#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k45 s LYS 2 N 0.00 0.04 0.14 3.44 0.00 -1.26 -4.75 119.74 117.35 2k45 s LYS 2 Ca 0.00 -0.03 0.24 0.00 0.00 0.00 0.00 55.97 56.18 2k45 s LYS 2 Cb 0.00 -0.00 0.23 0.00 0.00 0.00 0.00 37.83 38.06 2k45 s LYS 2 CO 0.00 -0.05 1.23 1.25 0.00 0.00 0.00 175.35 177.78 2k45 h LEU 3 N 4.31 0.00 0.00 2.77 7.12 -1.70 -3.42 115.31 124.39 2k45 h LEU 3 Ca -0.03 -0.17 0.00 0.00 0.13 0.00 0.00 57.88 57.81 2k45 h LEU 3 Cb 1.20 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 2k45 h LEU 3 CO -0.13 0.09 0.00 0.61 -0.13 0.00 0.00 178.44 178.88 2k45 n GLY 4 N 1.29 -1.72 3.16 3.75 0.00 -1.13 -2.77 105.19 107.77 2k45 n GLY 4 Ca 0.02 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 2k45 n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k45 s LYS 5 N 0.00 0.81 -0.27 1.61 1.02 -1.24 -0.92 119.74 120.75 2k45 s LYS 5 Ca 0.00 -1.33 0.01 0.00 0.02 0.00 0.00 55.97 54.66 2k45 s LYS 5 Cb 0.00 -0.09 0.08 0.00 -0.52 0.00 0.00 37.83 37.30 2k45 s LYS 5 CO 0.00 -0.06 0.01 -0.48 -0.92 0.00 0.00 175.35 173.90 2k45 s LEU 6 N -3.03 2.86 -0.35 3.17 2.34 0.26 -1.10 118.68 122.83 2k45 s LEU 6 Ca 0.13 -1.49 -0.14 0.00 0.06 0.00 0.00 54.13 52.69 2k45 s LEU 6 Cb 0.06 -1.15 -0.01 0.00 -0.56 0.00 0.00 46.19 44.53 2k45 s LEU 6 CO -0.05 -0.32 0.30 0.00 -1.06 0.00 0.00 176.35 175.22 2k45 s GLN 7 N 1.38 3.47 0.00 1.48 0.00 -1.01 -2.15 119.66 122.83 2k45 s GLN 7 Ca 0.02 -0.58 0.00 0.00 -0.00 0.00 0.00 55.36 54.80 2k45 s GLN 7 Cb -0.18 -3.82 0.00 0.00 0.00 0.00 0.00 33.01 29.00 2k45 s GLN 7 CO -0.12 -0.51 0.00 0.98 0.00 0.00 0.00 175.29 175.64 2k45 n TYR 8 N 5.24 0.00 -3.87 9.60 9.36 -0.95 -3.62 117.16 132.92 2k45 n TYR 8 Ca -0.11 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.83 2k45 n TYR 8 Cb 0.49 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 39.04 2k45 n TYR 8 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2k45 s SER 9 N 1.99 2.72 -0.07 2.98 1.04 -1.23 -1.27 113.70 119.85 2k45 s SER 9 Ca 0.00 -0.62 0.04 0.00 0.48 0.00 0.00 55.95 55.85 2k45 s SER 9 Cb 0.00 -0.84 -0.00 0.00 0.10 0.00 0.00 66.02 65.28 2k45 s SER 9 CO 0.00 -0.20 -0.20 -0.76 0.98 0.00 0.00 173.24 173.07 2k45 s LEU 10 N 1.68 1.94 0.00 2.42 1.43 0.16 -3.51 118.68 122.81 2k45 s LEU 10 Ca 0.01 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 2k45 s LEU 10 Cb -0.15 -1.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 2k45 s LEU 10 CO -0.08 0.15 0.13 -0.90 0.23 0.00 0.00 176.35 175.89 2k45 n ASP 11 N 3.37 1.32 -4.18 2.29 5.75 0.13 0.77 116.55 126.01 2k45 n ASP 11 Ca -0.19 -3.08 -0.29 0.00 -0.01 0.00 0.00 54.79 51.22 2k45 n ASP 11 Cb 0.52 0.95 -0.17 0.00 -1.03 0.00 0.00 41.12 41.40 2k45 n ASP 11 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 2k45 s TYR 12 N -3.00 2.14 -0.25 2.11 1.13 -1.26 0.17 117.35 118.39 2k45 s TYR 12 Ca 0.19 -0.75 -0.10 0.00 -1.41 0.00 0.00 57.07 55.00 2k45 s TYR 12 Cb 0.01 -1.44 -0.05 0.00 -1.10 0.00 0.00 41.96 39.38 2k45 s TYR 12 CO 0.13 -0.28 0.16 0.34 -2.51 0.00 0.00 175.55 173.39 2k45 s ASP 13 N 0.19 6.05 0.11 -0.18 -1.08 -0.65 -4.97 116.67 116.15 2k45 s ASP 13 Ca -0.11 0.07 0.21 0.00 -0.52 0.00 0.00 52.55 52.20 2k45 s ASP 13 Cb -0.15 -2.10 -0.11 0.00 -1.46 0.00 0.00 42.92 39.10 2k45 s ASP 13 CO 0.05 0.03 0.84 2.22 0.52 0.00 0.00 175.17 178.84 2k45 n PHE 14 N 4.50 0.73 0.88 -5.34 -1.74 -1.26 -1.17 117.46 114.06 2k45 n PHE 14 Ca -0.15 0.22 0.06 0.00 -0.56 0.00 0.00 57.45 57.03 2k45 n PHE 14 Cb 0.52 -0.89 0.18 0.00 1.52 0.00 0.00 39.48 40.81 2k45 n PHE 14 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k45 n GLN 15 N -2.63 1.83 0.00 3.97 -0.00 -1.26 -1.16 117.38 118.12 2k45 n GLN 15 Ca -0.04 -1.29 0.05 0.00 -0.00 0.00 0.00 57.00 55.72 2k45 n GLN 15 Cb 0.63 -1.29 0.02 0.00 -0.00 0.00 0.00 30.24 29.60 2k45 n GLN 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2k45 n ASN 16 N 0.54 1.53 -3.60 2.61 0.23 -1.25 -5.03 115.26 110.30 2k45 n ASN 16 Ca 0.13 -1.26 -0.27 0.00 -0.53 0.00 0.00 54.58 52.65 2k45 n ASN 16 Cb 0.31 0.21 0.05 0.00 -2.08 0.00 0.00 39.78 38.27 2k45 n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k45 n ASN 17 N 0.18 -5.00 -3.90 0.53 4.05 -0.31 -4.93 115.26 105.88 2k45 n ASN 17 Ca 0.05 -0.93 -0.11 0.00 0.45 0.00 0.00 54.58 54.04 2k45 n ASN 17 Cb 0.22 -3.85 -0.12 0.00 1.23 0.00 0.00 39.78 37.27 2k45 n ASN 