#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dtj s LYS 5 N 0.00 1.04 0.28 2.12 0.00 -1.26 -4.26 119.74 117.66 1dtj s LYS 5 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 55.97 55.18 1dtj s LYS 5 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 37.83 36.71 1dtj s LYS 5 CO 0.00 0.27 0.20 -1.83 0.00 0.00 0.00 175.35 173.99 1dtj s GLU 6 N -1.22 1.54 -0.06 1.78 -1.05 0.11 -4.96 118.70 114.84 1dtj s GLU 6 Ca 0.03 -1.87 0.03 0.00 -0.15 0.00 0.00 54.97 53.00 1dtj s GLU 6 Cb -0.08 0.20 0.01 0.00 -0.44 0.00 0.00 34.13 33.82 1dtj s GLU 6 CO 0.02 -0.52 -0.13 -1.17 0.95 0.00 0.00 175.26 174.40 1dtj s LEU 7 N -3.31 1.74 -0.04 1.83 0.20 -1.26 -2.30 118.68 115.55 1dtj s LEU 7 Ca 0.39 -0.31 0.06 0.00 0.69 0.00 0.00 54.13 54.97 1dtj s LEU 7 Cb 0.04 -0.85 -0.01 0.00 -0.43 0.00 0.00 46.19 44.94 1dtj s LEU 7 CO 0.20 0.07 -0.24 -0.69 -0.29 0.00 0.00 176.35 175.40 1dtj s VAL 8 N 0.45 1.92 -0.03 1.68 1.01 0.39 -4.98 120.40 120.84 1dtj s VAL 8 Ca -0.11 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 60.92 1dtj s VAL 8 Cb -0.14 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1dtj s VAL 8 CO 0.03 0.54 -0.22 -1.61 0.00 0.00 0.00 175.10 173.84 1dtj s GLU 9 N -0.30 1.91 0.03 2.72 2.02 -1.26 -0.46 118.70 123.35 1dtj s GLU 9 Ca 0.02 -0.79 -0.05 0.00 0.02 0.00 0.00 54.97 54.17 1dtj s GLU 9 Cb -0.12 -1.79 -0.01 0.00 0.10 0.00 0.00 34.13 32.32 1dtj s GLU 9 CO 0.02 0.44 0.08 0.00 0.02 0.00 0.00 175.26 175.81 1dtj s MET 10 N -0.41 0.53 -0.21 1.61 0.23 -0.59 -4.96 119.30 115.50 1dtj s MET 10 Ca 0.06 -0.70 -0.08 0.00 -1.03 0.00 0.00 55.69 53.93 1dtj s MET 10 Cb -0.10 0.21 -0.04 0.00 -1.53 0.00 0.00 34.83 33.37 1dtj s MET 10 CO 0.00 -0.13 0.09 0.00 -2.03 0.00 0.00 175.02 172.96 1dtj s ALA 11 N -2.32 3.43 -0.09 3.16 0.00 -1.26 0.16 121.76 124.83 1dtj s ALA 11 Ca -0.07 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.10 1dtj s ALA 11 Cb -0.03 -2.05 -0.00 0.00 0.00 0.00 0.00 23.12 21.04 1dtj s ALA 11 CO -0.03 -0.01 -0.24 0.08 0.00 0.00 0.00 175.76 175.56 1dtj s VAL 12 N 0.71 2.05 0.13 0.00 1.01 -0.40 -4.95 120.40 118.96 1dtj s VAL 12 Ca 0.05 -1.03 -0.35 0.00 0.00 0.00 0.00 61.98 60.65 1dtj s VAL 12 Cb -0.13 -1.76 -0.15 0.00 0.00 0.00 0.00 36.38 34.34 1dtj s VAL 12 CO 0.02 0.56 1.49 -0.81 0.00 0.00 0.00 175.10 176.35 1dtj n PRO 13 N 3.37 1.76 -0.23 2.72 -0.04 -1.26 0.00 135.00 141.33 1dtj n PRO 13 Ca -0.19 0.64 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 1dtj n PRO 13 Cb 0.53 -2.36 0.43 0.00 -0.04 0.00 0.00 33.50 32.06 1dtj n PRO 13 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1dtj h GLU 14 N 5.40 0.56 0.00 0.54 4.57 0.33 -0.60 114.58 125.38 1dtj h GLU 14 Ca -0.46 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1dtj h GLU 14 Cb 1.29 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1dtj h GLU 14 CO 0.85 0.37 0.00 0.27 -1.18 0.00 0.00 179.01 179.32 1dtj n ASN 15 N -4.53 0.00 0.00 1.04 0.23 -1.26 -2.88 115.26 107.87 1dtj n ASN 15 Ca 0.16 -1.66 0.00 0.00 -0.53 