#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aid s GLN 2 N 0.00 2.89 -0.12 0.54 0.74 -1.26 -5.11 119.66 117.34 1aid s GLN 2 Ca 0.00 -0.91 -0.02 0.00 0.05 0.00 0.00 55.36 54.49 1aid s GLN 2 Cb 0.00 -2.67 -0.03 0.00 1.10 0.00 0.00 33.01 31.42 1aid s GLN 2 CO 0.00 -0.28 -0.06 0.42 -0.55 0.00 0.00 175.29 174.82 1aid s ILE 3 N 1.27 3.71 0.57 -2.34 1.01 -1.26 -5.12 121.20 119.05 1aid s ILE 3 Ca 0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 1aid s ILE 3 Cb -0.14 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 39.78 1aid s ILE 3 CO -0.11 0.53 0.81 0.42 0.00 0.00 0.00 174.94 176.60 1aid s THR 4 N -0.01 2.77 -0.17 2.92 -4.23 -1.26 -5.04 115.64 110.62 1aid s THR 4 Ca -0.00 -0.54 0.17 0.00 -1.18 0.00 0.00 61.69 60.13 1aid s THR 4 Cb -0.13 -3.07 0.43 0.00 1.34 0.00 0.00 72.50 71.07 1aid s THR 4 CO 0.03 -0.05 1.32 0.18 -0.54 0.00 0.00 174.62 175.55 1aid n LEU 5 N -2.43 3.28 -0.04 4.79 4.77 -1.26 -4.60 117.00 121.51 1aid n LEU 5 Ca 0.07 -3.15 -0.02 0.00 -0.03 0.00 0.00 56.01 52.88 1aid n LEU 5 Cb 0.60 -0.51 0.24 0.00 -2.33 0.00 0.00 43.42 41.41 1aid n LEU 5 CO 0.47 0.77 0.90 -0.50 -1.33 0.00 0.00 177.39 177.70 1aid h TRP 6 N 1.01 0.64 -1.95 -1.77 4.06 -2.06 -3.43 115.95 112.46 1aid h TRP 6 Ca 0.02 -0.08 -0.61 0.00 2.06 0.00 0.00 58.89 60.28 1aid h TRP 6 Cb 1.28 -0.18 -0.13 0.00 -1.00 0.00 0.00 29.16 29.13 1aid h TRP 6 CO 0.37 0.63 -0.67 -0.65 -3.56 0.00 0.00 178.44 174.56 1aid s GLN 7 N -4.92 1.87 0.16 0.49 -1.52 -1.26 -5.09 119.66 109.38 1aid s GLN 7 Ca -0.08 -1.89 -0.34 0.00 -1.95 0.00 0.00 55.36 51.10 1aid s GLN 7 Cb 0.15 -1.75 -0.14 0.00 -0.22 0.00 0.00 33.01 31.04 1aid s GLN 7 CO 0.78 0.15 1.54 0.54 -0.25 0.00 0.00 175.29 178.05 1aid n ARG 8 N -0.82 2.03 -2.14 2.91 1.74 -1.26 -4.85 116.66 114.27 1aid n ARG 8 Ca -0.05 0.73 -0.38 0.00 -0.77 0.00 0.00 57.85 57.39 1aid n ARG 8 Cb 0.63 -2.48 -0.03 0.00 -1.02 0.00 0.00 32.46 29.57 1aid n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1aid n PRO 9 N 3.19 2.41 -3.37 5.56 -0.04 -1.26 -4.95 135.00 136.54 1aid n PRO 9 Ca 0.17 -2.76 -0.38 0.00 -0.04 0.00 0.00 63.50 60.49 1aid n PRO 9 Cb 0.28 -3.49 -0.06 0.00 -0.04 0.00 0.00 33.50 30.19 1aid n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1aid s LEU 10 N 6.05 4.35 0.26 1.53 1.43 -1.26 -1.32 118.68 129.71 1aid s LEU 10 Ca 0.59 0.87 0.04 0.00 -1.03 0.00 0.00 54.13 54.60 1aid s LEU 10 Cb 0.05 -2.67 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 1aid s LEU 10 CO 0.08 0.11 0.00 0.68 0.23 0.00 0.00 176.35 177.46 1aid s VAL 11 N 0.03 1.14 -0.21 -1.59 -7.23 0.49 -4.92 120.40 108.10 1aid s VAL 11 Ca 0.25 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 58.23 1aid s VAL 11 Cb -0.16 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1aid s VAL 11 CO 0.11 -0.25 0.38 -0.89 -0.31 0.00 0.00 175.10 174.15 1aid s THR 12 N -3.35 5.20 0.39 5.32 2.01 -1.26 -0.92 115.64 123.04 1aid s THR 12 Ca 0.30 0.67 0.08 0.00 0.31 0.00 0.00 61.69 63.05 1aid s THR 12 Cb 0.06 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1aid s THR 12 CO 0.11 0.24 0.18 0.27 -0.69 0.00 0.00 174.62 174.73 1aid s ILE 13 N 1.40 2.50 -0.06 1.82 -4.36 0.16 -2.32 121.20 120.33 1aid s ILE 13 Ca 0.18 -1.68 -0.02 0.00 -0.26 0.00 0.00 60.65 58.88 