#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 3.30 -0.14 0.54 0.74 -1.26 -5.11 119.66 117.73 2rkf s GLN 2 Ca 0.00 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.13 2rkf s GLN 2 Cb 0.00 -3.01 0.02 0.00 1.10 0.00 0.00 33.01 31.12 2rkf s GLN 2 CO 0.00 0.68 -0.13 0.42 -0.55 0.00 0.00 175.29 175.71 2rkf s ILE 3 N -0.79 1.45 0.78 -2.34 1.01 -1.26 -5.14 121.20 114.91 2rkf s ILE 3 Ca 0.13 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 2rkf s ILE 3 Cb -0.12 -1.39 0.10 0.00 0.01 0.00 0.00 42.46 41.07 2rkf s ILE 3 CO 0.03 0.43 1.10 0.42 0.00 0.00 0.00 174.94 176.92 2rkf s THR 4 N 1.53 2.16 -0.16 2.92 -4.23 -1.26 -5.03 115.64 111.58 2rkf s THR 4 Ca 0.05 -0.22 0.17 0.00 -1.18 0.00 0.00 61.69 60.51 2rkf s THR 4 Cb -0.13 -2.94 0.34 0.00 1.34 0.00 0.00 72.50 71.11 2rkf s THR 4 CO -0.10 0.00 1.19 0.18 -0.54 0.00 0.00 174.62 175.35 2rkf n LEU 5 N -3.15 2.59 0.24 4.79 4.77 -1.26 -4.55 117.00 120.43 2rkf n LEU 5 Ca 0.10 -3.29 0.10 0.00 -0.03 0.00 0.00 56.01 52.89 2rkf n LEU 5 Cb 0.60 -0.47 0.59 0.00 -2.33 0.00 0.00 43.42 41.82 2rkf n LEU 5 CO 0.50 0.88 0.89 -0.50 -1.33 0.00 0.00 177.39 177.83 2rkf h TRP 6 N 0.38 0.00 -2.28 -1.77 4.06 -2.07 -3.44 115.95 110.84 2rkf h TRP 6 Ca 0.01 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.40 2rkf h TRP 6 Cb 1.05 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.07 2rkf h TRP 6 CO 0.24 0.19 -0.67 -0.65 -3.56 0.00 0.00 178.44 174.00 2rkf s GLN 7 N -4.09 1.71 0.23 0.49 -0.21 -1.26 -5.11 119.66 111.42 2rkf s GLN 7 Ca -0.02 -1.89 -0.30 0.00 0.02 0.00 0.00 55.36 53.17 2rkf s GLN 7 Cb 0.13 -1.41 -0.10 0.00 1.00 0.00 0.00 33.01 32.63 2rkf s GLN 7 CO 0.63 0.06 1.49 1.03 -2.12 0.00 0.00 175.29 176.38 2rkf s ARG 8 N -3.69 4.23 -1.31 2.91 0.52 -1.26 -4.88 118.95 115.47 2rkf s ARG 8 Ca 0.32 2.35 -0.17 0.00 -0.52 0.00 0.00 55.73 57.71 2rkf s ARG 8 Cb 0.04 -3.11 0.02 0.00 0.52 0.00 0.00 34.95 32.42 2rkf s ARG 8 CO 0.15 -0.50 2.01 -0.35 0.02 0.00 0.00 175.30 176.63 2rkf n PRO 9 N 2.75 2.73 -2.94 3.54 -0.04 -1.26 -4.98 135.00 134.79 2rkf n PRO 9 Ca 0.09 -2.73 -0.36 0.00 -0.04 0.00 0.00 63.50 60.45 2rkf n PRO 9 Cb 0.39 -3.35 -0.06 0.00 -0.04 0.00 0.00 33.50 30.44 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 4.28 3.66 0.13 0.54 0.08 -1.26 -0.45 117.98 124.97 2rkf s PHE 10 Ca 0.52 1.58 0.04 0.00 0.12 0.00 0.00 56.93 59.19 2rkf s PHE 10 Cb 0.10 -2.77 -0.04 0.00 -0.57 0.00 0.00 43.02 39.74 2rkf s PHE 10 CO 0.01 0.27 -0.10 0.14 -0.10 0.00 0.00 175.22 175.44 2rkf s VAL 11 N -1.58 1.08 -0.04 -0.44 -7.23 -0.29 -4.93 120.40 106.96 2rkf s VAL 11 Ca 0.47 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.45 2rkf s VAL 11 Cb -0.17 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.95 2rkf s VAL 11 CO 0.22 -0.74 0.55 -0.89 -0.31 0.00 0.00 175.10 173.93 2rkf s THR 12 N -3.25 5.01 0.10 5.32 2.01 -1.26 -1.29 115.64 122.28 2rkf s THR 12 Ca 0.15 1.13 0.07 0.00 0.31 0.00 0.00 61.69 63.34 2rkf s THR 12 Cb 0.02 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 2rkf s THR 12 CO -0.00 0.40 -0.18 0.68 -0.69 0.00 0.00 174.62 174.83 2rkf s VAL 13 N -0.02 1.54 -0.10 3.82 -7.23 -0.05 -0.99 120.40 117.36 2rkf s VAL 13 Ca 