#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4s s GLN 2 N 0.00 3.46 -0.15 0.54 0.74 -1.26 -5.09 119.66 117.90 1d4s s GLN 2 Ca 0.00 -0.61 -0.03 0.00 0.05 0.00 0.00 55.36 54.77 1d4s s GLN 2 Cb 0.00 -3.32 -0.02 0.00 1.10 0.00 0.00 33.01 30.76 1d4s s GLN 2 CO 0.00 -0.27 -0.06 0.42 -0.55 0.00 0.00 175.29 174.83 1d4s s ILE 3 N 1.57 3.69 0.63 -2.34 1.01 -1.26 -5.11 121.20 119.39 1d4s s ILE 3 Ca 0.05 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1d4s s ILE 3 Cb -0.16 -2.61 0.08 0.00 0.01 0.00 0.00 42.46 39.78 1d4s s ILE 3 CO 0.03 0.50 0.87 0.42 0.00 0.00 0.00 174.94 176.75 1d4s s THR 4 N 0.40 2.40 -0.18 2.92 -4.23 -1.26 -5.04 115.64 110.64 1d4s s THR 4 Ca -0.05 -0.66 0.13 0.00 -1.18 0.00 0.00 61.69 59.93 1d4s s THR 4 Cb -0.15 -2.73 0.38 0.00 1.34 0.00 0.00 72.50 71.34 1d4s s THR 4 CO 0.03 0.00 1.20 0.18 -0.54 0.00 0.00 174.62 175.49 1d4s n LEU 5 N -2.54 2.49 0.07 4.79 4.77 -1.26 -4.60 117.00 120.72 1d4s n LEU 5 Ca 0.12 -3.57 0.12 0.00 -0.03 0.00 0.00 56.01 52.65 1d4s n LEU 5 Cb 0.60 -0.47 0.46 0.00 -2.33 0.00 0.00 43.42 41.68 1d4s n LEU 5 CO 0.43 1.18 0.88 0.79 -1.33 0.00 0.00 177.39 179.34 1d4s n TRP 6 N -1.10 0.58 -4.47 -1.77 7.02 -1.26 -4.74 117.44 111.69 1d4s n TRP 6 Ca 0.17 0.19 -0.23 0.00 -1.02 0.00 0.00 57.50 56.61 1d4s n TRP 6 Cb 0.70 -0.80 -0.10 0.00 -2.42 0.00 0.00 31.31 28.68 1d4s n TRP 6 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1d4s s GLN 7 N -3.11 1.66 0.39 -0.99 -0.21 -1.26 -5.11 119.66 111.02 1d4s s GLN 7 Ca 0.10 -1.86 -0.26 0.00 0.02 0.00 0.00 55.36 53.35 1d4s s GLN 7 Cb 0.13 -1.31 -0.09 0.00 1.00 0.00 0.00 33.01 32.75 1d4s s GLN 7 CO 0.50 0.04 1.22 1.03 -2.12 0.00 0.00 175.29 175.95 1d4s s ARG 8 N -3.71 4.08 -1.27 2.91 0.52 -1.26 -4.85 118.95 115.37 1d4s s ARG 8 Ca 0.31 1.97 -0.13 0.00 -0.52 0.00 0.00 55.73 57.37 1d4s s ARG 8 Cb 0.04 -2.77 -0.05 0.00 0.52 0.00 0.00 34.95 32.69 1d4s s ARG 8 CO 0.14 -0.33 2.37 -2.30 0.02 0.00 0.00 175.30 175.19 1d4s n PRO 9 N 0.22 2.69 -2.69 3.54 -0.02 -1.26 -4.93 135.00 132.55 1d4s n PRO 9 Ca 0.03 -2.11 -0.41 0.00 -2.02 0.00 0.00 63.50 59.00 1d4s n PRO 9 Cb 0.45 -2.91 -0.05 0.00 -0.02 0.00 0.00 33.50 30.97 1d4s n PRO 9 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1d4s s LEU 10 N 0.99 4.55 0.13 2.45 1.43 -1.26 -1.79 118.68 125.18 1d4s s LEU 10 Ca 0.54 1.91 0.02 0.00 -1.03 0.00 0.00 54.13 55.58 1d4s s LEU 10 Cb 0.14 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1d4s s LEU 10 CO -0.03 -0.02 -0.05 0.68 0.23 0.00 0.00 176.35 177.16 1d4s s VAL 11 N -0.48 0.79 -0.17 -1.59 -7.23 -0.20 -4.96 120.40 106.56 1d4s s VAL 11 Ca 0.45 -1.97 -0.14 0.00 -1.81 0.00 0.00 61.98 58.51 1d4s s VAL 11 Cb -0.25 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 1d4s s VAL 11 CO 0.32 -0.73 0.30 -0.89 -0.31 0.00 0.00 175.10 173.78 1d4s s THR 12 N -3.57 5.30 0.04 5.32 2.01 -1.26 -0.38 115.64 123.09 1d4s s THR 12 Ca 0.16 0.54 0.04 0.00 0.31 0.00 0.00 61.69 62.74 1d4s s THR 12 Cb 0.05 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1d4s s THR 12 CO -0.01 0.37 -0.06 0.27 -0.69 0.00 0.00 174.62 174.50 1d4s s ILE 13 N 0.63 3.69 -0.36 1.82 -4.36 0.19 -3.06 121.20 119.75 1d4s s ILE 13 Ca 0.16 -0.89 -0.11 0.00 -0.26 0.00 0.00 60.65 59.55 