#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 5.17 -0.05 1.12 1.01 0.26 -4.86 121.20 123.85 2djw s ILE 2 Ca 0.00 0.71 -0.06 0.00 0.00 0.00 0.00 60.65 61.30 2djw s ILE 2 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2djw s ILE 2 CO 0.00 0.51 0.18 -0.89 0.00 0.00 0.00 174.94 174.75 2djw s THR 3 N -0.52 5.44 0.03 2.92 2.01 -1.26 0.14 115.64 124.39 2djw s THR 3 Ca 0.21 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.30 2djw s THR 3 Cb -0.15 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 2djw s THR 3 CO 0.10 0.47 -0.05 0.00 -0.69 0.00 0.00 174.62 174.44 2djw s ALA 4 N -1.18 0.32 -0.30 7.40 0.00 -0.98 -0.57 121.76 126.45 2djw s ALA 4 Ca 0.22 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 2djw s ALA 4 Cb -0.13 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.10 2djw s ALA 4 CO 0.12 -0.08 0.05 -0.06 0.00 0.00 0.00 175.76 175.79 2djw s PHE 5 N -1.26 3.17 -0.33 0.00 0.08 0.84 -1.70 117.98 118.77 2djw s PHE 5 Ca -0.11 -1.30 -0.12 0.00 0.12 0.00 0.00 56.93 55.51 2djw s PHE 5 Cb -0.09 -2.20 -0.01 0.00 -0.57 0.00 0.00 43.02 40.15 2djw s PHE 5 CO -0.00 -0.67 0.22 0.08 -0.10 0.00 0.00 175.22 174.74 2djw s VAL 6 N 1.41 5.09 -0.23 -0.44 1.01 -0.19 0.44 120.40 127.49 2djw s VAL 6 Ca 0.00 -0.29 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 2djw s VAL 6 Cb -0.18 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2djw s VAL 6 CO 0.01 -0.00 0.35 -0.76 0.00 0.00 0.00 175.10 174.70 2djw s LEU 7 N 1.69 4.12 -0.19 3.92 1.02 0.23 -0.03 118.68 129.44 2djw s LEU 7 Ca 0.06 0.39 0.01 0.00 0.02 0.00 0.00 54.13 54.60 2djw s LEU 7 Cb -0.17 -2.42 0.03 0.00 0.02 0.00 0.00 46.19 43.64 2djw s LEU 7 CO 0.09 -0.08 -0.18 -0.63 0.02 0.00 0.00 176.35 175.57 2djw s ILE 8 N 1.46 2.04 -0.51 -0.59 1.09 0.78 0.60 121.20 126.08 2djw s ILE 8 Ca 0.16 -1.02 -0.16 0.00 -1.10 0.00 0.00 60.65 58.53 2djw s ILE 8 Cb -0.15 -1.89 0.09 0.00 -1.06 0.00 0.00 42.46 39.45 2djw s ILE 8 CO 0.08 0.45 0.49 -0.60 -0.10 0.00 0.00 174.94 175.26 2djw s ARG 9 N 1.28 3.01 0.46 2.79 3.52 0.44 -1.57 118.95 128.88 2djw s ARG 9 Ca 0.03 -1.41 -0.10 0.00 -0.13 0.00 0.00 55.73 54.12 2djw s ARG 9 Cb -0.14 -4.20 -0.05 0.00 -1.56 0.00 0.00 34.95 29.00 2djw s ARG 9 CO -0.12 -1.20 0.83 -1.25 -0.81 0.00 0.00 175.30 172.75 2djw s PRO 10 N 1.85 3.71 0.26 5.12 0.04 -1.26 -1.11 135.00 143.60 2djw s PRO 10 Ca 0.06 0.47 -0.30 0.00 0.04 0.00 0.00 61.00 61.27 2djw s PRO 10 Cb -0.26 -2.32 -0.13 0.00 0.04 0.00 0.00 34.50 31.83 2djw s PRO 10 CO 0.06 -0.17 1.33 -2.13 0.04 0.00 0.00 177.00 176.13 2djw n ARG 11 N -1.77 1.94 -0.21 4.56 0.63 0.56 -4.80 116.66 117.57 2djw n ARG 11 Ca 0.03 0.69 0.14 0.00 -0.92 0.00 0.00 57.85 57.79 