#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aid s GLN 2 N 0.00 4.18 -0.27 0.54 0.74 -1.26 -5.09 119.66 118.50 3aid s GLN 2 Ca 0.00 0.07 -0.01 0.00 0.05 0.00 0.00 55.36 55.48 3aid s GLN 2 Cb 0.00 -3.40 0.04 0.00 1.10 0.00 0.00 33.01 30.76 3aid s GLN 2 CO 0.00 0.31 -0.05 0.42 -0.55 0.00 0.00 175.29 175.42 3aid s ILE 3 N 0.26 2.78 0.52 -2.34 1.01 -1.26 -5.12 121.20 117.06 3aid s ILE 3 Ca 0.16 -1.28 -0.05 0.00 0.00 0.00 0.00 60.65 59.48 3aid s ILE 3 Cb -0.13 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 3aid s ILE 3 CO 0.04 0.04 0.82 0.42 0.00 0.00 0.00 174.94 176.26 3aid s THR 4 N 1.25 4.37 -0.89 2.92 -4.23 -1.26 -5.02 115.64 112.78 3aid s THR 4 Ca -0.04 0.08 0.17 0.00 -1.18 0.00 0.00 61.69 60.72 3aid s THR 4 Cb -0.18 -3.68 0.69 0.00 1.34 0.00 0.00 72.50 70.66 3aid s THR 4 CO -0.03 -0.67 1.60 0.18 -0.54 0.00 0.00 174.62 175.16 3aid n LEU 5 N -2.37 4.69 -0.22 4.79 7.99 -1.26 -4.38 117.00 126.24 3aid n LEU 5 Ca 0.02 -2.54 0.06 0.00 -0.01 0.00 0.00 56.01 53.54 3aid n LEU 5 Cb 0.56 -0.57 0.32 0.00 -0.11 0.00 0.00 43.42 43.63 3aid n LEU 5 CO 0.53 0.77 1.23 -0.50 -1.51 0.00 0.00 177.39 177.90 3aid h TRP 6 N 3.69 0.85 -4.93 -1.77 4.06 -2.06 -3.43 115.95 112.36 3aid h TRP 6 Ca 0.00 0.02 -0.48 0.00 2.06 0.00 0.00 58.89 60.49 3aid h TRP 6 Cb 1.48 -0.28 -0.08 0.00 -1.00 0.00 0.00 29.16 29.28 3aid h TRP 6 CO 0.75 0.45 -0.33 0.36 -3.56 0.00 0.00 178.44 176.11 3aid n LYS 7 N -4.48 1.03 -1.77 0.49 -0.00 -1.26 -5.12 118.16 107.05 3aid n LYS 7 Ca 0.12 -2.74 -0.41 0.00 -0.00 0.00 0.00 58.31 55.28 3aid n LYS 7 Cb 0.22 0.64 -0.00 0.00 -0.00 0.00 0.00 35.03 35.89 3aid n LYS 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3aid s ARG 8 N -3.45 4.10 -1.31 -1.58 0.52 -1.26 -4.91 118.95 111.06 3aid s ARG 8 Ca 0.05 2.60 -0.12 0.00 -0.52 0.00 0.00 55.73 57.74 3aid s ARG 8 Cb -0.00 -2.98 0.13 0.00 0.52 0.00 0.00 34.95 32.62 3aid s ARG 8 CO 0.03 -0.59 1.84 -0.35 0.02 0.00 0.00 175.30 176.26 3aid n PRO 9 N 0.97 3.34 -2.63 3.54 -0.04 -1.26 -4.97 135.00 133.94 3aid n PRO 9 Ca 0.03 -3.35 -0.43 0.00 -0.04 0.00 0.00 63.50 59.71 3aid n PRO 9 Cb 0.38 -3.11 -0.02 0.00 -0.04 0.00 0.00 33.50 30.72 3aid n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3aid s LEU 10 N 1.32 4.07 0.41 1.53 2.01 -1.26 -1.16 118.68 125.60 3aid s LEU 10 Ca 0.44 1.35 0.07 0.00 0.01 0.00 0.00 54.13 56.00 3aid s LEU 10 Cb 0.07 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.68 3aid s LEU 10 CO -0.01 -0.72 0.19 0.68 1.01 0.00 0.00 176.35 177.50 3aid s VAL 11 N 3.33 2.36 -0.00 -1.59 -7.23 0.99 -4.91 120.40 113.35 3aid s VAL 11 Ca 0.45 -1.67 -0.21 0.00 -1.81 0.00 0.00 61.98 58.74 3aid s VAL 11 Cb -0.15 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.74 3aid s VAL 11 CO 0.09 -0.01 0.62 -0.89 -0.31 0.00 0.00 175.10 174.59 3aid s THR 12 N -2.58 4.90 0.03 5.32 2.01 -1.26 -0.32 115.64 123.74 3aid s THR 12 Ca 0.41 1.29 0.05 0.00 0.31 0.00 0.00 61.69 63.76 3aid s THR 12 Cb 0.03 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 3aid s THR 12 CO 0.23 0.41 -0.15 0.27 -0.69 0.00 0.00 174.62 174.68 3aid s ILE 13 N -0.13 1.22 -0.16 1.82 -4.36 -0.25 -1.02 121.20 118.32 3aid s ILE 13 Ca 0.32 -1.