#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djw n ILE 2 N 0.00 0.11 -4.04 1.12 5.41 -0.90 -4.66 119.36 116.40 2djw n ILE 2 Ca 0.00 -0.02 -0.34 0.00 1.00 0.00 0.00 62.75 63.39 2djw n ILE 2 Cb 0.00 -1.09 -0.06 0.00 -0.71 0.00 0.00 39.64 37.77 2djw n ILE 2 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2djw s THR 3 N 1.45 5.00 0.02 1.39 2.01 -1.26 0.00 115.64 124.25 2djw s THR 3 Ca 0.87 -0.24 -0.03 0.00 0.31 0.00 0.00 61.69 62.60 2djw s THR 3 Cb -0.92 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 2djw s THR 3 CO 0.50 0.40 0.03 0.00 -0.69 0.00 0.00 174.62 174.86 2djw s ALA 4 N -1.18 0.03 -0.18 7.40 0.00 -0.54 -1.35 121.76 125.94 2djw s ALA 4 Ca 0.22 -0.56 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 2djw s ALA 4 Cb -0.12 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.18 2djw s ALA 4 CO 0.13 -0.23 -0.14 -0.06 0.00 0.00 0.00 175.76 175.46 2djw s PHE 5 N -1.98 2.82 -0.24 0.00 0.08 -0.35 -1.85 117.98 116.46 2djw s PHE 5 Ca -0.11 -1.22 -0.07 0.00 0.12 0.00 0.00 56.93 55.65 2djw s PHE 5 Cb -0.05 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.41 2djw s PHE 5 CO -0.02 -0.60 0.07 0.08 -0.10 0.00 0.00 175.22 174.65 2djw s VAL 6 N 1.13 4.40 -0.24 -0.44 1.01 0.09 -0.44 120.40 125.91 2djw s VAL 6 Ca 0.01 -0.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 2djw s VAL 6 Cb -0.14 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2djw s VAL 6 CO -0.05 0.35 0.36 -0.76 0.00 0.00 0.00 175.10 175.00 2djw s LEU 7 N 1.47 4.10 -0.13 3.92 1.02 0.11 -0.79 118.68 128.37 2djw s LEU 7 Ca 0.06 0.37 0.03 0.00 0.02 0.00 0.00 54.13 54.60 2djw s LEU 7 Cb -0.15 -2.43 0.01 0.00 0.02 0.00 0.00 46.19 43.64 2djw s LEU 7 CO 0.04 -0.11 -0.22 -0.63 0.02 0.00 0.00 176.35 175.44 2djw s ILE 8 N 1.64 2.07 -0.46 -0.59 1.01 0.37 -0.66 121.20 124.58 2djw s ILE 8 Ca 0.16 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 2djw s ILE 8 Cb -0.15 -1.82 0.12 0.00 0.01 0.00 0.00 42.46 40.62 2djw s ILE 8 CO 0.08 0.55 0.31 -0.60 0.00 0.00 0.00 174.94 175.29 2djw s ARG 9 N 0.75 2.37 0.69 2.79 3.52 0.39 -1.72 118.95 127.72 2djw s ARG 9 Ca -0.09 -1.78 -0.04 0.00 -0.13 0.00 0.00 55.73 53.69 2djw s ARG 9 Cb -0.16 -3.85 0.14 0.00 -1.56 0.00 0.00 34.95 29.53 2djw s ARG 9 CO -0.00 -1.17 0.94 -0.35 -0.81 0.00 0.00 175.30 173.91 2djw n PRO 10 N 4.84 -0.32 -2.92 5.12 -0.04 -1.26 -0.79 135.00 139.63 2djw n PRO 10 Ca -0.07 -2.18 -0.40 0.00 -0.04 0.00 0.00 63.50 60.81 2djw n PRO 10 Cb 0.41 -0.74 -0.05 0.00 -0.04 0.00 0.00 33.50 33.08 2djw n PRO 10 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2djw s ARG 11 N -4.94 4.58 0.21 0.54 3.52 -0.18 -4.74 118.95 117.94 2djw s ARG 11 Ca 0.59 