2djw n ARG 11 Cb 0.54 -2.29 0.46 0.00 0.45 0.00 0.00 32.46 31.62 2djw n ARG 11 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2djw h GLY 12 N 3.55 0.90 1.29 5.14 0.00 -1.97 0.14 103.07 112.12 2djw h GLY 12 Ca -0.45 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.66 2djw h GLY 12 CO 0.71 0.07 -0.01 1.16 0.00 0.00 0.00 176.54 178.46 2djw n ASN 13 N -4.51 0.06 -0.41 0.19 6.94 -1.26 -3.70 115.26 112.58 2djw n ASN 13 Ca 0.16 -0.49 0.10 0.00 -0.02 0.00 0.00 54.58 54.33 2djw n ASN 13 Cb 0.52 -0.17 -0.02 0.00 -2.36 0.00 0.00 39.78 37.76 2djw n ASN 13 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2djw n ARG 14 N -1.14 1.25 -0.17 -3.83 5.12 0.03 -4.66 116.66 113.26 2djw n ARG 14 Ca 0.18 -0.84 -0.08 0.00 -1.93 0.00 0.00 57.85 55.18 2djw n ARG 14 Cb 0.20 -1.42 -0.03 0.00 -1.16 0.00 0.00 32.46 30.05 2djw n ARG 14 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2djw h VAL 15 N 2.00 0.12 0.28 1.55 2.07 -1.63 0.28 116.25 120.92 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 0.67 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2djw h VAL 15 CO 0.00 0.00 -0.14 1.56 0.02 0.00 0.00 177.57 179.01 2djw h GLN 16 N -0.25 -0.37 -0.34 1.57 4.20 -1.89 0.24 115.11 118.27 2djw h GLN 16 Ca 0.18 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.95 2djw h GLN 16 Cb 0.57 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.37 2djw h GLN 16 CO -0.64 -0.07 -0.35 0.00 -0.67 0.00 0.00 178.83 177.10 2djw h ALA 17 N -0.07 -0.53 -0.80 3.87 0.00 -1.79 0.41 119.26 120.34 2djw h ALA 17 Ca -0.04 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.00 2djw h ALA 17 Cb 0.47 1.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.22 2djw h ALA 17 CO 0.06 -0.72 0.43 -0.07 0.00 0.00 0.00 179.25 178.95 2djw h LEU 18 N -0.19 0.58 -0.28 0.00 3.38 -0.45 -1.46 115.31 116.89 2djw h LEU 18 Ca 0.06 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.15 2djw h LEU 18 Cb 0.34 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2djw h LEU 18 CO -0.42 0.31 -0.07 1.23 0.09 0.00 0.00 178.44 179.59 2djw h GLY 19 N 0.70 0.21 1.26 0.83 0.00 0.11 0.05 103.07 106.24 2djw h GLY 19 Ca 0.40 0.09 -0.16 0.00 0.00 0.00 0.00 47.33 47.66 2djw h GLY 19 CO -0.28 -0.10 -0.43 0.83 0.00 0.00 0.00 176.54 176.56 2djw h GLU 20 N 0.01 0.81 -0.62 4.80 5.08 -0.54 -2.50 114.58 121.61 2djw h GLU 20 Ca 0.14 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 2djw h GLU 20 Cb 0.21 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2djw h GLU 20 CO -0.29 1.07 0.31 0.00 -1.00 0.00 0.00 179.01 179.10 2djw h ALA 21 N 0.86 0.80 -0.41 3.43 0.00 -1.11 -3.07 119.26 119.77 2djw h ALA 21 Ca 0.05 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2djw h ALA 21 Cb 1.