#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k45 n LYS 2 N 0.00 0.00 0.14 3.44 0.00 -1.26 -4.79 118.16 115.69 2k45 n LYS 2 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 2k45 n LYS 2 Cb 0.00 0.00 0.25 0.00 -0.00 0.00 0.00 35.03 35.28 2k45 n LYS 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2k45 h LEU 3 N 0.00 0.00 0.00 -5.58 5.85 -1.27 -3.40 115.31 110.91 2k45 h LEU 3 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2k45 h LEU 3 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2k45 h LEU 3 CO 0.00 0.02 0.00 0.61 -0.34 0.00 0.00 178.44 178.73 2k45 n GLY 4 N 1.23 -1.29 3.15 3.75 0.00 -0.81 -2.83 105.19 108.39 2k45 n GLY 4 Ca 0.04 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.07 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 0.80 -0.24 1.61 1.02 -1.23 0.22 119.74 121.92 2k45 s LYS 5 Ca 0.00 -1.24 -0.02 0.00 0.02 0.00 0.00 55.97 54.73 2k45 s LYS 5 Cb 0.00 0.26 0.07 0.00 -0.52 0.00 0.00 37.83 37.64 2k45 s LYS 5 CO 0.00 -0.21 0.05 -0.48 -0.92 0.00 0.00 175.35 173.79 2k45 s LEU 6 N -2.95 1.55 -0.40 3.17 2.34 0.24 -0.81 118.68 121.82 2k45 s LEU 6 Ca 0.13 -1.11 -0.16 0.00 0.06 0.00 0.00 54.13 53.05 2k45 s LEU 6 Cb 0.07 -0.70 0.01 0.00 -0.56 0.00 0.00 46.19 45.01 2k45 s LEU 6 CO -0.06 -0.34 0.37 -1.10 -1.06 0.00 0.00 176.35 174.16 2k45 s GLN 7 N 1.77 3.14 0.00 1.48 1.11 -0.95 -1.99 119.66 124.21 2k45 s GLN 7 Ca 0.02 -0.80 0.00 0.00 0.01 0.00 0.00 55.36 54.59 2k45 s GLN 7 Cb -0.17 -3.94 0.00 0.00 -1.01 0.00 0.00 33.01 27.89 2k45 s GLN 7 CO -0.14 -0.75 0.00 0.98 0.01 0.00 0.00 175.29 175.39 2k45 n TYR 8 N 5.39 0.00 -3.91 0.91 9.36 -0.97 -2.93 117.16 125.00 2k45 n TYR 8 Ca -0.09 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.89 2k45 n TYR 8 Cb 0.48 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 39.02 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 2.00 1.78 -0.08 2.98 1.04 -1.13 -1.01 113.70 119.28 2k45 s SER 9 Ca 0.00 -0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.27 2k45 s SER 9 Cb 0.00 -0.63 -0.01 0.00 0.10 0.00 0.00 66.02 65.47 2k45 s SER 9 CO 0.00 -0.14 -0.20 -0.76 0.98 0.00 0.00 173.24 173.13 2k45 s LEU 10 N 1.68 2.38 0.31 2.42 1.43 0.21 -2.93 118.68 124.18 2k45 s LEU 10 Ca 0.02 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2k45 s LEU 10 Cb -0.13 -1.48 -0.06 0.00 0.03 0.00 0.00 46.19 44.56 2k45 s LEU 10 CO -0.05 0.23 0.07 -0.62 0.23 0.00 0.00 176.35 176.21 2k45 s ASP 11 N -0.09 2.00 -0.13 2.29 2.15 0.63 0.16 116.67 123.70 2k45 s ASP 11 Ca -0.04 -1.38 0.02 0.00 0.43 0.00 0.00 52.55 51.57 2k45 s ASP 11 Cb -0.14 0.00 0.01 0.00 -0.30 0.00 0.00 42.92 42.49 2k45 s ASP 11 CO 0.04 -0.65 -0.17 -0.72 -0.17 0.00 0.00 175.17 173.50 2k45 s TYR 12 N -3.44 2.23 -0.33 -5.34 1.13 -1.26 0.17 117.35 110.51 2k45 s TYR 12 Ca 0.37 -1.12 -0.22 0.00 -1.41 0.00 0.00 57.07 54.69 2k45 s TYR 12 Cb 0.08 -1.58 -0.00 0.00 -1.10 0.00 0.00 41.96 39.36 2k45 s TYR 12 CO 0.15 -0.56 0.70 0.34 -2.51 0.00 0.00 175.55 173.67 2k45 s ASP 13 N 1.04 6.53 0.06 -0.18 -1.08 -0.53 -4.95 116.67 117.56 2k45 s ASP 13 Ca -0.04 0.41 0.19 0.00 -0.52 0.00 0.00 52.55 52.59 2k45 s ASP 13 Cb -0.15 -2.36 -0.14 0.00 -1.46 0.00 0.00 42.92 38.81 2k45 s ASP 13 CO -0.04 -0.59 0.76 2.22 0.52 0.00 0.00 175.17 178.04 2k45 n PHE 14 N 6.11 0.74 0.49 -5.34 1.16 -1.26 -1.11 117.46 118.25 2k45 n PHE 14 Ca 0.01 0.24 0.06 0.00 -1.87 0.00 0.00 57.45 55.89 2k45 n PHE 14 Cb 0.48 -0.96 0.20 0.00 -1.61 0.00 0.00 39.48 37.60 2k45 n PHE 14 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2k45 n GLN 15 N -2.72 2.24 0.00 3.97 0.00 -1.26 -1.13 117.38 118.48 2k45 n GLN 15 Ca -0.08 -1.61 0.05 0.00 0.00 0.00 0.00 57.00 55.36 2k45 n GLN 15 Cb 0.75 -1.45 0.03 0.00 0.00 0.00 0.00 30.24 29.57 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 0.70 1.68 -3.57 2.61 0.23 -1.24 -5.03 115.26 110.62 2k45 n ASN 16 Ca 0.15 -1.34 -0.25 0.00 -0.53 0.00 0.00 54.58 52.61 2k45 n ASN 16 Cb 0.45 0.13 0.05 0.00 -2.08 0.00 0.00 39.78 38.33 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 0.35 -4.59 -4.08 0.53 4.05 -0.28 -4.94 115.26 106.29 2k45 n ASN 17 Ca 0.06 -0.89 -0.22 0.00 0.45 0.00 0.00 54.58 53.98 2k45 n ASN 17 Cb 0.25 -4.03 -0.15 0.00 1.23 0.00 0.00 39.78 37.07 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 -5.56 1.08 0.31 1.20 1.03 -0.27 -2.26 119.66 115.20 2k45 s GLN 18 Ca 0.35 -0.45 -0.14 0.00 0.04 0.00 0.00 55.36 55.16 2k45 s GLN 18 Cb -0.10 -1.03 -0.09 0.00 0.03 0.00 0.00 33.01 31.83 2k45 s GLN 18 CO 0.82 0.26 0.71 -0.51 -2.54 0.00 0.00 175.29 174.03 2k45 s LEU 19 N -0.23 4.07 -0.06 2.60 1.43 -1.10 -1.45 118.68 123.93 2k45 s LEU 19 Ca 0.04 1.23 0.02 0.00 -1.03 0.00 0.00 54.13 54.39 2k45 s LEU 19 Cb -0.06 -4.03 0.01 0.00 0.03 0.00 0.00 46.19 42.15 2k45 s LEU 19 CO -0.00 -0.20 -0.11 -0.22 0.23 0.00 0.00 176.35 176.05 2k45 s LEU 20 N -3.00 1.62 -0.56 1.79 2.96 0.44 -0.43 118.68 121.49 2k45 s LEU 20 Ca 0.53 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.22 2k45 s LEU 20 Cb -0.10 -0.75 0.14 0.00 0.50 0.00 0.00 46.19 45.98 2k45 s LEU 20 CO 0.18 0.03 0.33 0.54 -1.32 0.00 0.00 176.35 176.11 2k45 s VAL 21 N 0.64 2.47 -0.95 1.68 0.11 -0.97 -0.27 120.40 123.11 2k45 s VAL 21 Ca -0.13 -3.48 -0.14 0.00 -2.93 0.00 0.00 61.98 55.29 2k45 s VAL 21 Cb -0.15 -2.68 0.20 0.00 -1.53 0.00 0.00 36.38 32.22 2k45 s VAL 21 CO 0.03 -0.88 1.01 -0.83 -3.33 0.00 0.00 175.10 171.09 2k45 s GLY 22 N -0.53 2.54 0.00 6.54 0.00 -1.15 -1.80 107.32 112.91 2k45 s GLY 22 Ca 0.20 -3.27 0.00 0.00 0.00 0.00 0.00 44.72 41.65 2k45 s GLY 22 CO -0.05 1.57 0.00 0.29 0.00 0.00 0.00 173.10 174.91 2k45 n ILE 23 N 4.23 0.00 0.00 0.90 -0.00 -0.99 -2.85 119.36 120.65 2k45 n ILE 23 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.96 2k45 n ILE 23 Cb 0.46 -1.44 0.00 0.00 -0.00 0.00 0.00 39.64 38.66 2k45 n ILE 23 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 2k45 n ILE 24 N 0.00 0.00 -3.46 7.28 5.41 -1.15 -2.95 119.36 124.49 2k45 n ILE 24 Ca 0.00 0.07 -0.14 0.00 1.00 0.00 0.00 62.75 63.68 2k45 n ILE 24 Cb 0.00 -0.97 -0.04 0.00 -0.71 0.00 0.00 39.64 37.93 2k45 n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k45 s GLN 25 N -0.74 1.18 0.05 0.38 1.03 -1.26 0.10 119.66 120.40 2k45 s GLN 25 Ca 0.00 -0.17 0.02 0.00 0.04 0.00 0.00 55.36 55.25 2k45 s GLN 25 Cb 0.00 0.55 -0.04 0.00 0.03 0.00 0.00 33.01 33.55 2k45 s GLN 25 CO 0.00 -0.46 0.06 0.00 -2.54 0.00 0.00 175.29 172.35 2k45 s ALA 26 N -2.69 3.51 -0.08 2.60 0.00 -1.03 -2.24 121.76 121.82 2k45 s ALA 26 Ca -0.04 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2k45 s ALA 26 Cb -0.01 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.69 2k45 s ALA 26 CO -0.04 0.72 -0.14 0.00 0.00 0.00 0.00 175.76 176.30 2k45 s ALA 27 N -1.29 1.48 -0.85 0.00 0.00 0.01 -2.77 121.76 118.34 2k45 s ALA 27 Ca 0.26 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 2k45 s ALA 27 Cb -0.12 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 2k45 s ALA 27 CO 0.18 0.03 0.71 0.39 0.00 0.00 0.00 175.76 177.08 2k45 n GLU 28 N 3.99 -4.43 -3.53 0.00 1.02 0.94 -3.56 120.64 115.06 2k45 n GLU 28 Ca -0.21 0.61 -0.37 0.00 -0.02 0.00 0.00 57.16 57.17 2k45 n GLU 28 Cb 0.52 -4.89 -0.06 0.00 -0.02 0.00 0.00 31.44 26.98 2k45 n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k45 s LEU 29 N -5.09 4.37 0.30 -4.62 1.43 0.23 -4.17 118.68 111.13 2k45 s LEU 29 Ca 0.04 0.75 -0.24 0.00 -1.03 0.00 0.00 54.13 53.64 2k45 s LEU 29 Cb -0.00 -2.48 -0.16 0.00 0.03 0.00 0.00 46.19 43.58 2k45 s LEU 29 CO 0.53 0.22 0.29 -2.65 0.23 0.00 0.00 176.35 174.97 2k45 n PRO 30 N 2.62 0.00 -3.22 1.29 -0.02 -1.26 -4.54 135.00 129.87 2k45 n PRO 30 Ca -0.13 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 60.96 2k45 n PRO 30 Cb 0.52 -0.98 -0.06 0.00 -0.02 0.00 0.00 33.50 32.96 2k45 n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k45 s ALA 31 N -1.33 3.51 -0.21 3.55 0.00 -1.26 -4.50 121.76 121.52 2k45 s ALA 31 Ca 0.60 -0.28 0.12 0.00 0.00 0.00 0.00 51.96 52.40 2k45 s ALA 31 Cb -0.76 -2.82 0.43 0.00 0.00 0.00 0.00 23.12 19.97 2k45 s ALA 31 CO 0.59 -0.33 1.20 1.28 0.00 0.00 0.00 175.76 178.50 2k45 n LEU 32 N 4.50 3.04 -4.12 0.00 4.77 -0.94 -4.82 117.00 119.43 2k45 n LEU 32 Ca -0.04 -3.90 -0.08 0.00 -0.03 0.00 0.00 56.01 51.96 2k45 n LEU 32 Cb 0.51 -0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 2k45 n LEU 32 CO 0.43 1.48 -0.37 -0.62 -1.33 0.00 0.00 177.39 176.98 2k45 s ASP 33 N -3.23 0.71 -1.57 -1.43 -1.08 -0.75 -4.92 116.67 104.40 2k45 s ASP 33 Ca 0.40 -1.00 -0.11 0.00 -0.52 0.00 0.00 52.55 51.33 2k45 s ASP 33 Cb 0.38 0.16 -0.06 0.00 -1.46 0.00 0.00 42.92 41.94 2k45 s ASP 33 CO -0.05 -0.55 2.77 0.23 0.52 0.00 0.00 175.17 178.09 2k45 n MET 34 N 0.07 3.46 -0.09 4.34 2.81 -1.26 -2.26 117.12 124.19 2k45 n MET 34 Ca -0.13 -2.28 0.00 0.00 -1.81 0.00 0.00 57.70 53.48 2k45 n MET 34 Cb 0.61 -2.91 0.00 0.00 -0.71 0.00 0.00 33.22 30.21 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 3.71 0.24 3.83 3.03 0.00 -1.26 -4.95 105.19 109.79 2k45 n GLY 35 Ca 0.72 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.51 3.30 -0.02 0.00 -0.96 -4.98 105.19 102.02 2k45 n GLY 36 Ca 0.00 0.21 -0.20 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.30 0.06 0.20 2.61 -4.23 -1.25 -4.82 115.64 104.92 2k45 s THR 37 Ca 0.65 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.24 2k45 s THR 37 Cb -0.31 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.00 2k45 s THR 37 CO 0.80 0.00 -0.15 -0.55 -0.54 0.00 0.00 174.62 174.18 2k45 s SER 38 N -3.38 2.63 -0.83 3.99 0.15 -1.22 -1.82 113.70 113.22 2k45 s SER 38 Ca 0.39 -1.00 0.02 0.00 0.70 0.00 0.00 55.95 56.05 2k45 s SER 38 Cb 0.03 -0.15 0.27 0.00 -1.71 0.00 0.00 66.02 64.47 2k45 s SER 38 CO 0.25 -0.15 1.06 0.47 1.20 0.00 0.00 173.24 176.07 2k45 n ASP 39 N -0.32 4.90 -4.42 5.45 9.92 -1.25 -0.91 116.55 129.92 2k45 n ASP 39 Ca -0.08 -3.43 -0.36 0.00 -0.53 0.00 0.00 54.79 50.39 2k45 n ASP 39 Cb 0.60 -0.93 0.07 0.00 -0.64 0.00 0.00 41.12 40.22 2k45 n ASP 39 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2k45 n PRO 40 N 1.08 0.15 -3.65 -0.24 -0.04 -1.22 -2.25 135.00 128.83 2k45 n PRO 40 Ca 0.28 0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.75 2k45 n PRO 40 Cb 0.38 -1.74 -0.08 0.00 -0.04 0.00 0.00 33.50 32.01 2k45 n PRO 40 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2k45 s TYR 41 N -2.02 -0.97 -0.40 0.54 -0.85 -0.76 -2.38 117.35 110.51 2k45 s TYR 41 Ca 0.62 1.96 -0.14 0.00 -0.52 0.00 0.00 57.07 58.98 2k45 s TYR 41 Cb -0.32 0.55 0.02 0.00 0.38 0.00 0.00 41.96 42.60 2k45 s TYR 41 CO 0.62 -0.49 0.28 0.54 -1.52 0.00 0.00 175.55 174.98 2k45 s VAL 42 N 1.55 5.13 -0.17 -3.49 0.11 -1.19 -0.57 120.40 121.77 2k45 s VAL 42 Ca -0.10 -0.68 -0.06 0.00 -2.93 0.00 0.00 61.98 58.21 2k45 s VAL 42 Cb -0.06 -3.85 -0.04 0.00 -1.53 0.00 0.00 36.38 30.90 2k45 s VAL 42 CO -0.18 -0.29 0.04 -1.59 -3.33 0.00 0.00 175.10 169.75 2k45 s LYS 43 N 1.66 3.87 -0.15 1.54 -2.85 -0.02 -3.68 119.74 120.11 2k45 s LYS 43 Ca 0.04 -0.38 -0.03 0.00 -1.00 0.00 0.00 55.97 54.60 2k45 s LYS 43 Cb -0.19 -3.13 0.05 0.00 -2.06 0.00 0.00 37.83 32.50 2k45 s LYS 43 CO 0.09 0.29 0.05 0.08 0.10 0.00 0.00 175.35 175.96 2k45 s VAL 44 N 0.30 0.22 0.23 1.79 1.01 -1.26 0.38 120.40 123.08 2k45 s VAL 44 Ca 0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 2k45 s VAL 44 Cb -0.13 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2k45 s VAL 44 CO 0.01 -0.12 0.28 0.72 0.00 0.00 0.00 175.10 175.99 2k45 s PHE 45 N 2.01 0.93 0.52 5.22 -0.71 0.11 -3.67 117.98 122.38 2k45 s PHE 45 Ca 0.02 -1.18 0.01 0.00 -1.04 0.00 0.00 56.93 54.74 2k45 s PHE 45 Cb -0.15 -0.29 -0.01 0.00 -1.21 0.00 0.00 43.02 41.36 2k45 s PHE 45 CO -0.07 -0.80 0.02 -0.51 -1.34 0.00 0.00 175.22 172.51 2k45 s LEU 46 N -3.13 2.27 0.00 -1.99 1.43 0.64 -0.80 118.68 117.09 2k45 s LEU 46 Ca 0.33 -1.66 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 2k45 s LEU 46 Cb 0.04 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.52 2k45 s LEU 46 CO 0.12 -0.89 0.00 0.18 0.23 0.00 0.00 176.35 175.99 2k45 n LEU 47 N -1.30 0.00 0.00 1.79 4.77 -1.26 -2.29 117.00 118.71 2k45 n LEU 47 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2k45 n LEU 47 Cb 0.67 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 2k45 n LEU 47 CO 0.37 -0.93 0.34 -2.65 -1.33 0.00 0.00 177.39 173.19 2k45 n PRO 48 N -1.41 0.00 0.25 3.23 -0.02 -1.26 0.70 135.00 136.49 2k45 n PRO 48 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.62 2k45 n PRO 48 Cb 0.00 -1.55 0.77 0.00 -0.02 0.00 0.00 33.50 32.70 2k45 n PRO 48 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2k45 h ASP 49 N 0.00 0.00 0.00 2.55 5.19 -1.97 -3.44 116.42 118.76 2k45 h ASP 49 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k45 h ASP 49 Cb 0.69 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.20 2k45 h ASP 49 CO 0.00 0.00 0.00 1.17 -3.12 0.00 0.00 179.24 177.29 2k45 n LYS 50 N -2.58 0.00 -0.27 3.56 3.00 0.22 -4.57 