1d4s s ILE 13 Cb -0.13 -2.66 0.02 0.00 1.25 0.00 0.00 42.46 40.94 1d4s s ILE 13 CO 0.04 0.29 0.20 -0.75 0.24 0.00 0.00 174.94 174.96 1d4s s LYS 14 N -1.72 2.94 -0.12 0.37 2.20 0.19 -0.59 119.74 123.01 1d4s s LYS 14 Ca 0.19 -1.00 -0.01 0.00 -0.36 0.00 0.00 55.97 54.80 1d4s s LYS 14 Cb -0.11 -3.70 0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1d4s s LYS 14 CO 0.11 -0.64 -0.05 -1.50 -0.36 0.00 0.00 175.35 172.91 1d4s s ILE 15 N 1.57 0.89 -1.26 5.43 2.07 -0.05 -1.41 121.20 128.44 1d4s s ILE 15 Ca 0.03 -0.29 -0.01 0.00 -1.41 0.00 0.00 60.65 58.97 1d4s s ILE 15 Cb -0.19 -0.99 -0.00 0.00 0.13 0.00 0.00 42.46 41.41 1d4s s ILE 15 CO 0.07 0.27 0.81 0.61 -1.91 0.00 0.00 174.94 174.79 1d4s n GLY 16 N 4.98 -0.36 4.47 1.50 0.00 -1.26 -1.71 105.19 112.80 1d4s n GLY 16 Ca -0.11 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1d4s n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4s n GLY 17 N -1.41 0.87 3.82 -0.02 0.00 -1.26 -4.95 105.19 102.24 1d4s n GLY 17 Ca -0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1d4s n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d4s s GLN 18 N 0.00 4.00 0.10 1.61 -0.21 -0.70 -5.07 119.66 119.40 1d4s s GLN 18 Ca 0.00 0.47 -0.21 0.00 0.02 0.00 0.00 55.36 55.64 1d4s s GLN 18 Cb 0.00 -3.24 -0.07 0.00 1.00 0.00 0.00 33.01 30.70 1d4s s GLN 18 CO 0.00 0.64 0.62 -0.51 -2.12 0.00 0.00 175.29 173.93 1d4s s LEU 19 N -0.96 4.53 0.08 2.90 1.43 -1.26 -0.87 118.68 124.54 1d4s s LEU 19 Ca 0.25 1.35 -0.01 0.00 -1.03 0.00 0.00 54.13 54.69 1d4s s LEU 19 Cb -0.17 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 1d4s s LEU 19 CO 0.14 0.25 0.01 -0.54 0.23 0.00 0.00 176.35 176.44 1d4s s LYS 20 N -1.17 0.74 -0.24 1.70 1.02 0.24 -4.94 119.74 117.10 1d4s s LYS 20 Ca 0.31 -1.31 -0.11 0.00 0.02 0.00 0.00 55.97 54.88 1d4s s LYS 20 Cb -0.20 0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.28 1d4s s LYS 20 CO 0.21 -0.17 0.20 -2.00 -0.92 0.00 0.00 175.35 172.66 1d4s s GLU 21 N -3.97 4.07 0.37 1.68 2.12 -1.26 0.55 118.70 122.25 1d4s s GLU 21 Ca 0.14 -0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.32 1d4s s GLU 21 Cb 0.08 -3.55 -0.07 0.00 0.26 0.00 0.00 34.13 30.85 1d4s s GLU 21 CO -0.05 0.02 0.04 0.00 -0.54 0.00 0.00 175.26 174.73 1d4s s ALA 22 N 1.16 2.77 -0.10 6.30 0.00 0.49 -4.49 121.76 127.89 1d4s s ALA 22 Ca 0.09 -2.13 0.00 0.00 0.00 0.00 0.00 51.96 49.92 1d4s s ALA 22 Cb -0.14 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1d4s s ALA 22 CO 0.05 -0.22 -0.11 -1.17 0.00 0.00 0.00 175.76 174.32 1d4s s LEU 23 N -3.60 2.88 -0.29 0.00 2.96 -0.23 -1.03 118.68 119.37 1d4s s LEU 23 Ca 0.35 -0.21 -0.25 0.00 -0.22 0.00 0.00 54.13 53.80 1d4s s LEU 23 Cb 0.09 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 45.15 1d4s s LEU 23 CO 0.16 0.25 0.88 -0.76 -1.32 0.00 0.00 176.35 175.56 1d4s s LEU 24 N -0.13 4.05 -0.24 -0.68 1.43 -0.74 0.52 118.68 122.88 1d4s s LEU 24 Ca -0.00 0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 53.94 1d4s s LEU 24 Cb -0.13 -3.23 0.07 0.00 0.03 0.00 0.00 46.19 42.93 1d4s s LEU 24 CO 0.03 -0.66 0.02 -0.62 0.23 0.00 0.00 176.35 175.35 1d4s s ASP 25 N 1.56 3.59 0.16 2.29 3.68 -0.47 -4.80 116.67 122.68 1d4s s ASP 25 Ca 0.36 -1.21 0.23 