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2k45 s GLN 18 N -5.64 0.24 0.41 1.20 1.03 -0.32 -1.75 119.66 114.82 2k45 s GLN 18 Ca 0.41 -0.27 -0.19 0.00 0.04 0.00 0.00 55.36 55.35 2k45 s GLN 18 Cb -0.12 0.10 -0.10 0.00 0.03 0.00 0.00 33.01 32.91 2k45 s GLN 18 CO 0.83 -0.05 0.89 -0.51 -2.54 0.00 0.00 175.29 173.91 2k45 s LEU 19 N -0.81 3.95 -0.10 2.60 1.43 -0.72 -1.63 118.68 123.40 2k45 s LEU 19 Ca -0.09 1.55 0.02 0.00 -1.03 0.00 0.00 54.13 54.58 2k45 s LEU 19 Cb -0.05 -4.40 0.01 0.00 0.03 0.00 0.00 46.19 41.78 2k45 s LEU 19 CO -0.00 -0.33 -0.15 -0.22 0.23 0.00 0.00 176.35 175.87 2k45 s LEU 20 N -3.20 1.74 -0.62 1.79 1.98 0.45 -0.66 118.68 120.15 2k45 s LEU 20 Ca 0.59 -0.42 0.04 0.00 -2.89 0.00 0.00 54.13 51.46 2k45 s LEU 20 Cb -0.09 -1.07 0.16 0.00 0.66 0.00 0.00 46.19 45.85 2k45 s LEU 20 CO 0.16 0.03 0.42 -0.69 -1.89 0.00 0.00 176.35 174.38 2k45 s VAL 21 N 0.86 2.50 -1.06 1.68 1.01 -0.78 -0.69 120.40 123.91 2k45 s VAL 21 Ca -0.09 -3.83 -0.12 0.00 0.00 0.00 0.00 61.98 57.94 2k45 s VAL 21 Cb -0.15 -2.67 0.24 0.00 0.00 0.00 0.00 36.38 33.79 2k45 s VAL 21 CO 0.01 -0.98 1.11 -0.83 0.00 0.00 0.00 175.10 174.40 2k45 s GLY 22 N -0.97 2.87 0.00 4.51 0.00 -1.23 0.69 107.32 113.19 2k45 s GLY 22 Ca 0.24 -3.57 0.00 0.00 0.00 0.00 0.00 44.72 41.38 2k45 s GLY 22 CO -0.13 1.51 0.00 0.29 0.00 0.00 0.00 173.10 174.77 2k45 n ILE 23 N 3.52 0.00 0.00 0.90 -0.00 -1.06 -3.57 119.36 119.16 2k45 n ILE 23 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.99 2k45 n ILE 23 Cb 0.42 -1.06 0.00 0.00 -0.00 0.00 0.00 39.64 39.00 2k45 n ILE 23 CO 0.00 0.00 0.00 2.30 -0.00 0.00 0.00 176.55 178.85 2k45 n ILE 24 N 0.00 0.00 -3.77 7.28 -5.35 -1.24 -3.17 119.36 113.11 2k45 n ILE 24 Ca 0.00 0.05 -0.13 0.00 -0.27 0.00 0.00 62.75 62.40 2k45 n ILE 24 Cb 0.00 -1.04 -0.10 0.00 -1.74 0.00 0.00 39.64 36.77 2k45 n ILE 24 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2k45 s GLN 25 N -0.97 0.55 0.04 6.28 -0.44 -1.26 0.26 119.66 124.11 2k45 s GLN 25 Ca 0.00 0.01 0.02 0.00 -2.50 0.00 0.00 55.36 52.89 2k45 s GLN 25 Cb 0.00 0.25 -0.04 0.00 -1.64 0.00 0.00 33.01 31.58 2k45 s GLN 25 CO 0.00 -0.13 0.05 0.00 0.50 0.00 0.00 175.29 175.71 2k45 s ALA 26 N -0.81 3.45 -0.05 1.58 0.00 -1.05 -2.40 121.76 122.47 2k45 s ALA 26 Ca -0.09 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 50.91 2k45 s ALA 26 Cb -0.04 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.68 2k45 s ALA 26 CO 0.03 0.70 -0.13 0.00 0.00 0.00 0.00 175.76 176.36 2k45 s ALA 27 N -1.26 1.29 -0.86 0.00 0.00 -0.26 -3.07 121.76 117.60 2k45 s ALA 27 Ca 0.25 -0.50 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 2k45 s ALA 27 Cb -0.12 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2k45 s ALA 27 CO 0.17 0.18 0.72 0.39 0.00 0.00 0.00 175.76 177.21 2k45 n GLU 28 N 3.49 -4.78 -1.95 0.00 -0.58 -0.41 -3.62 120.64 112.80 2k45 n GLU 28 Ca -0.20 0.60 -0.30 0.00 -0.42 0.00 0.00 57.16 56.84 2k45 n GLU 28 Cb 0.53 -4.90 0.02 0.00 -0.57 0.00 0.00 31.44 26.52 2k45 n GLU 28 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k45 s LEU 29 N -5.12 3.14 0.16 -4.62 1.43 -0.79 -4.16 118.68 108.71 2k45 s LEU 29 Ca 0.03 1.26 -0.23 0.00 -1.03 0.00 0.00 54.13 54.16 2k45 s LEU 29 Cb -0.01 -4.20 -0.08 0.00 0.03 0.00 0.00 46.19 41.93 2k45 s LEU 29 CO 0.52 -1.02 0.72 -2.16 0.23 0.00 0.00 176.35 174.64 2k45 s PRO 30 N -5.21 4.42 -0.02 1.29 0.04 -1.26 -4.71 135.00 129.55 2k45 s PRO 30 Ca 0.56 1.01 -0.27 0.00 0.04 0.00 0.00 61.00 62.33 2k45 s PRO 30 Cb -0.11 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 2k45 s PRO 30 CO 0.52 0.55 0.87 0.00 0.04 0.00 0.00 177.00 178.98 2k45 s ALA 31 N -1.23 3.23 -0.24 8.56 0.00 -1.26 -4.80 121.76 126.03 2k45 s ALA 31 Ca 0.36 0.38 0.14 0.00 0.00 0.00 0.00 51.96 52.84 2k45 s ALA 31 Cb -0.21 -3.18 0.71 0.00 0.00 0.00 0.00 23.12 20.44 2k45 s ALA 31 CO 0.24 -0.17 1.66 1.47 0.00 0.00 0.00 175.76 178.95 2k45 n LEU 32 N 3.83 5.21 -3.68 0.00 -0.00 -1.26 -4.60 117.00 116.49 2k45 n LEU 32 Ca 0.03 -3.05 -0.12 0.00 -0.00 0.00 0.00 56.01 52.87 2k45 n LEU 32 Cb 0.51 -0.65 -0.06 0.00 -0.00 0.00 0.00 43.42 43.21 2k45 n LEU 32 CO 0.50 0.70 0.12 -0.62 -0.00 0.00 0.00 177.39 178.09 2k45 s ASP 33 N -1.24 -0.24 -1.09 1.45 2.15 0.13 -4.99 116.67 112.83 2k45 s ASP 33 Ca 0.51 -0.07 -0.05 0.00 0.43 0.00 0.00 52.55 53.37 2k45 s ASP 33 Cb 0.40 