#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f s LYS 2 N 0.00 3.79 0.12 0.03 2.36 -1.26 -5.00 119.74 119.78 3i8f s LYS 2 Ca 0.00 1.22 -0.00 0.00 -2.55 0.00 0.00 55.97 54.63 3i8f s LYS 2 Cb 0.00 -3.95 0.02 0.00 -1.05 0.00 0.00 37.83 32.86 3i8f s LYS 2 CO 0.00 -1.28 0.16 0.54 1.55 0.00 0.00 175.35 176.32 3i8f n ARG 3 N 7.60 0.43 0.21 4.03 5.12 -1.26 -5.03 116.66 127.77 3i8f n ARG 3 Ca 0.16 -0.42 0.13 0.00 -1.93 0.00 0.00 57.85 55.79 3i8f n ARG 3 Cb 0.47 -0.12 0.25 0.00 -1.16 0.00 0.00 32.46 31.90 3i8f n ARG 3 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i8f h THR 4 N -0.49 0.00 -3.37 0.55 1.03 -2.10 -3.42 112.91 105.10 3i8f h THR 4 Ca -0.05 -0.89 -0.72 0.00 -0.01 0.00 0.00 66.41 64.74 3i8f h THR 4 Cb 0.19 1.89 -0.30 0.00 -1.07 0.00 0.00 68.15 68.86 3i8f h THR 4 CO 0.06 0.00 -0.44 0.86 -0.01 0.00 0.00 175.52 175.99 3i8f s TRP 5 N -3.25 3.43 -0.56 0.00 -0.00 -1.26 -5.00 118.94 112.30 3i8f s TRP 5 Ca 0.07 -1.88 -0.01 0.00 -0.00 0.00 0.00 56.10 54.28 3i8f s TRP 5 Cb 0.06 -3.31 0.14 0.00 -0.00 0.00 0.00 33.47 30.37 3i8f s TRP 5 CO 0.65 -0.95 0.35 -0.65 -0.00 0.00 0.00 176.95 176.34 3i8f s GLN 6 N 1.34 2.30 0.14 5.86 -1.52 -1.26 -5.08 119.66 121.44 3i8f s GLN 6 Ca 0.05 -2.44 -0.34 0.00 -1.95 0.00 0.00 55.36 50.67 3i8f s GLN 6 Cb -0.25 -3.58 -0.16 0.00 -0.22 0.00 0.00 33.01 28.80 3i8f s GLN 6 CO -0.01 -1.13 1.31 -2.30 -0.25 0.00 0.00 175.29 172.91 3i8f n PRO 7 N 3.55 1.36 -3.23 2.91 -0.02 -1.26 -4.99 135.00 133.32 3i8f n PRO 7 Ca 0.06 0.49 -0.02 0.00 -2.02 0.00 0.00 63.50 62.01 3i8f n PRO 7 Cb 0.37 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 3i8f n PRO 7 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3i8f s ASN 8 N 0.35 -0.69 0.42 2.55 3.04 -1.26 -5.05 114.94 114.29 3i8f s ASN 8 Ca 0.78 0.45 0.08 0.00 0.04 0.00 0.00 52.86 54.21 3i8f s ASN 8 Cb -0.86 1.69 0.90 0.00 -1.54 0.00 0.00 41.25 41.45 3i8f s ASN 8 CO 0.48 -0.29 2.05 0.03 -3.04 0.00 0.00 177.10 176.33 3i8f h ARG 9 N 8.08 0.50 0.19 0.43 3.08 -1.96 -1.71 114.38 122.98 3i8f h ARG 9 Ca -0.18 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 3i8f h ARG 9 Cb 1.16 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3i8f h ARG 9 CO 0.25 0.33 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.30 3i8f h ARG 10 N 0.51 -0.25 -0.16 0.04 2.43 -1.99 -2.61 114.38 112.35 3i8f h ARG 10 Ca 0.16 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.40 3i8f h ARG 10 Cb 0.03 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3i8f h ARG 10 CO -0.04 0.08 0.22 -0.22 -1.51 0.00 0.00 179.97 178.50 3i8f h LYS 11 N -0.60 0.00 0.02 0.20 1.63 -1.86 -0.58 116.57 115.37 3i8f h LYS 11 Ca -0.03 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3i8f h LYS 11 Cb 0.44 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 3i8f h LYS 11 CO 0.04 0.00 -0.01 -0.09 -3.45 0.00 0.00 179.45 175.94 3i8f h ARG 12 N 0.00 -0.02 -0.67 1.90 2.43 -1.10 -1.72 114.38 115.20 3i8f h ARG 12 Ca 0.08 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.44 3i8f h ARG 12 Cb 0.51 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 3i8f h ARG 12 CO -0.00 -0.02 0.48 0.00 -1.51 0.00 0.00 179.97 178.92 3i8f h ALA 13 N -1.27 2.61 0.01 2.80 0.00 -1.28 0.44 119.26 122.56 3i8f h ALA 13 Ca -0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 