#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 0.15 3.44 -0.00 -1.26 -4.77 118.16 115.71 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 0.15 0.00 -0.00 0.00 0.00 35.03 35.18 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 -1.78 -3.41 115.31 110.39 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 1.19 -0.86 3.37 3.75 0.00 -1.19 -3.11 105.19 108.34 2k45 n GLY 4 Ca 0.03 -1.83 -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 1.16 -0.28 1.61 1.02 -1.23 -2.63 119.74 119.39 2k45 s LYS 5 Ca 0.00 -0.95 0.01 0.00 0.02 0.00 0.00 55.97 55.05 2k45 s LYS 5 Cb 0.00 0.44 0.08 0.00 -0.52 0.00 0.00 37.83 37.83 2k45 s LYS 5 CO 0.00 -0.45 0.03 -0.48 -0.92 0.00 0.00 175.35 173.52 2k45 s LEU 6 N -2.89 2.92 -0.33 3.17 2.34 0.28 -0.83 118.68 123.35 2k45 s LEU 6 Ca 0.10 -1.54 -0.14 0.00 0.06 0.00 0.00 54.13 52.61 2k45 s LEU 6 Cb 0.02 -1.15 -0.02 0.00 -0.56 0.00 0.00 46.19 44.47 2k45 s LEU 6 CO -0.05 -0.33 0.31 0.00 -1.06 0.00 0.00 176.35 175.22 2k45 s GLN 7 N 1.37 3.64 0.00 1.48 0.00 -0.88 -1.81 119.66 123.47 2k45 s GLN 7 Ca 0.04 -0.41 0.00 0.00 -0.00 0.00 0.00 55.36 54.98 2k45 s GLN 7 Cb -0.18 -3.77 0.00 0.00 0.00 0.00 0.00 33.01 29.06 2k45 s GLN 7 CO -0.13 -0.43 0.00 0.98 0.00 0.00 0.00 175.29 175.71 2k45 n TYR 8 N 5.27 -0.17 -3.68 9.60 9.36 -1.03 -3.06 117.16 133.44 2k45 n TYR 8 Ca -0.11 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.85 2k45 n TYR 8 Cb 0.50 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 1.10 2.44 -0.12 2.98 1.04 -1.26 -0.86 113.70 119.01 2k45 s SER 9 Ca 0.00 -0.61 -0.06 0.00 0.48 0.00 0.00 55.95 55.76 2k45 s SER 9 Cb 0.00 -0.41 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 2k45 s SER 9 CO 0.00 -0.31 0.11 -0.76 0.98 0.00 0.00 173.24 173.26 2k45 s LEU 10 N 2.00 4.23 0.39 2.42 2.01 0.26 -4.82 118.68 125.17 2k45 s LEU 10 Ca 0.01 0.39 0.05 0.00 0.01 0.00 0.00 54.13 54.58 2k45 s LEU 10 Cb -0.16 -2.03 -0.06 0.00 0.01 0.00 0.00 46.19 43.95 2k45 s LEU 10 CO -0.08 0.38 0.04 -0.62 1.01 0.00 0.00 176.35 177.08 2k45 s ASP 11 N -0.86 3.17 -0.15 2.29 2.15 0.92 0.63 116.67 124.83 2k45 s ASP 11 Ca 0.14 -1.44 -0.01 0.00 0.43 0.00 0.00 52.55 51.67 2k45 s ASP 11 Cb -0.12 -0.06 0.04 0.00 -0.30 0.00 0.00 42.92 42.48 2k45 s ASP 11 CO 0.03 -0.61 -0.05 -0.47 -0.17 0.00 0.00 175.17 173.89 2k45 s TYR 12 N -3.03 1.59 -0.39 -5.34 5.04 -1.19 0.17 117.35 114.20 2k45 s TYR 12 Ca 0.31 -0.96 -0.14 0.00 -2.44 0.00 0.00 57.07 53.84 2k45 s TYR 12 Cb 0.08 -1.27 0.01 0.00 0.35 0.00 0.00 41.96 41.13 2k45 s TYR 12 CO 0.15 -0.58 0.28 0.34 -1.34 0.00 0.00 175.55 174.40 2k45 s ASP 13 N 1.67 6.09 0.05 4.32 -1.08 -0.71 -4.96 116.67 122.05 2k45 s ASP 13 Ca 0.02 -0.78 0.17 0.00 -0.52 0.00 0.00 52.55 51.44 2k45 s ASP 13 Cb -0.14 -2.15 -0.14 0.00 -1.46 0.00 0.00 42.92 39.02 2k45 s ASP 13 CO -0.08 -0.39 0.79 2.22 0.52 0.00 0.00 175.17 178.23 2k45 n PHE 14 N 5.14 0.93 0.11 -5.34 1.16 -1.26 -1.76 117.46 116.44 2k45 n PHE 14 Ca -0.11 0.31 0.07 0.00 -1.87 0.00 0.00 57.45 55.84 2k45 n PHE 14 Cb 0.48 -1.07 0.25 0.00 -1.61 0.00 0.00 39.48 37.53 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 -2.86 2.76 0.00 3.97 0.00 -1.26 -1.36 117.38 118.63 2k45 n GLN 15 Ca -0.10 -1.97 0.06 0.00 0.00 0.00 0.00 57.00 54.99 2k45 n GLN 15 Cb 0.83 -1.64 0.05 0.00 0.00 0.00 0.00 30.24 29.49 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 0.78 2.04 -3.68 2.61 0.23 -1.23 -5.03 115.26 110.98 2k45 n ASN 16 Ca 0.18 -1.52 -0.27 0.00 -0.53 0.00 0.00 54.58 52.44 2k45 n ASN 16 Cb 0.61 0.01 0.04 0.00 -2.08 0.00 0.00 39.78 38.35 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 0.69 -3.86 -3.81 0.53 4.05 -0.47 -4.90 115.26 107.49 2k45 n ASN 17 Ca 0.07 -0.94 -0.12 0.00 0.45 0.00 0.00 54.58 54.04 2k45 n ASN 17 Cb 0.31 -3.68 -0.10 0.00 1.23 0.00 0.00 39.78 37.55 2k45 n ASN 17 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 2k45 s GLN 18 N -5.88 0.53 0.11 1.20 -0.44 -0.72 -1.70 119.66 112.76 2k45 s GLN 18 Ca 0.31 -0.19 -0.24 0.00 -2.50 0.00 0.00 55.36 52.74 2k45 s GLN 18 Cb -0.10 0.23 -0.07 0.00 -1.64 0.00 0.00 33.01 31.43 2k45 s GLN 18 CO 0.84 -0.13 0.71 -0.51 0.50 0.00 0.00 175.29 176.71 2k45 s LEU 19 N -1.12 4.55 -0.10 3.68 1.43 -0.77 -1.74 118.68 124.61 2k45 s LEU 19 Ca -0.12 1.49 -0.03 0.00 -1.03 0.00 0.00 54.13 54.45 2k45 s LEU 19 Cb -0.06 -3.17 0.04 0.00 0.03 0.00 0.00 46.19 43.04 2k45 s LEU 19 CO 0.02 0.19 0.05 -0.22 0.23 0.00 0.00 176.35 176.62 2k45 s LEU 20 N -0.91 0.47 -0.29 1.79 0.20 0.46 -0.64 118.68 119.77 2k45 s LEU 20 Ca 0.34 -0.25 -0.05 0.00 0.69 0.00 0.00 54.13 54.86 2k45 s LEU 20 Cb -0.22 -0.32 0.15 0.00 -0.43 0.00 0.00 46.19 45.38 2k45 s LEU 20 CO 0.23 -0.26 0.59 -0.69 -0.29 0.00 0.00 176.35 175.93 2k45 s VAL 21 N 2.06 -0.94 -0.68 1.68 1.01 -1.23 -0.05 120.40 122.24 2k45 s VAL 21 Ca 0.03 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 61.75 2k45 s VAL 21 Cb -0.14 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.31 2k45 s VAL 21 CO -0.06 -0.00 1.29 -0.83 0.00 0.00 0.00 175.10 175.50 2k45 s GLY 22 N 2.83 0.92 0.00 4.51 0.00 -1.25 -1.49 107.32 112.85 2k45 s GLY 22 Ca 0.07 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.65 2k45 s GLY 22 CO -0.19 2.66 0.00 0.29 0.00 0.00 0.00 173.10 175.86 2k45 n ILE 23 N 6.53 0.00 0.00 0.90 -6.64 -0.64 -4.28 119.36 115.23 2k45 n ILE 23 Ca 0.06 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.04 2k45 n ILE 23 Cb 0.49 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.69 2k45 n ILE 23 CO 0.00 0.00 0.00 -0.38 -1.77 0.00 0.00 176.55 174.40 2k45 n ILE 24 N 0.00 0.00 -3.68 7.28 2.08 -1.17 -3.00 119.36 120.86 2k45 n ILE 24 Ca 0.00 0.09 -0.14 0.00 0.56 0.00 0.00 62.75 63.25 2k45 n ILE 24 Cb 0.00 -0.92 -0.08 0.00 -0.75 0.00 0.00 39.64 37.89 2k45 n ILE 24 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2k45 s GLN 25 N -0.42 0.72 -0.00 0.38 -0.44 -1.26 0.25 119.66 118.89 2k45 s GLN 25 Ca 0.00 0.31 -0.00 0.00 -2.50 0.00 0.00 55.36 53.17 2k45 s GLN 25 Cb 0.00 0.34 -0.04 0.00 -1.64 0.00 0.00 33.01 31.67 2k45 s GLN 25 CO 0.00 -0.17 0.08 0.00 0.50 0.00 0.00 175.29 175.70 2k45 s ALA 26 N -0.58 3.57 -0.08 1.58 0.00 -0.95 -2.07 121.76 123.23 2k45 s ALA 26 Ca -0.07 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2k45 s ALA 26 Cb -0.03 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.54 2k45 s ALA 26 CO 0.04 0.69 -0.13 0.00 0.00 0.00 0.00 175.76 176.36 2k45 s ALA 27 N -1.20 1.43 -0.81 0.00 0.00 -0.01 -2.68 121.76 118.48 2k45 s ALA 27 Ca 0.23 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 2k45 s ALA 27 Cb -0.12 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.32 2k45 s ALA 27 CO 0.14 0.03 0.68 0.39 0.00 0.00 0.00 175.76 177.00 2k45 n GLU 28 N 4.00 -4.53 -3.83 0.00 1.02 0.02 -3.55 120.64 113.76 2k45 n GLU 28 Ca -0.21 0.57 -0.36 0.00 -0.02 0.00 0.00 57.16 57.14 2k45 n GLU 28 Cb 0.51 -4.75 -0.07 0.00 -0.02 0.00 0.00 31.44 27.12 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 -4.95 4.34 0.33 -4.62 1.43 0.26 -4.31 118.68 111.16 2k45 s LEU 29 Ca 0.05 0.40 -0.24 0.00 -1.03 0.00 0.00 54.13 53.31 2k45 s LEU 29 Cb -0.02 -2.08 -0.16 0.00 0.03 0.00 0.00 46.19 43.96 2k45 s LEU 29 CO 0.49 0.34 0.24 -2.65 0.23 0.00 0.00 176.35 175.00 2k45 n PRO 30 N 2.45 0.01 -2.83 1.29 -0.02 -1.26 -4.58 135.00 130.06 2k45 n PRO 30 Ca -0.19 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.88 2k45 n PRO 30 Cb 0.54 -1.01 -0.04 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 -1.44 3.32 -0.34 3.55 0.00 -1.26 -4.55 121.76 121.03 2k45 s ALA 31 Ca 0.61 0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.93 2k45 s ALA 31 Cb -0.74 -3.23 0.45 0.00 0.00 0.00 0.00 23.12 19.60 2k45 s ALA 31 CO 0.60 -0.35 1.20 1.28 0.00 0.00 0.00 175.76 178.50 2k45 n LEU 32 N 4.33 4.98 -3.93 0.00 4.32 -0.83 -4.83 117.00 121.04 2k45 n LEU 32 Ca 0.04 -4.86 -0.10 0.00 -0.02 0.00 0.00 56.01 51.08 2k45 n LEU 32 Cb 0.50 -0.40 -0.10 0.00 -1.62 0.00 0.00 43.42 41.81 2k45 n LEU 32 CO 0.50 2.12 -0.23 -0.62 -1.22 0.00 0.00 177.39 177.94 2k45 s ASP 33 N -3.51 0.16 -1.56 -1.43 2.15 -0.23 -4.39 116.67 107.87 2k45 s ASP 33 Ca 0.51 -0.47 -0.11 0.00 0.43 0.00 0.00 52.55 52.91 2k45 s ASP 33 Cb 0.41 0.20 -0.06 0.00 -0.30 0.00 0.00 42.92 43.17 2k45 s ASP 33 CO -0.03 -0.45 2.77 0.23 -0.17 0.00 0.00 175.17 177.52 2k45 n MET 34 N 1.00 3.45 -0.16 4.34 2.81 -1.26 -2.45 117.12 124.85 2k45 n MET 34 Ca -0.20 -2.25 0.00 0.00 -1.81 0.00 0.00 57.70 53.44 2k45 n MET 34 Cb 0.57 -2.89 0.00 0.00 -0.71 0.00 0.00 33.22 30.20 