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.72 3aid s ILE 13 Cb -0.18 -1.09 0.00 0.00 1.25 0.00 0.00 42.46 42.44 3aid s ILE 13 CO 0.18 0.08 -0.16 -0.13 0.24 0.00 0.00 174.94 175.14 3aid s ARG 14 N -1.06 3.16 -0.04 0.37 0.52 0.60 -0.70 118.95 121.79 3aid s ARG 14 Ca 0.03 -0.77 0.03 0.00 -0.52 0.00 0.00 55.73 54.50 3aid s ARG 14 Cb -0.08 -2.61 0.01 0.00 0.52 0.00 0.00 34.95 32.79 3aid s ARG 14 CO 0.01 -0.04 -0.11 0.42 0.02 0.00 0.00 175.30 175.60 3aid s ILE 15 N 0.94 1.01 0.00 1.52 1.09 -0.54 -0.77 121.20 124.45 3aid s ILE 15 Ca -0.03 -0.45 0.00 0.00 -1.10 0.00 0.00 60.65 59.07 3aid s ILE 15 Cb -0.15 -0.91 0.00 0.00 -1.06 0.00 0.00 42.46 40.34 3aid s ILE 15 CO -0.03 0.31 0.00 0.61 -0.10 0.00 0.00 174.94 175.74 3aid n GLY 16 N 3.51 1.04 1.45 6.18 0.00 -1.26 0.24 105.19 116.35 3aid n GLY 16 Ca -0.20 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.21 3aid n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3aid n GLY 17 N 0.00 4.12 3.79 -0.02 0.00 -1.26 -5.04 105.19 106.78 3aid n GLY 17 Ca 0.00 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 3aid n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3aid s GLN 18 N -3.02 4.24 -0.28 1.61 -1.52 0.14 -5.07 119.66 115.76 3aid s GLN 18 Ca 0.49 0.70 -0.15 0.00 -1.95 0.00 0.00 55.36 54.45 3aid s GLN 18 Cb 0.40 -3.29 -0.03 0.00 -0.22 0.00 0.00 33.01 29.87 3aid s GLN 18 CO 0.09 0.50 0.38 -1.17 -0.25 0.00 0.00 175.29 174.84 3aid s LEU 19 N -0.63 4.09 0.17 2.90 0.20 -1.26 -1.46 118.68 122.69 3aid s LEU 19 Ca 0.29 0.23 0.09 0.00 0.69 0.00 0.00 54.13 55.43 3aid s LEU 19 Cb -0.19 -2.43 -0.04 0.00 -0.43 0.00 0.00 46.19 43.10 3aid s LEU 19 CO 0.17 -0.21 -0.19 -0.54 -0.29 0.00 0.00 176.35 175.29 3aid s LYS 20 N 2.08 1.32 -0.03 1.98 -0.14 0.13 -5.04 119.74 120.03 3aid s LYS 20 Ca 0.15 -1.43 -0.03 0.00 -1.36 0.00 0.00 55.97 53.30 3aid s LYS 20 Cb -0.16 -1.40 -0.04 0.00 -1.68 0.00 0.00 37.83 34.55 3aid s LYS 20 CO 0.10 0.28 0.13 -1.83 -0.76 0.00 0.00 175.35 173.28 3aid s GLU 21 N -2.82 3.31 0.04 1.68 -1.05 -1.26 -1.09 118.70 117.51 3aid s GLU 21 Ca 0.17 -0.33 -0.12 0.00 -0.15 0.00 0.00 54.97 54.54 3aid s GLU 21 Cb -0.06 -3.03 0.01 0.00 -0.44 0.00 0.00 34.13 30.61 3aid s GLU 21 CO 0.07 0.69 0.25 0.00 0.95 0.00 0.00 175.26 177.23 3aid s ALA 22 N -1.20 -0.54 -0.17 -0.84 0.00 0.57 -4.55 121.76 115.02 3aid s ALA 22 Ca 0.23 -0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.83 3aid s ALA 22 Cb -0.12 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 3aid s ALA 22 CO 0.13 -0.39 0.78 -0.51 0.00 0.00 0.00 175.76 175.78 3aid s LEU 23 N -2.06 4.17 -0.49 0.00 1.43 0.33 -0.01 118.68 122.06 3aid s LEU 23 Ca -0.05 1.09 -0.27 0.00 -1.03 0.00 0.00 54.13 53.87 3aid s LEU 23 Cb -0.01 -3.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.04 3aid s LEU 23 CO -0.03 -0.36 1.83 -0.76 0.23 0.00 0.00 176.35 177.26 3aid s LEU 24 N 2.03 3.39 -0.38 1.79 1.02 -0.31 -1.40 118.68 124.82 3aid s LEU 24 Ca 0.36 0.75 0.03 0.00 0.02 0.00 0.00 54.13 55.29 3aid s LEU 24 Cb -0.16 -2.96 0.11 0.00 0.02 0.00 0.00 46.19 43.20 3aid s LEU 24 CO 0.12 -2.09 0.11 -0.62 0.02 0.00 0.00 176.35 173.90 3aid s ASP 25 N 7.24 4.78 0.35 2.29 2.15 -0.63 -4.84 116.67 128.01 3aid s ASP 25 Ca 0.73 -2.29 0.26 0.00 0.43 0.00 0.00 52.55 