118.16 117.52 2k45 n LYS 50 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.25 2k45 n LYS 50 Cb 0.18 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.23 2k45 n LYS 50 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2k45 n LYS 51 N 0.00 1.20 -3.56 1.64 -0.00 0.12 0.23 118.16 117.80 2k45 n LYS 51 Ca 0.00 -0.46 -0.28 0.00 -0.00 0.00 0.00 58.31 57.57 2k45 n LYS 51 Cb 0.00 -1.18 -0.11 0.00 -0.00 0.00 0.00 35.03 33.74 2k45 n LYS 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2k45 s LYS 52 N -0.51 1.16 0.10 -1.58 0.00 -1.26 -4.78 119.74 112.86 2k45 s LYS 52 Ca 0.09 -2.10 -0.21 0.00 0.00 0.00 0.00 55.97 53.74 2k45 s LYS 52 Cb 0.07 -1.92 -0.07 0.00 0.00 0.00 0.00 37.83 35.92 2k45 s LYS 52 CO 0.01 -1.28 0.63 0.21 0.00 0.00 0.00 175.35 174.92 2k45 s LYS 53 N 0.12 4.31 0.62 1.78 2.20 -1.24 -4.44 119.74 123.09 2k45 s LYS 53 Ca 0.25 0.86 -0.09 0.00 -0.36 0.00 0.00 55.97 56.63 2k45 s LYS 53 Cb -0.10 -3.24 -0.00 0.00 -1.51 0.00 0.00 37.83 32.98 2k45 s LYS 53 CO -0.10 0.62 0.98 -0.06 -0.36 0.00 0.00 175.35 176.43 2k45 s PHE 54 N -1.13 3.37 -0.11 4.03 0.08 -1.26 -4.69 117.98 118.27 2k45 s PHE 54 Ca 0.31 0.91 -0.09 0.00 0.12 0.00 0.00 56.93 58.18 2k45 s PHE 54 Cb -0.21 -2.81 0.03 0.00 -0.57 0.00 0.00 43.02 39.47 2k45 s PHE 54 CO 0.21 -0.87 0.28 -1.83 -0.10 0.00 0.00 175.22 172.91 2k45 s GLU 55 N -5.13 0.32 0.11 0.44 -1.05 -1.26 -4.68 118.70 107.44 2k45 s GLU 55 Ca 0.55 0.43 -0.22 0.00 -0.15 0.00 0.00 54.97 55.57 2k45 s GLU 55 Cb -0.11 0.12 -0.07 0.00 -0.44 0.00 0.00 34.13 33.63 2k45 s GLU 55 CO 0.49 -0.06 0.68 0.95 0.95 0.00 0.00 175.26 178.26 2k45 s THR 56 N 0.34 4.58 -0.75 1.83 -4.23 -1.24 -4.93 115.64 111.25 2k45 s THR 56 Ca -0.02 1.46 -0.07 0.00 -1.18 0.00 0.00 61.69 61.88 2k45 s THR 56 Cb -0.03 -4.02 0.19 0.00 1.34 0.00 0.00 72.50 69.98 2k45 s THR 56 CO -0.01 0.52 0.62 -1.59 -0.54 0.00 0.00 174.62 173.62 2k45 s LYS 57 N -1.00 3.08 -0.32 3.99 0.00 -1.26 -3.17 119.74 121.06 2k45 s LYS 57 Ca 0.33 -2.60 0.02 0.00 0.00 0.00 0.00 55.97 53.71 2k45 s LYS 57 Cb -0.21 -4.05 0.10 0.00 0.00 0.00 0.00 37.83 33.67 2k45 s LYS 57 CO 0.22 -1.23 0.07 0.14 0.00 0.00 0.00 175.35 174.55 2k45 s VAL 58 N -0.15 1.56 -0.51 1.79 -7.23 -1.26 -5.05 120.40 109.55 2k45 s VAL 58 Ca 0.19 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.56 2k45 s VAL 58 Cb -0.15 -2.15 0.16 0.00 0.56 0.00 0.00 36.38 34.81 2k45 s VAL 58 CO -0.06 -0.61 0.37 -1.00 -0.31 0.00 0.00 175.10 173.49 2k45 s HIS 59 N 1.27 2.03 -0.17 2.82 3.76 -1.00 -4.95 115.29 119.05 2k45 s HIS 59 Ca 0.10 -2.65 -0.29 0.00 -0.15 0.00 0.00 55.06 52.06 2k45 s HIS 59 Cb -0.18 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.84 2k45 s HIS 59 CO -0.16 -0.73 1.24 1.03 -0.85 0.00 0.00 174.74 175.27 2k45 s ARG 60 N -0.37 4.24 -1.07 1.40 1.81 -1.26 -3.40 118.95 120.30 2k45 s ARG 60 Ca 0.27 1.63 -0.01 0.00 -1.72 0.00 0.00 55.73 55.91 2k45 s ARG 60 Cb -0.04 -3.75 -0.01 0.00 -0.45 0.00 0.00 34.95 30.70 2k45 s ARG 60 CO -0.15 -0.69 0.90 1.63 -0.68 0.00 0.00 175.30 176.30 2k45 n LYS 61 N 6.55 -5.47 -3.73 3.54 4.76 -1.13 -5.00 118.16 117.67 2k45 n LYS 61 Ca 0.14 0.77 -0.12 0.00 -2.87 0.00 0.00 58.31 56.23 2k45 n LYS 61 Cb 0.45 -5.54 -0.12 0.00 -1.84 0.00 0.00 35.03 27.98 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 -3.33 -0.02 -1.10 -0.18 -4.23 -0.09 -4.81 115.64 101.88 2k45 s THR 62 Ca 0.06 0.08 0.29 0.00 -1.18 0.00 0.00 61.69 60.93 2k45 s THR 62 Cb -0.01 -0.46 0.26 0.00 1.34 0.00 0.00 72.50 73.63 2k45 s THR 62 CO 0.66 0.03 1.87 0.18 -0.54 0.00 0.00 174.62 176.83 2k45 n LEU 63 N 3.77 0.10 -3.37 4.79 4.32 -1.26 -3.39 117.00 121.94 2k45 n LEU 63 Ca -0.20 0.37 -0.26 0.00 -0.02 0.00 0.00 56.01 55.90 2k45 n LEU 63 Cb 0.55 -0.42 -0.09 0.00 -1.62 0.00 0.00 43.42 41.85 2k45 n LEU 63 CO 0.13 0.02 -0.25 -3.20 -1.22 0.00 0.00 177.39 172.88 2k45 n ASN 64 N -1.44 0.49 -4.92 -1.43 4.05 -1.26 0.78 115.26 111.53 2k45 n ASN 64 Ca 0.08 -2.67 -0.26 0.00 0.45 0.00 0.00 54.58 52.18 2k45 n ASN 64 Cb 0.32 -0.62 0.01 0.00 1.23 0.00 0.00 39.78 40.73 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 -0.77 3.29 -0.12 1.20 0.04 -1.12 -4.90 135.00 132.62 2k45 s PRO 65 Ca 0.33 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.39 2k45 s PRO 65 Cb 0.09 -2.39 0.02 0.00 0.04 0.00 0.00 34.50 32.26 2k45 s PRO 65 CO -0.15 -0.33 -0.10 0.14 0.04 0.00 0.00 177.00 176.60 2k45 s VAL 66 N -2.76 1.18 -0.13 -0.36 -7.23 -1.26 -2.46 120.40 107.37 2k45 s VAL 66 Ca 0.49 -0.39 -0.24 0.00 -1.81 0.00 0.00 61.98 60.02 2k45 s VAL 66 Cb -0.10 -1.16 -0.21 0.00 0.56 0.00 0.00 36.38 35.46 2k45 s VAL 66 CO 0.43 0.39 0.63 -0.26 -0.31 0.00 0.00 175.10 175.99 2k45 h PHE 67 N 8.04 0.00 -7.00 2.82 -1.00 0.00 -3.47 116.94 116.33 2k45 h PHE 67 Ca -0.32 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 59.87 2k45 h PHE 67 Cb 1.14 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.59 2k45 h PHE 67 CO 0.48 0.83 -0.96 0.27 -1.61 0.00 0.00 178.31 177.32 2k45 n ASN 68 N -4.64 -1.69 -3.70 2.17 0.23 0.29 -4.90 115.26 103.01 2k45 n ASN 68 Ca -0.09 -1.25 -0.22 0.00 -0.53 0.00 0.00 54.58 52.49 2k45 n ASN 68 Cb 0.40 -1.52 -0.18 0.00 -2.08 0.00 0.00 39.78 36.40 2k45 n ASN 68 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2k45 s GLU 69 N -7.33 0.21 -0.36 -3.83 2.12 -1.15 -4.91 118.70 103.45 2k45 s GLU 69 Ca 0.26 0.19 -0.29 0.00 0.36 0.00 0.00 54.97 55.49 2k45 s GLU 69 Cb -0.15 -0.91 0.02 0.00 0.26 0.00 0.00 34.13 33.35 2k45 s GLU 69 CO 0.95 -0.38 1.10 -0.65 -0.54 0.00 0.00 175.26 175.74 2k45 s GLN 70 N 2.08 3.98 -0.35 4.30 -1.52 -1.26 -2.34 119.66 124.55 2k45 s GLN 70 Ca 0.04 0.96 0.00 0.00 -1.95 0.00 0.00 55.36 54.41 2k45 s GLN 70 Cb -0.13 -3.78 0.09 0.00 -0.22 0.00 0.00 33.01 28.97 2k45 s GLN 70 CO -0.05 -1.03 0.08 -0.06 -0.25 0.00 0.00 175.29 173.99 2k45 s PHE 71 N 3.88 3.55 -0.38 0.91 0.08 -0.75 -4.90 117.98 120.37 2k45 s PHE 71 Ca 0.46 -2.47 -0.39 0.00 0.12 0.00 0.00 56.93 54.65 2k45 s PHE 71 Cb -0.11 -2.78 -0.15 0.00 -0.57 0.00 0.00 43.02 39.41 2k45 s PHE 71 CO 0.20 -0.92 2.04 2.41 -0.10 0.00 0.00 175.22 178.84 2k45 n THR 72 N 4.48 0.16 -4.01 0.64 -1.04 -1.26 -2.28 114.28 110.97 2k45 n THR 72 Ca -0.04 -0.13 -0.31 0.00 -2.04 0.00 0.00 64.05 61.54 2k45 n THR 72 Cb 0.42 -1.18 -0.15 0.00 -1.82 0.00 0.00 70.33 67.60 2k45 n THR 72 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2k45 s PHE 73 N 5.80 3.70 -0.56 -1.42 -0.71 0.43 -4.20 117.98 121.02 2k45 s PHE 73 Ca 1.09 -3.02 -0.24 0.00 -1.04 0.00 0.00 56.93 53.72 2k45 s PHE 73 Cb -1.11 -2.92 0.04 0.00 -1.21 0.00 0.00 43.02 37.82 2k45 s PHE 73 CO 0.59 -0.93 0.96 -1.59 -1.34 0.00 0.00 175.22 172.91 2k45 s LYS 74 N 0.77 3.33 -0.03 1.99 0.00 -1.26 -2.70 119.74 121.85 2k45 s LYS 74 Ca 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 55.97 55.83 2k45 s LYS 74 Cb -0.20 -4.06 0.03 0.00 0.00 0.00 0.00 37.83 33.61 2k45 s LYS 74 CO -0.07 -1.50 0.04 0.54 0.00 0.00 0.00 175.35 174.36 2k45 s VAL 75 N 4.00 -0.08 0.58 1.79 0.11 -1.26 -4.49 120.40 121.05 2k45 s VAL 75 Ca 0.31 0.30 -0.19 0.00 -2.93 0.00 0.00 61.98 59.47 2k45 s VAL 75 Cb -0.12 -0.11 -0.06 0.00 -1.53 0.00 0.00 36.38 34.55 2k45 s VAL 75 CO 0.19 0.13 0.89 -2.65 -3.33 0.00 0.00 175.10 170.33 2k45 n PRO 76 N 4.65 0.88 -0.09 1.54 -0.02 -0.96 -3.33 135.00 137.68 2k45 n PRO 76 Ca -0.18 0.34 -0.08 0.00 -2.02 0.00 0.00 63.50 61.57 2k45 n PRO 76 Cb 0.50 -2.07 0.09 0.00 -0.02 0.00 0.00 33.50 31.99 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 0.56 0.88 -0.25 6.00 -0.00 -1.93 0.65 116.97 122.88 2k45 h TYR 77 Ca -0.48 -0.20 0.00 0.00 -0.00 0.00 0.00 58.73 58.05 2k45 h TYR 77 Cb 1.37 -0.21 -0.01 0.00 -0.00 0.00 0.00 36.73 37.88 2k45 h TYR 77 CO 0.37 0.92 0.15 0.66 -0.00 0.00 0.00 178.16 180.27 2k45 h SER 78 N 0.67 0.29 1.24 0.10 4.64 -1.97 -2.27 113.55 116.25 2k45 h SER 78 Ca 0.09 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 2k45 h SER 78 Cb 0.74 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2k45 h SER 78 CO 0.06 0.22 -0.77 -0.33 -0.87 0.00 0.00 176.83 175.14 2k45 h GLU 79 N 0.33 0.00 -0.33 4.77 5.08 -1.16 -3.33 114.58 119.94 2k45 h GLU 79 Ca 0.09 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2k45 h GLU 79 Cb -0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2k45 h GLU 79 CO -0.02 0.04 0.22 1.25 -1.00 0.00 0.00 179.01 179.51 2k45 h LEU 80 N 0.00 0.31 -0.78 1.33 6.46 0.80 -1.33 115.31 122.09 2k45 h LEU 80 Ca -0.01 -0.01 0.17 0.00 -0.12 0.00 0.00 57.88 57.91 2k45 h LEU 80 Cb 1.06 -0.07 -0.14 0.00 -0.73 0.00 0.00 40.66 40.78 2k45 h LEU 80 CO 0.01 0.22 -0.09 1.23 -0.62 0.00 0.00 178.44 179.18 2k45 h GLY 81 N 0.36 0.73 1.82 3.75 0.00 -1.68 0.56 103.07 108.62 