1.19 -0.11 0.00 -0.13 0.00 0.00 55.73 57.27 2djw s ARG 11 Cb -0.03 -3.33 0.27 0.00 -1.56 0.00 0.00 34.95 30.30 2djw s ARG 11 CO 0.40 0.36 1.29 0.41 -0.81 0.00 0.00 175.30 176.95 2djw n GLY 12 N 2.10 -1.58 0.94 8.12 0.00 -1.26 0.13 105.19 113.64 2djw n GLY 12 Ca -0.02 0.91 0.01 0.00 0.00 0.00 0.00 46.02 46.92 2djw n GLY 12 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2djw n ASN 13 N -5.28 2.42 -0.00 1.61 6.94 -1.26 -3.04 115.26 116.66 2djw n ASN 13 Ca 0.10 -2.28 0.04 0.00 -0.02 0.00 0.00 54.58 52.43 2djw n ASN 13 Cb 0.37 -0.56 -0.05 0.00 -2.36 0.00 0.00 39.78 37.18 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 0.16 3.66 -0.00 -3.83 5.12 0.34 -4.88 116.66 117.23 2djw n ARG 14 Ca 0.09 -0.01 -0.11 0.00 -1.93 0.00 0.00 57.85 55.89 2djw n ARG 14 Cb 0.55 -0.96 -0.04 0.00 -1.16 0.00 0.00 32.46 30.85 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 0.00 0.24 -0.54 1.55 2.07 -1.54 0.09 116.25 118.13 2djw h VAL 15 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2djw h VAL 15 Cb 0.23 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 2djw h VAL 15 CO 0.00 0.00 0.27 -0.61 0.02 0.00 0.00 177.57 177.25 2djw h GLN 16 N -0.42 0.51 -0.14 1.57 4.15 -1.90 -1.79 115.11 117.10 2djw h GLN 16 Ca 0.09 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.35 2djw h GLN 16 Cb 0.57 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.15 2djw h GLN 16 CO -0.37 0.34 -0.45 0.00 -1.93 0.00 0.00 178.83 176.41 2djw h ALA 17 N 1.29 0.24 -0.14 3.38 0.00 -1.71 -1.70 119.26 120.62 2djw h ALA 17 Ca 0.24 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2djw h ALA 17 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2djw h ALA 17 CO -0.17 0.38 -0.07 -0.07 0.00 0.00 0.00 179.25 179.33 2djw h LEU 18 N 0.18 0.19 -0.15 0.00 3.38 -0.98 0.96 115.31 118.88 2djw h LEU 18 Ca -0.02 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2djw h LEU 18 Cb 1.08 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2djw h LEU 18 CO 0.10 0.29 -0.49 1.23 0.09 0.00 0.00 178.44 179.66 2djw h GLY 19 N 0.57 0.65 1.01 0.83 0.00 -1.13 -1.43 103.07 103.57 2djw h GLY 19 Ca 0.04 -0.85 -0.07 0.00 0.00 0.00 0.00 47.33 46.45 2djw h GLY 19 CO 0.01 0.76 0.05 0.83 0.00 0.00 0.00 176.54 178.20 2djw h GLU 20 N 0.24 0.89 -0.20 4.80 5.08 -1.10 -2.09 114.58 122.20 2djw h GLU 20 Ca -0.02 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2djw h GLU 20 Cb 1.11 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2djw h GLU 20 CO 0.10 0.89 0.09 0.00 -1.00 0.00 0.00 179.01 179.09 2djw h ALA 21 N 0.97 0.26 -0.17 3.43 0.00 -0.84 -3.22 119.26 119.70 2djw h ALA 21 Ca 0.16 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2djw