#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 -1.53 0.04 5.31 4.76 -1.26 -4.70 118.16 120.77 2k45 n LYS 2 Ca 0.00 1.53 0.13 0.00 -2.87 0.00 0.00 58.31 57.09 2k45 n LYS 2 Cb 0.00 -3.69 0.32 0.00 -1.84 0.00 0.00 35.03 29.82 2k45 n LYS 2 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2k45 n LEU 3 N -0.13 0.51 0.00 -0.35 7.94 -1.17 -4.70 117.00 119.10 2k45 n LEU 3 Ca 0.04 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 2k45 n LEU 3 Cb 0.17 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 43.83 2k45 n LEU 3 CO 0.26 -0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 2k45 n GLY 4 N 1.42 -1.61 3.14 -3.96 0.00 -1.22 -3.33 105.19 99.63 2k45 n GLY 4 Ca 0.05 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.00 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 0.74 -0.27 1.61 1.02 -1.23 -2.33 119.74 119.28 2k45 s LYS 5 Ca 0.00 -1.20 -0.01 0.00 0.02 0.00 0.00 55.97 54.77 2k45 s LYS 5 Cb 0.00 0.25 0.09 0.00 -0.52 0.00 0.00 37.83 37.65 2k45 s LYS 5 CO 0.00 -0.19 0.07 -0.48 -0.92 0.00 0.00 175.35 173.83 2k45 s LEU 6 N -2.93 1.86 -0.41 3.17 2.34 0.18 -0.13 118.68 122.76 2k45 s LEU 6 Ca 0.10 -1.35 -0.16 0.00 0.06 0.00 0.00 54.13 52.78 2k45 s LEU 6 Cb 0.07 -0.78 0.02 0.00 -0.56 0.00 0.00 46.19 44.94 2k45 s LEU 6 CO -0.08 -0.37 0.37 0.00 -1.06 0.00 0.00 176.35 175.21 2k45 s GLN 7 N 1.70 3.10 0.00 1.48 0.00 -0.81 -3.04 119.66 122.08 2k45 s GLN 7 Ca 0.05 -0.83 0.00 0.00 -0.00 0.00 0.00 55.36 54.59 2k45 s GLN 7 Cb -0.17 -3.95 0.00 0.00 0.00 0.00 0.00 33.01 28.88 2k45 s GLN 7 CO -0.20 -0.77 0.00 0.98 0.00 0.00 0.00 175.29 175.30 2k45 n TYR 8 N 5.40 0.00 -3.93 9.60 9.36 -1.00 -3.24 117.16 133.35 2k45 n TYR 8 Ca -0.09 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.83 2k45 n TYR 8 Cb 0.47 0.00 -0.15 0.00 -0.63 0.00 0.00 39.34 39.03 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 4.01 -0.09 2.98 1.04 -0.33 -1.31 113.70 122.00 2k45 s SER 9 Ca 0.00 -1.36 0.01 0.00 0.48 0.00 0.00 55.95 55.09 2k45 s SER 9 Cb 0.00 -1.22 0.02 0.00 0.10 0.00 0.00 66.02 64.92 2k45 s SER 9 CO 0.00 -0.27 -0.11 -1.48 0.98 0.00 0.00 173.24 172.36 2k45 s LEU 10 N 1.35 1.50 0.00 2.42 2.34 0.17 -2.27 118.68 124.18 2k45 s LEU 10 Ca -0.02 -0.31 0.02 0.00 0.06 0.00 0.00 54.13 53.88 2k45 s LEU 10 Cb -0.19 -0.85 -0.01 0.00 -0.56 0.00 0.00 46.19 44.59 2k45 s LEU 10 CO -0.08 -0.02 0.24 -0.67 -1.06 0.00 0.00 176.35 174.76 2k45 n ASP 11 N 4.23 -0.65 -4.13 1.48 2.03 0.21 -1.97 116.55 117.74 2k45 n ASP 11 Ca -0.19 -2.28 -0.32 0.00 0.52 0.00 0.00 54.79 52.52 2k45 n ASP 11 Cb 0.51 1.33 -0.16 0.00 -0.72 0.00 0.00 41.12 42.07 2k45 n ASP 11 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 2k45 s TYR 12 N -3.27 2.52 -0.36 -0.67 1.13 -0.80 0.33 117.35 116.24 2k45 s TYR 12 Ca 0.22 -1.30 -0.09 0.00 -1.41 0.00 0.00 57.07 54.49 2k45 s TYR 12 Cb 0.00 -1.74 0.03 0.00 -1.10 0.00 0.00 41.96 39.15 2k45 s TYR 12 CO 0.15 -0.62 0.16 0.34 -2.51 0.00 0.00 175.55 173.08 2k45 s ASP 13 N 0.96 5.55 0.06 -0.18 -1.08 -1.23 -4.05 116.67 116.70 2k45 s ASP 13 Ca -0.05 -1.02 0.19 0.00 -0.52 0.00 0.00 52.55 51.16 2k45 s ASP 13 Cb -0.15 -1.96 -0.14 0.00 -1.46 0.00 0.00 42.92 39.21 2k45 s ASP 13 CO -0.04 -0.35 0.77 2.22 0.52 0.00 0.00 175.17 178.29 2k45 n PHE 14 N 4.92 0.77 0.50 -5.34 -1.74 -1.26 -2.73 117.46 112.58 2k45 n PHE 14 Ca -0.12 0.25 0.06 0.00 -0.56 0.00 0.00 57.45 57.07 2k45 n PHE 14 Cb 0.46 -0.97 0.19 0.00 1.52 0.00 0.00 39.48 40.68 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 -2.74 2.26 0.00 3.97 -0.00 -1.26 -1.08 117.38 118.52 2k45 n GLN 15 Ca -0.09 -1.56 0.06 0.00 -0.00 0.00 0.00 57.00 55.42 2k45 n GLN 15 Cb 0.76 -1.47 0.03 0.00 -0.00 0.00 0.00 30.24 29.56 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 0.63 1.79 -3.71 2.61 0.23 -1.25 -5.01 115.26 110.55 2k45 n ASN 16 Ca 0.14 -1.40 -0.24 0.00 -0.53 0.00 0.00 54.58 52.56 2k45 n ASN 16 Cb 0.45 0.17 0.03 0.00 -2.08 0.00 0.00 39.78 38.35 2k45 n ASN 16 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2k45 n ASN 17 N 0.38 -2.34 -3.80 0.53 5.03 -0.24 -4.97 115.26 109.84 2k45 n ASN 17 Ca 0.06 -0.89 -0.13 0.00 0.87 0.00 0.00 54.58 54.50 2k45 n ASN 17 Cb 0.29 -3.81 -0.12 0.00 -1.02 0.00 0.00 39.78 35.12 2k45 n ASN 17 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k45 