0.41 0.12 0.00 -0.30 0.00 0.00 42.92 43.55 2k45 s ASP 33 CO 0.13 -0.67 2.43 0.23 -0.17 0.00 0.00 175.17 177.13 2k45 n MET 34 N 0.46 4.12 0.00 4.34 2.81 -1.26 -1.51 117.12 126.09 2k45 n MET 34 Ca -0.18 -3.29 0.00 0.00 -1.81 0.00 0.00 57.70 52.42 2k45 n MET 34 Cb 0.60 -2.50 0.00 0.00 -0.71 0.00 0.00 33.22 30.61 2k45 n MET 34 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k45 n GLY 35 N 1.36 0.00 0.59 3.03 0.00 -1.26 -4.87 105.19 104.05 2k45 n GLY 35 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.60 2k45 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k45 n GLY 36 N 0.00 0.55 3.88 -0.02 0.00 -1.26 -5.03 105.19 103.31 2k45 n GLY 36 Ca 0.00 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 2k45 n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k45 s THR 37 N -2.39 4.31 -0.10 2.61 -4.23 -0.57 0.17 115.64 115.44 2k45 s THR 37 Ca 0.00 -1.27 -0.04 0.00 -1.18 0.00 0.00 61.69 59.19 2k45 s THR 37 Cb 0.00 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.38 2k45 s THR 37 CO 0.00 -0.28 0.08 -0.55 -0.54 0.00 0.00 174.62 173.33 2k45 s SER 38 N -3.95 5.85 -0.94 3.99 0.15 -1.26 -4.42 113.70 113.12 2k45 s SER 38 Ca 0.37 0.31 -0.02 0.00 0.70 0.00 0.00 55.95 57.31 2k45 s SER 38 Cb -0.08 -1.79 0.26 0.00 -1.71 0.00 0.00 66.02 62.71 2k45 s SER 38 CO 0.27 0.39 1.05 0.47 1.20 0.00 0.00 173.24 176.62 2k45 n ASP 39 N 2.00 5.04 -3.54 5.45 8.00 -1.25 -1.84 116.55 130.41 2k45 n ASP 39 Ca -0.19 -3.27 -0.37 0.00 0.71 0.00 0.00 54.79 51.67 2k45 n ASP 39 Cb 0.54 -1.10 -0.02 0.00 -0.02 0.00 0.00 41.12 40.53 2k45 n ASP 39 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2k45 n PRO 40 N 1.77 0.00 -3.64 -0.24 -0.01 -1.25 -3.07 135.00 128.56 2k45 n PRO 40 Ca 0.25 0.00 -0.07 0.00 -0.01 0.00 0.00 63.50 63.67 2k45 n PRO 40 Cb 0.37 -0.81 -0.07 0.00 -0.01 0.00 0.00 33.50 32.98 2k45 n PRO 40 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 175.50 177.01 2k45 s TYR 41 N -1.04 -0.86 -0.27 6.00 -0.85 -0.87 -2.34 117.35 117.12 2k45 s TYR 41 Ca 0.50 1.80 -0.12 0.00 -0.52 0.00 0.00 57.07 58.73 2k45 s TYR 41 Cb -0.66 0.49 -0.05 0.00 0.38 0.00 0.00 41.96 42.12 2k45 s TYR 41 CO 0.48 -0.42 0.25 0.08 -1.52 0.00 0.00 175.55 174.41 2k45 s VAL 42 N 1.22 5.27 -0.06 -3.49 1.01 -0.77 0.91 120.40 124.49 2k45 s VAL 42 Ca -0.07 0.32 -0.24 0.00 0.00 0.00 0.00 61.98 61.98 2k45 s VAL 42 Cb -0.05 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2k45 s VAL 42 CO -0.14 0.24 0.74 -0.54 0.00 0.00 0.00 175.10 175.40 2k45 s LYS 43 N 1.74 4.45 -0.15 2.72 1.02 0.33 -3.09 119.74 126.77 2k45 s LYS 43 Ca 0.10 0.96 0.00 0.00 0.02 0.00 0.00 55.97 57.05 2k45 s LYS 43 Cb -0.16 -3.45 -0.01 0.00 -0.52 0.00 0.00 37.83 33.70 2k45 s LYS 43 CO 0.10 0.04 -0.14 0.08 -0.92 0.00 0.00 175.35 174.50 2k45 s VAL 44 N 0.86 2.80 0.20 3.17 1.01 -0.33 0.01 120.40 128.12 2k45 s VAL 44 Ca 0.40 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 2k45 s VAL 44 Cb -0.18 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2k45 s VAL 44 CO 0.19 0.52 0.12 -0.36 0.00 0.00 0.00 175.10 175.57 2k45 s PHE 45 N 0.65 1.15 0.19 5.22 0.08 -0.51 -3.51 117.98 121.25 2k45 s PHE 45 Ca -0.08 -1.36 0.08 0.00 0.12 0.00 0.00 56.93 55.70 2k45 s PHE 45 Cb -0.16 -0.57 -0.04 0.00 -0.57 0.00 0.00 43.02 41.68 2k45 s PHE 45 CO 0.02 -0.61 -0.16 -1.17 -0.10 0.00 0.00 175.22 173.20 2k45 s LEU 46 N -3.16 2.51 0.27 -0.37 2.96 -1.26 -2.48 118.68 117.15 2k45 s LEU 46 Ca 0.37 -0.96 -0.29 0.00 -0.22 0.00 0.00 54.13 53.04 2k45 s LEU 46 Cb 0.07 -0.72 -0.09 0.00 0.50 0.00 0.00 46.19 45.94 2k45 s LEU 46 CO 0.11 -0.12 0.98 -0.22 -1.32 0.00 0.00 176.35 175.78 2k45 s LEU 47 N -3.06 4.57 0.00 -0.68 2.96 -0.73 -3.61 118.68 118.13 2k45 s LEU 47 Ca 0.20 2.01 0.00 0.00 -0.22 0.00 0.00 54.13 56.12 2k45 s LEU 47 Cb -0.03 -3.69 0.00 0.00 0.50 0.00 0.00 46.19 42.98 2k45 s LEU 47 CO 0.07 0.04 0.00 -2.65 -1.32 0.00 0.00 176.35 172.48 2k45 n PRO 48 N 1.24 0.00 -0.02 0.98 -0.02 -1.26 -4.09 135.00 131.82 2k45 n PRO 48 Ca -0.01 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.46 2k45 n PRO 48 Cb 0.47 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.95 2k45 n PRO 48 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k45 h ASP 49 N 0.00 0.00 -5.41 2.55 1.82 -1.98 -3.49 116.42 109.91 2k45 h ASP 49 Ca 0.00 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.34 2k45 h ASP 