#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rkf s GLN 2 N 0.00 3.39 -0.11 0.54 2.00 -1.26 -5.11 119.66 119.11 2rkf s GLN 2 Ca 0.00 -0.48 0.01 0.00 -2.00 0.00 0.00 55.36 52.89 2rkf s GLN 2 Cb 0.00 -2.87 0.02 0.00 0.80 0.00 0.00 33.01 30.96 2rkf s GLN 2 CO 0.00 0.43 -0.13 -1.50 -0.50 0.00 0.00 175.29 173.59 2rkf s ILE 3 N -0.14 1.33 0.81 -2.34 2.07 -1.26 -5.14 121.20 116.54 2rkf s ILE 3 Ca 0.03 -0.53 -0.11 0.00 -1.41 0.00 0.00 60.65 58.64 2rkf s ILE 3 Cb -0.13 -1.25 0.10 0.00 0.13 0.00 0.00 42.46 41.31 2rkf s ILE 3 CO 0.02 0.41 1.16 0.42 -1.91 0.00 0.00 174.94 175.05 2rkf s THR 4 N 1.20 2.06 -0.17 4.00 -4.23 -1.26 -5.02 115.64 112.22 2rkf s THR 4 Ca -0.03 -0.07 0.16 0.00 -1.18 0.00 0.00 61.69 60.56 2rkf s THR 4 Cb -0.14 -2.99 0.38 0.00 1.34 0.00 0.00 72.50 71.10 2rkf s THR 4 CO -0.04 0.00 1.25 0.18 -0.54 0.00 0.00 174.62 175.47 2rkf n LEU 5 N -3.29 2.89 0.24 4.79 4.77 -1.26 -4.55 117.00 120.60 2rkf n LEU 5 Ca 0.09 -3.34 0.12 0.00 -0.03 0.00 0.00 56.01 52.85 2rkf n LEU 5 Cb 0.61 -0.50 0.60 0.00 -2.33 0.00 0.00 43.42 41.80 2rkf n LEU 5 CO 0.54 0.92 0.89 -0.50 -1.33 0.00 0.00 177.39 177.91 2rkf h TRP 6 N 0.65 0.00 -2.55 -1.77 4.06 -2.07 -3.44 115.95 110.83 2rkf h TRP 6 Ca 0.02 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.46 2rkf h TRP 6 Cb 1.15 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.17 2rkf h TRP 6 CO 0.37 0.17 -0.70 -0.65 -3.56 0.00 0.00 178.44 174.06 2rkf s GLN 7 N -3.87 1.54 0.25 0.49 -0.21 -1.26 -5.11 119.66 111.49 2rkf s GLN 7 Ca -0.01 -1.75 -0.31 0.00 0.02 0.00 0.00 55.36 53.31 2rkf s GLN 7 Cb 0.11 -1.31 -0.11 0.00 1.00 0.00 0.00 33.01 32.70 2rkf s GLN 7 CO 0.60 0.14 1.64 1.03 -2.12 0.00 0.00 175.29 176.58 2rkf s ARG 8 N -3.66 4.13 -1.28 2.91 0.52 -1.26 -4.87 118.95 115.44 2rkf s ARG 8 Ca 0.28 2.57 -0.18 0.00 -0.52 0.00 0.00 55.73 57.88 2rkf s ARG 8 Cb 0.01 -3.06 0.02 0.00 0.52 0.00 0.00 34.95 32.44 2rkf s ARG 8 CO 0.12 -0.68 1.93 -0.35 0.02 0.00 0.00 175.30 176.34 2rkf n PRO 9 N 3.07 2.71 -3.13 3.54 -0.04 -1.26 -4.98 135.00 134.90 2rkf n PRO 9 Ca 0.12 -2.82 -0.36 0.00 -0.04 0.00 0.00 63.50 60.40 2rkf n PRO 9 Cb 0.37 -3.41 -0.06 0.00 -0.04 0.00 0.00 33.50 30.35 2rkf n PRO 9 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2rkf s PHE 10 N 4.94 3.63 0.13 0.54 0.08 -1.26 -0.83 117.98 125.20 2rkf s PHE 10 Ca 0.54 1.34 0.03 0.00 0.12 0.00 0.00 56.93 58.96 2rkf s PHE 10 Cb 0.07 -2.58 -0.04 0.00 -0.57 0.00 0.00 43.02 39.90 2rkf s PHE 10 CO 0.04 0.33 -0.07 0.14 -0.10 0.00 0.00 175.22 175.56 2rkf s VAL 11 N -1.55 0.90 0.07 -0.44 -7.23 -0.23 -4.94 120.40 106.98 2rkf s VAL 11 Ca 0.43 -1.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.38 2rkf s VAL 11 Cb -0.16 -1.80 -0.06 0.00 0.56 0.00 0.00 36.38 34.91 2rkf s VAL 11 CO 0.21 -0.78 0.67 0.42 -0.31 0.00 0.00 175.10 175.31 2rkf s THR 12 N -3.50 4.69 0.07 5.32 -4.23 -1.26 -1.14 115.64 115.58 2rkf s THR 12 Ca 0.15 1.44 0.05 0.00 -1.18 0.00 0.00 61.69 62.16 2rkf s THR 12 Cb 0.04 -4.02 -0.03 0.00 1.34 0.00 0.00 72.50 69.84 2rkf s THR 12 CO -0.02 0.47 -0.15 0.68 -0.54 0.00 0.00 174.62 175.07 2rkf s VAL 13 N -0.65 1.17 -0.13 2.29 -7.23 -0.07 -1.39 120.40 114.39 2rkf s VAL 13 Ca 0.33 -1.31 0.03 0.00 -1.81 0.00 0.00 61.98 59.22 2rkf s VAL 13 Cb -0.20 -1.11 