#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djw s ILE 2 N 0.00 4.92 0.01 1.12 1.01 0.43 -4.77 121.20 123.93 2djw s ILE 2 Ca 0.00 1.25 -0.13 0.00 0.00 0.00 0.00 60.65 61.77 2djw s ILE 2 Cb 0.00 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 2djw s ILE 2 CO 0.00 0.41 0.39 -0.89 0.00 0.00 0.00 174.94 174.85 2djw s THR 3 N -0.13 5.07 -0.03 2.92 2.01 -1.26 0.23 115.64 124.45 2djw s THR 3 Ca 0.31 0.71 -0.06 0.00 0.31 0.00 0.00 61.69 62.96 2djw s THR 3 Cb -0.18 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 68.66 2djw s THR 3 CO 0.17 0.51 0.14 0.00 -0.69 0.00 0.00 174.62 174.75 2djw s ALA 4 N -1.16 -0.33 -0.37 7.40 0.00 -0.98 -0.38 121.76 125.93 2djw s ALA 4 Ca 0.26 0.14 -0.10 0.00 0.00 0.00 0.00 51.96 52.26 2djw s ALA 4 Cb -0.16 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 22.92 2djw s ALA 4 CO 0.14 -0.14 0.19 -0.06 0.00 0.00 0.00 175.76 175.89 2djw s PHE 5 N -0.63 3.26 -0.25 0.00 0.08 -0.65 -0.62 117.98 119.16 2djw s PHE 5 Ca -0.07 -1.16 -0.20 0.00 0.12 0.00 0.00 56.93 55.62 2djw s PHE 5 Cb -0.04 -2.45 -0.02 0.00 -0.57 0.00 0.00 43.02 39.93 2djw s PHE 5 CO 0.01 -0.70 0.61 0.08 -0.10 0.00 0.00 175.22 175.12 2djw s VAL 6 N 1.50 5.00 -0.29 -0.44 1.01 0.73 -1.42 120.40 126.49 2djw s VAL 6 Ca 0.01 1.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.92 2djw s VAL 6 Cb -0.20 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2djw s VAL 6 CO 0.05 0.05 0.41 -0.76 0.00 0.00 0.00 175.10 174.85 2djw s LEU 7 N 2.40 4.14 -0.18 3.92 1.02 0.52 -0.28 118.68 130.22 2djw s LEU 7 Ca 0.26 0.20 0.01 0.00 0.02 0.00 0.00 54.13 54.62 2djw s LEU 7 Cb -0.16 -2.47 0.02 0.00 0.02 0.00 0.00 46.19 43.61 2djw s LEU 7 CO 0.09 -0.26 -0.20 -0.63 0.02 0.00 0.00 176.35 175.37 2djw s ILE 8 N 2.14 2.06 -0.41 -0.59 1.01 0.32 -0.32 121.20 125.43 2djw s ILE 8 Ca 0.16 -0.96 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 2djw s ILE 8 Cb -0.16 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.46 2djw s ILE 8 CO 0.11 0.52 0.45 -0.60 0.00 0.00 0.00 174.94 175.41 2djw s ARG 9 N 1.29 3.21 0.35 2.79 3.52 -0.59 -1.63 118.95 127.89 2djw s ARG 9 Ca 0.05 -0.64 0.07 0.00 -0.13 0.00 0.00 55.73 55.07 2djw s ARG 9 Cb -0.13 -3.93 -0.01 0.00 -1.56 0.00 0.00 34.95 29.32 2djw s ARG 9 CO -0.13 -0.80 0.48 -1.25 -0.81 0.00 0.00 175.30 172.80 2djw s PRO 10 N 2.18 3.08 0.39 5.12 0.04 -1.26 -0.49 135.00 144.07 2djw s PRO 10 Ca 0.13 -1.04 -0.27 0.00 0.04 0.00 0.00 61.00 59.86 2djw s PRO 10 Cb -0.17 -2.81 -0.09 0.00 0.04 0.00 0.00 34.50 31.47 2djw s PRO 10 CO 0.14 0.02 1.35 0.50 0.04 0.00 0.00 177.00 179.04 2djw s ARG 11 N -4.20 4.02 0.33 4.56 3.52 -0.26 -4.83 118.95 122.10 2djw s ARG 11 Ca 0.46 2.27 0.11 0.00 -0.13 0.00 0.00 55.73 