1aid s ILE 13 Cb -0.15 -2.98 0.03 0.00 1.25 0.00 0.00 42.46 40.61 1aid s ILE 13 CO 0.08 -0.05 0.02 -0.60 0.24 0.00 0.00 174.94 174.63 1aid s ARG 14 N -3.90 0.41 -0.07 0.37 3.52 -0.09 -1.32 118.95 117.86 1aid s ARG 14 Ca 0.41 0.18 -0.06 0.00 -0.13 0.00 0.00 55.73 56.12 1aid s ARG 14 Cb 0.02 -0.86 0.02 0.00 -1.56 0.00 0.00 34.95 32.57 1aid s ARG 14 CO 0.23 -0.32 0.19 -1.50 -0.81 0.00 0.00 175.30 173.09 1aid s ILE 15 N 2.03 -0.00 -1.50 4.11 2.07 -0.64 -1.01 121.20 126.25 1aid s ILE 15 Ca 0.05 0.01 -0.13 0.00 -1.41 0.00 0.00 60.65 59.16 1aid s ILE 15 Cb -0.12 -0.27 0.10 0.00 0.13 0.00 0.00 42.46 42.30 1aid s ILE 15 CO -0.05 0.00 0.77 0.61 -1.91 0.00 0.00 174.94 174.36 1aid n GLY 16 N 3.03 -0.48 3.74 1.50 0.00 -1.26 -1.19 105.19 110.53 1aid n GLY 16 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1aid n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aid n GLY 17 N -1.45 2.61 3.80 -0.02 0.00 -1.26 -4.99 105.19 103.88 1aid n GLY 17 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1aid n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1aid s GLN 18 N 0.00 3.15 0.32 1.61 -2.07 -0.33 -5.08 119.66 117.26 1aid s GLN 18 Ca 0.00 -0.42 -0.24 0.00 -1.82 0.00 0.00 55.36 52.88 1aid s GLN 18 Cb 0.00 -2.92 -0.10 0.00 -1.09 0.00 0.00 33.01 28.90 1aid s GLN 18 CO 0.00 0.67 0.90 -0.51 -1.32 0.00 0.00 175.29 175.03 1aid s LEU 19 N -1.64 4.27 0.06 2.60 1.43 -1.26 -1.63 118.68 122.51 1aid s LEU 19 Ca 0.22 1.72 -0.05 0.00 -1.03 0.00 0.00 54.13 54.99 1aid s LEU 19 Cb -0.12 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.06 1aid s LEU 19 CO 0.13 -0.10 0.09 -0.54 0.23 0.00 0.00 176.35 176.15 1aid s LYS 20 N -2.25 0.69 -0.15 1.70 -0.14 -0.43 -4.96 119.74 114.19 1aid s LYS 20 Ca 0.51 -1.00 -0.04 0.00 -1.36 0.00 0.00 55.97 54.08 1aid s LYS 20 Cb -0.16 0.26 -0.03 0.00 -1.68 0.00 0.00 37.83 36.22 1aid s LYS 20 CO 0.21 -0.18 -0.01 -1.21 -0.76 0.00 0.00 175.35 173.40 1aid s GLU 21 N -3.54 3.60 0.05 1.68 0.41 -1.26 -0.67 118.70 118.99 1aid s GLU 21 Ca 0.03 -0.47 0.01 0.00 -0.41 0.00 0.00 54.97 54.13 1aid s GLU 21 Cb 0.04 -2.94 -0.03 0.00 -1.78 0.00 0.00 34.13 29.42 1aid s GLU 21 CO -0.09 0.33 -0.05 0.00 -0.49 0.00 0.00 175.26 174.96 1aid s ALA 22 N 0.14 0.57 -0.16 5.21 0.00 -0.10 -4.70 121.76 122.72 1aid s ALA 22 Ca 0.00 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 50.76 1aid s ALA 22 Cb -0.13 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1aid s ALA 22 CO 0.02 -0.19 0.64 -1.17 0.00 0.00 0.00 175.76 175.07 1aid s LEU 23 N -2.26 4.20 -0.41 0.00 2.96 -0.14 -0.38 118.68 122.65 1aid s LEU 23 Ca -0.02 0.93 -0.29 0.00 -0.22 0.00 0.00 54.13 54.54 1aid s LEU 23 Cb -0.02 -2.94 0.02 0.00 0.50 0.00 0.00 46.19 43.76 1aid s LEU 23 CO -0.04 -0.22 1.25 -0.76 -1.32 0.00 0.00 176.35 175.26 1aid s LEU 24 N 1.54 3.69 -0.30 -0.68 1.43 -0.44 -1.33 118.68 122.59 1aid s LEU 24 Ca 0.31 0.75 0.02 0.00 -1.03 0.00 0.00 54.13 54.19 1aid s LEU 24 Cb -0.16 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.60 1aid s LEU 24 CO 0.12 -1.25 0.00 -0.62 0.23 0.00 0.00 176.35 174.84 1aid s ASP 25 N 2.90 4.39 0.42 2.29 -1.08 -0.15 -4.81 116.67 120.63 1aid s ASP 25 Ca 0.53 -1.71 0.29 0.00 -0.52 0.00 0.00 52.55 51.14 1aid s ASP 25 Cb -0.11 -1.40 1.23 