#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6e n MET 2 N 0.00 0.01 0.00 -0.41 0.00 -1.26 -5.15 117.12 110.32 1l6e n MET 2 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.71 1l6e n MET 2 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 33.22 32.64 1l6e n MET 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1l6e n GLY 3 N 3.01 -0.54 3.88 -5.12 0.00 -1.26 -5.14 105.19 100.02 1l6e n GLY 3 Ca -0.01 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1l6e n GLY 3 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1l6e s HIS 4 N 0.00 1.72 0.00 1.61 0.00 -1.26 -5.15 115.29 112.21 1l6e s HIS 4 Ca 0.00 -0.84 0.00 0.00 -3.00 0.00 0.00 55.06 51.22 1l6e s HIS 4 Cb 0.00 -1.88 0.00 0.00 -4.00 0.00 0.00 32.58 26.70 1l6e s HIS 4 CO 0.00 -0.34 0.00 1.51 -1.00 0.00 0.00 174.74 174.91 1l6e n ILE 5 N -1.66 0.00 -3.53 -5.38 0.13 -1.26 -5.18 119.36 102.48 1l6e n ILE 5 Ca -0.04 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.48 1l6e n ILE 5 Cb 0.65 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 39.40 1l6e n ILE 5 CO 0.00 0.00 0.00 -1.58 2.80 0.00 0.00 176.55 177.77 1l6e s GLN 6 N -1.01 0.87 -0.18 9.51 0.74 -1.26 -5.15 119.66 123.18 1l6e s GLN 6 Ca 0.00 0.05 -0.04 0.00 0.05 0.00 0.00 55.36 55.41 1l6e s GLN 6 Cb 0.00 0.41 0.09 0.00 1.10 0.00 0.00 33.01 34.61 1l6e s GLN 6 CO 0.00 -0.31 0.30 0.42 -0.55 0.00 0.00 175.29 175.15 1l6e s ILE 7 N -1.75 -0.47 0.43 -2.34 -1.09 -1.26 -5.14 121.20 109.58 1l6e s ILE 7 Ca -0.04 0.08 -0.24 0.00 -2.23 0.00 0.00 60.65 58.23 1l6e s ILE 7 Cb -0.00 -0.62 -0.08 0.00 -1.58 0.00 0.00 42.46 40.18 1l6e s ILE 7 CO 0.01 -0.03 1.14 -2.16 -1.23 0.00 0.00 174.94 172.68 1l6e s PRO 8 N 2.45 3.93 0.65 2.79 0.04 -1.26 -5.02 135.00 138.58 1l6e s PRO 8 Ca 0.05 1.73 -0.13 0.00 0.04 0.00 0.00 61.00 62.68 1l6e s PRO 8 Cb -0.14 -2.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 1l6e s PRO 8 CO -0.12 -0.40 1.06 -1.25 0.04 0.00 0.00 177.00 176.34 1l6e s PRO 9 N -2.55 3.06 0.00 0.56 0.04 -1.26 -3.53 135.00 131.31 1l6e s PRO 9 Ca 0.61 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1l6e s PRO 9 Cb -0.27 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1l6e s PRO 9 CO 0.34 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.78 1l6e n GLY 10 N -1.38 2.77 0.25 0.56 0.00 -1.26 -4.85 105.19 101.28 1l6e n GLY 10 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1l6e n GLY 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1l6e h LEU 11 N 0.00 -0.57 -1.71 0.99 5.85 -1.98 -1.54 115.31 116.35 1l6e h LEU 11 Ca 0.00 0.05 0.24 0.00 0.84 0.00 0.00 57.88 59.01 1l6e h LEU 11 Cb 0.00 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1l6e h LEU 11 CO 0.00 -0.32 0.63 0.00 -0.34 0.00 0.00 178.44 178.40 1l6e h THR 12 N -0.47 0.60 0.49 1.05 1.03 -1.89 -1.42 112.91 112.31 1l6e h THR 12 Ca -0.01 -0.08 -0.02 0.00 -0.01 0.00 0.00 66.41 66.29 1l6e h THR 12 Cb 0.44 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 67.88 1l6e h THR 12 CO -0.04 0.04 -0.23 -0.08 -0.01 0.00 0.00 175.52 175.20 1l6e h GLU 13 N 0.23 -0.63 0.33 0.00 4.22 -1.68 0.11 114.58 