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 3.70 0.45 3.81 3.03 0.00 -1.26 -4.98 105.19 109.94 2k45 n GLY 35 Ca 0.72 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.46 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 3.26 -0.02 0.00 -1.02 -4.99 105.19 101.90 2k45 n GLY 36 Ca 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.31 0.09 0.26 2.61 -4.23 -1.25 -4.84 115.64 104.96 2k45 s THR 37 Ca 0.63 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.18 2k45 s THR 37 Cb -0.30 -2.51 -0.06 0.00 1.34 0.00 0.00 72.50 70.97 2k45 s THR 37 CO 0.80 0.00 0.01 -0.94 -0.54 0.00 0.00 174.62 173.95 2k45 s SER 38 N -3.27 2.05 -0.90 3.99 1.04 -1.25 -1.07 113.70 114.30 2k45 s SER 38 Ca 0.39 -1.26 -0.00 0.00 0.48 0.00 0.00 55.95 55.55 2k45 s SER 38 Cb 0.05 -0.03 0.27 0.00 0.10 0.00 0.00 66.02 66.41 2k45 s SER 38 CO 0.18 -0.53 1.08 0.47 0.98 0.00 0.00 173.24 175.42 2k45 n ASP 39 N -0.51 5.06 -4.50 7.02 9.92 -1.25 -1.18 116.55 131.10 2k45 n ASP 39 Ca -0.04 -3.35 -0.39 0.00 -0.53 0.00 0.00 54.79 50.48 2k45 n ASP 39 Cb 0.65 -1.03 0.03 0.00 -0.64 0.00 0.00 41.12 40.13 2k45 n ASP 39 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2k45 n PRO 40 N 1.41 0.67 -3.67 -0.24 -0.02 -1.21 -2.90 135.00 129.05 2k45 n PRO 40 Ca 0.26 0.25 -0.08 0.00 -2.02 0.00 0.00 63.50 61.92 2k45 n PRO 40 Cb 0.37 -1.78 -0.09 0.00 -0.02 0.00 0.00 33.50 31.98 2k45 n PRO 40 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2k45 s TYR 41 N -1.60 -0.88 -0.34 6.00 6.14 -0.90 -2.16 117.35 123.61 2k45 s TYR 41 Ca 0.68 1.70 -0.11 0.00 0.64 0.00 0.00 57.07 59.99 2k45 s TYR 41 Cb -0.48 0.44 0.01 0.00 0.42 0.00 0.00 41.96 42.35 2k45 s TYR 41 CO 0.54 -0.47 0.19 0.08 0.64 0.00 0.00 175.55 176.52 2k45 s VAL 42 N 2.02 4.69 -0.35 3.14 1.01 -1.26 0.12 120.40 129.77 2k45 s VAL 42 Ca -0.07 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 2k45 s VAL 42 Cb -0.09 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 2k45 s VAL 42 CO -0.15 -0.06 0.30 -1.59 0.00 0.00 0.00 175.10 173.60 2k45 s LYS 43 N 1.61 3.44 -0.19 2.72 -2.85 0.23 -2.65 119.74 122.05 2k45 s LYS 43 Ca 0.04 -0.61 -0.04 0.00 -1.00 0.00 0.00 55.97 54.35 2k45 s LYS 43 Cb -0.18 -3.84 -0.02 0.00 -2.06 0.00 0.00 37.83 31.73 2k45 s LYS 43 CO 0.07 -0.53 -0.02 0.54 0.10 0.00 0.00 175.35 175.51 2k45 s VAL 44 N 1.85 3.78 0.20 1.79 0.11 -1.25 -0.48 120.40 126.41 2k45 s VAL 44 Ca 0.08 -0.38 0.02 0.00 -2.93 0.00 0.00 61.98 58.78 2k45 s VAL 44 Cb -0.17 -2.70 -0.01 0.00 -1.53 0.00 0.00 36.38 31.97 2k45 s VAL 44 CO 0.11 0.45 0.22 0.49 -3.33 0.00 0.00 175.10 173.04 2k45 n PHE 45 N 4.16 -0.71 -4.41 1.54 3.72 -0.07 -3.34 117.46 118.36 2k45 n PHE 45 Ca -0.17 -1.58 -0.24 0.00 -0.05 0.00 0.00 57.45 55.41 2k45 n PHE 45 Cb 0.52 0.24 -0.09 0.00 -0.94 0.00 0.00 39.48 39.20 2k45 n PHE 45 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2k45 s LEU 46 N 0.00 2.78 0.27 4.37 1.43 -1.26 -0.54 118.68 125.73 2k45 s LEU 46 Ca 0.21 -0.89 -0.28 0.00 -1.03 0.00 0.00 54.13 52.14 2k45 s LEU 46 Cb 0.00 -1.31 -0.09 0.00 0.03 0.00 0.00 46.19 44.82 2k45 s LEU 46 CO 0.15 0.04 0.94 -0.22 0.23 0.00 0.00 176.35 177.49 2k45 s LEU 47 N -3.48 4.52 0.00 1.79 2.96 -0.33 -3.56 118.68 120.58 2k45 s LEU 47 Ca 0.30 1.90 0.00 0.00 -0.22 0.00 0.00 54.13 56.11 2k45 s LEU 47 Cb -0.06 -3.77 0.00 0.00 0.50 0.00 0.00 46.19 42.86 2k45 s LEU 47 CO 0.16 0.07 0.00 -2.65 -1.32 0.00 0.00 176.35 172.61 2k45 n PRO 48 N 1.11 0.00 -0.04 0.98 -0.02 -1.26 -4.10 135.00 131.67 2k45 n PRO 48 Ca -0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 2k45 n PRO 48 Cb 0.48 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.96 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 -5.18 2.55 3.58 -1.96 -3.49 116.42 111.92 2k45 h ASP 49 Ca 0.00 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.18 2k45 h ASP 49 Cb 0.00 0.00 0.15 0.00 1.72 0.00 0.00 39.33 41.20 2k45 h ASP 49 CO 0.00 0.40 -0.69 1.17 -2.88 0.00 0.00 179.24 177.24 2k45 n LYS 50 N -3.61 -4.91 -0.65 0.28 0.00 -1.23 -4.90 118.16 103.12 2k45 n LYS 50 Ca -0.03 0.75 -0.06 0.00 0.00 0.00 0.00 58.31 58.97 2k45 n LYS 50 Cb 0.12 -5.41 0.17 0.00 0.00 0.00 0.00 35.03 29.91 2k45 n LYS 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2k45 n LYS 51 N -3.57 2.52 -3.45 1.64 4.81 -1.26 -4.70 118.16 114.14 2k45 n LYS 51 Ca -0.21 -1.86 -0.26 0.00 -0.87 0.00 0.00 58.31 55.11 2k45 n LYS 51 Cb 0.64 -1.83 -0.11 0.00 0.02 0.00 0.00 35.03 33.74 2k45 n LYS 51 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2k45 s LYS 52 N -2.03 0.48 -0.68 1.64 -2.85 -1.26 -4.22 119.74 110.81 2k45 s LYS 52 Ca 0.34 -0.98 -0.23 0.00 -1.00 0.00 0.00 55.97 54.09 2k45 s LYS 52 Cb 0.27 -1.10 0.06 0.00 -2.06 0.00 0.00 37.83 35.00 2k45 s LYS 52 CO 0.08 -1.16 1.04 0.21 0.10 0.00 0.00 175.35 175.62 2k45 s LYS 53 N 1.45 3.14 0.38 1.78 2.20 -1.26 -4.10 119.74 123.33 2k45 s LYS 53 Ca 0.15 -0.72 0.08 0.00 -0.36 0.00 0.00 55.97 55.12 2k45 s LYS 53 Cb -0.19 -4.24 -0.04 0.00 -1.51 0.00 0.00 37.83 31.85 2k45 s LYS 53 CO -0.10 -1.89 0.23 0.12 -0.36 0.00 0.00 175.35 173.34 2k45 s PHE 54 N 4.42 2.69 -0.24 4.03 5.36 -1.21 -5.05 117.98 127.97 2k45 s PHE 54 Ca 0.25 -0.48 -0.04 0.00 -0.96 0.00 0.00 56.93 55.71 2k45 s PHE 54 Cb -0.15 -1.90 0.13 0.00 -0.34 0.00 0.00 43.02 40.76 2k45 s PHE 54 CO 0.11 0.16 0.43 -2.00 -1.46 0.00 0.00 175.22 172.46 2k45 s GLU 55 N -3.95 0.38 0.55 10.12 2.12 -1.26 -3.81 118.70 122.85 2k45 s GLU 55 Ca 0.42 0.78 -0.19 0.00 0.36 0.00 0.00 54.97 56.34 2k45 s GLU 55 Cb -0.01 -0.05 -0.05 0.00 0.26 0.00 0.00 34.13 34.28 2k45 s GLU 55 CO 0.24 -0.52 1.11 0.99 -0.54 0.00 0.00 175.26 176.54 2k45 s THR 56 N 2.63 3.33 0.48 -1.70 2.01 -1.08 -5.00 115.64 116.30 2k45 s THR 56 Ca 0.09 0.78 -0.23 0.00 0.31 0.00 0.00 61.69 62.65 2k45 s THR 56 Cb -0.14 -3.30 -0.07 0.00 0.01 0.00 0.00 72.50 69.00 2k45 s THR 56 CO -0.16 -0.22 1.21 -0.54 -0.69 0.00 0.00 174.62 174.22 2k45 s LYS 57 N -3.45 3.60 -0.01 4.92 1.02 -1.26 -4.73 119.74 119.84 2k45 s LYS 57 Ca 0.70 1.89 -0.30 0.00 0.02 0.00 0.00 55.97 58.28 2k45 s LYS 57 Cb -0.22 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 2k45 s LYS 57 CO 0.28 -0.71 1.10 0.14 -0.92 0.00 0.00 175.35 175.24 2k45 s VAL 58 N -1.49 4.47 -0.90 3.17 -7.23 -1.26 -4.72 120.40 112.43 2k45 s VAL 58 Ca 0.66 1.77 -0.13 0.00 -1.81 0.00 0.00 61.98 62.46 2k45 s VAL 58 Cb -0.31 -4.13 0.22 0.00 0.56 0.00 0.00 36.38 32.71 2k45 s VAL 58 CO 0.38 0.09 0.88 -1.00 -0.31 0.00 0.00 175.10 175.14 2k45 s HIS 59 N 1.44 3.82 -0.01 2.82 0.09 -0.92 -4.96 115.29 117.56 2k45 s HIS 59 Ca 0.54 -2.10 -0.30 0.00 -0.00 0.00 0.00 55.06 53.20 2k45 s HIS 59 Cb -0.24 -3.87 -0.06 0.00 -0.00 0.00 0.00 32.58 28.41 2k45 s HIS 59 CO 0.26 -1.03 1.47 -0.98 -0.00 0.00 0.00 174.74 174.46 2k45 s ARG 60 N 0.09 4.25 -0.78 1.40 1.04 -1.26 -3.28 118.95 120.40 2k45 s ARG 60 Ca 0.22 2.04 -0.00 0.00 -1.04 0.00 0.00 55.73 56.95 2k45 s ARG 60 Cb -0.09 -3.66 -0.00 0.00 -2.04 0.00 0.00 34.95 29.15 2k45 s ARG 60 CO -0.09 -0.66 0.65 1.63 -0.04 0.00 0.00 175.30 176.80 2k45 n LYS 61 N 5.81 -4.16 -3.69 3.89 4.76 -0.78 -4.98 118.16 119.01 2k45 n LYS 61 Ca 0.14 0.56 -0.10 0.00 -2.87 0.00 0.00 58.31 56.04 2k45 n LYS 61 Cb 0.43 -4.69 -0.11 0.00 -1.84 0.00 0.00 35.03 28.82 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 -3.24 -0.16 -0.71 -0.18 -4.23 -0.32 -4.80 115.64 101.99 2k45 s THR 62 Ca 0.02 0.12 0.26 0.00 -1.18 0.00 0.00 61.69 60.91 2k45 s THR 62 Cb -0.00 -0.60 0.21 0.00 1.34 0.00 0.00 72.50 73.45 2k45 s THR 62 CO 0.48 0.05 1.63 0.18 -0.54 0.00 0.00 174.62 176.42 2k45 n LEU 63 N 4.53 0.76 -3.39 4.79 4.32 -1.26 -3.79 117.00 122.95 2k45 n LEU 63 Ca -0.20 0.46 -0.26 0.00 -0.02 0.00 0.00 56.01 55.98 2k45 n LEU 63 Cb 0.54 -0.28 -0.09 0.00 -1.62 0.00 0.00 43.42 41.97 2k45 n LEU 63 CO 0.07 -0.13 -0.25 -3.20 -1.22 0.00 0.00 177.39 172.65 2k45 n ASN 64 N -2.19 0.40 -4.87 -1.43 4.05 -1.26 0.93 115.26 110.88 2k45 n ASN 64 Ca 0.05 -2.64 -0.33 0.00 0.45 0.00 0.00 54.58 52.11 2k45 n ASN 64 Cb 0.43 -0.61 -0.05 0.00 1.23 0.00 0.00 39.78 40.78 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 -0.66 3.79 -0.26 1.20 0.04 -1.09 -4.84 135.00 133.18 2k45 s PRO 65 Ca 0.33 0.23 0.01 0.00 0.04 0.00 0.00 61.00 61.61 2k45 s PRO 65 Cb 0.08 -2.86 0.07 0.00 0.04 0.00 0.00 34.50 31.83 2k45 s PRO 65 CO -0.16 0.46 -0.02 0.54 0.04 0.00 0.00 177.00 177.86 2k45 s VAL 66 N -1.57 1.61 -0.19 -0.36 0.11 -1.26 -2.24 120.40 116.50 2k45 s VAL 66 Ca 0.39 -1.45 -0.08 0.00 -2.93 0.00 0.00 61.98 57.91 2k45 s VAL 66 