2k45 h GLY 81 Ca 0.13 0.19 -0.11 0.00 0.00 0.00 0.00 47.33 47.53 2k45 h GLY 81 CO -0.03 -0.31 -0.47 -1.33 0.00 0.00 0.00 176.54 174.40 2k45 h GLY 82 N 0.04 0.21 -2.30 4.60 0.00 -1.51 -3.36 103.07 100.75 2k45 h GLY 82 Ca 0.41 -0.22 -0.48 0.00 0.00 0.00 0.00 47.33 47.04 2k45 h GLY 82 CO -0.75 0.20 0.41 0.54 0.00 0.00 0.00 176.54 176.94 2k45 s LYS 83 N -4.02 3.79 -0.15 4.80 3.01 0.19 -4.95 119.74 122.41 2k45 s LYS 83 Ca -0.04 1.49 0.00 0.00 -1.01 0.00 0.00 55.97 56.42 2k45 s LYS 83 Cb 0.13 -2.21 -0.00 0.00 -1.01 0.00 0.00 37.83 34.74 2k45 s LYS 83 CO 0.77 -0.47 -0.15 0.95 0.51 0.00 0.00 175.35 176.97 2k45 s THR 84 N -1.82 2.74 -0.14 2.17 -4.23 -1.26 -1.66 115.64 111.43 2k45 s THR 84 Ca 0.66 -0.75 -0.21 0.00 -1.18 0.00 0.00 61.69 60.21 2k45 s THR 84 Cb -0.20 -2.15 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 2k45 s THR 84 CO 0.25 0.52 0.61 -0.22 -0.54 0.00 0.00 174.62 175.23 2k45 s LEU 85 N 0.72 4.22 -0.06 4.79 0.20 -0.46 -4.34 118.68 123.75 2k45 s LEU 85 Ca -0.07 0.92 0.05 0.00 0.69 0.00 0.00 54.13 55.71 2k45 s LEU 85 Cb -0.16 -2.89 -0.00 0.00 -0.43 0.00 0.00 46.19 42.72 2k45 s LEU 85 CO 0.01 -0.16 -0.20 0.68 -0.29 0.00 0.00 176.35 176.39 2k45 s VAL 86 N 1.30 1.66 -0.05 1.68 -7.23 0.02 -0.97 120.40 116.81 2k45 s VAL 86 Ca 0.30 -0.83 0.04 0.00 -1.81 0.00 0.00 61.98 59.69 2k45 s VAL 86 Cb -0.16 -1.43 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 2k45 s VAL 86 CO 0.12 0.47 -0.17 -0.04 -0.31 0.00 0.00 175.10 175.17 2k45 s MET 87 N 0.10 2.48 -0.21 4.82 1.00 0.55 0.09 119.30 128.13 2k45 s MET 87 Ca -0.07 -0.75 -0.03 0.00 0.00 0.00 0.00 55.69 54.84 2k45 s MET 87 Cb -0.14 -2.32 0.07 0.00 0.00 0.00 0.00 34.83 32.44 2k45 s MET 87 CO 0.04 0.58 0.06 0.00 0.00 0.00 0.00 175.02 175.69 2k45 s ALA 88 N -0.62 0.91 -0.38 3.03 0.00 0.16 -0.53 121.76 124.34 2k45 s ALA 88 Ca 0.09 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 51.07 2k45 s ALA 88 Cb -0.11 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.82 2k45 s ALA 88 CO 0.01 -1.25 0.89 0.08 0.00 0.00 0.00 175.76 175.49 2k45 s VAL 89 N 1.91 4.60 -0.04 0.00 1.01 0.33 -0.84 120.40 127.38 2k45 s VAL 89 Ca 0.01 1.06 0.04 0.00 0.00 0.00 0.00 61.98 63.09 2k45 s VAL 89 Cb -0.17 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 2k45 s VAL 89 CO -0.11 -0.55 -0.16 -0.47 0.00 0.00 0.00 175.10 173.81 2k45 s TYR 90 N 3.42 2.66 -0.28 5.22 6.14 0.26 -1.82 117.35 132.96 2k45 s TYR 90 Ca 0.36 -0.19 -0.18 0.00 0.64 0.00 0.00 57.07 57.71 2k45 s TYR 90 Cb -0.12 -1.60 -0.02 0.00 0.42 0.00 0.00 41.96 40.64 2k45 s TYR 90 CO 0.19 0.18 0.50 0.34 0.64 0.00 0.00 175.55 177.40 2k45 s ASP 91 N -0.81 6.39 -0.79 4.32 -1.08 -1.25 -1.82 116.67 121.62 2k45 s ASP 91 Ca 0.12 0.40 -0.23 0.00 -0.52 0.00 0.00 52.55 52.32 2k45 s ASP 91 Cb -0.11 -2.27 0.07 0.00 -1.46 0.00 0.00 42.92 39.15 2k45 s ASP 91 CO 0.01 -0.32 1.15 0.12 0.52 0.00 0.00 175.17 176.66 2k45 s PHE 92 N 2.31 2.65 -0.22 -5.34 5.36 -0.96 -4.65 117.98 117.13 2k45 s PHE 92 Ca 0.20 -0.66 0.15 0.00 -0.96 0.00 0.00 56.93 55.66 2k45 s PHE 92 Cb -0.16 -4.44 0.65 0.00 -0.34 0.00 0.00 43.02 38.74 2k45 s PHE 92 CO 0.10 -1.77 1.58 -0.25 -1.46 0.00 0.00 175.22 173.43 2k45 n ASP 93 N 8.06 4.55 0.00 6.13 8.00 -1.26 -4.59 116.55 137.43 2k45 n ASP 93 Ca 0.10 -3.06 0.00 0.00 0.71 0.00 0.00 54.79 52.54 2k45 n ASP 93 Cb 0.48 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 2k45 n ASP 93 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k45 n ARG 94 N -0.13 0.00 0.00 -1.24 1.74 -1.26 -4.29 116.66 111.47 2k45 n ARG 94 Ca 0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 2k45 n ARG 94 Cb 1.06 -4.31 0.00 0.00 -1.02 0.00 0.00 32.46 28.20 2k45 n ARG 94 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2k45 n PHE 95 N -2.00 -0.01 -2.51 -1.55 3.72 -1.26 -5.12 117.46 108.73 2k45 n PHE 95 Ca 0.00 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.15 2k45 n PHE 95 Cb 0.00 0.02 0.03 0.00 -0.94 0.00 0.00 39.48 38.59 2k45 n PHE 95 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2k45 s SER 96 N 0.88 5.55 -0.40 4.37 1.04 -1.26 -4.96 113.70 118.92 2k45 s SER 96 Ca 0.00 0.56 -0.29 0.00 0.48 0.00 0.00 55.95 56.71 2k45 s SER 96 Cb 0.00 -1.57 0.00 0.00 0.10 0.00 0.00 66.02 64.55 2k45 s SER 96 CO 0.00 -1.04 1.54 -0.54 0.98 0.00 0.00 173.24 174.17 2k45 s LYS 