58.44 2djw s ARG 11 Cb -0.10 -2.83 0.90 0.00 -1.56 0.00 0.00 34.95 31.36 2djw s ARG 11 CO 0.31 -0.49 1.76 0.78 -0.81 0.00 0.00 175.30 176.85 2djw h GLY 12 N 2.81 1.69 1.69 8.12 0.00 -1.98 -1.03 103.07 114.36 2djw h GLY 12 Ca -0.50 -0.30 -0.21 0.00 0.00 0.00 0.00 47.33 46.32 2djw h GLY 12 CO 0.63 -0.16 -0.92 3.45 0.00 0.00 0.00 176.54 179.54 2djw h ASN 13 N 0.59 0.37 0.84 0.19 7.08 -1.99 -3.29 115.58 119.35 2djw h ASN 13 Ca 0.61 -0.30 0.00 0.00 -3.08 0.00 0.00 56.30 53.53 2djw h ASN 13 Cb 1.19 -0.11 0.00 0.00 -2.08 0.00 0.00 38.32 37.32 2djw h ASN 13 CO -0.40 1.11 0.00 0.03 -2.08 0.00 0.00 177.43 176.09 2djw h ARG 14 N 0.15 0.00 -0.15 4.14 2.47 -1.56 -3.40 114.38 116.04 2djw h ARG 14 Ca -0.06 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.67 2djw h ARG 14 Cb 1.55 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.85 2djw h ARG 14 CO 0.15 0.00 -0.13 0.28 0.56 0.00 0.00 179.97 180.83 2djw h VAL 15 N 0.00 0.00 0.00 2.04 2.07 -1.60 0.61 116.25 119.36 2djw h VAL 15 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2djw h VAL 15 Cb 0.42 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2djw h VAL 15 CO 0.00 0.00 -0.04 -0.61 0.02 0.00 0.00 177.57 176.94 2djw h GLN 16 N -0.06 0.00 0.25 1.57 4.15 -1.87 -1.32 115.11 117.83 2djw h GLN 16 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 2djw h GLN 16 Cb 0.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2djw h GLN 16 CO -0.17 0.04 -0.12 0.00 -1.93 0.00 0.00 178.83 176.65 2djw h ALA 17 N 1.96 -0.33 -0.82 3.38 0.00 -1.63 -3.31 119.26 118.51 2djw h ALA 17 Ca -0.00 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 54.95 2djw h ALA 17 Cb 0.08 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2djw h ALA 17 CO 0.00 -0.33 0.54 -0.07 0.00 0.00 0.00 179.25 179.40 2djw h LEU 18 N -1.05 0.44 -0.87 0.00 3.38 0.62 0.13 115.31 117.96 2djw h LEU 18 Ca -0.03 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2djw h LEU 18 Cb 0.36 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2djw h LEU 18 CO 0.06 0.21 0.56 1.23 0.09 0.00 0.00 178.44 180.59 2djw h GLY 19 N 0.46 1.24 2.00 0.83 0.00 -1.41 0.41 103.07 106.60 2djw h GLY 19 Ca 0.41 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 2djw h GLY 19 CO -0.15 0.47 -0.47 0.83 0.00 0.00 0.00 176.54 177.22 2djw h GLU 20 N 1.19 0.00 0.00 4.80 5.08 -0.86 -0.75 114.58 124.04 2djw h GLU 20 Ca 0.32 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.50 2djw h GLU 20 Cb -0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 2djw h GLU 20 CO -0.07 0.47 -0.83 0.00 -1.00 0.00 0.00 179.01 177.59 2djw h ALA 21 N 1.53 0.51 -0.11 3.43 0.00 -1.05 -3.30 119.26 120.27 2djw h ALA 21 Ca -0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 54.91 54.09 2djw h ALA 21 Cb 1.