0.01 0.00 0.56 0.00 0.00 36.38 35.63 2rkf s VAL 13 CO 0.21 -0.20 -0.21 -0.75 -0.31 0.00 0.00 175.10 173.84 2rkf s LYS 14 N -1.72 2.89 -0.04 4.82 2.20 0.09 -1.57 119.74 126.41 2rkf s LYS 14 Ca -0.01 -0.81 -0.01 0.00 -0.36 0.00 0.00 55.97 54.77 2rkf s LYS 14 Cb -0.10 -2.32 0.03 0.00 -1.51 0.00 0.00 37.83 33.93 2rkf s LYS 14 CO 0.02 0.01 0.06 -1.50 -0.36 0.00 0.00 175.35 173.59 2rkf s ILE 15 N 0.77 -0.10 -1.45 5.43 2.07 -0.20 -1.03 121.20 126.69 2rkf s ILE 15 Ca -0.09 0.32 -0.07 0.00 -1.41 0.00 0.00 60.65 59.41 2rkf s ILE 15 Cb -0.16 -0.14 0.05 0.00 0.13 0.00 0.00 42.46 42.34 2rkf s ILE 15 CO -0.00 0.13 0.76 0.00 -1.91 0.00 0.00 174.94 173.92 2rkf n ALA 16 N 4.80 -1.67 -0.70 1.50 0.00 -1.26 -0.98 120.51 122.19 2rkf n ALA 16 Ca -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2rkf n ALA 16 Cb 0.50 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 17.00 2rkf n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rkf n GLY 17 N -1.68 1.08 3.70 0.00 0.00 -1.26 -5.01 105.19 102.02 2rkf n GLY 17 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 2rkf n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rkf s GLN 18 N -0.18 2.89 -0.05 1.61 -0.21 -0.15 -5.11 119.66 118.46 2rkf s GLN 18 Ca 0.00 -0.52 -0.01 0.00 0.02 0.00 0.00 55.36 54.84 2rkf s GLN 18 Cb 0.00 -2.74 -0.04 0.00 1.00 0.00 0.00 33.01 31.24 2rkf s GLN 18 CO 0.00 0.66 0.05 -0.51 -2.12 0.00 0.00 175.29 173.36 2rkf s LEU 19 N -1.35 3.78 0.29 2.90 1.43 -1.26 -1.03 118.68 123.44 2rkf s LEU 19 Ca 0.18 0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.26 2rkf s LEU 19 Cb -0.11 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.08 2rkf s LEU 19 CO 0.08 0.33 0.65 0.00 0.23 0.00 0.00 176.35 177.63 2rkf s MET 20 N -1.33 1.78 0.08 1.70 0.23 -0.61 -5.01 119.30 116.14 2rkf s MET 20 Ca 0.18 -1.15 0.05 0.00 -1.03 0.00 0.00 55.69 53.74 2rkf s MET 20 Cb -0.12 0.56 -0.04 0.00 -1.53 0.00 0.00 34.83 33.71 2rkf s MET 20 CO 0.08 -0.80 -0.02 -1.21 -2.03 0.00 0.00 175.02 171.05 2rkf s GLU 21 N -3.72 2.52 0.01 3.16 2.02 -1.26 -0.89 118.70 120.54 2rkf s GLU 21 Ca 0.16 -0.84 -0.07 0.00 0.02 0.00 0.00 54.97 54.24 2rkf s GLU 21 Cb -0.04 -2.52 -0.00 0.00 0.10 0.00 0.00 34.13 31.67 2rkf s GLU 21 CO 0.09 0.55 0.13 0.00 0.02 0.00 0.00 175.26 176.04 2rkf s ALA 22 N -1.27 -0.26 -0.06 5.21 0.00 -0.29 -4.59 121.76 120.49 2rkf s ALA 22 Ca 0.24 -0.25 -0.28 0.00 0.00 0.00 0.00 51.96 51.67 2rkf s ALA 22 Cb -0.12 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2rkf s ALA 22 CO 0.17 -0.24 0.90 -0.51 0.00 0.00 0.00 175.76 176.08 2rkf s LEU 23 N -1.61 4.31 -0.27 0.00 1.43 0.14 -1.06 118.68 121.62 2rkf s LEU 23 Ca -0.12 1.46 -0.29 0.00 -1.03 0.00 0.00 54.13 54.15 2rkf s LEU 23 Cb -0.06 -3.42 -0.00 0.00 0.03 0.00 0.00 46.19 42.74 2rkf s LEU 23 CO -0.00 -0.29 1.35 -0.76 0.23 0.00 0.00 176.35 176.88 2rkf s LEU 24 N 1.33 3.92 -0.32 1.79 1.43 -0.01 0.09 118.68 126.91 2rkf s LEU 24 Ca 0.46 1.32 -0.00 0.00 -1.03 0.00 0.00 54.13 54.88 2rkf s LEU 24 Cb -0.19 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.59 2rkf s LEU 24 CO 0.22 -1.07 0.10 -0.62 0.23 0.00 0.00 176.35 175.21 2rkf s ASP 25 N 2.92 4.02 0.53 2.29 -1.08 -0.56 -4.78 116.67 120.01 2rkf s ASP 25 Ca 0.58 -1.71 0.34 0.00 -0.52 0.00 0.00 52.55 