52 -1.26 -0.48 118.94 122.68 3ktm s TRP 52 Ca 0.33 1.53 0.09 0.00 0.02 0.00 0.00 56.10 58.07 3ktm s TRP 52 Cb -0.05 -2.78 -0.07 0.00 -1.15 0.00 0.00 33.47 29.43 3ktm s TRP 52 CO 0.20 0.40 -0.09 -0.51 0.02 0.00 0.00 176.95 176.97 3ktm s ASP 53 N -0.58 3.73 0.36 2.95 1.01 -0.71 -4.93 116.67 118.51 3ktm s ASP 53 Ca 0.37 -1.21 0.07 0.00 0.71 0.00 0.00 52.55 52.48 3ktm s ASP 53 Cb -0.22 -0.35 -0.00 0.00 1.01 0.00 0.00 42.92 43.36 3ktm s ASP 53 CO 0.24 -0.22 0.50 -0.55 0.21 0.00 0.00 175.17 175.35 3ktm s SER 54 N -3.61 5.89 -0.41 0.27 0.15 -1.26 -1.51 113.70 113.21 3ktm s SER 54 Ca 0.33 -0.22 -0.43 0.00 0.70 0.00 0.00 55.95 56.33 3ktm s SER 54 Cb 0.03 -1.12 -0.17 0.00 -1.71 0.00 0.00 66.02 63.05 3ktm s SER 54 CO 0.17 -0.52 1.83 -0.67 1.20 0.00 0.00 173.24 175.24 3ktm n ASP 55 N -1.71 1.63 -0.34 5.45 2.03 0.64 -4.82 116.55 119.42 3ktm n ASP 55 Ca 0.02 0.96 0.29 0.00 0.52 0.00 0.00 54.79 56.58 3ktm n ASP 55 Cb 0.58 -1.02 0.55 0.00 -0.72 0.00 0.00 41.12 40.52 3ktm n ASP 55 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3ktm h PRO 56 N 7.42 0.14 -0.02 -0.67 0.11 -1.94 0.36 132.00 137.39 3ktm h PRO 56 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3ktm h PRO 56 Cb 1.36 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3ktm h PRO 56 CO 1.00 0.09 -0.02 -1.13 -0.21 0.00 0.00 178.00 177.73 3ktm n SER 57 N -5.12 2.30 -1.77 -2.05 3.41 -1.26 -4.94 113.62 104.19 3ktm n SER 57 Ca 0.35 -1.76 -0.20 0.00 -0.26 0.00 0.00 58.87 57.01 3ktm n SER 57 Cb 1.18 0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 65.08 3ktm n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ktm n GLY 58 N 1.28 1.34 0.00 5.00 0.00 0.12 -4.82 105.19 108.12 3ktm n GLY 58 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3ktm n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ktm n THR 59 N -2.69 0.00 -2.74 2.61 -2.24 -1.26 -4.62 114.28 103.34 3ktm n THR 59 Ca -0.21 -0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 3ktm n THR 59 Cb 0.66 0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 69.26 3ktm n THR 59 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3ktm s LYS 60 N -1.56 4.27 0.59 -0.78 -0.14 -1.26 -5.00 119.74 115.86 3ktm s LYS 60 Ca 0.00 1.24 0.09 0.00 -1.36 0.00 0.00 55.97 55.94 3ktm s LYS 60 Cb 0.00 -3.62 0.09 0.00 -1.68 0.00 0.00 37.83 32.62 3ktm s LYS 60 CO 0.00 -0.52 0.73 0.95 -0.76 0.00 0.00 175.35 175.75 3ktm s THR 61 N 2.83 1.92 0.35 2.17 -4.23 -1.26 -1.28 115.64 116.13 3ktm s THR 61 Ca 0.42 -1.11 -0.26 0.00 -1.18 0.00 0.00 61.69 59.56 3ktm s THR 61 Cb -0.16 -2.03 -0.13 0.00 1.34 0.00 0.00 72.50 71.53 3ktm s THR 61 CO 0.09 0.00 0.91 0.00 -0.54 0.00 0.00 174.62 175.07 3ktm s ILE 63 N -1.20 3.47 -1.19 0.00 1.01 -1.26 -5.00 121.20 117.03 3ktm s ILE 63 Ca 0.61 -0.92 0.12 0.00 0.00 0.00 0.00 60.65 60.46 3ktm s ILE 63 Cb -0.65 -2.52 0.03 0.00 0.01 0.00 0.00 42.46 39.33 3ktm s ILE 63 CO 0.58 0.34 0.74 -0.67 0.00 0.00 0.00 174.94 175.94 3ktm n ASP 64 N 1.42 1.52 -4.48 3.58 -0.08 -1.26 -4.93 116.55 112.31 3ktm n ASP 64 Ca -0.15 -1.26 -0.28 0.00 -1.51 0.00 0.00 54.79 51.59 3ktm n ASP 64 Cb 0.52 0.33 -0.11 0.00 2.34 0.00 0.00 41.12 44.20 3ktm n ASP 64 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3ktm s THR 65 N -1.34 2.74 0.25 5.18 -4.23 -1.26 -5.01 115.64 111.97 3ktm s THR 65 Ca 0.11 -1.74 -0.03 0.00 -1.18 0.00 0.00 61.69 58.84 3ktm s THR 65 Cb 0.09 -2.30 0.15 0.00 1.34 0.00 0.00 72.50 71.78 3ktm s THR 65 CO 0.25 -0.03 1.79 0.11 -0.54 0.00 0.00 174.62 176.20 3ktm h LYS 66 N 3.32 0.94 -0.35 3.99 6.56 -1.94 0.27 116.57 129.36 3ktm h LYS 66 Ca -0.48 -0.20 -0.07 0.00 -1.06 0.00 0.00 60.65 58.84 3ktm h LYS 66 Cb 1.19 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 32.70 3ktm h LYS 66 CO 0.48 0.83 -0.09 1.05 -2.06 0.00 0.00 179.45 179.66 3ktm h GLU 67 N 0.90 0.59 -0.38 3.15 9.09 -1.95 -0.59 114.58 125.39 3ktm h GLU 67 Ca 0.20 -0.17 -0.14 0.00 0.05 0.00 0.00 59.36 59.30 3ktm h GLU 67 Cb 0.31 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.34 3ktm h GLU 67 CO -0.00 0.67 -0.32 0.78 0.05 0.00 0.00 179.01 180.19 3ktm h GLY 68 N 0.93 0.96 1.04 1.06 0.00 -1.76 -2.10 103.07 103.21 3ktm h GLY 68 Ca 0.10 -0.95 -0.07 0.00 0.00 0.00 0.00 47.33 46.40 3ktm h GLY 68 CO 0.03 0.86 0.08 -2.22 0.00 0.00 0.00 176.54 175.29 3ktm h ILE 69 N 0.69 1.26 -0.89 2.60 2.04 -0.64 -1.15 117.51 121.42 3ktm h ILE 69 Ca 0.07 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 3ktm h ILE 69 Cb 0.90 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 3ktm h ILE 69 CO 0.08 0.37 0.50 0.25 0.00 0.00 0.00 178.15 179.35 3ktm h LEU 70 N 0.90 1.10 -0.16 1.44 5.85 -1.02 -0.94 115.31 122.48 3ktm h LEU 70 Ca 0.18 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ktm h LEU 70 Cb 0.45 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3ktm h LEU 70 CO 0.01 0.87 0.09 1.56 -0.34 0.00 0.00 178.44 180.64 3ktm h GLN 71 N 