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2djw h ALA 21 CO 0.06 1.03 -0.18 0.82 0.00 0.00 0.00 179.25 180.99 2djw h ILE 22 N 0.00 1.38 -0.71 0.00 1.08 -0.61 -3.29 117.51 115.35 2djw h ILE 22 Ca -0.01 -1.43 0.17 0.00 -0.39 0.00 0.00 64.86 63.21 2djw h ILE 22 Cb 1.59 2.05 -0.04 0.00 -3.07 0.00 0.00 36.82 37.35 2djw h ILE 22 CO 0.11 0.41 0.49 0.00 -0.69 0.00 0.00 178.15 178.47 2djw h ALA 23 N 0.54 2.36 -0.46 1.87 0.00 -1.23 -1.43 119.26 120.92 2djw h ALA 23 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2djw h ALA 23 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2djw h ALA 23 CO 0.04 -0.57 0.00 0.39 0.00 0.00 0.00 179.25 179.11 2djw n GLU 24 N -4.42 3.47 -3.01 0.00 -0.58 -1.24 -4.80 120.64 110.06 2djw n GLU 24 Ca 0.14 -2.23 -0.37 0.00 -0.42 0.00 0.00 57.16 54.28 2djw n GLU 24 Cb 0.64 -1.90 -0.06 0.00 -0.57 0.00 0.00 31.44 29.54 2djw n GLU 24 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2djw s LEU 25 N -1.77 4.37 0.50 -4.62 1.43 -0.54 -4.99 118.68 113.07 2djw s LEU 25 Ca 0.39 1.55 0.16 0.00 -1.03 0.00 0.00 54.13 55.20 2djw s LEU 25 Cb 0.28 -3.66 1.22 0.00 0.03 0.00 0.00 46.19 44.05 2djw s LEU 25 CO 0.15 0.03 2.10 -0.65 0.23 0.00 0.00 176.35 178.21 2djw h PRO 26 N 3.46 0.00 -0.02 1.29 0.11 -1.89 -3.01 132.00 131.94 2djw h PRO 26 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2djw h PRO 26 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2djw h PRO 26 CO 0.65 0.06 -0.25 1.04 -0.21 0.00 0.00 178.00 179.29 2djw n GLN 27 N -4.41 1.50 -3.08 1.05 3.00 -1.26 -4.88 117.38 109.30 2djw n GLN 27 Ca -0.03 -1.16 -0.43 0.00 -0.01 0.00 0.00 57.00 55.37 2djw n GLN 27 Cb 0.14 -1.48 -0.06 0.00 0.00 0.00 0.00 30.24 28.85 2djw n GLN 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2djw s VAL 28 N -2.30 4.78 0.04 5.09 1.01 -1.14 -0.98 120.40 126.90 2djw s VAL 28 Ca 0.24 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 2djw s VAL 28 Cb 0.19 -4.28 -0.31 0.00 0.00 0.00 0.00 36.38 31.98 2djw s VAL 28 CO 0.46 -0.72 1.02 0.00 0.00 0.00 0.00 175.10 175.86 2djw h ALA 29 N 8.97 0.02 -3.16 5.51 0.00 -1.38 -3.47 119.26 125.75 2djw h ALA 29 Ca -0.26 -0.92 -0.17 0.00 0.00 0.00 0.00 54.91 53.55 2djw h ALA 29 Cb 1.09 0.14 -0.25 0.00 0.00 0.00 0.00 17.79 18.77 2djw h ALA 29 CO 0.94 0.89 -0.52 -1.21 0.00 0.00 0.00 179.25 179.35 2djw s GLU 30 N -2.62 0.28 -0.16 0.00 2.02 -1.12 -5.02 118.70 112.08 2djw s GLU 30 Ca -0.07 0.04 -0.09 0.00 0.02 0.00 0.00 54.97 54.86 2djw s GLU 30 Cb 0.06 0.13 0.05 0.00 0.10 0.00 0.00 34.13 34.47 2djw s GLU 30 CO 0.90 -0.05 0.39 0.54 0.02 0.00 0.00 175.26 177.06 2djw s VAL 31 N -0.36 -0.02 0.08 2.63 0.11 -1.26 0.19 120.40 