h ALA 21 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2djw h ALA 21 CO 0.02 -0.16 -0.29 0.82 0.00 0.00 0.00 179.25 179.64 2djw h ILE 22 N 0.19 1.26 -0.05 0.00 2.04 -1.23 -2.36 117.51 117.35 2djw h ILE 22 Ca 0.07 -1.26 0.02 0.00 1.00 0.00 0.00 64.86 64.69 2djw h ILE 22 Cb 0.15 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2djw h ILE 22 CO -0.01 0.39 0.31 0.00 0.00 0.00 0.00 178.15 178.84 2djw h ALA 23 N 1.42 1.41 0.00 1.87 0.00 -1.38 -2.51 119.26 120.06 2djw h ALA 23 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2djw h ALA 23 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2djw h ALA 23 CO 0.05 -0.33 -0.83 0.39 0.00 0.00 0.00 179.25 178.53 2djw n GLU 24 N -3.04 0.24 -2.22 0.00 -0.58 -0.89 -4.88 120.64 109.28 2djw n GLU 24 Ca -0.01 0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.33 2djw n GLU 24 Cb 0.37 -1.61 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 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 -3.87 4.33 0.28 -4.62 1.43 -0.95 -4.91 118.68 110.38 2djw s LEU 25 Ca 0.06 2.15 0.02 0.00 -1.03 0.00 0.00 54.13 55.33 2djw s LEU 25 Cb 0.15 -3.57 0.61 0.00 0.03 0.00 0.00 46.19 43.41 2djw s LEU 25 CO 0.76 -0.70 1.80 -0.65 0.23 0.00 0.00 176.35 177.79 2djw h PRO 26 N 7.63 0.82 0.00 1.29 0.11 -1.90 0.46 132.00 140.41 2djw h PRO 26 Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2djw h PRO 26 Cb 1.19 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2djw h PRO 26 CO 0.89 0.54 0.00 1.04 -0.21 0.00 0.00 178.00 180.26 2djw n GLN 27 N -4.72 0.30 -2.82 1.05 3.00 -1.26 -4.76 117.38 108.18 2djw n GLN 27 Ca 0.20 0.01 -0.43 0.00 -0.01 0.00 0.00 57.00 56.78 2djw n GLN 27 Cb 0.44 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 29.14 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 -2.69 4.43 0.04 5.09 1.01 0.15 -0.68 120.40 127.76 2djw s VAL 28 Ca 0.24 0.62 -0.17 0.00 0.00 0.00 0.00 61.98 62.67 2djw s VAL 28 Cb 0.19 -4.47 -0.23 0.00 0.00 0.00 0.00 36.38 31.87 2djw s VAL 28 CO 0.46 -0.93 1.16 0.00 0.00 0.00 0.00 175.10 175.79 2djw h ALA 29 N 9.16 0.12 -2.70 5.51 0.00 -0.14 -3.46 119.26 127.75 2djw h ALA 29 Ca -0.25 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 53.91 2djw h ALA 29 Cb 1.07 0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.68 2djw h ALA 29 CO 1.05 0.52 -0.28 -1.21 0.00 0.00 0.00 179.25 179.33 2djw s GLU 30 N -3.31 0.54 -0.08 0.00 2.02 -0.73 -4.99 118.70 112.15 2djw s GLU 30 Ca -0.11 0.17 -0.07 0.00 0.02 0.00 0.00 54.97 54.98 2djw s GLU 30 Cb 0.05 0.25 0.02 0.00 0.10 0.00 0.00 34.13 34.56 2djw s GLU 30 CO 0.87 -0.12 0.20 0.54 0.02 0.00 0.00 175.26 176.78 2djw s VAL 31 N -0.54 -0.00 