1.23 0.21 -0.41 1.25 4.20 -0.98 -1.34 115.11 119.28 3ktm h GLN 71 Ca 0.31 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.04 3ktm h GLN 71 Cb 0.01 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 3ktm h GLN 71 CO -0.05 0.20 0.17 -0.92 -0.67 0.00 0.00 178.83 177.56 3ktm h TYR 72 N 0.17 0.31 -0.57 2.96 3.20 -0.87 0.14 116.97 122.31 3ktm h TYR 72 Ca 0.06 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.03 3ktm h TYR 72 Cb 0.04 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.16 3ktm h TYR 72 CO -0.05 0.14 0.20 0.00 -1.64 0.00 0.00 178.16 176.81 3ktm h GLN 74 N 0.38 0.42 -0.04 0.00 4.20 -0.37 -1.64 115.11 118.06 3ktm h GLN 74 Ca 0.28 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 3ktm h GLN 74 Cb 0.34 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3ktm h GLN 74 CO -0.29 0.62 -0.03 0.93 -0.67 0.00 0.00 178.83 179.39 3ktm h GLU 75 N 0.38 0.09 0.00 1.46 5.08 0.32 -3.10 114.58 118.81 3ktm h GLU 75 Ca 0.06 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3ktm h GLU 75 Cb 0.60 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3ktm h GLU 75 CO 0.04 0.51 -0.21 0.28 -1.00 0.00 0.00 179.01 178.64 3ktm h VAL 76 N -0.34 0.83 -2.17 3.13 2.07 -0.89 -3.31 116.25 115.57 3ktm h VAL 76 Ca 0.01 -0.80 -0.57 0.00 0.82 0.00 0.00 66.70 66.16 3ktm h VAL 76 Cb 0.49 1.48 -0.41 0.00 -1.52 0.00 0.00 31.29 31.32 3ktm h VAL 76 CO 0.01 0.20 -0.79 -1.22 0.02 0.00 0.00 177.57 175.79 3ktm n TYR 77 N -3.83 2.70 0.31 1.57 4.01 -0.62 -4.94 117.16 116.36 3ktm n TYR 77 Ca -0.02 -3.96 0.19 0.00 -0.16 0.00 0.00 57.90 53.96 3ktm n TYR 77 Cb 0.30 -0.48 1.05 0.00 -0.31 0.00 0.00 39.34 39.91 3ktm n TYR 77 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ktm h PRO 78 N 3.41 0.00 -0.01 -0.72 0.13 -1.63 -1.91 132.00 131.26 3ktm h PRO 78 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3ktm h PRO 78 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3ktm h PRO 78 CO 0.72 0.00 -0.05 -0.85 -0.23 0.00 0.00 178.00 177.59 3ktm n GLU 79 N -3.37 1.18 -4.36 0.86 -0.00 -1.26 -4.85 120.64 108.83 3ktm n GLU 79 Ca -0.02 -0.49 -0.29 0.00 -0.00 0.00 0.00 57.16 56.36 3ktm n GLU 79 Cb 0.13 -1.49 -0.12 0.00 -0.00 0.00 0.00 31.44 29.96 3ktm n GLU 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3ktm s LEU 80 N -2.16 2.49 -1.17 -1.84 1.43 -0.72 -5.06 118.68 111.65 3ktm s LEU 80 Ca 0.37 -0.69 -0.14 0.00 -1.03 0.00 0.00 54.13 52.64 3ktm s LEU 80 Cb 0.21 -1.35 0.17 0.00 0.03 0.00 0.00 46.19 45.25 3ktm s LEU 80 CO 0.39 0.17 1.38 -1.58 0.23 0.00 0.00 176.35 176.95 3ktm s GLN 81 N -2.17 4.03 -0.01 1.70 0.74 -1.26 -4.97 119.66 117.72 3ktm s GLN 81 Ca 0.16 -2.51 -0.30 0.00 0.05 0.00 0.00 55.36 52.77 3ktm s GLN 81 Cb -0.10 -5.02 -0.04 0.00 1.10 0.00 0.00 33.01 28.94 3ktm s GLN 81 CO 0.08 -1.75 1.26 0.42 -0.55 0.00 0.00 175.29 174.76 3ktm s ILE 82 N 1.60 4.03 -0.14 -2.34 -1.09 -1.26 -0.94 121.20 121.06 3ktm s ILE 82 Ca 0.41 1.40 0.02 0.00 -2.23 0.00 0.00 60.65 60.25 3ktm s ILE 82 Cb -0.03 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 3ktm s ILE 82 CO -0.01 0.02 0.21 0.35 -1.23 0.00 0.00 174.94 174.28 3ktm n THR 83 N 4.48 0.00 -3.76 2.92 -2.24 -0.14 -4.91 114.28 110.64 3ktm n THR 83 Ca 0.11 -0.47 -0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3ktm n THR 83 Cb 0.45 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 3ktm n THR 83 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ktm s ASN 84 N -0.92 -0.06 0.08 3.42 3.84 -1.22 -5.01 114.94 115.07 3ktm s ASN 84 Ca 0.01 -0.31 -0.01 0.00 0.21 0.00 0.00 52.86 52.76 3ktm s ASN 84 Cb 0.02 0.30 -0.04 0.00 -0.55 0.00 0.00 41.25 40.98 3ktm s ASN 84 CO 0.07 -0.57 0.00 0.68 -2.79 0.00 0.00 177.10 174.49 3ktm s VAL 85 N -2.52 0.18 -0.27 -5.21 -7.23 -1.26 -0.70 120.40 103.39 3ktm s VAL 85 Ca 0.18 -1.84 -0.25 0.00 -1.81 0.00 0.00 61.98 58.26 3ktm s VAL 85 Cb 0.01 -1.71 0.08 0.00 0.56 0.00 0.00 36.38 35.32 3ktm s VAL 85 CO -0.00 -0.81 0.75 0.54 -0.31 0.00 0.00 175.10 175.28 3ktm s VAL 86 N -3.97 0.00 0.61 1.32 0.11 -1.00 -3.24 120.40 114.24 3ktm s VAL 86 Ca 0.13 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.99 3ktm s VAL 86 Cb 0.08 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 3ktm s VAL 86 CO -0.06 0.00 1.32 -0.62 -3.33 0.00 0.00 175.10 172.41 3ktm n GLU 87 N 2.66 1.33 -1.75 1.54 4.71 -1.26 -0.42 120.64 127.44 3ktm n GLU 87 Ca -0.14 0.51 -0.31 0.00 -0.01 0.00 0.00 57.16 57.21 3ktm n GLU 87 Cb 0.55 -2.55 0.04 0.00 -1.01 0.00 0.00 31.44 28.47 3ktm n GLU 87 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ktm s ALA 88 N -1.35 2.81 -0.61 0.62 0.00 -0.39 -4.74 121.76 118.09 3ktm s ALA 88 Ca 0.79 -0.14 0.25 0.00 0.00 0.00 0.00 51.96 52.85 3ktm s ALA 88 Cb -0.39 -3.09 0.56 0.00 0.00 0.00 0.00 23.12 20.20 3ktm s ALA 88 CO 0.43 -1.11 1.61 -0.91 0.00 0.00 0.00 175.76 175.78 3ktm h ASN 89 N -0.63 0.00 -5.00 0.00 2.35 -1.94 -3.46 115.58 106.90 3ktm