Cb -0.13 -1.96 -0.21 0.00 -1.53 0.00 0.00 36.38 32.55 2k45 s VAL 66 CO 0.20 -0.25 0.09 0.33 -3.33 0.00 0.00 175.10 172.15 2k45 n PHE 67 N 4.61 0.73 -2.76 1.54 -0.00 0.14 -4.90 117.46 116.82 2k45 n PHE 67 Ca -0.08 0.19 -0.06 0.00 -0.00 0.00 0.00 57.45 57.50 2k45 n PHE 67 Cb 0.43 -1.09 0.01 0.00 -0.00 0.00 0.00 39.48 38.83 2k45 n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k45 n ASN 68 N -3.67 -7.43 -4.22 -2.13 5.15 0.13 -5.00 115.26 98.09 2k45 n ASN 68 Ca -0.38 0.41 -0.34 0.00 -0.60 0.00 0.00 54.58 53.66 2k45 n ASN 68 Cb 0.95 -5.01 -0.15 0.00 -0.53 0.00 0.00 39.78 35.04 2k45 n ASN 68 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k45 s GLU 69 N -2.55 3.18 -0.44 1.20 0.41 -1.21 -4.79 118.70 114.50 2k45 s GLU 69 Ca 0.19 -0.73 -0.29 0.00 -0.41 0.00 0.00 54.97 53.74 2k45 s GLU 69 Cb -0.05 -2.80 0.01 0.00 -1.78 0.00 0.00 34.13 29.51 2k45 s GLU 69 CO 0.70 -0.21 1.41 -1.14 -0.49 0.00 0.00 175.26 175.53 2k45 s GLN 70 N 1.38 3.52 -0.68 1.61 -0.44 -1.26 -1.61 119.66 122.18 2k45 s GLN 70 Ca 0.05 0.83 -0.20 0.00 -2.50 0.00 0.00 55.36 53.55 2k45 s GLN 70 Cb -0.14 -4.04 0.11 0.00 -1.64 0.00 0.00 33.01 27.30 2k45 s GLN 70 CO -0.08 -1.64 0.85 -0.06 0.50 0.00 0.00 175.29 174.86 2k45 s PHE 71 N 5.54 2.97 0.00 1.67 0.08 -0.55 -4.75 117.98 122.94 2k45 s PHE 71 Ca 0.59 -0.98 -0.30 0.00 0.12 0.00 0.00 56.93 56.37 2k45 s PHE 71 Cb -0.13 -4.13 -0.07 0.00 -0.57 0.00 0.00 43.02 38.13 2k45 s PHE 71 CO 0.31 -1.41 1.69 0.99 -0.10 0.00 0.00 175.22 176.70 2k45 s THR 72 N 2.93 3.32 -0.70 0.64 2.01 -1.26 -3.56 115.64 119.03 2k45 s THR 72 Ca 0.18 0.55 -0.03 0.00 0.31 0.00 0.00 61.69 62.70 2k45 s THR 72 Cb -0.18 -3.35 0.18 0.00 0.01 0.00 0.00 72.50 69.15 2k45 s THR 72 CO 0.04 -0.03 0.53 -0.36 -0.69 0.00 0.00 174.62 174.11 2k45 s PHE 73 N 3.58 3.52 -1.51 4.92 0.08 0.19 -4.77 117.98 123.98 2k45 s PHE 73 Ca 0.75 -2.74 -0.13 0.00 0.12 0.00 0.00 56.93 54.93 2k45 s PHE 73 Cb -0.37 -3.24 0.00 0.00 -0.57 0.00 0.00 43.02 38.84 2k45 s PHE 73 CO 0.32 -0.82 2.45 1.63 -0.10 0.00 0.00 175.22 178.70 2k45 n LYS 74 N 3.26 3.11 -3.71 0.44 5.02 -1.26 -1.84 118.16 123.17 2k45 n LYS 74 Ca 0.11 -2.48 -0.16 0.00 -2.02 0.00 0.00 58.31 53.76 2k45 n LYS 74 Cb 0.38 -3.14 -0.16 0.00 -0.02 0.00 0.00 35.03 32.09 2k45 n LYS 74 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2k45 s VAL 75 N 2.89 -0.13 0.62 -0.18 0.11 -1.26 -4.61 120.40 117.85 2k45 s VAL 75 Ca 0.54 0.31 -0.18 0.00 -2.93 0.00 0.00 61.98 59.71 2k45 s VAL 75 Cb 0.15 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.77 2k45 s VAL 75 CO -0.08 0.13 1.00 -2.65 -3.33 0.00 0.00 175.10 170.16 2k45 n PRO 76 N 4.81 0.87 -0.09 1.54 -0.02 -0.69 -4.23 135.00 137.20 2k45 n PRO 76 Ca -0.14 0.34 -0.04 0.00 -2.02 0.00 0.00 63.50 61.64 2k45 n PRO 76 Cb 0.50 -2.22 0.17 0.00 -0.02 0.00 0.00 33.50 31.93 2k45 n PRO 76 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2k45 h TYR 77 N 0.39 0.81 -0.52 6.00 3.20 -1.96 0.90 116.97 125.79 2k45 h TYR 77 Ca -0.49 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 61.28 2k45 h TYR 77 Cb 1.36 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 2k45 h TYR 77 CO 0.37 0.77 0.35 0.66 -1.64 0.00 0.00 178.16 178.67 2k45 h SER 78 N 0.70 0.54 1.23 -2.11 4.64 -1.98 -2.57 113.55 114.00 2k45 h SER 78 Ca 0.13 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 2k45 h SER 78 Cb 0.48 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2k45 h SER 78 CO 0.02 0.38 -0.79 -0.33 -0.87 0.00 0.00 176.83 175.25 2k45 h GLU 79 N 0.64 0.00 -0.24 4.77 4.39 -1.13 -3.33 114.58 119.67 2k45 h GLU 79 Ca 0.20 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 2k45 h GLU 79 Cb 0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2k45 h GLU 79 CO -0.05 0.11 0.04 1.25 -1.16 0.00 0.00 179.01 179.20 2k45 h LEU 80 N 0.00 0.32 -0.77 1.33 6.46 0.11 -1.87 115.31 120.88 2k45 h LEU 80 Ca -0.03 -0.04 0.18 0.00 -0.12 0.00 0.00 57.88 57.88 2k45 h LEU 80 Cb 1.15 -0.08 -0.13 0.00 -0.73 0.00 0.00 40.66 40.87 2k45 h LEU 80 CO 0.02 0.34 0.10 1.23 -0.62 0.00 0.00 178.44 179.50 2k45 h GLY 81 N 0.58 1.00 1.47 3.75 0.00 -1.67 -0.89 103.07 107.32 2k45 h GLY 81 Ca 0.08 0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.35 2k45 h GLY 81 CO -0.00 -0.28 -0.27 -1.33 0.00 0.00 0.00 176.54 174.66 2k45 h GLY 82 N 0.17 0.65 -2.81 4.60 0.00 -1.59 -3.39 103.07 100.70 2k45 h GLY 82 Ca 0.44 -0.56 -0.49 0.00 0.00 0.00 0.00 47.33 46.72 2k45 h GLY 82 CO -0.62 0.51 0.10 0.54 0.00 0.00 0.00 176.54 177.07 2k45 s LYS 83 N -4.49 3.96 -0.14 4.80 -0.14 -0.34 -5.00 119.74 118.39 2k45 s LYS 83 Ca -0.08 0.63 0.00 0.00 -1.36 0.00 0.00 55.97 55.16 2k45 s LYS 83 Cb 0.13 -2.42 -0.01 0.00 -1.68 0.00 0.00 37.83 33.85 2k45 s LYS 83 CO 0.81 0.12 -0.14 0.95 -0.76 0.00 0.00 175.35 176.33 2k45 s THR 84 N -2.06 2.87 -0.08 2.17 -4.23 -1.26 -2.40 115.64 110.65 2k45 s THR 84 Ca 0.54 -0.72 -0.22 0.00 -1.18 0.00 0.00 61.69 60.11 2k45 s THR 84 Cb -0.10 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 2k45 s THR 84 CO 0.20 0.52 0.64 -0.22 -0.54 0.00 0.00 174.62 175.22 2k45 s LEU 85 N 0.51 4.30 -0.06 4.79 2.96 0.13 -1.18 118.68 130.13 2k45 s LEU 85 Ca -0.10 1.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.90 2k45 s LEU 85 Cb -0.16 -2.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 2k45 s LEU 85 CO 0.04 -0.09 -0.06 0.68 -1.32 0.00 0.00 176.35 175.60 2k45 s VAL 86 N 0.79 3.77 -0.08 1.68 -7.23 0.30 -2.26 120.40 117.38 2k45 s VAL 86 Ca 0.34 -0.49 -0.01 0.00 -1.81 0.00 0.00 61.98 60.01 2k45 s VAL 86 Cb -0.17 -2.56 0.03 0.00 0.56 0.00 0.00 36.38 34.23 2k45 s VAL 86 CO 0.16 0.57 -0.03 -0.04 -0.31 0.00 0.00 175.10 175.45 2k45 s MET 87 N -0.91 0.95 -0.21 4.82 -1.94 -1.26 -0.89 119.30 119.87 2k45 s MET 87 Ca 0.13 -0.04 0.01 0.00 -1.71 0.00 0.00 55.69 54.08 2k45 s MET 87 Cb -0.11 -1.17 0.05 0.00 2.01 0.00 0.00 34.83 35.61 2k45 s MET 87 CO 0.02 -0.26 -0.09 0.00 -0.01 0.00 0.00 175.02 174.69 2k45 s ALA 88 N 1.76 1.96 -0.31 3.03 0.00 0.37 -0.10 121.76 128.47 2k45 s ALA 88 Ca 0.03 -1.23 -0.24 0.00 0.00 0.00 0.00 51.96 50.52 2k45 s ALA 88 Cb -0.13 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.68 2k45 s ALA 88 CO -0.06 -0.93 0.81 0.08 0.00 0.00 0.00 175.76 175.66 2k45 s VAL 89 N 1.41 4.77 -0.06 0.00 1.01 -0.89 0.78 120.40 127.42 2k45 s VAL 89 Ca -0.03 1.18 0.05 0.00 0.00 0.00 0.00 61.98 63.19 2k45 s VAL 89 Cb -0.17 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 2k45 s VAL 89 CO -0.07 -0.29 -0.21 -0.31 0.00 0.00 0.00 175.10 174.21 2k45 s TYR 90 N 3.02 2.14 -0.15 5.22 1.51 0.33 -0.15 117.35 129.28 2k45 s TYR 90 Ca 0.33 -0.67 -0.11 0.00 -1.01 0.00 0.00 57.07 55.61 2k45 s TYR 90 Cb -0.14 -1.42 -0.05 0.00 -0.11 0.00 0.00 41.96 40.24 2k45 s TYR 90 CO 0.13 -0.23 0.22 0.34 -1.11 0.00 0.00 175.55 174.91 2k45 s ASP 91 N 0.01 6.39 -0.70 2.29 2.15 -1.25 -2.12 116.67 123.45 2k45 s ASP 91 Ca -0.06 0.46 -0.27 0.00 0.43 0.00 0.00 52.55 53.10 2k45 s ASP 91 Cb -0.14 -2.14 0.03 0.00 -0.30 0.00 0.00 42.92 40.38 2k45 s ASP 91 CO 0.04 0.21 1.25 0.12 -0.17 0.00 0.00 175.17 176.62 2k45 s PHE 92 N -0.04 2.37 -0.48 -5.34 5.36 -1.14 -3.95 117.98 114.76 2k45 s PHE 92 Ca 0.14 0.05 0.07 0.00 -0.96 0.00 0.00 56.93 56.23 2k45 s PHE 92 Cb -0.12 -4.59 0.47 0.00 -0.34 0.00 0.00 43.02 38.43 2k45 s PHE 92 CO 0.03 -1.95 1.32 -0.40 -1.46 0.00 0.00 175.22 172.76 2k45 n ASP 93 N 9.11 3.73 0.00 6.13 5.75 -1.26 -4.50 116.55 135.52 2k45 n ASP 93 Ca 0.04 -2.66 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 2k45 n ASP 93 Cb 0.49 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 2k45 n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2k45 n ARG 94 N 0.15 -0.19 0.00 0.11 1.74 -1.26 -4.26 116.66 112.95 2k45 n ARG 94 Ca 0.22 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 2k45 n ARG 94 Cb 0.92 -4.42 0.00 0.00 -1.02 0.00 0.00 32.46 27.94 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 -2.01 0.00 -3.35 -1.55 3.72 -1.26 -5.05 117.46 107.96 2k45 n PHE 95 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 2k45 n PHE 95 Cb 0.05 0.24 -0.01 0.00 -0.94 0.00 0.00 39.48 38.83 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 -1.73 6.15 -0.50 4.37 1.04 -1.26 -5.05 113.70 116.72 2k45 s SER 96 Ca 0.00 0.31 -0.22 0.00 0.48 0.00 0.00 55.95 56.52 2k45 s SER 96 Cb 0.00 -1.82 0.04 0.00 0.10 0.00 0.00 66.02 64.35 2k45 s SER 96 CO 0.00 -0.39 0.76 -0.54 0.98 0.00 0.00 173.24 174.06 2k45 s LYS 97 N -4.33 3.27 -0.53 4.02 1.02 -1.26 -4.16 119.74 117.77 2k45 s LYS 97 Ca 0.42 -0.44 -0.17 0.00 0.02 0.00 0.00 55.97 55.80 2k45 s LYS 97 Cb -0.10 -4.03 0.09 0.00 -0.52 0.00 0.00 37.83 33.28 2k45 s LYS 97 CO 0.35 -1.25 0.57 -3.38 -0.92 0.00 0.00 175.35 170.72 2k45 s HIS 98 N 3.23 3.13 -0.97 3.18 0.00 -1.26 -5.05 115.29 117.55 2k45 s HIS 98 Ca 0.24 -0.93 -0.14 0.00 -3.00 0.00 0.00 55.06 51.23 2k45 s HIS 98 Cb -0.15 -3.66 0.20 0.00 -4.00 0.00 0.00 32.58 24.98 2k45 s HIS 98 CO 0.18 -1.05 1.04 0.16 -1.00 0.00 0.00 174.74 174.07 2k45 s ASP 99 N 3.17 6.89 -0.41 7.38 1.47 -1.25 -4.68 116.67 129.22 2k45 s ASP 99 Ca 0.09 -2.75 -0.18 0.00 1.18 0.00 0.00 52.55 50.88 2k45 s ASP 99 Cb -0.24 -2.29 0.02 0.00 -0.34 0.00 0.00 42.92 40.06 2k45 s ASP 99 CO 0.07 -0.68 0.51 -0.51 0.68 0.00 0.00 175.17 175.24 2k45 s ILE 100 N 0.79 4.99 -0.02 2.11 2.07 -1.26 -3.82 121.20 126.07 2k45 s ILE 100 Ca 0.28 -0.09 -0.02 0.00 -1.41 0.00 0.00 60.65 59.42 2k45 s ILE 100 Cb -0.07 -4.08 -0.01 0.00 0.13 0.00 0.00 42.46 38.43 2k45 s ILE 100 CO -0.08 -0.44 -0.03 -0.38 -1.91 0.00 0.00 174.94 172.10 2k45 n ILE 101 N 5.57 0.14 -2.94 2.00 2.08 -0.57 -4.24 119.36 121.39 2k45 n ILE 101 Ca -0.05 0.44 0.00 0.00 0.56 0.00 0.00 62.75 63.70 2k45 n ILE 101 Cb 0.48 -1.55 0.00 0.00 -0.75 0.00 0.00 39.64 37.81 2k45 n ILE 101 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2k45 n GLY 102 N 1.60 0.99 3.77 7.39 0.00 0.79 -4.03 105.19 115.71 2k45 n GLY 102 Ca -0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 46.02 45.35 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 0.75 1.11 0.38 1.61 2.12 0.40 -2.10 118.70 122.97 2k45 s GLU 103 Ca 0.00 -0.64 0.07 0.00 0.36 0.00 0.00 54.97 54.76 2k45 s GLU 103 Cb 0.00 0.36 -0.07 0.00 0.26 0.00 0.00 34.13 34.67 2k45 s GLU 103 CO 0.00 -0.51 -0.00 -0.59 -0.54 0.00 0.00 175.26 173.62 2k45 s PHE 104 N -2.88 2.37 -0.14 5.30 -0.71 0.86 0.27 117.98 123.05 2k45 s PHE 104 Ca 0.15 -0.69 -0.04 0.00 -1.04 0.00 0.00 56.93 55.31 2k45 s PHE 104 Cb -0.01 -1.59 0.07 0.00 -1.21 0.00 0.00 43.02 40.28 2k45 s PHE 104 CO 0.02 0.38 0.21 0.21 -1.34 0.00 0.00 175.22 174.70 2k45 s LYS 105 N -3.73 0.12 -0.32 1.99 2.47 -1.26 -4.81 119.74 114.20 2k45 s LYS 105 Ca 0.34 0.46 0.00 0.00 -1.56 0.00 0.00 55.97 55.22 2k45 s LYS 105 Cb 0.08 -0.59 0.14 0.00 -1.46 0.00 0.00 37.83 36.00 2k45 s LYS 105 CO 0.17 -0.44 0.30 0.08 0.16 0.00 0.00 175.35 175.62 2k45 s VAL 106 N 2.34 -0.28 -0.05 4.02 1.01 -0.96 -5.05 120.40 121.43 2k45 s VAL 106 Ca 0.04 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 2k45 s VAL 106 Cb -0.13 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2k45 s VAL 106 CO -0.09 -0.59 1.31 -2.16 0.00 0.00 0.00 175.10 173.57 2k45 s PRO 107 N 1.89 4.30 0.43 2.72 0.04 -1.26 0.22 135.00 143.34 2k45 s PRO 107 Ca 0.13 1.81 0.09 0.00 0.04 0.00 0.00 61.00 63.07 2k45 s PRO 107 Cb -0.16 -3.60 0.94 0.00 0.04 0.00 0.00 34.50 31.72 2k45 s PRO 107 CO -0.20 -0.55 2.06 0.52 0.04 0.00 0.00 177.00 178.88 2k45 h MET 108 N 7.78 0.44 0.00 4.56 2.86 -1.69 -0.86 114.93 128.03 2k45 h MET 108 Ca -0.35 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.19 2k45 h MET 108 Cb 1.16 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 2k45 h MET 108 CO 0.90 0.29 -0.35 -2.95 1.06 0.00 0.00 176.91 175.87 2k45 h ASN 109 N 0.46 0.00 0.64 1.22 7.08 -1.63 -3.10 115.58 120.25 2k45 h ASN 109 Ca 0.15 0.00 -0.17 0.00 -3.08 0.00 0.00 56.30 53.20 2k45 h ASN 109 Cb 0.04 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.25 2k45 h ASN 109 CO -0.03 0.35 -1.48 0.41 -2.08 0.00 0.00 177.43 174.60 2k45 n THR 110 N -3.76 1.13 -3.23 6.14 -1.04 -0.35 -4.73 114.28 108.44 2k45 n THR 110 Ca -0.01 -0.69 -0.40 0.00 -2.04 0.00 0.00 64.05 60.91 2k45 n THR 110 Cb 0.44 -0.68 -0.08 0.00 -1.82 0.00 0.00 70.33 68.19 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 -2.94 5.04 -0.45 12.58 1.01 -1.06 -5.02 120.40 129.55 2k45 s VAL 111 Ca -0.03 0.69 -0.29 0.00 0.00 0.00 0.00 61.98 62.35 2k45 s VAL 111 Cb 0.09 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.60 2k45 s VAL 111 CO 0.82 -0.03 1.34 -0.62 0.00 0.00 0.00 175.10 176.60 2k45 s ASP 112 N 1.63 6.39 -0.93 3.32 2.15 -1.26 -4.87 116.67 123.10 2k45 s ASP 112 Ca 0.21 0.66 0.00 0.00 0.43 0.00 0.00 52.55 53.85 2k45 s ASP 112 Cb -0.15 -2.54 0.32 0.00 -0.30 0.00 