0.29 -1.55 0.03 0.00 -1.81 0.00 0.00 61.98 58.93 2rkf s VAL 13 Cb -0.17 -1.47 0.01 0.00 0.56 0.00 0.00 36.38 35.30 2rkf s VAL 13 CO 0.15 -0.17 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.83 2rkf s LYS 14 N -2.07 2.49 -0.06 4.82 2.20 -0.08 -1.56 119.74 125.48 2rkf s LYS 14 Ca 0.06 -0.67 -0.02 0.00 -0.36 0.00 0.00 55.97 54.97 2rkf s LYS 14 Cb -0.09 -1.99 0.04 0.00 -1.51 0.00 0.00 37.83 34.28 2rkf s LYS 14 CO 0.04 0.04 0.13 0.42 -0.36 0.00 0.00 175.35 175.62 2rkf s ILE 15 N 0.67 -0.11 -1.48 5.43 1.01 -0.17 -0.94 121.20 125.61 2rkf s ILE 15 Ca -0.13 0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 2rkf s ILE 15 Cb -0.16 -0.23 0.03 0.00 0.01 0.00 0.00 42.46 42.12 2rkf s ILE 15 CO 0.03 0.10 0.46 0.00 0.00 0.00 0.00 174.94 175.54 2rkf n ALA 16 N 4.59 -1.84 -0.85 9.38 0.00 -1.26 -0.87 120.51 129.65 2rkf n ALA 16 Ca -0.19 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2rkf n ALA 16 Cb 0.51 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 -1.91 0.71 3.68 0.00 0.00 -1.26 -5.00 105.19 101.41 2rkf n GLY 17 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.29 2.93 -0.04 1.61 -0.21 -0.05 -5.11 119.66 118.50 2rkf s GLN 18 Ca 0.00 -0.46 -0.03 0.00 0.02 0.00 0.00 55.36 54.89 2rkf s GLN 18 Cb 0.00 -2.76 -0.04 0.00 1.00 0.00 0.00 33.01 31.21 2rkf s GLN 18 CO 0.00 0.68 0.13 -0.51 -2.12 0.00 0.00 175.29 173.48 2rkf s LEU 19 N -1.04 4.19 0.27 2.90 1.43 -1.26 -1.00 118.68 124.17 2rkf s LEU 19 Ca 0.15 0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 53.34 2rkf s LEU 19 Cb -0.11 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.78 2rkf s LEU 19 CO 0.04 0.30 0.70 0.00 0.23 0.00 0.00 176.35 177.63 2rkf s MET 20 N -1.62 1.75 0.10 1.70 0.23 -0.60 -5.02 119.30 115.85 2rkf s MET 20 Ca 0.22 -0.98 0.05 0.00 -1.03 0.00 0.00 55.69 53.95 2rkf s MET 20 Cb -0.12 0.60 -0.04 0.00 -1.53 0.00 0.00 34.83 33.74 2rkf s MET 20 CO 0.13 -0.80 0.00 -1.21 -2.03 0.00 0.00 175.02 171.12 2rkf s GLU 21 N -3.92 2.54 0.03 3.16 2.02 -1.26 -0.87 118.70 120.39 2rkf s GLU 21 Ca 0.11 -0.88 -0.07 0.00 0.02 0.00 0.00 54.97 54.15 2rkf s GLU 21 Cb -0.05 -2.52 -0.00 0.00 0.10 0.00 0.00 34.13 31.65 2rkf s GLU 21 CO 0.06 0.53 0.14 0.00 0.02 0.00 0.00 175.26 176.00 2rkf s ALA 22 N -1.38 -0.23 -0.09 5.21 0.00 -0.41 -4.60 121.76 120.24 2rkf s ALA 22 Ca 0.26 -0.33 -0.26 0.00 0.00 0.00 0.00 51.96 51.62 2rkf s ALA 22 Cb -0.11 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2rkf s ALA 22 CO 0.19 -0.29 0.86 -0.51 0.00 0.00 0.00 175.76 176.00 2rkf s LEU 23 N -1.85 4.27 -0.29 0.00 1.43 0.17 -1.14 118.68 121.26 2rkf s LEU 23 Ca -0.09 1.34 -0.29 0.00 -1.03 0.00 0.00 54.13 54.06 2rkf s LEU 23 Cb -0.03 -3.32 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 2rkf s LEU 23 CO -0.02 -0.30 1.40 -0.76 0.23 0.00 0.00 176.35 176.90 2rkf s LEU 24 N 1.51 3.85 -0.32 1.79 1.43 0.40 0.03 118.68 127.38 2rkf s LEU 24 Ca 0.43 1.29 -0.00 0.00 -1.03 0.00 0.00 54.13 54.81 2rkf s LEU 24 Cb -0.18 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.60 2rkf s LEU 24 CO 0.18 -1.17 0.10 -0.62 0.23 0.00 0.00 176.35 175.07 2rkf s ASP 25 N 3.33 4.12 0.57 2.29 2.15 -0.58 -4.79 116.67 123.77 2rkf s ASP 25 