3i8f h ALA 13 Cb 0.02 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3i8f h ALA 13 CO 0.00 -0.80 -0.69 -0.22 0.00 0.00 0.00 179.25 177.55 3i8f h LYS 14 N 0.02 0.45 0.06 0.00 1.63 -1.21 -1.85 116.57 115.68 3i8f h LYS 14 Ca 0.32 -0.50 -0.09 0.00 -0.85 0.00 0.00 60.65 59.53 3i8f h LYS 14 Cb 1.25 0.14 0.01 0.00 -0.60 0.00 0.00 32.23 33.04 3i8f h LYS 14 CO -0.01 1.15 -0.39 1.15 -3.45 0.00 0.00 179.45 177.90 3i8f h THR 15 N -0.04 1.65 -0.18 1.00 2.02 0.26 -3.38 112.91 114.25 3i8f h THR 15 Ca -0.09 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.70 3i8f h THR 15 Cb 1.39 3.25 0.00 0.00 -1.74 0.00 0.00 68.15 71.05 3i8f h THR 15 CO 0.13 0.65 0.00 1.41 0.37 0.00 0.00 175.52 178.09 3i8f n HIS 16 N -4.38 0.54 -0.52 3.16 8.25 0.12 -4.87 115.22 117.52 3i8f n HIS 16 Ca -0.12 -0.82 -0.28 0.00 -0.26 0.00 0.00 57.72 56.25 3i8f n HIS 16 Cb 0.63 -0.21 0.21 0.00 1.12 0.00 0.00 29.99 31.74 3i8f n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i8f n GLY 17 N -0.61 -2.70 0.08 -1.41 0.00 -0.69 -4.43 105.19 95.43 3i8f n GLY 17 Ca 0.17 -1.03 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 3i8f n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3i8f h PHE 18 N -2.64 0.05 0.00 1.61 3.57 -1.96 -1.76 116.94 115.81 3i8f h PHE 18 Ca -0.45 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 3i8f h PHE 18 Cb 1.20 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 3i8f h PHE 18 CO -1.38 1.16 -0.04 0.00 -2.23 0.00 0.00 178.31 175.82 3i8f h ARG 19 N -0.94 0.00 0.41 1.11 3.08 -1.93 0.81 114.38 116.93 3i8f h ARG 19 Ca -0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3i8f h ARG 19 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3i8f h ARG 19 CO -0.04 0.04 -0.20 0.00 -1.07 0.00 0.00 179.97 178.70 3i8f h ALA 20 N 1.96 -0.55 -0.68 0.04 0.00 -1.83 -3.05 119.26 115.15 3i8f h ALA 20 Ca -0.00 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.84 3i8f h ALA 20 Cb 0.17 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3i8f h ALA 20 CO 0.01 -0.54 0.34 0.00 0.00 0.00 0.00 179.25 179.05 3i8f h ARG 21 N -1.09 0.57 0.00 0.00 2.47 -0.50 -2.41 114.38 113.43 3i8f h ARG 21 Ca -0.06 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.63 3i8f h ARG 21 Cb 0.49 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.68 3i8f h ARG 21 CO 0.09 0.38 -0.00 0.52 0.56 0.00 0.00 179.97 181.52 3i8f h MET 22 N 0.59 0.00 0.02 0.04 2.86 -0.93 -2.33 114.93 115.18 3i8f h MET 22 Ca 0.33 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.76 3i8f h MET 22 Cb 0.32 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3i8f h MET 22 CO -0.25 0.00 -0.96 -0.09 1.06 0.00 0.00 176.91 176.67 3i8f h ARG 23 N 0.00 0.07 -5.20 1.72 2.43 -1.31 -3.45 114.38 108.64 3i8f h ARG 23 Ca -0.00 -0.10 -0.64 0.00 -0.81 0.00 0.00 59.98 58.43 3i8f h ARG 23 Cb 0.01 0.03 -0.21 0.00 -0.42 0.00 0.00 29.97 29.38 3i8f h ARG 23 CO 0.00 0.97 -0.64 -0.08 -1.51 0.00 0.00 179.97 178.71 3i8f s THR 24 N -2.91 4.14 0.63 0.20 -1.32 -1.14 -4.95 115.64 110.29 3i8f s THR 24 Ca -0.01 -0.26 0.22 0.00 -1.21 0.00 0.00 61.69 60.44 3i8f s THR 24 Cb 0.10 -2.86 0.27 0.00 -1.51 0.00 0.00 72.50 68.50 3i8f s THR 24 CO 0.82 0.45 1.60 1.55 -2.21 0.00 0.00 174.62 176.83 3i8f h PRO 25 N 7.14 0.00 -0.06 7.08 0.13 -1.87 