0.00 2.13 0.00 0.00 52.55 54.06 1d4s s ASP 25 Cb -0.14 -0.90 0.90 0.00 -1.45 0.00 0.00 42.92 41.33 1d4s s ASP 25 CO 0.12 -0.32 1.70 0.35 0.13 0.00 0.00 175.17 177.15 1d4s n THR 26 N 4.84 0.71 0.18 1.71 -2.24 -1.26 -2.79 114.28 115.43 1d4s n THR 26 Ca -0.08 0.09 0.09 0.00 -2.27 0.00 0.00 64.05 61.88 1d4s n THR 26 Cb 0.45 -0.91 0.10 0.00 -2.10 0.00 0.00 70.33 67.86 1d4s n THR 26 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1d4s h GLY 27 N 3.16 0.00 -4.90 3.38 0.00 -1.93 -3.46 103.07 99.33 1d4s h GLY 27 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1d4s h GLY 27 CO 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 176.54 176.43 1d4s s ALA 28 N -3.14 3.62 0.04 3.60 0.00 -1.12 -4.99 121.76 119.76 1d4s s ALA 28 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1d4s s ALA 28 Cb 0.06 -2.54 -0.26 0.00 0.00 0.00 0.00 23.12 20.38 1d4s s ALA 28 CO 0.71 0.38 0.98 -0.44 0.00 0.00 0.00 175.76 177.39 1d4s h ASP 29 N 4.90 0.28 -2.05 0.00 3.45 -1.87 -0.81 116.42 120.31 1d4s h ASP 29 Ca -0.49 -0.36 -0.58 0.00 0.43 0.00 0.00 57.03 56.02 1d4s h ASP 29 Cb 1.21 -0.09 -0.11 0.00 -0.56 0.00 0.00 39.33 39.78 1d4s h ASP 29 CO 0.64 1.30 -0.65 -1.81 -1.57 0.00 0.00 179.24 177.15 1d4s s ASP 30 N -6.87 4.19 -0.24 6.45 1.11 -1.26 -1.70 116.67 118.35 1d4s s ASP 30 Ca -0.06 -0.90 -0.21 0.00 0.18 0.00 0.00 52.55 51.57 1d4s s ASP 30 Cb 0.08 -0.58 -0.02 0.00 1.07 0.00 0.00 42.92 43.46 1d4s s ASP 30 CO 0.85 -0.12 0.66 -0.89 1.18 0.00 0.00 175.17 176.85 1d4s s THR 31 N -2.46 4.97 -0.20 -1.27 2.01 -1.26 -3.63 115.64 113.80 1d4s s THR 31 Ca 0.33 1.21 0.01 0.00 0.31 0.00 0.00 61.69 63.56 1d4s s THR 31 Cb -0.03 -3.97 0.03 0.00 0.01 0.00 0.00 72.50 68.55 1d4s s THR 31 CO 0.19 0.03 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.29 1d4s s VAL 32 N 2.43 2.02 0.31 3.82 1.01 -0.75 -0.16 120.40 129.08 1d4s s VAL 32 Ca 0.28 -1.08 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1d4s s VAL 32 Cb -0.16 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1d4s s VAL 32 CO 0.09 0.38 0.14 -0.76 0.00 0.00 0.00 175.10 174.94 1d4s s LEU 33 N 1.27 3.36 0.78 3.92 1.43 0.06 -0.15 118.68 129.35 1d4s s LEU 33 Ca 0.01 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.35 1d4s s LEU 33 Cb -0.15 -1.87 0.07 0.00 0.03 0.00 0.00 46.19 44.27 1d4s s LEU 33 CO -0.11 -0.21 1.11 -1.61 0.23 0.00 0.00 176.35 175.76 1d4s s GLU 34 N -3.83 2.08 -0.28 1.70 2.02 -1.26 -2.18 118.70 116.95 1d4s s GLU 34 Ca 0.36 1.28 -0.41 0.00 0.02 0.00 0.00 54.97 56.23 1d4s s GLU 34 Cb -0.04 -1.87 -0.16 0.00 0.10 0.00 0.00 34.13 32.15 1d4s s GLU 34 CO 0.23 -1.79 1.68 -1.91 0.02 0.00 0.00 175.26 173.49 1d4s n GLU 35 N -3.51 0.95 -3.46 1.61 4.07 -1.23 -4.59 120.64 114.49 1d4s n GLU 35 Ca 0.10 0.35 -0.12 0.00 -0.06 0.00 0.00 57.16 57.42 1d4s n GLU 35 Cb 0.53 -1.99 -0.03 0.00 -0.06 0.00 0.00 31.44 29.88 1d4s n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1d4s s MET 36 N 3.18 1.12 0.48 5.31 0.23 -1.26 -5.04 119.30 123.31 1d4s s MET 36 Ca 0.98 -0.29 -0.15 0.00 -1.03 0.00 0.00 55.69 55.21 1d4s s MET 36 Cb -1.14 0.52 -0.07 0.00 -1.53 0.00 0.00 34.83 32.61 1d4s s MET 36 CO 0.67 -0.46 0.92 0.45 -2.03 0.00 0.00 175.02 174.56 1d4s s SER 37 N -2.37 6.59 0.21 -1.18 0.15 -1.26 -5.04 113.70 110.81 1d4s s SER 37 Ca -0.00 1.43 -0.18 0.00 0.70 0.00 0.00 55.95 57.90 1d4s s SER 37 Cb -0.01 -2.45 0.03 0.00 -1.71 0.00 0.00 66.02 61.88 1d4s s SER 37 CO -0.08 -0.52 0.56 -0.76 1.20 0.00 0.00 173.24 173.64 1d4s s LEU 38 N -3.98 -0.02 0.56 3.45 1.43 -1.26 -5.06 118.68 113.80 1d4s s LEU 38 Ca 0.56 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.98 1d4s s LEU 38 Cb -0.10 2.26 -0.05 0.00 0.03 0.00 0.00 46.19 48.32 1d4s s LEU 38 CO 0.31 -1.11 1.05 -2.16 0.23 0.00 0.00 176.35 174.67 1d4s s PRO 39 N -3.89 3.46 0.76 1.29 0.04 -1.26 -4.96 135.00 130.45 1d4s s PRO 39 Ca 0.10 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1d4s s PRO 39 Cb -0.02 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1d4s s PRO 39 CO -0.01 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1d4s n GLY 40 N -0.78 -2.12 3.86 0.56 0.00 -1.26 -4.93 105.19 100.52 1d4s n GLY 40 Ca 0.09 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 1d4s n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d4s s ARG 41 N -0.28 3.87 0.12 1.61 0.52 -1.26 -5.09 118.95 118.44 1d4s s ARG 41 Ca 0.00 0.60 0.09 0.00 -0.52 0.00 0.00 55.73 55.91 1d4s s ARG 41 Cb 0.00 -2.36 -0.04 0.00 0.52 0.00 0.00 34.95 33.07 1d4s s ARG 41 CO 0.00 -0.02 -0.23 1.67 0.02 0.00 0.00 175.30 176.74 1d4s s TRP 42 N -2.31 2.00 0.12 -0.53 1.48 -1.26 -4.77 118.94 113.67 1d4s s TRP 42 Ca 0.53 -0.41 0.03 0.00 -1.06 0.00 0.00 56.10 55.20 1d4s s TRP 42 Cb -0.10 -1.07 -0.04 0.00 -1.16 0.00 0.00 33.47 31.10 1d4s s TRP 42 CO 0.27 0.28 0.14 0.15 -4.06 0.00 0.00 176.95 173.74 1d4s s LYS 43 N -2.08 3.03 0.36 3.25 1.02 -0.72 -4.87 119.74 119.73 1d4s s LYS 43 Ca 0.11 -0.72 -0.20 0.00 0.02 0.00 0.00 55.97 55.17 1d4s s LYS 43 Cb -0.10 -2.76 -0.10 0.00 -0.52 0.00 0.00 37.83 34.35 1d4s s LYS 43 CO 0.05 0.53 0.86 -1.25 -0.92 0.00 0.00 175.35 174.63 1d4s s PRO 44 N -2.80 4.23 -0.16 -1.68 0.04 -1.26 0.10 135.00 133.46 1d4s s PRO 44 Ca 0.31 1.00 -0.17 0.00 0.04 0.00 0.00 61.00 62.18 1d4s s PRO 44 Cb -0.11 -2.43 0.05 0.00 0.04 0.00 0.00 34.50 32.04 1d4s s PRO 44 CO 0.24 0.12 0.48 0.21 0.04 0.00 0.00 177.00 178.10 1d4s s LYS 45 N -2.80 0.60 -0.15 4.56 2.20 -1.09 -4.85 119.74 118.21 1d4s s LYS 45 Ca 0.56 0.59 -0.04 0.00 -0.36 0.00 0.00 55.97 56.71 1d4s s LYS 45 Cb -0.12 0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.46 1d4s s LYS 45 CO 0.17 -0.09 -0.02 -1.64 -0.36 0.00 0.00 175.35 173.41 1d4s s MET 46 N 0.05 3.63 -0.03 4.03 -1.94 -1.26 0.17 119.30 123.95 1d4s s MET 46 Ca -0.02 -0.48 0.06 0.00 -1.71 0.00 0.00 55.69 53.55 1d4s s MET 46 Cb -0.03 -2.94 -0.01 0.00 2.01 0.00 0.00 34.83 33.85 1d4s s MET 46 CO 0.01 0.31 -0.22 0.96 -0.01 0.00 0.00 175.02 176.07 1d4s s ILE 47 N 0.19 1.79 -0.12 2.53 -4.36 0.37 -4.93 121.20 116.68 1d4s s ILE 47 Ca -0.01 -0.95 -0.10 0.00 -0.26 0.00 0.00 60.65 59.34 1d4s s ILE 47 Cb -0.13 -1.51 -0.05 0.00 1.25 0.00 0.00 42.46 42.02 1d4s s ILE 47 CO 0.02 0.51 0.21 -0.83 0.24 0.00 0.00 174.94 175.09 1d4s s GLY 48 N -0.32 2.21 0.00 6.27 0.00 -1.26 -0.81 107.32 113.40 1d4s s GLY 48 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1d4s s GLY 48 CO 0.01 -0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.65 1d4s n GLY 49 