49 Cb 0.00 0.00 0.16 0.00 0.68 0.00 0.00 39.33 40.17 2k45 h ASP 49 CO 0.00 0.24 -0.74 1.17 -1.61 0.00 0.00 179.24 178.31 2k45 n LYS 50 N -3.05 -5.60 -0.58 0.28 0.00 -1.24 -4.88 118.16 103.09 2k45 n LYS 50 Ca -0.02 0.80 -0.06 0.00 0.00 0.00 0.00 58.31 59.03 2k45 n LYS 50 Cb 0.07 -5.65 0.14 0.00 0.00 0.00 0.00 35.03 29.60 2k45 n LYS 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2k45 n LYS 51 N -3.81 2.20 -3.40 1.64 5.02 -1.26 -4.76 118.16 113.78 2k45 n LYS 51 Ca -0.24 -1.62 -0.21 0.00 -2.02 0.00 0.00 58.31 54.22 2k45 n LYS 51 Cb 0.65 -1.73 -0.09 0.00 -0.02 0.00 0.00 35.03 33.84 2k45 n LYS 51 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2k45 s LYS 52 N -1.82 0.56 -0.73 1.97 -2.85 -1.26 -4.49 119.74 111.12 2k45 s LYS 52 Ca 0.30 -0.90 -0.22 0.00 -1.00 0.00 0.00 55.97 54.15 2k45 s LYS 52 Cb 0.24 -0.90 0.08 0.00 -2.06 0.00 0.00 37.83 35.19 2k45 s LYS 52 CO 0.07 -1.17 1.00 0.15 0.10 0.00 0.00 175.35 175.50 2k45 s LYS 53 N 1.46 3.23 0.07 1.78 3.01 -1.26 -4.18 119.74 123.85 2k45 s LYS 53 Ca 0.16 -1.07 0.06 0.00 -1.01 0.00 0.00 55.97 54.11 2k45 s LYS 53 Cb -0.17 -4.41 -0.04 0.00 -1.01 0.00 0.00 37.83 32.20 2k45 s LYS 53 CO -0.07 -1.81 -0.09 -0.06 0.51 0.00 0.00 175.35 173.83 2k45 s PHE 54 N 3.73 2.78 -0.30 3.18 0.40 -1.23 -4.98 117.98 121.56 2k45 s PHE 54 Ca 0.25 -0.13 -0.05 0.00 -0.60 0.00 0.00 56.93 56.40 2k45 s PHE 54 Cb -0.14 -1.49 0.19 0.00 0.51 0.00 0.00 43.02 42.08 2k45 s PHE 54 CO 0.05 0.40 0.77 -2.00 0.70 0.00 0.00 175.22 175.14 2k45 s GLU 55 N -1.91 0.42 -0.05 0.44 2.12 -1.23 -1.19 118.70 117.31 2k45 s GLU 55 Ca 0.20 0.72 -0.20 0.00 0.36 0.00 0.00 54.97 56.05 2k45 s GLU 55 Cb -0.11 0.40 -0.05 0.00 0.26 0.00 0.00 34.13 34.63 2k45 s GLU 55 CO 0.11 -0.49 0.57 0.95 -0.54 0.00 0.00 175.26 175.87 2k45 s THR 56 N 2.89 5.02 -0.62 -1.70 -4.23 -1.18 -4.94 115.64 110.89 2k45 s THR 56 Ca 0.13 1.18 -0.10 0.00 -1.18 0.00 0.00 61.69 61.72 2k45 s THR 56 Cb -0.13 -3.91 0.16 0.00 1.34 0.00 0.00 72.50 69.96 2k45 s THR 56 CO -0.18 0.36 0.51 -0.75 -0.54 0.00 0.00 174.62 174.03 2k45 s LYS 57 N 0.21 2.90 -0.32 3.99 2.20 -1.26 -1.85 119.74 125.61 2k45 s LYS 57 Ca 0.31 -2.15 0.01 0.00 -0.36 0.00 0.00 55.97 53.78 2k45 s LYS 57 Cb -0.17 -4.08 0.10 0.00 -1.51 0.00 0.00 37.83 32.17 2k45 s LYS 57 CO 0.15 -1.24 0.08 0.54 -0.36 0.00 0.00 175.35 174.52 2k45 s VAL 58 N 0.69 1.45 -0.50 4.02 0.11 -1.26 -5.05 120.40 119.86 2k45 s VAL 58 Ca 0.12 -1.79 0.04 0.00 -2.93 0.00 0.00 61.98 57.42 2k45 s VAL 58 Cb -0.20 -2.08 0.16 0.00 -1.53 0.00 0.00 36.38 32.72 2k45 s VAL 58 CO -0.03 -0.64 0.36 -1.00 -3.33 0.00 0.00 175.10 170.46 2k45 s HIS 59 N 1.32 2.00 -0.21 1.54 3.76 -0.99 -4.93 115.29 117.78 2k45 s HIS 59 Ca 0.10 -2.62 -0.29 0.00 -0.15 0.00 0.00 55.06 52.10 2k45 s HIS 59 Cb -0.18 -1.64 -0.01 0.00 1.11 0.00 0.00 32.58 31.86 2k45 s HIS 59 CO -0.18 -0.73 1.28 -0.98 -0.85 0.00 0.00 174.74 173.28 2k45 s ARG 60 N -0.31 4.12 -0.98 1.40 1.04 -1.26 -3.89 118.95 119.07 2k45 s ARG 60 Ca 0.27 1.53 -0.00 0.00 -1.04 0.00 0.00 55.73 56.48 2k45 s ARG 60 Cb -0.05 -3.81 0.00 0.00 -2.04 0.00 0.00 34.95 29.05 2k45 s ARG 60 CO -0.14 -0.85 0.82 1.63 -0.04 0.00 0.00 175.30 176.71 2k45 n LYS 61 N 6.86 -5.41 -3.62 3.89 4.76 -1.25 -4.99 118.16 118.39 2k45 n LYS 61 Ca 0.14 0.68 -0.03 0.00 -2.87 0.00 0.00 58.31 56.24 2k45 n LYS 61 Cb 0.45 -5.22 -0.05 0.00 -1.84 0.00 0.00 35.03 28.37 2k45 n LYS 61 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2k45 s THR 62 N -3.29 -0.51 -2.10 -0.18 -4.23 -0.77 -4.84 115.64 99.72 2k45 s THR 62 Ca 0.03 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.77 2k45 s THR 62 Cb -0.01 -1.00 0.60 0.00 1.34 0.00 0.00 72.50 73.42 2k45 s THR 62 CO 0.59 0.00 1.79 0.18 -0.54 0.00 0.00 174.62 176.64 2k45 n LEU 63 N 4.86 0.49 -3.56 4.79 7.99 -1.25 -4.28 117.00 126.03 2k45 n LEU 63 Ca -0.15 -0.19 -0.27 0.00 -0.01 0.00 0.00 56.01 55.39 2k45 n LEU 63 Cb 0.54 -0.02 -0.10 0.00 -0.11 0.00 0.00 43.42 43.73 2k45 n LEU 63 CO -0.03 0.10 -0.07 -3.20 -1.51 0.00 0.00 177.39 172.68 2k45 n ASN 64 N -0.51 2.44 -4.92 -1.43 4.05 -1.26 -1.29 115.26 112.33 2k45 n ASN 64 Ca 0.17 -3.12 -0.27 0.00 0.45 0.00 0.00 54.58 51.82 2k45 n ASN 64 Cb 0.16 -0.68 -0.02 0.00 1.23 0.00 0.00 39.78 40.46 2k45 n ASN 64 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2k45 s PRO 65 N -1.60 3.55 -0.18 1.20 0.04 -1.18 -4.95 