121.77 2djw s VAL 31 Ca -0.04 0.09 0.03 0.00 -2.93 0.00 0.00 61.98 59.13 2djw s VAL 31 Cb -0.03 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 2djw s VAL 31 CO 0.01 0.04 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.40 2djw s TYR 32 N 1.20 0.97 -0.15 1.54 2.02 -0.26 -4.99 117.35 117.69 2djw s TYR 32 Ca -0.08 -0.61 -0.21 0.00 -0.37 0.00 0.00 57.07 55.80 2djw s TYR 32 Cb -0.08 -0.55 -0.03 0.00 -0.40 0.00 0.00 41.96 40.91 2djw s TYR 32 CO -0.10 -0.03 0.62 0.45 -1.57 0.00 0.00 175.55 174.92 2djw s SER 33 N -2.19 6.77 0.17 2.29 0.15 -1.26 -1.56 113.70 118.06 2djw s SER 33 Ca 0.01 0.93 0.06 0.00 0.70 0.00 0.00 55.95 57.65 2djw s SER 33 Cb -0.05 -2.35 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 2djw s SER 33 CO 0.00 -0.17 -0.12 0.68 1.20 0.00 0.00 173.24 174.82 2djw s VAL 34 N 1.34 1.41 0.58 4.45 -7.23 0.11 -4.97 120.40 116.09 2djw s VAL 34 Ca 0.31 -2.08 -0.16 0.00 -1.81 0.00 0.00 61.98 58.23 2djw s VAL 34 Cb -0.16 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 2djw s VAL 34 CO 0.12 -0.65 1.05 0.42 -0.31 0.00 0.00 175.10 175.74 2djw s THR 35 N -3.05 3.81 0.00 5.32 -4.23 -1.26 -4.51 115.64 111.72 2djw s THR 35 Ca 0.18 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 2djw s THR 35 Cb 0.00 -3.40 0.00 0.00 1.34 0.00 0.00 72.50 70.45 2djw s THR 35 CO 0.03 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 2djw n GLY 36 N -0.87 -0.35 0.00 3.99 0.00 -1.26 -4.70 105.19 102.00 2djw n GLY 36 Ca 0.09 -2.23 0.11 0.00 0.00 0.00 0.00 46.02 43.99 2djw n GLY 36 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djw n PRO 37 N 0.00 0.35 -4.68 1.61 -0.04 -1.26 -4.53 135.00 126.45 2djw n PRO 37 Ca 0.00 0.06 -0.24 0.00 -0.04 0.00 0.00 63.50 63.29 2djw n PRO 37 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 2djw n PRO 37 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2djw s TYR 38 N -2.54 1.43 -0.09 0.54 2.02 -1.26 -4.88 117.35 112.57 2djw s TYR 38 Ca 0.22 -0.38 -0.07 0.00 -0.37 0.00 0.00 57.07 56.47 2djw s TYR 38 Cb 0.16 -0.97 -0.28 0.00 -0.40 0.00 0.00 41.96 40.47 2djw s TYR 38 CO 0.35 -0.13 0.49 -0.44 -1.57 0.00 0.00 175.55 174.25 2djw h ASP 39 N 6.23 0.46 -3.95 2.29 3.32 -1.72 -3.42 116.42 119.63 2djw h ASP 39 Ca -0.33 -0.90 -0.69 0.00 0.02 0.00 0.00 57.03 55.14 2djw h ASP 39 Cb 1.17 -0.15 -0.22 0.00 0.22 0.00 0.00 39.33 40.35 2djw h ASP 39 CO 0.48 1.79 -0.76 -0.76 -1.72 0.00 0.00 179.24 178.27 2djw s LEU 40 N -7.08 2.79 -0.11 1.55 1.43 -0.65 0.06 118.68 116.68 2djw s LEU 40 Ca -0.19 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 2djw s LEU 40 Cb 0.06 -1.59 -0.00 0.00 0.03 0.00 0.00 46.19 44.69 2djw s LEU 40 CO 0.80 0.32 -0.22 -0.69 0.23 0.00 0.00 176.35 176.80 2djw s