0.00 -1.46 0.00 0.00 42.92 41.18 1aid s ASP 25 CO 0.29 -0.32 1.87 0.71 0.52 0.00 0.00 175.17 178.24 1aid h THR 26 N 6.64 0.00 0.00 1.71 1.35 -1.94 -2.64 112.91 118.03 1aid h THR 26 Ca -0.11 -0.35 -0.12 0.00 -0.55 0.00 0.00 66.41 65.28 1aid h THR 26 Cb 1.03 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 1aid h THR 26 CO 0.48 0.00 -0.56 1.23 -0.25 0.00 0.00 175.52 176.42 1aid h GLY 27 N 2.01 0.00 -5.34 5.82 0.00 -1.96 -3.45 103.07 100.15 1aid h GLY 27 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1aid h GLY 27 CO 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.44 1aid s ALA 28 N -2.95 3.47 -0.08 3.60 0.00 -1.00 -4.97 121.76 119.84 1aid s ALA 28 Ca 0.03 -0.12 0.28 0.00 0.00 0.00 0.00 51.96 52.15 1aid s ALA 28 Cb 0.08 -2.68 0.91 0.00 0.00 0.00 0.00 23.12 21.43 1aid s ALA 28 CO 0.75 0.04 1.82 -0.44 0.00 0.00 0.00 175.76 177.93 1aid h ASP 29 N 6.44 0.00 -2.73 0.00 3.32 -1.87 0.10 116.42 121.68 1aid h ASP 29 Ca -0.42 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.10 1aid h ASP 29 Cb 1.19 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.60 1aid h ASP 29 CO 0.74 0.06 -0.58 -1.81 -1.72 0.00 0.00 179.24 175.92 1aid s ASP 30 N -5.97 2.83 -0.24 6.45 1.01 -1.26 -2.30 116.67 117.19 1aid s ASP 30 Ca 0.03 -1.45 -0.06 0.00 0.71 0.00 0.00 52.55 51.78 1aid s ASP 30 Cb 0.08 0.02 -0.02 0.00 1.01 0.00 0.00 42.92 44.00 1aid s ASP 30 CO 0.61 -0.66 0.03 -0.89 0.21 0.00 0.00 175.17 174.47 1aid s THR 31 N -3.15 4.01 -0.14 -1.27 2.01 -1.26 -1.65 115.64 114.18 1aid s THR 31 Ca 0.32 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1aid s THR 31 Cb 0.07 -2.86 0.02 0.00 0.01 0.00 0.00 72.50 69.75 1aid s THR 31 CO 0.15 0.37 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.63 1aid s VAL 32 N 1.54 1.44 0.25 3.82 1.01 0.44 -0.76 120.40 128.14 1aid s VAL 32 Ca 0.06 -0.56 0.11 0.00 0.00 0.00 0.00 61.98 61.59 1aid s VAL 32 Cb -0.15 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 1aid s VAL 32 CO 0.01 0.43 -0.19 -0.76 0.00 0.00 0.00 175.10 174.59 1aid s LEU 33 N 1.54 2.56 1.07 3.92 1.43 -0.30 -0.54 118.68 128.36 1aid s LEU 33 Ca 0.05 -1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 52.03 1aid s LEU 33 Cb -0.13 -1.01 0.23 0.00 0.03 0.00 0.00 46.19 45.31 1aid s LEU 33 CO -0.10 0.01 1.07 -1.83 0.23 0.00 0.00 176.35 175.73 1aid s GLU 34 N -3.39 -0.20 0.03 1.70 -1.05 -1.26 -1.38 118.70 113.14 1aid s GLU 34 Ca 0.27 1.14 -0.32 0.00 -0.15 0.00 0.00 54.97 55.91 1aid s GLU 34 Cb -0.05 -1.61 -0.11 0.00 -0.44 0.00 0.00 34.13 31.92 1aid s GLU 34 CO 0.12 -3.33 1.86 -1.91 0.95 0.00 0.00 175.26 172.95 1aid n GLU 35 N -4.68 2.50 -3.82 -4.83 4.07 -1.12 -4.42 120.64 108.35 1aid n GLU 35 Ca 0.07 0.91 -0.11 0.00 -0.06 0.00 0.00 57.16 57.97 1aid n GLU 35 Cb 0.53 -2.79 -0.08 0.00 -0.06 0.00 0.00 31.44 29.04 1aid n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1aid s MET 36 N 3.46 0.69 -0.86 5.31 0.23 -1.26 -5.04 119.30 121.82 1aid s MET 36 Ca 0.87 -0.52 -0.16 0.00 -1.03 0.00 0.00 55.69 54.86 1aid s MET 36 Cb -0.57 0.29 0.18 0.00 -1.53 0.00 0.00 34.83 33.20 1aid s MET 36 CO 0.44 -0.20 0.90 1.21 -2.03 0.00 0.00 175.02 175.34 1aid s ASN 37 N -1.89 6.70 0.01 -1.18 2.47 -1.26 -5.01 114.94 114.78 1aid s ASN 37 Ca -0.07 -2.43 -0.30 0.00 0.42 0.00 0.00 52.86 50.47 1aid s ASN 37 Cb -0.02 -2.28 -0.04 0.00 -1.45 0.00 0.00 41.25 37.45 1aid s ASN 37 CO -0.02 -0.77 1.08 -0.76 -3.72 0.00 0.00 177.10 172.91 1aid s LEU 38 N 1.15 4.36 0.10 3.21 1.43 -1.26 -5.01 118.68 122.66 1aid s LEU 38 Ca 0.23 1.79 -0.32 0.00 -1.03 0.00 0.00 54.13 54.81 1aid s LEU 38 Cb -0.08 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.46 1aid s LEU 38 CO -0.09 -0.37 1.83 -2.65 0.23 0.00 0.00 176.35 175.31 1aid n PRO 39 N 4.05 2.69 0.00 1.29 -0.02 -1.26 -4.93 135.00 136.82 1aid n PRO 39 Ca 0.08 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1aid n PRO 39 Cb 0.49 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 1aid n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aid n GLY 40 N 4.21 1.86 3.85 -1.23 0.00 -1.26 -5.10 105.19 107.53 1aid n GLY 40 Ca 0.19 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 1aid n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aid s LYS 41 N -1.93 3.93 0.18 1.61 0.00 -1.26 -5.09 119.74 117.18 1aid s LYS 41 Ca 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 55.97 56.37 1aid s LYS 41 Cb 0.00 -2.89 -0.03 0.00 0.00 0.00 0.00 37.83 34.91 1aid s LYS 41 CO 0.00 0.46 0.17 1.67 0.00 0.00 0.00 175.35 177.64 1aid s TRP 42 N -1.52 0.87 0.04 1.78 1.48 -1.26 -4.56 118.94 115.78 1aid s TRP 42 Ca 0.39 -1.17 0.06 0.00 -1.06 0.00 0.00 56.10 54.31 1aid s TRP 42 Cb -0.14 -0.38 -0.02 0.00 -1.16 0.00 0.00 33.47 31.76 1aid s TRP 42 CO 0.19 -0.65 -0.16 0.15 -4.06 0.00 0.00 176.95 172.42 1aid s LYS 43 N -4.08 1.03 0.58 3.25 3.01 -0.67 -4.95 119.74 117.91 1aid s LYS 43 Ca 0.29 -0.82 -0.19 0.00 -1.01 0.00 0.00 55.97 54.24 1aid s LYS 43 Cb 0.06 -1.07 -0.04 0.00 -1.01 0.00 0.00 37.83 35.76 1aid s LYS 43 CO 0.07 0.27 1.19 -2.14 0.51 0.00 0.00 175.35 175.24 1aid s PRO 44 N -1.21 3.09 0.01 -1.68 0.02 -1.26 0.03 135.00 134.00 1aid s PRO 44 Ca 0.03 1.78 -0.12 0.00 0.02 0.00 0.00 61.00 62.71 1aid s PRO 44 Cb -0.08 -1.96 0.01 0.00 0.02 0.00 0.00 34.50 32.49 1aid s PRO 44 CO 0.02 -1.10 0.24 0.21 -0.33 0.00 0.00 177.00 176.03 1aid s LYS 45 N -3.30 0.66 -0.06 5.54 2.47 -0.58 -4.77 119.74 119.69 1aid s LYS 45 Ca 0.76 -0.40 0.03 0.00 -1.56 0.00 0.00 55.97 54.80 1aid s LYS 45 Cb -0.29 0.28 -0.02 0.00 -1.46 0.00 0.00 37.83 36.34 1aid s LYS 45 CO 0.32 -0.19 -0.15 -1.64 0.16 0.00 0.00 175.35 173.85 1aid s MET 46 N -1.87 2.64 -0.16 4.03 -1.94 -1.26 -0.87 119.30 119.88 1aid s MET 46 Ca -0.10 -0.71 -0.00 0.00 -1.71 0.00 0.00 55.69 53.16 1aid s MET 46 Cb -0.04 -2.40 0.04 0.00 2.01 0.00 0.00 34.83 34.44 1aid s MET 46 CO 0.00 0.54 -0.07 0.96 -0.01 0.00 0.00 175.02 176.44 1aid s ILE 47 N -0.51 1.16 0.47 2.53 -4.36 -0.00 -4.95 121.20 115.54 1aid s ILE 47 Ca 0.07 -0.58 -0.21 0.00 -0.26 0.00 0.00 60.65 59.67 1aid s ILE 47 Cb -0.12 -1.28 -0.09 0.00 1.25 0.00 0.00 42.46 42.22 1aid s ILE 47 CO 0.01 0.20 1.02 -0.83 0.24 0.00 0.00 174.94 175.59 1aid s GLY 48 N 1.62 2.50 0.00 6.27 0.00 -1.26 -1.69 107.32 114.76 1aid s GLY 48 Ca 0.02 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.31 1aid s GLY 48 CO -0.08 0.89 0.00 0.61 0.00 0.00 0.00 173.10 174.52 1aid n GLY 49 N -0.29 4.51 3.59 0.20 0.00 0.60 -4.97 105.19 108.82 1aid n GLY 49 Ca 0.09 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1aid