s GLN 18 N -5.96 0.22 0.26 3.52 1.03 -1.11 -2.80 119.66 114.82 2k45 s GLN 18 Ca 0.14 0.27 -0.20 0.00 0.04 0.00 0.00 55.36 55.61 2k45 s GLN 18 Cb -0.04 0.10 -0.09 0.00 0.03 0.00 0.00 33.01 33.01 2k45 s GLN 18 CO 0.83 -0.03 0.77 -0.51 -2.54 0.00 0.00 175.29 173.82 2k45 s LEU 19 N 0.13 4.28 -0.08 2.60 1.43 -0.81 -3.86 118.68 122.38 2k45 s LEU 19 Ca -0.00 1.48 0.02 0.00 -1.03 0.00 0.00 54.13 54.60 2k45 s LEU 19 Cb -0.02 -3.78 0.01 0.00 0.03 0.00 0.00 46.19 42.44 2k45 s LEU 19 CO 0.00 -0.04 -0.12 -0.76 0.23 0.00 0.00 176.35 175.66 2k45 s LEU 20 N -2.19 1.60 -0.57 1.79 1.43 0.68 0.61 118.68 122.04 2k45 s LEU 20 Ca 0.47 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 2k45 s LEU 20 Cb -0.16 -0.86 0.16 0.00 0.03 0.00 0.00 46.19 45.36 2k45 s LEU 20 CO 0.21 0.02 0.39 -0.69 0.23 0.00 0.00 176.35 176.50 2k45 s VAL 21 N 0.81 2.06 -0.72 -1.59 1.01 0.34 -3.46 120.40 118.85 2k45 s VAL 21 Ca -0.12 -3.51 -0.18 0.00 0.00 0.00 0.00 61.98 58.17 2k45 s VAL 21 Cb -0.15 -2.38 0.13 0.00 0.00 0.00 0.00 36.38 33.97 2k45 s VAL 21 CO 0.02 -1.01 0.84 -0.83 0.00 0.00 0.00 175.10 174.12 2k45 s GLY 22 N -0.67 1.94 0.00 4.51 0.00 -0.96 -1.22 107.32 110.92 2k45 s GLY 22 Ca 0.24 -2.52 0.00 0.00 0.00 0.00 0.00 44.72 42.44 2k45 s GLY 22 CO -0.12 1.66 0.00 0.29 0.00 0.00 0.00 173.10 174.93 2k45 n ILE 23 N 5.29 0.00 0.00 0.90 -5.35 -1.04 -1.19 119.36 117.97 2k45 n ILE 23 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 2k45 n ILE 23 Cb 0.45 -1.51 0.00 0.00 -1.74 0.00 0.00 39.64 36.84 2k45 n ILE 23 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2k45 n ILE 24 N -0.56 0.00 -3.76 7.28 5.41 -1.20 -2.46 119.36 124.07 2k45 n ILE 24 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 2k45 n ILE 24 Cb 0.00 -0.93 -0.08 0.00 -0.71 0.00 0.00 39.64 37.91 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 -0.88 0.70 0.12 0.38 1.03 -1.26 0.73 119.66 120.47 2k45 s GLN 25 Ca 0.00 -0.26 0.04 0.00 0.04 0.00 0.00 55.36 55.18 2k45 s GLN 25 Cb 0.00 0.31 -0.04 0.00 0.03 0.00 0.00 33.01 33.31 2k45 s GLN 25 CO 0.00 -0.20 0.11 0.00 -2.54 0.00 0.00 175.29 172.65 2k45 s ALA 26 N -1.60 3.57 -0.11 2.60 0.00 -1.06 -1.92 121.76 123.24 2k45 s ALA 26 Ca -0.12 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.76 2k45 s ALA 26 Cb -0.04 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.69 2k45 s ALA 26 CO 0.03 0.64 -0.12 0.00 0.00 0.00 0.00 175.76 176.31 2k45 s ALA 27 N -1.54 1.54 -1.02 0.00 0.00 0.81 -2.88 121.76 118.66 2k45 s ALA 27 Ca 0.30 -0.65 -0.00 0.00 0.00 0.00 0.00 51.96 51.61 2k45 s ALA 27 Cb -0.11 -0.84 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 2k45 s ALA 27 CO 0.23 -0.19 0.85 0.39 0.00 0.00 0.00 175.76 177.04 2k45 n GLU 28 N 4.43 -5.49 -3.66 0.00 1.02 0.11 -3.49 120.64 113.56 2k45 n GLU 28 Ca -0.18 0.72 -0.37 0.00 -0.02 0.00 0.00 57.16 57.31 2k45 n GLU 28 Cb 0.51 -5.36 -0.06 0.00 -0.02 0.00 0.00 31.44 26.51 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 -5.68 4.40 0.26 -4.62 1.43 0.18 -4.39 118.68 110.26 2k45 s LEU 29 Ca 0.02 0.68 -0.26 0.00 -1.03 0.00 0.00 54.13 53.54 2k45 s LEU 29 Cb -0.00 -2.34 -0.17 0.00 0.03 0.00 0.00 46.19 43.71 2k45 s LEU 29 CO 0.62 0.32 0.40 -2.65 0.23 0.00 0.00 176.35 175.27 2k45 n PRO 30 N 2.18 0.00 -2.66 1.29 -0.02 -1.26 -4.56 135.00 129.96 2k45 n PRO 30 Ca -0.16 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.90 2k45 n PRO 30 Cb 0.53 -1.00 -0.03 0.00 -0.02 0.00 0.00 33.50 32.98 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 -1.19 3.28 -0.35 3.55 0.00 -1.26 -4.53 121.76 121.25 2k45 s ALA 31 Ca 0.63 0.52 0.07 0.00 0.00 0.00 0.00 51.96 53.18 2k45 s ALA 31 Cb -0.85 -3.39 0.51 0.00 0.00 0.00 0.00 23.12 19.39 2k45 s ALA 31 CO 0.58 -0.40 1.52 1.28 0.00 0.00 0.00 175.76 178.74 2k45 n LEU 32 N 4.33 4.87 -3.95 0.00 7.99 -0.86 -4.85 117.00 124.54 2k45 n LEU 32 Ca 0.07 -3.99 -0.09 0.00 -0.01 0.00 0.00 56.01 51.99 2k45 n LEU 32 Cb 0.50 -0.65 -0.10 0.00 -0.11 0.00 0.00 43.42 43.06 2k45 n LEU 32 CO 0.53 1.41 -0.25 -0.62 -1.51 0.00 0.00 177.39 176.95 2k45 s ASP 33 N -2.53 0.20 -1.52 -1.43 -1.08 -0.90 -4.71 116.67 104.70 2k45 s ASP 33 Ca 0.49 -0.53 -0.12 0.00 -0.52 0.00 0.00 52.55 51.87 2k45 s ASP 33 Cb 0.43 0.20 -0.01 0.00 -1.46 0.00 0.00 42.92 42.08 