0.00 0.00 54.58 52.55 1dtj n ASN 15 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 1dtj n ASN 15 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1dtj n LEU 16 N -0.60 0.37 -0.10 -4.53 7.99 -0.26 -4.78 117.00 115.09 1dtj n LEU 16 Ca 0.04 -0.61 0.18 0.00 -0.01 0.00 0.00 56.01 55.61 1dtj n LEU 16 Cb 0.02 0.00 0.59 0.00 -0.11 0.00 0.00 43.42 43.92 1dtj n LEU 16 CO 0.03 0.09 1.20 0.58 -1.51 0.00 0.00 177.39 177.78 1dtj h VAL 17 N 0.06 0.76 -0.01 4.08 2.07 -1.34 -0.88 116.25 120.99 1dtj h VAL 17 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1dtj h VAL 17 Cb 0.03 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1dtj h VAL 17 CO 0.00 0.04 0.01 1.23 0.02 0.00 0.00 177.57 178.87 1dtj h GLY 18 N 0.22 0.00 2.00 2.17 0.00 -1.86 -1.28 103.07 104.32 1dtj h GLY 18 Ca 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.59 1dtj h GLY 18 CO -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 176.54 176.19 1dtj h ALA 19 N 1.99 1.26 0.14 3.60 0.00 -1.53 0.19 119.26 124.91 1dtj h ALA 19 Ca 0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 54.91 54.31 1dtj h ALA 19 Cb 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1dtj h ALA 19 CO -0.00 0.36 -1.80 0.82 0.00 0.00 0.00 179.25 178.63 1dtj h ILE 20 N 0.00 0.86 -0.05 0.00 2.04 -1.38 -3.38 117.51 115.59 1dtj h ILE 20 Ca -0.00 -2.51 -0.08 0.00 1.00 0.00 0.00 64.86 63.26 1dtj h ILE 20 Cb 0.62 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1dtj h ILE 20 CO 0.04 0.84 -0.29 -0.07 0.00 0.00 0.00 178.15 178.67 1dtj h LEU 21 N 0.08 0.35 0.00 1.44 4.07 -1.20 -2.73 115.31 117.33 1dtj h LEU 21 Ca -0.35 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 56.95 1dtj h LEU 21 Cb 2.06 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 43.70 1dtj h LEU 21 CO 0.14 0.96 0.00 0.61 -1.08 0.00 0.00 178.44 179.07 1dtj n GLY 22 N 0.74 -2.24 3.64 0.83 0.00 0.64 -0.62 105.19 108.18 1dtj n GLY 22 Ca -0.09 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 1dtj n GLY 22 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1dtj n LYS 23 N -0.70 2.52 -1.26 1.61 2.85 -1.26 -2.07 118.16 119.85 1dtj n LYS 23 Ca 0.00 0.87 -0.11 0.00 -1.05 0.00 0.00 58.31 58.02 1dtj n LYS 23 Cb 0.00 -3.05 -0.05 0.00 -0.65 0.00 0.00 35.03 31.28 1dtj n LYS 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1dtj n GLY 24 N 4.96 1.02 0.88 2.58 0.00 -1.26 -1.76 105.19 111.60 1dtj n GLY 24 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1dtj n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dtj n GLY 25 N 0.18 0.78 0.36 -0.02 0.00 -0.88 -4.99 105.19 100.62 1dtj n GLY 25 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.94 1dtj n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dtj h LYS 26 N 3.11 1.00 -0.31 1.61 1.57 -1.15 -2.94 116.57 119.45 1dtj h LYS 26 Ca 0.00 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1dtj h LYS 26 Cb 0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1dtj h LYS 26 CO 0.00 0.66 -0.07 1.15 -0.57 0.00 