n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aid s ILE 50 N -0.40 3.58 -1.19 -0.61 1.01 -1.26 -3.21 121.20 119.12 1aid s ILE 50 Ca 0.00 0.55 -0.06 0.00 0.00 0.00 0.00 60.65 61.13 1aid s ILE 50 Cb 0.00 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.57 1aid s ILE 50 CO 0.00 -0.67 1.03 0.61 0.00 0.00 0.00 174.94 175.92 1aid n GLY 51 N 5.38 -0.37 0.00 6.18 0.00 -1.26 -4.94 105.19 110.18 1aid n GLY 51 Ca 0.20 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1aid n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aid n GLY 52 N -1.71 -2.50 3.15 -0.02 0.00 -1.20 -5.16 105.19 97.76 1aid n GLY 52 Ca -0.05 -1.25 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 1aid n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aid s PHE 53 N -2.04 1.01 0.00 1.61 0.40 -1.26 -0.29 117.98 117.41 1aid s PHE 53 Ca 0.00 -0.59 0.05 0.00 -0.60 0.00 0.00 56.93 55.80 1aid s PHE 53 Cb 0.00 -0.56 -0.02 0.00 0.51 0.00 0.00 43.02 42.95 1aid s PHE 53 CO 0.00 -0.01 -0.17 0.42 0.70 0.00 0.00 175.22 176.16 1aid s ILE 54 N -2.00 1.34 0.01 0.64 1.01 -0.68 -4.94 121.20 116.58 1aid s ILE 54 Ca 0.01 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.66 1aid s ILE 54 Cb -0.06 -1.14 -0.06 0.00 0.01 0.00 0.00 42.46 41.22 1aid s ILE 54 CO 0.00 0.30 0.48 -0.75 0.00 0.00 0.00 174.94 174.97 1aid s LYS 55 N -0.61 4.08 0.33 2.79 2.20 -1.26 -0.82 119.74 126.44 1aid s LYS 55 Ca 0.06 0.54 0.04 0.00 -0.36 0.00 0.00 55.97 56.25 1aid s LYS 55 Cb -0.07 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1aid s LYS 55 CO -0.00 0.60 0.17 0.14 -0.36 0.00 0.00 175.35 175.90 1aid s VAL 56 N -0.85 0.34 -0.27 4.02 -7.23 -0.05 -4.50 120.40 111.86 1aid s VAL 56 Ca 0.26 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.40 1aid s VAL 56 Cb -0.17 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.32 1aid s VAL 56 CO 0.15 0.00 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.79 1aid s ARG 57 N -3.72 2.75 -0.24 4.82 0.52 0.92 -1.53 118.95 122.48 1aid s ARG 57 Ca 0.34 -1.05 -0.28 0.00 -0.52 0.00 0.00 55.73 54.22 1aid s ARG 57 Cb 0.04 -3.11 0.01 0.00 0.52 0.00 0.00 34.95 32.40 1aid s ARG 57 CO 0.19 -0.48 1.01 -1.14 0.02 0.00 0.00 175.30 174.90 1aid s GLN 58 N 1.33 4.24 0.01 3.54 0.74 0.11 -0.26 119.66 129.36 1aid s GLN 58 Ca -0.01 1.28 0.05 0.00 0.05 0.00 0.00 55.36 56.73 1aid s GLN 58 Cb -0.18 -3.65 -0.03 0.00 1.10 0.00 0.00 33.01 30.26 1aid s GLN 58 CO -0.02 -0.62 -0.15 0.71 -0.55 0.00 0.00 175.29 174.65 1aid s TYR 59 N 3.16 2.64 -0.15 1.67 1.51 -0.46 -1.66 117.35 124.06 1aid s TYR 59 Ca 0.43 -0.20 0.09 0.00 -1.01 0.00 0.00 57.07 56.38 1aid s TYR 59 Cb -0.15 -1.54 -0.16 0.00 -0.11 0.00 0.00 41.96 40.01 1aid s TYR 59 CO 0.07 0.24 -0.02 -0.25 -1.11 0.00 0.00 175.55 174.48 1aid n ASP 60 N 1.81 1.84 -2.98 2.29 8.00 -1.26 -1.87 116.55 124.38 1aid n ASP 60 Ca -0.16 -0.03 -0.25 0.00 0.71 0.00 0.00 54.79 55.05 1aid n ASP 60 Cb 0.52 0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 42.09 1aid n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aid n GLN 61 N -2.68 2.87 -3.13 -1.24 1.13 -1.26 -3.14 117.38 109.93 1aid n GLN 61 Ca -0.26 -4.62 -0.39 0.00 -1.94 0.00 0.00 57.00 49.79 1aid n GLN 61 Cb 0.92 -2.15 -0.05 0.00 