VAL 41 N -0.80 2.23 -0.26 -1.59 1.01 -0.60 -0.52 120.40 119.87 2djw s VAL 41 Ca 0.13 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 2djw s VAL 41 Cb -0.11 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.40 2djw s VAL 41 CO 0.02 0.55 0.01 0.00 0.00 0.00 0.00 175.10 175.69 2djw s ALA 42 N 0.43 2.93 -0.47 5.51 0.00 0.62 -1.10 121.76 129.67 2djw s ALA 42 Ca -0.16 -1.33 -0.26 0.00 0.00 0.00 0.00 51.96 50.21 2djw s ALA 42 Cb -0.17 -1.91 0.03 0.00 0.00 0.00 0.00 23.12 21.06 2djw s ALA 42 CO 0.07 -0.71 0.98 -1.17 0.00 0.00 0.00 175.76 174.93 2djw s LEU 43 N 1.47 3.92 0.01 0.00 2.96 0.13 -0.19 118.68 126.98 2djw s LEU 43 Ca 0.03 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 2djw s LEU 43 Cb -0.16 -3.25 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 2djw s LEU 43 CO -0.01 -1.12 0.08 -0.69 -1.32 0.00 0.00 176.35 173.29 2djw s VAL 44 N 3.95 4.67 -0.14 1.68 1.01 0.21 -0.94 120.40 130.83 2djw s VAL 44 Ca 0.39 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2djw s VAL 44 Cb -0.09 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.15 2djw s VAL 44 CO 0.27 0.31 -0.14 -0.13 0.00 0.00 0.00 175.10 175.41 2djw s ARG 45 N -1.86 2.19 0.14 2.72 1.81 -0.15 -2.33 118.95 121.47 2djw s ARG 45 Ca 0.24 -0.52 0.09 0.00 -1.72 0.00 0.00 55.73 53.82 2djw s ARG 45 Cb -0.12 -2.00 -0.04 0.00 -0.45 0.00 0.00 34.95 32.34 2djw s ARG 45 CO 0.15 -0.20 -0.15 -0.51 -0.68 0.00 0.00 175.30 173.91 2djw s LEU 46 N 1.41 2.80 -0.06 2.53 1.43 0.14 -4.78 118.68 122.14 2djw s LEU 46 Ca 0.03 -0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 52.31 2djw s LEU 46 Cb -0.13 -1.58 -0.28 0.00 0.03 0.00 0.00 46.19 44.23 2djw s LEU 46 CO -0.09 0.15 0.91 0.50 0.23 0.00 0.00 176.35 178.05 2djw h LYS 47 N 3.40 0.22 0.00 1.70 1.63 -1.95 0.12 116.57 121.69 2djw h LYS 47 Ca -0.48 -0.33 -0.22 0.00 -0.85 0.00 0.00 60.65 58.76 2djw h LYS 47 Cb 1.18 0.12 -0.06 0.00 -0.60 0.00 0.00 32.23 32.87 2djw h LYS 47 CO 0.49 1.12 -0.22 -0.40 -3.45 0.00 0.00 179.45 177.00 2djw n ASP 48 N -4.31 -0.37 0.07 4.20 5.68 -1.26 -4.24 116.55 116.32 2djw n ASP 48 Ca -0.12 -2.05 -0.12 0.00 -0.50 0.00 0.00 54.79 52.00 2djw n ASP 48 Cb 0.67 0.84 -0.03 0.00 -1.14 0.00 0.00 41.12 41.46 2djw n ASP 48 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2djw h VAL 49 N 1.52 1.41 -0.06 2.12 2.07 -1.98 -3.11 116.25 118.21 2djw h VAL 49 Ca -0.11 -2.42 0.02 0.00 0.82 0.00 0.00 66.70 65.00 2djw h VAL 49 Cb 0.58 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2djw h VAL 49 CO 0.17 0.72 0.10 -0.33 0.02 0.00 0.00 177.57 178.25 2djw h GLU 50 N 0.22 0.00 0.00 1.57 3.07 -2.02 -1.29 114.58 116.13 2djw h GLU 50 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2djw h GLU 50 Cb 1.