#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 1.65 0.23 3.17 0.00 -1.26 -4.25 119.74 119.28 1dtj s LYS 5 Ca 0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 55.97 54.86 1dtj s LYS 5 Cb 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 37.83 35.99 1dtj s LYS 5 CO 0.00 0.47 0.29 -1.83 0.00 0.00 0.00 175.35 174.28 1dtj s GLU 6 N -1.24 1.41 0.02 1.78 -1.05 0.76 -4.95 118.70 115.43 1dtj s GLU 6 Ca 0.10 -1.52 0.09 0.00 -0.15 0.00 0.00 54.97 53.49 1dtj s GLU 6 Cb -0.10 0.36 -0.03 0.00 -0.44 0.00 0.00 34.13 33.93 1dtj s GLU 6 CO 0.02 -0.53 -0.25 -1.17 0.95 0.00 0.00 175.26 174.28 1dtj s LEU 7 N -3.12 2.18 -0.05 1.83 0.20 -1.26 -2.18 118.68 116.28 1dtj s LEU 7 Ca 0.32 -0.53 0.04 0.00 0.69 0.00 0.00 54.13 54.65 1dtj s LEU 7 Cb 0.03 -1.33 0.00 0.00 -0.43 0.00 0.00 46.19 44.47 1dtj s LEU 7 CO 0.12 0.28 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.61 1dtj s VAL 8 N -0.76 1.40 -0.04 1.68 1.01 0.16 -4.97 120.40 118.88 1dtj s VAL 8 Ca 0.11 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.49 1dtj s VAL 8 Cb -0.10 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 1dtj s VAL 8 CO 0.01 0.41 -0.25 -0.70 0.00 0.00 0.00 175.10 174.57 1dtj s GLU 9 N 0.22 2.34 0.19 2.72 2.12 -1.26 -0.71 118.70 124.31 1dtj s GLU 9 Ca -0.08 -0.91 -0.01 0.00 0.36 0.00 0.00 54.97 54.34 1dtj s GLU 9 Cb -0.13 -2.09 -0.04 0.00 0.26 0.00 0.00 34.13 32.13 1dtj s GLU 9 CO 0.03 0.45 0.11 0.00 -0.54 0.00 0.00 175.26 175.31 1dtj s MET 10 N -0.35 1.14 -0.08 4.30 0.23 -0.53 -4.98 119.30 119.03 1dtj s MET 10 Ca 0.02 -1.59 0.02 0.00 -1.03 0.00 0.00 55.69 53.12 1dtj s MET 10 Cb -0.12 0.24 -0.02 0.00 -1.53 0.00 0.00 34.83 33.40 1dtj s MET 10 CO 0.02 -0.36 -0.14 0.00 -2.03 0.00 0.00 175.02 172.51 1dtj s ALA 11 N -4.12 2.63 0.05 3.16 0.00 -1.26 0.08 121.76 122.30 1dtj s ALA 11 Ca 0.35 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.42 1dtj s ALA 11 Cb 0.07 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1dtj s ALA 11 CO 0.10 0.44 -0.16 0.08 0.00 0.00 0.00 175.76 176.22 1dtj s VAL 12 N -0.32 1.24 0.29 0.00 1.01 -0.35 -4.94 120.40 117.33 1dtj s VAL 12 Ca 0.03 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 1dtj s VAL 12 Cb -0.13 -1.13 -0.11 0.00 0.00 0.00 0.00 36.38 35.01 1dtj s VAL 12 CO 0.03 -0.03 1.50 -2.84 0.00 0.00 0.00 175.10 173.75 1dtj s PRO 13 N -1.37 4.19 0.30 2.72 0.02 -1.26 0.05 135.00 139.64 1dtj s PRO 13 Ca 0.02 2.45 0.03 0.00 0.02 0.00 0.00 61.00 63.52 1dtj s PRO 13 Cb -0.09 -3.05 0.62 0.00 0.02 0.00 0.00 34.50 32.01 1dtj s PRO 13 CO 0.02 -0.50 1.83 1.49 -0.33 0.00 0.00 177.00 179.51 1dtj h GLU 14 N 4.49 0.89 -1.03 5.54 4.57 -1.35 -0.87 114.58 126.83 1dtj h GLU 14 Ca -0.47 -0.05 0.28 0.00 -1.18 0.00 0.00 59.36 57.93 1dtj h GLU 14 Cb 1.22 -0.20 -0.07 0.00 -0.16 0.00 0.00 