0.11 0.00 0.00 30.24 29.07 1aid n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1aid s ILE 62 N -4.15 4.99 0.05 5.09 -1.09 -0.47 -4.77 121.20 120.86 1aid s ILE 62 Ca 0.47 1.32 -0.30 0.00 -2.23 0.00 0.00 60.65 59.91 1aid s ILE 62 Cb 0.29 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 1aid s ILE 62 CO -0.13 0.33 1.14 -2.84 -1.23 0.00 0.00 174.94 172.21 1aid s PRO 63 N 0.34 4.47 -0.03 2.79 0.02 -1.26 -1.54 135.00 139.80 1aid s PRO 63 Ca 0.34 1.67 -0.00 0.00 0.02 0.00 0.00 61.00 63.02 1aid s PRO 63 Cb -0.18 -3.37 0.03 0.00 0.02 0.00 0.00 34.50 31.00 1aid s PRO 63 CO 0.17 -0.19 0.04 0.08 -0.33 0.00 0.00 177.00 176.77 1aid s VAL 64 N 0.99 -0.06 -0.09 3.83 1.01 -0.21 -4.58 120.40 121.29 1aid s VAL 64 Ca 0.56 0.27 -0.13 0.00 0.00 0.00 0.00 61.98 62.68 1aid s VAL 64 Cb -0.27 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.95 1aid s VAL 64 CO 0.29 0.11 0.33 -1.61 0.00 0.00 0.00 175.10 174.22 1aid s GLU 65 N 1.36 4.01 -0.19 2.72 2.02 -0.18 -0.57 118.70 127.86 1aid s GLU 65 Ca -0.05 0.20 -0.02 0.00 0.02 0.00 0.00 54.97 55.12 1aid s GLU 65 Cb -0.13 -3.32 0.06 0.00 0.10 0.00 0.00 34.13 30.84 1aid s GLU 65 CO -0.03 0.48 0.01 0.42 0.02 0.00 0.00 175.26 176.16 1aid s ILE 66 N -0.31 0.72 -1.41 -1.63 1.01 0.99 -0.92 121.20 119.65 1aid s ILE 66 Ca 0.20 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 1aid s ILE 66 Cb -0.14 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.17 1aid s ILE 66 CO 0.08 -0.15 0.36 0.00 0.00 0.00 0.00 174.94 175.23 1aid n GLY 68 N -2.10 2.68 3.66 0.00 0.00 -1.26 -4.98 105.19 103.20 1aid n GLY 68 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1aid n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1aid s HIS 69 N -1.50 3.39 0.13 1.61 4.02 0.29 -5.00 115.29 118.23 1aid s HIS 69 Ca 0.00 1.22 -0.19 0.00 1.02 0.00 0.00 55.06 57.11 1aid s HIS 69 Cb 0.00 -3.02 -0.07 0.00 -1.02 0.00 0.00 32.58 28.47 1aid s HIS 69 CO 0.00 -0.27 0.62 0.21 1.02 0.00 0.00 174.74 176.32 1aid s LYS 70 N 2.30 4.20 0.09 1.40 2.20 -1.26 -0.01 119.74 128.66 1aid s LYS 70 Ca 0.37 0.76 0.02 0.00 -0.36 0.00 0.00 55.97 56.76 1aid s LYS 70 Cb -0.16 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 1aid s LYS 70 CO 0.11 0.54 -0.07 0.00 -0.36 0.00 0.00 175.35 175.57 1aid s ALA 71 N -1.29 0.90 -0.05 3.13 0.00 0.26 -4.84 121.76 119.87 1aid s ALA 71 Ca 0.35 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1aid s ALA 71 Cb -0.18 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.06 1aid s ALA 71 CO 0.20 -0.17 -0.16 0.42 0.00 0.00 0.00 175.76 176.06 1aid s ILE 72 N -3.03 1.34 0.00 0.00 1.01 -1.26 -1.04 121.20 118.23 1aid s ILE 72 Ca 0.06 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 1aid s ILE 72 Cb 0.01 -1.18 0.04 0.00 0.01 0.00 0.00 42.46 41.34 1aid s ILE 72 CO -0.03 0.40 0.50 0.61 0.00 0.00 0.00 174.94 176.41 1aid n GLY 73 N 3.41 0.53 3.75 6.18 0.00 -0.59 -4.93 105.19 113.54 1aid n GLY 73 Ca -0.20 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 1aid n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aid s THR 74 N -2.13 3.95 -0.03 2.61 2.01 -1.19 -1.37 115.64 119.50 1aid s THR 74 Ca 0.12 1.87 0.04 0.00 0.31 0.00 0.00 61.69 64.03 1aid s THR 74 Cb -0.00 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 