0.00 179.45 180.62 1dtj h THR 27 N 1.03 1.28 -0.80 -0.16 2.02 -1.09 -0.62 112.91 114.56 1dtj h THR 27 Ca 0.34 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 1dtj h THR 27 Cb 0.07 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1dtj h THR 27 CO -0.11 0.36 0.46 0.25 0.37 0.00 0.00 175.52 176.84 1dtj h LEU 28 N 0.37 0.98 0.16 2.58 6.46 -1.15 -0.20 115.31 124.52 1dtj h LEU 28 Ca 0.08 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1dtj h LEU 28 Cb 0.56 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1dtj h LEU 28 CO 0.03 0.78 -0.08 0.58 -0.62 0.00 0.00 178.44 179.13 1dtj h VAL 29 N 1.12 0.92 -0.96 1.05 2.07 -1.34 -2.14 116.25 116.96 1dtj h VAL 29 Ca 0.29 -0.35 0.16 0.00 0.82 0.00 0.00 66.70 67.62 1dtj h VAL 29 Cb -0.00 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 1dtj h VAL 29 CO -0.05 0.08 0.61 -0.08 0.02 0.00 0.00 177.57 178.15 1dtj h GLU 30 N -0.38 0.75 -0.30 1.57 4.81 -0.70 -0.99 114.58 119.33 1dtj h GLU 30 Ca -0.02 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.00 1dtj h GLU 30 Cb 0.30 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1dtj h GLU 30 CO 0.04 0.49 -0.45 1.88 -0.73 0.00 0.00 179.01 180.24 1dtj h TYR 31 N 0.77 1.03 -0.38 0.92 0.99 -0.78 -1.40 116.97 118.12 1dtj h TYR 31 Ca 0.50 -0.34 -0.05 0.00 2.00 0.00 0.00 58.73 60.83 1dtj h TYR 31 Cb 0.75 -0.20 -0.01 0.00 1.00 0.00 0.00 36.73 38.27 1dtj h TYR 31 CO -0.00 1.15 0.03 1.96 -0.00 0.00 0.00 178.16 181.30 1dtj h GLN 32 N 0.61 0.65 -0.06 4.88 4.20 -1.04 -1.77 115.11 122.58 1dtj h GLN 32 Ca 0.03 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1dtj h GLN 32 Cb 1.05 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 1dtj h GLN 32 CO 0.10 0.73 0.04 1.49 -0.67 0.00 0.00 178.83 180.52 1dtj h GLU 33 N 0.48 0.08 -0.08 1.46 4.81 -1.11 0.24 114.58 120.47 1dtj h GLU 33 Ca 0.11 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1dtj h GLU 33 Cb 0.41 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1dtj h GLU 33 CO 0.01 0.06 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.22 1dtj h LEU 34 N 0.08 -0.19 0.00 1.64 3.38 -1.22 -3.22 115.31 115.77 1dtj h LEU 34 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1dtj h LEU 34 Cb -0.00 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1dtj h LEU 34 CO -0.00 -0.09 -0.49 0.71 0.09 0.00 0.00 178.44 178.66 1dtj h THR 35 N -0.07 0.00 -0.02 0.22 1.35 -1.23 -3.47 112.91 109.69 1dtj h THR 35 Ca 0.05 -0.97 -0.01 0.00 -0.55 0.00 0.00 66.41 64.94 1dtj h THR 35 Cb 0.15 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1dtj h THR 35 CO -0.12 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 175.75 1dtj n GLY 36 N 1.15 0.45 3.75 5.82 0.00 0.84 -4.55 105.19 112.65 1dtj n GLY 36 Ca 0.02 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1dtj n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dtj s ALA 37 N -1.88 3.49 -0.03 4.61 0.00 -1.18 -4.83 121.76 121.94 1dtj s ALA 37 Ca 0.00 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 