51.67 3aid s ASP 25 Cb -0.16 -1.67 1.19 0.00 -0.30 0.00 0.00 42.92 41.98 3aid s ASP 25 CO 0.26 -0.38 1.78 0.71 -0.17 0.00 0.00 175.17 177.38 3aid h THR 26 N 6.37 0.00 0.00 1.71 1.35 -1.94 -1.47 112.91 118.93 3aid h THR 26 Ca -0.06 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3aid h THR 26 Cb 1.00 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3aid h THR 26 CO 0.58 0.00 0.00 1.23 -0.25 0.00 0.00 175.52 177.08 3aid h GLY 27 N 1.52 0.00 -5.81 5.82 0.00 -1.95 -3.45 103.07 99.20 3aid h GLY 27 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 3aid h GLY 27 CO 0.00 0.00 0.03 0.00 0.00 0.00 0.00 176.54 176.57 3aid s ALA 28 N -3.33 3.50 0.24 3.60 0.00 -0.55 -4.95 121.76 120.27 3aid s ALA 28 Ca 0.06 -0.23 -0.05 0.00 0.00 0.00 0.00 51.96 51.74 3aid s ALA 28 Cb 0.08 -2.87 0.26 0.00 0.00 0.00 0.00 23.12 20.59 3aid s ALA 28 CO 0.58 -0.36 1.81 -0.44 0.00 0.00 0.00 175.76 177.36 3aid h ASP 29 N 7.22 1.00 -3.36 0.00 3.32 -1.87 0.26 116.42 123.00 3aid h ASP 29 Ca -0.35 -0.15 -0.43 0.00 0.02 0.00 0.00 57.03 56.12 3aid h ASP 29 Cb 1.16 -0.26 -0.14 0.00 0.22 0.00 0.00 39.33 40.31 3aid h ASP 29 CO 0.76 0.89 -0.69 -1.81 -1.72 0.00 0.00 179.24 176.67 3aid s ASP 30 N -6.41 2.37 -0.27 6.45 1.01 -1.26 -3.13 116.67 115.42 3aid s ASP 30 Ca -0.12 -1.13 -0.14 0.00 0.71 0.00 0.00 52.55 51.87 3aid s ASP 30 Cb 0.16 -0.10 -0.04 0.00 1.01 0.00 0.00 42.92 43.95 3aid s ASP 30 CO 0.82 -0.34 0.34 -0.89 0.21 0.00 0.00 175.17 175.32 3aid s THR 31 N -3.14 5.20 -0.22 -1.27 2.01 -1.26 -3.38 115.64 113.57 3aid s THR 31 Ca 0.26 0.48 0.02 0.00 0.31 0.00 0.00 61.69 62.75 3aid s THR 31 Cb 0.03 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.90 3aid s THR 31 CO 0.08 0.16 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.34 3aid s VAL 32 N 2.01 2.19 0.23 3.82 1.01 0.24 -0.84 120.40 129.07 3aid s VAL 32 Ca 0.13 -1.28 0.09 0.00 0.00 0.00 0.00 61.98 60.93 3aid s VAL 32 Cb -0.16 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3aid s VAL 32 CO 0.10 0.24 -0.04 -0.76 0.00 0.00 0.00 175.10 174.64 3aid s LEU 33 N 1.20 3.10 0.82 3.92 1.02 0.08 -0.62 118.68 128.21 3aid s LEU 33 Ca -0.02 -0.63 -0.11 0.00 0.02 0.00 0.00 54.13 53.39 3aid s LEU 33 Cb -0.17 -1.68 0.09 0.00 0.02 0.00 0.00 46.19 44.45 3aid s LEU 33 CO -0.08 0.04 1.10 -1.83 0.02 0.00 0.00 176.35 175.60 3aid s GLU 34 N -3.36 1.85 -0.34 1.70 -1.05 -1.26 -2.91 118.70 113.33 3aid s GLU 34 Ca 0.29 1.22 -0.40 0.00 -0.15 0.00 0.00 54.97 55.93 3aid s GLU 34 Cb -0.07 -1.85 -0.15 0.00 -0.44 0.00 0.00 34.13 31.62 3aid s GLU 34 CO 0.18 -1.94 1.91 -1.91 0.95 0.00 0.00 175.26 174.45 3aid n GLU 35 N -3.73 0.90 -3.66 -4.83 4.07 -1.23 -4.62 120.64 107.54 3aid n GLU 35 Ca 0.09 0.30 -0.11 0.00 -0.06 0.00 0.00 57.16 57.38 3aid n GLU 35 Cb 0.53 -2.07 -0.06 0.00 -0.06 0.00 0.00 31.44 29.78 3aid n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3aid s MET 36 N 4.56 0.98 -0.15 5.31 0.23 -1.26 -5.05 119.30 123.92 3aid s MET 36 Ca 1.05 -0.56 -0.14 0.00 -1.03 0.00 0.00 55.69 55.01 3aid s MET 36 Cb -1.10 0.43 -0.05 0.00 -1.53 0.00 0.00 34.83 32.58 3aid s MET 36 CO 0.63 -0.36 0.31 1.21 -2.03 0.00 0.00 175.02 174.77 3aid s ASN 37 N -2.42 6.46 0.07 -1.18 3.84 -1.26 -5.06 114.94 115.39 