2k45 s ASP 33 CO 0.01 -0.47 2.52 0.80 0.52 0.00 0.00 175.17 178.55 2k45 n MET 34 N 0.93 3.28 -0.17 4.34 0.00 -1.26 -2.55 117.12 121.69 2k45 n MET 34 Ca -0.20 -2.50 0.00 0.00 -0.00 0.00 0.00 57.70 55.00 2k45 n MET 34 Cb 0.58 -3.06 0.00 0.00 0.00 0.00 0.00 33.22 30.74 2k45 n MET 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k45 n GLY 35 N 3.77 0.47 3.87 -5.12 0.00 -1.26 -4.99 105.19 101.92 2k45 n GLY 35 Ca 0.63 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.45 3.22 -0.02 0.00 -1.05 -4.98 105.19 101.89 2k45 n GLY 36 Ca 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.38 0.06 0.20 2.61 -4.23 -1.25 -4.83 115.64 104.80 2k45 s THR 37 Ca 0.53 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.12 2k45 s THR 37 Cb -0.26 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.02 2k45 s THR 37 CO 0.82 0.00 -0.17 -0.55 -0.54 0.00 0.00 174.62 174.18 2k45 s SER 38 N -3.19 2.79 -0.76 3.99 0.15 -1.22 -2.02 113.70 113.44 2k45 s SER 38 Ca 0.39 -0.95 0.03 0.00 0.70 0.00 0.00 55.95 56.12 2k45 s SER 38 Cb 0.07 -0.17 0.25 0.00 -1.71 0.00 0.00 66.02 64.46 2k45 s SER 38 CO 0.13 -0.07 0.87 0.47 1.20 0.00 0.00 173.24 175.84 2k45 n ASP 39 N -0.10 4.27 -4.80 5.45 9.92 -1.26 -0.32 116.55 129.71 2k45 n ASP 39 Ca -0.10 -3.39 -0.34 0.00 -0.53 0.00 0.00 54.79 50.44 2k45 n ASP 39 Cb 0.59 -0.84 -0.04 0.00 -0.64 0.00 0.00 41.12 40.19 2k45 n ASP 39 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 2k45 s PRO 40 N -2.33 3.85 -0.28 -0.24 0.02 -1.24 -1.80 135.00 132.98 2k45 s PRO 40 Ca 0.35 1.32 -0.20 0.00 0.02 0.00 0.00 61.00 62.49 2k45 s PRO 40 Cb 0.09 -2.10 0.09 0.00 0.02 0.00 0.00 34.50 32.59 2k45 s PRO 40 CO -0.02 -0.38 0.78 1.52 -0.33 0.00 0.00 177.00 178.57 2k45 s TYR 41 N -2.02 -0.84 -0.36 6.54 -0.85 -0.31 -3.40 117.35 116.12 2k45 s TYR 41 Ca 0.66 1.83 -0.20 0.00 -0.52 0.00 0.00 57.07 58.84 2k45 s TYR 41 Cb -0.15 0.43 0.00 0.00 0.38 0.00 0.00 41.96 42.62 2k45 s TYR 41 CO 0.19 -0.41 0.62 0.08 -1.52 0.00 0.00 175.55 174.51 2k45 s VAL 42 N 0.96 4.91 -0.03 -3.49 1.01 -1.26 0.17 120.40 122.67 2k45 s VAL 42 Ca -0.05 0.54 -0.28 0.00 0.00 0.00 0.00 61.98 62.20 2k45 s VAL 42 Cb -0.05 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2k45 s VAL 42 CO -0.10 -0.30 0.90 -0.54 0.00 0.00 0.00 175.10 175.06 2k45 s LYS 43 N 2.66 4.50 -0.20 2.72 1.02 0.30 -3.35 119.74 127.39 2k45 s LYS 43 Ca 0.23 1.25 -0.02 0.00 0.02 0.00 0.00 55.97 57.45 2k45 s LYS 43 Cb -0.15 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 2k45 s LYS 43 CO 0.15 -0.05 -0.11 0.08 -0.92 0.00 0.00 175.35 174.50 2k45 s VAL 44 N 1.06 2.85 0.21 3.17 1.01 -1.24 -0.15 120.40 127.32 2k45 s VAL 44 Ca 0.47 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 2k45 s VAL 44 Cb -0.20 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 2k45 s VAL 44 CO 0.24 0.47 0.22 -0.36 0.00 0.00 0.00 175.10 175.67 2k45 s PHE 45 N 1.39 0.97 0.17 5.22 0.40 -1.01 -3.28 117.98 121.84 2k45 s PHE 45 Ca 0.05 -1.22 0.11 0.00 -0.60 0.00 0.00 56.93 55.28 2k45 s PHE 45 Cb -0.14 -0.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.98 2k45 s PHE 45 CO -0.07 -0.74 -0.25 -0.51 0.70 0.00 0.00 175.22 174.36 2k45 s LEU 46 N -3.13 2.41 0.34 -0.37 1.43 -1.26 -2.74 118.68 115.36 2k45 s LEU 46 Ca 0.35 -0.82 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 2k45 s LEU 46 Cb 0.05 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 2k45 s LEU 46 CO 0.12 0.14 0.51 -1.48 0.23 0.00 0.00 176.35 175.86 2k45 s LEU 47 N -2.48 3.98 0.00 1.79 2.34 -0.80 -2.27 118.68 121.24 2k45 s LEU 47 Ca 0.19 0.10 0.00 0.00 0.06 0.00 0.00 54.13 54.48 2k45 s LEU 47 Cb -0.09 -2.98 0.00 0.00 -0.56 0.00 0.00 46.19 42.57 2k45 s LEU 47 CO 0.09 -0.40 0.00 -2.65 -1.06 0.00 0.00 176.35 172.33 2k45 n PRO 48 N -1.72 0.00 0.00 1.48 -0.02 -1.26 -3.96 135.00 129.51 2k45 n PRO 48 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2k45 n PRO 48 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 2k45 n PRO 48 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2k45 n ASP 49 N 0.00 0.00 -3.57 2.55 2.03 -1.26 -5.00 116.55 111.30 2k45 n ASP 49 Ca 0.00 0.18 -0.19 0.00 0.52 0.00 0.00 54.79 55.30 2k45 n ASP 49 Cb 0.00 -0.32 0.06 0.00 -0.72 0.00 0.00 41.12 40.14 2k45 n ASP 49 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2k45 