1.04 132.00 145.45 3i8f h PRO 25 Ca -0.35 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.74 3i8f h PRO 25 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3i8f h PRO 25 CO 0.63 0.00 -0.13 0.78 -0.23 0.00 0.00 178.00 179.05 3i8f h GLY 26 N 0.00 0.21 2.00 1.56 0.00 -1.92 -2.93 103.07 102.00 3i8f h GLY 26 Ca 0.15 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3i8f h GLY 26 CO -0.00 0.23 -0.39 -1.33 0.00 0.00 0.00 176.54 175.05 3i8f h GLY 27 N -0.31 0.00 1.72 4.60 0.00 0.93 -2.84 103.07 107.17 3i8f h GLY 27 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3i8f h GLY 27 CO 0.03 0.00 -0.26 3.21 0.00 0.00 0.00 176.54 179.52 3i8f h ARG 28 N 0.00 0.33 0.00 4.80 3.08 -0.37 -2.12 114.38 120.10 3i8f h ARG 28 Ca -0.00 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3i8f h ARG 28 Cb 0.75 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 3i8f h ARG 28 CO 0.05 0.57 -0.20 0.87 -1.07 0.00 0.00 179.97 180.20 3i8f h LYS 29 N 0.30 0.00 0.48 0.04 1.79 -1.31 -2.22 116.57 115.66 3i8f h LYS 29 Ca 0.05 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.49 3i8f h LYS 29 Cb 0.62 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 3i8f h LYS 29 CO 0.04 0.20 -0.23 0.28 -1.08 0.00 0.00 179.45 178.66 3i8f h VAL 30 N 0.00 0.27 -0.83 0.50 2.07 -1.28 -1.68 116.25 115.30 3i8f h VAL 30 Ca -0.00 -0.52 0.20 0.00 0.82 0.00 0.00 66.70 67.20 3i8f h VAL 30 Cb 0.91 0.40 -0.12 0.00 -1.52 0.00 0.00 31.29 30.96 3i8f h VAL 30 CO 0.03 0.05 0.28 -0.07 0.02 0.00 0.00 177.57 177.88 3i8f h LEU 31 N -1.06 0.16 -0.39 2.57 3.38 -1.50 0.39 115.31 118.86 3i8f h LEU 31 Ca -0.07 0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3i8f h LEU 31 Cb 0.58 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 3i8f h LEU 31 CO 0.11 -0.03 -0.05 0.50 0.09 0.00 0.00 178.44 179.06 3i8f h LYS 32 N 0.33 0.05 0.42 1.13 1.63 -1.24 0.91 116.57 119.80 3i8f h LYS 32 Ca 0.50 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.28 3i8f h LYS 32 Cb 0.92 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.54 3i8f h LYS 32 CO -0.54 0.03 -0.20 0.00 -3.45 0.00 0.00 179.45 175.29 3i8f h ARG 33 N 0.05 -0.54 -1.00 1.90 3.08 -0.08 -2.12 114.38 115.67 3i8f h ARG 33 Ca 0.19 0.04 0.32 0.00 0.07 0.00 0.00 59.98 60.59 3i8f h ARG 33 Cb 0.28 0.12 -0.15 0.00 0.08 0.00 0.00 29.97 30.31 3i8f h ARG 33 CO -0.36 -0.24 0.57 0.00 -1.07 0.00 0.00 179.97 178.87 3i8f h ARG 34 N -0.99 0.33 0.31 0.04 3.08 -0.82 0.66 114.38 117.00 3i8f h ARG 34 Ca -0.06 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3i8f h ARG 34 Cb 0.55 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3i8f h ARG 34 CO 0.09 0.22 -0.15 0.00 -1.07 0.00 0.00 179.97 179.06 3i8f h ARG 35 N 0.34 -0.41 -0.99 0.04 3.08 -0.73 -1.78 114.38 113.93 3i8f h ARG 35 Ca 0.73 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.91 3i8f h ARG 35 Cb 1.64 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 31.71 3i8f h ARG 35 CO -0.60 -0.13 0.63 1.96 -1.07 0.00 0.00 179.97 180.77 3i8f h GLN 36 N -0.67 1.02 0.00 0.04 4.20 0.50 0.56 115.11 120.76 3i8f h GLN 36 Ca -0.04 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3i8f h GLN 36 Cb 0.47 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3i8f h GLN 36 CO 0.07 0.67 0.00 1.17 -0.67 0.00 0.00 178.83 180.07 3i8f