#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6e s MET 2 N 0.00 3.66 -0.30 -0.41 1.00 -1.26 -4.87 119.30 117.12 1l6e s MET 2 Ca 0.00 -1.49 -0.23 0.00 0.00 0.00 0.00 55.69 53.97 1l6e s MET 2 Cb 0.00 -5.23 0.19 0.00 0.00 0.00 0.00 34.83 29.79 1l6e s MET 2 CO 0.00 -2.06 1.37 0.20 0.00 0.00 0.00 175.02 174.53 1l6e s GLY 3 N 4.37 0.38 -0.14 -0.03 0.00 -1.26 -5.07 107.32 105.58 1l6e s GLY 3 Ca 0.43 3.54 0.10 0.00 0.00 0.00 0.00 44.72 48.79 1l6e s GLY 3 CO -0.07 2.13 1.21 -2.39 0.00 0.00 0.00 173.10 173.98 1l6e n HIS 4 N 1.98 -0.53 -4.24 1.90 -0.00 -1.26 -5.13 115.22 107.94 1l6e n HIS 4 Ca -0.12 -1.07 -0.20 0.00 -0.00 0.00 0.00 57.72 56.33 1l6e n HIS 4 Cb 0.57 0.67 -0.03 0.00 -0.00 0.00 0.00 29.99 31.20 1l6e n HIS 4 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 1l6e n ILE 5 N -0.49 0.00 -1.23 0.61 3.06 -1.26 -5.16 119.36 114.88 1l6e n ILE 5 Ca -0.16 -1.49 0.00 0.00 -2.50 0.00 0.00 62.75 58.60 1l6e n ILE 5 Cb 0.83 0.14 0.00 0.00 0.54 0.00 0.00 39.64 41.15 1l6e n ILE 5 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1l6e n GLN 6 N -0.98 3.67 -0.33 9.51 6.02 -1.26 -5.04 117.38 128.98 1l6e n GLN 6 Ca -0.10 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.78 1l6e n GLN 6 Cb 0.41 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.66 1l6e n GLN 6 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1l6e n ILE 7 N 0.00 0.34 -1.08 5.09 2.08 -1.26 -4.85 119.36 119.68 1l6e n ILE 7 Ca 0.00 -0.09 -0.29 0.00 0.56 0.00 0.00 62.75 62.93 1l6e n ILE 7 Cb 0.00 0.00 0.22 0.00 -0.75 0.00 0.00 39.64 39.11 1l6e n ILE 7 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1l6e s PRO 8 N -0.17 -0.72 0.00 0.38 0.04 -1.26 -5.05 135.00 128.21 1l6e s PRO 8 Ca 0.16 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1l6e s PRO 8 Cb -0.23 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1l6e s PRO 8 CO 0.13 -3.43 0.00 -0.35 0.04 0.00 0.00 177.00 173.39 1l6e n PRO 9 N -4.60 2.09 0.00 0.56 -0.04 -1.26 -4.45 135.00 127.31 1l6e n PRO 9 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1l6e n PRO 9 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1l6e n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1l6e n GLY 10 N 1.70 0.00 0.31 0.55 0.00 -1.26 -3.89 105.19 102.60 1l6e n GLY 10 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1l6e n GLY 10 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1l6e n LEU 11 N 0.04 -0.58 0.04 0.99 -0.00 -1.26 0.69 117.00 116.91 1l6e n LEU 11 Ca 0.00 1.38 -0.02 0.00 -0.00 0.00 0.00 56.01 57.38 1l6e n LEU 11 Cb 0.00 -0.29 -0.01 0.00 -0.00 0.00 0.00 43.42 43.12 1l6e n LEU 11 CO 0.00 -1.22 0.29 0.74 -0.00 0.00 0.00 177.39 177.21 1l6e h THR 12 N 0.00 0.00 -0.85 1.96 2.02 -1.90 -1.89 112.91 112.26 1l6e h THR 12 Ca 0.24 -0.05 0.23 0.00 0.77 0.00 0.00 66.41 67.60 1l6e h THR 12 Cb 0.44 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.69 1l6e h THR 12 CO -0.78 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 174.50 1l6e n GLU 13 N -2.43 -0.07 0.30 6.66 1.02 -0.83 0.05 120.64 125.35 1l6e n GLU 13 Ca -0.01 1.27 -0.16 0.00 -0.02 0.00 0.00 57.16 58.24 1l6e n GLU 13 Cb 0.04 -2.01 -0.08 0.00 -0.02 0.00 0.00 31.44 29.37 1l6e n GLU 13 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1l6e h LEU 14 N 0.00 -0.64 0.00 -4.62 3.38 0.23 -1.86 115.31 111.79 1l6e h LEU 14 Ca 0.51 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1l6e h LEU 14 Cb 1.03 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1l6e h LEU 14 CO -0.80 -0.37 0.00 -0.11 0.09 0.00 0.00 178.44 177.25 1l6e n LEU 15 N -5.37 0.00 -0.32 1.67 -0.00 0.11 0.01 117.00 113.10 1l6e n LEU 15 Ca -0.12 0.92 0.14 0.00 -0.00 0.00 0.00 56.01 56.95 1l6e n LEU 15 Cb 0.33 -0.42 0.29 0.00 -0.00 0.00 0.00 43.42 43.61 1l6e n LEU 15 CO 0.35 -0.42 0.84 1.56 -0.00 0.00 0.00 177.39 179.72 1l6e h GLN 16 N 0.00 0.06 -0.45 1.96 7.50 -1.48 1.08 115.11 123.77 1l6e h GLN 16 Ca 0.00 -0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.18 1l6e h GLN 16 Cb 0.00 -0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.48 1l6e h GLN 16 CO 0.00 0.04 0.23 0.78 -1.50 0.00 0.00 178.83 178.38 1l6e h GLY 17 N 0.06 0.63 0.74 3.46 0.00 -0.18 0.38 103.07 108.16 1l6e h GLY 17 Ca 0.58 -0.16 -0.10 0.00 0.00 0.00 0.00 47.33 47.65 1l6e h GLY 17 CO -0.83 0.12 -0.31 -1.82 0.00 0.00 0.00 176.54 173.69 1l6e h TYR 18 N 0.46 0.51 -0.23 5.60 3.20 0.42 -2.84 116.97 124.09 1l6e h TYR 18 Ca 0.20 -0.20 0.05 0.00 3.14 0.00 0.00 58.73 61.91 1l6e h TYR 18 Cb 0.09 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1l6e h TYR 18 CO -0.10 0.93 0.16 1.15 -1.64 0.00 0.00 178.16 178.66 1l6e h THR 19 N -0.06 0.94 0.00 1.81 2.02 0.11 -0.04 112.91 117.70 1l6e h THR 19 Ca -0.01 -0.04 -0.13 0.00 0.77 0.00 0.00 66.41 67.01 1l6e h THR 19 Cb 0.93 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1l6e h THR 19 CO 0.07 0.02 -0.60 0.58 0.37 0.00 0.00 175.52 175.96 1l6e h VAL 20 N 0.11 1.39 0.00 3.16 2.07 -0.11 -2.80 116.25 120.06 1l6e h VAL 20 Ca 0.10 -2.08 -0.10 0.00 0.82 0.00 0.00 66.70 65.44 1l6e h VAL 20 Cb 0.28 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1l6e h VAL 20 CO -0.01 0.59 -0.49 -0.33 0.02 0.00 0.00 177.57 177.34 1l6e h GLU 21 N 0.00 0.00 -0.05 1.57 5.08 -0.78 -1.58 114.58 118.82 1l6e h GLU 21 Ca -0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 1l6e h GLU 21 Cb 1.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1l6e h GLU 21 CO 0.08 0.49 -0.79 0.28 -1.00 0.00 0.00 179.01 178.07 1l6e h VAL 22 N 0.00 1.39 0.00 3.13 2.07 -1.21 -0.67 116.25 120.95 1l6e h VAL 22 Ca -0.00 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.27 1l6e h VAL 22 Cb 1.02 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1l6e h VAL 22 CO 0.06 0.67 -0.37 -0.07 0.02 0.00 0.00 177.57 177.88 1l6e h LEU 23 N 0.25 0.00 0.00 2.57 3.38 -1.38 -1.71 115.31 118.42 1l6e h LEU 23 Ca -0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1l6e h LEU 23 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1l6e h LEU 23 CO 0.13 0.02 -0.21 0.54 0.09 0.00 0.00 178.44 179.01 1l6e n ARG 24 N -2.66 0.16 0.17 1.13 5.12 -0.60 -4.55 116.66 115.43 1l6e n ARG 24 Ca 0.03 0.29 0.08 0.00 -1.93 0.00 0.00 57.85 