51.24 2rkf s ASP 25 Cb -0.18 -0.89 1.46 0.00 -1.46 0.00 0.00 42.92 41.84 2rkf s ASP 25 CO 0.23 -0.41 2.00 0.71 0.52 0.00 0.00 175.17 178.22 2rkf h THR 26 N 6.41 0.00 -0.13 1.71 1.35 -1.93 -2.60 112.91 117.71 2rkf h THR 26 Ca -0.12 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2rkf h THR 26 Cb 1.01 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2rkf h THR 26 CO 0.47 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 2rkf n GLY 27 N -0.14 -0.11 3.40 5.82 0.00 -1.26 -4.81 105.19 108.08 2rkf n GLY 27 Ca 0.00 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 2rkf n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkf s ALA 28 N -1.83 2.83 0.21 4.61 0.00 -0.98 -4.99 121.76 121.60 2rkf s ALA 28 Ca 0.28 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.28 2rkf s ALA 28 Cb 0.14 -1.51 0.16 0.00 0.00 0.00 0.00 23.12 21.91 2rkf s ALA 28 CO 0.22 -0.00 1.51 -0.44 0.00 0.00 0.00 175.76 177.04 2rkf h ASP 29 N 7.20 0.41 -2.63 0.00 3.32 -1.87 0.10 116.42 122.96 2rkf h ASP 29 Ca -0.33 -0.24 -0.53 0.00 0.02 0.00 0.00 57.03 55.95 2rkf h ASP 29 Cb 1.19 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.48 2rkf h ASP 29 CO 0.60 0.94 -0.65 -1.81 -1.72 0.00 0.00 179.24 176.59 2rkf s ASP 30 N -6.92 3.02 -0.16 6.45 1.01 -1.26 -2.40 116.67 116.41 2rkf s ASP 30 Ca -0.05 -1.25 -0.06 0.00 0.71 0.00 0.00 52.55 51.90 2rkf s ASP 30 Cb 0.11 -0.22 -0.04 0.00 1.01 0.00 0.00 42.92 43.79 2rkf s ASP 30 CO 0.82 -0.38 0.03 -0.89 0.21 0.00 0.00 175.17 174.96 2rkf s THR 31 N -2.95 4.52 -0.06 -1.27 2.01 -1.26 -3.20 115.64 113.44 2rkf s THR 31 Ca 0.32 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.20 2rkf s THR 31 Cb 0.05 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.58 2rkf s THR 31 CO 0.14 0.49 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.87 2rkf s ILE 32 N 0.14 0.76 0.10 1.82 1.01 -0.31 -0.80 121.20 123.92 2rkf s ILE 32 Ca 0.03 -0.24 0.09 0.00 0.00 0.00 0.00 60.65 60.54 2rkf s ILE 32 Cb -0.13 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2rkf s ILE 32 CO 0.01 0.28 -0.24 -0.76 0.00 0.00 0.00 174.94 174.23 2rkf s LEU 33 N 0.94 2.29 0.86 2.97 1.43 0.84 -0.49 118.68 127.52 2rkf s LEU 33 Ca -0.10 -0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 52.18 2rkf s LEU 33 Cb -0.15 -1.05 0.08 0.00 0.03 0.00 0.00 46.19 45.10 2rkf s LEU 33 CO 0.00 0.13 0.96 -0.62 0.23 0.00 0.00 176.35 177.06 2rkf n GLU 34 N 1.14 -0.08 -1.69 1.70 1.02 -1.26 -1.69 120.64 119.78 2rkf n GLU 34 Ca -0.19 0.05 -0.55 0.00 -0.02 0.00 0.00 57.16 56.45 2rkf n GLU 34 Cb 0.53 -2.25 -0.07 0.00 -0.02 0.00 0.00 31.44 29.64 2rkf n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2rkf n GLU 35 N -2.98 1.32 -3.76 3.49 4.07 -1.18 -4.57 120.64 117.02 2rkf n GLU 35 Ca 0.11 0.48 -0.10 0.00 -0.06 0.00 0.00 57.16 57.60 2rkf n GLU 35 Cb 0.51 -2.19 -0.06 0.00 -0.06 0.00 0.00 31.44 29.65 2rkf n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2rkf s MET 36 N 3.18 0.98 -0.60 5.31 0.23 -1.26 -5.04 119.30 122.10 2rkf s MET 36 Ca 0.95 -0.86 -0.28 0.00 -1.03 0.00 0.00 55.69 54.47 2rkf s MET 36 Cb -0.99 0.41 0.03 0.00 -1.53 0.00 0.00 34.83 32.74 2rkf s MET 36 CO 0.61 -0.35 1.18 -1.54 -2.03 0.00 0.00 175.02 172.89 2rkf s SER 37 N -2.84 6.40 -0.11 -1.18 1.04 -1.26 -5.00 