#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6s h GLU 2 N 0.00 0.15 -0.53 1.61 4.39 -2.00 -3.35 114.58 114.85 1a6s h GLU 2 Ca 0.00 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 1a6s h GLU 2 Cb 0.00 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1a6s h GLU 2 CO 0.00 1.12 0.28 0.00 -1.16 0.00 0.00 179.01 179.25 1a6s h ALA 3 N -0.19 0.68 -0.75 3.43 0.00 -2.00 4.59 119.26 125.02 1a6s h ALA 3 Ca -0.36 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.58 1a6s h ALA 3 Cb 1.65 -0.21 -0.14 0.00 0.00 0.00 0.00 17.79 19.10 1a6s h ALA 3 CO -0.04 0.21 -0.32 -0.39 0.00 0.00 0.00 179.25 178.71 1a6s h VAL 4 N 0.71 0.12 0.15 0.00 -1.51 -1.85 2.20 116.25 116.07 1a6s h VAL 4 Ca 0.18 0.00 -0.35 0.00 -1.23 0.00 0.00 66.70 65.30 1a6s h VAL 4 Cb 0.08 0.12 -0.01 0.00 -2.13 0.00 0.00 31.29 29.35 1a6s h VAL 4 CO -0.03 0.00 -1.83 0.40 -1.23 0.00 0.00 177.57 174.88 1a6s h ILE 5 N -0.08 0.83 -0.94 7.19 5.03 -1.61 -3.04 117.51 124.89 1a6s h ILE 5 Ca 0.30 -2.48 0.16 0.00 -0.12 0.00 0.00 64.86 62.72 1a6s h ILE 5 Cb 0.57 2.65 -0.10 0.00 -3.03 0.00 0.00 36.82 36.91 1a6s h ILE 5 CO -0.80 0.86 0.54 0.50 -0.68 0.00 0.00 178.15 178.56 1a6s h LYS 6 N 0.09 0.71 0.23 2.37 3.64 1.00 0.68 116.57 125.29 1a6s h LYS 6 Ca -0.36 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.96 1a6s h LYS 6 Cb 2.06 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 1a6s h LYS 6 CO 0.14 0.47 -0.11 -0.24 -2.27 0.00 0.00 179.45 177.44 1a6s h VAL 7 N 0.73 0.00 -0.96 2.00 3.04 0.35 0.18 116.25 121.59 1a6s h VAL 7 Ca 0.52 -0.28 0.28 0.00 -1.01 0.00 0.00 66.70 66.21 1a6s h VAL 7 Cb 0.74 0.00 -0.17 0.00 -2.01 0.00 0.00 31.29 29.85 1a6s h VAL 7 CO -0.36 0.00 0.14 -0.29 -1.01 0.00 0.00 177.57 176.05 1a6s h ILE 8 N -0.59 0.08 0.20 3.17 6.09 -1.35 13.11 117.51 138.21 1a6s h ILE 8 Ca -0.03 -0.02 -0.01 0.00 -1.37 0.00 0.00 64.86 63.43 1a6s h ILE 8 Cb 0.24 0.03 0.00 0.00 0.47 0.00 0.00 36.82 37.56 1a6s h ILE 8 CO 0.05 0.01 -0.10 -1.28 -3.07 0.00 0.00 178.15 173.76 1a6s h SER 9 N 0.04 -0.23 -0.27 2.19 0.87 0.34 -0.98 113.55 115.53 1a6s h SER 9 Ca 0.62 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 61.17 1a6s h SER 9 Cb 1.35 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.36 1a6s h SER 9 CO -0.85 -0.12 0.08 -1.28 -0.53 0.00 0.00 176.83 174.13 1a6s h SER 10 N -0.35 0.40 -0.27 6.23 0.87 0.73 -1.63 113.55 119.53 1a6s h SER 10 Ca -0.03 -0.21 0.08 0.00 -1.23 0.00 0.00 61.79 60.40 1a6s h SER 10 Cb 0.20 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1a6s h SER 10 CO 0.04 0.51 0.34 0.00 -0.53 0.00 0.00 176.83 177.19 1a6s h ALA 11 N 0.90 1.88 0.27 6.23 0.00 2.93 10.53 119.26 141.99 1a6s h ALA 11 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1a6s h ALA 11 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1a6s h ALA 11 CO -0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 179.25 178.64 