N 2.40 5.94 0.34 0.20 0.00 0.34 -4.97 105.19 109.43 1d4s n GLY 49 Ca -0.17 -2.08 -0.05 0.00 0.00 0.00 0.00 46.02 43.72 1d4s n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1d4s h ILE 50 N 0.50 1.25 -0.64 -0.61 5.03 -2.03 -3.21 117.51 117.80 1d4s h ILE 50 Ca 0.00 -0.81 -0.22 0.00 -0.12 0.00 0.00 64.86 63.71 1d4s h ILE 50 Cb 0.00 0.36 -0.13 0.00 -3.03 0.00 0.00 36.82 34.02 1d4s h ILE 50 CO 0.00 0.33 0.22 0.61 -0.68 0.00 0.00 178.15 178.63 1d4s n GLY 51 N -0.89 4.05 0.00 5.37 0.00 -1.26 -5.07 105.19 107.39 1d4s n GLY 51 Ca 0.07 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1d4s n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d4s n GLY 52 N -0.52 1.51 3.93 -0.02 0.00 -1.21 -5.09 105.19 103.79 1d4s n GLY 52 Ca 0.39 -2.12 -0.27 0.00 0.00 0.00 0.00 46.02 44.03 1d4s n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d4s s PHE 53 N -1.30 3.48 -0.05 1.61 0.08 -1.26 -0.51 117.98 120.03 1d4s s PHE 53 Ca 0.00 0.39 -0.08 0.00 0.12 0.00 0.00 56.93 57.36 1d4s s PHE 53 Cb 0.00 -1.90 0.02 0.00 -0.57 0.00 0.00 43.02 40.57 1d4s s PHE 53 CO 0.00 0.29 0.20 0.96 -0.10 0.00 0.00 175.22 176.58 1d4s s ILE 54 N -2.00 0.03 0.39 0.64 -4.36 0.01 -4.95 121.20 110.95 1d4s s ILE 54 Ca 0.40 -0.22 -0.18 0.00 -0.26 0.00 0.00 60.65 60.38 1d4s s ILE 54 Cb -0.11 -0.37 -0.10 0.00 1.25 0.00 0.00 42.46 43.14 1d4s s ILE 54 CO 0.30 -0.12 0.85 -0.54 0.24 0.00 0.00 174.94 175.67 1d4s s LYS 55 N -0.41 4.11 0.27 0.37 1.02 -1.26 -0.48 119.74 123.36 1d4s s LYS 55 Ca -0.05 0.90 0.02 0.00 0.02 0.00 0.00 55.97 56.86 1d4s s LYS 55 Cb -0.03 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 1d4s s LYS 55 CO 0.01 0.04 0.24 0.14 -0.92 0.00 0.00 175.35 174.87 1d4s s VAL 56 N -2.11 0.00 -0.33 3.17 -7.23 0.13 -4.62 120.40 109.41 1d4s s VAL 56 Ca 0.58 -1.94 -0.07 0.00 -1.81 0.00 0.00 61.98 58.74 1d4s s VAL 56 Cb -0.10 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.37 1d4s s VAL 56 CO 0.16 0.00 0.11 -0.13 -0.31 0.00 0.00 175.10 174.93 1d4s s ARG 57 N -3.73 2.82 -0.05 4.82 0.52 0.11 -2.69 118.95 120.75 1d4s s ARG 57 Ca 0.38 -1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.25 1d4s s ARG 57 Cb 0.04 -3.46 -0.02 0.00 0.52 0.00 0.00 34.95 32.02 1d4s s ARG 57 CO 0.20 -0.59 1.01 -1.14 0.02 0.00 0.00 175.30 174.81 1d4s s GLN 58 N 1.46 4.47 -0.11 3.54 0.74 0.12 -1.40 119.66 128.48 1d4s s GLN 58 Ca 0.00 1.43 0.02 0.00 0.05 0.00 0.00 55.36 56.86 1d4s s GLN 58 Cb -0.19 -3.50 0.01 0.00 1.10 0.00 0.00 33.01 30.44 1d4s s GLN 58 CO 0.03 -0.21 -0.16 0.71 -0.55 0.00 0.00 175.29 175.11 1d4s s TYR 59 N 1.58 2.04 0.28 1.67 1.51 -0.78 -1.76 117.35 121.91 1d4s s TYR 59 Ca 0.51 -0.98 0.02 0.00 -1.01 0.00 0.00 57.07 55.60 1d4s s TYR 59 Cb -0.20 -1.47 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 1d4s s TYR 59 CO 0.23 -0.50 0.46 -0.51 -1.11 0.00 0.00 175.55 174.11 1d4s s ASP 60 N 1.01 6.32 -1.55 2.29 -0.00 -1.26 -0.01 116.67 123.47 1d4s s ASP 60 Ca -0.06 0.33 -0.11 0.00 -0.00 0.00 0.00 52.55 52.70 1d4s s ASP 60 Cb -0.15 -1.98 0.09 0.00 -0.00 0.00 0.00 42.92 40.88 1d4s s ASP 60 CO -0.02 -0.17 0.76 0.00 -0.00 0.00 0.00 175.17 175.73 1d4s n GLN 61 N -1.43 -4.08 -3.16 8.23 6.02 -1.21 -4.89 117.38 116.86 1d4s n GLN 61 Ca -0.06 0.47 -0.39 