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2djw h ALA 21 CO 0.10 0.36 -0.08 0.82 0.00 0.00 0.00 179.25 180.44 2djw h ILE 22 N 0.85 1.25 0.00 0.00 1.08 -0.89 -2.19 117.51 117.61 2djw h ILE 22 Ca 0.21 -1.08 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 2djw h ILE 22 Cb 0.10 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 2djw h ILE 22 CO -0.03 0.37 0.00 0.00 -0.69 0.00 0.00 178.15 177.80 2djw h ALA 23 N 1.27 1.00 0.00 1.87 0.00 -1.36 -2.80 119.26 119.24 2djw h ALA 23 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2djw h ALA 23 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2djw h ALA 23 CO 0.03 0.00 -0.66 0.93 0.00 0.00 0.00 179.25 179.55 2djw h GLU 24 N 0.00 0.00 -6.56 0.00 4.39 -1.32 -3.47 114.58 107.61 2djw h GLU 24 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 2djw h GLU 24 Cb 0.18 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 28.89 2djw h GLU 24 CO 0.00 0.44 0.94 1.28 -1.16 0.00 0.00 179.01 180.51 2djw n LEU 25 N -3.15 3.61 -0.06 1.33 4.77 -1.06 -4.92 117.00 117.52 2djw n LEU 25 Ca -0.00 1.06 0.17 0.00 -0.03 0.00 0.00 56.01 57.21 2djw n LEU 25 Cb 0.74 -1.50 0.60 0.00 -2.33 0.00 0.00 43.42 40.93 2djw n LEU 25 CO 0.41 -0.02 1.19 -0.65 -1.33 0.00 0.00 177.39 176.99 2djw h PRO 26 N 6.70 0.19 0.00 3.23 0.11 -1.89 -2.38 132.00 137.96 2djw h PRO 26 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2djw h PRO 26 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2djw h PRO 26 CO 0.93 0.13 -0.33 1.04 -0.21 0.00 0.00 178.00 179.55 2djw n GLN 27 N -4.43 0.09 -2.89 1.05 3.00 -1.26 -4.80 117.38 108.14 2djw n GLN 27 Ca 0.11 0.04 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 2djw n GLN 27 Cb 0.53 -1.57 -0.05 0.00 0.00 0.00 0.00 30.24 29.16 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 -3.05 4.56 0.02 5.09 1.01 -0.90 0.08 120.40 127.21 2djw s VAL 28 Ca 0.11 0.57 0.06 0.00 0.00 0.00 0.00 61.98 62.72 2djw s VAL 28 Cb 0.17 -4.38 -0.24 0.00 0.00 0.00 0.00 36.38 31.93 2djw s VAL 28 CO 0.65 -0.78 0.91 0.00 0.00 0.00 0.00 175.10 175.87 2djw h ALA 29 N 9.03 0.50 -2.81 5.51 0.00 -1.17 -3.47 119.26 126.86 2djw h ALA 29 Ca -0.24 -1.19 -0.13 0.00 0.00 0.00 0.00 54.91 53.34 2djw h ALA 29 Cb 1.08 0.23 -0.23 0.00 0.00 0.00 0.00 17.79 18.87 2djw h ALA 29 CO 0.99 1.36 -0.31 -1.21 0.00 0.00 0.00 179.25 180.09 2djw s GLU 30 N -2.64 0.47 -0.11 0.00 2.02 -1.03 -5.03 118.70 112.39 2djw s GLU 30 Ca -0.04 0.29 -0.08 0.00 0.02 0.00 0.00 54.97 55.16 2djw s GLU 30 Cb 0.08 0.22 0.03 0.00 0.10 0.00 0.00 34.13 34.57 2djw s GLU 30 CO 0.83 -0.08 0.27 0.54 0.02 0.00 0.00 175.26 176.84 2djw s VAL 31 N -0.22 -0.01 0.03 2.63 