1a6s n LYS 13 N -5.02 0.54 -0.00 0.00 4.81 -0.31 -3.51 118.16 114.67 1a6s n LYS 13 Ca -0.06 0.44 0.21 0.00 -0.87 0.00 0.00 58.31 58.02 1a6s n LYS 13 Cb 0.20 -1.63 0.69 0.00 0.02 0.00 0.00 35.03 34.32 1a6s n LYS 13 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1a6s h THR 14 N -1.00 0.72 0.00 3.15 2.02 2.27 8.35 112.91 128.42 1a6s h THR 14 Ca -0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1a6s h THR 14 Cb 1.19 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1a6s h THR 14 CO -0.20 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.69 1a6s n TYR 15 N -4.36 0.00 -0.11 3.16 4.19 0.18 -3.60 117.16 116.62 1a6s n TYR 15 Ca 0.10 0.00 -0.25 0.00 3.31 0.00 0.00 57.90 61.06 1a6s n TYR 15 Cb 0.62 -0.28 -0.11 0.00 0.49 0.00 0.00 39.34 40.06 1a6s n TYR 15 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1a6s h GLY 17 N -0.29 0.00 0.00 0.00 0.00 0.27 -3.44 103.07 99.60 1a6s h GLY 17 Ca -0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1a6s h GLY 17 CO -0.26 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.45 1a6s n LYS 18 N -2.68 0.00 0.03 4.80 4.81 2.54 -2.95 118.16 124.72 1a6s n LYS 18 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1a6s n LYS 18 Cb 0.27 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.32 1a6s n LYS 18 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1a6s n THR 19 N 0.00 0.00 -1.16 3.15 5.66 -1.26 -3.82 114.28 116.86 1a6s n THR 19 Ca 0.00 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.74 1a6s n THR 19 Cb 0.00 -0.13 -0.14 0.00 -1.55 0.00 0.00 70.33 68.51 1a6s n THR 19 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1a6s n SER 20 N -2.66 -0.26 -3.86 1.09 2.88 -1.15 -4.83 113.62 104.83 1a6s n SER 20 Ca 0.00 -0.06 -0.30 0.00 -1.33 0.00 0.00 58.87 57.18 1a6s n SER 20 Cb 0.00 -0.60 0.22 0.00 -0.75 0.00 0.00 64.21 63.08 1a6s n SER 20 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1a6s s PRO 21 N 6.39 -0.48 0.00 -1.46 0.04 -1.26 -4.98 135.00 133.26 1a6s s PRO 21 Ca 1.04 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1a6s s PRO 21 Cb -0.86 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1a6s s PRO 21 CO 0.40 -3.17 0.00 0.43 0.04 0.00 0.00 177.00 174.70 1a6s n SER 22 N -4.32 0.00 -2.55 6.66 7.64 -1.26 -5.03 113.62 114.76 1a6s n SER 22 Ca 0.15 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.91 1a6s n SER 22 Cb 0.59 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.81 1a6s n SER 22 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1a6s n LYS 23 N 0.00 -0.70 0.00 1.43 2.85 -1.26 -4.70 118.16 115.79 1a6s n LYS 23 Ca 0.00 0.74 0.00 0.00 -1.05 0.00 0.00 58.31 58.00 1a6s n LYS 23 Cb 0.00 -1.00 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 1a6s n LYS 23 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1a6s n LYS 24 N 0.53 0.00 0.00 -1.58 5.02 -1.26 -4.97 118.16 115.90 1a6s n