0.00 -0.01 0.00 0.00 57.00 57.01 1d4s n GLN 61 Cb 0.56 -5.10 -0.06 0.00 1.02 0.00 0.00 30.24 26.66 1d4s n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1d4s s ILE 62 N -3.48 4.69 -0.26 5.09 -1.09 -0.31 -4.75 121.20 121.10 1d4s s ILE 62 Ca 0.49 1.38 -0.24 0.00 -2.23 0.00 0.00 60.65 60.06 1d4s s ILE 62 Cb -0.26 -3.99 -0.01 0.00 -1.58 0.00 0.00 42.46 36.63 1d4s s ILE 62 CO 0.88 0.50 0.79 -0.22 -1.23 0.00 0.00 174.94 175.66 1d4s s LEU 63 N -0.79 4.08 -0.06 2.97 0.20 -1.26 -2.51 118.68 121.29 1d4s s LEU 63 Ca 0.32 0.92 0.02 0.00 0.69 0.00 0.00 54.13 56.08 1d4s s LEU 63 Cb -0.20 -3.11 0.01 0.00 -0.43 0.00 0.00 46.19 42.46 1d4s s LEU 63 CO 0.21 -0.51 -0.12 -0.51 -0.29 0.00 0.00 176.35 175.13 1d4s s ILE 64 N 2.81 1.11 -0.30 6.68 2.07 -0.53 -4.41 121.20 128.64 1d4s s ILE 64 Ca 0.33 -0.47 -0.10 0.00 -1.41 0.00 0.00 60.65 59.00 1d4s s ILE 64 Cb -0.15 -1.02 -0.02 0.00 0.13 0.00 0.00 42.46 41.40 1d4s s ILE 64 CO 0.08 0.35 0.15 -0.70 -1.91 0.00 0.00 174.94 172.91 1d4s s GLU 65 N 0.64 3.51 -0.27 3.50 2.12 -0.50 -1.35 118.70 126.35 1d4s s GLU 65 Ca -0.14 -0.60 -0.01 0.00 0.36 0.00 0.00 54.97 54.58 1d4s s GLU 65 Cb -0.15 -3.55 0.04 0.00 0.26 0.00 0.00 34.13 30.73 1d4s s GLU 65 CO 0.04 -0.33 -0.05 0.42 -0.54 0.00 0.00 175.26 174.80 1d4s s ILE 66 N 1.64 2.82 -1.56 -3.70 1.09 -0.07 0.55 121.20 121.97 1d4s s ILE 66 Ca 0.05 -1.25 -0.10 0.00 -1.10 0.00 0.00 60.65 58.26 1d4s s ILE 66 Cb -0.16 -2.53 0.08 0.00 -1.06 0.00 0.00 42.46 38.78 1d4s s ILE 66 CO 0.07 0.05 0.63 0.00 -0.10 0.00 0.00 174.94 175.59 1d4s n GLY 68 N -1.70 3.16 3.72 0.00 0.00 -1.26 -5.02 105.19 104.09 1d4s n GLY 68 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1d4s n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1d4s s HIS 69 N -1.80 3.68 -0.16 1.61 4.02 0.17 -5.02 115.29 117.79 1d4s s HIS 69 Ca 0.00 1.52 -0.21 0.00 1.02 0.00 0.00 55.06 57.40 1d4s s HIS 69 Cb 0.00 -2.93 -0.03 0.00 -1.02 0.00 0.00 32.58 28.59 1d4s s HIS 69 CO 0.00 0.13 0.61 0.15 1.02 0.00 0.00 174.74 176.65 1d4s s LYS 70 N 0.50 4.27 0.16 1.40 1.02 -1.26 -0.89 119.74 124.94 1d4s s LYS 70 Ca 0.43 0.62 0.09 0.00 0.02 0.00 0.00 55.97 57.13 1d4s s LYS 70 Cb -0.20 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 1d4s s LYS 70 CO 0.24 -0.11 -0.20 0.00 -0.92 0.00 0.00 175.35 174.36 1d4s s ALA 71 N 1.46 2.11 -0.31 5.17 0.00 -0.46 -4.92 121.76 124.81 1d4s s ALA 71 Ca 0.29 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1d4s s ALA 71 Cb -0.16 -0.23 0.14 0.00 0.00 0.00 0.00 23.12 22.87 1d4s s ALA 71 CO 0.12 0.30 0.31 0.42 0.00 0.00 0.00 175.76 176.90 1d4s s ILE 72 N -1.85 -0.36 0.00 0.00 1.01 -1.26 -1.45 121.20 117.29 1d4s s ILE 72 Ca 0.16 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.15 1d4s s ILE 72 Cb -0.07 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.49 1d4s s ILE 72 CO 0.07 -0.52 0.00 0.61 0.00 0.00 0.00 174.94 175.10 1d4s n GLY 73 N 5.01 3.03 3.75 6.18 0.00 -1.05 -4.76 105.19 117.34 1d4s n GLY 73 Ca 0.02 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 1d4s n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1d4s s THR 74 N -2.77 3.71 -0.10 2.61 2.01 -1.26 -1.16 115.64 118.68 1d4s s THR 74 Ca 0.00 1.59 -0.01 0.00 0.31 0.00 0.00 61.69 63.58 