#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bkf s VAL 2 N 0.00 0.28 -0.07 1.61 0.11 -1.26 -1.07 120.40 120.00 1bkf s VAL 2 Ca 0.00 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 1bkf s VAL 2 Cb 0.00 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.57 1bkf s VAL 2 CO 0.00 0.09 -0.05 -1.10 -3.33 0.00 0.00 175.10 170.71 1bkf s GLN 3 N 0.01 2.81 -0.16 1.54 -0.21 0.01 -4.93 119.66 118.73 1bkf s GLN 3 Ca 0.00 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 54.87 1bkf s GLN 3 Cb -0.03 -2.64 0.02 0.00 1.00 0.00 0.00 33.01 31.37 1bkf s GLN 3 CO -0.00 0.67 -0.16 0.08 -2.12 0.00 0.00 175.29 173.76 1bkf s VAL 4 N -0.81 1.71 -0.10 1.09 1.01 -1.26 -0.78 120.40 121.26 1bkf s VAL 4 Ca 0.12 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1bkf s VAL 4 Cb -0.11 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1bkf s VAL 4 CO 0.02 0.46 -0.14 -1.61 0.00 0.00 0.00 175.10 173.82 1bkf s GLU 5 N 1.43 3.09 -0.13 2.72 2.02 -0.36 -4.97 118.70 122.49 1bkf s GLU 5 Ca 0.05 -0.70 -0.15 0.00 0.02 0.00 0.00 54.97 54.18 1bkf s GLU 5 Cb -0.13 -2.53 -0.05 0.00 0.10 0.00 0.00 34.13 31.52 1bkf s GLU 5 CO -0.11 0.34 0.37 0.99 0.02 0.00 0.00 175.26 176.87 1bkf s THR 6 N 0.01 5.24 -0.18 3.63 2.01 -1.26 -1.00 115.64 124.09 1bkf s THR 6 Ca -0.04 0.73 -0.19 0.00 0.31 0.00 0.00 61.69 62.49 1bkf s THR 6 Cb -0.14 -3.71 -0.21 0.00 0.01 0.00 0.00 72.50 68.45 1bkf s THR 6 CO 0.04 0.38 0.29 0.40 -0.69 0.00 0.00 174.62 175.05 1bkf h ILE 7 N 4.60 0.92 -3.63 1.82 2.04 -1.16 -3.48 117.51 118.62 1bkf h ILE 7 Ca -0.42 -2.23 -0.33 0.00 1.00 0.00 0.00 64.86 62.88 1bkf h ILE 7 Cb 1.18 2.36 -0.32 0.00 -0.74 0.00 0.00 36.82 39.30 1bkf h ILE 7 CO 0.74 0.45 -0.75 -0.44 0.00 0.00 0.00 178.15 178.15 1bkf s SER 8 N -6.87 0.45 0.63 1.72 0.01 -0.78 -4.96 113.70 103.90 1bkf s SER 8 Ca -0.27 -0.05 -0.16 0.00 1.31 0.00 0.00 55.95 56.79 1bkf s SER 8 Cb 0.05 -0.17 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 1bkf s SER 8 CO 0.64 -0.04 1.12 -2.16 0.41 0.00 0.00 173.24 173.20 1bkf s PRO 9 N 0.58 2.91 0.00 12.44 0.04 -1.26 -1.12 135.00 148.59 1bkf s PRO 9 Ca -0.06 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1bkf s PRO 9 Cb -0.09 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1bkf s PRO 9 CO -0.01 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.27 1bkf n GLY 10 N -0.37 1.15 0.00 0.56 0.00 -1.26 -4.09 105.19 101.18 1bkf n GLY 10 Ca 0.11 -1.87 0.14 0.00 0.00 0.00 0.00 46.02 44.40 1bkf n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bkf n ASP 11 N 0.00 0.01 -0.45 1.61 5.68 0.10 -4.85 116.55 118.66 1bkf n ASP 11 Ca 0.00 0.32 -0.06 0.00 -0.50 0.00 0.00 54.79 54.55 1bkf n ASP 11 Cb 0.00 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 39.53 1bkf n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bkf n GLY 12 N 1.45 0.82 0.72 6.12 0.00 -1.26 -4.74 105.19 108.30 1bkf n GLY 12 Ca 0.09 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1bkf n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bkf n ARG 13 N -2.58 0.00 -3.34 1.61 0.63 -1.26 -5.03 116.66 106.69 1bkf n ARG 13 Ca -0.06 0.00 -0.46 0.00 -0.92 0.00 0.00 57.85 56.41 1bkf n ARG 13 Cb 0.22 -0.29 -0.04 0.00 0.45 0.00 0.00 32.46 32.80 1bkf n ARG 13 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1bkf s THR 14 N -1.36 5.23 -0.03 5.15 2.01 -1.26 -5.05 115.64 120.33 1bkf s THR 14 Ca 0.00 -1.85 0.01 0.00 0.31 0.00 0.00 61.69 60.16 1bkf s THR 14 Cb 0.00 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 1bkf s THR 14 CO 0.00 -0.91 -0.01 -0.36 -0.69 0.00 0.00 174.62 172.65 1bkf s