LYS 24 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1a6s n LYS 24 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 1a6s n LYS 24 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1a6s n GLU 25 N 0.00 0.00 -0.34 1.97 4.71 -1.26 -2.46 120.64 123.25 1a6s n GLU 25 Ca 0.00 0.19 0.17 0.00 -0.01 0.00 0.00 57.16 57.50 1a6s n GLU 25 Cb 0.00 -0.86 0.38 0.00 -1.01 0.00 0.00 31.44 29.95 1a6s n GLU 25 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1a6s h ILE 26 N 0.00 0.59 -0.86 -3.67 1.08 -1.90 0.36 117.51 113.12 1a6s h ILE 26 Ca 0.00 -0.21 0.13 0.00 -0.39 0.00 0.00 64.86 64.39 1a6s h ILE 26 Cb 0.00 -0.08 -0.09 0.00 -3.07 0.00 0.00 36.82 33.58 1a6s h ILE 26 CO 0.00 0.11 0.47 1.23 -0.69 0.00 0.00 178.15 179.27 1a6s h GLY 27 N 0.62 1.39 0.63 5.37 0.00 -1.94 -1.52 103.07 107.62 1a6s h GLY 27 Ca 0.62 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.67 1a6s h GLY 27 CO -0.42 0.02 -0.22 0.00 0.00 0.00 0.00 176.54 175.91 1a6s h ALA 28 N 1.53 -0.39 -0.85 3.60 0.00 0.06 0.52 119.26 123.73 1a6s h ALA 28 Ca 0.45 -0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.58 1a6s h ALA 28 Cb 0.58 0.35 -0.16 0.00 0.00 0.00 0.00 17.79 18.56 1a6s h ALA 28 CO -0.33 -0.76 0.11 -0.12 0.00 0.00 0.00 179.25 178.15 1a6s n MET 29 N -5.35 -0.06 0.00 0.00 0.00 -0.58 0.62 117.12 111.75 1a6s n MET 29 Ca -0.07 1.25 0.00 0.00 0.00 0.00 0.00 57.70 58.89 1a6s n MET 29 Cb 0.26 -2.04 0.00 0.00 0.00 0.00 0.00 33.22 31.44 1a6s n MET 29 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1a6s n LEU 30 N -5.17 0.41 -0.12 -0.89 4.77 -0.76 -2.96 117.00 112.29 1a6s n LEU 30 Ca 0.22 0.30 -0.05 0.00 -0.03 0.00 0.00 56.01 56.46 1a6s n LEU 30 Cb 0.74 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1a6s n LEU 30 CO -0.05 -0.41 0.91 0.28 -1.33 0.00 0.00 177.39 176.80 1a6s h SER 31 N 0.00 0.04 0.14 -1.43 0.02 0.40 10.30 113.55 123.02 1a6s h SER 31 Ca 0.00 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1a6s h SER 31 Cb 0.00 0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 1a6s h SER 31 CO 0.00 0.06 -0.50 0.25 -1.14 0.00 0.00 176.83 175.50 1a6s h LEU 32 N 0.23 -1.50 0.05 5.07 7.12 1.80 3.30 115.31 131.37 1a6s h LEU 32 Ca 0.18 0.16 -0.00 0.00 0.13 0.00 0.00 57.88 58.35 1a6s h LEU 32 Cb 0.21 0.55 0.00 0.00 -0.53 0.00 0.00 40.66 40.89 1a6s h LEU 32 CO -0.23 -0.55 -0.02 -0.07 -0.13 0.00 0.00 178.44 177.44 1a6s h LEU 33 N -0.75 -0.06 0.00 2.25 -0.00 -0.81 -0.87 115.31 115.08 1a6s h LEU 33 Ca -0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 57.88 57.27 1a6s h LEU 33 Cb 0.75 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.43 1a6s h LEU 33 CO -0.27 0.66 0.00 0.00 -0.00 0.00 0.00 178.44 178.83 1a6s n GLN 34 N -4.77 0.39 -0.83 1.13 6.02 3.25 0.11 117.38 122.68 1a6s n GLN 34 Ca -0.08 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.93 1a6s n GLN 34 Cb 0.32 -1.25 0.02 0.00 1.02 