1d4s s THR 74 Cb 0.00 -4.01 0.03 0.00 0.01 0.00 0.00 72.50 68.52 1d4s s THR 74 CO 0.00 0.32 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.50 1d4s s VAL 75 N -0.68 0.89 -0.02 3.82 1.01 0.98 -4.52 120.40 121.88 1d4s s VAL 75 Ca 0.47 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 62.02 1d4s s VAL 75 Cb -0.30 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 1d4s s VAL 75 CO 0.37 0.34 0.67 -0.76 0.00 0.00 0.00 175.10 175.73 1d4s s LEU 76 N 1.75 4.39 -0.19 3.92 1.43 0.77 -1.86 118.68 128.89 1d4s s LEU 76 Ca 0.05 1.23 -0.01 0.00 -1.03 0.00 0.00 54.13 54.37 1d4s s LEU 76 Cb -0.13 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.05 1d4s s LEU 76 CO -0.07 0.00 -0.12 -0.69 0.23 0.00 0.00 176.35 175.70 1d4s s VAL 77 N 0.21 2.81 0.08 -1.59 1.01 -0.49 -0.76 120.40 121.67 1d4s s VAL 77 Ca 0.35 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 1d4s s VAL 77 Cb -0.19 -2.23 0.05 0.00 0.00 0.00 0.00 36.38 34.02 1d4s s VAL 77 CO 0.19 0.49 0.74 0.61 0.00 0.00 0.00 175.10 177.12 1d4s n GLY 78 N 4.47 0.70 3.34 4.51 0.00 -0.93 0.04 105.19 117.32 1d4s n GLY 78 Ca -0.19 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 1d4s n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d4s n PRO 79 N -0.52 2.06 -3.91 1.61 -0.04 -1.26 -3.47 135.00 129.47 1d4s n PRO 79 Ca -0.00 -2.48 -0.34 0.00 -0.04 0.00 0.00 63.50 60.64 1d4s n PRO 79 Cb 0.39 -3.40 -0.05 0.00 -0.04 0.00 0.00 33.50 30.40 1d4s n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1d4s s THR 80 N 6.99 5.42 -0.18 0.52 -1.32 -1.26 -4.98 115.64 120.83 1d4s s THR 80 Ca 0.60 -0.12 0.28 0.00 -1.21 0.00 0.00 61.69 61.23 1d4s s THR 80 Cb 0.06 -3.51 0.29 0.00 -1.51 0.00 0.00 72.50 67.84 1d4s s THR 80 CO 0.09 0.36 1.83 1.55 -2.21 0.00 0.00 174.62 176.24 1d4s h PRO 81 N 3.96 0.00 -1.70 7.08 0.13 -1.97 -3.45 132.00 136.05 1d4s h PRO 81 Ca -0.50 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.67 1d4s h PRO 81 Cb 1.19 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 1d4s h PRO 81 CO 0.68 0.00 0.43 0.12 -0.23 0.00 0.00 178.00 178.99 1d4s s PHE 82 N -3.52 -0.47 0.10 1.56 2.19 -1.26 -5.12 117.98 111.46 1d4s s PHE 82 Ca 0.01 0.83 -0.31 0.00 0.33 0.00 0.00 56.93 57.80 1d4s s PHE 82 Cb 0.09 0.43 -0.10 0.00 -1.31 0.00 0.00 43.02 42.13 1d4s s PHE 82 CO 0.39 -0.41 1.77 -0.80 1.83 0.00 0.00 175.22 178.00 1d4s s ASN 83 N -1.03 6.48 -0.04 6.13 0.01 -1.26 -4.75 114.94 120.48 1d4s s ASN 83 Ca -0.04 2.67 0.05 0.00 -0.71 0.00 0.00 52.86 54.82 1d4s s ASN 83 Cb -0.01 -2.56 -0.00 0.00 0.41 0.00 0.00 41.25 39.08 1d4s s ASN 83 CO 0.04 -0.97 -0.18 -0.69 -1.51 0.00 0.00 177.10 173.79 1d4s s VAL 84 N 2.74 1.50 -0.22 1.60 1.01 0.79 -1.07 120.40 126.75 1d4s s VAL 84 Ca 0.79 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 1d4s s VAL 84 Cb -0.44 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1d4s s VAL 84 CO 0.35 0.43 0.09 -0.63 0.00 0.00 0.00 175.10 175.34 1d4s s ILE 85 N -0.01 4.79 0.37 2.22 -1.09 0.18 -1.81 121.20 125.86 1d4s s ILE 85 Ca -0.03 -0.02 0.06 0.00 -2.23 0.00 0.00 60.65 58.43 1d4s s ILE 85 Cb -0.11 -3.21 0.06 0.00 -1.58 0.00 0.00 42.46 37.61 1d4s s ILE 85 CO 0.02 0.38 0.47 0.61 -1.23 0.00 0.00 174.94 175.20 1d4s n GLY 86 N 4.24 2.10 