#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6s n GLU 2 N 0.00 0.00 0.05 1.61 -0.58 -1.26 0.17 120.64 120.63 1a6s n GLU 2 Ca 0.00 0.35 -0.22 0.00 -0.42 0.00 0.00 57.16 56.88 1a6s n GLU 2 Cb 0.00 -1.57 -0.15 0.00 -0.57 0.00 0.00 31.44 29.15 1a6s n GLU 2 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a6s h ALA 3 N 1.67 0.25 -0.95 0.62 0.00 -1.96 -2.93 119.26 115.95 1a6s h ALA 3 Ca 0.00 -1.21 0.28 0.00 0.00 0.00 0.00 54.91 53.98 1a6s h ALA 3 Cb 0.14 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1a6s h ALA 3 CO 0.00 1.12 0.91 -0.24 0.00 0.00 0.00 179.25 181.04 1a6s h VAL 4 N 0.09 0.20 0.00 0.00 3.04 -0.48 3.08 116.25 122.20 1a6s h VAL 4 Ca -0.35 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1a6s h VAL 4 Cb 2.08 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 1a6s h VAL 4 CO 0.15 0.00 -0.12 -0.38 -1.01 0.00 0.00 177.57 176.21 1a6s n ILE 5 N -3.65 0.26 0.23 3.17 -0.00 -1.24 -3.82 119.36 114.31 1a6s n ILE 5 Ca 0.21 0.44 0.15 0.00 -0.00 0.00 0.00 62.75 63.55 1a6s n ILE 5 Cb 1.22 -1.66 0.63 0.00 -0.00 0.00 0.00 39.64 39.83 1a6s n ILE 5 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 1a6s h LYS 6 N -0.18 0.00 0.00 0.38 1.57 -1.21 -1.30 116.57 115.83 1a6s h LYS 6 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a6s h LYS 6 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1a6s h LYS 6 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 179.45 180.43 1a6s n VAL 7 N -3.05 0.00 -0.29 0.50 3.14 1.02 0.27 118.33 119.92 1a6s n VAL 7 Ca 0.03 1.21 0.11 0.00 -2.96 0.00 0.00 64.34 62.73 1a6s n VAL 7 Cb 0.64 -2.21 0.25 0.00 -1.06 0.00 0.00 33.84 31.47 1a6s n VAL 7 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 1a6s h ILE 8 N 0.00 0.28 0.35 1.55 -0.00 -1.37 9.59 117.51 127.91 1a6s h ILE 8 Ca 0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 64.86 64.79 1a6s h ILE 8 Cb 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 36.82 36.94 1a6s h ILE 8 CO 0.00 0.03 -0.17 0.77 -0.00 0.00 0.00 178.15 178.78 1a6s h SER 9 N 0.14 -0.40 0.23 2.19 4.64 -1.36 -0.79 113.55 118.21 1a6s h SER 9 Ca 0.52 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.84 1a6s h SER 9 Cb 1.01 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1a6s h SER 9 CO -0.70 -0.19 -0.11 -1.28 -0.87 0.00 0.00 176.83 173.68 1a6s h SER 10 N -0.67 -0.27 -0.09 4.97 0.87 0.46 -1.25 113.55 117.57 1a6s h SER 10 Ca -0.05 -0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.46 1a6s h SER 10 Cb 0.36 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1a6s h SER 10 CO 0.08 -0.09 0.33 0.00 -0.53 0.00 0.00 176.83 176.61 1a6s h ALA 11 N 0.31 1.50 0.28 6.23 0.00 2.08 12.80 119.26 142.47 1a6s h ALA 11 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1a6s h ALA 11 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1a6s h ALA 11 CO 0.05 -0.38 -0.14 0.00 0.00 0.00 0.00 179.25 178.79 1a6s n LYS 13 N -5.03 0.62 0.21 0.00 4.76 -0.25 -3.23 118.16 115.25 1a6s n LYS 13 Ca -0.05 0.23 0.05 0.00 -2.87 0.00 0.00 58.31 55.68 1a6s n LYS 13 Cb 0.16 -1.53 0.51 0.00 -1.84 0.00 0.00 35.03 32.33 1a6s n LYS 13 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1a6s h THR 14 N -0.51 1.11 0.01 -0.18 2.02 2.77 2.37 112.91 120.52 