h ASN 89 Ca -0.45 -0.04 -0.15 0.00 -0.55 0.00 0.00 56.30 55.12 3ktm h ASN 89 Cb 1.23 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.39 3ktm h ASN 89 CO 0.61 0.02 -0.57 0.00 -1.65 0.00 0.00 177.43 175.83 3ktm s GLN 90 N -3.16 0.43 0.79 0.81 0.00 -1.26 -5.00 119.66 112.28 3ktm s GLN 90 Ca 0.08 -0.52 -0.11 0.00 -0.00 0.00 0.00 55.36 54.81 3ktm s GLN 90 Cb 0.10 0.17 0.07 0.00 0.00 0.00 0.00 33.01 33.35 3ktm s GLN 90 CO 0.65 -0.09 1.09 -1.25 0.00 0.00 0.00 175.29 175.68 3ktm s PRO 91 N -1.56 2.10 0.11 9.60 0.04 -1.26 -4.58 135.00 139.45 3ktm s PRO 91 Ca -0.14 1.00 0.04 0.00 0.04 0.00 0.00 61.00 61.94 3ktm s PRO 91 Cb -0.08 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3ktm s PRO 91 CO -0.00 -1.71 -0.10 0.08 0.04 0.00 0.00 177.00 175.31 3ktm s VAL 92 N -2.96 0.99 -0.21 -0.36 1.01 0.12 -4.88 120.40 114.11 3ktm s VAL 92 Ca 0.61 -1.75 -0.11 0.00 0.00 0.00 0.00 61.98 60.73 3ktm s VAL 92 Cb -0.17 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 3ktm s VAL 92 CO 0.56 -0.61 0.16 -0.89 0.00 0.00 0.00 175.10 174.32 3ktm s THR 93 N -2.70 5.38 -0.06 3.92 2.01 -1.26 -0.16 115.64 122.78 3ktm s THR 93 Ca 0.08 0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.36 3ktm s THR 93 Cb -0.01 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 3ktm s THR 93 CO -0.00 0.40 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.48 3ktm s ILE 94 N 0.65 1.82 0.30 1.82 -1.09 0.90 -4.93 121.20 120.67 3ktm s ILE 94 Ca 0.09 -0.93 0.10 0.00 -2.23 0.00 0.00 60.65 57.67 3ktm s ILE 94 Cb -0.12 -1.55 -0.05 0.00 -1.58 0.00 0.00 42.46 39.16 3ktm s ILE 94 CO 0.01 0.51 -0.01 -1.10 -1.23 0.00 0.00 174.94 173.12 3ktm s GLN 95 N -0.05 2.16 -0.82 2.79 -0.21 -1.26 -0.94 119.66 121.33 3ktm s GLN 95 Ca -0.05 -1.57 -0.02 0.00 0.02 0.00 0.00 55.36 53.74 3ktm s GLN 95 Cb -0.13 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 31.84 3ktm s GLN 95 CO 0.03 0.26 0.69 0.09 -2.12 0.00 0.00 175.29 174.25 3ktm n ASN 96 N -0.91 -2.98 -4.73 5.90 3.02 -1.23 -4.90 115.26 109.43 3ktm n ASN 96 Ca -0.05 -0.39 -0.41 0.00 -0.03 0.00 0.00 54.58 53.70 3ktm n ASN 96 Cb 0.60 -3.49 -0.03 0.00 -0.61 0.00 0.00 39.78 36.25 3ktm n ASN 96 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3ktm s TRP 97 N -3.23 3.53 0.38 3.10 0.52 -1.24 -4.81 118.94 117.19 3ktm s TRP 97 Ca 0.13 1.48 -0.00 0.00 0.02 0.00 0.00 56.10 57.73 3ktm s TRP 97 Cb -0.06 -3.33 -0.03 0.00 -1.15 0.00 0.00 33.47 28.91 3ktm s TRP 97 CO 0.48 -0.85 0.61 0.00 0.02 0.00 0.00 176.95 177.20 3ktm s LYS 99 N -4.42 2.30 0.13 0.00 2.20 -1.26 -0.90 119.74 117.78 3ktm s LYS 99 Ca 0.42 -0.83 -0.33 0.00 -0.36 0.00 0.00 55.97 54.87 3ktm s LYS 99 Cb -0.10 -2.19 -0.13 0.00 -1.51 0.00 0.00 37.83 33.91 3ktm s LYS 99 CO 0.38 0.58 1.68 -2.13 -0.36 0.00 0.00 175.35 175.50 3ktm n ARG 100 N 2.41 2.34 0.00 4.03 0.63 -1.26 -2.11 116.66 122.70 3ktm n ARG 100 Ca -0.17 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.61 3ktm n ARG 100 Cb 0.52 -2.66 0.00 0.00 0.45 0.00 0.00 32.46 30.77 3ktm n ARG 100 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ktm n GLY 101 N 3.76 2.48 3.77 5.14 0.00 -1.26 -5.02 105.19 114.06 3ktm n GLY 101 Ca 0.18 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3ktm n GLY 101 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ktm s ARG 102 N 0.00 4.20 0.00 1.61 3.52 -0.90 -4.96 118.95 122.42 3ktm s ARG 102 Ca 0.00 2.44 -0.19 0.00 -0.13 0.00 0.00 55.73 57.86 3ktm s ARG 102 Cb 0.00 -3.01 -0.32 0.00 -1.56 0.00 0.00 34.95 30.06 3ktm s ARG 102 CO 0.00 -0.41 0.98 0.87 -0.81 0.00 0.00 175.30 175.93 3ktm h LYS 103 N 3.25 0.45 -5.79 5.12 1.79 -1.95 -3.41 116.57 116.01 3ktm h LYS 103 Ca -0.50 -0.72 -0.58 0.00 -2.18 0.00 0.00 60.65 56.67 3ktm h LYS 103 Cb 1.23 0.26 -0.08 0.00 -1.58 0.00 0.00 32.23 32.06 3ktm h LYS 103 CO 0.65 1.33 0.19 -1.14 -1.08 0.00 0.00 179.45 179.41 3ktm s GLN 104 N -2.62 4.27 -0.84 3.15 0.74 -1.26 -5.00 119.66 118.09 3ktm s GLN 104 Ca -0.11 0.76 -0.12 0.00 0.05 0.00 0.00 55.36 55.94 3ktm s GLN 104 Cb 0.03 -3.56 0.22 0.00 1.10 0.00 0.00 33.01 30.80 3ktm s GLN 104 CO 0.89 -0.22 0.77 0.00 -0.55 0.00 0.00 175.29 176.19 3ktm s LYS 106 N -0.02 4.24 -1.06 0.00 1.02 -1.26 -4.68 119.74 117.97 3ktm s LYS 106 Ca 0.19 2.33 -0.24 0.00 0.02 0.00 0.00 55.97 58.27 3ktm s LYS 106 Cb -0.11 -3.14 -0.14 0.00 -0.52 0.00 0.00 37.83 33.92 3ktm s LYS 106 CO -0.08 -0.54 1.95 2.41 -0.92 0.00 0.00 175.35 178.17 3ktm n THR 107 N 3.40 1.48 -3.89 2.17 -1.04 -1.26 -3.52 114.28 111.62 3ktm n THR 107 Ca 0.11 -1.50 -0.29 0.00 -2.04 0.00 0.00 64.05 60.33 3ktm n THR 107 Cb 0.39 -2.15 -0.12 0.00 -1.82 0.00 0.00 70.33 66.63 3ktm n THR 107 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3ktm s HIS 108 N 11.27 3.55 0.10 -1.42 5.04 -1.26 -4.72 115.29 127.85 3ktm s HIS 108 Ca 0.69 -3.29 -0.30 0.00 -1.54 0.00 0.00 55.06 50.62 3ktm s HIS 108 Cb 0.01 -2.77 -0.16 0.00 0.04 0.00 0.00 32.58 