PHE 15 N 1.11 3.07 0.07 4.92 0.40 -1.26 -1.51 117.98 124.77 1bkf s PHE 15 Ca 0.08 0.09 -0.37 0.00 -0.60 0.00 0.00 56.93 56.13 1bkf s PHE 15 Cb -0.23 -1.69 -0.18 0.00 0.51 0.00 0.00 43.02 41.42 1bkf s PHE 15 CO -0.01 0.44 1.14 -2.30 0.70 0.00 0.00 175.22 175.19 1bkf n PRO 16 N 1.64 0.59 -4.22 0.24 -0.02 -1.26 -5.02 135.00 126.95 1bkf n PRO 16 Ca -0.16 0.21 -0.25 0.00 -2.02 0.00 0.00 63.50 61.29 1bkf n PRO 16 Cb 0.53 -1.73 -0.07 0.00 -0.02 0.00 0.00 33.50 32.21 1bkf n PRO 16 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1bkf s LYS 17 N 0.04 2.45 0.34 -0.52 -0.14 -1.26 -4.92 119.74 115.73 1bkf s LYS 17 Ca 0.84 -1.21 -0.29 0.00 -1.36 0.00 0.00 55.97 53.96 1bkf s LYS 17 Cb -1.07 -2.32 -0.11 0.00 -1.68 0.00 0.00 37.83 32.65 1bkf s LYS 17 CO 0.53 0.41 1.46 0.50 -0.76 0.00 0.00 175.35 177.49 1bkf s ARG 18 N -3.35 4.18 -0.51 1.68 3.52 -1.26 -1.06 118.95 122.16 1bkf s ARG 18 Ca 0.30 2.46 0.00 0.00 -0.13 0.00 0.00 55.73 58.36 1bkf s ARG 18 Cb -0.08 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 1bkf s ARG 18 CO 0.20 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 174.64 1bkf n GLY 19 N 0.98 0.71 3.96 8.12 0.00 -0.92 -5.00 105.19 113.04 1bkf n GLY 19 Ca 0.02 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 1bkf n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bkf s GLN 20 N -1.88 3.32 -0.16 1.61 -0.21 -0.22 -4.93 119.66 117.19 1bkf s GLN 20 Ca 0.00 -0.56 -0.22 0.00 0.02 0.00 0.00 55.36 54.60 1bkf s GLN 20 Cb 0.00 -2.71 -0.03 0.00 1.00 0.00 0.00 33.01 31.28 1bkf s GLN 20 CO 0.00 0.09 0.69 0.99 -2.12 0.00 0.00 175.29 174.94 1bkf s THR 21 N -2.29 5.00 -0.13 -0.19 2.01 -1.26 -2.77 115.64 116.00 1bkf s THR 21 Ca 0.42 1.34 -0.09 0.00 0.31 0.00 0.00 61.69 63.67 1bkf s THR 21 Cb -0.10 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1bkf s THR 21 CO 0.34 0.13 0.16 0.00 -0.69 0.00 0.00 174.62 174.56 1bkf s VAL 23 N -0.61 3.11 0.15 0.00 1.01 -0.49 -1.88 120.40 121.69 1bkf s VAL 23 Ca 0.14 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1bkf s VAL 23 Cb -0.12 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1bkf s VAL 23 CO 0.03 0.49 0.02 0.68 0.00 0.00 0.00 175.10 176.32 1bkf s VAL 24 N 0.88 0.44 -0.02 2.92 -7.23 -0.05 -1.12 120.40 116.23 1bkf s VAL 24 Ca -0.03 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1bkf s VAL 24 Cb -0.15 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 1bkf s VAL 24 CO 0.00 -0.48 -0.04 -1.00 -0.31 0.00 0.00 175.10 173.26 1bkf s HIS 25 N -3.81 2.97 0.09 2.82 3.76 -0.66 -1.06 115.29 119.40 1bkf s HIS 25 Ca 0.24 0.02 -0.10 0.00 -0.15 0.00 0.00 55.06 55.07 1bkf s HIS 25 Cb 0.07 -1.65 0.01 0.00 1.11 0.00 0.00 32.58 32.11 1bkf s HIS 25 CO 0.03 0.40 0.23 1.52 -0.85 0.00 0.00 174.74 176.06 1bkf s TYR 26 N -0.98 0.08 -0.04 1.40 1.13 -1.26 -0.97 117.35 116.71 1bkf s TYR 26 Ca 0.17 -0.47 0.02 0.00 -1.41 0.00 0.00 57.07 55.37 1bkf s TYR 26 Cb -0.11 -0.00 0.01 0.00 -1.10 0.00 0.00 41.96 40.76 1bkf s TYR 26 CO 0.07 -0.56 -0.07 0.95 -2.51 0.00 0.00 175.55 173.42 1bkf s THR 27 N -3.74 0.69 -0.12 -3.49 -4.23 -0.56 -1.92 115.64 102.27 1bkf s THR 27 Ca 0.04 -0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 60.22 1bkf s THR 27 Cb 0.04 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 73.19 1bkf s THR 27 CO -0.11 0.24 0.12 -0.83 -0.54 0.00 0.00 174.62 173.50 1bkf s GLY 28 N 0.51 2.11 0.04 3.99 0.00 -0.13 -1.32 107.32 112.51 1bkf s GLY 28 Ca -0.08 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1bkf s GLY 28 CO 0.01 -0.39 -0.05 1.06 0.00 0.00 0.00 173.10 173.73 1bkf s MET 29 N -0.96 