0.00 0.00 30.24 30.34 1a6s n GLN 34 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1a6s n LYS 35 N -0.75 0.07 0.00 -1.09 3.00 1.10 -4.69 118.16 115.80 1a6s n LYS 35 Ca 0.05 -1.44 0.00 0.00 -0.00 0.00 0.00 58.31 56.92 1a6s n LYS 35 Cb 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 35.03 34.67 1a6s n LYS 35 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1a6s n GLU 36 N 0.10 0.00 0.00 1.64 2.13 -0.20 -4.35 120.64 119.97 1a6s n GLU 36 Ca 0.03 -0.33 0.00 0.00 0.66 0.00 0.00 57.16 57.52 1a6s n GLU 36 Cb 0.85 -0.46 0.00 0.00 0.27 0.00 0.00 31.44 32.10 1a6s n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a6s n GLY 37 N 0.00 0.92 2.72 8.31 0.00 -1.00 -4.19 105.19 111.96 1a6s n GLY 37 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1a6s n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a6s n LEU 38 N 0.00 1.26 -0.59 0.99 4.32 0.12 -4.82 117.00 118.27 1a6s n LEU 38 Ca 0.00 -3.45 0.06 0.00 -0.02 0.00 0.00 56.01 52.60 1a6s n LEU 38 Cb 0.00 0.42 0.16 0.00 -1.62 0.00 0.00 43.42 42.38 1a6s n LEU 38 CO 0.00 1.40 0.63 -0.11 -1.22 0.00 0.00 177.39 178.09 1a6s n LEU 39 N -0.31 3.00 -0.93 2.23 7.94 -1.26 -3.75 117.00 123.92 1a6s n LEU 39 Ca 0.07 -2.27 0.11 0.00 -1.11 0.00 0.00 56.01 52.81 1a6s n LEU 39 Cb 0.82 -0.28 0.13 0.00 0.53 0.00 0.00 43.42 44.62 1a6s n LEU 39 CO 0.17 0.69 0.62 0.80 -1.11 0.00 0.00 177.39 178.56 1a6s n MET 40 N 0.09 2.13 0.00 1.96 1.56 -1.26 -4.97 117.12 116.63 1a6s n MET 40 Ca 0.12 -1.93 0.00 0.00 -0.27 0.00 0.00 57.70 55.62 1a6s n MET 40 Cb 0.52 -1.43 0.00 0.00 2.15 0.00 0.00 33.22 34.45 1a6s n MET 40 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1a6s n SER 41 N 1.26 0.00 0.00 6.12 7.64 -1.26 -4.98 113.62 122.40 1a6s n SER 41 Ca 0.14 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.14 1a6s n SER 41 Cb 0.55 0.00 0.61 0.00 -1.01 0.00 0.00 64.21 64.35 1a6s n SER 41 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1a6s n PRO 42 N 0.00 0.43 0.09 1.43 -0.04 -1.26 -2.81 135.00 132.83 1a6s n PRO 42 Ca 0.00 0.05 0.09 0.00 -0.04 0.00 0.00 63.50 63.61 1a6s n PRO 42 Cb 0.00 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.37 1a6s n PRO 42 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1a6s n SER 43 N -1.22 0.41 -0.59 3.54 2.88 -1.26 -3.16 113.62 114.22 1a6s n SER 43 Ca 0.12 0.62 0.45 0.00 -1.33 0.00 0.00 58.87 58.73 1a6s n SER 43 Cb 0.16 -0.70 0.70 0.00 -0.75 0.00 0.00 64.21 63.62 1a6s n SER 43 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1a6s n ASP 44 N -1.97 0.02 -0.18 -3.46 4.64 -1.12 0.42 116.55 114.91 1a6s n ASP 44 Ca 0.02 0.90 0.11 0.00 -1.38 0.00 0.00 54.79 54.45 1a6s n ASP 44 Cb 0.17 -0.45 0.43 0.00 -1.04 0.00 0.00 41.12 40.23 1a6s n ASP 44 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 1a6s h LEU 45 N 0.00 0.52 -0.61 -2.67 6.46 -1.78 0.32 115.31 117.55 1a6s h LEU 45 Ca 0.81 