117.15 1l6e h GLU 13 Ca 0.47 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.95 1l6e h GLU 13 Cb 1.45 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.81 1l6e h GLU 13 CO -0.12 -0.37 -0.44 -0.07 -2.18 0.00 0.00 179.01 175.84 1l6e h LEU 14 N -0.76 -1.23 -0.39 1.64 3.38 -1.03 -2.55 115.31 114.36 1l6e h LEU 14 Ca -0.07 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1l6e h LEU 14 Cb 0.55 0.43 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 1l6e h LEU 14 CO 0.11 -0.56 -0.12 -0.07 0.09 0.00 0.00 178.44 177.89 1l6e h LEU 15 N -0.81 -0.44 -0.80 1.67 3.38 -1.46 -2.15 115.31 114.70 1l6e h LEU 15 Ca -0.02 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.17 1l6e h LEU 15 Cb 0.75 0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.66 1l6e h LEU 15 CO -0.13 -0.16 -0.51 -0.61 0.09 0.00 0.00 178.44 177.12 1l6e h GLN 16 N -0.03 -0.12 -0.78 1.13 4.15 -0.57 0.48 115.11 119.37 1l6e h GLN 16 Ca 0.19 0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.78 1l6e h GLN 16 Cb 0.32 0.03 -0.15 0.00 0.21 0.00 0.00 27.48 27.89 1l6e h GLN 16 CO -0.42 -0.08 -0.16 0.78 -1.93 0.00 0.00 178.83 177.02 1l6e h GLY 17 N -0.12 0.61 -0.60 2.39 0.00 -1.06 -0.75 103.07 103.54 1l6e h GLY 17 Ca 0.18 0.24 0.06 0.00 0.00 0.00 0.00 47.33 47.81 1l6e h GLY 17 CO -0.83 -0.30 -0.39 -1.82 0.00 0.00 0.00 176.54 173.20 1l6e h TYR 18 N 0.01 -1.25 -1.06 5.60 3.20 0.10 1.19 116.97 124.77 1l6e h TYR 18 Ca 0.38 0.08 0.28 0.00 3.14 0.00 0.00 58.73 62.61 1l6e h TYR 18 Cb 0.60 0.63 -0.09 0.00 1.54 0.00 0.00 36.73 39.41 1l6e h TYR 18 CO -0.59 -0.26 0.69 1.15 -1.64 0.00 0.00 178.16 177.51 1l6e h THR 19 N -0.05 0.50 0.00 1.81 2.02 -0.99 1.13 112.91 117.34 1l6e h THR 19 Ca 0.10 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 1l6e h THR 19 Cb 0.30 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 1l6e h THR 19 CO -0.59 0.06 -0.36 0.58 0.37 0.00 0.00 175.52 175.58 1l6e h VAL 20 N 0.32 0.81 0.00 3.16 2.07 0.16 -2.83 116.25 119.95 1l6e h VAL 20 Ca 0.59 -1.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 1l6e h VAL 20 Cb 1.63 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 1l6e h VAL 20 CO -0.25 0.36 -0.83 -0.62 0.02 0.00 0.00 177.57 176.25 1l6e n GLU 21 N -3.45 0.49 -0.13 1.57 1.02 0.34 -2.66 120.64 117.82 1l6e n GLU 21 Ca 0.00 0.52 0.28 0.00 -0.02 0.00 0.00 57.16 57.94 1l6e n GLU 21 Cb 0.53 -1.69 0.71 0.00 -0.02 0.00 0.00 31.44 30.97 1l6e n GLU 21 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1l6e h VAL 22 N -1.00 0.37 0.09 2.62 2.07 -0.23 0.77 116.25 120.94 1l6e h VAL 22 Ca -0.13 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.07 1l6e h VAL 22 Cb 0.81 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1l6e h VAL 22 CO -0.08 0.00 -1.77 -0.07 0.02 0.00 0.00 177.57 175.67 1l6e h LEU 23 N 0.00 0.30 0.02 2.57 3.38 -1.65 -0.75 115.31 119.18 1l6e h LEU 23 Ca 0.39 -0.57 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1l6e h LEU 23 Cb 1.81 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1l6e h LEU 23 CO -0.00 1.50 -0.21 0.03 0.09 0.00 0.00 178.44 179.85 1l6e h ARG 24 N 0.05 0.11 0.00 1.13 -0.00 -0.40 -3.34 114.38 111.94 1l6e h ARG 24 Ca -0.33 -0.14 -0.07 0.00 -0.50 0.00 0.00 59.98 58.94 1l6e h ARG 24 Cb 2.03 0.05 -0.01 0.00 0.00 0.00 0.00 29.97 32.03 1l6e h ARG 24 CO 0.11 0.96 -1.02 1.96 0.00 0.00 0.00 179.97 181.98 1l6e h GLN 25 N -0.67 0.00 -6.28 0.04 1.08 0.19 -3.49 115.11 105.98 1l6e h GLN 25 Ca -0.03 0.00 -0.39 0.00 -1.45 0.00 0.00 58.65 56.78 1l6e h GLN 25 Cb 1.