0.51 0.77 2.90 -1.94 0.27 -0.79 119.30 120.04 1bkf s MET 29 Ca 0.14 -0.90 -0.11 0.00 -1.71 0.00 0.00 55.69 53.12 1bkf s MET 29 Cb -0.12 0.00 0.06 0.00 2.01 0.00 0.00 34.83 36.79 1bkf s MET 29 CO 0.04 -0.04 1.13 -0.51 -0.01 0.00 0.00 175.02 175.62 1bkf s LEU 30 N -2.07 2.65 0.28 -0.03 2.01 0.55 -0.52 118.68 121.54 1bkf s LEU 30 Ca -0.05 0.78 0.23 0.00 0.01 0.00 0.00 54.13 55.11 1bkf s LEU 30 Cb -0.03 -3.37 1.02 0.00 0.01 0.00 0.00 46.19 43.82 1bkf s LEU 30 CO -0.03 -1.72 1.71 1.21 1.01 0.00 0.00 176.35 178.52 1bkf n GLU 31 N -3.17 0.19 -0.14 1.70 4.07 -1.26 -0.73 120.64 121.31 1bkf n GLU 31 Ca 0.08 0.46 0.08 0.00 -0.06 0.00 0.00 57.16 57.72 1bkf n GLU 31 Cb 0.60 -1.90 0.26 0.00 -0.06 0.00 0.00 31.44 30.35 1bkf n GLU 31 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1bkf n ASP 32 N -2.26 1.92 0.00 4.31 5.75 -1.26 -4.90 116.55 120.10 1bkf n ASP 32 Ca 0.01 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1bkf n ASP 32 Cb 0.20 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1bkf n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bkf n GLY 33 N 1.13 0.06 3.63 6.12 0.00 0.09 -5.02 105.19 111.22 1bkf n GLY 33 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1bkf n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bkf s LYS 34 N -0.97 3.77 0.15 1.61 2.20 -1.25 -4.71 119.74 120.53 1bkf s LYS 34 Ca 0.00 2.10 -0.30 0.00 -0.36 0.00 0.00 55.97 57.40 1bkf s LYS 34 Cb 0.00 -4.16 -0.08 0.00 -1.51 0.00 0.00 37.83 32.09 1bkf s LYS 34 CO 0.00 -1.36 1.24 0.15 -0.36 0.00 0.00 175.35 175.02 1bkf s LYS 35 N 4.98 4.44 -0.01 4.03 3.01 -1.26 -0.33 119.74 134.60 1bkf s LYS 35 Ca 0.84 1.90 0.10 0.00 -1.01 0.00 0.00 55.97 57.81 1bkf s LYS 35 Cb -0.33 -3.26 -0.15 0.00 -1.01 0.00 0.00 37.83 33.08 1bkf s LYS 35 CO 0.35 -0.20 0.30 1.97 0.51 0.00 0.00 175.35 178.28 1bkf n PHE 36 N 3.05 0.00 -3.47 3.18 1.16 0.03 -4.91 117.46 116.50 1bkf n PHE 36 Ca 0.07 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.53 1bkf n PHE 36 Cb 0.44 -0.16 -0.03 0.00 -1.61 0.00 0.00 39.48 38.13 1bkf n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1bkf s ASP 37 N -2.78 -0.51 -0.30 5.98 2.15 -1.16 -4.99 116.67 115.06 1bkf s ASP 37 Ca -0.01 -0.04 -0.13 0.00 0.43 0.00 0.00 52.55 52.80 1bkf s ASP 37 Cb 0.07 0.57 0.16 0.00 -0.30 0.00 0.00 42.92 43.42 1bkf s ASP 37 CO 0.43 -0.94 0.88 -0.55 -0.17 0.00 0.00 175.17 174.82 1bkf s SER 38 N -2.71 -0.77 0.16 -0.34 0.15 -1.26 -0.96 113.70 107.97 1bkf s SER 38 Ca 0.01 1.01 -0.14 0.00 0.70 0.00 0.00 55.95 57.54 1bkf s SER 38 Cb -0.00 1.86 0.04 0.00 -1.71 0.00 0.00 66.02 66.21 1bkf s SER 38 CO -0.12 -0.15 1.72 0.77 1.20 0.00 0.00 173.24 176.66 1bkf h SER 39 N 7.68 0.70 -1.05 5.45 4.64 -1.69 -2.64 113.55 126.63 1bkf h SER 39 Ca -0.16 -0.16 0.27 0.00 -0.47 0.00 0.00 61.79 61.27 1bkf h SER 39 Cb 1.11 -0.18 -0.10 0.00 -0.31 0.00 0.00 62.40 62.93 1bkf h SER 39 CO 0.09 0.66 0.68 0.03 -0.87 0.00 0.00 176.83 177.42 1bkf h ARG 40 N 0.68 0.36 -0.07 4.77 -0.00 -1.75 -0.10 114.38 118.27 1bkf h ARG 40 Ca 0.17 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.63 1bkf h ARG 40 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.06 1bkf h ARG 40 CO -0.02 0.24 0.00 -0.25 0.00 0.00 0.00 179.97 179.94 1bkf n ASP 41 N -4.63 0.50 -0.15 7.04 9.92 -0.99 0.13 116.55 128.36 1bkf n ASP 41 Ca 0.26 -1.77 0.08 0.00 -0.53 0.00 0.00 54.79 52.83 1bkf n ASP 41 Cb 0.91 -0.05 0.11 0.00 -0.64 0.00 0.00 41.12 41.44 1bkf n ASP 41 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1bkf n LYS 42 N -0.34 1.06 0.00 -1.24 5.02 -0.07 -5.03 118.16 117.57 1bkf n LYS 