135.00 131.88 2k45 s PRO 65 Ca 0.33 -0.20 0.01 0.00 0.04 0.00 0.00 61.00 61.17 2k45 s PRO 65 Cb 0.07 -2.70 0.04 0.00 0.04 0.00 0.00 34.50 31.94 2k45 s PRO 65 CO -0.11 0.24 -0.10 0.54 0.04 0.00 0.00 177.00 177.61 2k45 s VAL 66 N -2.10 1.53 -0.03 -0.36 0.11 -1.26 -2.54 120.40 115.74 2k45 s VAL 66 Ca 0.41 -0.86 -0.23 0.00 -2.93 0.00 0.00 61.98 58.37 2k45 s VAL 66 Cb -0.10 -1.59 -0.24 0.00 -1.53 0.00 0.00 36.38 32.92 2k45 s VAL 66 CO 0.32 0.22 1.05 -0.26 -3.33 0.00 0.00 175.10 173.09 2k45 h PHE 67 N 8.02 0.39 -7.04 1.54 -1.00 0.31 -3.47 116.94 115.69 2k45 h PHE 67 Ca -0.29 -0.21 -0.61 0.00 2.81 0.00 0.00 57.97 59.66 2k45 h PHE 67 Cb 1.11 -0.04 -0.14 0.00 3.61 0.00 0.00 35.95 40.49 2k45 h PHE 67 CO 0.49 1.03 -0.99 0.27 -1.61 0.00 0.00 178.31 177.50 2k45 n ASN 68 N -4.39 -0.97 -3.97 2.17 6.94 0.18 -4.90 115.26 110.32 2k45 n ASN 68 Ca -0.10 -1.29 -0.29 0.00 -0.02 0.00 0.00 54.58 52.88 2k45 n ASN 68 Cb 0.57 -1.61 -0.17 0.00 -2.36 0.00 0.00 39.78 36.22 2k45 n ASN 68 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2k45 s GLU 69 N -7.43 1.97 -0.28 -3.83 2.56 -1.19 -4.92 118.70 105.59 2k45 s GLU 69 Ca 0.19 -0.43 -0.29 0.00 0.00 0.00 0.00 54.97 54.44 2k45 s GLU 69 Cb -0.11 -1.89 0.01 0.00 2.00 0.00 0.00 34.13 34.15 2k45 s GLU 69 CO 0.99 -0.25 1.04 1.14 -0.56 0.00 0.00 175.26 177.62 2k45 s GLN 70 N 1.58 4.15 -0.54 4.30 1.03 -1.25 -2.55 119.66 126.39 2k45 s GLN 70 Ca 0.05 1.17 -0.16 0.00 0.04 0.00 0.00 55.36 56.46 2k45 s GLN 70 Cb -0.13 -3.69 0.12 0.00 0.03 0.00 0.00 33.01 29.35 2k45 s GLN 70 CO -0.10 -0.76 0.50 -0.06 -2.54 0.00 0.00 175.29 172.33 2k45 s PHE 71 N 3.40 3.24 0.09 9.60 0.08 0.22 -4.86 117.98 129.74 2k45 s PHE 71 Ca 0.44 -1.25 -0.34 0.00 0.12 0.00 0.00 56.93 55.90 2k45 s PHE 71 Cb -0.14 -3.75 -0.13 0.00 -0.57 0.00 0.00 43.02 38.43 2k45 s PHE 71 CO 0.11 -1.01 1.65 2.41 -0.10 0.00 0.00 175.22 178.28 2k45 n THR 72 N 5.25 0.16 -3.82 0.64 -1.04 -1.26 -1.87 114.28 112.34 2k45 n THR 72 Ca -0.14 -0.03 -0.36 0.00 -2.04 0.00 0.00 64.05 61.48 2k45 n THR 72 Cb 0.40 -1.60 -0.13 0.00 -1.82 0.00 0.00 70.33 67.19 2k45 n THR 72 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2k45 s PHE 73 N 1.78 3.10 -1.39 -1.42 0.40 0.16 -4.85 117.98 115.76 2k45 s PHE 73 Ca 0.83 -1.04 -0.15 0.00 -0.60 0.00 0.00 56.93 55.97 2k45 s PHE 73 Cb -0.70 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 40.65 2k45 s PHE 73 CO 0.42 -0.59 2.25 1.17 0.70 0.00 0.00 175.22 179.17 2k45 n LYS 74 N 4.82 2.76 -3.70 0.44 3.00 -1.26 -1.76 118.16 122.45 2k45 n LYS 74 Ca -0.15 -2.48 -0.15 0.00 -0.00 0.00 0.00 58.31 55.53 2k45 n LYS 74 Cb 0.48 -3.21 -0.15 0.00 0.00 0.00 0.00 35.03 32.16 2k45 n LYS 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2k45 s VAL 75 N 3.33 -0.19 0.96 3.15 0.11 -1.26 -4.52 120.40 121.98 2k45 s VAL 75 Ca 0.50 0.27 -0.11 0.00 -2.93 0.00 0.00 61.98 59.70 2k45 s VAL 75 Cb 0.14 -0.31 0.13 0.00 -1.53 0.00 0.00 36.38 34.81 2k45 s VAL 75 CO -0.06 0.11 0.85 -2.65 -3.33 0.00 0.00 175.10 170.02 2k45 n PRO 76 N 4.85 -0.66 0.03 1.54 -0.02 -0.72 -2.81 135.00 137.21 2k45 n PRO 76 Ca -0.14 -0.14 -0.17 0.00 -2.02 0.00 0.00 63.50 61.02 2k45 n PRO 76 Cb 0.51 -2.16 -0.08 0.00 -0.02 0.00 0.00 33.50 31.75 2k45 n PRO 76 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2k45 h TYR 77 N -1.88 0.94 -0.07 6.00 -0.00 -1.93 0.52 116.97 120.55 2k45 h TYR 77 Ca -0.45 -0.48 0.01 0.00 -0.00 0.00 0.00 58.73 57.81 2k45 h TYR 77 Cb 1.28 -0.12 -0.00 0.00 -0.00 0.00 0.00 36.73 37.89 2k45 h TYR 77 CO 0.43 1.31 0.05 0.66 -0.00 0.00 0.00 178.16 180.60 2k45 h SER 78 N 0.39 0.04 1.30 0.10 4.64 -1.98 -1.59 113.55 116.45 2k45 h SER 78 Ca -0.09 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 2k45 h SER 78 Cb 1.58 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.66 2k45 h SER 78 CO 0.18 0.03 -0.71 -0.08 -0.87 0.00 0.00 176.83 175.38 2k45 h GLU 79 N 0.04 0.00 -0.26 4.77 4.57 -1.75 -3.33 114.58 118.63 2k45 h GLU 79 Ca 0.03 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2k45 h GLU 79 Cb 0.