1a6s h THR 14 Ca -0.62 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.05 1a6s h THR 14 Cb 1.75 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1a6s h THR 14 CO -0.24 0.15 -0.01 0.22 0.37 0.00 0.00 175.52 176.01 1a6s h TYR 15 N 0.05 -0.04 0.00 3.16 5.03 0.19 -1.98 116.97 123.38 1a6s h TYR 15 Ca 0.01 0.00 -0.42 0.00 2.58 0.00 0.00 58.73 60.90 1a6s h TYR 15 Cb 0.26 0.01 -0.06 0.00 1.55 0.00 0.00 36.73 38.49 1a6s h TYR 15 CO 0.00 -0.02 -2.31 0.00 -1.32 0.00 0.00 178.16 174.52 1a6s h GLY 17 N -0.61 0.00 0.00 0.00 0.00 0.28 -3.42 103.07 99.32 1a6s h GLY 17 Ca -0.62 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1a6s h GLY 17 CO -0.34 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.37 1a6s n LYS 18 N -3.12 0.00 -0.44 4.80 3.00 0.65 0.15 118.16 123.21 1a6s n LYS 18 Ca -0.03 0.00 0.35 0.00 -0.00 0.00 0.00 58.31 58.63 1a6s n LYS 18 Cb 0.08 0.00 0.56 0.00 0.00 0.00 0.00 35.03 35.67 1a6s n LYS 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1a6s n THR 19 N 0.00 -0.10 -0.84 3.15 -1.04 -1.26 -4.45 114.28 109.74 1a6s n THR 19 Ca 0.00 1.24 -0.36 0.00 -2.04 0.00 0.00 64.05 62.89 1a6s n THR 19 Cb 0.00 -2.04 -0.08 0.00 -1.82 0.00 0.00 70.33 66.39 1a6s n THR 19 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1a6s n SER 20 N -3.82 0.41 -0.01 8.00 2.88 0.41 -4.77 113.62 116.72 1a6s n SER 20 Ca 0.32 0.36 -0.17 0.00 -1.33 0.00 0.00 58.87 58.05 1a6s n SER 20 Cb 1.34 -0.58 -0.10 0.00 -0.75 0.00 0.00 64.21 64.12 1a6s n SER 20 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1a6s h PRO 21 N 6.26 0.44 0.00 -1.46 0.13 -1.89 -3.44 132.00 132.04 1a6s h PRO 21 Ca -0.06 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1a6s h PRO 21 Cb 0.90 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1a6s h PRO 21 CO 0.75 1.08 0.00 0.45 -0.23 0.00 0.00 178.00 180.05 1a6s n SER 22 N -4.23 0.00 -3.55 1.44 2.88 -1.26 -5.10 113.62 103.80 1a6s n SER 22 Ca -0.10 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.23 1a6s n SER 22 Cb 0.65 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.96 1a6s n SER 22 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1a6s s LYS 23 N 0.00 0.12 0.00 -1.46 1.02 -1.26 -4.82 119.74 113.34 1a6s s LYS 23 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.10 1a6s s LYS 23 Cb 0.00 -1.39 0.00 0.00 -0.52 0.00 0.00 37.83 35.92 1a6s s LYS 23 CO 0.00 -0.63 0.00 1.63 -0.92 0.00 0.00 175.35 175.43 1a6s n LYS 24 N 5.30 0.00 0.00 1.68 4.76 -1.26 -4.89 118.16 123.75 1a6s n LYS 24 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1a6s n LYS 24 Cb 0.49 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 1a6s n LYS 24 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1a6s n GLU 25 N 0.00 0.00 -0.18 1.97 2.13 -1.26 0.18 120.64 123.48 1a6s n GLU 25 Ca 0.00 0.59 0.20 0.00 0.66 0.00 0.00 57.16 58.61 1a6s n GLU 25 Cb 0.00 -1.17 0.57 0.00 0.27 0.00 0.00 31.44 31.11 1a6s n GLU 25 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1a6s h ILE 26 N 0.00 0.69 0.00 6.31 2.04 -1.90 0.24 117.51 124.89 1a6s h ILE 26 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1a6s h ILE 26 Cb 0.00 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1a6s h ILE 26 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 