n LYS 50 N -1.77 -5.77 -0.72 -0.67 0.00 -0.96 -4.87 118.16 103.39 2k45 n LYS 50 Ca 0.00 0.73 -0.11 0.00 0.00 0.00 0.00 58.31 58.94 2k45 n LYS 50 Cb 0.00 -5.52 0.14 0.00 0.00 0.00 0.00 35.03 29.65 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 -4.21 2.16 -3.45 1.64 4.76 -1.26 -4.77 118.16 113.03 2k45 n LYS 51 Ca -0.29 -1.91 -0.25 0.00 -2.87 0.00 0.00 58.31 52.99 2k45 n LYS 51 Cb 0.67 -1.79 -0.12 0.00 -1.84 0.00 0.00 35.03 31.95 2k45 n LYS 51 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2k45 s LYS 52 N -2.08 0.46 -0.72 1.97 1.02 -1.26 -4.17 119.74 114.96 2k45 s LYS 52 Ca 0.35 -0.91 -0.23 0.00 0.02 0.00 0.00 55.97 55.21 2k45 s LYS 52 Cb 0.29 -1.07 0.07 0.00 -0.52 0.00 0.00 37.83 36.60 2k45 s LYS 52 CO 0.08 -1.14 1.06 0.21 -0.92 0.00 0.00 175.35 174.63 2k45 s LYS 53 N 1.54 3.19 0.18 1.68 2.20 -1.26 -4.31 119.74 122.96 2k45 s LYS 53 Ca 0.15 -0.83 0.07 0.00 -0.36 0.00 0.00 55.97 55.00 2k45 s LYS 53 Cb -0.19 -4.34 -0.04 0.00 -1.51 0.00 0.00 37.83 31.76 2k45 s LYS 53 CO -0.13 -1.89 0.00 0.12 -0.36 0.00 0.00 175.35 173.10 2k45 s PHE 54 N 4.27 2.83 -0.21 4.03 2.19 -1.21 -5.04 117.98 124.85 2k45 s PHE 54 Ca 0.26 -0.14 -0.08 0.00 0.33 0.00 0.00 56.93 57.30 2k45 s PHE 54 Cb -0.13 -1.36 0.09 0.00 -1.31 0.00 0.00 43.02 40.30 2k45 s PHE 54 CO 0.08 0.53 0.46 -2.00 1.83 0.00 0.00 175.22 176.12 2k45 s GLU 55 N -3.02 0.40 0.63 10.12 2.12 -1.26 -3.60 118.70 124.08 2k45 s GLU 55 Ca 0.28 1.05 -0.16 0.00 0.36 0.00 0.00 54.97 56.50 2k45 s GLU 55 Cb -0.09 0.31 -0.02 0.00 0.26 0.00 0.00 34.13 34.59 2k45 s GLU 55 CO 0.19 -0.22 1.10 0.95 -0.54 0.00 0.00 175.26 176.74 2k45 s THR 56 N 2.32 3.37 0.53 -1.70 -4.23 -1.21 -5.03 115.64 109.69 2k45 s THR 56 Ca -0.05 0.67 -0.21 0.00 -1.18 0.00 0.00 61.69 60.93 2k45 s THR 56 Cb -0.11 -3.19 -0.05 0.00 1.34 0.00 0.00 72.50 70.48 2k45 s THR 56 CO -0.14 -0.36 1.21 -0.75 -0.54 0.00 0.00 174.62 174.04 2k45 s LYS 57 N -3.97 3.32 -0.02 3.99 2.20 -1.26 -4.83 119.74 119.17 2k45 s LYS 57 Ca 0.67 1.85 -0.30 0.00 -0.36 0.00 0.00 55.97 57.83 2k45 s LYS 57 Cb -0.20 -2.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.93 2k45 s LYS 57 CO 0.38 -0.93 1.07 0.14 -0.36 0.00 0.00 175.35 175.65 2k45 s VAL 58 N -1.55 4.56 -0.72 4.02 -7.23 -1.26 -4.80 120.40 113.43 2k45 s VAL 58 Ca 0.71 1.85 -0.12 0.00 -1.81 0.00 0.00 61.98 62.60 2k45 s VAL 58 Cb -0.31 -4.18 0.19 0.00 0.56 0.00 0.00 36.38 32.64 2k45 s VAL 58 CO 0.35 0.08 0.64 -1.00 -0.31 0.00 0.00 175.10 174.86 2k45 s HIS 59 N 1.49 3.60 0.03 2.82 0.09 -1.22 -5.02 115.29 117.07 2k45 s HIS 59 Ca 0.53 -1.97 -0.30 0.00 -0.00 0.00 0.00 55.06 53.32 2k45 s HIS 59 Cb -0.23 -3.70 -0.06 0.00 -0.00 0.00 0.00 32.58 28.59 2k45 s HIS 59 CO 0.25 -0.97 1.45 -0.98 -0.00 0.00 0.00 174.74 174.48 2k45 s ARG 60 N 0.48 4.27 -0.67 1.40 1.04 -1.26 -3.61 118.95 120.60 2k45 s ARG 60 Ca 0.14 2.05 -0.00 0.00 -1.04 0.00 0.00 55.73 56.87 2k45 s ARG 60 Cb -0.16 -3.53 -0.00 0.00 -2.04 0.00 0.00 34.95 29.21 2k45 s ARG 60 CO -0.05 -0.58 0.56 1.63 -0.04 0.00 0.00 175.30 176.81 2k45 n LYS 61 N 5.21 -3.46 -3.68 3.89 4.76 -1.05 -4.97 118.16 118.87 2k45 n LYS 61 Ca 0.13 0.48 -0.09 0.00 -2.87 0.00 0.00 58.31 55.96 2k45 n LYS 61 Cb 0.43 -4.35 -0.09 0.00 -1.84 0.00 0.00 35.03 29.17 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 -3.21 -0.02 -0.97 -0.18 -4.23 0.56 -4.78 115.64 102.82 2k45 s THR 62 Ca 0.03 0.06 0.29 0.00 -1.18 0.00 0.00 61.69 60.89 2k45 s THR 62 Cb -0.00 -0.75 0.24 0.00 1.34 0.00 0.00 72.50 73.33 2k45 s THR 62 CO 0.41 0.02 1.91 0.18 -0.54 0.00 0.00 174.62 176.60 2k45 n LEU 63 N 4.26 0.09 -3.34 4.79 7.99 -1.26 -3.37 117.00 126.16 2k45 n LEU 63 Ca -0.22 0.50 -0.26 0.00 -0.01 0.00 0.00 56.01 56.02 2k45 n LEU 63 Cb 0.57 -0.48 -0.09 0.00 -0.11 0.00 0.00 43.42 43.31 2k45 n LEU 63 CO 0.05 -0.02 -0.26 -3.20 -1.51 0.00 0.00 177.39 172.45 2k45 n ASN 64 N -1.58 0.36 -4.88 -1.43 4.05 -1.26 0.51 115.26 111.03 2k45 n ASN 64 Ca 0.07 -2.65 -0.33 0.00 0.45 0.00 0.00 54.58 52.11 2k45 n ASN 64 Cb 0.35 -0.61 -0.05 0.00 1.23 0.00 0.00 39.78 40.69 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 -0.80 3.73 -0.21 1.20 0.05 -1.14 -4.85 135.00 132.98 2k45 s PRO 65 Ca 0.34 0.12 -0.01 0.00 0.05 0.00 0.00 61.00 61.50 2k45 s PRO 65 Cb 0.10 -2.88 