113.70 110.74 2rkf s SER 37 Ca 0.05 -0.00 -0.02 0.00 0.48 0.00 0.00 55.95 56.46 2rkf s SER 37 Cb 0.03 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 2rkf s SER 37 CO -0.10 -1.51 -0.04 -0.76 0.98 0.00 0.00 173.24 171.81 2rkf s LEU 38 N 4.97 3.29 0.58 2.42 1.43 -1.26 -5.01 118.68 125.12 2rkf s LEU 38 Ca 0.41 -0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 53.32 2rkf s LEU 38 Cb -0.08 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 2rkf s LEU 38 CO 0.24 0.27 1.03 -2.16 0.23 0.00 0.00 176.35 175.95 2rkf s PRO 39 N -0.25 3.53 0.00 1.29 0.04 -1.26 -4.99 135.00 133.36 2rkf s PRO 39 Ca 0.04 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2rkf s PRO 39 Cb -0.13 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2rkf s PRO 39 CO 0.02 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2rkf n GLY 40 N -1.62 -0.62 3.71 0.56 0.00 -1.26 -5.00 105.19 100.96 2rkf n GLY 40 Ca 0.07 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 2rkf n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2rkf s ARG 41 N -1.17 1.93 0.32 1.61 3.52 -1.26 -5.05 118.95 118.85 2rkf s ARG 41 Ca 0.00 1.72 -0.01 0.00 -0.13 0.00 0.00 55.73 57.31 2rkf s ARG 41 Cb 0.00 -1.81 -0.01 0.00 -1.56 0.00 0.00 34.95 31.57 2rkf s ARG 41 CO 0.00 -1.99 0.41 1.67 -0.81 0.00 0.00 175.30 174.58 2rkf s TRP 42 N -2.11 1.18 -0.04 5.12 1.48 -1.26 -4.76 118.94 118.55 2rkf s TRP 42 Ca 0.73 -1.35 0.03 0.00 -1.06 0.00 0.00 56.10 54.45 2rkf s TRP 42 Cb -0.28 -0.24 0.00 0.00 -1.16 0.00 0.00 33.47 31.79 2rkf s TRP 42 CO 0.48 -1.03 -0.12 0.99 -4.06 0.00 0.00 176.95 173.20 2rkf s THR 43 N -3.28 1.04 0.36 0.66 2.01 -0.60 -4.91 115.64 110.92 2rkf s THR 43 Ca 0.33 -0.49 -0.28 0.00 0.31 0.00 0.00 61.69 61.55 2rkf s THR 43 Cb 0.01 -0.92 -0.11 0.00 0.01 0.00 0.00 72.50 71.49 2rkf s THR 43 CO 0.21 0.31 1.45 -2.16 -0.69 0.00 0.00 174.62 173.74 2rkf s PRO 44 N 0.19 4.17 0.07 4.92 0.04 -1.26 -0.16 135.00 142.97 2rkf s PRO 44 Ca -0.05 2.49 -0.14 0.00 0.04 0.00 0.00 61.00 63.34 2rkf s PRO 44 Cb -0.10 -3.00 0.02 0.00 0.04 0.00 0.00 34.50 31.46 2rkf s PRO 44 CO 0.01 -0.46 0.33 0.21 0.04 0.00 0.00 177.00 177.14 2rkf s LYS 45 N -1.90 0.91 -0.04 4.56 2.20 -0.60 -4.85 119.74 120.02 2rkf s LYS 45 Ca 0.53 -0.61 0.05 0.00 -0.36 0.00 0.00 55.97 55.57 2rkf s LYS 45 Cb -0.45 0.39 -0.00 0.00 -1.51 0.00 0.00 37.83 36.26 2rkf s LYS 45 CO 0.60 -0.32 -0.18 0.14 -0.36 0.00 0.00 175.35 175.23 2rkf s VAL 46 N -3.12 1.50 -0.04 4.02 -7.23 -1.26 0.32 120.40 114.60 2rkf s VAL 46 Ca -0.01 -0.76 0.05 0.00 -1.81 0.00 0.00 61.98 59.45 2rkf s VAL 46 Cb 0.01 -1.28 -0.02 0.00 0.56 0.00 0.00 36.38 35.64 2rkf s VAL 46 CO -0.07 0.43 -0.18 0.68 -0.31 0.00 0.00 175.10 175.65 2rkf s VAL 47 N 0.00 2.76 -0.20 1.32 -7.23 0.00 -4.92 120.40 112.12 2rkf s VAL 47 Ca -0.03 -0.86 -0.09 0.00 -1.81 0.00 0.00 61.98 59.19 2rkf s VAL 47 Cb -0.12 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 2rkf s VAL 47 CO 0.02 0.57 0.10 -0.83 -0.31 0.00 0.00 175.10 174.65 2rkf s GLY 48 N -0.74 1.93 0.00 2.32 0.00 -1.26 -0.75 107.32 108.82 2rkf s GLY 48 Ca 0.11 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2rkf s GLY 48 CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.91 2rkf n GLY 49 N 3.84 6.47 0.20 0.20 0.00 0.76 -4.99 