56.32 1l6e n ARG 24 Cb 0.50 -1.02 0.09 0.00 -1.16 0.00 0.00 32.46 30.87 1l6e n ARG 24 CO 0.00 0.00 0.00 -0.56 -1.93 0.00 0.00 177.63 175.14 1l6e h GLN 25 N -0.35 0.00 -6.47 5.56 3.07 -1.33 -3.49 115.11 112.11 1l6e h GLN 25 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.43 1l6e h GLN 25 Cb 0.21 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.79 1l6e h GLN 25 CO 0.00 0.21 -1.15 1.04 0.09 0.00 0.00 178.83 179.01 1l6e n GLN 26 N -3.11 -1.67 -1.15 0.06 1.13 -0.64 -4.90 117.38 107.09 1l6e n GLN 26 Ca 0.02 1.35 -0.29 0.00 -1.94 0.00 0.00 57.00 56.14 1l6e n GLN 26 Cb 0.62 -2.01 0.20 0.00 0.11 0.00 0.00 30.24 29.16 1l6e n GLN 26 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1l6e s PRO 27 N -2.19 -0.06 0.06 -1.09 0.04 -1.26 -4.97 135.00 125.52 1l6e s PRO 27 Ca 0.31 0.34 -0.18 0.00 0.04 0.00 0.00 61.00 61.50 1l6e s PRO 27 Cb -0.03 -1.70 -0.12 0.00 0.04 0.00 0.00 34.50 32.69 1l6e s PRO 27 CO 0.72 -3.02 1.38 -1.00 0.04 0.00 0.00 177.00 175.12 1l6e h PRO 28 N -2.10 0.47 -4.40 0.56 0.13 -2.00 -3.43 132.00 121.23 1l6e h PRO 28 Ca -0.53 -0.24 -0.53 0.00 -0.87 0.00 0.00 66.00 63.84 1l6e h PRO 28 Cb 1.32 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.11 1l6e h PRO 28 CO 0.52 0.81 -0.81 -0.51 -0.23 0.00 0.00 178.00 177.78 1l6e s ASP 29 N -6.24 2.04 -0.00 1.44 1.11 -1.26 -5.06 116.67 108.70 1l6e s ASP 29 Ca -0.14 -0.32 -0.04 0.00 0.18 0.00 0.00 52.55 52.24 1l6e s ASP 29 Cb 0.06 -0.86 -0.02 0.00 1.07 0.00 0.00 42.92 43.17 1l6e s ASP 29 CO 0.78 -0.05 0.56 0.25 1.18 0.00 0.00 175.17 177.89 1l6e h LEU 30 N 7.63 -0.13 -0.31 1.23 6.46 -1.97 -1.46 115.31 126.76 1l6e h LEU 30 Ca -0.31 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.48 1l6e h LEU 30 Cb 1.16 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 41.08 1l6e h LEU 30 CO 0.45 -0.04 -0.18 0.52 -0.62 0.00 0.00 178.44 178.57 1l6e n VAL 31 N -2.72 -0.21 -0.06 1.05 0.31 -1.26 0.22 118.33 115.66 1l6e n VAL 31 Ca -0.02 0.83 -0.10 0.00 -0.01 0.00 0.00 64.34 65.04 1l6e n VAL 31 Cb 0.06 -1.04 -0.04 0.00 -0.91 0.00 0.00 33.84 31.92 1l6e n VAL 31 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1l6e h ASP 32 N 0.00 0.29 0.53 4.52 3.58 -1.99 -0.15 116.42 123.20 1l6e h ASP 32 Ca 0.05 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 1l6e h ASP 32 Cb 0.13 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.11 1l6e h ASP 32 CO -0.29 0.34 -0.26 0.15 -2.88 0.00 0.00 179.24 176.30 1l6e h PHE 33 N 0.21 -0.66 -0.26 0.28 3.57 0.39 0.72 116.94 121.19 1l6e h PHE 33 Ca 0.07 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1l6e h PHE 33 Cb 0.13 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1l6e h PHE 33 CO -0.02 -0.41 0.29 0.00 -2.23 0.00 0.00 178.31 175.94 1l6e h ALA 34 N -0.26 1.91 0.07 2.41 0.00 0.20 -0.19 119.26 123.40 1l6e h ALA 34 Ca -0.07 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1l6e h ALA 34 Cb 0.56 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1l6e h ALA 34 CO 0.12 -0.42 -0.90 0.28 0.00 0.00 0.00 179.25 178.33 1l6e h VAL 35 N 0.00 1.30 -0.81 0.00 2.07 0.12 -3.00 116.25 