97 N -4.91 3.47 0.19 4.02 1.02 -1.26 -4.76 119.74 117.51 2k45 s LYS 97 Ca 0.54 1.05 -0.19 0.00 0.02 0.00 0.00 55.97 57.38 2k45 s LYS 97 Cb -0.10 -4.09 -0.08 0.00 -0.52 0.00 0.00 37.83 33.04 2k45 s LYS 97 CO 0.43 -1.70 0.69 -1.01 -0.92 0.00 0.00 175.35 172.85 2k45 s HIS 98 N 5.97 3.68 0.28 3.18 3.76 -1.26 -5.03 115.29 125.87 2k45 s HIS 98 Ca 0.66 1.35 -0.29 0.00 -0.15 0.00 0.00 55.06 56.64 2k45 s HIS 98 Cb -0.16 -2.59 -0.10 0.00 1.11 0.00 0.00 32.58 30.85 2k45 s HIS 98 CO 0.32 0.39 1.24 -0.51 -0.85 0.00 0.00 174.74 175.33 2k45 s ASP 99 N -1.57 6.96 0.16 1.40 1.11 -1.26 -4.76 116.67 118.71 2k45 s ASP 99 Ca 0.40 2.49 -0.31 0.00 0.18 0.00 0.00 52.55 55.31 2k45 s ASP 99 Cb -0.17 -2.63 -0.11 0.00 1.07 0.00 0.00 42.92 41.07 2k45 s ASP 99 CO 0.21 -0.41 1.78 -0.51 1.18 0.00 0.00 175.17 177.42 2k45 s ILE 100 N -0.85 2.31 0.09 0.77 2.07 -1.26 -3.95 121.20 120.37 2k45 s ILE 100 Ca 0.49 0.04 -0.15 0.00 -1.41 0.00 0.00 60.65 59.62 2k45 s ILE 100 Cb -0.37 -3.03 -0.11 0.00 0.13 0.00 0.00 42.46 39.09 2k45 s ILE 100 CO 0.46 0.00 1.38 0.16 -1.91 0.00 0.00 174.94 175.03 2k45 h ILE 101 N 4.28 1.31 -2.13 2.00 3.07 -1.69 -3.40 117.51 120.95 2k45 h ILE 101 Ca -0.45 -1.54 0.07 0.00 1.55 0.00 0.00 64.86 64.50 2k45 h ILE 101 Cb 1.21 1.72 -0.01 0.00 -0.27 0.00 0.00 36.82 39.46 2k45 h ILE 101 CO 0.95 0.48 0.29 0.61 -1.05 0.00 0.00 178.15 179.44 2k45 n GLY 102 N 0.28 1.00 3.54 0.16 0.00 -0.75 -3.47 105.19 105.95 2k45 n GLY 102 Ca -0.05 -1.05 -0.07 0.00 0.00 0.00 0.00 46.02 44.85 2k45 n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k45 s GLU 103 N -2.03 0.72 -0.05 1.61 2.12 0.24 -0.51 118.70 120.80 2k45 s GLU 103 Ca 0.11 -0.28 -0.05 0.00 0.36 0.00 0.00 54.97 55.11 2k45 s GLU 103 Cb -0.02 0.32 0.01 0.00 0.26 0.00 0.00 34.13 34.71 2k45 s GLU 103 CO 0.03 -0.32 0.15 0.12 -0.54 0.00 0.00 175.26 174.70 2k45 s PHE 104 N -2.96 -0.14 -0.20 5.30 5.36 0.31 -0.31 117.98 125.34 2k45 s PHE 104 Ca 0.07 0.33 -0.01 0.00 -0.96 0.00 0.00 56.93 56.36 2k45 s PHE 104 Cb -0.01 0.04 0.01 0.00 -0.34 0.00 0.00 43.02 42.72 2k45 s PHE 104 CO -0.07 -0.11 -0.14 0.15 -1.46 0.00 0.00 175.22 173.60 2k45 s LYS 105 N -0.12 3.10 -0.18 10.12 3.01 -1.26 -0.33 119.74 134.08 2k45 s LYS 105 Ca -0.02 -0.78 -0.04 0.00 -1.01 0.00 0.00 55.97 54.12 2k45 s LYS 105 Cb -0.02 -2.75 0.09 0.00 -1.01 0.00 0.00 37.83 34.13 2k45 s LYS 105 CO 0.00 -0.22 0.25 0.54 0.51 0.00 0.00 175.35 176.43 2k45 s VAL 106 N 1.35 -0.38 0.21 3.17 0.11 -0.14 -5.03 120.40 119.69 2k45 s VAL 106 Ca 0.05 0.05 -0.32 0.00 -2.93 0.00 0.00 61.98 58.83 2k45 s VAL 106 Cb -0.14 -0.59 -0.12 0.00 -1.53 0.00 0.00 36.38 34.00 2k45 s VAL 106 CO -0.09 -0.07 1.69 -2.16 -3.33 0.00 0.00 175.10 171.14 2k45 s PRO 107 N 2.38 4.14 0.59 1.54 0.04 -1.26 -1.35 135.00 141.07 2k45 s PRO 107 Ca 0.05 2.57 0.29 0.00 0.04 0.00 0.00 61.00 63.96 2k45 s PRO 107 Cb -0.14 -3.08 1.79 0.00 0.04 0.00 0.00 34.50 33.11 2k45 s PRO 107 CO -0.11 -0.72 2.25 0.52 0.04 0.00 0.00 177.00 178.98 2k45 h MET 108 N 6.55 0.00 0.00 4.56 2.86 -1.53 0.13 114.93 127.50 2k45 h MET 108 Ca -0.43 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.21 2k45 h MET 108 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2k45 h MET 108 CO 0.93 0.00 0.00 -2.95 1.06 0.00 0.00 176.91 175.96 2k45 h ASN 109 N 0.00 0.00 1.19 1.22 7.08 -1.65 0.12 115.58 123.54 2k45 h ASN 109 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k45 h ASN 109 Cb 0.01 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.25 2k45 h ASN 109 CO 0.00 0.00 -0.73 0.74 -2.08 0.00 0.00 177.43 175.36 2k45 h THR 110 N 0.00 0.00 -3.38 6.14 2.02 -1.10 -3.44 112.91 113.15 2k45 h THR 110 Ca 0.00 -0.92 -0.58 0.00 0.77 0.00 0.00 66.41 65.67 2k45 h THR 110 Cb 0.20 1.54 -0.08 0.00 -1.74 0.00 0.00 68.15 68.08 2k45 h THR 110 CO 0.00 0.00 0.69 -0.69 0.37 0.00 0.00 175.52 175.89 2k45 s VAL 111 N -3.30 4.59 -0.46 3.16 1.01 0.42 -4.99 120.40 120.83 2k45 s VAL 111 Ca 0.02 1.48 -0.29 0.00 0.00 0.00 0.00 61.98 63.19 2k45 s VAL 111 Cb 0.09 -4.34 0.02 0.00 0.00 0.00 0.00 36.38 32.15 2k45 s VAL 111 CO 0.75 -0.45 1.29 -0.62 0.00 0.00 0.00 175.10 176.08 2k45 s ASP 112 N 1.71 6.44 -1.05 3.32 2.15 -1.26 -4.93 116.67 123.05 2k45 s ASP 112 Ca 0.41 0.61 -0.03 0.00 0.43 0.00 0.00 52.55 53.97 2k45 s ASP 112 Cb -0.12 -2.54 0.24 0.00 -0.30 0.00 0.00 42.92 40.19 