29.70 3ktm s HIS 108 CO 0.15 -0.59 0.68 -2.30 -2.34 0.00 0.00 174.74 170.35 3ktm n PRO 109 N 2.15 0.00 -3.97 2.88 -0.02 -1.26 -4.65 135.00 130.14 3ktm n PRO 109 Ca 0.18 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.52 3ktm n PRO 109 Cb 0.35 -1.09 -0.14 0.00 -0.02 0.00 0.00 33.50 32.59 3ktm n PRO 109 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3ktm s HIS 110 N -0.49 0.19 -0.33 6.00 3.76 -0.12 -4.96 115.29 119.33 3ktm s HIS 110 Ca 0.68 -0.02 -0.13 0.00 -0.15 0.00 0.00 55.06 55.43 3ktm s HIS 110 Cb -0.97 -0.15 -0.02 0.00 1.11 0.00 0.00 32.58 32.55 3ktm s HIS 110 CO 0.50 -0.02 0.25 0.12 -0.85 0.00 0.00 174.74 174.75 3ktm s PHE 111 N 0.11 3.23 0.06 1.40 5.99 -1.26 -0.07 117.98 127.44 3ktm s PHE 111 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 56.93 56.77 3ktm s PHE 111 Cb -0.03 -2.49 -0.04 0.00 0.00 0.00 0.00 43.02 40.46 3ktm s PHE 111 CO -0.00 -0.35 -0.05 0.14 -0.00 0.00 0.00 175.22 174.96 3ktm s VAL 112 N 1.77 0.39 -0.39 3.12 -7.23 0.77 -4.88 120.40 113.96 3ktm s VAL 112 Ca 0.07 -1.65 -0.17 0.00 -1.81 0.00 0.00 61.98 58.42 3ktm s VAL 112 Cb -0.17 -1.30 0.01 0.00 0.56 0.00 0.00 36.38 35.47 3ktm s VAL 112 CO 0.11 -0.83 0.44 -0.63 -0.31 0.00 0.00 175.10 173.88 3ktm s ILE 113 N -3.22 5.08 0.95 -0.62 1.09 -1.26 0.15 121.20 123.37 3ktm s ILE 113 Ca 0.04 -0.08 -0.12 0.00 -1.10 0.00 0.00 60.65 59.38 3ktm s ILE 113 Cb 0.03 -3.97 0.16 0.00 -1.06 0.00 0.00 42.46 37.62 3ktm s ILE 113 CO -0.06 -0.30 1.11 -2.84 -0.10 0.00 0.00 174.94 172.75 3ktm s PRO 114 N 2.19 0.83 -0.19 2.79 0.02 -1.26 -4.76 135.00 134.61 3ktm s PRO 114 Ca 0.14 0.46 -0.03 0.00 0.02 0.00 0.00 61.00 61.59 3ktm s PRO 114 Cb -0.16 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.56 3ktm s PRO 114 CO 0.13 -2.45 -0.08 0.71 -0.33 0.00 0.00 177.00 174.99 3ktm s TYR 115 N -3.09 2.91 0.09 6.54 1.51 0.13 -1.26 117.35 124.18 3ktm s TYR 115 Ca 0.64 -0.91 -0.30 0.00 -1.01 0.00 0.00 57.07 55.49 3ktm s TYR 115 Cb -0.17 -2.03 -0.05 0.00 -0.11 0.00 0.00 41.96 39.60 3ktm s TYR 115 CO 0.56 -0.48 0.99 1.03 -1.11 0.00 0.00 175.55 176.54 3ktm s ARG 116 N 1.18 4.64 -0.60 -0.62 0.52 0.44 -0.98 118.95 123.52 3ktm s ARG 116 Ca 0.02 1.49 -0.21 0.00 -0.52 0.00 0.00 55.73 56.50 3ktm s ARG 116 Cb -0.14 -3.39 0.07 0.00 0.52 0.00 0.00 34.95 32.01 3ktm s ARG 116 CO -0.02 0.11 0.84 0.00 0.02 0.00 0.00 175.30 176.24 3ktm s LEU 118 N 3.44 4.40 -0.10 0.00 1.43 0.12 -4.65 118.68 123.32 3ktm s LEU 118 Ca 0.19 2.35 -0.03 0.00 -1.03 0.00 0.00 54.13 55.61 3ktm s LEU 118 Cb -0.19 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 3ktm s LEU 118 CO 0.11 -0.57 0.03 -0.69 0.23 0.00 0.00 176.35 175.46 3ktm s VAL 119 N 0.54 4.55 0.00 -1.59 1.01 -1.26 -0.96 120.40 122.68 3ktm s VAL 119 Ca 0.60 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.43 3ktm s VAL 119 Cb -0.36 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3ktm s VAL 119 CO 0.35 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.65 3ktm n GLY 120 N 2.27 1.26 3.73 4.51 0.00 -0.11 -4.64 105.19 112.19 3ktm n GLY 120 Ca -0.19 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3ktm n GLY 120 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ktm s GLU 121 N 0.00 4.28 0.29 1.61 2.12 -1.26 -4.68 118.70 121.05 3ktm s GLU 121 Ca 0.00 2.23 -0.29 0.00 0.36 0.00 0.00 54.97 57.27 3ktm s GLU 121 Cb 0.00 -3.17 -0.10 0.00 0.26 0.00 0.00 34.13 31.12 3ktm s GLU 121 CO 0.00 -0.47 1.29 0.12 -0.54 0.00 0.00 175.26 175.66 3ktm s PHE 122 N 0.72 3.16 -0.06 5.30 5.36 -1.26 -5.03 117.98 126.16 3ktm s PHE 122 Ca 0.64 1.37 -0.03 0.00 -0.96 0.00 0.00 56.93 57.96 3ktm s PHE 122 Cb -0.41 -3.63 0.04 0.00 -0.34 0.00 0.00 43.02 38.68 3ktm s PHE 122 CO 0.35 -1.77 0.13 0.08 -1.46 0.00 0.00 175.22 172.55 3ktm s VAL 123 N -0.77 -0.05 0.59 3.12 1.01 -1.26 -5.10 120.40 117.94 3ktm s VAL 123 Ca 0.51 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.48 3ktm s VAL 123 Cb -0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 3ktm s VAL 123 CO 0.47 0.08 1.28 -0.94 0.00 0.00 0.00 175.10 175.99 3ktm s SER 124 N 1.16 5.04 0.48 3.32 1.04 -1.26 -4.94 113.70 118.54 3ktm s SER 124 Ca -0.09 2.59 -0.24 0.00 0.48 0.00 0.00 55.95 58.68 3ktm s SER 124 Cb -0.12 -2.62 -0.07 0.00 0.10 0.00 0.00 66.02 63.31 3ktm s SER 124 CO -0.06 -1.71 1.42 -1.81 0.98 0.00 0.00 173.24 172.07 3ktm s ASP 125 N -1.32 5.65 0.13 7.02 1.01 -1.26 -4.98 116.67 122.92 3ktm s ASP 125 Ca 0.77 2.91 -0.27 0.00 0.71 0.00 0.00 52.55 56.67 3ktm s ASP 125 Cb -0.36 -2.65 -0.07 0.00 1.01 0.00 0.00 42.92 40.85 3ktm s ASP 125 CO 0.40 -1.33 0.85 0.00 0.21 0.00 0.00 175.17 175.30 3ktm s ALA 126 N -1.22 3.35 0.01 5.23 0.00 -1.26 -4.96 121.76 122.91 3ktm s ALA 126 Ca 0.64 0.43 0.09 0.00 0.00 0.00 0.00 51.96 53.12 3ktm s ALA 126 Cb -0.44 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 3ktm s ALA 126 CO 0.55 0.13 -0.26 -0.51 0.00 0.00 0.00 175.76 175.67 3ktm s LEU 127 N -0.53 2.12 -0.04 0.00 1.43 -1.26 -5.10 118.68 115.30 3ktm s LEU 127 Ca 0.40 -0.52 -0.25 0.00 -1.03 0.00 0.00 54.13 52.73 3ktm s LEU 127 Cb -0.23 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 3ktm s LEU 127 CO 0.27 0.29 0.75 -0.76 0.23 0.00 0.00 176.35 177.14 3ktm s LEU 128 N -0.91 4.35 -0.43 1.79 1.43 -1.26 -5.02 118.68 118.62 3ktm s LEU 128 Ca 0.11 1.30 -0.05 0.00 -1.03 0.00 0.00 54.13 54.46 3ktm s LEU 128 Cb -0.10 -3.18 0.11 0.00 0.03 0.00 0.00 46.19 43.05 3ktm s LEU 128 CO 0.00 -0.12 0.26 -0.69 0.23 0.00 0.00 176.35 176.03 3ktm s VAL 129 N 0.70 3.60 0.64 -1.59 1.01 -1.26 -4.94 120.40 118.57 3ktm s VAL 129 Ca 0.40 -1.