0.06 0.00 0.05 0.00 0.00 34.50 31.83 2k45 s PRO 65 CO -0.14 0.48 -0.00 0.54 0.05 0.00 0.00 177.00 177.92 2k45 s VAL 66 N -1.57 0.96 -0.21 -0.36 0.11 -1.26 -2.56 120.40 115.51 2k45 s VAL 66 Ca 0.39 -0.83 -0.03 0.00 -2.93 0.00 0.00 61.98 58.57 2k45 s VAL 66 Cb -0.13 -1.35 -0.20 0.00 -1.53 0.00 0.00 36.38 33.17 2k45 s VAL 66 CO 0.21 -0.15 -0.02 0.33 -3.33 0.00 0.00 175.10 172.14 2k45 n PHE 67 N 4.89 0.47 -3.18 1.54 -0.00 0.32 -4.93 117.46 116.58 2k45 n PHE 67 Ca -0.10 0.11 -0.11 0.00 -0.00 0.00 0.00 57.45 57.35 2k45 n PHE 67 Cb 0.46 -1.06 0.01 0.00 -0.00 0.00 0.00 39.48 38.89 2k45 n PHE 67 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2k45 n ASN 68 N -3.46 -7.08 -4.11 -2.13 0.23 0.22 -4.99 115.26 93.94 2k45 n ASN 68 Ca -0.41 -0.06 -0.33 0.00 -0.53 0.00 0.00 54.58 53.25 2k45 n ASN 68 Cb 0.99 -4.30 -0.16 0.00 -2.08 0.00 0.00 39.78 34.23 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 -3.16 2.91 -0.18 -3.83 2.12 -1.03 -4.90 118.70 110.63 2k45 s GLU 69 Ca 0.12 -0.80 -0.29 0.00 0.36 0.00 0.00 54.97 54.36 2k45 s GLU 69 Cb -0.02 -2.51 -0.00 0.00 0.26 0.00 0.00 34.13 31.86 2k45 s GLU 69 CO 0.80 -0.20 0.99 -0.65 -0.54 0.00 0.00 175.26 175.66 2k45 s GLN 70 N 1.28 4.32 -0.47 4.30 -1.52 -1.26 -2.50 119.66 123.80 2k45 s GLN 70 Ca 0.04 1.31 -0.14 0.00 -1.95 0.00 0.00 55.36 54.63 2k45 s GLN 70 Cb -0.13 -3.60 0.09 0.00 -0.22 0.00 0.00 33.01 29.15 2k45 s GLN 70 CO -0.12 -0.48 0.38 -0.06 -0.25 0.00 0.00 175.29 174.76 2k45 s PHE 71 N 2.64 3.28 0.21 0.91 0.08 -0.36 -4.94 117.98 119.80 2k45 s PHE 71 Ca 0.44 -1.18 -0.30 0.00 0.12 0.00 0.00 56.93 56.02 2k45 s PHE 71 Cb -0.16 -3.26 -0.08 0.00 -0.57 0.00 0.00 43.02 38.94 2k45 s PHE 71 CO 0.11 -0.86 1.14 0.99 -0.10 0.00 0.00 175.22 176.50 2k45 s THR 72 N 1.57 3.64 -0.22 0.64 2.01 -1.26 -0.50 115.64 121.52 2k45 s THR 72 Ca 0.04 1.46 -0.03 0.00 0.31 0.00 0.00 61.69 63.46 2k45 s THR 72 Cb -0.25 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 2k45 s THR 72 CO 0.05 0.27 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.83 2k45 s PHE 73 N -0.42 2.94 -1.45 4.92 0.40 0.20 -4.97 117.98 119.60 2k45 s PHE 73 Ca 0.49 -0.99 -0.13 0.00 -0.60 0.00 0.00 56.93 55.71 2k45 s PHE 73 Cb -0.31 -2.09 -0.02 0.00 0.51 0.00 0.00 43.02 41.11 2k45 s PHE 73 CO 0.37 -0.57 2.44 1.17 0.70 0.00 0.00 175.22 179.34 2k45 n LYS 74 N 4.78 3.01 -3.68 0.44 3.00 -1.26 -1.93 118.16 122.53 2k45 n LYS 74 Ca -0.18 -2.38 -0.13 0.00 -0.00 0.00 0.00 58.31 55.61 2k45 n LYS 74 Cb 0.51 -3.08 -0.13 0.00 0.00 0.00 0.00 35.03 32.33 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 2.99 -0.34 0.94 3.15 0.11 -1.26 -4.63 120.40 121.36 2k45 s VAL 75 Ca 0.55 0.25 -0.11 0.00 -2.93 0.00 0.00 61.98 59.74 2k45 s VAL 75 Cb 0.15 -0.43 0.11 0.00 -1.53 0.00 0.00 36.38 34.68 2k45 s VAL 75 CO -0.07 0.11 0.83 -2.65 -3.33 0.00 0.00 175.10 169.99 2k45 n PRO 76 N 5.12 -0.47 0.06 1.54 -0.02 -1.12 -3.23 135.00 136.88 2k45 n PRO 76 Ca -0.10 -0.08 -0.07 0.00 -2.02 0.00 0.00 63.50 61.23 2k45 n PRO 76 Cb 0.50 -2.15 0.08 0.00 -0.02 0.00 0.00 33.50 31.91 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 -1.79 0.42 -0.55 6.00 -0.00 -1.89 0.55 116.97 119.71 2k45 h TYR 77 Ca -0.44 -0.17 0.05 0.00 -0.00 0.00 0.00 58.73 58.17 2k45 h TYR 77 Cb 1.28 -0.07 -0.03 0.00 -0.00 0.00 0.00 36.73 37.90 2k45 h TYR 77 CO 0.44 0.87 0.36 0.66 -0.00 0.00 0.00 178.16 180.50 2k45 h SER 78 N 0.23 0.49 1.12 0.10 4.64 -1.97 -1.73 113.55 116.43 2k45 h SER 78 Ca -0.01 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2k45 h SER 78 Cb 1.18 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2k45 h SER 78 CO 0.11 0.33 -0.53 -0.33 -0.87 0.00 0.00 176.83 175.53 2k45 h GLU 79 N 0.56 0.00 -0.82 4.77 5.08 -1.56 -3.31 114.58 119.30 2k45 h GLU 79 Ca 0.23 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 2k45 h GLU 79 Cb 0.20 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 2k45 h GLU 79 CO -0.06 0.00 0.54 1.25 -1.00 0.00 0.00 179.01 179.73 2k45 h LEU 80 N 0.00 0.85 -0.57 1.33 7.12 0.10 -1.47 115.31 122.67 2k45 h LEU 80 Ca 0.00 -0.01 0.11 0.00 0.13 0.00 0.00 57.88 58.12 2k45 h LEU 80 Cb 0.82 -0.19 -0.09 0.00 -0.53 0.00 0.00 40.66 40.67 2k45 h LEU 80 CO 0.00 0.57 0.00 1.23 -0.13 0.00 0.00 178.44 180.12 2k45 h GLY 81 N 0.98 0.60 0.86 