178.15 178.81 1a6s n GLY 27 N -1.57 -2.67 0.34 5.37 0.00 0.29 -2.42 105.19 104.53 1a6s n GLY 27 Ca 0.17 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.36 1a6s n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6s h ALA 28 N -2.00 1.77 -0.83 4.61 0.00 0.22 2.61 119.26 125.63 1a6s h ALA 28 Ca 0.00 0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.18 1a6s h ALA 28 Cb 0.00 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.70 1a6s h ALA 28 CO 0.00 -0.31 -0.37 1.98 0.00 0.00 0.00 179.25 180.54 1a6s h MET 29 N 0.53 -0.07 0.00 0.00 -1.53 -0.49 2.59 114.93 115.97 1a6s h MET 29 Ca 0.65 0.00 -0.38 0.00 -3.44 0.00 0.00 59.70 56.53 1a6s h MET 29 Cb 1.26 0.01 -0.06 0.00 -0.55 0.00 0.00 31.60 32.26 1a6s h MET 29 CO -0.50 -0.04 -2.22 1.28 0.14 0.00 0.00 176.91 175.57 1a6s n LEU 30 N -5.45 1.95 -0.13 3.39 4.77 -0.02 -3.43 117.00 118.08 1a6s n LEU 30 Ca 0.08 0.35 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 1a6s n LEU 30 Cb 0.38 -0.82 0.49 0.00 -2.33 0.00 0.00 43.42 41.13 1a6s n LEU 30 CO -0.08 0.43 1.20 0.28 -1.33 0.00 0.00 177.39 177.89 1a6s h SER 31 N -1.00 0.41 0.13 -1.43 0.02 0.45 10.27 113.55 122.40 1a6s h SER 31 Ca -0.58 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.38 1a6s h SER 31 Cb 1.50 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1a6s h SER 31 CO -0.35 0.23 -0.06 0.25 -1.14 0.00 0.00 176.83 175.76 1a6s h LEU 32 N 0.45 -0.15 -0.04 5.07 7.12 0.46 -1.56 115.31 126.65 1a6s h LEU 32 Ca 0.32 0.01 -0.04 0.00 0.13 0.00 0.00 57.88 58.30 1a6s h LEU 32 Cb 0.64 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.81 1a6s h LEU 32 CO -0.10 0.01 -0.12 -0.07 -0.13 0.00 0.00 178.44 178.03 1a6s h LEU 33 N -0.41 0.18 0.00 2.25 -0.00 -1.24 0.51 115.31 116.60 1a6s h LEU 33 Ca -0.02 -0.61 0.00 0.00 -0.00 0.00 0.00 57.88 57.25 1a6s h LEU 33 Cb 0.14 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 1a6s h LEU 33 CO 0.03 0.76 0.00 1.67 -0.00 0.00 0.00 178.44 180.90 1a6s n GLN 34 N -4.64 0.34 -0.83 1.13 7.27 3.24 -1.27 117.38 122.61 1a6s n GLN 34 Ca -0.08 0.04 0.04 0.00 0.07 0.00 0.00 57.00 57.07 1a6s n GLN 34 Cb 0.38 -1.50 0.05 0.00 2.41 0.00 0.00 30.24 31.58 1a6s n GLN 34 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1a6s n LYS 35 N -1.07 0.38 0.00 3.69 4.81 -0.59 -4.71 118.16 120.67 1a6s n LYS 35 Ca 0.08 -1.88 0.00 0.00 -0.87 0.00 0.00 58.31 55.64 1a6s n LYS 35 Cb 0.06 -0.59 0.00 0.00 0.02 0.00 0.00 35.03 34.52 1a6s n LYS 35 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1a6s n GLU 36 N -0.15 0.39 -2.42 1.64 -0.58 0.15 -3.89 120.64 115.78 1a6s n GLU 36 Ca 0.07 -0.54 -0.00 0.00 -0.42 0.00 0.00 57.16 56.27 1a6s n GLU 36 Cb 0.86 -0.69 0.00 0.00 -0.57 0.00 0.00 31.44 31.04 1a6s n GLU 36 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a6s n GLY 37 N -0.10 0.85 2.75 0.62 0.00 -1.16 -4.56 105.19 103.59 1a6s n GLY 37 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.43 1.28 -4.32 0.99 4.77 -0.80 -5.03 117.00 113.46 1a6s n LEU 38 Ca -0.00 -3.36 -0.46 0.00 -0.03 0.00 0.00 56.01 52.16 1a6s n LEU 38 Cb 0.50 0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.97 1a6s n LEU 38 CO 0.00 1.33 0.17 -1.48 -1.33 0.00 0.00 177.39 176.08 1a6s s LEU 39 N -3.48 6.06 0.00 2.23 0.05 -1.25 -4.52 118.68 117.77 1a6s s LEU 39 Ca 0.26 -1.72 0.00 0.00 0.05 0.00 0.00 54.13 52.72 1a6s s LEU 39 Cb 0.39 -2.22 0.00 0.00 -2.05 0.00 0.00 46.19 42.31 1a6s s LEU 39 CO -0.01 -0.88 0.00 0.80 -0.55 0.00 0.00 176.35 175.71 1a6s n MET 40 N 5.37 0.23 0.00 1.48 1.56 -1.26 -5.08 117.12 119.43 1a6s n MET 40 Ca -0.13 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.30 1a6s n MET 40 Cb 0.40 -0.43 0.00 0.00 2.15 0.00 0.00 33.22 35.34 1a6s n MET 40 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1a6s n SER 41 N -0.48 0.00 -0.51 6.12 2.88 -1.26 -4.93 113.62 115.45 1a6s n SER 41 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1a6s n SER 41 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1a6s n SER 41 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a6s n PRO 42 N -1.29 0.75 0.26 -1.46 -0.04 -1.26 -3.45 135.00 128.50 1a6s n PRO 42 Ca 0.00 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.62 1a6s n PRO 42 Cb 0.00 -1.37 0.59 0.00 -0.04 0.00 0.00 33.50 32.68 1a6s n PRO 42 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1a6s h SER 43 N 0.25 0.00 -1.85 3.54 0.02 -1.92 -3.15 113.55 110.45 1a6s h SER 43 Ca 0.00 0.00 0.54 0.00 -0.84 0.00 0.00 61.79 61.49 1a6s h SER 43 Cb 0.38 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.84 1a6s h SER 43 CO 0.00 0.00 1.32 -0.67 -1.14 0.00 0.00 176.83 176.34 1a6s n ASP 44 N -3.03 0.01 0.08 3.07 2.03 -1.22 0.55 116.55 118.04 1a6s n ASP 44 Ca 0.01 0.97 -0.12 0.00 0.52 0.00 0.00 54.79 56.17 1a6s n ASP 44 Cb 0.34 -0.48 -0.06 0.00 -0.72 0.00 0.00 41.12 40.20 1a6s n ASP 44 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1a6s h LEU 45 N 0.00 0.41 -0.91 -2.67 6.46 -1.74 -3.05 115.31 113.81 1a6s h LEU 45 Ca 0.89 -0.36 0.00 0.00 -0.12 0.00 0.00 57.88 58.30 1a6s h LEU 45 Cb 3.55 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 43.35 1a6s h LEU 45 CO -0.04 1.18 0.17 -1.22 -0.62 0.00 0.00 178.44 177.91 1a6s n TYR 46 N -3.66 0.46 -3.70 1.25 4.01 2.17 -4.20 117.16 113.49 1a6s n TYR 46 Ca -0.06 0.24 -0.18 0.00 -0.16 0.00 0.00 57.90 57.74 1a6s n TYR 46 Cb 0.87 -0.77 -0.17 0.00 -0.31 0.00 0.00 39.34 38.96 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 -3.50 0.79 0.10 7.72 0.15 -1.13 -5.13 113.70 112.71 1a6s s SER 47 Ca -0.02 0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.42 1a6s s SER 47 Cb 0.04 -0.09 -0.06 0.00 -1.71 0.00 0.00 66.02 64.20 1a6s s SER 47 CO 0.12 -0.21 1.15 -2.16 1.20 0.00 0.00 173.24 173.34 1a6s s PRO 48 N 1.86 4.50 0.00 5.44 0.04 -1.26 -3.97 135.00 141.60 1a6s s PRO 48 Ca 0.01 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1a6s s PRO 48 Cb -0.12 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1a6s s PRO 48 CO -0.03 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1a6s n GLY 49 N 2.73 0.61 0.06 0.56 0.00 -1.26 -5.01 105.19 102.87 1a6s n GLY 49 Ca 0.06 -0.34 0.02 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.61 1.30 -0.73 1.61 7.64 -1.26 -4.60 113.62 116.98 1a6s n SER 50 Ca 0.00 -1.88 0.13 0.00 1.01 0.00 0.00 58.87 58.12 1a6s n SER 50 Cb 0.26 -0.08 0.23 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.46 0.00 0.24 1.43 7.02 -1.26 -3.84 117.44 120.58 1a6s n TRP 51 Ca 0.02 