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1l6e h GLN 25 CO 0.04 0.15 -0.95 1.04 -0.95 0.00 0.00 178.83 178.16 1l6e n GLN 26 N -2.84 -1.36 -1.20 1.46 1.13 -0.29 -4.85 117.38 109.43 1l6e n GLN 26 Ca -0.03 0.76 -0.31 0.00 -1.94 0.00 0.00 57.00 55.48 1l6e n GLN 26 Cb 0.67 -1.77 0.10 0.00 0.11 0.00 0.00 30.24 29.35 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 -3.81 2.01 0.25 -1.09 0.04 -1.26 -4.91 135.00 126.23 1l6e s PRO 27 Ca 0.09 1.16 0.23 0.00 0.04 0.00 0.00 61.00 62.52 1l6e s PRO 27 Cb -0.01 -1.87 0.98 0.00 0.04 0.00 0.00 34.50 33.64 1l6e s PRO 27 CO 0.74 -1.82 1.70 -0.35 0.04 0.00 0.00 177.00 177.31 1l6e n PRO 28 N -3.64 0.19 -3.62 0.56 -0.04 -1.26 -4.62 135.00 122.57 1l6e n PRO 28 Ca 0.09 0.43 -0.01 0.00 -0.04 0.00 0.00 63.50 63.97 1l6e n PRO 28 Cb 0.53 -1.87 -0.04 0.00 -0.04 0.00 0.00 33.50 32.09 1l6e n PRO 28 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1l6e s ASP 29 N -4.20 -1.12 0.06 3.54 1.01 -1.26 -5.07 116.67 109.63 1l6e s ASP 29 Ca 0.04 1.51 -0.32 0.00 0.71 0.00 0.00 52.55 54.48 1l6e s ASP 29 Cb 0.09 2.26 -0.17 0.00 1.01 0.00 0.00 42.92 46.11 1l6e s ASP 29 CO 0.38 -0.21 1.49 0.25 0.21 0.00 0.00 175.17 177.29 1l6e h LEU 30 N 7.97 -1.08 -0.00 1.23 5.85 -1.98 -0.43 115.31 126.87 1l6e h LEU 30 Ca -0.18 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1l6e h LEU 30 Cb 1.10 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 1l6e h LEU 30 CO 0.10 -0.67 -0.00 0.52 -0.34 0.00 0.00 178.44 178.05 1l6e n VAL 31 N -5.17 -0.00 -0.30 1.05 0.31 -1.26 0.14 118.33 113.10 1l6e n VAL 31 Ca -0.13 1.02 0.06 0.00 -0.01 0.00 0.00 64.34 65.28 1l6e n VAL 31 Cb 0.45 -1.36 0.20 0.00 -0.91 0.00 0.00 33.84 32.22 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 0.59 -0.95 4.52 1.82 -1.99 -0.10 116.42 120.31 1l6e h ASP 32 Ca 0.00 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1l6e h ASP 32 Cb 0.00 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 39.94 1l6e h ASP 32 CO -0.00 0.29 0.60 0.15 -1.61 0.00 0.00 179.24 178.67 1l6e h PHE 33 N 0.69 1.23 -0.83 0.28 3.57 0.28 -1.82 116.94 120.33 1l6e h PHE 33 Ca 0.44 0.01 0.06 0.00 3.53 0.00 0.00 57.97 62.01 1l6e h PHE 33 Cb 0.55 -0.41 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 1l6e h PHE 33 CO -0.08 0.80 0.55 0.00 -2.23 0.00 0.00 178.31 177.34 1l6e h ALA 34 N 1.33 1.56 -0.05 2.41 0.00 0.31 -1.98 119.26 122.84 1l6e h ALA 34 Ca 0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1l6e h ALA 34 Cb -0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1l6e h ALA 34 CO -0.07 0.32 -0.07 0.28 0.00 0.00 0.00 179.25 179.71 1l6e h VAL 35 N 0.95 1.40 0.17 0.00 2.07 -1.03 -2.44 116.25 117.37 1l6e