3aid s ASN 37 Ca -0.01 0.54 0.08 0.00 0.21 0.00 0.00 52.86 53.68 3aid s ASN 37 Cb 0.01 -2.19 -0.03 0.00 -0.55 0.00 0.00 41.25 38.49 3aid s ASN 37 CO -0.07 0.11 -0.20 -0.76 -2.79 0.00 0.00 177.10 173.38 3aid s LEU 38 N 0.38 2.23 0.10 3.21 1.02 -1.26 -5.09 118.68 119.27 3aid s LEU 38 Ca 0.17 -0.59 -0.31 0.00 0.02 0.00 0.00 54.13 53.42 3aid s LEU 38 Cb -0.13 -0.91 -0.10 0.00 0.02 0.00 0.00 46.19 45.07 3aid s LEU 38 CO 0.05 0.10 1.79 -2.16 0.02 0.00 0.00 176.35 176.15 3aid s PRO 39 N -1.51 4.15 0.00 1.29 0.04 -1.26 -4.90 135.00 132.81 3aid s PRO 39 Ca 0.07 2.52 0.00 0.00 0.04 0.00 0.00 61.00 63.63 3aid s PRO 39 Cb -0.09 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.81 3aid s PRO 39 CO 0.03 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.66 3aid n GLY 40 N 4.19 0.73 3.84 0.56 0.00 -1.26 -5.04 105.19 108.21 3aid n GLY 40 Ca 0.17 -2.16 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 3aid n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aid s LYS 41 N -0.91 4.05 0.07 1.61 1.02 -1.26 -5.10 119.74 119.21 3aid s LYS 41 Ca 0.00 0.60 -0.00 0.00 0.02 0.00 0.00 55.97 56.59 3aid s LYS 41 Cb 0.00 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 3aid s LYS 41 CO 0.00 0.44 -0.04 1.67 -0.92 0.00 0.00 175.35 176.50 3aid s TRP 42 N -1.50 0.64 0.16 3.18 1.48 -1.26 -4.58 118.94 117.05 3aid s TRP 42 Ca 0.40 -1.00 0.10 0.00 -1.06 0.00 0.00 56.10 54.54 3aid s TRP 42 Cb -0.15 -0.43 -0.04 0.00 -1.16 0.00 0.00 33.47 31.69 3aid s TRP 42 CO 0.20 -0.29 -0.23 0.15 -4.06 0.00 0.00 176.95 172.71 3aid s LYS 43 N -3.81 1.39 0.66 3.25 1.02 -1.14 -4.92 119.74 116.20 3aid s LYS 43 Ca 0.08 -1.41 -0.11 0.00 0.02 0.00 0.00 55.97 54.55 3aid s LYS 43 Cb 0.06 -1.71 -0.01 0.00 -0.52 0.00 0.00 37.83 35.65 3aid s LYS 43 CO -0.08 0.38 1.05 -1.25 -0.92 0.00 0.00 175.35 174.54 3aid s PRO 44 N -2.43 3.23 -0.07 -1.68 0.04 -1.26 0.18 135.00 133.02 3aid s PRO 44 Ca 0.16 0.72 -0.16 0.00 0.04 0.00 0.00 61.00 61.76 3aid s PRO 44 Cb -0.08 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.45 3aid s PRO 44 CO 0.08 -0.82 0.38 0.21 0.04 0.00 0.00 177.00 176.88 3aid s LYS 45 N -5.19 0.63 -0.33 4.56 2.20 -0.66 -4.87 119.74 116.08 3aid s LYS 45 Ca 0.57 0.15 -0.15 0.00 -0.36 0.00 0.00 55.97 56.18 3aid s LYS 45 Cb -0.12 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.47 3aid s LYS 45 CO 0.54 -0.15 0.35 -1.64 -0.36 0.00 0.00 175.35 174.09 3aid s MET 46 N -0.70 3.66 -0.03 4.03 -1.94 -1.26 -2.44 119.30 120.62 3aid s MET 46 Ca -0.08 -0.34 0.05 0.00 -1.71 0.00 0.00 55.69 53.61 3aid s MET 46 Cb -0.04 -3.77 -0.03 0.00 2.01 0.00 0.00 34.83 33.01 3aid s MET 46 CO 0.03 -0.46 -0.17 0.96 -0.01 0.00 0.00 175.02 175.37 3aid s ILE 47 N 2.01 2.80 0.26 2.53 -4.36 -0.81 -4.99 121.20 118.64 3aid s ILE 47 Ca 0.12 -0.87 0.07 0.00 -0.26 0.00 0.00 60.65 59.71 3aid s ILE 47 Cb -0.16 -2.08 -0.06 0.00 1.25 0.00 0.00 42.46 41.41 3aid s ILE 47 CO 0.11 0.56 -0.07 -0.83 0.24 0.00 0.00 174.94 174.95 3aid s GLY 48 N -0.80 1.75 0.00 6.27 0.00 -1.26 -1.00 107.32 112.28 3aid s GLY 48 Ca 0.12 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 42.98 3aid s GLY 48 CO 0.01 -1.82 0.00 0.61 0.00 0.00 0.00 173.10 171.90 3aid n GLY 49 N -0.54 1.22 3.68 0.20 0.00 