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.64 1a6s n TRP 51 Cb 0.42 -0.01 0.42 0.00 -2.42 0.00 0.00 31.31 29.72 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 3.58 0.00 0.26 -0.99 -0.00 -2.00 -2.70 116.42 114.57 1a6s h ASP 52 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.03 56.81 1a6s h ASP 52 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.13 1a6s h ASP 52 CO 0.00 0.03 -0.87 1.55 -0.00 0.00 0.00 179.24 179.95 1a6s h PRO 53 N 0.00 0.45 0.00 0.28 0.13 -1.92 -2.86 132.00 128.07 1a6s h PRO 53 Ca -0.00 -0.44 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 1a6s h PRO 53 Cb 0.77 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1a6s h PRO 53 CO 0.00 1.09 -0.41 0.97 -0.23 0.00 0.00 178.00 179.42 1a6s h ILE 54 N 0.27 0.80 0.11 -3.56 2.10 -1.76 -2.19 117.51 113.28 1a6s h ILE 54 Ca -0.07 -1.82 -0.01 0.00 1.08 0.00 0.00 64.86 64.05 1a6s h ILE 54 Cb 1.49 2.17 0.00 0.00 -1.09 0.00 0.00 36.82 39.39 1a6s h ILE 54 CO 0.15 0.40 -0.05 0.74 -1.08 0.00 0.00 178.15 178.32 1a6s h THR 55 N 0.00 1.07 0.00 2.19 2.02 -1.39 -2.61 112.91 114.18 1a6s h THR 55 Ca -0.00 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1a6s h THR 55 Cb 1.14 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1a6s h THR 55 CO 0.05 0.17 0.00 0.00 0.37 0.00 0.00 175.52 176.11 1a6s h ALA 56 N 0.38 1.00 -1.35 6.16 0.00 -1.54 -2.94 119.26 120.97 1a6s h ALA 56 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a6s h ALA 56 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1a6s h ALA 56 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1a6s n ALA 57 N -1.80 -0.20 -0.32 0.00 0.00 -0.82 -1.24 120.51 116.12 1a6s n ALA 57 Ca 0.03 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.74 1a6s n ALA 57 Cb 0.30 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.34 1a6s n ALA 57 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1a6s h LEU 58 N 0.00 0.29 -1.34 0.00 -0.00 -1.57 1.20 115.31 113.90 1a6s h LEU 58 Ca 0.00 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 1a6s h LEU 58 Cb 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 40.65 1a6s h LEU 58 CO 0.00 0.05 0.28 -1.28 -0.00 0.00 0.00 178.44 177.49 1a6s h SER 59 N 0.26 0.65 0.31 0.17 0.87 -1.48 5.85 113.55 120.18 1a6s h SER 59 Ca 0.58 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 61.01 1a6s h SER 59 Cb 1.75 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.53 1a6s h SER 59 CO -0.21 0.54 -0.36 -0.61 -0.53 0.00 0.00 176.83 175.66 1a6s h GLN 60 N 0.74 0.08 -0.51 2.24 -0.00 0.29 -3.36 115.11 114.59 1a6s h GLN 60 Ca 0.19 -0.03 -0.30 0.00 -0.00 0.00 0.00 58.65 58.51 1a6s h GLN 60 Cb 0.03 -0.00 -0.21 0.00 0.00 0.00 0.00 27.48 27.30 1a6s h GLN 60 CO -0.03 0.43 -0.64 0.54 0.00 0.00 0.00 178.83 179.13 1a6s n ARG 61 N -4.10 0.96 -0.16 1.69 1.74 -0.36 -4.97 116.66 111.46 1a6s n ARG 61 Ca -0.02 -2.26 -0.08 0.00 -0.77 0.00 0.00 57.85 54.72 1a6s n ARG 61 Cb 0.41 -1.24 0.06 0.00 -1.02 0.00 0.00 32.46 30.67 1a6s n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a6s h ALA 62 N 3.20 0.88 0.00 7.54 0.00 1.18 0.29 119.26 132.35 1a6s h ALA 62 Ca -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1a6s h ALA 62 Cb 1.05 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1a6s