28.75 29.54 1dtj h GLU 14 CO 0.75 0.59 0.70 -0.91 -1.18 0.00 0.00 179.01 178.96 1dtj h ASN 15 N 0.92 0.24 -0.01 1.04 -0.26 -1.90 -2.02 115.58 113.60 1dtj h ASN 15 Ca 0.50 0.04 0.00 0.00 -0.56 0.00 0.00 56.30 56.28 1dtj h ASN 15 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 1dtj h ASN 15 CO -0.27 0.06 -0.44 0.18 -1.06 0.00 0.00 177.43 175.90 1dtj n LEU 16 N -4.43 1.86 -0.45 1.61 7.99 -0.35 -4.62 117.00 118.61 1dtj n LEU 16 Ca 0.23 -0.75 0.40 0.00 -0.01 0.00 0.00 56.01 55.88 1dtj n LEU 16 Cb 0.96 0.00 0.75 0.00 -0.11 0.00 0.00 43.42 45.02 1dtj n LEU 16 CO 0.33 0.35 1.36 0.58 -1.51 0.00 0.00 177.39 178.50 1dtj h VAL 17 N 2.14 0.27 0.00 4.08 2.07 -1.12 0.72 116.25 124.41 1dtj h VAL 17 Ca 0.00 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 1dtj h VAL 17 Cb 0.68 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1dtj h VAL 17 CO 0.00 0.01 -0.53 1.23 0.02 0.00 0.00 177.57 178.29 1dtj h GLY 18 N 0.03 0.00 0.52 2.17 0.00 -1.82 -2.94 103.07 101.03 1dtj h GLY 18 Ca 0.71 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.04 1dtj h GLY 18 CO -0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.48 1dtj n ALA 19 N -2.29 2.27 -3.62 3.60 0.00 0.25 -5.05 120.51 115.66 1dtj n ALA 19 Ca 0.01 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 1dtj n ALA 19 Cb 0.66 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.79 1dtj n ALA 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1dtj s ILE 20 N -2.00 0.67 0.00 0.00 2.07 -1.12 -4.98 121.20 115.84 1dtj s ILE 20 Ca 0.17 -1.71 0.00 0.00 -1.41 0.00 0.00 60.65 57.70 1dtj s ILE 20 Cb 0.08 -1.49 0.00 0.00 0.13 0.00 0.00 42.46 41.18 1dtj s ILE 20 CO 0.13 -0.83 0.00 1.07 -1.91 0.00 0.00 174.94 173.40 1dtj n THR 27 N 4.32 0.00 0.22 4.00 5.66 -1.26 -5.00 114.28 122.23 1dtj n THR 27 Ca 0.04 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.15 1dtj n THR 27 Cb 0.38 0.00 0.42 0.00 -1.55 0.00 0.00 70.33 69.58 1dtj n THR 27 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1dtj h LEU 28 N 0.00 0.00 0.04 1.09 6.46 -1.98 -1.42 115.31 119.50 1dtj h LEU 28 Ca 0.00 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.51 1dtj h LEU 28 Cb 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1dtj h LEU 28 CO 0.00 0.19 -1.14 0.58 -0.62 0.00 0.00 178.44 177.45 1dtj h VAL 29 N 0.00 1.51 -0.07 1.05 2.07 -1.98 -2.85 116.25 115.97 1dtj h VAL 29 Ca -0.00 -2.97 -0.12 0.00 0.82 0.00 0.00 66.70 64.43 1dtj h VAL 29 Cb 0.80 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 1dtj h VAL 29 CO 0.02 0.87 -0.50 -0.08 0.02 0.00 0.00 177.57 177.90 1dtj h GLU 30 N 0.09 0.19 -0.14 1.57 4.81 -1.90 -2.42 114.58 116.78 1dtj h GLU 30 Ca -0.11 -0.11 -0.18 0.00 -0.13 0.00 0.00 59.36 58.84 1dtj h GLU 30 Cb 1.86 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.24 