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.21 3ktm s VAL 129 Cb -0.19 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 3ktm s VAL 129 CO 0.20 -0.72 1.21 -2.16 0.00 0.00 0.00 175.10 173.63 3ktm s PRO 130 N 1.18 2.67 0.22 2.72 0.04 -1.26 -4.87 135.00 135.71 3ktm s PRO 130 Ca 0.08 1.81 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 3ktm s PRO 130 Cb -0.24 -1.89 -0.15 0.00 0.04 0.00 0.00 34.50 32.26 3ktm s PRO 130 CO -0.03 -1.44 0.97 -0.25 0.04 0.00 0.00 177.00 176.29 3ktm n ASP 131 N -2.01 0.78 0.00 6.66 10.43 -1.26 -1.49 116.55 129.66 3ktm n ASP 131 Ca 0.14 1.16 0.00 0.00 2.57 0.00 0.00 54.79 58.65 3ktm n ASP 131 Cb 0.50 -1.19 0.00 0.00 1.84 0.00 0.00 41.12 42.27 3ktm n ASP 131 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3ktm n LYS 132 N 1.16 0.00 -2.66 -1.24 4.76 -1.26 -4.99 118.16 113.93 3ktm n LYS 132 Ca 0.13 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.34 3ktm n LYS 132 Cb 0.27 -2.61 0.03 0.00 -1.84 0.00 0.00 35.03 30.89 3ktm n LYS 132 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ktm s LYS 134 N -4.79 1.14 -0.24 0.00 1.02 0.65 -4.88 119.74 112.64 3ktm s LYS 134 Ca 0.54 -0.70 -0.18 0.00 0.02 0.00 0.00 55.97 55.65 3ktm s LYS 134 Cb -0.10 -1.15 -0.03 0.00 -0.52 0.00 0.00 37.83 36.02 3ktm s LYS 134 CO 0.40 0.30 0.50 0.12 -0.92 0.00 0.00 175.35 175.75 3ktm s PHE 135 N -0.63 3.30 0.32 3.18 2.19 -1.26 -1.15 117.98 123.92 3ktm s PHE 135 Ca 0.04 0.65 0.06 0.00 0.33 0.00 0.00 56.93 58.02 3ktm s PHE 135 Cb -0.07 -2.69 -0.06 0.00 -1.31 0.00 0.00 43.02 38.89 3ktm s PHE 135 CO 0.01 -0.22 -0.02 -0.51 1.83 0.00 0.00 175.22 176.31 3ktm s LEU 136 N 2.07 2.50 -0.17 6.12 1.43 -0.10 -5.00 118.68 125.53 3ktm s LEU 136 Ca 0.21 -1.27 -0.26 0.00 -1.03 0.00 0.00 54.13 51.78 3ktm s LEU 136 Cb -0.16 -0.65 0.06 0.00 0.03 0.00 0.00 46.19 45.48 3ktm s LEU 136 CO 0.09 -0.42 0.66 -1.38 0.23 0.00 0.00 176.35 175.53 3ktm s HIS 137 N -3.00 -0.68 -0.01 0.29 -3.43 -1.26 -0.77 115.29 106.43 3ktm s HIS 137 Ca 0.33 1.49 0.03 0.00 -0.80 0.00 0.00 55.06 56.10 3ktm s HIS 137 Cb 0.06 0.30 -0.00 0.00 -1.43 0.00 0.00 32.58 31.51 3ktm s HIS 137 CO 0.14 -0.45 -0.09 -0.65 -2.00 0.00 0.00 174.74 171.70 3ktm s GLN 138 N -0.27 0.77 0.12 -0.38 -0.21 -0.50 -4.99 119.66 114.19 3ktm s GLN 138 Ca -0.05 -0.30 -0.07 0.00 0.02 0.00 0.00 55.36 54.96 3ktm s GLN 138 Cb -0.03 -0.74 -0.01 0.00 1.00 0.00 0.00 33.01 33.23 3ktm s GLN 138 CO 0.04 0.16 0.19 -1.21 -2.12 0.00 0.00 175.29 172.35 3ktm s GLU 139 N -0.05 0.94 -0.28 2.91 8.01 -1.26 -0.83 118.70 128.13 3ktm s GLU 139 Ca 0.01 -1.11 -0.02 0.00 0.01 0.00 0.00 54.97 53.87 3ktm s GLU 139 Cb -0.05 0.33 0.17 0.00 -4.31 0.00 0.00 34.13 30.27 3ktm s GLU 139 CO -0.00 -0.31 0.52 1.03 0.01 0.00 0.00 175.26 176.52 3ktm s ARG 140 N -3.92 0.49 0.25 1.61 0.52 -0.80 -5.00 118.95 112.09 3ktm s ARG 140 Ca 0.11 0.84 0.17 0.00 -0.52 0.00 0.00 55.73 56.34 3ktm s ARG 140 Cb 0.05 0.20 0.92 0.00 0.52 0.00 0.00 34.95 36.64 3ktm s ARG 140 CO -0.06 -0.63 1.53 -1.33 0.02 0.00 0.00 175.30 174.83 3ktm n MET 141 N 5.41 0.11 -0.75 3.54 2.81 -1.26 -2.22 117.12 124.76 3ktm n MET 141 Ca -0.02 0.58 -0.01 0.00 -1.81 0.00 0.00 57.70 56.45 3ktm n MET 141 Cb 0.51 -1.85 0.25 0.00 -0.71 0.00 0.00 33.22 31.42 3ktm n MET 141 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3ktm n ASP 142 N -2.09 3.71 -4.07 7.83 3.85 -1.26 -4.96 116.55 119.56 3ktm n ASP 142 Ca -0.01 -3.33 -0.15 0.00 -0.71 0.00 0.00 54.79 50.59 3ktm n ASP 142 Cb 0.05 -0.64 -0.12 0.00 -1.35 0.00 0.00 41.12 39.05 3ktm n ASP 142 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3ktm s VAL 143 N -3.03 0.66 -0.30 2.12 -7.23 -0.94 -5.11 120.40 106.56 3ktm s VAL 143 Ca 0.47 -1.01 -0.03 0.00 -1.81 0.00 0.00 61.98 59.61 3ktm s VAL 143 Cb 0.40 -0.68 0.11 0.00 0.56 0.00 0.00 36.38 36.76 3ktm s VAL 143 CO 0.07 -0.27 0.14 0.00 -0.31 0.00 0.00 175.10 174.74 3ktm s GLU 145 N 1.87 2.16 0.59 0.00 0.41 -0.23 -4.83 118.70 118.68 3ktm s GLU 145 Ca 0.11 -2.27 -0.07 0.00 -0.41 0.00 0.00 54.97 52.33 3ktm s GLU 145 Cb -0.17 -1.65 0.00 0.00 -1.78 0.00 0.00 34.13 30.53 3ktm s GLU 145 CO -0.30 -0.31 0.92 0.95 -0.49 0.00 0.00 175.26 176.03 3ktm s THR 146 N -2.82 3.81 0.27 3.63 -4.23 -1.26 0.31 115.64 115.35 3ktm s THR 