0.98 -4.96 105.19 105.77 3aid n GLY 49 Ca -0.06 -0.14 -0.54 0.00 0.00 0.00 0.00 46.02 45.28 3aid n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3aid n ILE 50 N 0.00 0.27 0.00 -0.61 2.08 -1.26 -0.97 119.36 118.87 3aid n ILE 50 Ca 0.00 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.26 3aid n ILE 50 Cb 0.00 -1.27 0.00 0.00 -0.75 0.00 0.00 39.64 37.62 3aid n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3aid n GLY 51 N 3.83 3.16 0.00 7.39 0.00 -1.26 -4.90 105.19 113.42 3aid n GLY 51 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3aid n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3aid n GLY 52 N -1.04 0.66 3.79 -0.02 0.00 -0.14 -5.11 105.19 103.33 3aid n GLY 52 Ca 0.00 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 3aid n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3aid s PHE 53 N -1.68 3.43 0.23 1.61 0.40 -1.26 -0.01 117.98 120.69 3aid s PHE 53 Ca 0.00 0.38 0.09 0.00 -0.60 0.00 0.00 56.93 56.80 3aid s PHE 53 Cb 0.00 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.57 3aid s PHE 53 CO 0.00 0.58 -0.06 0.96 0.70 0.00 0.00 175.22 177.41 3aid s ILE 54 N -0.79 3.29 -0.05 0.64 -4.36 -0.17 -5.00 121.20 114.77 3aid s ILE 54 Ca 0.13 -1.82 -0.10 0.00 -0.26 0.00 0.00 60.65 58.60 3aid s ILE 54 Cb -0.12 -2.70 -0.05 0.00 1.25 0.00 0.00 42.46 40.84 3aid s ILE 54 CO 0.03 -0.25 0.28 -0.75 0.24 0.00 0.00 174.94 174.48 3aid s LYS 55 N -3.28 3.66 0.07 0.37 2.20 -1.26 -1.93 119.74 119.57 3aid s LYS 55 Ca 0.28 0.11 0.01 0.00 -0.36 0.00 0.00 55.97 56.01 3aid s LYS 55 Cb -0.07 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 3aid s LYS 55 CO 0.18 0.72 -0.06 0.08 -0.36 0.00 0.00 175.35 175.91 3aid s VAL 56 N -1.10 0.51 -0.14 4.02 1.01 -1.02 -4.27 120.40 119.41 3aid s VAL 56 Ca 0.21 -1.66 0.02 0.00 0.00 0.00 0.00 61.98 60.55 3aid s VAL 56 Cb -0.14 -1.33 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 3aid s VAL 56 CO 0.10 -0.78 -0.19 -0.13 0.00 0.00 0.00 175.10 174.10 3aid s ARG 57 N -3.23 3.15 -0.33 2.72 0.52 0.90 -1.65 118.95 121.03 3aid s ARG 57 Ca 0.04 -0.80 -0.23 0.00 -0.52 0.00 0.00 55.73 54.23 3aid s ARG 57 Cb 0.02 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.98 3aid s ARG 57 CO -0.05 0.07 0.75 -1.14 0.02 0.00 0.00 175.30 174.95 3aid s GLN 58 N 0.65 3.87 -0.11 3.54 0.74 0.13 -0.80 119.66 127.67 3aid s GLN 58 Ca -0.10 0.42 -0.03 0.00 0.05 0.00 0.00 55.36 55.71 3aid s GLN 58 Cb -0.16 -3.76 -0.03 0.00 1.10 0.00 0.00 33.01 30.16 3aid s GLN 58 CO 0.02 -0.72 0.00 0.71 -0.55 0.00 0.00 175.29 174.76 3aid s TYR 59 N 2.93 3.16 0.16 1.67 1.51 -0.42 -2.89 117.35 123.46 3aid s TYR 59 Ca 0.30 0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.50 3aid s TYR 59 Cb -0.14 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 3aid s TYR 59 CO 0.14 0.36 0.26 -0.51 -1.11 0.00 0.00 175.55 174.69 3aid s ASP 60 N -0.54 6.19 -1.75 2.29 1.01 -1.26 -1.69 116.67 120.91 3aid s ASP 60 Ca 0.09 0.11 0.00 0.00 0.71 0.00 0.00 52.55 53.46 3aid s ASP 60 Cb -0.12 -1.82 0.00 0.00 1.01 0.00 0.00 42.92 41.99 3aid s ASP 60 CO 0.02 0.05 0.00 0.00 0.21 0.00 0.00 175.17 175.45 3aid n GLN 61 N -0.56 -1.15 -2.28 8.23 1.13 -1.23 -4.91 117.38 116.61 3aid n GLN 61 Ca -0.07 1.08 -0.42 