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.59 1a6s h LEU 45 Cb 3.17 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 43.01 1a6s h LEU 45 CO -0.06 0.30 0.16 -1.22 -0.62 0.00 0.00 178.44 176.99 1a6s n TYR 46 N -4.50 0.31 -3.69 1.25 4.01 1.44 -4.50 117.16 111.49 1a6s n TYR 46 Ca 0.13 0.16 -0.33 0.00 -0.16 0.00 0.00 57.90 57.70 1a6s n TYR 46 Cb 0.40 -0.64 -0.05 0.00 -0.31 0.00 0.00 39.34 38.75 1a6s n TYR 46 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a6s s SER 47 N -3.25 6.52 -0.47 7.72 0.15 0.11 -5.03 113.70 119.44 1a6s s SER 47 Ca -0.01 0.61 -0.28 0.00 0.70 0.00 0.00 55.95 56.97 1a6s s SER 47 Cb 0.03 -2.10 0.01 0.00 -1.71 0.00 0.00 66.02 62.24 1a6s s SER 47 CO 0.08 0.14 1.44 -2.16 1.20 0.00 0.00 173.24 173.95 1a6s s PRO 48 N -2.24 3.43 0.00 5.44 0.04 -1.26 -3.82 135.00 136.59 1a6s s PRO 48 Ca 0.35 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1a6s s PRO 48 Cb -0.13 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1a6s s PRO 48 CO 0.21 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 175.91 1a6s n GLY 49 N 5.18 0.20 0.48 0.56 0.00 -1.26 -5.00 105.19 105.34 1a6s n GLY 49 Ca 0.15 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.87 1a6s n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a6s n SER 50 N -0.66 1.99 -0.01 1.61 7.64 -1.25 -4.05 113.62 118.89 1a6s n SER 50 Ca 0.00 -1.49 -0.02 0.00 1.01 0.00 0.00 58.87 58.36 1a6s n SER 50 Cb 0.31 0.50 -0.12 0.00 -1.01 0.00 0.00 64.21 63.89 1a6s n SER 50 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1a6s n TRP 51 N -0.07 0.62 0.10 1.43 7.02 -1.26 -3.55 117.44 121.74 1a6s n TRP 51 Ca 0.09 0.21 -0.03 0.00 -1.02 0.00 0.00 57.50 56.75 1a6s n TRP 51 Cb 0.46 -1.01 0.16 0.00 -2.42 0.00 0.00 31.31 28.50 1a6s n TRP 51 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 1a6s h ASP 52 N 0.00 0.21 0.90 -0.99 -0.00 -1.98 -2.78 116.42 111.79 1a6s h ASP 52 Ca -0.26 -0.11 -0.12 0.00 -0.00 0.00 0.00 57.03 56.54 1a6s h ASP 52 Cb 1.74 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 41.00 1a6s h ASP 52 CO 0.04 0.72 -0.60 1.55 -0.00 0.00 0.00 179.24 180.96 1a6s h PRO 53 N 0.14 0.00 0.00 0.28 0.13 -1.70 -2.79 132.00 128.06 1a6s h PRO 53 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1a6s h PRO 53 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1a6s h PRO 53 CO 0.08 0.60 0.00 0.82 -0.23 0.00 0.00 178.00 179.27 1a6s h ILE 54 N 0.00 0.00 0.19 -3.56 2.04 -1.55 0.20 117.51 114.82 1a6s h ILE 54 Ca -0.01 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 1a6s h ILE 54 Cb 1.21 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1a6s h ILE 54 CO 0.08 0.00 -0.09 0.74 0.00 0.00 0.00 178.15 178.88 1a6s h THR 55 N 0.00 0.63 0.00 -0.27 2.02 -1.23 -2.57 112.91 111.50 1a6s h THR 55 Ca 0.00 -1.07 -0.12 0.00 0.77 0.00 0.00 66.41 65.99 1a6s h THR 55 Cb 0.68 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1a6s