0.11 -1.26 -0.22 120.40 121.45 2djw s VAL 31 Ca -0.04 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 2djw s VAL 31 Cb -0.03 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 2djw s VAL 31 CO 0.01 0.02 -0.05 -0.31 -3.33 0.00 0.00 175.10 171.44 2djw s TYR 32 N 0.49 0.43 -0.03 1.54 2.02 -0.14 -4.99 117.35 116.66 2djw s TYR 32 Ca -0.03 -0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 55.91 2djw s TYR 32 Cb -0.04 -0.27 -0.03 0.00 -0.40 0.00 0.00 41.96 41.21 2djw s TYR 32 CO -0.03 -0.12 1.10 -1.12 -1.57 0.00 0.00 175.55 173.81 2djw s SER 33 N -1.35 7.18 0.14 2.29 0.01 -1.26 -1.47 113.70 119.24 2djw s SER 33 Ca -0.12 1.74 0.05 0.00 1.31 0.00 0.00 55.95 58.94 2djw s SER 33 Cb -0.09 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 2djw s SER 33 CO -0.00 -0.46 -0.12 0.68 0.41 0.00 0.00 173.24 173.75 2djw s VAL 34 N 1.68 1.29 0.90 3.43 -7.23 -0.41 -4.98 120.40 115.08 2djw s VAL 34 Ca 0.54 -1.93 -0.12 0.00 -1.81 0.00 0.00 61.98 58.66 2djw s VAL 34 Cb -0.23 -1.73 0.13 0.00 0.56 0.00 0.00 36.38 35.12 2djw s VAL 34 CO 0.24 -0.59 1.09 0.42 -0.31 0.00 0.00 175.10 175.94 2djw s THR 35 N -2.79 2.63 0.00 5.32 -4.23 -1.26 -4.60 115.64 110.71 2djw s THR 35 Ca 0.14 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 2djw s THR 35 Cb -0.01 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.15 2djw s THR 35 CO 0.02 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 2djw n GLY 36 N -1.08 -0.93 0.05 3.99 0.00 -1.26 -4.68 105.19 101.28 2djw n GLY 36 Ca 0.07 -2.16 0.14 0.00 0.00 0.00 0.00 46.02 44.07 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 0.36 -4.51 1.61 -0.05 -1.26 -4.66 135.00 126.49 2djw n PRO 37 Ca 0.00 -0.09 -0.31 0.00 -0.05 0.00 0.00 63.50 63.05 2djw n PRO 37 Cb 0.00 -1.50 -0.16 0.00 -0.05 0.00 0.00 33.50 31.79 2djw n PRO 37 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 175.50 176.16 2djw s TYR 38 N -2.71 2.43 0.14 0.54 2.02 -1.26 -4.86 117.35 113.66 2djw s TYR 38 Ca 0.22 -1.24 0.16 0.00 -0.37 0.00 0.00 57.07 55.85 2djw s TYR 38 Cb 0.19 -1.69 0.51 0.00 -0.40 0.00 0.00 41.96 40.57 2djw s TYR 38 CO 0.52 -0.60 1.66 -0.44 -1.57 0.00 0.00 175.55 175.12 2djw h ASP 39 N 7.46 0.00 -4.42 2.29 3.32 -1.71 -3.43 116.42 119.94 2djw h ASP 39 Ca -0.34 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.10 2djw h ASP 39 Cb 1.18 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.44 2djw h ASP 39 CO 0.54 0.46 -0.86 -0.76 -1.72 0.00 0.00 179.24 176.90 2djw s LEU 40 N -7.05 2.07 -0.09 1.55 1.43 -0.61 -1.29 118.68 114.69 2djw s LEU 40 Ca 0.00 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 2djw s LEU 40 Cb 0.11 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 