105.19 111.67 2rkf n GLY 49 Ca -0.16 -1.97 0.02 0.00 0.00 0.00 0.00 46.02 43.92 2rkf n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2rkf h ILE 50 N 0.00 1.24 -0.21 -0.61 2.04 -2.03 -3.20 117.51 114.75 2rkf h ILE 50 Ca 0.00 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.70 2rkf h ILE 50 Cb 0.00 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2rkf h ILE 50 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 178.15 179.10 2rkf n GLY 51 N -0.55 1.17 0.00 5.37 0.00 -1.26 -5.09 105.19 104.83 2rkf n GLY 51 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2rkf n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rkf n GLY 52 N 1.10 0.72 3.59 -0.02 0.00 -1.21 -5.12 105.19 104.25 2rkf n GLY 52 Ca 0.14 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 2rkf n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2rkf s PHE 53 N -3.05 2.55 -0.01 1.61 -0.71 -1.26 -0.17 117.98 116.93 2rkf s PHE 53 Ca 0.00 -0.31 0.00 0.00 -1.04 0.00 0.00 56.93 55.58 2rkf s PHE 53 Cb 0.00 -1.22 0.01 0.00 -1.21 0.00 0.00 43.02 40.60 2rkf s PHE 53 CO 0.00 0.61 0.01 1.41 -1.34 0.00 0.00 175.22 175.91 2rkf s MET 54 N -3.64 0.01 0.10 1.99 1.75 0.07 -4.97 119.30 114.61 2rkf s MET 54 Ca 0.32 0.08 -0.30 0.00 -1.25 0.00 0.00 55.69 54.54 2rkf s MET 54 Cb -0.04 -0.15 -0.05 0.00 2.84 0.00 0.00 34.83 37.43 2rkf s MET 54 CO 0.18 -0.08 0.97 0.15 -0.65 0.00 0.00 175.02 175.60 2rkf s LYS 55 N 0.51 4.67 0.23 4.11 1.02 -1.26 -0.82 119.74 128.21 2rkf s LYS 55 Ca -0.04 1.46 0.01 0.00 0.02 0.00 0.00 55.97 57.41 2rkf s LYS 55 Cb -0.06 -3.39 -0.05 0.00 -0.52 0.00 0.00 37.83 33.81 2rkf s LYS 55 CO -0.01 0.17 0.09 0.14 -0.92 0.00 0.00 175.35 174.81 2rkf s VAL 56 N 0.14 0.48 -0.17 3.17 -7.23 0.15 -4.53 120.40 112.41 2rkf s VAL 56 Ca 0.48 -1.99 -0.05 0.00 -1.81 0.00 0.00 61.98 58.61 2rkf s VAL 56 Cb -0.23 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 2rkf s VAL 56 CO 0.30 -0.09 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.86 2rkf s ARG 57 N -4.04 3.74 -0.25 4.82 0.52 0.46 -1.55 118.95 122.65 2rkf s ARG 57 Ca 0.35 -0.47 -0.12 0.00 -0.52 0.00 0.00 55.73 54.97 2rkf s ARG 57 Cb 0.07 -3.01 -0.05 0.00 0.52 0.00 0.00 34.95 32.49 2rkf s ARG 57 CO 0.12 0.22 0.23 -1.14 0.02 0.00 0.00 175.30 174.75 2rkf s GLN 58 N 0.44 4.04 -0.14 3.54 0.74 0.77 -0.34 119.66 128.71 2rkf s GLN 58 Ca -0.02 -0.18 -0.00 0.00 0.05 0.00 0.00 55.36 55.21 2rkf s GLN 58 Cb -0.14 -3.59 -0.01 0.00 1.10 0.00 0.00 33.01 30.37 2rkf s GLN 58 CO 0.02 -0.07 -0.13 0.71 -0.55 0.00 0.00 175.29 175.27 2rkf s TYR 59 N 1.44 2.81 0.28 1.67 2.02 0.41 -1.56 117.35 124.42 2rkf s TYR 59 Ca 0.10 -0.75 0.04 0.00 -0.37 0.00 0.00 57.07 56.09 2rkf s TYR 59 Cb -0.15 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 2rkf s TYR 59 CO 0.08 -0.29 0.42 -0.51 -1.57 0.00 0.00 175.55 173.68 2rkf s ASP 60 N 0.51 6.23 -1.49 2.29 1.01 -1.26 -0.64 116.67 123.33 2rkf s ASP 60 Ca -0.09 0.09 -0.05 0.00 0.71 0.00 0.00 52.55 53.21 2rkf s ASP 60 Cb -0.16 -1.75 0.04 0.00 1.01 0.00 0.00 42.92 42.06 2rkf s ASP 60 CO 0.04 -0.20 0.52 0.00 0.21 0.00 0.00 175.17 175.74 2rkf n GLN 61 N -1.54 -3.28 -3.31 8.23 6.02 -1.18 -4.91 117.38 117.41 2rkf n GLN 61 Ca -0.06 0.39 -0.38 0.00 -0.01 0.00 0.00 57.00 56.94 2rkf n GLN 61 Cb 0.57 -4.68 -0.06 0.00 1.02 0.00 0.00 30.24 27.10 2rkf n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2rkf s ILE 62 N -3.78 5.15 -0.11 5.09 -1.09 0.13 -4.78 121.20 121.81 2rkf s ILE 62 Ca 0.21 0.98 -0.30 0.00 -2.23 0.00 0.00 60.65 59.32 2rkf s ILE 62 Cb -0.11 -3.82 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 2rkf s ILE 62 CO 0.90 0.35 1.09 -0.22 -1.23 0.00 0.00 174.94 175.83 2rkf s LEU 63 N 0.45 4.23 -0.07 2.97 2.96 -1.26 -1.22 118.68 126.74 2rkf s LEU 63 Ca 0.26 1.61 0.04 0.00 -0.22 0.00 0.00 54.13 55.82 2rkf s LEU 63 Cb -0.16 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.98 2rkf s LEU 63 CO 0.11 -0.54 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.71 2rkf s VAL 64 N 2.35 1.66 -0.43 1.68 1.01 0.54 -4.42 120.40 122.79 2rkf s VAL 64 Ca 0.50 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 2rkf s VAL 64 Cb -0.20 -1.44 0.08 0.00 0.00 0.00 0.00 36.38 34.82 2rkf s VAL 64 CO 0.17 0.47 0.28 -0.70 0.00 0.00 0.00 175.10 175.32 2rkf s GLU 65 N 0.24 2.59 -0.34 2.72 2.12 -0.20 -0.61 118.70 125.22 2rkf s GLU 65 Ca -0.11 -1.50 -0.07 0.00 0.36 0.00 0.00 54.97 53.65 2rkf s GLU 65 Cb -0.15 -3.81 0.04 0.00 0.26 0.00 0.00 34.13 30.47 2rkf s GLU 65 CO 0.05 -0.99 0.12 0.42 -0.54 0.00 0.00 175.26 174.32 2rkf s ILE 66 N 1.42 3.92 -1.51 -3.70 1.01 0.39 -0.73 121.20 121.99 2rkf s ILE 66 Ca 0.03 -1.07 -0.04 0.00 0.00 0.00 0.00 60.65 59.58 2rkf s ILE 66 Cb -0.23 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 39.05 2rkf s ILE 66 CO 0.02 -0.17 0.40 0.00 0.00 0.00 0.00 174.94 175.18 2rkf n GLY 68 N -1.29 2.98 3.69 0.00 0.00 -1.26 -5.02 105.19 104.30 2rkf n GLY 68 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2rkf n GLY 68 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2rkf s HIS 69 N -1.62 3.31 -0.10 1.61 5.65 -0.71 -4.96 115.29 118.48 2rkf s HIS 69 Ca 0.00 1.32 -0.23 0.00 0.25 0.00 0.00 55.06 56.40 2rkf s HIS 69 Cb 0.00 -3.36 -0.03 0.00 -1.18 0.00 0.00 32.58 28.00 2rkf s HIS 69 CO 0.00 -1.04 0.69 0.15 -0.65 0.00 0.00 174.74 173.89 2rkf s LYS 70 N 1.91 4.39 0.14 2.88 1.02 -1.26 -0.46 119.74 128.36 2rkf s LYS 70 Ca 0.55 0.84 0.01 0.00 0.02 0.00 0.00 55.97 57.39 2rkf s LYS 70 Cb -0.24 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 2rkf s LYS 70 CO 0.23 -0.01 -0.01 0.14 -0.92 0.00 0.00 175.35 174.78 2rkf s VAL 71 N 1.06 0.59 -0.03 3.17 -7.23 0.22 -5.00 120.40 113.18 2rkf s VAL 71 Ca 0.36 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.61 2rkf s VAL 71 Cb -0.17 -1.94 0.00 0.00 0.56 0.00 0.00 36.38 34.83 2rkf s VAL 71 CO 0.16 -0.63 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.58 2rkf s ILE 72 N -3.71 0.97 -0.00 -0.62 1.01 -1.26 -0.34 121.20 117.25 2rkf s ILE 72 Ca 0.19 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 2rkf s ILE 72 Cb 0.06 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.69 2rkf s ILE 72 CO 0.00 0.29 0.05 0.61 0.00 0.00 0.00 174.94 175.90 2rkf n GLY 73 N 3.19 0.54 3.75 6.18 0.00 -0.35 -4.89 105.19 113.60 2rkf n GLY 73 Ca -0.18 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 2rkf n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rkf s THR 74 N -2.10 4.41 -0.05 2.61 2.01 -1.26 -0.70 115.64 120.56 2rkf s THR 74 Ca 0.01 1.90 0.03 0.00 0.31 0.00 0.00 61.69 63.95 