2k45 s ASP 112 CO 0.16 -1.39 2.10 2.22 -0.17 0.00 0.00 175.17 178.09 2k45 n PHE 113 N 8.48 2.65 -0.07 -5.34 -1.74 -1.26 -4.56 117.46 115.62 2k45 n PHE 113 Ca 0.14 -2.56 -0.09 0.00 -0.56 0.00 0.00 57.45 54.38 2k45 n PHE 113 Cb 0.49 -1.41 -0.06 0.00 1.52 0.00 0.00 39.48 40.02 2k45 n PHE 113 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2k45 h GLY 114 N 4.46 0.00 0.00 4.97 0.00 -1.99 -3.49 103.07 107.02 2k45 h GLY 114 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 2k45 h GLY 114 CO 1.28 0.00 0.00 1.42 0.00 0.00 0.00 176.54 179.24 2k45 n HIS 115 N -4.61 0.00 -4.37 5.60 8.25 -1.26 -5.05 115.22 113.78 2k45 n HIS 115 Ca -0.12 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.01 2k45 n HIS 115 Cb 0.34 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.30 2k45 n HIS 115 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2k45 s VAL 116 N 1.52 2.63 -0.67 1.59 1.01 -1.26 -4.01 120.40 121.21 2k45 s VAL 116 Ca 0.00 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 60.96 2k45 s VAL 116 Cb 0.00 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.30 2k45 s VAL 116 CO 0.00 0.51 1.11 -0.89 0.00 0.00 0.00 175.10 175.83 2k45 s THR 117 N 0.99 4.06 -0.29 3.92 2.01 0.43 -4.84 115.64 121.92 2k45 s THR 117 Ca -0.02 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 2k45 s THR 117 Cb -0.15 -4.77 0.05 0.00 0.01 0.00 0.00 72.50 67.64 2k45 s THR 117 CO -0.03 -1.57 -0.01 -1.83 -0.69 0.00 0.00 174.62 170.49 2k45 s GLU 118 N 4.80 2.49 0.16 4.92 -1.05 -1.26 0.66 118.70 129.43 2k45 s GLU 118 Ca 0.30 -1.22 -0.21 0.00 -0.15 0.00 0.00 54.97 53.69 2k45 s GLU 118 Cb -0.12 -3.16 0.05 0.00 -0.44 0.00 0.00 34.13 30.46 2k45 s GLU 118 CO 0.14 -0.59 0.55 -1.83 0.95 0.00 0.00 175.26 174.48 2k45 s GLU 119 N 1.27 1.26 -0.49 -4.83 -1.05 -0.18 -4.95 118.70 109.73 2k45 s GLU 119 Ca -0.05 -0.60 -0.21 0.00 -0.15 0.00 0.00 54.97 53.96 2k45 s GLU 119 Cb -0.19 0.55 0.04 0.00 -0.44 0.00 0.00 34.13 34.09 2k45 s GLU 119 CO -0.01 -0.54 0.73 -1.58 0.95 0.00 0.00 175.26 174.80 2k45 s TRP 120 N -3.79 2.98 -0.06 4.83 0.23 -1.26 -2.30 118.94 119.58 2k45 s TRP 120 Ca 0.03 -0.19 0.01 0.00 -2.03 0.00 0.00 56.10 53.92 2k45 s TRP 120 Cb -0.01 -3.62 -0.03 0.00 0.03 0.00 0.00 33.47 29.84 2k45 s TRP 120 CO -0.11 -1.06 -0.05 0.50 0.96 0.00 0.00 176.95 177.19 2k45 s ARG 121 N 3.08 2.76 -0.16 4.98 6.06 -0.84 -4.95 118.95 129.88 2k45 s ARG 121 Ca 0.23 -0.55 -0.12 0.00 -2.50 0.00 0.00 55.73 52.78 2k45 s ARG 121 Cb -0.15 -2.61 -0.05 0.00 0.06 0.00 0.00 34.95 32.20 2k45 s ARG 121 CO 0.17 0.66 0.25 -0.51 -2.50 0.00 0.00 175.30 173.37 2k45 s ASP 122 N -0.96 6.40 -0.25 -2.12 1.11 -1.26 0.81 116.67 120.40 2k45 s ASP 122 Ca 0.14 0.47 -0.15 0.00 0.18 0.00 0.00 52.55 53.19 2k45 s ASP 122 Cb -0.11 -2.16 -0.04 0.00 1.07 0.00 0.00 42.92 41.69 2k45 s ASP 122 CO 0.03 0.16 0.37 -0.76 1.18 0.00 0.00 175.17 176.15 2k45 s LEU 123 N 0.21 4.07 -0.10 1.23 1.43 0.13 -4.65 118.68 121.00 2k45 s LEU 123 Ca 0.15 0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.53 2k45 s LEU 123 Cb -0.13 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2k45 s LEU 123 CO 0.03 -0.14 0.09 0.00 0.23 0.00 0.00 176.35 176.55 2k45 s GLN 124 N 1.83 3.26 -0.37 1.70 -2.07 0.58 -0.95 119.66 123.64 2k45 s GLN 124 Ca 0.15 -0.24 -0.29 0.00 -1.82 0.00 0.00 55.36 53.16 2k45 s GLN 124 Cb -0.15 -3.03 0.01 0.00 -1.09 0.00 0.00 33.01 28.74 2k45 s GLN 124 CO 0.09 0.75 1.35 0.45 -1.32 0.00 0.00 175.29 176.61 2k45 s SER 125 N -0.99 6.49 -0.08 12.60 0.15 -1.26 0.79 113.70 131.40 2k45 s SER 125 Ca 0.15 0.95 -0.04 0.00 0.70 0.00 0.00 55.95 57.70 2k45 s SER 125 Cb -0.12 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 2k45 s SER 125 CO 0.04 -1.28 0.12 0.00 1.20 0.00 0.00 173.24 173.32 2k45 s ALA 126 N 4.93 3.77 -1.08 5.45 0.00 -1.23 -4.60 121.76 129.00 2k45 s ALA 126 Ca 0.58 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.73 2k45 s ALA 126 Cb -0.14 -1.82 0.27 0.00 0.00 0.00 0.00 23.12 21.42 2k45 s ALA 126 CO 0.29 0.65 1.07 -1.21 0.00 0.00 0.00 175.76 176.56 2k45 s GLU 127 N -1.30 4.12 0.00 0.00 2.02 -1.26 -4.48 118.70 117.80 2k45 s GLU 127 Ca 0.18 -3.17 0.10 0.00 0.02 0.00 0.00 54.97 52.10 2k45 s GLU 127 Cb -0.12 -4.52 0.08 0.00 0.10 0.00 0.00 34.13 29.67 2k45 s GLU 127 CO 0.08 -1.25 0.81 1.17 0.02 0.00 0.00 175.26 176.10