h ALA 62 CO 0.25 0.65 0.00 -1.33 0.00 0.00 0.00 179.25 178.82 1a6s n MET 63 N -4.16 0.04 -2.88 0.00 2.81 -1.26 -3.75 117.12 107.92 1a6s n MET 63 Ca 0.02 0.17 -0.12 0.00 -1.81 0.00 0.00 57.70 55.95 1a6s n MET 63 Cb 0.37 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.41 1a6s n MET 63 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 1a6s n ILE 64 N -1.47 -0.14 -0.78 2.02 0.00 -0.64 -4.90 119.36 113.46 1a6s n ILE 64 Ca 0.05 -2.40 0.00 0.00 0.00 0.00 0.00 62.75 60.40 1a6s n ILE 64 Cb 0.21 0.67 0.00 0.00 0.00 0.00 0.00 39.64 40.52 1a6s n ILE 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1a6s n LEU 65 N 0.93 0.00 -0.18 9.51 -0.00 0.92 -4.76 117.00 123.42 1a6s n LEU 65 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.12 1a6s n LEU 65 Cb 0.64 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 44.15 1a6s n LEU 65 CO 0.09 0.00 0.98 1.23 -0.00 0.00 0.00 177.39 179.69 1a6s h GLY 66 N 0.00 0.75 -5.40 1.47 0.00 -1.75 -3.40 103.07 94.74 1a6s h GLY 66 Ca 0.00 -0.11 -0.67 0.00 0.00 0.00 0.00 47.33 46.55 1a6s h GLY 66 CO 0.00 0.00 -0.71 1.25 0.00 0.00 0.00 176.54 177.08 1a6s s LYS 67 N -6.11 3.12 0.54 4.80 2.20 -1.26 -4.99 119.74 118.03 1a6s s LYS 67 Ca -0.13 -0.58 0.20 0.00 -0.36 0.00 0.00 55.97 55.09 1a6s s LYS 67 Cb 0.16 -2.67 1.41 0.00 -1.51 0.00 0.00 37.83 35.22 1a6s s LYS 67 CO 0.74 0.45 2.18 0.66 -0.36 0.00 0.00 175.35 179.01 1a6s h SER 68 N 5.97 0.00 0.00 1.43 4.64 -1.92 -3.32 113.55 120.35 1a6s h SER 68 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1a6s h SER 68 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1a6s h SER 68 CO 0.56 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 1a6s n GLY 69 N -1.48 0.00 0.57 -0.77 0.00 -1.26 -4.81 105.19 97.45 1a6s n GLY 69 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.42 1.61 2.13 -1.25 -4.99 120.64 117.73 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 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 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 -1.40 -0.15 -0.04 4.31 7.94 -1.26 -4.34 117.00 122.06 1a6s n LEU 71 Ca 0.00 -0.73 -0.12 0.00 -1.11 0.00 0.00 56.01 54.05 1a6s n LEU 71 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 1a6s n LEU 71 CO 0.00 0.86 0.75 0.11 -1.11 0.00 0.00 177.39 178.01 1a6s h LYS 72 N 0.00 0.22 -0.23 1.96 1.79 -1.96 0.60 116.57 118.95 1a6s h LYS 72 Ca -0.08 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1a6s h LYS 72 Cb 0.70 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 1a6s h LYS 72 CO -0.04 0.45 0.13 1.15 -1.08 0.00 0.00 179.45 180.06 1a6s h THR 73 N -0.03 1.11 -0.02 -0.16 2.02 -1.98 -2.77 112.91 111.08 1a6s h THR 73 Ca 0.04 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1a6s h THR 73 Cb 0.34 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1a6s h THR 73 CO 0.01 0.10 0.01 -0.25 0.37 0.00 0.00 175.52 175.76 1a6s h TRP 74 N 0.27 0.02 -0.84 3.16 7.01 -1.92 -1.59 115.95 122.06 1a6s h TRP 74 Ca 0.08 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.22 1a6s h TRP 74 Cb 0.05 -0.01 -0.14 0.00 -2.10 0.00 0.00 29.16 26.96 1a6s h TRP 74 CO -0.04 0.12 -0.29 0.41 -2.79 0.00 0.00 178.44 175.85 1a6s n GLY 75 N -0.80 -1.64 0.26 2.65 