2rkf s THR 74 Cb -0.00 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.27 2rkf s THR 74 CO -0.00 0.42 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.53 2rkf s VAL 75 N -0.57 1.15 -0.10 3.82 1.01 0.19 -4.51 120.40 121.40 2rkf s VAL 75 Ca 0.41 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 2rkf s VAL 75 Cb -0.23 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 2rkf s VAL 75 CO 0.28 0.35 0.23 -0.76 0.00 0.00 0.00 175.10 175.20 2rkf s LEU 76 N 0.37 4.38 -0.10 3.92 1.43 0.02 -0.44 118.68 128.24 2rkf s LEU 76 Ca -0.09 0.58 0.04 0.00 -1.03 0.00 0.00 54.13 53.63 2rkf s LEU 76 Cb -0.13 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.85 2rkf s LEU 76 CO 0.03 0.33 -0.23 -0.69 0.23 0.00 0.00 176.35 176.01 2rkf s VAL 77 N -0.71 2.01 -0.03 -1.59 1.01 0.54 -0.11 120.40 121.52 2rkf s VAL 77 Ca 0.17 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2rkf s VAL 77 Cb -0.13 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2rkf s VAL 77 CO 0.06 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2rkf n GLY 78 N 3.60 -1.21 2.47 4.51 0.00 -0.68 -0.40 105.19 113.48 2rkf n GLY 78 Ca -0.19 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 2rkf n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rkf n PRO 79 N -0.00 1.60 -2.63 1.61 -0.04 -1.26 -3.10 135.00 131.17 2rkf n PRO 79 Ca 0.00 -1.04 -0.40 0.00 -0.04 0.00 0.00 63.50 62.02 2rkf n PRO 79 Cb 0.00 -2.15 -0.05 0.00 -0.04 0.00 0.00 33.50 31.26 2rkf n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2rkf s THR 80 N 2.84 3.82 -0.23 0.52 -1.32 -1.26 -4.95 115.64 115.06 2rkf s THR 80 Ca 0.37 1.77 0.28 0.00 -1.21 0.00 0.00 61.69 62.90 2rkf s THR 80 Cb 0.13 -4.10 0.30 0.00 -1.51 0.00 0.00 72.50 67.31 2rkf s THR 80 CO -0.02 0.38 1.83 1.55 -2.21 0.00 0.00 174.62 176.14 2rkf h PRO 81 N 3.81 0.00 -2.83 7.08 0.13 -1.99 -3.45 132.00 134.75 2rkf h PRO 81 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 2rkf h PRO 81 Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 2rkf h PRO 81 CO 0.67 0.00 -0.26 0.00 -0.23 0.00 0.00 178.00 178.18 2rkf s ALA 82 N -3.48 -0.94 0.10 -0.56 0.00 -1.26 -5.13 121.76 110.50 2rkf s ALA 82 Ca 0.03 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 2rkf s ALA 82 Cb 0.09 -0.49 -0.07 0.00 0.00 0.00 0.00 23.12 22.66 2rkf s ALA 82 CO 0.43 -0.20 1.20 -0.80 0.00 0.00 0.00 175.76 176.40 2rkf s ASN 83 N -0.10 7.08 -0.07 0.00 0.01 -1.26 -4.79 114.94 115.80 2rkf s ASN 83 Ca -0.03 2.10 0.02 0.00 -0.71 0.00 0.00 52.86 54.24 2rkf s ASN 83 Cb -0.03 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2rkf s ASN 83 CO 0.01 -0.44 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.43 2rkf s ILE 84 N 0.69 1.07 -0.39 0.60 1.01 0.36 -0.68 121.20 123.86 2rkf s ILE 84 Ca 0.57 -0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.64 2rkf s ILE 84 Cb -0.31 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.17 2rkf s ILE 84 CO 0.32 0.35 0.39 -0.63 0.00 0.00 0.00 174.94 175.36 2rkf s ILE 85 N 0.85 5.15 0.57 2.92 -1.09 0.11 -1.16 121.20 128.54 2rkf s ILE 85 Ca -0.11 -0.23 0.03 0.00 -2.23 0.00 0.00 60.65 58.11 2rkf s ILE 85 Cb -0.15 -3.93 0.11 0.00 -1.58 0.00 0.00 42.46 36.90 2rkf s ILE 85 CO 0.02 -0.27 0.78 0.61 -1.23 0.00 0.00 174.94 174.85 2rkf n GLY 