42 Ca 0.08 -2.22 0.00 0.00 -2.02 0.00 0.00 58.31 54.16 1bkf n LYS 42 Cb 0.11 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1bkf n LYS 42 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1bkf n ASN 43 N -1.11 0.00 -3.42 4.39 3.02 0.12 -4.93 115.26 113.33 1bkf n ASN 43 Ca 0.12 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.36 1bkf n ASN 43 Cb 0.64 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.83 1bkf n ASN 43 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1bkf n LYS 44 N 0.00 0.00 -2.93 3.52 5.02 -1.26 -4.47 118.16 118.04 1bkf n LYS 44 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1bkf n LYS 44 Cb 0.00 -0.83 -0.04 0.00 -0.02 0.00 0.00 35.03 34.14 1bkf n LYS 44 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1bkf s PRO 45 N -1.29 3.87 0.03 1.97 0.04 -1.26 -4.10 135.00 134.25 1bkf s PRO 45 Ca 0.40 0.57 -0.15 0.00 0.04 0.00 0.00 61.00 61.86 1bkf s PRO 45 Cb -0.27 -2.39 -0.06 0.00 0.04 0.00 0.00 34.50 31.82 1bkf s PRO 45 CO 0.63 0.02 0.45 0.12 0.04 0.00 0.00 177.00 178.26 1bkf s PHE 46 N -2.24 3.73 -0.04 0.56 5.36 -0.22 -4.90 117.98 120.23 1bkf s PHE 46 Ca 0.53 1.05 0.06 0.00 -0.96 0.00 0.00 56.93 57.61 1bkf s PHE 46 Cb -0.10 -2.33 -0.01 0.00 -0.34 0.00 0.00 43.02 40.23 1bkf s PHE 46 CO 0.26 0.62 -0.21 0.15 -1.46 0.00 0.00 175.22 174.57 1bkf s LYS 47 N -1.17 2.03 0.23 10.12 1.02 -1.26 -0.87 119.74 129.84 1bkf s LYS 47 Ca 0.26 -0.76 -0.11 0.00 0.02 0.00 0.00 55.97 55.38 1bkf s LYS 47 Cb -0.17 -1.80 -0.01 0.00 -0.52 0.00 0.00 37.83 35.33 1bkf s LYS 47 CO 0.15 0.36 0.41 -0.59 -0.92 0.00 0.00 175.35 174.77 1bkf s PHE 48 N -0.21 0.49 -0.00 3.18 -0.71 -0.79 -4.96 117.98 114.97 1bkf s PHE 48 Ca 0.00 -0.82 0.07 0.00 -1.04 0.00 0.00 56.93 55.13 1bkf s PHE 48 Cb -0.11 0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.73 1bkf s PHE 48 CO 0.02 -0.92 -0.20 -1.64 -1.34 0.00 0.00 175.22 171.14 1bkf s MET 49 N -4.04 2.18 0.36 1.99 -1.94 -1.26 0.07 119.30 116.66 1bkf s MET 49 Ca 0.25 -0.90 -0.25 0.00 -1.71 0.00 0.00 55.69 53.08 1bkf s MET 49 Cb 0.01 -2.18 -0.10 0.00 2.01 0.00 0.00 34.83 34.57 1bkf s MET 49 CO 0.09 0.57 0.96 -0.51 -0.01 0.00 0.00 175.02 176.11 1bkf s LEU 50 N -0.97 4.22 -0.36 -0.03 1.02 -1.12 -4.26 118.68 117.19 1bkf s LEU 50 Ca 0.12 1.82 0.00 0.00 0.02 0.00 0.00 54.13 56.09 1bkf s LEU 50 Cb -0.10 -4.16 0.00 0.00 0.02 0.00 0.00 46.19 41.94 1bkf s LEU 50 CO 0.02 -0.18 0.00 0.61 0.02 0.00 0.00 176.35 176.81 1bkf n GLY 51 N 0.24 0.25 0.13 -3.19 0.00 -1.26 -2.15 105.19 99.20 1bkf n GLY 51 Ca 0.04 -0.74 0.05 0.00 0.00 0.00 0.00 46.02 45.37 1bkf n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bkf n LYS 52 N -1.54 1.34 -2.29 1.61 5.02 -1.26 -4.92 118.16 116.11 1bkf n LYS 52 Ca -0.05 -1.87 -0.15 0.00 -2.02 0.00 0.00 58.31 54.22 1bkf n LYS 52 Cb 0.50 -1.12 -0.01 0.00 -0.02 0.00 0.00 35.03 34.37 1bkf n LYS 52 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1bkf n GLN 53 N -0.84 -1.97 0.04 1.97 6.02 -1.26 -4.87 117.38 116.47 1bkf n GLN 53 Ca 0.08 0.74 0.11 0.00 -0.01 0.00 0.00 57.00 57.93 1bkf n GLN 53 Cb 0.55 -5.32 -0.05 0.00 1.02 0.00 0.00 30.24 26.45 1bkf n GLN 53 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1bkf n GLU 54 N -2.75 0.49 -4.48 -1.09 0.28 -1.26 -4.92 120.64 106.91 1bkf n GLU 54 Ca -0.17 -0.03 -0.23 0.00 -0.16 0.00 0.00 57.16 56.57 1bkf n GLU 54 Cb 0.61 -1.64 -0.10 0.00 1.43 0.00 0.00 31.44 31.74 1bkf n GLU 54 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1bkf s VAL 55 N -3.34 1.82 0.47 3.84 -7.23 -1.26 -5.09 120.40 109.60 1bkf s VAL 55 Ca -0.01 -2.13 -0.24 0.00 -1.81 0.00 0.00 61.98 57.79 1bkf s VAL 55 Cb 0.13 -2.59 -0.07 0.00 0.56 0.00 0.00 36.38 34.40 1bkf s VAL 55 CO 0.83 -0.22 1.38 0.27 -0.31 0.00 0.00 175.10 177.06 1bkf s ILE 56 N -2.88 2.20 0.40 -0.62 -4.36 -1.26 -4.80 121.20 109.88 1bkf s ILE 56 Ca 0.32 0.17 0.09 0.00 -0.26 0.00 0.00 60.65 60.96 1bkf s ILE 56 Cb 0.04 -3.09 0.30 0.00 1.25 0.00 0.00 42.46 40.96 1bkf s ILE 56 CO 0.14 0.02 1.99 -0.09 0.24 0.00 0.00 174.94 177.24 1bkf h ARG 57 N 2.15 0.55 -0.43 0.37 9.65 -1.91 -0.93 114.38 123.84 1bkf h ARG 57 Ca -0.51 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.27 1bkf h ARG 57 Cb 1.27 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 1bkf h ARG 57 CO 0.60 0.37 -0.01 0.78 2.80 0.00 0.00 179.97 184.51 1bkf h GLY 58 N 0.57 0.75 0.89 2.80 0.00 -1.53 -0.52 103.07 106.04 1bkf h GLY 58 Ca 0.25 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1bkf h GLY 58 CO -0.07 0.45 0.02 1.49 0.00 0.00 0.00 176.54 178.43 1bkf h TRP 59 N 0.66 0.05 -0.07 5.60 4.06 -1.41 -1.75 115.95 123.09 1bkf h TRP 59 Ca 0.13 -0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.11 1bkf h TRP 59 Cb 0.42 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.53 1bkf h TRP 59 CO 0.02 0.15 -0.15 1.49 -3.56 0.00 0.00 178.44 176.39 1bkf h GLU 60 N -0.06 -0.20 0.00 0.49 4.81 -1.05 0.15 114.58 118.72 1bkf h GLU 60 Ca 0.01 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1bkf h GLU 60 Cb 0.12 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1bkf h GLU 60 CO -0.00 -0.14 -0.32 0.93 -0.73 0.00 0.00 179.01 178.75 1bkf h GLU 61 N -0.21 0.00 0.01 1.92 5.08 -1.13 -1.68 114.58 118.57 1bkf h GLU 61 Ca 0.07 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1bkf h GLU 61 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1bkf h GLU 61 CO -0.19 0.32 -0.45 0.78 -1.00 0.00 0.00 179.01 178.47 1bkf h GLY 62 N 1.33 0.31 1.57 -3.84 0.00 -0.48 -3.29 103.07 98.67 1bkf h GLY 62 Ca -0.00 -0.57 -0.17 0.00 0.00 0.00 0.00 47.33 46.59 1bkf h GLY 62 CO 0.04 0.51 -0.63 -2.08 0.00 0.00 0.00 176.54 174.38 1bkf h VAL 63 N -0.34 1.35 -0.15 4.60 2.07 -0.66 -1.71 116.25 121.41 1bkf h VAL 63 Ca -0.06 -1.95 0.04 0.00 0.82 0.00 0.00 66.70 65.55 1bkf h VAL 63 Cb 1.20 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1bkf h VAL 63 CO 0.09 0.59 0.28 0.00 0.02 0.00 0.00 177.57 178.55 1bkf h ALA 64 N 1.00 1.61 -0.20 1.67 0.00 -1.38 -1.43 119.26 120.52 1bkf h ALA 64 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bkf h ALA 64 Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1bkf h ALA 64 CO 0.11 -0.36 0.00 1.04 0.00 0.00 0.00 179.25 180.04 1bkf n GLN 65 N -3.35 1.83 -4.17 0.00 6.02 -0.64 -4.52 117.38 112.54 1bkf n GLN 65 Ca 0.01 -1.25 -0.31 0.00 -0.01 0.00 0.00 57.00 55.44 1bkf n GLN 65 Cb 0.38 -1.40 -0.08 0.00 1.02 0.00 0.00 30.24 30.16 1bkf n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1bkf s MET 66 N -1.74 2.57 0.33 -1.09 -1.94 -0.54 -5.12 119.30 111.78 1bkf s MET 66 Ca 0.32 -0.81 0.08 0.00 -1.71 0.00 0.00 55.69 53.58 1bkf s MET 66 Cb 0.18 -2.55 -0.03 0.00 2.01 0.00 0.00 34.83 34.43 1bkf s MET 66 CO 0.26 0.55 0.24 -1.54 -0.01 0.00 0.00 175.02 174.52 1bkf s SER 67 N -2.15 5.10 0.21 3.03 1.04 -1.26 -4.23 113.70 115.44 1bkf s SER 67 Ca 0.24 -0.57 -0.32 0.00 0.48 0.00 0.00 55.95 55.78 1bkf s SER 67 Cb -0.12 -0.91 -0.12 0.00 0.10 0.00 0.00 66.02 64.98 1bkf s SER 67 CO 0.16 -0.32 1.69 -0.69 0.98 0.00 0.00 173.24 175.07 1bkf s VAL 68 N -2.34 2.08 0.00 5.02 1.01 -0.57 -1.20 120.40 124.41 1bkf s VAL 68 Ca 0.39 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1bkf s VAL 68 