0.00 -1.94 0.00 0.00 57.00 55.65 3aid n GLN 61 Cb 0.54 -5.28 -0.03 0.00 0.11 0.00 0.00 30.24 25.58 3aid n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3aid s ILE 62 N -2.62 3.75 0.07 5.09 -1.09 -0.37 -4.70 121.20 121.34 3aid s ILE 62 Ca 0.00 1.19 -0.28 0.00 -2.23 0.00 0.00 60.65 59.33 3aid s ILE 62 Cb 0.00 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 37.06 3aid s ILE 62 CO 0.00 0.04 0.89 -2.84 -1.23 0.00 0.00 174.94 171.79 3aid s PRO 63 N 1.84 4.60 -0.00 2.79 0.02 -1.26 -0.09 135.00 142.90 3aid s PRO 63 Ca 0.62 1.30 0.02 0.00 0.02 0.00 0.00 61.00 62.96 3aid s PRO 63 Cb -0.31 -3.39 -0.01 0.00 0.02 0.00 0.00 34.50 30.81 3aid s PRO 63 CO 0.27 0.19 -0.07 0.54 -0.33 0.00 0.00 177.00 177.61 3aid s VAL 64 N 0.15 0.53 -0.25 3.83 0.11 -0.05 -4.57 120.40 120.15 3aid s VAL 64 Ca 0.44 -0.29 -0.06 0.00 -2.93 0.00 0.00 61.98 59.14 3aid s VAL 64 Cb -0.22 -0.45 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 3aid s VAL 64 CO 0.27 0.14 0.04 -0.70 -3.33 0.00 0.00 175.10 171.52 3aid s GLU 65 N -0.17 3.50 -0.22 1.54 2.12 0.05 -0.98 118.70 124.54 3aid s GLU 65 Ca 0.02 -0.57 0.01 0.00 0.36 0.00 0.00 54.97 54.80 3aid s GLU 65 Cb -0.03 -3.25 0.03 0.00 0.26 0.00 0.00 34.13 31.15 3aid s GLU 65 CO -0.00 -0.23 -0.15 -1.50 -0.54 0.00 0.00 175.26 172.84 3aid s ILE 66 N 1.56 2.22 -1.63 -3.70 2.07 -0.08 -0.30 121.20 121.35 3aid s ILE 66 Ca 0.06 -1.19 -0.14 0.00 -1.41 0.00 0.00 60.65 57.96 3aid s ILE 66 Cb -0.15 -2.09 0.12 0.00 0.13 0.00 0.00 42.46 40.47 3aid s ILE 66 CO 0.02 0.29 0.73 0.00 -1.91 0.00 0.00 174.94 174.07 3aid n GLY 68 N -1.55 1.19 3.41 0.00 0.00 -1.26 -5.05 105.19 101.92 3aid n GLY 68 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3aid n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3aid s HIS 69 N -2.81 2.69 -0.08 1.61 3.76 0.26 -5.08 115.29 115.62 3aid s HIS 69 Ca 0.00 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.23 3aid s HIS 69 Cb 0.00 -1.68 -0.04 0.00 1.11 0.00 0.00 32.58 31.96 3aid s HIS 69 CO 0.00 0.01 1.56 0.15 -0.85 0.00 0.00 174.74 175.61 3aid s LYS 70 N -0.33 4.18 0.37 1.40 -0.14 -1.26 -0.90 119.74 123.06 3aid s LYS 70 Ca 0.03 2.05 0.09 0.00 -1.36 0.00 0.00 55.97 56.77 3aid s LYS 70 Cb -0.13 -3.94 -0.07 0.00 -1.68 0.00 0.00 37.83 32.02 3aid s LYS 70 CO 0.02 -0.83 -0.05 0.00 -0.76 0.00 0.00 175.35 173.74 3aid s ALA 71 N 3.95 3.06 -0.07 5.17 0.00 -0.15 -4.82 121.76 128.91 3aid s ALA 71 Ca 0.69 -2.16 -0.03 0.00 0.00 0.00 0.00 51.96 50.46 3aid s ALA 71 Cb -0.30 0.00 0.04 0.00 0.00 0.00 0.00 23.12 22.86 3aid s ALA 71 CO 0.26 0.00 0.13 0.42 0.00 0.00 0.00 175.76 176.58 3aid s ILE 72 N -2.64 -0.18 -1.03 0.00 1.01 -1.26 -0.87 121.20 116.23 3aid s ILE 72 Ca 0.34 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.30 3aid s ILE 72 Cb 0.05 -0.25 0.00 0.00 0.01 0.00 0.00 42.46 42.27 3aid s ILE 72 CO 0.17 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.85 3aid n GLY 73 N 4.98 -0.78 3.64 6.18 0.00 0.87 -4.90 105.19 115.18 3aid n GLY 73 Ca -0.11 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 3aid n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3aid s THR 74 N -4.00 4.49 -0.00 2.61 2.01 -1.26 -1.24 115.64 118.25 3aid s THR 74 Ca 0.00 1.73 0.01 0.00 0.31 0.00 0.00 61.69 63.74 3aid s THR 74 Cb 0.00 -4.