h THR 55 CO 0.00 0.17 -0.58 0.00 0.37 0.00 0.00 175.52 175.48 1a6s h ALA 56 N -0.53 0.78 0.77 6.16 0.00 -1.57 -2.18 119.26 122.69 1a6s h ALA 56 Ca -0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 1a6s h ALA 56 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1a6s h ALA 56 CO 0.04 0.72 -0.42 0.00 0.00 0.00 0.00 179.25 179.60 1a6s h ALA 57 N 1.42 -1.27 -0.56 0.00 0.00 -0.68 0.67 119.26 118.84 1a6s h ALA 57 Ca -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1a6s h ALA 57 Cb 1.23 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 1a6s h ALA 57 CO 0.08 -1.21 0.37 1.25 0.00 0.00 0.00 179.25 179.73 1a6s h LEU 58 N -1.09 0.63 -1.12 0.00 6.46 -1.52 -1.45 115.31 117.21 1a6s h LEU 58 Ca -0.10 -0.01 0.10 0.00 -0.12 0.00 0.00 57.88 57.74 1a6s h LEU 58 Cb 0.85 -0.15 -0.07 0.00 -0.73 0.00 0.00 40.66 40.56 1a6s h LEU 58 CO 0.14 0.45 0.60 -1.28 -0.62 0.00 0.00 178.44 177.74 1a6s h SER 59 N 0.74 0.87 0.74 1.25 0.87 -1.23 4.16 113.55 120.95 1a6s h SER 59 Ca 0.21 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1a6s h SER 59 Cb -0.08 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1a6s h SER 59 CO -0.05 0.50 -0.06 1.56 -0.53 0.00 0.00 176.83 178.25 1a6s h GLN 60 N 0.95 0.00 0.00 2.24 1.08 0.14 -3.38 115.11 116.14 1a6s h GLN 60 Ca 0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.64 1a6s h GLN 60 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1a6s h GLN 60 CO -0.20 0.06 0.00 0.54 -0.95 0.00 0.00 178.83 178.28 1a6s n ARG 61 N -3.24 0.00 -0.99 1.46 1.74 0.14 -4.92 116.66 110.85 1a6s n ARG 61 Ca -0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.03 1a6s n ARG 61 Cb 0.28 -0.06 -0.02 0.00 -1.02 0.00 0.00 32.46 31.65 1a6s n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a6s n ALA 62 N -1.69 -0.06 0.00 7.54 0.00 1.33 -4.46 120.51 123.16 1a6s n ALA 62 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1a6s n ALA 62 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1a6s n ALA 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a6s n MET 63 N -1.06 1.81 -0.62 0.00 2.81 -1.26 -4.65 117.12 114.15 1a6s n MET 63 Ca -0.04 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 55.93 1a6s n MET 63 Cb 0.15 -0.90 0.33 0.00 -0.71 0.00 0.00 33.22 32.09 1a6s n MET 63 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1a6s n ILE 64 N -1.37 2.16 0.00 2.02 -5.35 -1.26 -4.88 119.36 110.68 1a6s n ILE 64 Ca 0.00 -1.42 0.00 0.00 -0.27 0.00 0.00 62.75 61.06 1a6s n ILE 64 Cb 0.13 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 37.97 1a6s n ILE 64 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1a6s n LEU 65 N 0.50 0.00 -1.07 7.28 7.94 -1.26 -4.88 117.00 125.52 1a6s n LEU 65 Ca 0.24 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 1a6s n LEU 65 Cb 0.95 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.90 1a6s n LEU 65 CO 0.23 