146 Ca 0.17 0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 60.75 3ktm s THR 146 Cb 0.03 -3.52 0.25 0.00 1.34 0.00 0.00 72.50 70.60 3ktm s THR 146 CO 0.09 -0.55 1.93 -0.74 -0.54 0.00 0.00 174.62 174.81 3ktm h HIS 147 N -0.19 1.17 -0.54 3.99 -0.00 -1.97 -1.93 115.15 115.68 3ktm h HIS 147 Ca -0.45 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 3ktm h HIS 147 Cb 1.25 -0.39 -0.03 0.00 -0.00 0.00 0.00 27.41 28.24 3ktm h HIS 147 CO 0.49 0.75 0.34 1.25 -0.00 0.00 0.00 177.93 180.76 3ktm h LEU 148 N 1.24 0.63 0.14 0.26 5.85 -1.96 -0.33 115.31 121.15 3ktm h LEU 148 Ca 0.33 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3ktm h LEU 148 Cb -0.11 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 3ktm h LEU 148 CO -0.07 0.48 -0.14 -0.74 -0.34 0.00 0.00 178.44 177.63 3ktm h HIS 149 N 0.72 -0.37 0.00 1.25 2.76 -1.75 -1.69 115.15 116.08 3ktm h HIS 149 Ca 0.19 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.31 3ktm h HIS 149 Cb -0.05 0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 3ktm h HIS 149 CO -0.03 -0.22 -0.29 -1.49 -1.30 0.00 0.00 177.93 174.61 3ktm h TRP 150 N -0.31 0.00 -0.23 5.26 4.06 -1.27 -0.99 115.95 122.47 3ktm h TRP 150 Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 3ktm h TRP 150 Cb 0.30 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.45 3ktm h TRP 150 CO -0.13 0.29 0.03 1.25 -3.56 0.00 0.00 178.44 176.32 3ktm h HIS 151 N 0.00 0.41 -0.39 0.49 2.76 -0.73 -1.46 115.15 116.23 3ktm h HIS 151 Ca -0.00 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 3ktm h HIS 151 Cb 0.58 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 3ktm h HIS 151 CO 0.00 0.52 0.25 1.15 -1.30 0.00 0.00 177.93 178.55 3ktm h THR 152 N 0.18 1.11 -0.23 6.26 2.02 -0.79 0.30 112.91 121.75 3ktm h THR 152 Ca 0.07 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 67.08 3ktm h THR 152 Cb 0.34 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 3ktm h THR 152 CO 0.01 0.11 -0.03 0.58 0.37 0.00 0.00 175.52 176.55 3ktm h VAL 153 N 0.52 0.80 -0.51 3.16 2.07 -1.05 0.31 116.25 121.56 3ktm h VAL 153 Ca 0.14 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3ktm h VAL 153 Cb -0.04 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3ktm h VAL 153 CO -0.03 0.01 0.29 0.00 0.02 0.00 0.00 177.57 177.86 3ktm h ALA 154 N 1.21 0.65 -0.01 1.67 0.00 -0.93 -0.79 119.26 121.06 3ktm h ALA 154 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ktm h ALA 154 Cb 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ktm h ALA 154 CO -0.21 0.16 0.01 -0.22 0.00 0.00 0.00 179.25 178.98 3ktm h LYS 155 N 0.68 0.01 -0.04 0.00 3.64 -0.39 -2.17 116.57 118.30 3ktm h LYS 155 Ca 0.18 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 3ktm h LYS 155 Cb 0.02 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 3ktm h LYS 155 CO -0.03 0.02 -0.23 0.93 -2.27 0.00 0.00 179.45 177.87 3ktm h GLU 156 N -0.00 -0.33 -0.49 1.90 5.08 -0.17 -0.39 114.58 120.18 3ktm h GLU 156 Ca 0.00 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3ktm h GLU 156 Cb 0.01 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.26 3ktm h GLU 156 CO -0.00 -0.22 0.07 1.15 -1.00 0.00 0.00 179.01 179.01 3ktm h THR 157 N -0.34 0.69 -0.47 1.13 2.02 -0.95 0.13 112.91 115.12 3ktm h THR 157 Ca 0.07 -0.07 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 3ktm h THR 157 Cb 0.45 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3ktm h THR 157 CO -0.24 0.04 -0.19 0.00 0.37 0.00 0.00 175.52 175.50 3ktm h SER 159 N 0.80 0.01 0.03 0.00 0.87 -0.39 0.14 113.55 115.00 3ktm h SER 159 Ca 0.11 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3ktm h SER 159 Cb 0.76 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 3ktm h SER 159 CO 0.06 0.00 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.01 3ktm h GLU 160 N 0.01 0.00 0.00 2.24 5.08 -0.73 0.56 114.58 121.74 3ktm h GLU 160 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ktm h GLU 160 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ktm h GLU 160 CO -0.00 0.02 0.00 1.63 -1.00 0.00 0.00 179.01 179.66 3ktm n LYS 161 N -4.38 0.86 -3.40 2.33 5.02 -0.84 -4.90 118.16 112.86 3ktm n LYS 161 Ca -0.03 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.09 3ktm n LYS 161 Cb 0.11 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.70 3ktm n LYS 161 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3ktm n SER 162 N -1.07 -2.60 -2.93 4.39 7.64 0.20 -5.02 113.62 114.22 3ktm n SER 162 Ca 0.22 -0.59 -0.16 0.00 1.01 0.00 0.00 58.87 59.35 3ktm n SER 162 Cb 0.14 -4.94 -0.05 0.00 -1.01 0.00 0.00 64.21 58.35 3ktm n SER 162 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3ktm n THR 163 N -4.13 0.00 -4.56 0.44 -2.24 0.42 -4.54 114.28 99.67 3ktm n THR 163 Ca -0.24 -1.76 -0.34 0.00 -2.27 0.00 0.00 64.05 59.44 3ktm n THR 163 Cb 0.65 0.75 -0.12 0.00 -2.10 0.00 0.00 70.33 69.52 3ktm n