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2k45 h GLU 79 CO -0.00 0.04 0.08 1.25 -1.18 0.00 0.00 179.01 179.20 2k45 h LEU 80 N 0.00 0.33 -0.92 1.64 6.46 0.11 -2.82 115.31 120.10 2k45 h LEU 80 Ca -0.01 -0.03 0.22 0.00 -0.12 0.00 0.00 57.88 57.94 2k45 h LEU 80 Cb 1.05 -0.08 -0.17 0.00 -0.73 0.00 0.00 40.66 40.73 2k45 h LEU 80 CO 0.01 0.32 -0.05 1.23 -0.62 0.00 0.00 178.44 179.33 2k45 h GLY 81 N 0.54 1.00 1.58 3.75 0.00 -1.67 0.15 103.07 108.42 2k45 h GLY 81 Ca 0.09 0.19 -0.16 0.00 0.00 0.00 0.00 47.33 47.44 2k45 h GLY 81 CO -0.01 -0.42 -0.62 -1.33 0.00 0.00 0.00 176.54 174.17 2k45 h GLY 82 N 0.03 0.47 -2.53 4.60 0.00 -1.79 -3.34 103.07 100.51 2k45 h GLY 82 Ca 0.52 -0.59 -0.50 0.00 0.00 0.00 0.00 47.33 46.75 2k45 h GLY 82 CO -0.87 0.53 0.10 0.54 0.00 0.00 0.00 176.54 176.84 2k45 s LYS 83 N -3.82 3.78 -0.08 4.80 -0.14 0.52 -4.84 119.74 119.96 2k45 s LYS 83 Ca -0.06 0.44 0.04 0.00 -1.36 0.00 0.00 55.97 55.03 2k45 s LYS 83 Cb 0.11 -2.41 -0.00 0.00 -1.68 0.00 0.00 37.83 33.85 2k45 s LYS 83 CO 0.83 -0.01 -0.21 0.95 -0.76 0.00 0.00 175.35 176.15 2k45 s THR 84 N -2.34 1.80 -0.17 2.17 -4.23 -1.26 -1.49 115.64 110.13 2k45 s THR 84 Ca 0.51 -0.89 -0.26 0.00 -1.18 0.00 0.00 61.69 59.87 2k45 s THR 84 Cb -0.10 -1.56 -0.01 0.00 1.34 0.00 0.00 72.50 72.17 2k45 s THR 84 CO 0.31 0.50 0.88 -0.76 -0.54 0.00 0.00 174.62 175.02 2k45 s LEU 85 N 0.25 4.18 -0.07 4.79 1.02 -0.22 -1.77 118.68 126.85 2k45 s LEU 85 Ca -0.13 1.26 0.05 0.00 0.02 0.00 0.00 54.13 55.32 2k45 s LEU 85 Cb -0.16 -3.32 -0.00 0.00 0.02 0.00 0.00 46.19 42.73 2k45 s LEU 85 CO 0.06 -0.44 -0.22 0.68 0.02 0.00 0.00 176.35 176.45 2k45 s VAL 86 N 2.25 1.88 -0.01 -1.59 -7.23 -1.03 -0.52 120.40 114.14 2k45 s VAL 86 Ca 0.41 -0.94 0.03 0.00 -1.81 0.00 0.00 61.98 59.67 2k45 s VAL 86 Cb -0.17 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 2k45 s VAL 86 CO 0.13 0.52 -0.11 -0.32 -0.31 0.00 0.00 175.10 175.01 2k45 s MET 87 N 0.13 0.91 -0.17 4.82 0.00 -0.76 -1.42 119.30 122.82 2k45 s MET 87 Ca -0.11 -0.38 -0.03 0.00 0.00 0.00 0.00 55.69 55.17 2k45 s MET 87 Cb -0.15 -0.88 0.06 0.00 0.00 0.00 0.00 34.83 33.86 2k45 s MET 87 CO 0.05 0.21 0.05 0.00 0.00 0.00 0.00 175.02 175.34 2k45 s ALA 88 N -0.17 0.75 -0.17 4.11 0.00 0.10 -0.40 121.76 125.98 2k45 s ALA 88 Ca 0.03 -0.48 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 2k45 s ALA 88 Cb -0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 2k45 s ALA 88 CO -0.00 -1.08 1.27 0.14 0.00 0.00 0.00 175.76 176.09 2k45 s VAL 89 N 1.98 4.26 -0.02 0.00 -7.23 0.11 0.12 120.40 119.62 2k45 s VAL 89 Ca 0.01 1.51 0.08 0.00 -1.81 0.00 0.00 61.98 61.77 2k45 s VAL 89 Cb -0.16 -4.00 -0.02 0.00 0.56 0.00 0.00 36.38 32.76 2k45 s VAL 89 CO -0.08 -0.16 -0.25 -0.47 -0.31 0.00 0.00 175.10 173.83 2k45 s TYR 90 N 3.58 2.22 -0.13 2.82 6.14 0.26 -1.46 117.35 130.78 2k45 s TYR 90 Ca 0.55 -0.42 -0.15 0.00 0.64 0.00 0.00 57.07 57.69 2k45 s TYR 90 Cb -0.22 -1.43 -0.05 0.00 0.42 0.00 0.00 41.96 40.69 2k45 s TYR 90 CO 0.15 -0.04 0.37 0.34 0.64 0.00 0.00 175.55 177.01 2k45 s ASP 91 N -0.57 6.56 -0.57 4.32 2.15 -1.21 -2.06 116.67 125.29 2k45 s ASP 91 Ca 0.09 0.67 -0.25 0.00 0.43 0.00 0.00 52.55 53.49 2k45 s ASP 91 Cb -0.10 -2.23 0.04 0.00 -0.30 0.00 0.00 42.92 40.34 2k45 s ASP 91 CO -0.01 0.09 1.03 0.12 -0.17 0.00 0.00 175.17 176.23 2k45 s PHE 92 N 0.35 2.71 -2.18 -5.34 5.36 -1.17 -4.53 117.98 113.18 2k45 s PHE 92 Ca 0.21 0.06 0.18 0.00 -0.96 0.00 0.00 56.93 56.42 2k45 s PHE 92 Cb -0.14 -4.23 0.65 0.00 -0.34 0.00 0.00 43.02 38.96 2k45 s PHE 92 CO 0.07 -1.47 1.48 -3.47 -1.46 0.00 0.00 175.22 170.37 2k45 n ASP 93 N 7.83 1.54 0.00 6.13 -0.08 -1.26 -4.39 116.55 126.32 2k45 n ASP 93 Ca 0.03 -1.76 0.00 0.00 -1.51 0.00 0.00 54.79 51.55 2k45 n ASP 93 Cb 0.48 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.81 2k45 n ASP 93 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k45 n ARG 94 N 0.26 0.00 0.08 -0.67 1.74 -1.26 -3.27 116.66 113.54 2k45 n ARG 94 Ca 0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 2k45 n ARG 94 Cb 0.29 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 2k45 n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k45 n PHE 95 N 0.00 -1.70 -1.67 -1.55 7.35 -1.26 -5.12 117.46 113.51 2k45 n PHE 95 Ca 0.00 0.33 -0.30 0.00 -0.76 0.00 0.00 57.45 56.73 2k45 n PHE 95 Cb 0.00 0.88 0.22 0.00 0.35 0.00 0.00 39.48 40.93 2k45 n PHE 95 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2k45 n SER 96 N -2.97 -0.54 -4.66 -2.13 3.41 -1.20 -4.95 113.62 100.58 2k45 n SER 96 Ca 0.00 -1.39 -0.43 0.00 -0.26 0.00 0.00 58.87 56.79 2k45 n SER 96 Cb 0.00 -1.02 -0.03 0.00 -0.26 0.00 0.00 64.21 62.91 2k45 n SER 