45.24 2djw s LEU 40 CO 0.71 0.25 -0.21 -0.69 0.23 0.00 0.00 176.35 176.64 2djw s VAL 41 N -0.57 1.81 -0.23 -1.59 1.01 -0.54 -0.15 120.40 120.14 2djw s VAL 41 Ca 0.08 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 2djw s VAL 41 Cb -0.08 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 2djw s VAL 41 CO -0.00 0.51 0.05 0.00 0.00 0.00 0.00 175.10 175.65 2djw s ALA 42 N 0.37 3.16 -0.45 5.51 0.00 0.96 -0.97 121.76 130.34 2djw s ALA 42 Ca -0.16 -1.04 -0.27 0.00 0.00 0.00 0.00 51.96 50.48 2djw s ALA 42 Cb -0.17 -1.97 0.03 0.00 0.00 0.00 0.00 23.12 21.00 2djw s ALA 42 CO 0.07 -0.30 1.04 -1.17 0.00 0.00 0.00 175.76 175.39 2djw s LEU 43 N 1.28 3.82 0.05 0.00 2.96 0.69 -1.02 118.68 126.46 2djw s LEU 43 Ca 0.04 0.40 0.05 0.00 -0.22 0.00 0.00 54.13 54.40 2djw s LEU 43 Cb -0.15 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 2djw s LEU 43 CO 0.03 -1.11 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.19 2djw s VAL 44 N 4.05 3.65 -0.12 1.68 1.01 -0.69 -0.61 120.40 129.37 2djw s VAL 44 Ca 0.43 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2djw s VAL 44 Cb -0.09 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.65 2djw s VAL 44 CO 0.27 0.26 -0.17 -0.13 0.00 0.00 0.00 175.10 175.33 2djw s ARG 45 N -1.81 2.44 -0.04 2.72 1.81 0.11 -2.32 118.95 121.86 2djw s ARG 45 Ca 0.20 -0.64 0.06 0.00 -1.72 0.00 0.00 55.73 53.63 2djw s ARG 45 Cb -0.11 -2.04 -0.02 0.00 -0.45 0.00 0.00 34.95 32.33 2djw s ARG 45 CO 0.11 -0.05 -0.23 -0.51 -0.68 0.00 0.00 175.30 173.94 2djw s LEU 46 N 0.94 2.19 0.19 2.53 1.43 0.37 -4.71 118.68 121.63 2djw s LEU 46 Ca -0.07 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.49 2djw s LEU 46 Cb -0.15 -1.40 0.10 0.00 0.03 0.00 0.00 46.19 44.77 2djw s LEU 46 CO -0.02 0.29 1.74 0.50 0.23 0.00 0.00 176.35 179.09 2djw h LYS 47 N 5.73 0.99 -4.07 1.70 1.63 -1.95 0.75 116.57 121.34 2djw h LYS 47 Ca -0.39 -0.19 -0.27 0.00 -0.85 0.00 0.00 60.65 58.95 2djw h LYS 47 Cb 1.15 -0.16 -0.07 0.00 -0.60 0.00 0.00 32.23 32.55 2djw h LYS 47 CO 0.48 0.84 -0.16 0.16 -3.45 0.00 0.00 179.45 177.32 2djw s ASP 48 N -6.20 0.93 0.24 4.20 1.47 -1.26 -4.67 116.67 111.38 2djw s ASP 48 Ca -0.13 -1.49 -0.04 0.00 1.18 0.00 0.00 52.55 52.07 2djw s ASP 48 Cb 0.14 0.68 0.27 0.00 -0.34 0.00 0.00 42.92 43.67 2djw s ASP 48 CO 0.81 -1.34 1.76 0.58 0.68 0.00 0.00 175.17 177.67 2djw h VAL 49 N 2.09 1.25 0.00 2.11 2.07 -1.99 -3.03 116.25 118.75 2djw h VAL 49 Ca -0.28 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 2djw h VAL 49 Cb 1.24 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2djw h VAL 49 CO 0.39 0.35 -0.10 -0.33 0.02 0.00 0.00 177.57 177.89 2djw h GLU 50 N 0.89 0.00 0.00 