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 1a6s n GLY 66 N 5.00 -0.21 0.35 -3.96 0.00 -1.14 -5.01 105.19 100.21 1a6s n GLY 66 Ca 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 46.02 45.77 1a6s n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a6s n LYS 67 N -0.44 0.92 -1.08 1.61 3.00 -1.26 -4.70 118.16 116.21 1a6s n LYS 67 Ca 0.00 -1.24 -0.00 0.00 -0.00 0.00 0.00 58.31 57.07 1a6s n LYS 67 Cb 0.08 -1.16 0.00 0.00 0.00 0.00 0.00 35.03 33.95 1a6s n LYS 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1a6s n SER 68 N 0.37 -0.02 0.00 3.14 2.88 -1.26 -4.86 113.62 113.87 1a6s n SER 68 Ca 0.06 -0.59 0.00 0.00 -1.33 0.00 0.00 58.87 57.00 1a6s n SER 68 Cb 0.25 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1a6s n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a6s n GLY 69 N -0.01 1.23 1.37 0.46 0.00 -1.26 -4.57 105.19 102.40 1a6s n GLY 69 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1a6s n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1a6s n GLU 70 N 0.00 0.00 -0.65 1.61 2.13 -1.26 -4.74 120.64 117.73 1a6s n GLU 70 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1a6s n GLU 70 Cb 0.00 -0.12 -0.01 0.00 0.27 0.00 0.00 31.44 31.58 1a6s n GLU 70 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1a6s n LEU 71 N -2.19 -0.11 -0.02 4.31 7.94 -1.26 -2.90 117.00 122.77 1a6s n LEU 71 Ca 0.00 -1.24 -0.09 0.00 -1.11 0.00 0.00 56.01 53.57 1a6s n LEU 71 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1a6s n LEU 71 CO 0.00 0.91 0.82 0.50 -1.11 0.00 0.00 177.39 178.51 1a6s h LYS 72 N 0.06 -0.03 -0.78 1.96 3.64 -1.93 -1.60 116.57 117.90 1a6s h LYS 72 Ca -0.11 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.38 1a6s h LYS 72 Cb 1.21 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.96 1a6s h LYS 72 CO -0.04 -0.02 0.40 1.79 -2.27 0.00 0.00 179.45 179.30 1a6s h THR 73 N -0.03 0.81 -0.95 1.00 1.35 -1.89 0.30 112.91 113.50 1a6s h THR 73 Ca 0.08 -0.22 0.20 0.00 -0.55 0.00 0.00 66.41 65.92 1a6s h THR 73 Cb 0.15 0.12 -0.08 0.00 -1.73 0.00 0.00 68.15 66.61 1a6s h THR 73 CO -0.17 0.12 0.61 -0.25 -0.25 0.00 0.00 175.52 175.57 1a6s h TRP 74 N 0.64 0.75 -0.19 4.73 7.01 -1.69 0.17 115.95 127.38 1a6s h TRP 74 Ca 0.40 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.45 1a6s h TRP 74 Cb 0.47 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.27 1a6s h TRP 74 CO -0.10 0.19 0.02 0.78 -2.79 0.00 0.00 178.44 176.55 1a6s h GLY 75 N 0.56 0.20 0.78 2.65 0.00 0.01 4.25 103.07 111.51 1a6s h GLY 75 Ca 0.51 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.84 1a6s h GLY 75 CO -0.25 -0.01 0.01 1.41 0.00 0.00 0.00 176.54 177.69 1a6s h LEU 76 N 0.10 0.07 0.30 3.11 3.38 -0.65 5.08 115.31 126.69 1a6s h LEU 76 Ca 0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1a6s h LEU 76 Cb 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1a6s h