115.94 1l6e h VAL 35 Ca 0.12 -2.38 0.03 0.00 0.82 0.00 0.00 66.70 65.30 1l6e h VAL 35 Cb 0.70 2.90 -0.05 0.00 -1.52 0.00 0.00 31.29 33.31 1l6e h VAL 35 CO -0.00 0.61 0.52 1.05 0.02 0.00 0.00 177.57 179.77 1l6e h GLU 36 N -0.62 0.98 0.17 1.57 4.11 0.14 0.26 114.58 121.19 1l6e h GLU 36 Ca -0.20 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.16 1l6e h GLU 36 Cb 1.46 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1l6e h GLU 36 CO 0.01 0.65 -0.08 -0.92 0.07 0.00 0.00 179.01 178.74 1l6e h TYR 37 N 1.01 -0.21 -0.67 2.06 3.20 -1.20 -1.51 116.97 119.64 1l6e h TYR 37 Ca 0.32 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.33 1l6e h TYR 37 Cb 0.01 0.07 -0.11 0.00 1.54 0.00 0.00 36.73 38.25 1l6e h TYR 37 CO -0.03 -0.13 0.08 0.74 -1.64 0.00 0.00 178.16 177.18 1l6e h PHE 38 N -0.29 0.09 -0.95 -3.82 0.04 -1.51 0.18 116.94 110.68 1l6e h PHE 38 Ca -0.02 0.04 0.11 0.00 2.80 0.00 0.00 57.97 60.90 1l6e h PHE 38 Cb 0.18 0.06 -0.08 0.00 2.20 0.00 0.00 35.95 38.31 1l6e h PHE 38 CO 0.13 -0.13 0.61 1.15 -0.60 0.00 0.00 178.31 179.47 1l6e h THR 39 N 0.18 0.93 -0.32 -1.55 2.02 -0.49 -0.03 112.91 113.65 1l6e h THR 39 Ca 0.36 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 67.15 1l6e h THR 39 Cb 0.60 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1l6e h THR 39 CO -0.52 0.17 -0.12 -0.09 0.37 0.00 0.00 175.52 175.32 1l6e h ARG 40 N 0.93 0.55 -0.53 6.66 2.43 0.43 -2.53 114.38 122.32 1l6e h ARG 40 Ca 0.46 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 1l6e h ARG 40 Cb 0.47 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1l6e h ARG 40 CO -0.22 0.66 0.08 -0.07 -1.51 0.00 0.00 179.97 178.91 1l6e h LEU 41 N 0.50 0.85 -1.62 3.80 4.07 -0.38 0.33 115.31 122.86 1l6e h LEU 41 Ca 0.09 -0.26 -0.04 0.00 0.08 0.00 0.00 57.88 57.75 1l6e h LEU 41 Cb 0.52 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1l6e h LEU 41 CO 0.03 0.90 -0.18 0.08 -1.08 0.00 0.00 178.44 178.19 1l6e h ARG 42 N 0.77 0.00 0.00 1.13 -0.00 -1.19 -2.07 114.38 113.02 1l6e h ARG 42 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.14 1l6e h ARG 42 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.38 1l6e h ARG 42 CO 0.01 0.18 -0.80 -1.91 -0.00 0.00 0.00 179.97 177.45 1l6e n GLU 43 N -3.62 0.02 0.00 0.08 4.07 -0.89 -4.57 120.64 115.72 1l6e n GLU 43 Ca -0.01 -0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1l6e n GLU 43 Cb 0.31 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 1l6e n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1l6e n ALA 44 N -1.52 0.00 0.00 4.31 0.00 0.11 -4.83 120.51 118.58 1l6e n ALA 44 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1l6e n ALA 44 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1l6e n ALA 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1l6e n ARG 45 N -1.40 0.00 0.00 0.00 3.00 -1.14 -5.09 116.66 112.02 1l6e n ARG 45 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1l6e n ARG 45 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 32.46 32.60 1l6e n ARG 45 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52