50.74 1dtj s ALA 37 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 1dtj s ALA 37 CO 0.00 0.72 0.66 0.50 0.00 0.00 0.00 175.76 177.64 1dtj s ARG 38 N -2.13 4.41 -0.13 0.00 3.52 -0.31 -4.29 118.95 120.02 1dtj s ARG 38 Ca 0.26 0.84 0.02 0.00 -0.13 0.00 0.00 55.73 56.72 1dtj s ARG 38 Cb -0.12 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1dtj s ARG 38 CO 0.18 0.20 -0.18 0.42 -0.81 0.00 0.00 175.30 175.11 1dtj s ILE 39 N 0.35 1.72 -0.08 4.11 1.01 -1.26 -0.68 121.20 126.37 1dtj s ILE 39 Ca 0.35 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.26 1dtj s ILE 39 Cb -0.18 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.74 1dtj s ILE 39 CO 0.18 0.48 -0.17 -1.10 0.00 0.00 0.00 174.94 174.33 1dtj s GLN 40 N 1.00 2.31 -0.08 2.79 -0.21 0.84 -4.99 119.66 121.32 1dtj s GLN 40 Ca -0.05 -0.62 0.05 0.00 0.02 0.00 0.00 55.36 54.76 1dtj s GLN 40 Cb -0.15 -1.82 -0.00 0.00 1.00 0.00 0.00 33.01 32.03 1dtj s GLN 40 CO -0.03 0.08 -0.24 0.42 -2.12 0.00 0.00 175.29 173.39 1dtj s ILE 41 N 0.57 2.09 0.00 1.08 -1.09 -1.26 -0.97 121.20 121.61 1dtj s ILE 41 Ca -0.16 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.23 1dtj s ILE 41 Cb -0.17 -1.78 0.00 0.00 -1.58 0.00 0.00 42.46 38.94 1dtj s ILE 41 CO 0.05 0.56 0.00 -1.54 -1.23 0.00 0.00 174.94 172.79 1dtj n SER 42 N 3.27 0.00 -0.54 3.58 3.41 -1.26 -5.07 113.62 117.01 1dtj n SER 42 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1dtj n SER 42 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1dtj n SER 42 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1dtj n THR 51 N 0.00 -1.21 0.05 6.66 -2.24 -1.26 -5.12 114.28 111.16 1dtj n THR 51 Ca 0.00 0.55 -0.00 0.00 -2.27 0.00 0.00 64.05 62.33 1dtj n THR 51 Cb 0.00 -0.88 -0.06 0.00 -2.10 0.00 0.00 70.33 67.29 1dtj n THR 51 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1dtj h ARG 52 N 0.13 0.00 -6.13 -0.78 -0.00 -2.01 -3.47 114.38 102.12 1dtj h ARG 52 Ca 0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 59.98 59.31 1dtj h ARG 52 Cb 0.28 0.00 -0.15 0.00 -0.00 0.00 0.00 29.97 30.10 1dtj h ARG 52 CO 0.00 0.38 -0.65 -0.80 -0.00 0.00 0.00 179.97 178.89 1dtj s ASN 53 N -5.99 5.03 0.20 0.08 0.01 -1.26 0.99 114.94 114.00 1dtj s ASN 53 Ca -0.01 0.01 -0.02 0.00 -0.71 0.00 0.00 52.86 52.12 1dtj s ASN 53 Cb 0.08 -1.32 -0.05 0.00 0.41 0.00 0.00 41.25 40.38 1dtj s ASN 53 CO 0.80 0.31 0.42 -0.13 -1.51 0.00 0.00 177.10 176.99 1dtj s ARG 54 N -1.30 3.57 -0.14 -0.60 0.52 0.10 -4.77 118.95 116.34 1dtj s ARG 54 Ca 0.17 -0.21 -0.17 0.00 -0.52 0.00 0.00 55.73 55.00 1dtj s ARG 54 Cb -0.11 -2.80 -0.04 0.00 0.52 0.00 0.00 34.95 32.51 1dtj s ARG 54 CO 0.07 0.38 0.41 -0.98 0.02 0.00 0.00 175.30 175.20 1dtj s ARG 55 N -3.20 4.31 -0.16 3.54 1.04 -1.26 -1.27 118.95 121.94 1dtj s ARG 55 Ca 0.40 0.31 -0.02 0.00 -1.04 0.00 0.00 55.73 55.38 1dtj s ARG 55 Cb -0.11 -3.43 -0.02 0.00 -2.04 0.00 0.00 34.95 29.34 1dtj s ARG 55 CO 0.28 0.18 -0.08 0.08 -0.04 0.00 0.00 175.30 175.72 1dtj s VAL 56 N 