Ca 0.61 -1.75 0.36 0.00 0.43 0.00 0.00 52.55 52.20 2rkf s ASP 25 Cb -0.19 -0.97 1.59 0.00 -0.30 0.00 0.00 42.92 43.05 2rkf s ASP 25 CO 0.26 -0.41 2.06 0.71 -0.17 0.00 0.00 175.17 177.63 2rkf h THR 26 N 6.46 0.00 -0.04 1.71 1.35 -1.93 -2.42 112.91 118.03 2rkf h THR 26 Ca -0.12 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2rkf h THR 26 Cb 1.01 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2rkf h THR 26 CO 0.48 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 2rkf n GLY 27 N -0.21 -0.46 3.39 5.82 0.00 -1.26 -4.80 105.19 107.66 2rkf n GLY 27 Ca -0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.95 2.88 0.22 4.61 0.00 -0.91 -5.00 121.76 121.61 2rkf s ALA 28 Ca 0.36 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 2rkf s ALA 28 Cb 0.18 -1.62 0.20 0.00 0.00 0.00 0.00 23.12 21.87 2rkf s ALA 28 CO 0.29 -0.14 1.61 -0.44 0.00 0.00 0.00 175.76 177.08 2rkf h ASP 29 N 7.49 0.71 -2.54 0.00 3.32 -1.87 0.17 116.42 123.70 2rkf h ASP 29 Ca -0.36 -0.28 -0.54 0.00 0.02 0.00 0.00 57.03 55.87 2rkf h ASP 29 Cb 1.18 -0.20 -0.14 0.00 0.22 0.00 0.00 39.33 40.40 2rkf h ASP 29 CO 0.60 0.97 -0.64 -1.81 -1.72 0.00 0.00 179.24 176.64 2rkf s ASP 30 N -6.80 3.10 -0.17 6.45 1.01 -1.26 -2.10 116.67 116.90 2rkf s ASP 30 Ca -0.09 -1.28 -0.06 0.00 0.71 0.00 0.00 52.55 51.84 2rkf s ASP 30 Cb 0.13 -0.23 -0.04 0.00 1.01 0.00 0.00 42.92 43.79 2rkf s ASP 30 CO 0.83 -0.40 0.02 -0.89 0.21 0.00 0.00 175.17 174.94 2rkf s THR 31 N -2.94 4.43 -0.05 -1.27 2.01 -1.26 -3.21 115.64 113.35 2rkf s THR 31 Ca 0.33 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.18 2rkf s THR 31 Cb 0.06 -2.97 0.02 0.00 0.01 0.00 0.00 72.50 69.61 2rkf s THR 31 CO 0.15 0.48 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.97 2rkf s ILE 32 N 0.33 0.82 0.14 1.82 2.07 -0.45 -0.68 121.20 125.25 2rkf s ILE 32 Ca 0.00 -0.29 0.11 0.00 -1.41 0.00 0.00 60.65 59.06 2rkf s ILE 32 Cb -0.13 -0.79 -0.04 0.00 0.13 0.00 0.00 42.46 41.63 2rkf s ILE 32 CO 0.01 0.29 -0.27 -0.76 -1.91 0.00 0.00 174.94 172.30 2rkf s LEU 33 N 0.79 2.33 0.82 8.50 1.43 0.50 -0.50 118.68 132.56 2rkf s LEU 33 Ca -0.13 -0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 52.08 2rkf s LEU 33 Cb -0.15 -1.21 0.07 0.00 0.03 0.00 0.00 46.19 44.93 2rkf s LEU 33 CO 0.02 0.17 1.03 -0.62 0.23 0.00 0.00 176.35 177.18 2rkf n GLU 34 N 0.84 0.11 -1.71 1.70 1.02 -1.26 -1.49 120.64 119.85 2rkf n GLU 34 Ca -0.17 0.11 -0.62 0.00 -0.02 0.00 0.00 57.16 56.45 2rkf n GLU 34 Cb 0.53 -2.29 -0.08 0.00 -0.02 0.00 0.00 31.44 29.57 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 -2.84 0.64 -3.95 3.49 4.07 -1.20 -4.58 120.64 116.27 2rkf n GLU 35 Ca 0.12 0.23 -0.10 0.00 -0.06 0.00 0.00 57.16 57.36 2rkf n GLU 35 Cb 0.51 -1.84 -0.07 0.00 -0.06 0.00 0.00 31.44 29.98 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 3.44 1.22 -0.60 5.31 0.23 -1.26 -5.04 119.30 122.59 2rkf s MET 36 Ca 1.02 -1.17 -0.23 0.00 -1.03 0.00 0.00 55.69 54.28 2rkf s MET 36 Cb -1.26 0.40 0.06 0.00 -1.53 0.00 0.00 34.83 32.49 2rkf s MET 36 CO 0.73 -0.46 0.93 -1.54 -2.03 0.00 0.00 175.02 172.65 2rkf s SER 37 N -2.97 6.25 -0.15 -1.18 1.04 -1.26 -5.02 113.70 110.41 2rkf s SER 