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.44 2djw h GLU 50 CO 0.15 0.00 0.00 -1.91 -1.40 0.00 0.00 179.01 175.85 2djw n GLU 51 N -3.53 0.68 0.03 2.33 2.13 -1.18 -2.25 120.64 118.86 2djw n GLU 51 Ca -0.01 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.73 2djw n GLU 51 Cb 0.19 -1.39 0.08 0.00 0.27 0.00 0.00 31.44 30.59 2djw n GLU 51 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2djw h LEU 52 N 0.00 0.50 -0.99 4.31 3.38 -1.44 -2.94 115.31 118.14 2djw h LEU 52 Ca 0.00 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.77 2djw h LEU 52 Cb 0.00 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.54 2djw h LEU 52 CO 0.00 0.97 0.63 -0.78 0.09 0.00 0.00 178.44 179.35 2djw h ASP 53 N 0.34 1.00 -0.39 -0.43 3.58 -1.67 0.12 116.42 118.96 2djw h ASP 53 Ca 0.00 0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.32 2djw h ASP 53 Cb 1.10 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 2djw h ASP 53 CO 0.10 0.62 -0.34 0.44 -2.88 0.00 0.00 179.24 177.18 2djw h ASP 54 N 1.12 0.99 0.74 2.28 3.32 -1.71 0.94 116.42 124.11 2djw h ASP 54 Ca 0.44 -0.43 -0.19 0.00 0.02 0.00 0.00 57.03 56.87 2djw h ASP 54 Cb 0.23 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2djw h ASP 54 CO -0.19 1.23 -1.37 1.62 -1.72 0.00 0.00 179.24 178.80 2djw h VAL 55 N 0.78 0.64 0.00 -1.35 3.04 -1.33 -2.95 116.25 115.08 2djw h VAL 55 Ca 0.07 -2.20 0.00 0.00 -1.01 0.00 0.00 66.70 63.57 2djw h VAL 55 Cb 0.92 2.17 0.00 0.00 -2.01 0.00 0.00 31.29 32.37 2djw h VAL 55 CO 0.09 0.36 0.00 0.52 -1.01 0.00 0.00 177.57 177.53 2djw n VAL 56 N -2.97 0.00 0.51 1.51 0.31 0.40 -1.53 118.33 116.56 2djw n VAL 56 Ca -0.10 0.39 -0.20 0.00 -0.01 0.00 0.00 64.34 64.42 2djw n VAL 56 Cb 0.87 -1.38 -0.10 0.00 -0.91 0.00 0.00 33.84 32.33 2djw n VAL 56 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2djw h THR 57 N 0.00 0.00 -0.21 2.52 2.02 -1.53 0.18 112.91 115.89 2djw h THR 57 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2djw h THR 57 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 2djw h THR 57 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 2djw n GLN 58 N -5.52 1.72 0.00 6.66 3.00 0.28 -3.33 117.38 120.17 2djw n GLN 58 Ca -0.16 -0.85 0.00 0.00 -0.01 0.00 0.00 57.00 55.98 2djw n GLN 58 Cb 0.52 -1.34 0.00 0.00 0.00 0.00 0.00 30.24 29.42 2djw n GLN 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2djw n GLY 59 N 0.66 0.87 0.17 1.08 0.00 -0.99 -4.79 105.19 102.19 2djw n GLY 59 Ca 0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 2djw n GLY 59 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2djw h ILE 60 N 0.00 0.82 0.00 -0.61 2.04 -0.28 -2.64 117.51 116.84 2djw h ILE 60 Ca 0.00 