0.01 2.63 0.11 -1.26 0.95 120.40 122.30 2djw s VAL 31 Ca -0.07 0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 58.97 2djw s VAL 31 Cb -0.04 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.51 2djw s VAL 31 CO 0.02 0.01 0.05 -0.31 -3.33 0.00 0.00 175.10 171.54 2djw s TYR 32 N 0.23 0.16 -0.01 1.54 2.02 -0.57 -4.99 117.35 115.75 2djw s TYR 32 Ca -0.01 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.03 2djw s TYR 32 Cb -0.02 -0.13 -0.04 0.00 -0.40 0.00 0.00 41.96 41.37 2djw s TYR 32 CO -0.01 -0.24 1.12 -1.12 -1.57 0.00 0.00 175.55 173.73 2djw s SER 33 N -1.45 7.17 0.20 2.29 0.01 -1.26 -1.25 113.70 119.41 2djw s SER 33 Ca -0.15 1.81 0.09 0.00 1.31 0.00 0.00 55.95 59.01 2djw s SER 33 Cb -0.09 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 2djw s SER 33 CO 0.00 -0.45 -0.18 0.68 0.41 0.00 0.00 173.24 173.70 2djw s VAL 34 N 1.50 1.99 0.78 3.43 -7.23 -0.58 -4.97 120.40 115.32 2djw s VAL 34 Ca 0.55 -2.11 -0.11 0.00 -1.81 0.00 0.00 61.98 58.50 2djw s VAL 34 Cb -0.24 -2.02 0.06 0.00 0.56 0.00 0.00 36.38 34.74 2djw s VAL 34 CO 0.25 -0.39 1.09 0.42 -0.31 0.00 0.00 175.10 176.17 2djw s THR 35 N -2.35 3.19 0.00 5.32 -4.23 -1.26 -4.60 115.64 111.71 2djw s THR 35 Ca 0.21 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 2djw s THR 35 Cb -0.04 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.66 2djw s THR 35 CO 0.09 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 2djw n GLY 36 N -2.10 -1.02 0.01 3.99 0.00 -1.26 -4.70 105.19 100.11 2djw n GLY 36 Ca 0.07 -2.14 0.14 0.00 0.00 0.00 0.00 46.02 44.09 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 0.09 -4.54 1.61 -0.04 -1.26 -4.70 135.00 126.17 2djw n PRO 37 Ca 0.00 -0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.15 2djw n PRO 37 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 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 -2.92 2.44 -0.12 0.54 2.02 -1.26 -4.95 117.35 113.11 2djw s TYR 38 Ca 0.16 -0.32 0.20 0.00 -0.37 0.00 0.00 57.07 56.74 2djw s TYR 38 Cb 0.19 -1.36 -0.25 0.00 -0.40 0.00 0.00 41.96 40.14 2djw s TYR 38 CO 0.54 0.29 0.46 -0.25 -1.57 0.00 0.00 175.55 175.02 2djw n ASP 39 N 1.22 0.23 -4.03 2.29 10.43 -0.70 -4.65 116.55 121.33 2djw n ASP 39 Ca -0.17 0.10 -0.12 0.00 2.57 0.00 0.00 54.79 57.17 2djw n ASP 39 Cb 0.52 1.21 -0.11 0.00 1.84 0.00 0.00 41.12 44.58 2djw n ASP 39 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2djw s LEU 40 N -5.13 2.24 -0.02 0.64 1.43 -0.84 -1.52 118.68 115.48 2djw s LEU 40 Ca -0.07 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 2djw s LEU 40 Cb 0.10 -0.09 -0.01 0.00 0.03 0.00 0.00 46.19 46.22 2djw s LEU 40 CO 0.86 -0.22 -0.13 -0.69 