Cb -0.05 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1bkf s VAL 68 CO 0.25 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1bkf n GLY 69 N 3.76 0.77 3.77 4.51 0.00 0.45 -0.72 105.19 117.73 1bkf n GLY 69 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1bkf n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1bkf s GLN 70 N -0.73 4.14 -0.13 1.61 0.74 -0.34 -4.50 119.66 120.44 1bkf s GLN 70 Ca 0.00 1.80 0.01 0.00 0.05 0.00 0.00 55.36 57.21 1bkf s GLN 70 Cb 0.00 -2.72 -0.01 0.00 1.10 0.00 0.00 33.01 31.39 1bkf s GLN 70 CO 0.00 -0.23 -0.16 0.50 -0.55 0.00 0.00 175.29 174.84 1bkf s ARG 71 N -2.23 3.25 0.05 1.67 3.52 -0.28 -1.15 118.95 123.78 1bkf s ARG 71 Ca 0.56 -0.75 -0.09 0.00 -0.13 0.00 0.00 55.73 55.31 1bkf s ARG 71 Cb -0.30 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.54 1bkf s ARG 71 CO 0.37 0.13 0.19 0.00 -0.81 0.00 0.00 175.30 175.19 1bkf s ALA 72 N 0.52 -0.34 -0.30 6.12 0.00 0.30 -0.52 121.76 127.54 1bkf s ALA 72 Ca -0.11 -0.33 -0.13 0.00 0.00 0.00 0.00 51.96 51.39 1bkf s ALA 72 Cb -0.16 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 1bkf s ALA 72 CO 0.04 -0.38 0.27 0.21 0.00 0.00 0.00 175.76 175.91 1bkf s LYS 73 N -2.74 3.80 -0.25 0.00 2.20 -0.17 0.03 119.74 122.60 1bkf s LYS 73 Ca -0.04 -0.32 -0.09 0.00 -0.36 0.00 0.00 55.97 55.16 1bkf s LYS 73 Cb -0.00 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 1bkf s LYS 73 CO -0.05 -0.32 0.12 -0.51 -0.36 0.00 0.00 175.35 174.22 1bkf s LEU 74 N 1.87 3.72 -0.19 5.43 1.02 0.53 -1.22 118.68 129.85 1bkf s LEU 74 Ca 0.10 -0.08 -0.04 0.00 0.02 0.00 0.00 54.13 54.12 1bkf s LEU 74 Cb -0.16 -2.01 -0.02 0.00 0.02 0.00 0.00 46.19 44.02 1bkf s LEU 74 CO 0.11 -0.01 -0.03 -0.89 0.02 0.00 0.00 176.35 175.55 1bkf s THR 75 N 1.48 3.74 -0.12 5.49 2.01 0.04 -1.07 115.64 127.20 1bkf s THR 75 Ca 0.06 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.70 1bkf s THR 75 Cb -0.15 -2.67 -0.00 0.00 0.01 0.00 0.00 72.50 69.68 1bkf s THR 75 CO 0.06 0.45 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.60 1bkf s ILE 76 N 0.93 2.38 0.62 1.82 1.01 0.12 -0.81 121.20 127.27 1bkf s ILE 76 Ca 0.00 -0.90 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 1bkf s ILE 76 Cb -0.14 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 1bkf s ILE 76 CO 0.01 0.55 1.25 -0.44 0.00 0.00 0.00 174.94 176.31 1bkf s SER 77 N 0.41 4.90 0.27 3.58 0.01 -0.23 -1.65 113.70 120.98 1bkf s SER 77 Ca -0.15 2.49 -0.01 0.00 1.31 0.00 0.00 55.95 59.59 1bkf s SER 77 Cb -0.17 -2.61 0.48 0.00 0.21 0.00 0.00 66.02 63.93 1bkf s SER 77 CO 0.07 -1.80 1.82 -0.65 0.41 0.00 0.00 173.24 173.09 1bkf h PRO 78 N 0.70 0.88 0.00 12.44 0.11 -1.87 -0.83 132.00 143.43 1bkf h PRO 78 Ca -0.51 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1bkf h PRO 78 Cb 1.32 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1bkf h PRO 78 CO 0.54 0.58 0.00 -3.47 -0.21 0.00 0.00 178.00 175.44 1bkf n ASP 79 N -4.68 0.27 -1.27 -2.05 2.03 -1.26 -0.40 116.55 109.19 1bkf n ASP 79 Ca 0.16 0.57 0.10 0.00 0.52 0.00 0.00 54.79 56.14 1bkf n ASP 79 Cb 0.32 -0.62 0.30 0.00 -0.72 0.00 0.00 41.12 40.40 1bkf n ASP 79 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1bkf n TYR 80 N -1.80 1.02 0.00 -0.67 4.02 -0.34 -4.82 117.16 114.57 1bkf n TYR 80 Ca 0.03 -0.54 0.00 0.00 -0.01 0.00 0.00 57.90 57.38 1bkf n TYR 80 Cb 0.20 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 1bkf n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bkf n ALA 81 N 1.26 0.00 -0.32 -0.72 0.00 0.47 -1.30 120.51 119.89 1bkf n ALA 81 Ca 0.23 