0.00 0.21 0.39 105.19 106.25 1a6s n GLY 75 Ca -0.07 0.93 -0.09 0.00 0.00 0.00 0.00 46.02 46.80 1a6s n GLY 75 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a6s h LEU 76 N 0.00 0.78 0.42 0.99 3.38 -1.27 2.98 115.31 122.59 1a6s h LEU 76 Ca 0.33 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1a6s h LEU 76 Cb 0.54 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1a6s h LEU 76 CO -0.85 1.02 -0.20 1.62 0.09 0.00 0.00 178.44 180.13 1a6s h VAL 77 N 0.64 0.41 0.22 1.22 3.04 0.42 -2.68 116.25 119.52 1a6s h VAL 77 Ca 0.08 -0.57 -0.01 0.00 -1.01 0.00 0.00 66.70 65.18 1a6s h VAL 77 Cb 0.82 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 1a6s h VAL 77 CO 0.07 0.08 -0.11 0.25 -1.01 0.00 0.00 177.57 176.85 1a6s h LEU 78 N -0.97 -0.25 -1.87 3.16 7.12 0.75 -3.06 115.31 120.18 1a6s h LEU 78 Ca -0.06 -0.28 0.56 0.00 0.13 0.00 0.00 57.88 58.23 1a6s h LEU 78 Cb 0.56 0.07 -0.09 0.00 -0.53 0.00 0.00 40.66 40.66 1a6s h LEU 78 CO 0.09 0.23 1.33 0.61 -0.13 0.00 0.00 178.44 180.57 1a6s n GLY 79 N 0.28 -0.96 0.10 3.75 0.00 0.99 0.24 105.19 109.59 1a6s n GLY 79 Ca -0.08 0.71 -0.13 0.00 0.00 0.00 0.00 46.02 46.51 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 1.10 0.13 -0.67 4.61 0.00 -1.37 -0.36 119.26 122.70 1a6s h ALA 80 Ca 0.93 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 55.66 1a6s h ALA 80 Cb 3.61 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 21.30 1a6s h ALA 80 CO -0.09 -0.06 0.29 1.25 0.00 0.00 0.00 179.25 180.64 1a6s h LEU 81 N -0.19 0.34 -1.34 0.00 7.12 0.30 0.54 115.31 122.08 1a6s h LEU 81 Ca 0.02 0.07 -0.03 0.00 0.13 0.00 0.00 57.88 58.07 1a6s h LEU 81 Cb 0.57 0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.72 1a6s h LEU 81 CO 0.02 0.19 -0.15 0.11 -0.13 0.00 0.00 178.44 178.48 1a6s h LYS 82 N 0.50 0.00 -0.23 1.25 6.56 -1.25 -2.37 116.57 121.03 1a6s h LYS 82 Ca 0.34 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.80 1a6s h LYS 82 Cb 0.40 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.05 1a6s h LYS 82 CO -0.30 0.15 -0.39 0.00 -2.06 0.00 0.00 179.45 176.85 1a6s h ALA 83 N 1.85 0.90 0.19 3.86 0.00 0.18 -0.55 119.26 125.69 1a6s h ALA 83 Ca -0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1a6s h ALA 83 Cb 0.62 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1a6s h ALA 83 CO 0.02 0.63 -0.09 0.00 0.00 0.00 0.00 179.25 179.81 1a6s h ALA 84 N 1.14 -0.26 0.00 0.00 0.00 -0.61 -0.85 119.26 118.68 1a6s h ALA 84 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1a6s h ALA 84 Cb 0.88 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1a6s h ALA 84 CO 0.07 -0.52 0.00 -0.09 0.00 0.00 0.00 179.25 178.72 1a6s h ARG 85 N -0.51 0.00 0.12 0.00 9.65 -1.46 -3.11 114.38 119.06 1a6s h ARG 85 Ca -0.03 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1a6s h ARG 85 Cb 0.39 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1a6s h ARG 85 CO 0.04 0.00 -0.06 0.93 2.80 0.00 0.00 179.97 183.69 1a6s h GLU 86 N 0.00 -0.15 -0.03 0.20 5.08 -0.55 -3.51 114.58 115.62 1a6s h GLU 86 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1a6s h GLU 86 Cb 0.23 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1a6s h GLU 86 CO 0.00 -0.10 0.00 -1.91 -1.00 0.00 0.00 179.01 176.00