37 Ca 0.18 -0.68 -0.04 0.00 0.48 0.00 0.00 55.95 55.88 2rkf s SER 37 Cb 0.03 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 2rkf s SER 37 CO 0.01 -1.31 -0.01 -0.76 0.98 0.00 0.00 173.24 172.15 2rkf s LEU 38 N 3.92 3.39 0.61 2.42 1.43 -1.26 -5.00 118.68 124.19 2rkf s LEU 38 Ca 0.26 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.13 2rkf s LEU 38 Cb -0.15 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2rkf s LEU 38 CO 0.15 0.19 1.07 -2.16 0.23 0.00 0.00 176.35 175.83 2rkf s PRO 39 N 0.24 3.20 0.00 1.29 0.04 -1.26 -4.97 135.00 133.55 2rkf s PRO 39 Ca -0.01 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2rkf s PRO 39 Cb -0.14 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2rkf s PRO 39 CO 0.02 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.56 2rkf n GLY 40 N -0.82 -0.29 3.54 0.56 0.00 -1.26 -5.01 105.19 101.90 2rkf n GLY 40 Ca 0.09 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 2rkf n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rkf n ARG 41 N -0.27 0.31 -4.03 1.61 1.74 -1.26 -5.04 116.66 109.72 2rkf n ARG 41 Ca 0.00 0.16 -0.10 0.00 -0.77 0.00 0.00 57.85 57.14 2rkf n ARG 41 Cb 0.00 -2.03 -0.06 0.00 -1.02 0.00 0.00 32.46 29.35 2rkf n ARG 41 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 2rkf s TRP 42 N -1.94 0.50 -0.07 -1.55 1.48 -1.26 -4.79 118.94 111.31 2rkf s TRP 42 Ca 0.68 -0.83 0.03 0.00 -1.06 0.00 0.00 56.10 54.92 2rkf s TRP 42 Cb -0.33 0.05 0.00 0.00 -1.16 0.00 0.00 33.47 32.03 2rkf s TRP 42 CO 0.55 -0.92 -0.17 0.99 -4.06 0.00 0.00 176.95 173.34 2rkf s THR 43 N -4.04 1.51 0.30 0.66 2.01 -0.66 -4.90 115.64 110.52 2rkf s THR 43 Ca 0.25 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 2rkf s THR 43 Cb 0.01 -1.33 -0.12 0.00 0.01 0.00 0.00 72.50 71.08 2rkf s THR 43 CO 0.09 0.44 1.59 -0.81 -0.69 0.00 0.00 174.62 175.24 2rkf n PRO 44 N 3.52 2.71 -3.73 4.92 -0.04 -1.26 -0.47 135.00 140.65 2rkf n PRO 44 Ca -0.20 0.96 -0.12 0.00 -0.04 0.00 0.00 63.50 64.10 2rkf n PRO 44 Cb 0.52 -2.74 -0.07 0.00 -0.04 0.00 0.00 33.50 31.17 2rkf n PRO 44 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2rkf s LYS 45 N -0.63 0.84 -0.07 0.54 2.20 -0.60 -4.89 119.74 117.13 2rkf s LYS 45 Ca 0.63 -0.46 0.04 0.00 -0.36 0.00 0.00 55.97 55.83 2rkf s LYS 45 Cb -0.49 0.37 -0.00 0.00 -1.51 0.00 0.00 37.83 36.19 2rkf s LYS 45 CO 0.50 -0.27 -0.20 0.14 -0.36 0.00 0.00 175.35 175.15 2rkf s VAL 46 N -2.50 1.71 -0.07 4.02 -7.23 -1.26 0.52 120.40 115.58 2rkf s VAL 46 Ca -0.05 -0.84 0.02 0.00 -1.81 0.00 0.00 61.98 59.29 2rkf s VAL 46 Cb -0.01 -1.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 2rkf s VAL 46 CO -0.03 0.48 -0.10 0.68 -0.31 0.00 0.00 175.10 175.82 2rkf s VAL 47 N 0.20 3.39 -0.24 1.32 -7.23 -0.17 -4.93 120.40 112.74 2rkf s VAL 47 Ca -0.10 -0.59 -0.07 0.00 -1.81 0.00 0.00 61.98 59.41 2rkf s VAL 47 Cb -0.15 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 2rkf s VAL 47 CO 0.05 0.58 0.05 -0.83 -0.31 0.00 0.00 175.10 174.64 2rkf s GLY 48 N -0.61 1.74 0.00 2.32 0.00 -1.26 -0.81 107.32 108.69 2rkf s GLY 48 Ca 0.09 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.68 2rkf s GLY 48 CO 0.01 0.51 0.00 0.61 0.00 