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.77 1bkf n ALA 81 Cb 0.66 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.39 1bkf n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bkf n TYR 82 N 0.00 0.85 -3.85 0.00 4.01 -1.14 -4.92 117.16 112.11 1bkf n TYR 82 Ca 0.00 -0.50 0.00 0.00 -0.16 0.00 0.00 57.90 57.24 1bkf n TYR 82 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1bkf n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bkf n GLY 83 N 1.35 2.36 0.00 2.72 0.00 -0.16 -1.04 105.19 110.43 1bkf n GLY 83 Ca 0.21 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.96 1bkf n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bkf n ALA 84 N 7.55 2.13 -0.07 4.61 0.00 -1.26 -0.59 120.51 132.88 1bkf n ALA 84 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.12 1bkf n ALA 84 Cb 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 17.95 1bkf n ALA 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bkf n THR 85 N -1.38 1.63 -4.13 0.00 -1.04 -0.95 -4.33 114.28 104.08 1bkf n THR 85 Ca 0.09 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1bkf n THR 85 Cb 0.22 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 66.95 1bkf n THR 85 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bkf n GLY 86 N 1.80 -1.29 2.90 3.41 0.00 -0.21 -4.01 105.19 107.79 1bkf n GLY 86 Ca -0.37 -1.27 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 1bkf n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bkf s VAL 87 N 0.00 0.79 -0.03 1.61 1.01 -0.45 -4.90 120.40 118.43 1bkf s VAL 87 Ca 0.00 -0.21 -0.34 0.00 0.00 0.00 0.00 61.98 61.43 1bkf s VAL 87 Cb 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 36.38 35.45 1bkf s VAL 87 CO 0.00 0.30 1.81 -0.81 0.00 0.00 0.00 175.10 176.40 1bkf n PRO 88 N 4.46 2.16 -0.95 2.72 -0.04 -1.26 -0.46 135.00 141.63 1bkf n PRO 88 Ca -0.17 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1bkf n PRO 88 Cb 0.51 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1bkf n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bkf n GLY 89 N 4.16 0.88 1.51 0.55 0.00 -1.26 -4.74 105.19 106.28 1bkf n GLY 89 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1bkf n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bkf n ILE 90 N -2.04 0.00 -4.56 -0.61 5.41 0.39 -5.05 119.36 112.90 1bkf n ILE 90 Ca 0.00 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.42 1bkf n ILE 90 Cb 0.00 -0.84 -0.16 0.00 -0.71 0.00 0.00 39.64 37.94 1bkf n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1bkf s ILE 91 N -1.96 2.34 0.91 1.39 -1.09 -0.29 -4.93 121.20 117.57 1bkf s ILE 91 Ca 0.00 -0.88 -0.11 0.00 -2.23 0.00 0.00 60.65 57.43 1bkf s ILE 91 Cb 0.00 -1.97 0.14 0.00 -1.58 0.00 0.00 42.46 39.05 1bkf s ILE 91 CO 0.00 0.53 1.10 -2.16 -1.23 0.00 0.00 174.94 173.18 1bkf s PRO 92 N 0.86 1.13 0.22 2.79 0.04 -1.26 -1.34 135.00 137.44 1bkf s PRO 92 Ca -0.05 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 61.84 1bkf s PRO 92 Cb -0.15 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.46 1bkf s PRO 92 CO -0.02 -2.42 0.96 -2.30 0.04 0.00 0.00 177.00 173.25 1bkf n PRO 93 N -4.05 0.95 -1.71 0.56 -0.02 -1.26 -3.08 135.00 126.39 1bkf n PRO 93 Ca 0.09 0.33 -0.15 0.00 -2.02 0.00 0.00 63.50 61.75 1bkf n PRO 93 Cb 0.53 -1.67 -0.04 0.00 -0.02 0.00 0.00 33.50 32.30 1bkf n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1bkf n HIS 94 N 0.63 -0.24 -2.77 6.00 8.25 0.24 -4.94 115.22 122.39 1bkf n HIS 94 Ca 0.14 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.18 1bkf n HIS 94 Cb 0.27 -2.76 -0.04 0.00 1.12 0.00 0.00 29.99 28.58 1bkf