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2djw h ILE 60 Cb 0.00 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2djw h ILE 60 CO 0.00 0.05 -0.02 -0.07 0.00 0.00 0.00 178.15 178.11 2djw h LEU 61 N 0.26 0.00 -0.65 1.44 3.38 -0.85 -3.07 115.31 115.82 2djw h LEU 61 Ca 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2djw h LEU 61 Cb 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2djw h LEU 61 CO -0.23 0.02 0.21 0.77 0.09 0.00 0.00 178.44 179.30 2djw h SER 62 N 0.00 0.95 -4.09 -0.43 4.64 -1.47 -3.46 113.55 109.70 2djw h SER 62 Ca -0.00 -0.21 -0.56 0.00 -0.47 0.00 0.00 61.79 60.56 2djw h SER 62 Cb 0.66 -0.25 0.15 0.00 -0.31 0.00 0.00 62.40 62.65 2djw h SER 62 CO 0.00 0.90 0.55 -0.76 -0.87 0.00 0.00 176.83 176.65 2djw s LEU 63 N -9.64 3.65 0.16 5.97 1.43 -1.16 -4.96 118.68 114.12 2djw s LEU 63 Ca -0.12 2.68 -0.30 0.00 -1.03 0.00 0.00 54.13 55.35 2djw s LEU 63 Cb 0.14 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 41.76 2djw s LEU 63 CO 0.82 -1.89 1.27 -0.70 0.23 0.00 0.00 176.35 176.07 2djw s GLU 64 N -3.24 4.42 0.00 1.70 2.56 -1.26 -3.90 118.70 118.97 2djw s GLU 64 Ca 0.80 1.95 0.00 0.00 0.00 0.00 0.00 54.97 57.71 2djw s GLU 64 Cb -0.39 -3.25 0.00 0.00 2.00 0.00 0.00 34.13 32.50 2djw s GLU 64 CO 0.42 -0.23 0.00 0.41 -0.56 0.00 0.00 175.26 175.30 2djw n GLY 65 N 2.65 0.66 3.62 -1.50 0.00 -1.26 -5.00 105.19 104.36 2djw n GLY 65 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2djw n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2djw s VAL 66 N -2.36 4.82 -0.15 1.61 -7.23 -1.25 -1.10 120.40 114.73 2djw s VAL 66 Ca 0.00 1.28 -0.13 0.00 -1.81 0.00 0.00 61.98 61.31 2djw s VAL 66 Cb 0.00 -4.12 -0.10 0.00 0.56 0.00 0.00 36.38 32.72 2djw s VAL 66 CO 0.00 -0.18 0.08 -0.33 -0.31 0.00 0.00 175.10 174.37 2djw h GLU 67 N 7.98 0.00 -5.19 4.82 5.08 -1.10 -3.49 114.58 122.68 2djw h GLU 67 Ca -0.24 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.74 2djw h GLU 67 Cb 1.10 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.15 2djw h GLU 67 CO 0.87 0.41 -0.76 1.03 -1.00 0.00 0.00 179.01 179.56 2djw s ARG 68 N -2.14 0.84 -0.01 2.33 1.81 -0.88 -5.01 118.95 115.88 2djw s ARG 68 Ca -0.16 -1.04 0.01 0.00 -1.72 0.00 0.00 55.73 52.81 2djw s ARG 68 Cb 0.02 -0.72 0.01 0.00 -0.45 0.00 0.00 34.95 33.81 2djw s ARG 68 CO 0.34 0.14 -0.02 -0.08 -0.68 0.00 0.00 175.30 175.00 2djw s THR 69 N -1.75 0.24 -0.13 0.02 -1.32 -1.26 -1.54 115.64 109.91 2djw s THR 69 Ca 0.01 -0.05 -0.01 0.00 -1.21 0.00 0.00 61.69 60.43 2djw s THR 69 Cb -0.07 -0.26 0.04 0.00 -1.51 0.00 0.00 72.50 70.70 2djw s THR 69 CO 0.02 0.11 -0.03 -0.70 -2.21 0.00 0.00 174.62 171.81 2djw s GLU 70 N 0.38 1.09 -0.30 7.08 2.12 0.57 -4.98 118.70 124.66 2djw s