1dtj h GLU 30 CO 0.19 0.65 -0.65 1.88 -0.73 0.00 0.00 179.01 180.35 1dtj h TYR 31 N 0.15 0.68 -0.24 0.92 0.99 -1.28 0.82 116.97 119.02 1dtj h TYR 31 Ca 0.01 -0.27 -0.14 0.00 2.00 0.00 0.00 58.73 60.33 1dtj h TYR 31 Cb 0.94 -0.12 -0.01 0.00 1.00 0.00 0.00 36.73 38.54 1dtj h TYR 31 CO 0.01 1.03 -0.42 1.96 -0.00 0.00 0.00 178.16 180.74 1dtj h GLN 32 N 0.38 0.58 0.00 4.88 4.20 -1.41 -1.99 115.11 121.75 1dtj h GLN 32 Ca -0.01 -0.30 -0.22 0.00 0.06 0.00 0.00 58.65 58.17 1dtj h GLN 32 Cb 1.21 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 1dtj h GLN 32 CO 0.12 0.89 -0.93 1.49 -0.67 0.00 0.00 178.83 179.73 1dtj h GLU 33 N 0.48 0.36 -0.31 1.46 4.81 -1.34 0.67 114.58 120.71 1dtj h GLU 33 Ca 0.04 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 58.85 1dtj h GLU 33 Cb 0.93 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1dtj h GLU 33 CO 0.08 1.07 0.07 -0.07 -0.73 0.00 0.00 179.01 179.44 1dtj h LEU 34 N 0.20 0.47 0.00 1.64 3.38 -0.69 -3.35 115.31 116.96 1dtj h LEU 34 Ca -0.07 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.50 1dtj h LEU 34 Cb 1.57 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.16 1dtj h LEU 34 CO 0.16 0.58 -1.81 0.35 0.09 0.00 0.00 178.44 177.81 1dtj n THR 35 N -4.65 0.88 -0.67 0.22 -2.24 -0.76 -4.97 114.28 102.08 1dtj n THR 35 Ca -0.02 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1dtj n THR 35 Cb 0.19 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1dtj n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dtj n GLY 36 N 1.44 0.67 3.75 3.38 0.00 0.22 -4.58 105.19 110.07 1dtj n GLY 36 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.02 3.49 -0.17 4.61 0.00 -1.20 -4.80 121.76 121.67 1dtj s ALA 37 Ca 0.00 -1.10 -0.18 0.00 0.00 0.00 0.00 51.96 50.68 1dtj s ALA 37 Cb 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 1dtj s ALA 37 CO 0.00 0.67 0.49 1.03 0.00 0.00 0.00 175.76 177.95 1dtj s ARG 38 N -2.56 4.25 -0.12 0.00 1.81 -0.28 -4.31 118.95 117.75 1dtj s ARG 38 Ca 0.29 0.40 0.03 0.00 -1.72 0.00 0.00 55.73 54.73 1dtj s ARG 38 Cb -0.11 -3.51 0.00 0.00 -0.45 0.00 0.00 34.95 30.88 1dtj s ARG 38 CO 0.21 -0.01 -0.23 0.42 -0.68 0.00 0.00 175.30 175.01 1dtj s ILE 39 N 1.20 2.03 -0.10 1.52 1.01 -1.26 -0.80 121.20 124.79 1dtj s ILE 39 Ca 0.24 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 59.91 1dtj s ILE 39 Cb -0.15 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.57 1dtj s ILE 39 CO 0.10 0.55 -0.07 -1.10 0.00 0.00 0.00 174.94 174.41 1dtj s GLN 40 N 0.55 1.45 -0.06 2.79 -1.52 0.43 -4.98 119.66 118.32 1dtj s GLN 40 Ca -0.14 -0.23 -0.11 0.00 -1.95 0.00 0.00 55.36 52.93 1dtj s GLN 40 Cb -0.17 -1.51 -0.05 0.00 -0.22 0.00 0.00 33.01 31.06 1dtj s GLN 40 CO 0.04 -0.25 0.28 0.42 -0.25 0.00 0.00 175.29 175.54 1dtj s ILE 41 N 