86 N 5.06 1.18 0.27 6.18 0.00 -1.19 -1.50 105.19 115.18 2rkf n GLY 86 Ca -0.09 -2.10 0.12 0.00 0.00 0.00 0.00 46.02 43.96 2rkf n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2rkf h ARG 87 N 0.00 0.00 -0.53 1.61 3.08 -0.78 -1.08 114.38 116.68 2rkf h ARG 87 Ca -0.26 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.88 2rkf h ARG 87 Cb 1.04 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 2rkf h ARG 87 CO 0.31 0.09 0.36 -2.95 -1.07 0.00 0.00 179.97 176.71 2rkf h ASN 88 N 0.00 0.29 0.00 7.04 -1.07 -1.73 -1.95 115.58 118.16 2rkf h ASN 88 Ca -0.00 0.01 -0.34 0.00 0.07 0.00 0.00 56.30 56.03 2rkf h ASN 88 Cb 0.21 -0.06 -0.07 0.00 -2.07 0.00 0.00 38.32 36.34 2rkf h ASN 88 CO 0.01 0.18 -2.32 0.18 0.07 0.00 0.00 177.43 175.55 2rkf n LEU 89 N -4.46 0.00 -0.30 6.14 4.77 -0.66 -4.46 117.00 118.03 2rkf n LEU 89 Ca 0.08 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.05 2rkf n LEU 89 Cb 0.36 0.47 0.17 0.00 -2.33 0.00 0.00 43.42 42.09 2rkf n LEU 89 CO 0.34 0.47 1.27 -0.07 -1.33 0.00 0.00 177.39 178.07 2rkf h LEU 90 N 0.00 1.02 -1.96 2.23 3.38 -0.99 -0.88 115.31 118.10 2rkf h LEU 90 Ca -0.51 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 2rkf h LEU 90 Cb 2.16 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.66 2rkf h LEU 90 CO 0.03 0.74 -0.04 0.71 0.09 0.00 0.00 178.44 179.97 2rkf h THR 91 N 1.20 0.99 0.00 0.22 1.35 -1.59 -1.98 112.91 113.10 2rkf h THR 91 Ca 0.32 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 2rkf h THR 91 Cb -0.14 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 2rkf h THR 91 CO -0.07 0.04 0.00 1.56 -0.25 0.00 0.00 175.52 176.80 2rkf h GLN 92 N 0.00 0.00 -0.64 4.72 1.08 -1.38 -2.96 115.11 115.93 2rkf h GLN 92 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2rkf h GLN 92 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2rkf h GLN 92 CO 0.00 0.00 0.00 0.44 -0.95 0.00 0.00 178.83 178.32 2rkf n ILE 93 N -2.99 1.88 -2.93 2.54 -5.35 -0.96 -4.96 119.36 106.60 2rkf n ILE 93 Ca 0.04 -1.22 -0.19 0.00 -0.27 0.00 0.00 62.75 61.11 2rkf n ILE 93 Cb 0.51 0.11 0.03 0.00 -1.74 0.00 0.00 39.64 38.55 2rkf n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rkf n GLY 94 N 1.08 -0.33 3.72 3.28 0.00 -1.12 -4.96 105.19 106.87 2rkf n GLY 94 Ca 0.26 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2rkf n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rkf s THR 96 N 0.69 1.29 -0.04 0.00 -4.23 -1.26 -4.76 115.64 107.32 2rkf s THR 96 Ca 0.52 -1.64 -0.12 0.00 -1.18 0.00 0.00 61.69 59.26 2rkf s THR 96 Cb -0.23 -1.45 -0.05 0.00 1.34 0.00 0.00 72.50 72.11 2rkf s THR 96 CO 0.29 -0.38 0.32 -0.76 -0.54 0.00 0.00 174.62 173.55 2rkf s LEU 97 N -2.32 4.45 -0.04 4.79 1.43 -1.26 -5.10 118.68 120.64 2rkf s LEU 97 Ca 0.07 0.80 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 2rkf s LEU 97 Cb -0.06 -2.41 0.02 0.00 0.03 0.00 0.00 46.19 43.76 2rkf s LEU 97 CO 0.03 0.35 -0.05 0.20 0.23 0.00 0.00 176.35 177.11 2rkf s ASN 98 N -1.05 0.93 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.69 2rkf s ASN 98 Ca 0.21 -0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.36 2rkf s ASN 98 Cb -0.15 -0.39 0.00 0.00 -0.02 0.00 0.00 41.25 40.69 2rkf s ASN 98 CO 0.10 -0.02 0.00 2.22 -2.57 0.00 0.00 177.10 176.83