0.23 0.00 0.00 176.35 176.40 2djw s VAL 41 N -1.34 1.03 -0.16 -1.59 1.01 -0.38 -0.48 120.40 118.50 2djw s VAL 41 Ca -0.11 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2djw s VAL 41 Cb -0.10 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.41 2djw s VAL 41 CO -0.00 0.30 -0.16 0.00 0.00 0.00 0.00 175.10 175.24 2djw s ALA 42 N -0.19 2.47 -0.28 5.51 0.00 0.03 -1.51 121.76 127.79 2djw s ALA 42 Ca 0.03 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 50.76 2djw s ALA 42 Cb -0.06 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 2djw s ALA 42 CO -0.00 -0.05 0.47 -1.17 0.00 0.00 0.00 175.76 175.01 2djw s LEU 43 N 0.85 4.11 -0.10 0.00 2.96 0.27 -0.73 118.68 126.03 2djw s LEU 43 Ca -0.05 0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 2djw s LEU 43 Cb -0.15 -2.58 0.01 0.00 0.50 0.00 0.00 46.19 43.97 2djw s LEU 43 CO -0.01 -0.30 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.88 2djw s VAL 44 N 2.26 1.51 -0.26 1.68 1.01 -0.77 0.60 120.40 126.44 2djw s VAL 44 Ca 0.19 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 2djw s VAL 44 Cb -0.16 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2djw s VAL 44 CO 0.10 0.44 0.13 -0.13 0.00 0.00 0.00 175.10 175.65 2djw s ARG 45 N 0.90 3.86 0.03 2.72 1.81 0.15 -1.47 118.95 126.95 2djw s ARG 45 Ca -0.08 -0.37 0.04 0.00 -1.72 0.00 0.00 55.73 53.60 2djw s ARG 45 Cb -0.15 -3.49 -0.04 0.00 -0.45 0.00 0.00 34.95 30.82 2djw s ARG 45 CO -0.00 -0.12 -0.08 -0.51 -0.68 0.00 0.00 175.30 173.91 2djw s LEU 46 N 1.51 3.12 0.25 2.53 1.43 0.10 -4.69 118.68 122.92 2djw s LEU 46 Ca 0.06 -0.22 0.24 0.00 -1.03 0.00 0.00 54.13 53.19 2djw s LEU 46 Cb -0.15 -1.82 0.44 0.00 0.03 0.00 0.00 46.19 44.68 2djw s LEU 46 CO 0.07 0.25 1.50 0.07 0.23 0.00 0.00 176.35 178.47 2djw h LYS 47 N 4.28 0.00 -2.79 1.70 5.09 -1.93 -2.38 116.57 120.54 2djw h LYS 47 Ca -0.48 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.22 2djw h LYS 47 Cb 1.17 0.00 -0.14 0.00 0.10 0.00 0.00 32.23 33.36 2djw h LYS 47 CO 0.53 0.00 0.16 0.34 -2.09 0.00 0.00 179.45 178.39 2djw s ASP 48 N -5.06 -0.55 0.47 7.07 2.15 -1.26 -4.79 116.67 114.71 2djw s ASP 48 Ca 0.07 0.15 0.30 0.00 0.43 0.00 0.00 52.55 53.50 2djw s ASP 48 Cb 0.10 0.56 1.16 0.00 -0.30 0.00 0.00 42.92 44.44 2djw s ASP 48 CO 0.68 -0.85 1.89 -0.37 -0.17 0.00 0.00 175.17 176.34 2djw h VAL 49 N 2.34 0.00 0.00 1.11 -1.51 -1.98 -2.86 116.25 113.35 2djw h VAL 49 Ca -0.32 -0.52 -0.02 0.00 -1.23 0.00 0.00 66.70 64.60 2djw h VAL 49 Cb 1.26 1.47 -0.00 0.00 -2.13 0.00 0.00 31.29 31.89 2djw h VAL 49 CO 0.39 0.00 -0.11 1.05 -1.23 0.00 0.00 177.57 177.67 2djw h GLU 50 N 0.00 0.00 0.00 5.19 -0.00 -2.02 -2.88 114.58 