THR 163 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3ktm s ASN 164 N -2.77 4.67 -0.40 3.42 0.01 0.19 -4.04 114.94 116.02 3ktm s ASN 164 Ca 0.22 -0.06 -0.29 0.00 -0.71 0.00 0.00 52.86 52.02 3ktm s ASN 164 Cb 0.01 -1.39 0.02 0.00 0.41 0.00 0.00 41.25 40.30 3ktm s ASN 164 CO 0.16 0.30 1.10 -0.22 -1.51 0.00 0.00 177.10 176.92 3ktm s LEU 165 N -0.40 3.79 -0.07 0.60 2.96 -1.26 0.58 118.68 124.88 3ktm s LEU 165 Ca 0.06 0.72 0.17 0.00 -0.22 0.00 0.00 54.13 54.86 3ktm s LEU 165 Cb -0.12 -3.53 -0.22 0.00 0.50 0.00 0.00 46.19 42.82 3ktm s LEU 165 CO 0.02 -1.07 0.48 1.57 -1.32 0.00 0.00 176.35 176.03 3ktm n HIS 166 N 7.35 0.51 -3.56 5.38 -0.00 -0.11 -4.98 115.22 119.82 3ktm n HIS 166 Ca 0.12 0.18 -0.08 0.00 -0.00 0.00 0.00 57.72 57.93 3ktm n HIS 166 Cb 0.48 -1.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.43 3ktm n HIS 166 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 3ktm s ASP 167 N -5.58 -0.31 0.10 0.26 3.68 -1.24 -4.98 116.67 108.60 3ktm s ASP 167 Ca -0.06 0.16 -0.22 0.00 2.13 0.00 0.00 52.55 54.56 3ktm s ASP 167 Cb 0.08 0.29 0.06 0.00 -1.45 0.00 0.00 42.92 41.90 3ktm s ASP 167 CO 0.83 -0.41 0.53 -0.72 0.13 0.00 0.00 175.17 175.53 3ktm s TYR 168 N -2.09 -0.43 0.04 -5.34 1.13 -1.26 -0.69 117.35 108.72 3ktm s TYR 168 Ca 0.03 0.31 -0.08 0.00 -1.41 0.00 0.00 57.07 55.93 3ktm s TYR 168 Cb -0.01 0.41 -0.00 0.00 -1.10 0.00 0.00 41.96 41.26 3ktm s TYR 168 CO -0.04 -0.73 0.16 0.20 -2.51 0.00 0.00 175.55 172.63 3ktm s GLY 169 N -2.42 0.08 0.62 5.49 0.00 0.24 -4.96 107.32 106.37 3ktm s GLY 169 Ca -0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 44.72 44.20 3ktm s GLY 169 CO -0.08 -0.54 1.03 1.06 0.00 0.00 0.00 173.10 174.57 3ktm s MET 170 N -2.64 3.46 0.03 2.90 -1.94 -1.26 -0.22 119.30 119.63 3ktm s MET 170 Ca -0.05 0.90 0.02 0.00 -1.71 0.00 0.00 55.69 54.85 3ktm s MET 170 Cb -0.01 -2.06 -0.02 0.00 2.01 0.00 0.00 34.83 34.75 3ktm s MET 170 CO -0.04 -0.68 -0.07 -0.51 -0.01 0.00 0.00 175.02 173.71 3ktm s LEU 171 N -4.98 2.20 -0.44 -0.03 1.43 -0.70 -4.56 118.68 111.60 3ktm s LEU 171 Ca 0.58 -0.44 -0.33 0.00 -1.03 0.00 0.00 54.13 52.91 3ktm s LEU 171 Cb -0.12 -0.16 0.05 0.00 0.03 0.00 0.00 46.19 45.99 3ktm s LEU 171 CO 0.48 -0.15 0.64 0.18 0.23 0.00 0.00 176.35 177.72 3ktm n LEU 172 N 1.82 -3.94 -4.76 1.79 4.77 -1.26 -2.27 117.00 113.15 3ktm n LEU 172 Ca -0.21 0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.39 3ktm n LEU 172 Cb 0.56 -2.07 -0.02 0.00 -2.33 0.00 0.00 43.42 39.55 3ktm n LEU 172 CO 0.22 -0.64 1.03 -2.16 -1.33 0.00 0.00 177.39 174.50 3ktm s PRO 173 N -2.47 4.31 -0.03 3.23 0.04 -1.26 -0.67 135.00 138.14 3ktm s PRO 173 Ca 0.35 2.27 0.05 0.00 0.04 0.00 0.00 61.00 63.70 3ktm s PRO 173 Cb -0.05 -3.08 0.07 0.00 0.04 0.00 0.00 34.50 31.49 3ktm s PRO 173 CO 0.84 -0.29 0.94 0.00 0.04 0.00 0.00 177.00 178.53 3ktm n GLY 175 N -0.58 -1.70 3.60 0.00 0.00 -1.21 -4.95 105.19 100.34 3ktm n GLY 175 Ca 0.04 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 3ktm n GLY 175 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ktm s ILE 176 N -2.10 3.46 -1.28 -0.61 -1.09 -1.26 -2.53 121.20 115.78 3ktm s ILE 176 Ca 0.00 0.45 -0.05 0.00 -2.23 0.00 0.00 60.65 58.83 3ktm s ILE 176 Cb 0.00 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.24 3ktm s ILE 176 CO 0.00 -0.43 1.09 -0.67 -1.23 0.00 0.00 174.94 173.70 3ktm n ASP 177 N 10.51 -4.24 -3.89 3.58 2.03 -1.20 -4.91 116.55 118.43 3ktm n ASP 177 Ca 0.23 -0.58 -0.15 0.00 0.52 0.00 0.00 54.79 54.80 3ktm n ASP 177 Cb 0.47 -5.07 -0.15 0.00 -0.72 0.00 0.00 41.12 35.66 3ktm n ASP 177 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ktm s LYS 178 N -5.85 0.30 0.10 -0.67 -0.14 -1.05 -4.44 119.74 107.98 3ktm s LYS 178 Ca 0.30 -0.06 -0.00 0.00 -1.36 0.00 0.00 55.97 54.84 3ktm s LYS 178 Cb -0.13 -0.34 -0.04 0.00 -1.68 0.00 0.00 37.83 35.63 3ktm s LYS 178 CO 0.73 0.01 0.00 -0.06 -0.76 0.00 0.00 175.35 175.27 3ktm s PHE 179 N 0.28 0.76 -2.77 3.18 0.40 0.15 -1.02 117.98 118.96 3ktm s PHE 179 Ca -0.03 -1.12 0.24 0.00 -0.60 0.00 0.00 56.93 55.42 3ktm s PHE 179 Cb -0.05 -0.47 0.32 0.00 0.51 0.00 0.00 43.02 43.33 3ktm s PHE 179 CO -0.01 -0.40 1.34 0.54 0.70 0.00 0.00 175.22 177.39 3ktm n ARG 180 N -0.02 2.37 -2.88 0.44 1.74 0.15 -1.06 116.66 117.40 3ktm n ARG 180 Ca -0.10 -2.02 -0.00 0.00 -0.77 0.00 0.00 57.85 54.96 3ktm n ARG 180 Cb 0.62 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.59 3ktm n ARG 180 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ktm n GLY 181 N 1.40 0.69 3.20 -0.13 0.00 -1.08 -1.91 105.19 107.36 3ktm n GLY 181 Ca 0.16 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 3ktm n GLY 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ktm s VAL 182 N -2.20 0.05 -0.04 1.61 0.11 -0.02 -1.73 120.40 118.19 3ktm s VAL 182 Ca 0.14 -0.45 0.06 0.00 -2.93 0.00 0.00 61.98 58.81 3ktm s VAL 182 Cb -0.01 -0.54 