1.57 3.07 -2.00 -0.50 114.58 117.61 2djw h GLU 50 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 2djw h GLU 50 Cb 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2djw h GLU 50 CO 0.01 0.10 0.00 -1.91 -1.40 0.00 0.00 179.01 175.81 2djw n GLU 51 N -3.90 0.10 0.13 2.33 2.13 -1.14 -1.95 120.64 118.33 2djw n GLU 51 Ca -0.02 0.46 0.04 0.00 0.66 0.00 0.00 57.16 58.31 2djw n GLU 51 Cb 0.20 -1.74 0.47 0.00 0.27 0.00 0.00 31.44 30.64 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 0.23 -0.38 4.31 3.38 -1.26 -2.52 115.31 119.06 2djw h LEU 52 Ca 0.00 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2djw h LEU 52 Cb 0.16 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2djw h LEU 52 CO 0.00 0.26 0.23 -0.78 0.09 0.00 0.00 178.44 178.24 2djw h ASP 53 N 0.25 0.37 -0.89 -0.43 3.58 -1.60 0.22 116.42 117.91 2djw h ASP 53 Ca 0.06 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.53 2djw h ASP 53 Cb 0.15 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.07 2djw h ASP 53 CO 0.00 0.27 0.59 0.44 -2.88 0.00 0.00 179.24 177.65 2djw h ASP 54 N 0.46 1.00 0.15 2.28 3.32 -1.64 0.18 116.42 122.17 2djw h ASP 54 Ca 0.15 -0.02 -0.32 0.00 0.02 0.00 0.00 57.03 56.86 2djw h ASP 54 Cb 0.00 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.31 2djw h ASP 54 CO -0.07 0.71 -1.63 1.62 -1.72 0.00 0.00 179.24 178.15 2djw h VAL 55 N 1.17 0.95 0.00 -1.35 3.04 -1.22 -1.70 116.25 117.13 2djw h VAL 55 Ca 0.33 -2.45 0.00 0.00 -1.01 0.00 0.00 66.70 63.58 2djw h VAL 55 Cb -0.09 2.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 2djw h VAL 55 CO -0.08 0.80 -0.51 0.52 -1.01 0.00 0.00 177.57 177.29 2djw n VAL 56 N -3.73 1.22 -0.08 1.51 0.31 0.74 -0.27 118.33 118.03 2djw n VAL 56 Ca -0.26 0.25 -0.13 0.00 -0.01 0.00 0.00 64.34 64.19 2djw n VAL 56 Cb 1.00 -2.25 -0.05 0.00 -0.91 0.00 0.00 33.84 31.63 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 -0.85 1.31 0.00 2.52 2.02 -1.53 0.49 112.91 116.87 2djw h THR 57 Ca 0.00 -1.40 -0.30 0.00 0.77 0.00 0.00 66.41 65.48 2djw h THR 57 Cb 0.51 1.66 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 2djw h THR 57 CO 0.00 0.44 -1.81 0.00 0.37 0.00 0.00 175.52 174.52 2djw n GLN 58 N -4.35 0.64 -0.11 6.66 1.13 0.00 -3.71 117.38 117.65 2djw n GLN 58 Ca -0.04 0.25 -0.19 0.00 -1.94 0.00 0.00 57.00 55.07 2djw n GLN 58 Cb 0.44 -1.75 -0.08 0.00 0.11 0.00 0.00 30.24 28.95 2djw n GLN 58 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2djw n GLY 59 N 1.58 -0.74 0.11 1.08 0.00 -0.64 -4.26 105.19 102.32 2djw n GLY 59 Ca -0.19 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 2djw n GLY 59 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2djw n ILE 