114.87 2djw h GLU 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2djw h GLU 50 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.30 2djw h GLU 50 CO 0.00 0.11 0.00 0.39 -0.00 0.00 0.00 179.01 179.51 2djw n GLU 51 N -3.71 0.01 0.26 1.06 1.02 -1.08 -0.61 120.64 117.59 2djw n GLU 51 Ca -0.02 0.40 0.13 0.00 -0.02 0.00 0.00 57.16 57.65 2djw n GLU 51 Cb 0.22 -1.54 0.67 0.00 -0.02 0.00 0.00 31.44 30.78 2djw n GLU 51 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2djw h LEU 52 N 0.00 0.00 -0.26 -4.62 3.38 -1.74 -0.93 115.31 111.14 2djw h LEU 52 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2djw h LEU 52 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2djw h LEU 52 CO 0.00 0.14 0.16 -0.78 0.09 0.00 0.00 178.44 178.05 2djw h ASP 53 N 0.00 0.31 -0.02 -0.43 3.58 -1.10 0.77 116.42 119.53 2djw h ASP 53 Ca -0.00 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 2djw h ASP 53 Cb 0.45 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2djw h ASP 53 CO 0.02 0.26 -0.04 0.44 -2.88 0.00 0.00 179.24 177.04 2djw h ASP 54 N 0.33 0.06 0.49 2.28 5.19 -1.58 -2.31 116.42 120.89 2djw h ASP 54 Ca 0.09 -0.58 -0.30 0.00 -0.62 0.00 0.00 57.03 55.63 2djw h ASP 54 Cb 0.01 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.50 2djw h ASP 54 CO -0.02 0.63 -1.42 1.62 -3.12 0.00 0.00 179.24 176.93 2djw h VAL 55 N -0.50 1.29 0.00 -1.35 3.04 -1.25 0.13 116.25 117.61 2djw h VAL 55 Ca 0.00 -2.88 0.00 0.00 -1.01 0.00 0.00 66.70 62.81 2djw h VAL 55 Cb 0.62 2.86 0.00 0.00 -2.01 0.00 0.00 31.29 32.76 2djw h VAL 55 CO 0.01 0.85 -0.62 0.52 -1.01 0.00 0.00 177.57 177.32 2djw n VAL 56 N -3.51 1.02 -0.30 1.51 0.31 0.20 -2.08 118.33 115.49 2djw n VAL 56 Ca -0.14 0.26 0.08 0.00 -0.01 0.00 0.00 64.34 64.54 2djw n VAL 56 Cb 1.04 -2.09 0.24 0.00 -0.91 0.00 0.00 33.84 32.12 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 -0.69 0.70 0.00 2.52 2.02 -1.36 0.18 112.91 116.28 2djw h THR 57 Ca 0.00 -0.21 -0.27 0.00 0.77 0.00 0.00 66.41 66.70 2djw h THR 57 Cb 0.62 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 2djw h THR 57 CO 0.00 0.11 -1.85 0.00 0.37 0.00 0.00 175.52 174.15 2djw n GLN 58 N -4.88 0.51 -0.27 6.66 6.02 -0.87 -3.68 117.38 120.86 2djw n GLN 58 Ca 0.18 0.22 -0.04 0.00 -0.01 0.00 0.00 57.00 57.35 2djw n GLN 58 Cb 0.47 -1.36 0.07 0.00 1.02 0.00 0.00 30.24 30.44 2djw n GLN 58 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2djw h GLY 59 N -0.89 1.07 0.00 1.08 0.00 -0.64 -3.28 103.07 100.41 2djw h GLY 59 Ca -0.41 -0.38 -0.27 0.00 0.00 0.00 0.00 47.33 46.27 2djw h GLY 59 CO -0.25 0.36 -1.96 1.39 0.00 0.00 0.00 176.54 176.08 2djw n ILE 60 N -4.59 0.95 0.77 2.60 5.41 -0.72 -4.45 119.36 119.33 2djw n ILE 60 Ca 0.08 -0.30 0.10 0.00 1.00 0.00 0.00 62.75 63.63 2djw n ILE 60 Cb 0.04 -1.42 0.46 0.00 -0.71 0.00 0.00 39.64 38.02 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 -3.39 0.00 -1.10 1.39 4.77 0.56 -2.02 117.00 117.21 2djw n LEU 61 Ca -0.32 0.47 0.12 0.00 -0.03 0.00 0.00 56.01 56.25 2djw n LEU 61 Cb 0.78 -0.47 0.25 0.00 -2.33 0.00 0.00 43.42 41.64 2djw n LEU 61 CO 0.09 -0.13 0.72 -1.54 -1.33 0.00 0.00 177.39 175.20 2djw n SER 62 N -1.47 3.29 -4.82 -1.43 3.41 -1.24 -4.91 113.62 106.45 2djw n SER 62 Ca 0.06 -1.97 -0.38 0.00 -0.26 0.00 0.00 58.87 56.33 2djw n SER 62 Cb 0.24 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 63.87 2djw n SER 62 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2djw s LEU 63 N -1.43 4.47 -0.08 1.04 1.43 -0.86 -5.02 118.68 118.24 2djw s LEU 63 Ca 0.39 1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 54.39 2djw s LEU 63 Cb 0.22 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 2djw s LEU 63 CO 0.31 0.23 1.29 -0.70 0.23 0.00 0.00 176.35 177.70 2djw s GLU 64 N -1.35 4.29 0.00 1.70 2.56 -1.26 -3.29 118.70 121.34 2djw s GLU 64 Ca 0.31 1.76 0.00 0.00 0.00 0.00 0.00 54.97 57.04 2djw s GLU 64 Cb -0.18 -3.65 0.00 0.00 2.00 0.00 0.00 34.13 32.30 2djw s GLU 64 CO 0.19 -0.58 0.00 0.41 -0.56 0.00 0.00 175.26 174.72 2djw n GLY 65 N 3.54 0.91 3.65 -1.50 0.00 -1.26 -4.98 105.19 105.55 2djw n GLY 65 Ca 0.13 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 5.32 -0.19 1.61 -7.23 -1.21 -1.01 120.40 115.69 2djw s VAL 66 Ca 0.00 0.29 0.06 0.00 -1.81 0.00 0.00 61.98 60.51 2djw s VAL 66 Cb 0.00 -3.55 -0.21 0.00 0.56 0.00 0.00 36.38 33.17 2djw s VAL 66 CO 0.00 0.31 0.06 -0.62 -0.31 0.00 0.00 175.10 174.53 2djw n GLU 67 N 4.47 0.68 -3.67 4.82 1.02 0.03 -5.00 120.64 122.99 2djw n GLU 67 Ca -0.13 0.15 -0.15 0.00 -0.02 0.00 0.00 57.16 57.01 2djw n GLU 67 Cb 0.52 -1.58 -0.08 0.00 -0.02 0.00 0.00 31.44 30.27 2djw n GLU 67 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2djw s ARG 68 N -2.53 0.74 0.02 3.49 1.81 -1.09 -5.01 118.95 116.37 2djw s ARG 68 Ca -0.23 0.42 0.04 0.00 -1.72 0.00 0.00 55.73 54.24 2djw s ARG 68 Cb 0.08 0.35 -0.02 0.00 -0.45 0.00 0.00 34.95 34.91 2djw s ARG 68 CO 0.72 -0.16 -0.13 -0.08 -0.68 0.00 0.00 175.30 174.97 2djw s THR 69 N -0.43 0.99 -0.10 0.02 -1.32 -1.26 -0.47 115.64 113.07 2djw s THR 69 Ca -0.06 -0.76 -0.04 0.00 -1.21 0.00 0.00 61.69 59.63 2djw s THR 69 Cb -0.03 -0.87 0.05 0.00 -1.51 0.00 0.00 72.50 70.14 2djw s THR 69 CO 0.04 0.11 0.20 -0.70 -2.21 0.00 0.00 174.62 172.06 2djw s GLU 70 N -0.74 0.10 -0.23 7.08 2.12 0.16 -4.97 118.70 122.23 2djw s GLU 70 Ca 0.02 0.59 -0.08 0.00 