LEU 76 CO -0.13 0.29 -0.14 1.62 0.09 0.00 0.00 178.44 180.17 1a6s h VAL 77 N -0.16 0.73 0.40 1.22 3.04 -0.54 -2.49 116.25 118.44 1a6s h VAL 77 Ca 0.01 -0.45 -0.02 0.00 -1.01 0.00 0.00 66.70 65.23 1a6s h VAL 77 Cb 0.25 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1a6s h VAL 77 CO 0.00 0.09 -0.19 0.25 -1.01 0.00 0.00 177.57 176.71 1a6s h LEU 78 N -0.65 -0.45 -1.51 3.16 7.12 0.83 -3.11 115.31 120.69 1a6s h LEU 78 Ca -0.04 0.02 0.44 0.00 0.13 0.00 0.00 57.88 58.43 1a6s h LEU 78 Cb 0.46 0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 40.64 1a6s h LEU 78 CO 0.07 -0.10 1.08 0.61 -0.13 0.00 0.00 178.44 179.97 1a6s n GLY 79 N 0.25 -0.76 0.08 3.75 0.00 1.66 0.30 105.19 110.47 1a6s n GLY 79 Ca -0.07 0.54 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 1a6s n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6s h ALA 80 N 0.80 -0.07 -0.90 4.61 0.00 -1.38 -1.20 119.26 121.13 1a6s h ALA 80 Ca 0.73 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.58 1a6s h ALA 80 Cb 2.89 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 20.61 1a6s h ALA 80 CO -0.03 -0.33 0.50 1.25 0.00 0.00 0.00 179.25 180.63 1a6s h LEU 81 N -0.47 0.64 -1.45 0.00 5.85 0.46 0.91 115.31 121.26 1a6s h LEU 81 Ca -0.01 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1a6s h LEU 81 Cb 0.42 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1a6s h LEU 81 CO 0.01 0.28 -0.19 0.11 -0.34 0.00 0.00 178.44 178.32 1a6s h LYS 82 N 0.72 0.00 -0.25 1.25 6.56 -1.26 -2.20 116.57 121.38 1a6s h LYS 82 Ca 0.48 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.95 1a6s h LYS 82 Cb 0.65 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.30 1a6s h LYS 82 CO -0.34 0.19 -0.37 0.00 -2.06 0.00 0.00 179.45 176.87 1a6s h ALA 83 N 1.81 0.90 0.07 3.86 0.00 0.21 -0.81 119.26 125.30 1a6s h ALA 83 Ca -0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1a6s h ALA 83 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1a6s h ALA 83 CO 0.02 0.63 -0.03 0.00 0.00 0.00 0.00 179.25 179.87 1a6s h ALA 84 N 1.14 -0.09 0.00 0.00 0.00 -0.65 0.88 119.26 120.54 1a6s h ALA 84 Ca 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1a6s h ALA 84 Cb 0.85 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1a6s h ALA 84 CO 0.07 -0.44 -0.00 0.00 0.00 0.00 0.00 179.25 178.88 1a6s h ARG 85 N -0.31 0.00 0.00 0.00 2.47 -1.43 -3.09 114.38 112.02 1a6s h ARG 85 Ca -0.01 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 1a6s h ARG 85 Cb 0.27 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1a6s h ARG 85 CO 0.02 0.00 -0.34 0.93 0.56 0.00 0.00 179.97 181.14 1a6s h GLU 86 N 0.00 0.00 0.00 0.04 5.08 -0.51 -3.51 114.58 115.68 1a6s h GLU 86 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a6s h GLU 86 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1a6s h GLU 86 CO 0.00 0.17 0.00 -1.91 -1.00 0.00 0.00 179.01 176.27