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 3aid s THR 74 CO 0.00 -0.42 0.03 0.68 -0.69 0.00 0.00 174.62 174.23 3aid s VAL 75 N 3.65 4.40 -0.23 3.82 -7.23 -0.68 -4.45 120.40 119.67 3aid s VAL 75 Ca 0.47 -0.52 -0.08 0.00 -1.81 0.00 0.00 61.98 60.04 3aid s VAL 75 Cb -0.13 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 3aid s VAL 75 CO 0.15 0.37 0.09 -0.76 -0.31 0.00 0.00 175.10 174.63 3aid s LEU 76 N -1.63 3.64 0.04 1.32 1.02 -0.02 -1.30 118.68 121.75 3aid s LEU 76 Ca 0.21 -0.09 0.04 0.00 0.02 0.00 0.00 54.13 54.30 3aid s LEU 76 Cb -0.12 -1.96 -0.04 0.00 0.02 0.00 0.00 46.19 44.09 3aid s LEU 76 CO 0.12 0.03 -0.04 0.68 0.02 0.00 0.00 176.35 177.16 3aid s VAL 77 N 1.25 3.84 0.00 -1.59 -7.23 0.02 -0.74 120.40 115.95 3aid s VAL 77 Ca 0.05 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 3aid s VAL 77 Cb -0.14 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.06 3aid s VAL 77 CO 0.04 0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 3aid n GLY 78 N 1.16 -0.92 2.68 2.32 0.00 -1.14 -0.07 105.19 109.21 3aid n GLY 78 Ca -0.14 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 3aid n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3aid n PRO 79 N -0.60 3.17 -3.52 1.61 -0.04 -1.26 -3.49 135.00 130.88 3aid n PRO 79 Ca 0.00 -2.72 -0.37 0.00 -0.04 0.00 0.00 63.50 60.37 3aid n PRO 79 Cb 0.00 -3.13 -0.06 0.00 -0.04 0.00 0.00 33.50 30.27 3aid n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3aid s THR 80 N 2.44 5.04 -1.02 0.52 -1.32 -1.26 -4.95 115.64 115.09 3aid s THR 80 Ca 0.50 0.77 0.13 0.00 -1.21 0.00 0.00 61.69 61.87 3aid s THR 80 Cb 0.14 -3.70 0.11 0.00 -1.51 0.00 0.00 72.50 67.55 3aid s THR 80 CO -0.07 0.53 1.42 -0.81 -2.21 0.00 0.00 174.62 173.47 3aid n PRO 81 N 1.66 0.01 -3.83 7.08 -0.04 -1.26 -4.72 135.00 133.89 3aid n PRO 81 Ca -0.13 0.27 -0.12 0.00 -0.04 0.00 0.00 63.50 63.48 3aid n PRO 81 Cb 0.52 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 3aid n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3aid s VAL 82 N -2.98 0.01 -0.27 0.52 0.11 -1.26 -5.10 120.40 111.41 3aid s VAL 82 Ca 0.07 -0.05 -0.27 0.00 -2.93 0.00 0.00 61.98 58.80 3aid s VAL 82 Cb 0.09 -0.22 0.01 0.00 -1.53 0.00 0.00 36.38 34.73 3aid s VAL 82 CO 0.24 -0.03 0.96 0.20 -3.33 0.00 0.00 175.10 173.14 3aid s ASN 83 N -0.02 6.91 -0.16 3.54 0.01 -1.26 -4.70 114.94 119.25 3aid s ASN 83 Ca -0.01 1.08 -0.00 0.00 -0.71 0.00 0.00 52.86 53.22 3aid s ASN 83 Cb -0.01 -2.50 -0.00 0.00 0.41 0.00 0.00 41.25 39.15 3aid s ASN 83 CO 0.00 -0.69 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.13 3aid s ILE 84 N 3.22 2.72 -0.44 0.60 1.01 0.21 -0.51 121.20 128.01 3aid s ILE 84 Ca 0.40 -0.75 -0.23 0.00 0.00 0.00 0.00 60.65 60.07 3aid s ILE 84 Cb -0.14 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.20 3aid s ILE 84 CO 0.10 0.51 0.81 -0.63 0.00 0.00 0.00 174.94 175.73 3aid s ILE 85 N 0.88 4.63 0.73 2.92 -1.09 -0.50 -0.59 121.20 128.18 3aid s ILE 85 Ca -0.04 0.54 -0.05 0.00 -2.23 0.00 0.00 60.65 58.88 3aid s ILE 85 Cb -0.15 -4.33 0.10 0.00 -1.58 0.00 0.00 42.46 36.51 3aid s ILE 85 CO -0.01 -0.70 1.02 -0.83 -1.23 0.00 0.00 174.94 173.19 3aid s GLY 