3.75 0.00 -1.64 -2.70 103.07 104.92 2k45 h GLY 81 Ca 0.33 0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.66 2k45 h GLY 81 CO -0.10 -0.17 -0.12 -1.33 0.00 0.00 0.00 176.54 174.82 2k45 h GLY 82 N 0.12 0.57 -3.11 4.60 0.00 -1.50 -3.37 103.07 100.39 2k45 h GLY 82 Ca 0.29 -0.51 -0.52 0.00 0.00 0.00 0.00 47.33 46.60 2k45 h GLY 82 CO -0.48 0.47 -0.04 0.54 0.00 0.00 0.00 176.54 177.02 2k45 s LYS 83 N -4.61 3.77 -0.06 4.80 -0.14 -1.17 -4.96 119.74 117.36 2k45 s LYS 83 Ca -0.13 0.28 0.06 0.00 -1.36 0.00 0.00 55.97 54.82 2k45 s LYS 83 Cb 0.07 -2.56 -0.01 0.00 -1.68 0.00 0.00 37.83 33.66 2k45 s LYS 83 CO 0.78 0.18 -0.25 -0.08 -0.76 0.00 0.00 175.35 175.22 2k45 s THR 84 N -2.06 2.04 -0.02 2.17 -1.32 -1.25 -2.27 115.64 112.92 2k45 s THR 84 Ca 0.48 -1.06 -0.24 0.00 -1.21 0.00 0.00 61.69 59.66 2k45 s THR 84 Cb -0.11 -1.73 -0.04 0.00 -1.51 0.00 0.00 72.50 69.12 2k45 s THR 84 CO 0.26 0.57 0.74 -0.22 -2.21 0.00 0.00 174.62 173.75 2k45 s LEU 85 N -0.14 4.37 -0.07 9.08 0.20 -0.01 -1.91 118.68 130.20 2k45 s LEU 85 Ca -0.04 1.30 0.04 0.00 0.69 0.00 0.00 54.13 56.11 2k45 s LEU 85 Cb -0.14 -3.16 0.00 0.00 -0.43 0.00 0.00 46.19 42.47 2k45 s LEU 85 CO 0.04 -0.08 -0.18 0.68 -0.29 0.00 0.00 176.35 176.52 2k45 s VAL 86 N 0.51 1.58 -0.02 1.68 -7.23 -1.11 -2.40 120.40 113.41 2k45 s VAL 86 Ca 0.39 -0.76 0.06 0.00 -1.81 0.00 0.00 61.98 59.85 2k45 s VAL 86 Cb -0.19 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.36 2k45 s VAL 86 CO 0.20 0.45 -0.18 -0.32 -0.31 0.00 0.00 175.10 174.94 2k45 s MET 87 N 0.34 1.53 -0.23 4.82 1.75 -0.66 -2.42 119.30 124.43 2k45 s MET 87 Ca -0.13 -0.66 -0.03 0.00 -1.25 0.00 0.00 55.69 53.63 2k45 s MET 87 Cb -0.15 -1.46 0.08 0.00 2.84 0.00 0.00 34.83 36.14 2k45 s MET 87 CO 0.05 0.38 0.08 0.00 -0.65 0.00 0.00 175.02 174.89 2k45 s ALA 88 N -0.39 0.87 -0.25 4.11 0.00 0.79 -0.29 121.76 126.61 2k45 s ALA 88 Ca 0.06 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 2k45 s ALA 88 Cb -0.08 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.76 2k45 s ALA 88 CO -0.00 -1.38 1.30 0.54 0.00 0.00 0.00 175.76 176.21 2k45 s VAL 89 N 1.94 4.18 -0.06 0.00 0.11 -0.25 0.11 120.40 126.44 2k45 s VAL 89 Ca 0.04 1.37 0.04 0.00 -2.93 0.00 0.00 61.98 60.51 2k45 s VAL 89 Cb -0.17 -4.08 -0.00 0.00 -1.53 0.00 0.00 36.38 30.60 2k45 s VAL 89 CO -0.18 -0.34 -0.20 -0.47 -3.33 0.00 0.00 175.10 170.58 2k45 s TYR 90 N 4.07 2.01 -0.24 1.54 5.04 0.45 -2.38 117.35 127.85 2k45 s TYR 90 Ca 0.56 -0.65 -0.18 0.00 -2.44 0.00 0.00 57.07 54.36 2k45 s TYR 90 Cb -0.19 -1.35 -0.03 0.00 0.35 0.00 0.00 41.96 40.74 2k45 s TYR 90 CO 0.20 -0.24 0.49 0.34 -1.34 0.00 0.00 175.55 175.00 2k45 s ASP 91 N 0.12 6.46 -0.82 4.32 -1.08 -1.23 -1.17 116.67 123.27 2k45 s ASP 91 Ca -0.08 0.55 -0.23 0.00 -0.52 0.00 0.00 52.55 52.27 2k45 s ASP 91 Cb -0.14 -2.27 0.07 0.00 -1.46 0.00 0.00 42.92 39.12 2k45 s ASP 91 CO 0.04 -0.23 1.18 0.12 0.52 0.00 0.00 175.17 176.80 2k45 s PHE 92 N 1.99 2.68 -2.12 -5.34 5.36 -0.75 -4.38 117.98 115.42 2k45 s PHE 92 Ca 0.21 -0.73 0.17 0.00 -0.96 0.00 0.00 56.93 55.62 2k45 s PHE 92 Cb -0.15 -4.45 0.50 0.00 -0.34 0.00 0.00 43.02 38.58 2k45 s PHE 92 CO 0.09 -1.76 1.40 -0.40 -1.46 0.00 0.00 175.22 173.10 2k45 n ASP 93 N 8.00 2.46 0.00 6.13 5.68 -1.26 -4.64 116.55 132.92 2k45 n ASP 93 Ca 0.13 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 2k45 n ASP 93 Cb 0.48 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 2k45 n ASP 93 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2k45 n ARG 94 N 0.84 -0.03 0.06 0.11 1.74 -1.26 -4.33 116.66 113.79 2k45 n ARG 94 Ca 0.16 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2k45 n ARG 94 Cb 0.41 -4.29 0.00 0.00 -1.02 0.00 0.00 32.46 27.56 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 -1.18 -2.11 -1.55 3.72 -1.26 -5.13 117.46 107.95 2k45 n PHE 95 Ca 0.00 0.21 -0.18 0.00 -0.05 0.00 0.00 57.45 57.43 2k45 n PHE 95 Cb 0.01 0.66 0.11 0.00 -0.94 0.00 0.00 39.48 39.32 2k45 n PHE 95 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2k45 n SER 96 N -2.86 0.55 -4.68 4.37 3.41 -1.26 -5.00 113.62 108.15 2k45 n SER 96 Ca 0.00 -1.58 -0.42 0.00 -0.26 0.00 0.00 58.87 56.60 2k45 n SER 96 Cb 0.00 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.36 