96 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2k45 s LYS 97 N -5.80 4.14 -0.27 4.33 1.02 -1.26 -4.69 119.74 117.22 2k45 s LYS 97 Ca 0.74 1.96 -0.29 0.00 0.02 0.00 0.00 55.97 58.40 2k45 s LYS 97 Cb -0.03 -3.93 0.00 0.00 -0.52 0.00 0.00 37.83 33.35 2k45 s LYS 97 CO 0.54 -0.87 1.20 -3.38 -0.92 0.00 0.00 175.35 171.92 2k45 s HIS 98 N 4.04 2.92 -0.00 3.18 -3.43 -1.26 -4.92 115.29 115.82 2k45 s HIS 98 Ca 0.67 1.05 -0.20 0.00 -0.80 0.00 0.00 55.06 55.78 2k45 s HIS 98 Cb -0.29 -3.69 -0.05 0.00 -1.43 0.00 0.00 32.58 27.12 2k45 s HIS 98 CO 0.25 -1.31 0.59 -0.51 -2.00 0.00 0.00 174.74 171.76 2k45 s ASP 99 N 2.12 6.98 0.13 7.38 1.01 -1.26 -4.95 116.67 128.07 2k45 s ASP 99 Ca 0.51 1.16 -0.31 0.00 0.71 0.00 0.00 52.55 54.63 2k45 s ASP 99 Cb -0.16 -2.36 -0.10 0.00 1.01 0.00 0.00 42.92 41.31 2k45 s ASP 99 CO 0.17 0.11 1.70 -0.51 0.21 0.00 0.00 175.17 176.85 2k45 s ILE 100 N -0.22 2.65 0.01 0.77 2.07 -1.26 -3.36 121.20 121.86 2k45 s ILE 100 Ca 0.31 0.28 -0.21 0.00 -1.41 0.00 0.00 60.65 59.62 2k45 s ILE 100 Cb -0.18 -3.18 -0.18 0.00 0.13 0.00 0.00 42.46 39.05 2k45 s ILE 100 CO 0.17 0.01 1.22 0.16 -1.91 0.00 0.00 174.94 174.59 2k45 h ILE 101 N 4.45 1.41 -2.27 2.00 3.07 -1.66 -3.40 117.51 121.11 2k45 h ILE 101 Ca -0.44 -1.62 0.15 0.00 1.55 0.00 0.00 64.86 64.50 2k45 h ILE 101 Cb 1.21 2.23 -0.03 0.00 -0.27 0.00 0.00 36.82 39.96 2k45 h ILE 101 CO 0.94 0.46 0.50 0.61 -1.05 0.00 0.00 178.15 179.61 2k45 n GLY 102 N 0.57 0.68 3.62 0.16 0.00 -0.54 -3.60 105.19 106.10 2k45 n GLY 102 Ca -0.08 -1.08 -0.04 0.00 0.00 0.00 0.00 46.02 44.82 2k45 n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k45 s GLU 103 N -2.03 0.72 0.02 1.61 -1.05 0.17 0.05 118.70 118.19 2k45 s GLU 103 Ca 0.19 -0.34 -0.07 0.00 -0.15 0.00 0.00 54.97 54.59 2k45 s GLU 103 Cb -0.02 0.28 -0.00 0.00 -0.44 0.00 0.00 34.13 33.95 2k45 s GLU 103 CO 0.04 -0.32 0.14 -0.59 0.95 0.00 0.00 175.26 175.47 2k45 s PHE 104 N -2.86 0.10 -0.11 4.83 -0.12 0.47 -0.82 117.98 119.48 2k45 s PHE 104 Ca 0.10 -0.30 0.02 0.00 -0.05 0.00 0.00 56.93 56.70 2k45 s PHE 104 Cb 0.00 -0.08 -0.01 0.00 -0.63 0.00 0.00 43.02 42.31 2k45 s PHE 104 CO -0.04 -0.35 -0.20 0.15 -0.05 0.00 0.00 175.22 174.73 2k45 s LYS 105 N -2.13 3.18 -0.33 1.99 3.01 -1.26 -1.83 119.74 122.38 2k45 s LYS 105 Ca -0.09 -0.80 -0.02 0.00 -1.01 0.00 0.00 55.97 54.05 2k45 s LYS 105 Cb -0.04 -2.43 0.12 0.00 -1.01 0.00 0.00 37.83 34.47 2k45 s LYS 105 CO -0.02 0.19 0.18 0.54 0.51 0.00 0.00 175.35 176.75 2k45 s VAL 106 N 0.34 0.07 -0.04 3.17 0.11 0.32 -5.03 120.40 119.35 2k45 s VAL 106 Ca -0.16 -1.33 -0.30 0.00 -2.93 0.00 0.00 61.98 57.27 2k45 s VAL 106 Cb -0.17 -1.07 -0.04 0.00 -1.53 0.00 0.00 36.38 33.57 2k45 s VAL 106 CO 0.08 -0.88 1.19 -2.16 -3.33 0.00 0.00 175.10 169.99 2k45 s PRO 107 N 1.49 4.37 0.54 1.54 0.04 -1.26 -1.06 135.00 140.66 2k45 s PRO 107 Ca 0.14 1.67 0.26 0.00 0.04 0.00 0.00 61.00 63.11 2k45 s PRO 107 Cb -0.20 -3.52 1.54 0.00 0.04 0.00 0.00 34.50 32.36 2k45 s PRO 107 CO -0.15 -0.40 2.14 0.52 0.04 0.00 0.00 177.00 179.16 2k45 h MET 108 N 7.32 0.00 -0.09 4.56 2.86 -1.49 -0.24 114.93 127.86 2k45 h MET 108 Ca -0.35 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 2k45 h MET 108 Cb 1.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 2k45 h MET 108 CO 0.86 0.07 0.03 -0.91 1.06 0.00 0.00 176.91 178.02 2k45 h ASN 109 N 0.00 0.11 0.31 1.22 4.21 -1.69 -1.86 115.58 117.87 2k45 h ASN 109 Ca -0.00 -0.01 -0.20 0.00 1.21 0.00 0.00 56.30 57.30 2k45 h ASN 109 Cb 0.17 -0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 37.31 2k45 h ASN 109 CO 0.01 0.11 -1.88 0.41 -1.29 0.00 0.00 177.43 174.79 2k45 n THR 110 N -4.49 1.01 -3.21 2.81 -1.04 -0.17 -4.91 114.28 104.28 2k45 n THR 110 Ca -0.02 -0.71 -0.40 0.00 -2.04 0.00 0.00 64.05 60.88 2k45 n THR 110 Cb 0.11 -0.50 -0.07 0.00 -1.82 0.00 0.00 70.33 68.05 2k45 n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k45 s VAL 111 N -2.90 5.05 -0.48 12.58 1.01 -0.70 -5.02 120.40 129.94 2k45 s VAL 111 Ca -0.06 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 62.51 2k45 s VAL 111 Cb 0.09 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.64 2k45 s VAL 111 CO 0.84 0.05 1.15 -0.62 0.00 0.00 0.00 175.10 176.52 2k45 s ASP 112 N 1.55 6.62 -1.15 3.32 2.15 -1.26 -4.80 116.67 123.10 2k45 s ASP 112 Ca 0.22 0.48 -0.05 0.00 0.43 0.00 0.00 