86 N 2.12 1.75 0.58 6.18 0.00 -1.22 -1.60 107.32 115.14 3aid s GLY 86 Ca 0.31 -1.33 0.29 0.00 0.00 0.00 0.00 44.72 44.00 3aid s GLY 86 CO 0.23 -0.82 1.88 3.21 0.00 0.00 0.00 173.10 177.59 3aid h ARG 87 N -0.63 0.00 -0.10 2.90 3.08 -0.56 -1.79 114.38 117.27 3aid h ARG 87 Ca -0.41 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.63 3aid h ARG 87 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 3aid h ARG 87 CO 0.48 0.00 0.02 -2.95 -1.07 0.00 0.00 179.97 176.45 3aid h ASN 88 N 0.00 0.12 0.03 7.04 -1.07 -1.80 -2.77 115.58 117.13 3aid h ASN 88 Ca 0.25 -0.01 -0.38 0.00 0.07 0.00 0.00 56.30 56.23 3aid h ASN 88 Cb 1.30 -0.03 -0.05 0.00 -2.07 0.00 0.00 38.32 37.47 3aid h ASN 88 CO -0.00 0.13 -2.26 0.18 0.07 0.00 0.00 177.43 175.55 3aid n LEU 89 N -4.47 2.63 -0.31 6.14 4.32 -0.89 -4.48 117.00 119.94 3aid n LEU 89 Ca -0.01 0.08 0.22 0.00 -0.02 0.00 0.00 56.01 56.28 3aid n LEU 89 Cb 0.12 -0.96 0.51 0.00 -1.62 0.00 0.00 43.42 41.47 3aid n LEU 89 CO 0.35 0.80 1.22 -0.07 -1.22 0.00 0.00 177.39 178.48 3aid h LEU 90 N -0.23 0.43 -1.00 2.23 4.07 -1.36 0.67 115.31 120.12 3aid h LEU 90 Ca -0.54 0.07 -0.10 0.00 0.08 0.00 0.00 57.88 57.39 3aid h LEU 90 Cb 1.84 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.57 3aid h LEU 90 CO -0.11 0.10 -0.45 0.71 -1.08 0.00 0.00 178.44 177.61 3aid h THR 91 N 0.39 1.33 0.00 0.22 1.35 -1.72 -2.45 112.91 112.03 3aid h THR 91 Ca 0.57 -1.59 -0.04 0.00 -0.55 0.00 0.00 66.41 64.81 3aid h THR 91 Cb 1.46 1.80 -0.01 0.00 -1.73 0.00 0.00 68.15 69.68 3aid h THR 91 CO -0.27 0.46 -0.17 1.56 -0.25 0.00 0.00 175.52 176.85 3aid h GLN 92 N 0.09 0.00 -0.24 4.72 4.20 -1.08 -2.97 115.11 119.82 3aid h GLN 92 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3aid h GLN 92 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3aid h GLN 92 CO 0.06 0.17 0.00 0.44 -0.67 0.00 0.00 178.83 178.84 3aid n ILE 93 N -3.94 0.31 -0.64 2.54 -5.35 -1.18 -4.94 119.36 106.16 3aid n ILE 93 Ca -0.02 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 3aid n ILE 93 Cb 0.26 0.68 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 3aid n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3aid n GLY 94 N 1.30 0.72 3.72 3.28 0.00 -1.12 -5.04 105.19 108.04 3aid n GLY 94 Ca 0.17 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 3aid n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aid s THR 96 N 0.78 1.25 -0.18 0.00 -1.32 -1.26 -4.78 115.64 110.14 3aid s THR 96 Ca 0.46 -1.34 -0.07 0.00 -1.21 0.00 0.00 61.69 59.52 3aid s THR 96 Cb -0.20 -1.18 -0.04 0.00 -1.51 0.00 0.00 72.50 69.57 3aid s THR 96 CO 0.24 -0.17 0.06 -0.22 -2.21 0.00 0.00 174.62 172.33 3aid s LEU 97 N -1.73 3.83 0.16 9.08 2.96 -1.26 -5.10 118.68 126.62 3aid s LEU 97 Ca 0.00 0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 3aid s LEU 97 Cb -0.10 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 3aid s LEU 97 CO 0.03 0.19 -0.02 0.20 -1.32 0.00 0.00 176.35 175.42 3aid s ASN 98 N 0.30 1.30 0.00 3.68 -0.87 -1.26 -5.31 114.94 112.78 3aid s ASN 98 Ca 0.04 -1.13 0.00 0.00 -1.57 0.00 0.00 52.86 50.19 3aid s ASN 98 Cb -0.12 0.10 0.00 0.00 -0.02 0.00 0.00 41.25 41.20 3aid s ASN 98 CO 0.00 -0.53 0.00 2.22 -2.57 0.00 0.00 177.10 176.23