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 -4.59 4.29 0.04 4.33 1.02 -1.26 -4.79 119.74 118.78 2k45 s LYS 97 Ca 0.48 1.86 -0.30 0.00 0.02 0.00 0.00 55.97 58.03 2k45 s LYS 97 Cb -0.02 -3.61 -0.07 0.00 -0.52 0.00 0.00 37.83 33.60 2k45 s LYS 97 CO 0.33 -0.57 1.56 -1.01 -0.92 0.00 0.00 175.35 174.74 2k45 s HIS 98 N 2.56 2.57 -0.07 3.18 3.76 -1.26 -4.99 115.29 121.04 2k45 s HIS 98 Ca 0.61 0.50 -0.24 0.00 -0.15 0.00 0.00 55.06 55.78 2k45 s HIS 98 Cb -0.29 -3.86 -0.03 0.00 1.11 0.00 0.00 32.58 29.51 2k45 s HIS 98 CO 0.24 -3.36 0.72 0.34 -0.85 0.00 0.00 174.74 171.83 2k45 s ASP 99 N 2.22 7.00 0.02 1.40 2.15 -1.26 -4.92 116.67 123.28 2k45 s ASP 99 Ca 0.70 1.20 -0.30 0.00 0.43 0.00 0.00 52.55 54.58 2k45 s ASP 99 Cb -0.37 -2.42 -0.07 0.00 -0.30 0.00 0.00 42.92 39.76 2k45 s ASP 99 CO 0.30 -0.15 1.60 -0.63 -0.17 0.00 0.00 175.17 176.12 2k45 s ILE 100 N 0.93 3.34 0.01 4.11 1.01 -1.26 -3.49 121.20 125.85 2k45 s ILE 100 Ca 0.38 0.68 -0.18 0.00 0.00 0.00 0.00 60.65 61.53 2k45 s ILE 100 Cb -0.18 -3.44 -0.29 0.00 0.01 0.00 0.00 42.46 38.57 2k45 s ILE 100 CO 0.18 -0.02 1.04 0.16 0.00 0.00 0.00 174.94 176.30 2k45 h ILE 101 N 5.05 1.38 -1.46 2.92 3.07 -1.81 -3.44 117.51 123.23 2k45 h ILE 101 Ca -0.41 -2.39 0.00 0.00 1.55 0.00 0.00 64.86 63.62 2k45 h ILE 101 Cb 1.19 2.82 0.00 0.00 -0.27 0.00 0.00 36.82 40.56 2k45 h ILE 101 CO 0.93 0.70 0.00 0.61 -1.05 0.00 0.00 178.15 179.34 2k45 n GLY 102 N 1.39 1.27 3.77 0.16 0.00 -1.11 -3.67 105.19 107.00 2k45 n GLY 102 Ca -0.13 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.81 1.68 -0.01 1.61 -1.05 0.27 -1.09 118.70 118.30 2k45 s GLU 103 Ca 0.00 -0.88 0.01 0.00 -0.15 0.00 0.00 54.97 53.94 2k45 s GLU 103 Cb 0.00 0.60 0.00 0.00 -0.44 0.00 0.00 34.13 34.29 2k45 s GLU 103 CO 0.00 -0.76 -0.01 0.12 0.95 0.00 0.00 175.26 175.55 2k45 s PHE 104 N -3.87 0.19 -0.13 4.83 5.36 0.61 -0.74 117.98 124.24 2k45 s PHE 104 Ca 0.09 -0.02 -0.01 0.00 -0.96 0.00 0.00 56.93 56.04 2k45 s PHE 104 Cb -0.05 -0.17 0.03 0.00 -0.34 0.00 0.00 43.02 42.49 2k45 s PHE 104 CO 0.03 -0.03 -0.06 0.21 -1.46 0.00 0.00 175.22 173.91 2k45 s LYS 105 N 0.17 1.41 -0.20 10.12 2.47 -1.26 -1.65 119.74 130.80 2k45 s LYS 105 Ca -0.01 -0.31 -0.05 0.00 -1.56 0.00 0.00 55.97 54.04 2k45 s LYS 105 Cb -0.03 -1.69 0.10 0.00 -1.46 0.00 0.00 37.83 34.74 2k45 s LYS 105 CO -0.00 -0.33 0.34 0.54 0.16 0.00 0.00 175.35 176.05 2k45 s VAL 106 N 1.71 -0.53 0.05 4.02 0.11 -1.01 -5.05 120.40 119.70 2k45 s VAL 106 Ca 0.03 0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 58.86 2k45 s VAL 106 Cb -0.13 -0.66 -0.08 0.00 -1.53 0.00 0.00 36.38 33.98 2k45 s VAL 106 CO -0.08 -0.02 1.70 -2.16 -3.33 0.00 0.00 175.10 171.21 2k45 s PRO 107 N 2.50 4.18 0.52 1.54 0.04 -1.26 -0.83 135.00 141.69 2k45 s PRO 107 Ca 0.05 2.36 0.18 0.00 0.04 0.00 0.00 61.00 63.62 2k45 s PRO 107 Cb -0.14 -3.73 1.30 0.00 0.04 0.00 0.00 34.50 31.98 2k45 s PRO 107 CO -0.13 -0.79 2.13 0.52 0.04 0.00 0.00 177.00 178.78 2k45 h MET 108 N 8.80 0.00 0.00 4.56 2.86 -1.66 -1.95 114.93 127.54 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 0.94 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 0.03 1.22 7.08 -1.58 -2.46 115.58 119.87 2k45 h ASN 109 Ca 0.03 0.00 -0.38 0.00 -3.08 0.00 0.00 56.30 52.87 2k45 h ASN 109 Cb 0.13 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.31 2k45 h ASN 109 CO -0.00 0.00 -2.38 0.35 -2.08 0.00 0.00 177.43 173.32 2k45 n THR 110 N -3.15 1.49 -3.62 6.14 -2.24 -0.73 -4.76 114.28 107.41 2k45 n THR 110 Ca -0.03 -0.67 -0.39 0.00 -2.27 0.00 0.00 64.05 60.70 2k45 n THR 110 Cb 0.07 -1.17 -0.11 0.00 -2.10 0.00 0.00 70.33 67.02 2k45 n THR 110 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2k45 s VAL 111 N -2.52 4.91 -0.68 2.28 1.01 -0.92 -5.04 120.40 119.43 2k45 s VAL 111 Ca -0.26 -0.