GLU 70 Ca -0.04 -0.26 -0.14 0.00 0.36 0.00 0.00 54.97 54.89 2djw s GLU 70 Cb -0.07 -1.62 -0.03 0.00 0.26 0.00 0.00 34.13 32.67 2djw s GLU 70 CO -0.01 -0.39 0.34 0.99 -0.54 0.00 0.00 175.26 175.66 2djw s THR 71 N 1.79 5.19 -0.67 -1.70 2.01 -1.26 -0.35 115.64 120.64 2djw s THR 71 Ca 0.03 0.30 -0.16 0.00 0.31 0.00 0.00 61.69 62.17 2djw s THR 71 Cb -0.14 -3.72 0.15 0.00 0.01 0.00 0.00 72.50 68.79 2djw s THR 71 CO -0.07 0.07 0.68 -0.76 -0.69 0.00 0.00 174.62 173.85 2djw s LEU 72 N 2.01 6.04 -0.23 4.42 1.02 -0.51 -4.98 118.68 126.45 2djw s LEU 72 Ca 0.13 -1.97 -0.22 0.00 0.02 0.00 0.00 54.13 52.09 2djw s LEU 72 Cb -0.16 -2.25 -0.02 0.00 0.02 0.00 0.00 46.19 43.78 2djw s LEU 72 CO 0.11 -0.87 0.71 -0.22 0.02 0.00 0.00 176.35 176.10 2djw s LEU 73 N 1.58 4.10 -0.20 1.79 0.20 -1.26 -1.64 118.68 123.25 2djw s LEU 73 Ca 0.12 0.89 -0.29 0.00 0.69 0.00 0.00 54.13 55.53 2djw s LEU 73 Cb -0.21 -3.00 -0.01 0.00 -0.43 0.00 0.00 46.19 42.54 2djw s LEU 73 CO -0.01 -0.39 1.24 0.00 -0.29 0.00 0.00 176.35 176.90 2djw s ALA 74 N 2.43 3.62 -0.03 5.97 0.00 0.48 -4.91 121.76 129.32 2djw s ALA 74 Ca 0.31 0.36 0.12 0.00 0.00 0.00 0.00 51.96 52.74 2djw s ALA 74 Cb -0.16 -3.64 -0.18 0.00 0.00 0.00 0.00 23.12 19.15 2djw s ALA 74 CO 0.09 -1.25 0.26 1.97 0.00 0.00 0.00 175.76 176.83 2djw n PHE 75 N 6.73 0.00 -4.15 0.00 1.16 -1.26 -4.33 117.46 115.61 2djw n PHE 75 Ca 0.14 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.55 2djw n PHE 75 Cb 0.45 -0.26 -0.15 0.00 -1.61 0.00 0.00 39.48 37.92 2djw n PHE 75 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 2djw s ARG 76 N -2.79 0.49 0.23 3.97 3.52 -1.26 -5.14 118.95 117.98 2djw s ARG 76 Ca -0.04 -0.15 0.05 0.00 -0.13 0.00 0.00 55.73 55.46 2djw s ARG 76 Cb 0.07 -0.50 -0.03 0.00 -1.56 0.00 0.00 34.95 32.93 2djw s ARG 76 CO 0.48 0.06 0.32 0.00 -0.81 0.00 0.00 175.30 175.35 2djw s ALA 77 N 0.16 3.87 -0.29 6.12 0.00 -1.26 -5.10 121.76 125.26 2djw s ALA 77 Ca -0.02 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2djw s ALA 77 Cb -0.05 -1.66 0.09 0.00 0.00 0.00 0.00 23.12 21.49 2djw s ALA 77 CO -0.00 0.27 0.05 0.71 0.00 0.00 0.00 175.76 176.79 2djw s TYR 78 N -1.98 2.20 0.89 0.00 2.02 -1.26 -5.14 117.35 114.08 2djw s TYR 78 Ca 0.34 -1.91 -0.11 0.00 -0.37 0.00 0.00 57.07 55.02 2djw s TYR 78 Cb -0.09 -1.86 0.13 0.00 -0.40 0.00 0.00 41.96 39.74 2djw s TYR 78 CO 0.28 -0.84 1.10 -1.25 -1.57 0.00 0.00 175.55 173.27 2djw s PRO 79 N 1.45 1.28 0.00 -1.71 0.04 -1.26 -5.34 135.00 129.46 2djw s PRO 79 Ca 0.06 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2djw s PRO 79 Cb -0.18 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2djw s PRO 79 CO -0.16 -2.33 0.00 0.54 0.04 0.00 0.00 177.00 175.09