1aid s THR 74 CO 0.00 0.41 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.49 1aid s VAL 75 N -0.88 1.31 -0.17 3.82 1.01 -0.78 -4.39 120.40 120.32 1aid s VAL 75 Ca 0.44 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 1aid s VAL 75 Cb -0.28 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 1aid s VAL 75 CO 0.34 0.38 0.14 -0.76 0.00 0.00 0.00 175.10 175.20 1aid s LEU 76 N -0.11 4.28 -0.05 3.92 1.43 0.06 -1.35 118.68 126.87 1aid s LEU 76 Ca 0.00 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.48 1aid s LEU 76 Cb -0.09 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 1aid s LEU 76 CO 0.01 0.27 -0.22 -0.69 0.23 0.00 0.00 176.35 175.94 1aid s VAL 77 N -0.16 1.81 -2.38 -1.59 1.01 0.64 -1.15 120.40 118.58 1aid s VAL 77 Ca 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1aid s VAL 77 Cb -0.11 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1aid s VAL 77 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1aid n GLY 78 N 2.99 -0.62 2.37 4.51 0.00 -0.48 -0.06 105.19 113.90 1aid n GLY 78 Ca -0.18 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 1aid n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1aid n PRO 79 N 0.00 3.62 -2.78 1.61 -0.04 -1.26 -2.81 135.00 133.34 1aid n PRO 79 Ca 0.00 -2.57 -0.38 0.00 -0.04 0.00 0.00 63.50 60.51 1aid n PRO 79 Cb 0.00 -2.51 -0.06 0.00 -0.04 0.00 0.00 33.50 30.88 1aid n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1aid s THR 80 N -0.08 4.18 0.24 0.52 -1.32 -1.26 -4.94 115.64 112.98 1aid s THR 80 Ca 0.61 1.89 0.17 0.00 -1.21 0.00 0.00 61.69 63.15 1aid s THR 80 Cb 0.24 -4.10 0.10 0.00 -1.51 0.00 0.00 72.50 67.23 1aid s THR 80 CO -0.09 0.24 1.74 1.55 -2.21 0.00 0.00 174.62 175.85 1aid h PRO 81 N 3.45 0.00 -3.82 7.08 0.13 -1.98 -3.44 132.00 133.42 1aid h PRO 81 Ca -0.46 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.38 1aid h PRO 81 Cb 1.19 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.02 1aid h PRO 81 CO 0.66 0.41 -0.73 0.54 -0.23 0.00 0.00 178.00 178.65 1aid s VAL 82 N -3.73 0.12 -0.23 1.56 0.11 -1.26 -5.11 120.40 111.85 1aid s VAL 82 Ca -0.01 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 1aid s VAL 82 Cb 0.12 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.82 1aid s VAL 82 CO 0.70 0.07 0.94 0.20 -3.33 0.00 0.00 175.10 173.68 1aid s ASN 83 N 0.36 6.98 -0.18 3.54 0.01 -1.26 -4.82 114.94 119.56 1aid s ASN 83 Ca -0.03 1.22 -0.03 0.00 -0.71 0.00 0.00 52.86 53.31 1aid s ASN 83 Cb -0.05 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.10 1aid s ASN 83 CO -0.01 -0.58 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.32 1aid s ILE 84 N 2.96 3.56 -0.29 0.60 -1.09 0.30 -0.96 121.20 126.28 1aid s ILE 84 Ca 0.40 -0.46 -0.01 0.00 -2.23 0.00 0.00 60.65 58.35 1aid s ILE 84 Cb -0.15 -2.57 0.05 0.00 -1.58 0.00 0.00 42.46 38.20 1aid s ILE 84 CO 0.07 0.47 -0.02 -0.51 -1.23 0.00 0.00 174.94 173.71 1aid s ILE 85 N 0.83 2.84 0.00 2.92 2.07 -0.45 -0.42 121.20 128.99 1aid s ILE 85 Ca -0.02 -1.40 0.00 0.00 -1.41 0.00 0.00 60.65 57.83 1aid s ILE 85 Cb -0.15 -2.62 0.00 0.00 0.13 0.00 0.00 42.46 39.82 1aid s ILE 85 CO 0.01 -0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.59 1aid n GLY 86 N 4.59 1.57 0.35 1.50 0.00 -0.66 -0.98 105.19 111.57 1aid n GLY 86 Ca -0.14 -2.03 0.09 0.00 0.00 0.00 0.00 46.02 43.94 1aid n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1aid h ARG 87 N 0.00 0.56 -0.35 1.61 3.08 -0.83 -1.97 114.38 116.49 1aid h ARG 87 Ca 0.00 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1aid h ARG 87 Cb 0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1aid h ARG 87 CO 0.00 0.37 0.23 -2.95 -1.07 0.00 0.00 179.97 176.55 1aid h ASN 88 N 0.58 0.39 0.09 7.04 -1.07 -1.73 -1.68 115.58 119.20 1aid h ASN 88 Ca 0.29 -0.01 -0.14 0.00 0.07 0.00 0.00 56.30 56.51 1aid h ASN 88 Cb 0.39 -0.10 -0.03 0.00 -2.07 0.00 0.00 38.32 36.51 1aid h ASN 88 CO -0.09 0.28 -2.05 0.18 0.07 0.00 0.00 177.43 175.82 1aid n LEU 89 N -4.49 0.10 -0.11 6.14 4.77 -0.89 -4.18 117.00 118.34 1aid n LEU 89 Ca 0.02 0.04 -0.03 0.00 -0.03 0.00 0.00 56.01 56.02 1aid n LEU 89 Cb 0.07 0.17 0.20 0.00 -2.33 0.00 0.00 43.42 41.53 1aid n LEU 89 CO 0.35 0.17 0.95 -0.07 -1.33 0.00 0.00 177.39 177.47 1aid h LEU 90 N 0.00 0.73 -0.92 2.23 3.38 -0.83 -2.42 115.31 117.49 1aid h LEU 90 Ca -0.20 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 1aid h LEU 90 Cb 1.47 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 1aid h LEU 90 CO 0.01 0.74 0.24 0.71 0.09 0.00 0.00 178.44 180.24 1aid h THR 91 N 0.75 1.24 -0.83 0.22 1.35 -1.51 -1.18 112.91 112.94 1aid h THR 91 Ca 0.16 -0.81 -0.04 0.00 -0.55 0.00 0.00 66.41 65.17 1aid h THR 91 Cb 0.33 0.46 -0.04 0.00 -1.73 0.00 0.00 68.15 67.17 1aid h THR 91 CO 0.00 0.32 0.36 1.56 -0.25 0.00 0.00 175.52 177.52 1aid h GLN 92 N 1.00 1.22 -0.15 4.72 1.08 -1.62 -2.41 115.11 118.95 1aid h GLN 92 Ca 0.23 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1aid h GLN 92 Cb 0.25 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1aid h GLN 92 CO -0.01 0.96 0.00 0.44 -0.95 0.00 0.00 178.83 179.27 1aid n ILE 93 N -4.29 0.19 -2.67 2.54 -5.35 -0.95 -4.93 119.36 103.90 1aid n ILE 93 Ca 0.08 -0.32 -0.07 0.00 -0.27 0.00 0.00 62.75 62.17 1aid n ILE 93 Cb 0.17 0.33 0.02 0.00 -1.74 0.00 0.00 39.64 38.41 1aid n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1aid n GLY 94 N 1.11 0.40 3.75 3.28 0.00 -0.91 -5.02 105.19 107.80 1aid n GLY 94 Ca 0.16 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1aid n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aid s THR 96 N -0.24 1.27 -0.15 0.00 -4.23 -1.26 -4.69 115.64 106.34 1aid s THR 96 Ca 0.40 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.86 1aid s THR 96 Cb -0.21 -2.78 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 1aid s THR 96 CO 0.25 -0.02 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.51 1aid s LEU 97 N -3.50 3.27 -0.03 4.79 1.43 -1.26 -5.10 118.68 118.29 1aid s LEU 97 Ca 0.36 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1aid s LEU 97 Cb 0.09 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1aid s LEU 97 CO 0.15 0.18 0.10 0.20 0.23 0.00 0.00 176.35 177.22 1aid s ASN 98 N 0.27 -0.06 0.00 2.29 0.01 -1.26 -5.29 114.94 110.90 1aid s ASN 98 Ca -0.03 0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.21 1aid s ASN 98 Cb -0.14 0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.73 1aid s ASN 98 CO 0.03 -0.12 0.00 2.22 -1.51 0.00 0.00 177.10 177.72