60 N -4.43 1.56 0.48 -0.61 5.41 0.62 -4.37 119.36 118.03 2djw n ILE 60 Ca -0.31 -0.11 0.12 0.00 1.00 0.00 0.00 62.75 63.45 2djw n ILE 60 Cb 0.64 -2.00 0.46 0.00 -0.71 0.00 0.00 39.64 38.03 2djw n ILE 60 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2djw n LEU 61 N -4.33 0.62 0.17 1.39 4.77 0.17 -1.06 117.00 118.72 2djw n LEU 61 Ca -0.34 0.62 0.13 0.00 -0.03 0.00 0.00 56.01 56.39 2djw n LEU 61 Cb 0.73 -0.51 0.33 0.00 -2.33 0.00 0.00 43.42 41.65 2djw n LEU 61 CO 0.20 -0.42 0.86 0.77 -1.33 0.00 0.00 177.39 177.47 2djw h SER 62 N 0.00 0.00 -4.13 -1.43 4.64 -1.74 -3.47 113.55 107.43 2djw h SER 62 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 2djw h SER 62 Cb 0.45 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.56 2djw h SER 62 CO 0.00 0.00 0.37 -0.76 -0.87 0.00 0.00 176.83 175.57 2djw s LEU 63 N -5.40 3.74 -0.04 5.97 1.43 -0.23 -5.00 118.68 119.16 2djw s LEU 63 Ca 0.08 1.75 -0.30 0.00 -1.03 0.00 0.00 54.13 54.63 2djw s LEU 63 Cb 0.09 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.73 2djw s LEU 63 CO 0.61 -0.70 1.23 -0.70 0.23 0.00 0.00 176.35 177.02 2djw s GLU 64 N -3.62 4.35 0.00 1.70 2.56 -1.26 -3.90 118.70 118.53 2djw s GLU 64 Ca 0.63 1.72 0.00 0.00 0.00 0.00 0.00 54.97 57.32 2djw s GLU 64 Cb -0.13 -3.54 0.00 0.00 2.00 0.00 0.00 34.13 32.46 2djw s GLU 64 CO 0.25 -0.45 0.00 0.41 -0.56 0.00 0.00 175.26 174.91 2djw n GLY 65 N 3.39 0.83 3.55 -1.50 0.00 -1.26 -4.87 105.19 105.33 2djw n GLY 65 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.02 4.71 -0.05 1.61 -7.23 -1.25 -0.33 120.40 115.84 2djw s VAL 66 Ca 0.00 0.49 -0.07 0.00 -1.81 0.00 0.00 61.98 60.59 2djw s VAL 66 Cb 0.00 -4.27 -0.04 0.00 0.56 0.00 0.00 36.38 32.64 2djw s VAL 66 CO 0.00 -0.62 0.33 -0.33 -0.31 0.00 0.00 175.10 174.17 2djw h GLU 67 N 8.83 -0.24 -4.97 4.82 5.08 -1.43 -3.48 114.58 123.19 2djw h GLU 67 Ca -0.25 0.02 -0.36 0.00 -1.00 0.00 0.00 59.36 57.77 2djw h GLU 67 Cb 1.09 0.05 -0.23 0.00 0.50 0.00 0.00 28.75 30.17 2djw h GLU 67 CO 0.93 -0.16 -0.76 1.03 -1.00 0.00 0.00 179.01 179.05 2djw s ARG 68 N -2.33 0.70 0.05 2.33 1.81 -1.06 -5.02 118.95 115.44 2djw s ARG 68 Ca -0.04 -0.78 0.08 0.00 -1.72 0.00 0.00 55.73 53.28 2djw s ARG 68 Cb 0.00 -0.62 -0.03 0.00 -0.45 0.00 0.00 34.95 33.85 2djw s ARG 68 CO 0.11 0.14 -0.23 -0.08 -0.68 0.00 0.00 175.30 174.56 2djw s THR 69 N -1.13 1.84 -0.14 0.02 -1.32 -1.26 -0.42 115.64 113.23 2djw s THR 69 Ca -0.04 -1.31 -0.04 0.00 -1.21 0.00 0.00 61.69 59.09 2djw s THR 69 Cb -0.09 -1.60 0.06 0.00 -1.51 0.00 0.00 72.50 69.36 2djw s THR 69 CO 0.01 0.23 0.12 -0.70 -2.21 0.00 0.00 174.62 172.08 2djw s GLU 70 N -1.29 0.06 -0.21 7.08 2.12 0.20 -4.96 118.70 121.70 2djw