n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bkf s ALA 95 N -2.61 3.25 0.11 -1.41 0.00 -1.18 -4.80 121.76 115.12 1bkf s ALA 95 Ca 0.00 0.51 -0.26 0.00 0.00 0.00 0.00 51.96 52.21 1bkf s ALA 95 Cb 0.00 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 1bkf s ALA 95 CO 0.00 -0.06 0.82 0.99 0.00 0.00 0.00 175.76 177.52 1bkf s THR 96 N 0.22 4.53 0.06 0.00 2.01 -1.26 -3.76 115.64 117.43 1bkf s THR 96 Ca 0.46 1.78 0.06 0.00 0.31 0.00 0.00 61.69 64.30 1bkf s THR 96 Cb -0.22 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 1bkf s THR 96 CO 0.28 0.41 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.76 1bkf s LEU 97 N -0.43 3.04 -0.14 4.42 1.43 -0.66 -3.98 118.68 122.36 1bkf s LEU 97 Ca 0.40 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1bkf s LEU 97 Cb -0.22 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.22 1bkf s LEU 97 CO 0.26 0.23 -0.17 -0.69 0.23 0.00 0.00 176.35 176.20 1bkf s VAL 98 N -1.10 1.76 -0.11 -1.59 1.01 0.32 -0.70 120.40 119.99 1bkf s VAL 98 Ca 0.19 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1bkf s VAL 98 Cb -0.11 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1bkf s VAL 98 CO 0.11 0.49 -0.12 -0.36 0.00 0.00 0.00 175.10 175.22 1bkf s PHE 99 N 1.21 2.82 -0.36 5.22 0.40 -0.24 -0.57 117.98 126.47 1bkf s PHE 99 Ca 0.00 -0.41 -0.18 0.00 -0.60 0.00 0.00 56.93 55.75 1bkf s PHE 99 Cb -0.14 -1.79 -0.00 0.00 0.51 0.00 0.00 43.02 41.60 1bkf s PHE 99 CO -0.08 -0.03 0.51 0.34 0.70 0.00 0.00 175.22 176.66 1bkf s ASP 100 N -0.05 6.30 -0.03 1.36 -1.08 -0.44 -0.35 116.67 122.40 1bkf s ASP 100 Ca -0.02 -0.09 0.06 0.00 -0.52 0.00 0.00 52.55 51.98 1bkf s ASP 100 Cb -0.14 -2.27 -0.01 0.00 -1.46 0.00 0.00 42.92 39.04 1bkf s ASP 100 CO 0.04 -0.50 -0.21 -0.69 0.52 0.00 0.00 175.17 174.33 1bkf s VAL 101 N 2.39 1.70 -0.17 1.11 1.01 0.10 -1.50 120.40 125.04 1bkf s VAL 101 Ca 0.18 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 1bkf s VAL 101 Cb -0.15 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1bkf s VAL 101 CO 0.14 0.48 -0.14 -0.70 0.00 0.00 0.00 175.10 174.87 1bkf s GLU 102 N -0.34 3.20 -0.37 2.72 2.12 -0.15 -0.54 118.70 125.35 1bkf s GLU 102 Ca 0.04 -0.74 -0.19 0.00 0.36 0.00 0.00 54.97 54.43 1bkf s GLU 102 Cb -0.10 -2.67 0.00 0.00 0.26 0.00 0.00 34.13 31.62 1bkf s GLU 102 CO 0.01 -0.06 0.59 -1.17 -0.54 0.00 0.00 175.26 174.08 1bkf s LEU 103 N 1.00 4.35 -0.16 2.70 2.96 -0.30 -1.65 118.68 127.58 1bkf s LEU 103 Ca -0.02 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.92 1bkf s LEU 103 Cb -0.15 -2.69 -0.23 0.00 0.50 0.00 0.00 46.19 43.63 1bkf s LEU 103 CO -0.03 -0.58 0.20 0.18 -1.32 0.00 0.00 176.35 174.80 1bkf n LEU 104 N 5.95 1.85 -3.54 -0.68 4.77 -0.28 -0.41 117.00 124.66 1bkf n LEU 104 Ca -0.03 0.11 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 1bkf n LEU 104 Cb 0.49 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1bkf n LEU 104 CO 0.48 0.71 0.72 -0.75 -1.33 0.00 0.00 177.39 177.22 1bkf s LYS 105 N -2.54 0.71 -0.06 3.23 2.20 -1.16 -4.63 119.74 117.49 1bkf s LYS 105 Ca -0.20 -0.02 0.06 0.00 -0.36 0.00 0.00 55.97 55.45 1bkf s LYS 105 Cb 0.07 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.72 1bkf s LYS 105 CO 0.74 -0.26 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.72 1bkf s LEU 106 N -1.66 2.06 0.00 5.43 1.43 -1.26 -1.39 118.68 123.29 1bkf s LEU 106 Ca 0.00 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1bkf s LEU 106 Cb -0.01 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.86 1bkf s LEU 106 CO -0.02 0.24 0.27 -0.62 0.23 0.00 0.00 176.35 176.45