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 2k45 s VAL 111 Cb 0.08 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 33.05 2k45 s VAL 111 CO 0.69 0.11 1.12 -1.81 0.00 0.00 0.00 175.10 175.21 2k45 s ASP 112 N 1.67 6.20 -0.76 3.32 1.11 -1.26 -4.80 116.67 122.16 2k45 s ASP 112 Ca 0.06 -0.60 0.03 0.00 0.18 0.00 0.00 52.55 52.21 2k45 s ASP 112 Cb -0.17 -2.49 0.31 0.00 1.07 0.00 0.00 42.92 41.63 2k45 s ASP 112 CO 0.08 -1.61 1.15 2.22 1.18 0.00 0.00 175.17 178.19 2k45 n PHE 113 N 8.50 3.42 -0.04 4.23 1.16 -1.24 -1.90 117.46 131.60 2k45 n PHE 113 Ca 0.01 -3.54 -0.15 0.00 -1.87 0.00 0.00 57.45 51.89 2k45 n PHE 113 Cb 0.47 -0.76 -0.12 0.00 -1.61 0.00 0.00 39.48 37.46 2k45 n PHE 113 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 2k45 h GLY 114 N 3.92 0.10 0.00 4.97 0.00 0.53 2.01 103.07 114.60 2k45 h GLY 114 Ca 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2k45 h GLY 114 CO 0.97 0.18 0.00 1.57 0.00 0.00 0.00 176.54 179.27 2k45 n HIS 115 N -4.54 0.00 -3.90 5.60 -0.00 0.96 0.28 115.22 113.62 2k45 n HIS 115 Ca -0.10 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.32 2k45 n HIS 115 Cb 0.51 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.34 2k45 n HIS 115 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2k45 s VAL 116 N 4.24 1.29 -0.19 3.57 -7.23 -1.25 0.67 120.40 121.49 2k45 s VAL 116 Ca 0.00 -0.99 -0.08 0.00 -1.81 0.00 0.00 61.98 59.10 2k45 s VAL 116 Cb 0.00 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 2k45 s VAL 116 CO 0.00 -0.06 0.07 -0.89 -0.31 0.00 0.00 175.10 173.91 2k45 s THR 117 N 1.52 4.82 -0.34 5.32 2.01 -0.83 -4.45 115.64 123.68 2k45 s THR 117 Ca -0.04 -0.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.83 2k45 s THR 117 Cb -0.18 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2k45 s THR 117 CO -0.07 0.44 0.19 -1.61 -0.69 0.00 0.00 174.62 172.89 2k45 s GLU 118 N 0.53 3.23 0.14 4.92 2.02 -1.26 0.43 118.70 128.70 2k45 s GLU 118 Ca 0.04 -0.81 -0.17 0.00 0.02 0.00 0.00 54.97 54.05 2k45 s GLU 118 Cb -0.13 -3.69 0.04 0.00 0.10 0.00 0.00 34.13 30.46 2k45 s GLU 118 CO 0.01 -0.51 0.44 -1.83 0.02 0.00 0.00 175.26 173.39 2k45 s GLU 119 N 1.63 1.12 -0.47 1.61 -1.05 -0.43 -4.94 118.70 116.16 2k45 s GLU 119 Ca 0.04 -0.68 -0.22 0.00 -0.15 0.00 0.00 54.97 53.97 2k45 s GLU 119 Cb -0.18 0.49 0.03 0.00 -0.44 0.00 0.00 34.13 34.04 2k45 s GLU 119 CO 0.08 -0.45 0.73 -1.58 0.95 0.00 0.00 175.26 174.98 2k45 s TRP 120 N -3.80 3.00 -0.01 4.83 0.23 -1.26 -2.38 118.94 119.54 2k45 s TRP 120 Ca 0.03 -0.09 0.06 0.00 -2.03 0.00 0.00 56.10 54.08 2k45 s TRP 120 Cb 0.01 -3.59 -0.03 0.00 0.03 0.00 0.00 33.47 29.89 2k45 s TRP 120 CO -0.12 -1.02 -0.19 0.50 0.96 0.00 0.00 176.95 177.09 2k45 s ARG 121 N 3.10 2.24 -0.12 4.98 6.06 -1.17 -4.97 118.95 129.06 2k45 s ARG 121 Ca 0.24 -0.86 -0.13 0.00 -2.50 0.00 0.00 55.73 52.48 2k45 s ARG 121 Cb -0.14 -2.22 -0.05 0.00 0.06 0.00 0.00 34.95 32.60 2k45 s ARG 121 CO 0.19 0.58 0.30 0.16 -2.50 0.00 0.00 175.30 174.03 2k45 s ASP 122 N -0.97 6.51 -0.32 -2.12 -4.77 -1.26 0.47 116.67 114.21 2k45 s ASP 122 Ca 0.12 0.60 -0.21 0.00 -3.30 0.00 0.00 52.55 49.77 2k45 s ASP 122 Cb -0.10 -2.19 -0.00 0.00 -1.09 0.00 0.00 42.92 39.54 2k45 s ASP 122 CO 0.02 0.18 0.65 -0.22 0.70 0.00 0.00 175.17 176.49 2k45 s LEU 123 N -0.01 4.17 -0.06 2.11 2.96 -0.99 -4.73 118.68 122.14 2k45 s LEU 123 Ca 0.18 0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 54.40 2k45 s LEU 123 Cb -0.14 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 2k45 s LEU 123 CO 0.06 -0.53 0.16 0.00 -1.32 0.00 0.00 176.35 174.72 2k45 s GLN 124 N 2.68 3.44 -0.08 1.98 -2.07 0.08 -3.05 119.66 122.64 2k45 s GLN 124 Ca 0.26 -0.23 -0.30 0.00 -1.82 0.00 0.00 55.36 53.27 2k45 s GLN 124 Cb -0.15 -3.14 -0.04 0.00 -1.09 0.00 0.00 33.01 28.60 2k45 s GLN 124 CO 0.13 0.72 1.44 0.45 -1.32 0.00 0.00 175.29 176.72 2k45 s SER 125 N -1.51 6.82 -0.04 12.60 0.15 -1.26 0.97 113.70 131.42 2k45 s SER 125 Ca 0.21 2.00 -0.12 0.00 0.70 0.00 0.00 55.95 58.75 2k45 s SER 125 Cb -0.12 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.59 2k45 s SER 125 CO 0.12 -0.81 0.32 0.00 1.20 0.00 0.00 173.24 174.07 2k45 s ALA 126 N 3.41 3.76 -1.03 5.45 0.00 -1.24 -4.12 121.76 127.98 2k45 s ALA 126 Ca 0.64 -0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 2k45 s ALA 126 Cb -0.28 -2.25 0.26 0.00 0.00 0.00 0.00 23.12 20.85 2k45 s ALA 126 CO 0.23 0.52 1.04 0.39 0.00 0.00 0.00 175.76 177.94 2k45 n GLU 127 N 1.90 3.32 0.00 0.00 -0.58 -1.26 -4.76 120.64 119.27 2k45 n GLU 127 Ca -0.16 -4.48 0.05 0.00 -0.42 0.00 0.00 57.16 52.14 2k45 n GLU 127 Cb 0.53 -2.49 0.04 0.00 -0.57 0.00 0.00 31.44 28.95 2k45 n GLU 127 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82