0.00 0.00 173.10 174.23 2rkf n GLY 49 N 4.87 6.61 3.77 0.20 0.00 0.13 -4.98 105.19 115.78 2rkf n GLY 49 Ca -0.17 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.40 2rkf n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rkf s ILE 50 N 0.93 2.79 0.00 -0.61 1.01 -1.26 -2.63 121.20 121.43 2rkf s ILE 50 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.41 2rkf s ILE 50 Cb 0.00 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.00 2rkf s ILE 50 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.70 2rkf n GLY 51 N 0.77 2.87 0.00 6.18 0.00 -1.26 -4.89 105.19 108.86 2rkf n GLY 51 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 0.24 3.63 -0.02 0.00 -1.08 -5.09 105.19 100.87 2rkf n GLY 52 Ca 0.00 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.10 2rkf n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rkf s PHE 53 N -1.69 2.77 -0.01 1.61 2.99 -1.26 0.17 117.98 122.56 2rkf s PHE 53 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 56.93 56.77 2rkf s PHE 53 Cb 0.00 -1.35 0.01 0.00 0.00 0.00 0.00 43.02 41.68 2rkf s PHE 53 CO 0.00 0.51 -0.01 1.41 -0.00 0.00 0.00 175.22 177.14 2rkf s MET 54 N -2.88 0.19 0.15 0.44 -2.45 0.01 -4.97 119.30 109.78 2rkf s MET 54 Ca 0.26 0.01 -0.30 0.00 -1.25 0.00 0.00 55.69 54.42 2rkf s MET 54 Cb -0.09 -0.28 -0.07 0.00 1.25 0.00 0.00 34.83 35.64 2rkf s MET 54 CO 0.17 -0.05 0.99 0.15 1.05 0.00 0.00 175.02 177.33 2rkf s LYS 55 N 0.47 4.71 0.18 4.11 1.02 -1.26 -1.00 119.74 127.98 2rkf s LYS 55 Ca -0.04 1.52 0.00 0.00 0.02 0.00 0.00 55.97 57.46 2rkf s LYS 55 Cb -0.07 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 2rkf s LYS 55 CO -0.01 0.25 0.07 0.14 -0.92 0.00 0.00 175.35 174.88 2rkf s VAL 56 N -0.31 0.32 -0.20 3.17 -7.23 0.18 -4.51 120.40 111.83 2rkf s VAL 56 Ca 0.46 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.59 2rkf s VAL 56 Cb -0.25 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 2rkf s VAL 56 CO 0.31 -0.26 0.06 -0.13 -0.31 0.00 0.00 175.10 174.77 2rkf s ARG 57 N -4.04 3.88 -0.25 4.82 0.52 -0.06 -1.56 118.95 122.26 2rkf s ARG 57 Ca 0.30 -0.39 -0.12 0.00 -0.52 0.00 0.00 55.73 55.01 2rkf s ARG 57 Cb 0.07 -3.22 -0.05 0.00 0.52 0.00 0.00 34.95 32.27 2rkf s ARG 57 CO 0.07 0.17 0.24 -1.14 0.02 0.00 0.00 175.30 174.66 2rkf s GLN 58 N 0.65 4.03 -0.12 3.54 0.74 0.38 -0.45 119.66 128.42 2rkf s GLN 58 Ca 0.03 -0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.27 2rkf s GLN 58 Cb -0.13 -3.60 -0.01 0.00 1.10 0.00 0.00 33.01 30.36 2rkf s GLN 58 CO 0.02 -0.10 -0.14 0.71 -0.55 0.00 0.00 175.29 175.23 2rkf s TYR 59 N 1.51 2.78 0.27 1.67 2.02 0.26 -1.65 117.35 124.20 2rkf s TYR 59 Ca 0.10 -0.66 0.07 0.00 -0.37 0.00 0.00 57.07 56.20 2rkf s TYR 59 Cb -0.15 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 2rkf s TYR 59 CO 0.08 -0.21 0.25 -0.51 -1.57 0.00 0.00 175.55 173.59 2rkf s ASP 60 N 0.30 5.64 -1.46 2.29 1.01 -1.26 -0.60 116.67 122.58 2rkf s ASP 60 Ca -0.11 -0.23 -0.02 0.00 0.71 0.00 0.00 52.55 52.89 2rkf s ASP 60 Cb -0.16 -1.40 0.02 0.00 1.01 0.00 0.00 42.92 42.39 2rkf s ASP 60 CO 0.06 -0.11 0.40 0.00 0.21 0.00 0.00 175.17 175.73 2rkf n GLN 61 N -1.27 -2.93 -3.42 8.23 6.02 -1.17 -4.91 117.38 117.93 2rkf n GLN 61 Ca -0.07 0.35 -0.37 0.00 -0.01 0.00 0.00 57.00 56.90 2rkf n GLN 61 Cb 0.58 -4.46 -0.06 0.00 1.02 0.00 0.00 30.24 27.32 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 -3.94 5.24 -0.05 5.09 -1.09 0.13 -4.79 121.20 121.80 2rkf s ILE 62 Ca 0.09 0.76 -0.30 0.00 -2.23 0.00 0.00 60.65 58.97 2rkf s ILE 62 Cb -0.05 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.07 2rkf s ILE 62 CO 0.91 0.36 1.20 -0.22 -1.23 0.00 0.00 174.94 175.96 2rkf s LEU 63 N 0.52 4.29 -0.08 2.97 2.96 -1.26 -1.31 118.68 126.76 2rkf s LEU 63 Ca 0.21 1.83 0.03 0.00 -0.22 0.00 0.00 54.13 55.98 2rkf s LEU 63 Cb -0.14 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.00 2rkf s LEU 63 CO 0.07 -0.58 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.68 2rkf s VAL 64 N 2.14 1.40 -0.40 1.68 1.01 0.03 -4.40 120.40 121.85 2rkf s VAL 64 Ca 0.56 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.81 2rkf s VAL 64 Cb -0.25 -1.25 0.06 0.00 0.00 0.00 0.00 36.38 34.93 2rkf s VAL 64 CO 0.22 0.41 0.25 -1.61 0.00 0.00 0.00 175.10 174.37 2rkf s GLU 65 N 0.62 2.72 -0.34 2.72 2.02 -0.11 -0.74 118.70 125.59 2rkf s GLU 65 Ca -0.15 -1.30 -0.09 0.00 0.02 0.00 0.00 54.97 53.45 2rkf s GLU 65 Cb -0.16 -3.78 0.02 0.00 0.10 0.00 0.00 34.13 30.30 2rkf s GLU 65 CO 0.04 -0.86 0.16 0.42 0.02 0.00 0.00 175.26 175.04 2rkf s ILE 66 N 1.49 4.38 -1.45 -1.63 1.01 0.57 -0.90 121.20 124.66 2rkf s ILE 66 Ca 0.02 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 59.82 2rkf s ILE 66 Cb -0.22 -3.36 0.04 0.00 0.01 0.00 0.00 42.46 38.94 2rkf s ILE 66 CO 0.04 -0.09 0.99 0.00 0.00 0.00 0.00 174.94 175.88 2rkf n GLY 68 N -1.77 2.88 3.82 0.00 0.00 -1.26 -5.02 105.19 103.83 2rkf n GLY 68 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 3.66 -0.12 1.61 5.65 -0.93 -4.97 115.29 118.18 2rkf s HIS 69 Ca 0.00 0.87 -0.19 0.00 0.25 0.00 0.00 55.06 56.00 2rkf s HIS 69 Cb 0.00 -2.27 -0.04 0.00 -1.18 0.00 0.00 32.58 29.10 2rkf s HIS 69 CO 0.00 0.58 0.51 0.15 -0.65 0.00 0.00 174.74 175.32 2rkf s LYS 70 N -0.76 4.33 0.11 2.88 1.02 -1.26 -0.32 119.74 125.74 2rkf s LYS 70 Ca 0.22 0.49 0.02 0.00 0.02 0.00 0.00 55.97 56.72 2rkf s LYS 70 Cb -0.15 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 2rkf s LYS 70 CO 0.11 0.10 -0.06 0.14 -0.92 0.00 0.00 175.35 174.72 2rkf s VAL 71 N 0.79 0.72 -0.03 3.17 -7.23 0.08 -5.00 120.40 112.90 2rkf s VAL 71 Ca 0.27 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.53 2rkf s VAL 71 Cb -0.15 -1.73 -0.00 0.00 0.56 0.00 0.00 36.38 35.06 2rkf s VAL 71 CO 0.11 -0.83 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.31 2rkf s ILE 72 N -3.61 1.06 0.00 -0.62 1.01 -1.26 -0.79 121.20 116.98 2rkf s ILE 72 Ca 0.13 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.27 2rkf s ILE 72 Cb 0.05 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.60 2rkf s ILE 72 CO -0.04 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.83 2rkf n GLY 73 N 3.20 0.72 3.76 6.18 0.00 -0.43 -4.89 105.19 113.73 2rkf n GLY 73 Ca -0.18 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.18 4.44 -0.05 2.61 2.01 -1.26 -0.69 115.64 120.51 2rkf s THR 74 Ca 0.00 1.78 0.04 0.00 