n LYS 37 N -4.57 0.13 -0.02 1.46 4.81 0.18 -4.88 118.16 115.27 3i8f n LYS 37 Ca 0.17 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 3i8f n LYS 37 Cb 0.29 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.61 3i8f n LYS 37 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i8f n GLY 38 N 0.12 1.07 2.14 3.14 0.00 0.19 -4.99 105.19 106.85 3i8f n GLY 38 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3i8f n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f n ARG 39 N -2.00 0.00 -0.30 1.61 5.12 -0.84 -4.80 116.66 115.44 3i8f n ARG 39 Ca 0.00 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.88 3i8f n ARG 39 Cb 0.00 -0.86 0.08 0.00 -1.16 0.00 0.00 32.46 30.52 3i8f n ARG 39 CO 0.00 0.00 0.00 -1.49 -1.93 0.00 0.00 177.63 174.21 3i8f h TRP 40 N 2.77 1.03 -3.54 -1.55 4.06 -1.94 -3.39 115.95 113.40 3i8f h TRP 40 Ca -0.26 0.02 -0.64 0.00 2.06 0.00 0.00 58.89 60.07 3i8f h TRP 40 Cb 0.79 -0.35 -0.22 0.00 -1.00 0.00 0.00 29.16 28.38 3i8f h TRP 40 CO 0.37 0.64 -0.63 1.03 -3.56 0.00 0.00 178.44 176.29 3i8f s ARG 41 N -6.13 3.67 0.28 0.49 3.00 -1.26 -4.97 118.95 114.03 3i8f s ARG 41 Ca -0.13 -0.48 0.18 0.00 0.00 0.00 0.00 55.73 55.30 3i8f s ARG 41 Cb 0.16 -3.23 0.10 0.00 0.00 0.00 0.00 34.95 31.98 3i8f s ARG 41 CO 0.79 -0.08 1.35 -0.07 0.00 0.00 0.00 175.30 177.30 3i8f h LEU 42 N 7.84 0.00 -8.50 2.53 3.38 -1.96 -3.46 115.31 115.14 3i8f h LEU 42 Ca -0.37 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.26 3i8f h LEU 42 Cb 1.17 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.75 3i8f h LEU 42 CO 0.60 0.32 -0.73 -0.89 0.09 0.00 0.00 178.44 177.83 3i8f s THR 43 N -3.07 1.02 -0.13 0.22 2.01 -1.26 -4.85 115.64 109.59 3i8f s THR 43 Ca 0.03 -1.71 -0.29 0.00 0.31 0.00 0.00 61.69 60.03 3i8f s THR 43 Cb 0.07 -1.45 -0.07 0.00 0.01 0.00 0.00 72.50 71.06 3i8f s THR 43 CO 0.74 -0.56 2.12 -2.65 -0.69 0.00 0.00 174.62 173.58 3i8f n PRO 44 N 0.46 2.23 -1.69 4.92 -0.02 -1.26 -4.86 135.00 134.78 3i8f n PRO 44 Ca -0.15 0.71 -0.44 0.00 -2.02 0.00 0.00 63.50 61.60 3i8f n PRO 44 Cb 0.58 -3.09 -0.04 0.00 -0.02 0.00 0.00 33.50 30.93 3i8f n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i8f n ALA 45 N 9.95 2.06 -3.64 3.55 0.00 -1.26 -4.97 120.51 126.21 3i8f n ALA 45 Ca 0.27 0.41 -0.10 0.00 0.00 0.00 0.00 53.44 54.02 3i8f n ALA 45 Cb 0.42 -2.45 -0.07 0.00 0.00 0.00 0.00 19.45 17.35 3i8f n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i8f s VAL 46 N 1.26 0.00 0.08 0.00 1.01 -1.26 -5.14 120.40 116.35 3i8f s VAL 46 Ca 0.78 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.83 3i8f s VAL 46 Cb -0.59 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3i8f s VAL 46 CO 0.36 0.00 -0.18 -0.13 0.00 0.00 0.00 175.10 175.15 3i8f s ARG 47 N 0.93 1.03 0.00 2.72 3.00 -1.26 -5.07 118.95 120.29 3i8f s ARG 47 Ca -0.04 -1.06 0.00 0.00 0.00 0.00 0.00 55.73 54.63 3i8f s ARG 47 Cb -0.05 -1.18 0.00 0.00 0.00 0.00 0.00 34.95 33.72 3i8f s ARG 47 CO -0.09 0.27 0.00 0.36 0.00 0.00 0.00 175.30 175.85 3i8f n LYS 48 N 1.24 0.00 0.00 3.54 -0.00 -1.26 -5.05 118.16 116.63 3i8f n LYS 48 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 3i8f n LYS 48 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.57 3i8f n LYS 48 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29