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 3ktm s VAL 182 CO 0.02 -0.24 -0.23 -1.83 -3.33 0.00 0.00 175.10 169.48 3ktm s GLU 183 N -1.10 2.13 0.33 1.54 -1.05 0.70 -1.41 118.70 119.83 3ktm s GLU 183 Ca -0.12 -0.81 -0.05 0.00 -0.15 0.00 0.00 54.97 53.84 3ktm s GLU 183 Cb -0.05 -1.90 0.00 0.00 -0.44 0.00 0.00 34.13 31.74 3ktm s GLU 183 CO 0.03 0.40 0.48 -0.59 0.95 0.00 0.00 175.26 176.53 3ktm s PHE 184 N -0.26 0.90 -0.08 4.83 -0.71 0.05 0.82 117.98 123.53 3ktm s PHE 184 Ca 0.01 -1.18 0.01 0.00 -1.04 0.00 0.00 56.93 54.73 3ktm s PHE 184 Cb -0.11 -0.00 0.02 0.00 -1.21 0.00 0.00 43.02 41.71 3ktm s PHE 184 CO 0.02 -1.13 -0.08 0.08 -1.34 0.00 0.00 175.22 172.77 3ktm s VAL 185 N -3.19 0.94 -0.05 -2.49 1.01 0.14 -0.93 120.40 115.83 3ktm s VAL 185 Ca 0.29 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.97 3ktm s VAL 185 Cb -0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 3ktm s VAL 185 CO 0.18 0.33 -0.04 0.00 0.00 0.00 0.00 175.10 175.56 3ktm n PRO 188 N 2.33 0.65 0.22 0.00 -0.02 -1.26 0.53 135.00 137.45 3ktm n PRO 188 Ca -0.16 0.29 0.10 0.00 -2.02 0.00 0.00 63.50 61.71 3ktm n PRO 188 Cb 0.53 -2.45 0.44 0.00 -0.02 0.00 0.00 33.50 32.00 3ktm n PRO 188 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ktm h LEU 189 N -0.16 0.00 -7.00 2.45 3.38 -1.90 -3.43 115.31 108.65 3ktm h LEU 189 Ca -0.49 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.51 3ktm h LEU 189 Cb 1.32 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.91 3ktm h LEU 189 CO 0.49 0.22 0.35 0.00 0.09 0.00 0.00 178.44 179.59 3ktm s ALA 190 N -3.61 -1.75 -0.17 1.53 0.00 -1.26 -1.73 121.76 114.76 3ktm s ALA 190 Ca 0.01 0.96 0.01 0.00 0.00 0.00 0.00 51.96 52.94 3ktm s ALA 190 Cb 0.10 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.59 3ktm s ALA 190 CO 0.64 -0.61 -0.18 0.42 0.00 0.00 0.00 175.76 176.02 3ktm s ILE 191 N -2.73 2.26 -1.55 0.00 1.09 0.06 -4.73 121.20 115.60 3ktm s ILE 191 Ca -0.00 -0.88 -0.10 0.00 -1.10 0.00 0.00 60.65 58.57 3ktm s ILE 191 Cb -0.01 -1.95 0.08 0.00 -1.06 0.00 0.00 42.46 39.52 3ktm s ILE 191 CO -0.06 0.53 0.66 -0.62 -0.10 0.00 0.00 174.94 175.35 3ktm n GLU 192 N 4.46 -3.59 0.00 2.79 1.02 -1.26 -1.93 120.64 122.14 3ktm n GLU 192 Ca -0.20 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 3ktm n GLU 192 Cb 0.51 -4.91 0.00 0.00 -0.02 0.00 0.00 31.44 27.01 3ktm n GLU 192 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ktm n GLY 193 N -1.70 2.66 3.72 0.62 0.00 -1.26 -5.03 105.19 104.21 3ktm n GLY 193 Ca -0.10 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 3ktm n GLY 193 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ktm s ARG 194 N 0.00 4.51 0.49 1.61 3.03 -0.81 -4.97 118.95 122.80 3ktm s ARG 194 Ca 0.00 1.70 -0.24 0.00 2.03 0.00 0.00 55.73 59.23 3ktm s ARG 194 Cb 0.00 -3.34 -0.07 0.00 -1.03 0.00 0.00 34.95 30.52 3ktm s ARG 194 CO 0.00 -0.11 1.36 0.21 -1.13 0.00 0.00 175.30 175.63 3ktm s LYS 195 N 0.52 3.50 -0.38 3.89 2.20 -1.26 -0.76 119.74 127.46 3ktm s LYS 195 Ca 0.54 2.25 -0.01 0.00 -0.36 0.00 0.00 55.97 58.39 3ktm s LYS 195 Cb -0.28 -2.48 0.10 0.00 -1.51 0.00 0.00 37.83 33.66 3ktm s LYS 195 CO 0.31 -0.91 0.14 -1.17 -0.36 0.00 0.00 175.35 173.36 3ktm s LEU 196 N -3.05 4.94 0.38 5.43 1.98 -0.71 -4.82 118.68 122.84 3ktm s LEU 196 Ca 0.65 -1.95 0.08 0.00 -2.89 0.00 0.00 54.13 50.02 3ktm s LEU 196 Cb -0.40 -1.77 -0.04 0.00 0.66 0.00 0.00 46.19 44.64 3ktm s LEU 196 CO 0.50 -0.47 0.20 0.00 -1.89 0.00 0.00 176.35 174.69 3ktm s ALA 197 N 1.10 3.63 -0.29 5.97 0.00 -1.26 -4.82 121.76 126.10 3ktm s ALA 197 Ca 0.07 -1.94 -0.18 0.00 0.00 0.00 0.00 51.96 49.91 3ktm s ALA 197 Cb -0.21 -0.66 0.16 0.00 0.00 0.00 0.00 23.12 22.41 3ktm s ALA 197 CO -0.05 -0.09 1.09 0.00 0.00 0.00 0.00 175.76 176.72 3ktm s ALA 198 N -2.50 -2.32 -0.10 0.00 0.00 -1.26 -5.17 121.76 110.42 3ktm s ALA 198 Ca 0.41 2.06 -0.10 0.00 0.00 0.00 0.00 51.96 54.33 3ktm s ALA 198 Cb -0.00 -1.74 -0.05 0.00 0.00 0.00 0.00 23.12 21.33 3ktm s ALA 198 CO 0.24 -0.30 0.21 0.00 0.00 0.00 0.00 175.76 175.91 3ktm s ALA 199 N 0.98 3.80 0.09 0.00 0.00 -1.26 -5.09 121.76 120.29 3ktm s ALA 199 Ca -0.05 -0.53 -0.22 0.00 0.00 0.00 0.00 51.96 51.16 3ktm s ALA 199 Cb -0.04 -2.12 0.06 0.00 0.00 0.00 0.00 23.12 21.02 3ktm s ALA 199 CO -0.12 0.50 0.53 -0.48 0.00 0.00 0.00 175.76 176.19 3ktm s LEU 200 N -0.78 -0.18 -0.01 0.00 2.34 -1.26 -5.07 118.68 113.72 3ktm s LEU 200 Ca 0.16 0.05 -0.01 0.00 0.06 0.00 0.00 54.13 54.39 3ktm s LEU 200 Cb -0.13 2.25 0.00 0.00 -0.56 0.00 0.00 46.19 47.75 3ktm s LEU 200 CO 0.06 -0.82 0.02 -1.84 -1.06 0.00 0.00 176.35 172.70 3ktm n GLU 201 N 0.05 -0.24 0.00 1.48 0.28 -1.26 -5.14 120.64 115.81 3ktm n GLU 201 Ca -0.17 0.58 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 3ktm n GLU 201 Cb 0.62 -0.74 0.00 0.00 1.43 0.00 0.00 31.44 32.75 3ktm n GLU 201 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55