0.31 0.00 0.00 61.69 63.82 2rkf s THR 74 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.33 2rkf s THR 74 CO 0.00 0.46 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.54 2rkf s VAL 75 N -0.74 1.31 -0.07 3.82 1.01 0.24 -4.49 120.40 121.48 2rkf s VAL 75 Ca 0.38 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 2rkf s VAL 75 Cb -0.23 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 2rkf s VAL 75 CO 0.27 0.38 0.27 -0.76 0.00 0.00 0.00 175.10 175.26 2rkf s LEU 76 N 0.19 4.42 -0.10 3.92 1.43 0.14 -0.58 118.68 128.11 2rkf s LEU 76 Ca -0.06 0.70 0.04 0.00 -1.03 0.00 0.00 54.13 53.77 2rkf s LEU 76 Cb -0.12 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2rkf s LEU 76 CO 0.03 0.35 -0.23 -0.69 0.23 0.00 0.00 176.35 176.04 2rkf s VAL 77 N -0.94 1.96 -0.29 -1.59 1.01 0.40 -0.37 120.40 120.59 2rkf s VAL 77 Ca 0.19 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2rkf s VAL 77 Cb -0.14 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2rkf s VAL 77 CO 0.08 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.33 2rkf n GLY 78 N 3.58 -1.23 2.14 4.51 0.00 -0.55 -0.89 105.19 112.75 2rkf n GLY 78 Ca -0.19 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 44.90 2rkf n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rkf n PRO 79 N -0.01 0.97 -2.62 1.61 -0.02 -1.26 -3.26 135.00 130.41 2rkf n PRO 79 Ca 0.00 -0.44 -0.38 0.00 -2.02 0.00 0.00 63.50 60.66 2rkf n PRO 79 Cb 0.00 -1.67 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 2rkf n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2rkf s THR 80 N 1.75 3.85 -0.39 3.45 -1.32 -1.26 -4.94 115.64 116.78 2rkf s THR 80 Ca 0.29 1.61 0.26 0.00 -1.21 0.00 0.00 61.69 62.64 2rkf s THR 80 Cb 0.14 -3.93 0.28 0.00 -1.51 0.00 0.00 72.50 67.49 2rkf s THR 80 CO 0.00 0.19 1.77 -0.65 -2.21 0.00 0.00 174.62 173.73 2rkf h PRO 81 N 3.22 0.00 -2.81 7.08 0.11 -1.99 -3.45 132.00 134.17 2rkf h PRO 81 Ca -0.47 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 2rkf h PRO 81 Cb 1.21 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.07 2rkf h PRO 81 CO 0.65 0.00 -0.27 0.00 -0.21 0.00 0.00 178.00 178.17 2rkf s ALA 82 N -3.36 -0.95 0.12 -0.75 0.00 -1.26 -5.12 121.76 110.43 2rkf s ALA 82 Ca 0.04 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.80 2rkf s ALA 82 Cb 0.09 -0.64 -0.06 0.00 0.00 0.00 0.00 23.12 22.51 2rkf s ALA 82 CO 0.45 -0.18 1.13 -0.80 0.00 0.00 0.00 175.76 176.36 2rkf s ASN 83 N 0.27 7.19 -0.06 0.00 0.01 -1.26 -4.77 114.94 116.32 2rkf s ASN 83 Ca -0.01 2.03 0.01 0.00 -0.71 0.00 0.00 52.86 54.19 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 -0.00 -0.33 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.56 2rkf s ILE 84 N 0.39 0.79 -0.37 0.60 1.01 0.34 -0.66 121.20 123.30 2rkf s ILE 84 Ca 0.53 -0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.79 2rkf s ILE 84 Cb -0.29 -0.77 -0.00 0.00 0.01 0.00 0.00 42.46 41.41 2rkf s ILE 84 CO 0.32 0.29 0.30 -0.63 0.00 0.00 0.00 174.94 175.21 2rkf s ILE 85 N 0.94 5.24 0.47 2.92 -1.09 0.10 -1.34 121.20 128.45 2rkf s ILE 85 Ca -0.10 -0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.03 2rkf s ILE 85 Cb -0.15 -3.82 0.09 0.00 -1.58 0.00 0.00 42.46 37.00 2rkf s ILE 85 CO 0.00 -0.15 0.65 0.61 -1.23 0.00 0.00 174.94 174.83 2rkf n GLY 86 N 5.10 1.15 0.24 6.18 0.00 -1.20 -1.53 105.19 115.13 2rkf n GLY 86 Ca -0.11 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.64 1.61 3.08 -0.60 -0.97 114.38 116.86 2rkf h ARG 87 Ca -0.22 0.00 0.13 0.00 0.07 0.00 0.00 59.98 59.97 2rkf h ARG 87 Cb 0.86 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.87 2rkf h ARG 87 CO 0.26 0.14 0.44 -2.95 -1.07 0.00 0.00 179.97 176.79 2rkf h ASN 88 N 0.00 0.27 0.00 7.04 -1.07 -1.68 -2.07 115.58 118.07 2rkf h ASN 88 Ca -0.00 0.01 -0.37 0.00 0.07 0.00 0.00 56.30 56.01 2rkf h ASN 88 Cb 0.27 -0.04 -0.07 0.00 -2.07 0.00 0.00 38.32 36.40 2rkf h ASN 88 CO 0.02 0.15 -2.38 0.18 0.07 0.00 0.00 177.43 175.47 2rkf n LEU 89 N -4.45 0.22 -0.33 6.14 4.77 -0.68 -4.45 117.00 118.22 2rkf n LEU 89 Ca 0.12 -0.01 0.04 0.00 -0.03 0.00 0.00 56.01 56.12 2rkf n LEU 89 Cb 0.50 0.39 0.18 0.00 -2.33 0.00 0.00 43.42 42.17 2rkf n LEU 89 CO 0.34 0.53 1.20 -0.07 -1.33 0.00 0.00 177.39 178.06 2rkf h LEU 90 N 0.00 0.84 -1.91 2.23 3.38 -0.90 -0.83 115.31 118.12 2rkf h LEU 90 Ca -0.55 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 2rkf h LEU 90 Cb 2.21 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.82 2rkf h LEU 90 CO 0.02 0.49 0.02 0.71 0.09 0.00 0.00 178.44 179.78 2rkf h THR 91 N 0.95 1.03 0.00 0.22 1.35 -1.61 -2.07 112.91 112.77 2rkf h THR 91 Ca 0.43 -0.08 -0.05 0.00 -0.55 0.00 0.00 66.41 66.15 2rkf h THR 91 Cb 0.32 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 67.70 2rkf h THR 91 CO -0.22 0.03 -0.25 1.56 -0.25 0.00 0.00 175.52 176.38 2rkf h GLN 92 N 0.08 0.00 -0.67 4.72 1.08 -1.37 -2.85 115.11 116.10 2rkf h GLN 92 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2rkf h GLN 92 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2rkf h GLN 92 CO -0.00 0.25 0.00 0.44 -0.95 0.00 0.00 178.83 178.57 2rkf n ILE 93 N -3.26 1.48 -2.36 2.54 -5.35 -0.90 -4.95 119.36 106.57 2rkf n ILE 93 Ca 0.01 -1.06 -0.14 0.00 -0.27 0.00 0.00 62.75 61.29 2rkf n ILE 93 Cb 0.54 0.22 -0.00 0.00 -1.74 0.00 0.00 39.64 38.65 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 1.27 -0.20 3.71 3.28 0.00 -1.08 -4.96 105.19 107.23 2rkf n GLY 94 Ca 0.24 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 0.97 1.45 -0.11 0.00 -4.23 -1.26 -4.76 115.64 107.71 2rkf s THR 96 Ca 0.56 -1.83 -0.09 0.00 -1.18 0.00 0.00 61.69 59.15 2rkf s THR 96 Cb -0.27 -1.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.87 2rkf s THR 96 CO 0.29 -0.44 0.21 -0.76 -0.54 0.00 0.00 174.62 173.38 2rkf s LEU 97 N -2.63 4.38 -0.07 4.79 1.43 -1.26 -5.09 118.68 120.23 2rkf s LEU 97 Ca 0.12 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 2rkf s LEU 97 Cb -0.04 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.99 2rkf s LEU 97 CO 0.04 0.35 -0.12 0.20 0.23 0.00 0.00 176.35 177.05 2rkf s ASN 98 N -0.80 1.77 0.00 2.29 -0.87 -1.26 -5.29 114.94 110.78 2rkf s ASN 98 Ca 0.16 -0.30 0.00 0.00 -1.57 0.00 0.00 52.86 51.16 2rkf s ASN 98 Cb -0.13 -0.82 0.00 0.00 -0.02 0.00 0.00 41.25 40.28 2rkf s ASN 98 CO 0.05 0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.84