52.55 53.63 2k45 s ASP 112 Cb -0.16 -2.55 0.25 0.00 -0.30 0.00 0.00 42.92 40.17 2k45 s ASP 112 CO 0.09 -1.27 1.78 0.49 -0.17 0.00 0.00 175.17 176.09 2k45 n PHE 113 N 7.90 2.55 -0.05 -5.34 3.72 -1.26 -4.69 117.46 120.29 2k45 n PHE 113 Ca 0.12 -2.65 -0.10 0.00 -0.05 0.00 0.00 57.45 54.77 2k45 n PHE 113 Cb 0.49 -1.48 -0.09 0.00 -0.94 0.00 0.00 39.48 37.46 2k45 n PHE 113 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2k45 h GLY 114 N 5.74 -0.02 0.00 1.37 0.00 -2.00 -3.47 103.07 104.69 2k45 h GLY 114 Ca 0.39 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2k45 h GLY 114 CO 1.39 -0.01 0.00 1.57 0.00 0.00 0.00 176.54 179.49 2k45 n HIS 115 N -4.69 0.00 -5.10 5.60 -0.00 -1.26 -4.99 115.22 104.77 2k45 n HIS 115 Ca -0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.34 2k45 n HIS 115 Cb 0.34 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.16 2k45 n HIS 115 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2k45 s VAL 116 N 1.99 1.87 -0.53 3.57 0.11 -1.26 -4.05 120.40 122.10 2k45 s VAL 116 Ca 0.00 -0.92 -0.21 0.00 -2.93 0.00 0.00 61.98 57.92 2k45 s VAL 116 Cb 0.00 -1.63 0.05 0.00 -1.53 0.00 0.00 36.38 33.27 2k45 s VAL 116 CO 0.00 0.52 0.77 -0.89 -3.33 0.00 0.00 175.10 172.17 2k45 s THR 117 N 0.36 4.65 -0.26 5.04 2.01 0.23 -4.90 115.64 122.77 2k45 s THR 117 Ca -0.17 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 2k45 s THR 117 Cb -0.17 -4.41 0.03 0.00 0.01 0.00 0.00 72.50 67.95 2k45 s THR 117 CO 0.08 -0.96 -0.03 -1.61 -0.69 0.00 0.00 174.62 171.41 2k45 s GLU 118 N 3.24 2.82 0.16 4.92 2.02 -1.26 0.40 118.70 130.99 2k45 s GLU 118 Ca 0.22 -1.00 -0.20 0.00 0.02 0.00 0.00 54.97 54.00 2k45 s GLU 118 Cb -0.16 -3.08 0.05 0.00 0.10 0.00 0.00 34.13 31.04 2k45 s GLU 118 CO 0.15 -0.44 0.54 -1.83 0.02 0.00 0.00 175.26 173.70 2k45 s GLU 119 N 1.34 1.25 -0.50 1.61 -1.05 -0.40 -4.98 118.70 115.97 2k45 s GLU 119 Ca -0.00 -0.59 -0.22 0.00 -0.15 0.00 0.00 54.97 54.00 2k45 s GLU 119 Cb -0.17 0.55 0.04 0.00 -0.44 0.00 0.00 34.13 34.11 2k45 s GLU 119 CO -0.03 -0.53 0.80 -1.58 0.95 0.00 0.00 175.26 174.87 2k45 s TRP 120 N -3.78 2.93 -0.07 4.83 0.23 -1.26 -2.23 118.94 119.59 2k45 s TRP 120 Ca 0.03 -0.08 0.01 0.00 -2.03 0.00 0.00 56.10 54.02 2k45 s TRP 120 Cb -0.00 -3.77 -0.03 0.00 0.03 0.00 0.00 33.47 29.70 2k45 s TRP 120 CO -0.11 -1.13 -0.08 0.50 0.96 0.00 0.00 176.95 177.09 2k45 s ARG 121 N 3.36 2.75 -0.13 4.98 6.06 -0.91 -4.96 118.95 130.10 2k45 s ARG 121 Ca 0.26 -0.57 -0.16 0.00 -2.50 0.00 0.00 55.73 52.75 2k45 s ARG 121 Cb -0.14 -2.57 -0.04 0.00 0.06 0.00 0.00 34.95 32.26 2k45 s ARG 121 CO 0.19 0.63 0.40 0.34 -2.50 0.00 0.00 175.30 174.36 2k45 s ASP 122 N -0.73 6.59 -0.29 -2.12 -1.08 -1.26 0.92 116.67 118.70 2k45 s ASP 122 Ca 0.11 0.70 -0.19 0.00 -0.52 0.00 0.00 52.55 52.65 2k45 s ASP 122 Cb -0.11 -2.24 -0.02 0.00 -1.46 0.00 0.00 42.92 39.09 2k45 s ASP 122 CO 0.01 0.06 0.58 -0.76 0.52 0.00 0.00 175.17 175.59 2k45 s LEU 123 N 0.47 4.13 -0.11 -1.34 1.02 -0.10 -4.58 118.68 118.16 2k45 s LEU 123 Ca 0.22 0.44 -0.05 0.00 0.02 0.00 0.00 54.13 54.76 2k45 s LEU 123 Cb -0.14 -2.75 -0.04 0.00 0.02 0.00 0.00 46.19 43.28 2k45 s LEU 123 CO 0.08 -0.41 0.09 0.00 0.02 0.00 0.00 176.35 176.13 2k45 s GLN 124 N 2.48 3.32 -0.18 1.70 0.00 0.00 -2.09 119.66 124.90 2k45 s GLN 124 Ca 0.23 -0.24 -0.29 0.00 -0.00 0.00 0.00 55.36 55.06 2k45 s GLN 124 Cb -0.15 -3.05 -0.05 0.00 0.00 0.00 0.00 33.01 29.76 2k45 s GLN 124 CO 0.11 0.71 1.93 -1.12 0.00 0.00 0.00 175.29 176.92 2k45 s SER 125 N -0.86 5.99 -0.12 12.60 0.01 -1.25 0.42 113.70 130.48 2k45 s SER 125 Ca 0.13 1.89 -0.08 0.00 1.31 0.00 0.00 55.95 59.21 2k45 s SER 125 Cb -0.12 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 2k45 s SER 125 CO 0.03 -1.54 0.16 0.00 0.41 0.00 0.00 173.24 172.31 2k45 s ALA 126 N 6.42 3.84 -1.02 1.44 0.00 -1.24 -4.61 121.76 126.59 2k45 s ALA 126 Ca 0.87 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 2k45 s ALA 126 Cb -0.31 -2.03 0.26 0.00 0.00 0.00 0.00 23.12 21.04 2k45 s ALA 126 CO 0.35 0.55 1.02 -1.91 0.00 0.00 0.00 175.76 175.77 2k45 n GLU 127 N 2.16 3.28 0.00 0.00 2.13 -1.26 -4.63 120.64 122.31 2k45 n GLU 127 Ca -0.19 -4.48 0.04 0.00 0.66 0.00 0.00 57.16 53.19 2k45 n GLU 127 Cb 0.54 -2.49 0.03 0.00 0.27 0.00 0.00 31.44 29.80 2k45 n GLU 127 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89