0.59 3.44 -0.19 4.99 1.01 0.12 -4.12 120.40 126.24 1dtj s VAL 56 Ca 0.22 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1dtj s VAL 56 Cb -0.14 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1dtj s VAL 56 CO 0.08 0.49 -0.00 -0.89 0.00 0.00 0.00 175.10 174.78 1dtj s THR 57 N 0.57 4.00 -0.11 3.92 2.01 -0.15 -1.54 115.64 124.34 1dtj s THR 57 Ca -0.05 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 61.67 1dtj s THR 57 Cb -0.15 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.57 1dtj s THR 57 CO 0.03 0.44 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.58 1dtj s ILE 58 N 0.84 1.75 0.00 1.82 1.01 0.39 -0.11 121.20 126.90 1dtj s ILE 58 Ca 0.01 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.88 1dtj s ILE 58 Cb -0.14 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 1dtj s ILE 58 CO 0.02 0.49 -0.13 0.42 0.00 0.00 0.00 174.94 175.74 1dtj s THR 59 N 0.74 1.00 -5.00 2.92 -4.23 0.15 -0.46 115.64 110.76 1dtj s THR 59 Ca -0.11 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1dtj s THR 59 Cb -0.16 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 72.83 1dtj s THR 59 CO 0.02 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 1dtj n GLY 60 N 2.57 -0.16 3.76 3.99 0.00 -0.97 -1.16 105.19 113.22 1dtj n GLY 60 Ca -0.15 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 1dtj n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dtj s SER 61 N -4.00 3.67 0.15 1.61 1.04 -1.26 0.04 113.70 114.95 1dtj s SER 61 Ca 0.00 1.26 -0.19 0.00 0.48 0.00 0.00 55.95 57.50 1dtj s SER 61 Cb 0.00 -1.93 0.04 0.00 0.10 0.00 0.00 66.02 64.23 1dtj s SER 61 CO 0.00 -2.48 1.68 -0.65 0.98 0.00 0.00 173.24 172.77 1dtj h PRO 62 N -1.44 -0.03 -0.32 4.02 0.11 -1.94 -1.00 132.00 131.41 1dtj h PRO 62 Ca -0.50 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 1dtj h PRO 62 Cb 1.30 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1dtj h PRO 62 CO 0.58 -0.02 -0.21 0.00 -0.21 0.00 0.00 178.00 178.14 1dtj h ALA 63 N 1.26 1.04 0.05 -0.75 0.00 -1.97 -1.12 119.26 117.77 1dtj h ALA 63 Ca 0.15 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1dtj h ALA 63 Cb 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1dtj h ALA 63 CO -0.33 0.58 -0.03 0.00 0.00 0.00 0.00 179.25 179.47 1dtj h ALA 64 N 1.24 -0.07 -0.89 0.00 0.00 -1.73 -1.74 119.26 116.08 1dtj h ALA 64 Ca 0.08 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1dtj h ALA 64 Cb 0.66 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1dtj h ALA 64 CO 0.05 -0.36 0.58 0.00 0.00 0.00 0.00 179.25 179.52 1dtj h THR 65 N -0.43 1.17 -0.25 0.00 1.03 -1.12 -1.62 112.91 111.69 1dtj h THR 65 Ca -0.01 -0.39 -0.15 0.00 -0.01 0.00 0.00 66.41 65.86 1dtj h THR 65 Cb 0.38 -0.06 -0.01 0.00 -1.07 0.00 0.00 68.15 67.40 1dtj h THR 65 CO 0.01 0.21 -0.46 -0.61 -0.01 0.00 0.00 175.52 174.66 1dtj h GLN 66 N 1.13 0.63 -0.48 0.00 4.15 -1.15 -0.98 115.11 118.41 1dtj h GLN 66 Ca 0.35 -0.35 -0.12 0.00 0.77 0.00 0.00 58.65 59.29 1dtj h GLN 66 Cb -0.02 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1dtj h GLN 66 CO -0.10 0.96 -0.17 0.00 -1.93 0.00 0.00 178.83 177.59 1dtj h ALA 67 N 0.99 0.67 -0.22 3.38 0.00 -0.60 -0.48 119.26 123.00 1dtj h ALA 67 Ca 0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1dtj h ALA 67 Cb 0.99 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1dtj h ALA 67 CO 0.09 0.62 0.11 0.00 0.00 0.00 0.00 179.25 180.08 1dtj h ALA 68 N 0.87 0.28 -0.58 0.00 0.00 -1.28 0.23 119.26 118.79 1dtj h ALA 68 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1dtj h ALA 68 Cb 0.74 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1dtj h ALA 68 CO 0.06 -0.17 0.34 0.37 0.00 0.00 0.00 179.25 179.85 1dtj h GLN 69 N 0.24 0.79 -0.07 0.00 -0.00 -1.03 0.00 115.11 115.04 1dtj h GLN 69 Ca 0.08 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1dtj h GLN 69 Cb 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 27.48 27.41 1dtj h GLN 69 CO -0.01 0.58 0.03 -0.92 0.00 0.00 0.00 178.83 178.51 1dtj h TYR 70 N 0.78 0.11 -0.82 3.99 3.20 -0.88 0.51 116.97 123.85 1dtj h TYR 70 Ca 0.21 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.10 1dtj h TYR 70 Cb 0.00 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 1dtj h TYR 70 CO -0.02 0.24 0.53 -0.07 -1.64 0.00 0.00 178.16 177.20 1dtj h LEU 71 N -0.05 0.88 -0.31 2.82 3.38 -0.68 -0.81 115.31 120.55 1dtj h LEU 71 Ca 0.02 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1dtj h LEU 71 Cb 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1dtj h LEU 71 CO -0.00 0.61 0.15 0.40 0.09 0.00 0.00 178.44 179.69 1dtj h ILE 72 N 1.04 0.99 -0.50 1.22 1.08 -0.76 -2.25 117.51 118.33 1dtj h ILE 72 Ca 0.33 -0.11 0.09 0.00 -0.39 0.00 0.00 64.86 64.78 1dtj h ILE 72 Cb -0.01 0.64 -0.08 0.00 -3.07 0.00 0.00 36.82 34.31 1dtj h ILE 72 CO -0.11 0.06 0.03 0.28 -0.69 0.00 0.00 178.15 177.72 1dtj h SER 73 N 0.32 -0.15 -0.99 1.72 0.02 -0.40 -0.94 113.55 113.13 1dtj h SER 73 Ca 0.13 0.11 0.08 0.00 -0.84 0.00 0.00 61.79 61.27 1dtj h SER 73 Cb 0.04 0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.70 1dtj h SER 73 CO -0.09 -0.04 0.64 1.56 -1.14 0.00 0.00 176.83 177.76 1dtj h GLN 74 N 0.15 1.08 -0.01 3.45 1.08 -0.70 -2.56 115.11 117.60 1dtj h GLN 74 Ca 0.25 -0.06 -0.18 0.00 -1.45 0.00 0.00 58.65 57.21 1dtj h GLN 74 Cb 0.37 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1dtj h GLN 74 CO -0.39 0.71 -0.80 0.00 -0.95 0.00 0.00 178.83 177.40 1dtj h ARG 75 N 1.11 0.16 -5.41 1.46 2.47 -0.66 -3.38 114.38 110.14 1dtj h ARG 75 Ca 0.44 -0.16 -0.68 0.00 -1.26 0.00 0.00 59.98 58.32 1dtj h ARG 75 Cb 0.25 0.04 -0.14 0.00 -1.65 0.00 0.00 29.97 28.48 1dtj h ARG 75 CO -0.19 0.88 1.46 0.08 0.56 0.00 0.00 179.97 182.76 1dtj s VAL 76 N -3.32 4.47 0.00 2.04 1.01 -0.51 -4.92 120.40 119.18 1dtj s VAL 76 Ca -0.03 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.20 1dtj s VAL 76 Cb 0.11 -4.98 0.00 0.00 0.00 0.00 0.00 36.38 31.50 1dtj s VAL 76 CO 0.81 -1.77 0.00 0.35 0.00 0.00 0.00 175.10 174.50