h VAL 35 Ca 0.35 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.59 1l6e h VAL 35 Cb 0.18 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1l6e h VAL 35 CO -0.12 0.36 -0.36 -0.33 0.02 0.00 0.00 177.57 177.13 1l6e h GLU 36 N -0.34 -0.60 0.63 1.57 4.39 -0.99 1.01 114.58 120.25 1l6e h GLU 36 Ca 0.01 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1l6e h GLU 36 Cb 0.61 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1l6e h GLU 36 CO 0.02 -0.40 -0.44 -0.92 -1.16 0.00 0.00 179.01 176.11 1l6e h TYR 37 N -0.62 -1.18 0.37 4.33 3.20 -1.46 0.36 116.97 121.97 1l6e h TYR 37 Ca 0.02 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1l6e h TYR 37 Cb 0.63 0.43 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1l6e h TYR 37 CO -0.30 -0.64 -0.18 0.74 -1.64 0.00 0.00 178.16 176.14 1l6e h PHE 38 N -1.03 -0.47 -0.94 -3.82 0.04 -1.33 0.51 116.94 109.90 1l6e h PHE 38 Ca -0.08 -0.01 0.18 0.00 2.80 0.00 0.00 57.97 60.86 1l6e h PHE 38 Cb 0.85 0.15 -0.08 0.00 2.20 0.00 0.00 35.95 39.07 1l6e h PHE 38 CO -0.14 -0.29 0.60 1.15 -0.60 0.00 0.00 178.31 179.03 1l6e h THR 39 N -0.50 0.73 0.21 -1.55 2.02 0.11 -1.31 112.91 112.62 1l6e h THR 39 Ca -0.05 -0.21 -0.31 0.00 0.77 0.00 0.00 66.41 66.61 1l6e h THR 39 Cb 0.39 0.06 0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1l6e h THR 39 CO 0.08 0.11 -1.34 0.03 0.37 0.00 0.00 175.52 174.77 1l6e h ARG 40 N 0.62 0.53 -1.12 6.66 3.08 -0.46 -3.24 114.38 120.45 1l6e h ARG 40 Ca 0.50 -0.86 0.33 0.00 0.07 0.00 0.00 59.98 60.02 1l6e h ARG 40 Cb 0.95 0.31 -0.04 0.00 0.08 0.00 0.00 29.97 31.27 1l6e h ARG 40 CO -0.25 1.41 0.85 1.25 -1.07 0.00 0.00 179.97 182.15 1l6e h LEU 41 N 0.11 0.00 -0.29 3.04 6.46 0.12 0.26 115.31 125.01 1l6e h LEU 41 Ca -0.23 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.48 1l6e h LEU 41 Cb 2.05 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.97 1l6e h LEU 41 CO 0.25 0.00 -0.01 0.03 -0.62 0.00 0.00 178.44 178.09 1l6e h ARG 42 N 0.00 0.52 0.00 1.25 2.47 -1.52 -2.69 114.38 114.41 1l6e h ARG 42 Ca 0.53 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 59.07 1l6e h ARG 42 Cb 2.23 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 30.50 1l6e h ARG 42 CO -0.01 0.68 -0.04 0.93 0.56 0.00 0.00 179.97 182.09 1l6e h GLU 43 N 0.31 0.00 0.00 0.04 4.39 -0.63 -3.18 114.58 115.51 1l6e h GLU 43 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1l6e h GLU 43 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1l6e h GLU 43 CO 0.02 0.04 0.00 0.00 -1.16 0.00 0.00 179.01 177.91 1l6e n ALA 44 N -2.47 -0.38 -0.40 3.43 0.00 -1.01 -4.09 120.51 115.58 1l6e n ALA 44 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1l6e n ALA 44 Cb 0.13 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1l6e n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1l6e n ARG 45 N -2.12 0.00 0.00 0.00 5.12 -1.20 -5.15 116.66 113.32 1l6e n ARG 45 Ca 0.00 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.00 1l6e n ARG 45 Cb 0.00 -0.16 0.47 0.00 -1.16 0.00 0.00 32.46 31.61 1l6e n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57