0.00 42.92 40.25 2k45 s ASP 112 CO 0.11 -1.42 1.63 0.49 -0.17 0.00 0.00 175.17 175.81 2k45 n PHE 113 N 8.64 3.07 -0.03 -5.34 3.72 -1.26 -4.70 117.46 121.56 2k45 n PHE 113 Ca 0.15 -2.89 -0.09 0.00 -0.05 0.00 0.00 57.45 54.57 2k45 n PHE 113 Cb 0.48 -1.04 -0.08 0.00 -0.94 0.00 0.00 39.48 37.91 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 3.93 -0.07 0.00 1.37 0.00 -1.96 -3.45 103.07 102.90 2k45 h GLY 114 Ca 0.45 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.80 2k45 h GLY 114 CO 1.10 -0.02 0.00 1.42 0.00 0.00 0.00 176.54 179.03 2k45 n HIS 115 N -4.75 0.00 -4.09 5.60 8.25 -1.26 -4.77 115.22 114.20 2k45 n HIS 115 Ca -0.07 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.05 2k45 n HIS 115 Cb 0.28 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.25 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 1.83 3.04 -0.52 1.59 1.01 -1.26 -3.20 120.40 122.88 2k45 s VAL 116 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 2k45 s VAL 116 Cb 0.00 -2.35 0.06 0.00 0.00 0.00 0.00 36.38 34.09 2k45 s VAL 116 CO 0.00 0.46 0.70 -0.89 0.00 0.00 0.00 175.10 175.37 2k45 s THR 117 N 1.26 4.77 -0.32 3.92 2.01 0.21 -4.84 115.64 122.64 2k45 s THR 117 Ca 0.03 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 2k45 s THR 117 Cb -0.14 -4.37 0.04 0.00 0.01 0.00 0.00 72.50 68.05 2k45 s THR 117 CO -0.04 -0.90 0.05 -1.83 -0.69 0.00 0.00 174.62 171.21 2k45 s GLU 118 N 2.90 2.55 0.18 4.92 -1.05 -1.26 0.93 118.70 127.88 2k45 s GLU 118 Ca 0.18 -1.20 -0.22 0.00 -0.15 0.00 0.00 54.97 53.57 2k45 s GLU 118 Cb -0.18 -3.32 0.06 0.00 -0.44 0.00 0.00 34.13 30.24 2k45 s GLU 118 CO 0.13 -0.63 0.61 -1.83 0.95 0.00 0.00 175.26 174.49 2k45 s GLU 119 N 1.34 1.38 -0.50 -4.83 4.04 -0.04 -4.95 118.70 115.14 2k45 s GLU 119 Ca -0.03 -0.60 -0.21 0.00 0.04 0.00 0.00 54.97 54.17 2k45 s GLU 119 Cb -0.19 0.59 0.05 0.00 0.02 0.00 0.00 34.13 34.59 2k45 s GLU 119 CO 0.01 -0.61 0.73 -1.58 -1.84 0.00 0.00 175.26 171.97 2k45 s TRP 120 N -3.79 2.97 -0.14 4.83 0.23 -1.26 -2.47 118.94 119.31 2k45 s TRP 120 Ca 0.03 -0.26 -0.04 0.00 -2.03 0.00 0.00 56.10 53.80 2k45 s TRP 120 Cb -0.02 -3.67 -0.03 0.00 0.03 0.00 0.00 33.47 29.78 2k45 s TRP 120 CO -0.08 -1.10 0.01 0.50 0.96 0.00 0.00 176.95 177.24 2k45 s ARG 121 N 3.09 3.57 -0.10 4.98 6.06 -0.75 -4.93 118.95 130.86 2k45 s ARG 121 Ca 0.22 -0.43 -0.19 0.00 -2.50 0.00 0.00 55.73 52.82 2k45 s ARG 121 Cb -0.16 -2.97 -0.04 0.00 0.06 0.00 0.00 34.95 31.84 2k45 s ARG 121 CO 0.16 0.39 0.53 0.16 -2.50 0.00 0.00 175.30 174.04 2k45 s ASP 122 N -0.01 6.76 -0.22 -2.12 -4.77 -1.26 0.10 116.67 115.15 2k45 s ASP 122 Ca 0.03 0.91 -0.16 0.00 -3.30 0.00 0.00 52.55 50.03 2k45 s ASP 122 Cb -0.13 -2.32 -0.04 0.00 -1.09 0.00 0.00 42.92 39.35 2k45 s ASP 122 CO 0.02 -0.02 0.42 -0.76 0.70 0.00 0.00 175.17 175.53 2k45 s LEU 123 N 0.63 4.12 -0.03 2.11 1.43 -1.08 -4.60 118.68 121.26 2k45 s LEU 123 Ca 0.29 0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.87 2k45 s LEU 123 Cb -0.16 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 2k45 s LEU 123 CO 0.12 -0.14 0.05 0.00 0.23 0.00 0.00 176.35 176.62 2k45 s GLN 124 N 1.62 3.03 -0.13 1.70 -2.07 0.14 -2.79 119.66 121.16 2k45 s GLN 124 Ca 0.19 -0.45 -0.29 0.00 -1.82 0.00 0.00 55.36 52.98 2k45 s GLN 124 Cb -0.15 -2.84 -0.02 0.00 -1.09 0.00 0.00 33.01 28.90 2k45 s GLN 124 CO 0.09 0.67 1.33 0.45 -1.32 0.00 0.00 175.29 176.50 2k45 s SER 125 N -1.43 6.90 0.01 12.60 0.15 -1.26 0.15 113.70 130.83 2k45 s SER 125 Ca 0.19 1.80 -0.07 0.00 0.70 0.00 0.00 55.95 58.57 2k45 s SER 125 Cb -0.12 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 2k45 s SER 125 CO 0.09 -0.77 0.29 0.00 1.20 0.00 0.00 173.24 174.05 2k45 s ALA 126 N 3.45 3.82 -0.97 5.45 0.00 -1.26 -4.58 121.76 127.67 2k45 s ALA 126 Ca 0.58 -0.53 -0.13 0.00 0.00 0.00 0.00 51.96 51.89 2k45 s ALA 126 Cb -0.24 -2.11 0.23 0.00 0.00 0.00 0.00 23.12 21.00 2k45 s ALA 126 CO 0.18 0.63 0.97 -2.00 0.00 0.00 0.00 175.76 175.53 2k45 s GLU 127 N -1.72 3.87 0.00 0.00 2.12 -1.26 -4.52 118.70 117.18 2k45 s GLU 127 Ca 0.28 -2.71 0.07 0.00 0.36 0.00 0.00 54.97 52.97 2k45 s GLU 127 Cb -0.13 -4.56 0.05 0.00 0.26 0.00 0.00 34.13 29.75 2k45 s GLU 127 CO 0.16 -1.34 0.71 1.17 -0.54 0.00 0.00 175.26 175.42