s GLU 70 Ca 0.09 0.15 -0.16 0.00 0.36 0.00 0.00 54.97 55.41 2djw s GLU 70 Cb -0.09 -1.26 -0.04 0.00 0.26 0.00 0.00 34.13 33.00 2djw s GLU 70 CO 0.02 -0.56 0.40 0.99 -0.54 0.00 0.00 175.26 175.57 2djw s THR 71 N 2.21 5.19 -0.49 -1.70 2.01 -1.26 -0.60 115.64 120.99 2djw s THR 71 Ca 0.04 0.70 -0.12 0.00 0.31 0.00 0.00 61.69 62.62 2djw s THR 71 Cb -0.15 -3.73 0.12 0.00 0.01 0.00 0.00 72.50 68.75 2djw s THR 71 CO -0.08 0.23 0.40 -0.76 -0.69 0.00 0.00 174.62 173.72 2djw s LEU 72 N 1.45 5.83 -0.15 4.42 1.02 0.17 -4.96 118.68 126.47 2djw s LEU 72 Ca 0.19 -1.81 -0.18 0.00 0.02 0.00 0.00 54.13 52.35 2djw s LEU 72 Cb -0.15 -2.09 -0.04 0.00 0.02 0.00 0.00 46.19 43.93 2djw s LEU 72 CO 0.08 -0.74 0.47 -0.22 0.02 0.00 0.00 176.35 175.96 2djw s LEU 73 N 1.47 4.23 -0.28 1.79 2.96 -1.26 -0.12 118.68 127.47 2djw s LEU 73 Ca 0.04 0.73 -0.25 0.00 -0.22 0.00 0.00 54.13 54.44 2djw s LEU 73 Cb -0.27 -2.66 0.00 0.00 0.50 0.00 0.00 46.19 43.76 2djw s LEU 73 CO 0.01 -0.05 0.86 0.00 -1.32 0.00 0.00 176.35 175.86 2djw s ALA 74 N 0.93 3.58 -0.06 5.97 0.00 0.26 -4.91 121.76 127.53 2djw s ALA 74 Ca 0.24 -0.23 0.17 0.00 0.00 0.00 0.00 51.96 52.14 2djw s ALA 74 Cb -0.15 -3.36 -0.25 0.00 0.00 0.00 0.00 23.12 19.36 2djw s ALA 74 CO 0.09 -1.13 0.29 1.97 0.00 0.00 0.00 175.76 176.99 2djw n PHE 75 N 6.23 0.00 -3.96 0.00 1.16 -1.26 -4.37 117.46 115.27 2djw n PHE 75 Ca 0.06 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.47 2djw n PHE 75 Cb 0.48 -0.52 -0.16 0.00 -1.61 0.00 0.00 39.48 37.67 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 -2.98 0.36 0.30 3.97 3.52 -1.26 -5.13 118.95 117.72 2djw s ARG 76 Ca -0.07 0.05 -0.10 0.00 -0.13 0.00 0.00 55.73 55.48 2djw s ARG 76 Cb 0.09 -0.51 -0.07 0.00 -1.56 0.00 0.00 34.95 32.90 2djw s ARG 76 CO 0.71 -0.13 0.64 0.00 -0.81 0.00 0.00 175.30 175.72 2djw s ALA 77 N 0.99 3.47 -0.33 6.12 0.00 -1.26 -5.09 121.76 125.66 2djw s ALA 77 Ca -0.10 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.64 2djw s ALA 77 Cb -0.14 -2.54 0.09 0.00 0.00 0.00 0.00 23.12 20.53 2djw s ALA 77 CO -0.01 0.31 0.04 0.71 0.00 0.00 0.00 175.76 176.81 2djw s TYR 78 N -2.02 3.61 0.55 0.00 2.02 -1.26 -5.13 117.35 115.13 2djw s TYR 78 Ca 0.49 -2.70 -0.09 0.00 -0.37 0.00 0.00 57.07 54.39 2djw s TYR 78 Cb -0.11 -2.72 0.13 0.00 -0.40 0.00 0.00 41.96 38.86 2djw s TYR 78 CO 0.24 -0.93 0.68 -0.35 -1.57 0.00 0.00 175.55 173.62 2djw n PRO 79 N 4.36 -1.04 0.00 -1.71 -0.04 -1.26 -5.34 135.00 129.98 2djw n PRO 79 Ca -0.02 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.38 2djw n PRO 79 Cb 0.42 -0.77 0.00 0.00 -0.04 0.00 0.00 33.50 33.11 2djw n PRO 79 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00