0.36 0.00 0.00 54.97 55.87 2djw s GLU 70 Cb -0.06 -0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.13 2djw s GLU 70 CO 0.00 -0.26 0.08 0.99 -0.54 0.00 0.00 175.26 175.53 2djw s THR 71 N 2.04 4.55 -0.45 -1.70 2.01 -1.26 0.07 115.64 120.90 2djw s THR 71 Ca -0.01 -0.10 -0.12 0.00 0.31 0.00 0.00 61.69 61.77 2djw s THR 71 Cb -0.12 -3.10 0.08 0.00 0.01 0.00 0.00 72.50 69.37 2djw s THR 71 CO -0.07 0.38 0.33 -0.76 -0.69 0.00 0.00 174.62 173.81 2djw s LEU 72 N 1.16 5.44 -0.33 4.42 1.02 0.42 -4.98 118.68 125.84 2djw s LEU 72 Ca 0.05 -1.48 -0.21 0.00 0.02 0.00 0.00 54.13 52.50 2djw s LEU 72 Cb -0.14 -2.08 -0.00 0.00 0.02 0.00 0.00 46.19 43.99 2djw s LEU 72 CO 0.04 -0.61 0.67 -0.22 0.02 0.00 0.00 176.35 176.24 2djw s LEU 73 N 1.51 4.17 -0.01 1.79 2.96 -1.26 -1.21 118.68 126.64 2djw s LEU 73 Ca 0.04 0.36 -0.30 0.00 -0.22 0.00 0.00 54.13 54.01 2djw s LEU 73 Cb -0.24 -2.86 -0.06 0.00 0.50 0.00 0.00 46.19 43.53 2djw s LEU 73 CO 0.04 -0.56 1.49 0.00 -1.32 0.00 0.00 176.35 176.00 2djw s ALA 74 N 2.73 3.61 -0.16 5.97 0.00 -0.46 -4.92 121.76 128.54 2djw s ALA 74 Ca 0.26 0.93 0.06 0.00 0.00 0.00 0.00 51.96 53.21 2djw s ALA 74 Cb -0.14 -3.64 -0.07 0.00 0.00 0.00 0.00 23.12 19.26 2djw s ALA 74 CO 0.13 -1.05 0.19 1.97 0.00 0.00 0.00 175.76 177.01 2djw n PHE 75 N 5.79 0.00 -3.79 0.00 1.16 -1.26 -4.48 117.46 114.89 2djw n PHE 75 Ca 0.14 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.57 2djw n PHE 75 Cb 0.43 -0.06 -0.16 0.00 -1.61 0.00 0.00 39.48 38.08 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 -1.90 -0.01 0.18 3.97 3.52 -1.26 -5.15 118.95 118.29 2djw s ARG 76 Ca 0.00 0.17 -0.18 0.00 -0.13 0.00 0.00 55.73 55.60 2djw s ARG 76 Cb 0.04 -0.26 -0.08 0.00 -1.56 0.00 0.00 34.95 33.10 2djw s ARG 76 CO 0.24 -0.16 0.64 0.00 -0.81 0.00 0.00 175.30 175.21 2djw s ALA 77 N 1.04 3.50 -0.53 6.12 0.00 -1.26 -5.06 121.76 125.56 2djw s ALA 77 Ca -0.09 0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.94 2djw s ALA 77 Cb -0.13 -2.69 0.13 0.00 0.00 0.00 0.00 23.12 20.44 2djw s ALA 77 CO -0.03 0.38 0.28 0.71 0.00 0.00 0.00 175.76 177.11 2djw s TYR 78 N -1.44 3.26 0.66 0.00 2.02 -1.26 -5.11 117.35 115.48 2djw s TYR 78 Ca 0.39 -3.08 -0.11 0.00 -0.37 0.00 0.00 57.07 53.91 2djw s TYR 78 Cb -0.16 -2.90 -0.02 0.00 -0.40 0.00 0.00 41.96 38.48 2djw s TYR 78 CO 0.20 -0.77 1.05 -1.25 -1.57 0.00 0.00 175.55 173.20 2djw s PRO 79 N -0.17 3.25 0.00 -1.71 0.04 -1.26 -5.33 135.00 129.82 2djw s PRO 79 Ca 0.17 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.04 2djw s PRO 79 Cb -0.24 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2djw s PRO 79 CO -0.01 -0.84 0.00 0.54 0.04 0.00 0.00 177.00 176.73