1.64 5.26 0.00 1.08 -1.09 -1.26 -0.97 121.20 125.85 1dtj s ILE 41 Ca 0.03 0.54 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 1dtj s ILE 41 Cb -0.13 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1dtj s ILE 41 CO -0.07 0.58 0.00 -1.54 -1.23 0.00 0.00 174.94 172.68 1dtj n SER 42 N 2.04 0.00 -0.32 3.58 3.41 -1.17 -5.01 113.62 116.15 1dtj n SER 42 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 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 -1.39 0.10 6.66 -2.24 -1.26 -5.04 114.28 111.11 1dtj n THR 51 Ca 0.00 0.42 -0.15 0.00 -2.27 0.00 0.00 64.05 62.04 1dtj n THR 51 Cb 0.00 -0.60 -0.11 0.00 -2.10 0.00 0.00 70.33 67.52 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 0.22 0.33 -6.79 -0.78 -0.00 -2.02 -3.47 114.38 101.87 1dtj h ARG 52 Ca 0.00 -0.48 -0.69 0.00 -0.00 0.00 0.00 59.98 58.81 1dtj h ARG 52 Cb 0.07 0.17 -0.22 0.00 -0.00 0.00 0.00 29.97 29.99 1dtj h ARG 52 CO 0.00 1.19 -0.85 -0.80 -0.00 0.00 0.00 179.97 179.52 1dtj s ASN 53 N -7.15 3.48 0.03 0.08 0.01 -1.26 -0.92 114.94 109.22 1dtj s ASN 53 Ca -0.05 -0.63 -0.06 0.00 -0.71 0.00 0.00 52.86 51.42 1dtj s ASN 53 Cb 0.07 -0.36 -0.05 0.00 0.41 0.00 0.00 41.25 41.32 1dtj s ASN 53 CO 0.88 0.21 0.28 -0.13 -1.51 0.00 0.00 177.10 176.83 1dtj s ARG 54 N -1.82 3.58 0.11 -0.60 0.52 0.11 -4.83 118.95 116.01 1dtj s ARG 54 Ca 0.15 -0.10 -0.22 0.00 -0.52 0.00 0.00 55.73 55.04 1dtj s ARG 54 Cb -0.10 -3.04 -0.07 0.00 0.52 0.00 0.00 34.95 32.26 1dtj s ARG 54 CO 0.06 0.62 0.65 -0.98 0.02 0.00 0.00 175.30 175.67 1dtj s ARG 55 N -1.96 4.35 -0.09 3.54 1.04 -1.26 -1.22 118.95 123.36 1dtj s ARG 55 Ca 0.30 0.91 0.04 0.00 -1.04 0.00 0.00 55.73 55.95 1dtj s ARG 55 Cb -0.13 -3.25 -0.00 0.00 -2.04 0.00 0.00 34.95 29.53 1dtj s ARG 55 CO 0.18 0.61 -0.24 0.08 -0.04 0.00 0.00 175.30 175.89 1dtj s VAL 56 N -1.10 2.07 -0.15 4.99 1.01 0.11 -3.01 120.40 124.31 1dtj s VAL 56 Ca 0.32 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1dtj s VAL 56 Cb -0.21 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1dtj s VAL 56 CO 0.22 0.56 -0.12 -0.89 0.00 0.00 0.00 175.10 174.87 1dtj s THR 57 N 0.22 2.97 -0.06 3.92 2.01 -0.15 -1.46 115.64 123.09 1dtj s THR 57 Ca -0.15 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.22 1dtj s THR 57 Cb -0.17 -2.27 -0.00 0.00 0.01 0.00 0.00 72.50 70.07 1dtj s THR 57 CO 0.08 0.51 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.69 1dtj s ILE 58 N 0.68 1.66 0.03 1.82 1.01 0.11 -0.43 121.20 126.10 1dtj s ILE 58 Ca -0.06 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1dtj s ILE 58 Cb -0.15 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 1dtj s ILE 58 CO 0.02 0.47 -0.07 0.42 0.00 0.00 0.00 174.94 175.78 1dtj s THR 59 N 0.15 0.51 -5.00 2.92 -4.23 0.02 0.36 115.64 110.37 1dtj s THR 59 Ca -0.08 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1dtj s THR 59 Cb -0.14 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.14 1dtj s THR 59 CO 0.04 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1dtj n GLY 60 N 1.69 0.20 3.77 3.99 0.00 -0.93 -1.12 105.19 112.79 1dtj n GLY 60 Ca -0.21 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 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 4.43 0.19 1.61 1.04 -1.26 -0.17 113.70 115.54 1dtj s SER 61 Ca 0.00 1.66 -0.12 0.00 0.48 0.00 0.00 55.95 57.97 1dtj s SER 61 Cb 0.00 -2.39 0.20 0.00 0.10 0.00 0.00 66.02 63.93 1dtj s SER 61 CO 0.00 -2.06 1.75 -0.65 0.98 0.00 0.00 173.24 173.27 1dtj h PRO 62 N -1.14 0.38 -0.45 4.02 0.11 -1.94 -1.08 132.00 131.90 1dtj h PRO 62 Ca -0.45 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1dtj h PRO 62 Cb 1.24 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1dtj h PRO 62 CO 0.54 0.25 0.12 0.00 -0.21 0.00 0.00 178.00 178.70 1dtj h ALA 63 N 1.35 0.60 -0.32 -0.75 0.00 -1.95 -1.95 119.26 116.23 1dtj h ALA 63 Ca 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1dtj h ALA 63 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1dtj h ALA 63 CO -0.25 0.27 0.14 0.00 0.00 0.00 0.00 179.25 179.41 1dtj h ALA 64 N 0.98 0.42 -0.73 0.00 0.00 -1.77 -1.47 119.26 116.68 1dtj h ALA 64 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1dtj h ALA 64 Cb 0.30 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1dtj h ALA 64 CO -0.00 0.01 0.42 1.15 0.00 0.00 0.00 179.25 180.83 1dtj h THR 65 N 0.38 1.22 -0.12 0.00 2.02 -1.18 -0.66 112.91 114.57 1dtj h THR 65 Ca 0.11 -0.50 -0.20 0.00 0.77 0.00 0.00 66.41 66.59 1dtj h THR 65 Cb 0.16 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1dtj h THR 65 CO -0.01 0.23 -0.73 -0.61 0.37 0.00 0.00 175.52 174.77 1dtj h GLN 66 N 1.01 0.56 -0.52 6.66 4.15 -1.22 -1.24 115.11 124.50 1dtj h GLN 66 Ca 0.26 -0.45 -0.05 0.00 0.77 0.00 0.00 58.65 59.17 1dtj h GLN 66 Cb -0.00 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 1dtj h GLN 66 CO -0.05 1.08 0.11 0.00 -1.93 0.00 0.00 178.83 178.04 1dtj h ALA 67 N 0.80 0.69 0.36 3.38 0.00 -0.83 -0.47 119.26 123.18 1dtj h ALA 67 Ca -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1dtj h ALA 67 Cb 1.33 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1dtj h ALA 67 CO 0.14 0.40 -0.19 0.00 0.00 0.00 0.00 179.25 179.60 1dtj h ALA 68 N 0.99 -0.50 -0.55 0.00 0.00 -1.09 -0.22 119.26 117.89 1dtj h ALA 68 Ca 0.16 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1dtj h ALA 68 Cb 0.36 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 1dtj h ALA 68 CO 0.00 -0.78 0.09 0.37 0.00 0.00 0.00 179.25 178.93 1dtj h GLN 69 N -0.50 0.21 -0.25 0.00 -0.00 -1.12 -1.01 115.11 112.44 1dtj h GLN 69 Ca -0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 1dtj h GLN 69 Cb 0.39 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.81 1dtj h GLN 69 CO 0.07 0.14 0.16 -0.92 0.00 0.00 0.00 178.83 178.28 1dtj h TYR 70 N 0.22 0.32 -0.08 3.99 3.20 -0.86 -1.37 116.97 122.39 1dtj h TYR 70 Ca 0.28 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.07 1dtj h TYR 70 Cb 0.41 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1dtj h TYR 70 CO -0.26 0.21 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.07 1dtj h LEU 71 N 0.33 0.14 -0.20 2.82 3.38 -0.22 -1.23 115.31 120.33 1dtj h LEU 71 Ca 0.09 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1dtj h LEU 71 Cb -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1dtj h LEU 71 CO -0.02 0.48 0.05 0.40 0.09 0.00 0.00 178.44 179.44 1dtj h ILE 72 N 0.13 1.20 -0.56 1.22 1.08 -1.06 -2.71 117.51 116.81 1dtj h ILE 72 Ca 0.02 -0.63 0.08 0.00 -0.39 0.00 0.00 64.86 63.93 1dtj h ILE 72 Cb 0.66 1.24 -0.03 0.00 -3.07 0.00 0.00 36.82 35.61 1dtj h ILE 72 CO 0.05 0.20 0.37 0.28 -0.69 0.00 0.00 178.15 178.36 1dtj h SER 73 N 0.15 0.39 0.06 1.72 0.02 -0.83 -0.80 113.55 114.25 1dtj h SER 73 Ca 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1dtj h SER 73 Cb 0.25 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1dtj h SER 73 CO -0.00 0.24 -0.04 1.56 -1.14 0.00 0.00 176.83 177.46 1dtj h GLN 74 N 0.44 0.00 0.00 3.45 1.08 -0.90 -1.34 115.11 117.84 1dtj h GLN 74 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1dtj h GLN 74 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1dtj h GLN 74 CO -0.07 0.04 0.00 0.00 -0.95 0.00 0.00 178.83 177.85 1dtj h ARG 75 N 0.00 0.00 0.00 1.46 2.47 -1.14 -3.17 114.38 114.00 1dtj h ARG 75 Ca -0.00 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.42 1dtj h ARG 75 Cb 0.08 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.35 1dtj h ARG 75 CO 0.00 0.00 -1.80 0.28 0.56 0.00 0.00 179.97 179.02 1dtj n VAL 76 N -2.97 1.52 -3.55 2.04 0.31 -0.60 -4.92 118.33 110.15 1dtj n VAL 76 Ca 0.02 -0.16 -0.21 0.00 -0.01 0.00 0.00 64.34 63.98 1dtj n VAL 76 Cb 0.36 -2.03 -0.15 0.00 -0.91 0.00 0.00 33.84 31.11 1dtj n VAL 76 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1dtj s THR 77 N -2.50 -0.24 0.01 2.52 2.01 -0.61 -5.13 115.64 111.70 1dtj s THR 77 Ca -0.33 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 1dtj s THR 77 Cb 0.10 -0.60 -0.06 0.00 0.01 0.00 0.00 72.50 71.95 1dtj s THR 77 CO 0.49 -0.19 1.40 -0.47 -0.69 0.00 0.00 174.62 175.16 1dtj s TYR 78 N 2.26 2.88 0.00 4.92 5.04 -1.20 -4.29 117.35 126.97 1dtj s TYR 78 Ca 0.05 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.51 1dtj s TYR 78 Cb -0.15 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 38.49 1dtj s TYR 78 CO -0.10 -2.45 0.40 0.39 -1.34 0.00 0.00 175.55 172.45