0.36 6.18 0.00 -1.24 -1.36 105.19 115.47 1d4s n GLY 86 Ca -0.16 -2.20 0.08 0.00 0.00 0.00 0.00 46.02 43.73 1d4s n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1d4s h ARG 87 N 0.00 0.71 -0.99 1.61 3.08 -1.00 -1.34 114.38 116.45 1d4s h ARG 87 Ca -0.18 -0.04 0.20 0.00 0.07 0.00 0.00 59.98 60.02 1d4s h ARG 87 Cb 0.81 -0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.60 1d4s h ARG 87 CO 0.27 0.47 0.62 -2.95 -1.07 0.00 0.00 179.97 177.30 1d4s h ASN 88 N 0.73 0.70 0.19 7.04 -1.07 -1.60 -0.61 115.58 120.96 1d4s h ASN 88 Ca 0.33 0.09 -0.29 0.00 0.07 0.00 0.00 56.30 56.50 1d4s h ASN 88 Cb 0.35 -0.04 -0.05 0.00 -2.07 0.00 0.00 38.32 36.51 1d4s h ASN 88 CO -0.12 0.24 -2.08 0.18 0.07 0.00 0.00 177.43 175.72 1d4s n LEU 89 N -4.72 0.30 -0.22 6.14 4.77 -0.83 -4.01 117.00 118.42 1d4s n LEU 89 Ca 0.23 0.14 -0.07 0.00 -0.03 0.00 0.00 56.01 56.27 1d4s n LEU 89 Cb 0.62 0.32 0.03 0.00 -2.33 0.00 0.00 43.42 42.07 1d4s n LEU 89 CO 0.23 0.38 0.97 -0.07 -1.33 0.00 0.00 177.39 177.57 1d4s h LEU 90 N 0.00 0.89 -1.85 2.23 3.38 -0.73 -1.41 115.31 117.82 1d4s h LEU 90 Ca -0.39 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.45 1d4s h LEU 90 Cb 1.99 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 1d4s h LEU 90 CO 0.04 0.84 0.22 0.71 0.09 0.00 0.00 178.44 180.34 1d4s h THR 91 N 0.89 0.94 -0.30 0.22 1.35 -1.30 -1.22 112.91 113.49 1d4s h THR 91 Ca 0.21 -0.06 -0.15 0.00 -0.55 0.00 0.00 66.41 65.85 1d4s h THR 91 Cb 0.25 0.74 -0.01 0.00 -1.73 0.00 0.00 68.15 67.40 1d4s h THR 91 CO -0.01 0.03 -0.42 1.56 -0.25 0.00 0.00 175.52 176.43 1d4s h GLN 92 N 0.19 0.73 -0.01 4.72 4.20 -1.41 -2.84 115.11 120.69 1d4s h GLN 92 Ca 0.14 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1d4s h GLN 92 Cb 0.33 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1d4s h GLN 92 CO -0.02 1.01 -0.11 0.44 -0.67 0.00 0.00 178.83 179.48 1d4s n ILE 93 N -4.03 0.00 -2.43 2.54 -5.35 -0.68 -4.92 119.36 104.49 1d4s n ILE 93 Ca -0.02 -0.10 -0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1d4s n ILE 93 Cb 0.54 0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 1d4s n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1d4s n GLY 94 N 1.25 0.83 3.69 3.28 0.00 -0.65 -5.03 105.19 108.55 1d4s n GLY 94 Ca 0.16 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1d4s n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d4s s THR 96 N 1.82 1.65 -0.24 0.00 -4.23 -1.26 -4.68 115.64 108.71 1d4s s THR 96 Ca 0.45 -2.15 -0.10 0.00 -1.18 0.00 0.00 61.69 58.71 1d4s s THR 96 Cb -0.18 -2.33 -0.05 0.00 1.34 0.00 0.00 72.50 71.28 1d4s s THR 96 CO 0.18 -0.38 0.15 -0.76 -0.54 0.00 0.00 174.62 173.26 1d4s s LEU 97 N -3.40 4.07 0.05 4.79 1.02 -1.26 -5.09 118.68 118.86 1d4s s LEU 97 Ca 0.28 0.10 0.09 0.00 0.02 0.00 0.00 54.13 54.61 1d4s s LEU 97 Cb 0.02 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 44.11 1d4s s LEU 97 CO 0.10 0.07 -0.24 0.20 0.02 0.00 0.00 176.35 176.50 1d4s s ASN 98 N 1.03 3.37 0.00 2.29 0.01 -1.26 -5.29 114.94 115.10 1d4s s ASN 98 Ca 0.07 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 1d4s s ASN 98 Cb -0.13 -0.38 0.00 0.00 0.41 0.00 0.00 41.25 41.15 1d4s s ASN 98 CO 0.04 0.25 0.00 2.22 -1.51 0.00 0.00 177.10 178.10