#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 0.08 1.61 1.02 -1.26 -0.35 120.64 121.74 1a6s n GLU 2 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1a6s n GLU 2 Cb 0.00 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 1a6s n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a6s h ALA 3 N 1.36 0.34 -0.95 0.62 0.00 -1.99 0.11 119.26 118.75 1a6s h ALA 3 Ca 0.00 -0.75 0.15 0.00 0.00 0.00 0.00 54.91 54.32 1a6s h ALA 3 Cb 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.61 1a6s h ALA 3 CO 0.00 0.86 -0.37 -0.39 0.00 0.00 0.00 179.25 179.36 1a6s h VAL 4 N 0.18 0.02 0.09 0.00 -1.51 -0.97 1.86 116.25 115.93 1a6s h VAL 4 Ca -0.08 0.00 -0.26 0.00 -1.23 0.00 0.00 66.70 65.12 1a6s h VAL 4 Cb 1.64 0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 1a6s h VAL 4 CO 0.17 0.00 -1.37 0.40 -1.23 0.00 0.00 177.57 175.53 1a6s h ILE 5 N -0.02 1.01 -1.02 7.19 5.03 -1.71 -3.00 117.51 125.00 1a6s h ILE 5 Ca 0.35 -2.36 0.30 0.00 -0.12 0.00 0.00 64.86 63.03 1a6s h ILE 5 Cb 0.60 2.65 -0.14 0.00 -3.03 0.00 0.00 36.82 36.90 1a6s h ILE 5 CO -0.96 0.65 0.60 0.11 -0.68 0.00 0.00 178.15 177.88 1a6s h LYS 6 N -0.42 0.38 0.13 2.37 1.79 0.00 1.52 116.57 122.35 1a6s h LYS 6 Ca -0.31 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.13 1a6s h LYS 6 Cb 1.67 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 32.24 1a6s h LYS 6 CO 0.01 0.25 -0.06 -0.24 -1.08 0.00 0.00 179.45 178.33 1a6s h VAL 7 N 0.39 0.00 -0.99 0.50 3.04 0.27 0.93 116.25 120.40 1a6s h VAL 7 Ca 0.70 -0.29 0.34 0.00 -1.01 0.00 0.00 66.70 66.44 1a6s h VAL 7 Cb 1.58 0.00 -0.16 0.00 -2.01 0.00 0.00 31.29 30.70 1a6s h VAL 7 CO -0.54 0.00 0.50 -0.29 -1.01 0.00 0.00 177.57 176.24 1a6s h ILE 8 N -0.47 0.21 0.35 3.17 6.09 -1.18 10.60 117.51 136.27 1a6s h ILE 8 Ca -0.02 -0.07 -0.02 0.00 -1.37 0.00 0.00 64.86 63.38 1a6s h ILE 8 Cb 0.14 -0.02 0.00 0.00 0.47 0.00 0.00 36.82 37.41 1a6s h ILE 8 CO 0.03 0.04 -0.17 0.77 -3.07 0.00 0.00 178.15 175.75 1a6s h SER 9 N 0.21 -0.39 0.08 2.19 4.64 0.21 -2.07 113.55 118.41 1a6s h SER 9 Ca 0.74 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 62.07 1a6s h SER 9 Cb 1.75 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 1a6s h SER 9 CO -0.67 -0.17 -0.04 -1.28 -0.87 0.00 0.00 176.83 173.80 1a6s h SER 10 N -0.69 -0.09 -0.22 4.97 0.87 0.86 -2.77 113.55 116.47 1a6s h SER 10 Ca -0.05 -0.43 0.06 0.00 -1.23 0.00 0.00 61.79 60.15 1a6s h SER 10 Cb 0.36 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1a6s h SER 10 CO 0.08 0.41 0.54 0.00 -0.53 0.00 0.00 176.83 177.33 1a6s h ALA 11 N 0.21 1.82 0.18 6.23 0.00 2.31 10.50 119.26 140.52 1a6s h ALA 11 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1a6s h ALA 11 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1a6s h ALA 11 CO 0.02 -0.66 -0.09 0.00 0.00 0.00 0.00 179.25 178.53 1a6s n LYS 13 N -3.42 0.67 0.26 0.00 4.76 -0.17 -3.14 118.16 117.11 1a6s n LYS 13 Ca -0.03 0.29 0.08 0.00 -2.87 0.00 0.00 58.31 55.79 1a6s n LYS 13 Cb 0.10 -1.64 0.65 0.00 -1.84 0.00 0.00 35.03 32.30 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 -0.29 0.96 0.00 -0.18 2.02 2.26 1.72 112.91 119.40 1a6s h THR 14 Ca -0.49 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1a6s h THR 14 Cb 1.81 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1a6s h THR 14 CO -0.09 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.84 1a6s n TYR 15 N -4.41 0.00 -1.87 3.16 4.19 0.15 -1.65 117.16 116.73 1a6s n TYR 15 Ca -0.03 0.00 -0.35 0.00 3.31 0.00 0.00 57.90 60.83 1a6s n TYR 15 Cb 0.12 -0.31 0.04 0.00 0.49 0.00 0.00 39.34 39.68 1a6s n TYR 15 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1a6s n GLY 17 N -0.64 0.00 2.83 0.00 0.00 0.50 -4.75 105.19 103.13 1a6s n GLY 17 Ca 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.43 1a6s n GLY 17 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a6s n LYS 18 N -0.39 -0.95 -0.54 1.61 2.85 0.34 -4.45 118.16 116.63 1a6s n LYS 18 Ca 0.00 0.04 -0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1a6s n LYS 18 Cb 0.00 -1.33 -0.00 0.00 -0.65 0.00 0.00 35.03 33.05 1a6s n LYS 18 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1a6s n THR 19 N -1.94 0.00 -1.13 0.58 -1.04 -1.26 -4.96 114.28 104.54 1a6s n THR 19 Ca -0.04 -0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.74 1a6s n THR 19 Cb 0.19 0.06 -0.15 0.00 -1.82 0.00 0.00 70.33 68.61 1a6s n THR 19 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1a6s n SER 20 N 0.00 -0.59 0.00 8.00 7.64 -1.26 -4.72 113.62 122.70 1a6s n SER 20 Ca -0.02 -0.20 -0.11 0.00 1.01 0.00 0.00 58.87 59.56 1a6s n SER 20 Cb 0.52 -0.51 -0.08 0.00 -1.01 0.00 0.00 64.21 63.13 1a6s n SER 20 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1a6s h PRO 21 N 8.56 -0.11 0.00 1.43 0.13 -1.97 -3.49 132.00 136.55 1a6s h PRO 21 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1a6s h PRO 21 Cb 0.90 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1a6s h PRO 21 CO 1.15 0.42 0.00 0.45 -0.23 0.00 0.00 178.00 179.80 1a6s n SER 22 N -4.82 0.00 -4.88 1.44 2.88 -1.26 -5.10 113.62 101.87 1a6s n SER 22 Ca -0.08 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.16 1a6s n SER 22 Cb 0.29 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.77 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 3.33 0.00 -1.46 -0.14 -1.26 -3.88 119.74 116.33 1a6s s LYS 23 Ca 0.00 0.61 0.00 0.00 -1.36 0.00 0.00 55.97 55.22 1a6s s LYS 23 Cb 0.00 -2.08 0.00 0.00 -1.68 0.00 0.00 37.83 34.07 1a6s s LYS 23 CO 0.00 -0.71 0.00 1.63 -0.76 0.00 0.00 175.35 175.51 1a6s n LYS 24 N -2.81 0.00 0.00 1.68 5.02 -1.26 -4.56 118.16 116.23 1a6s n LYS 24 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1a6s n LYS 24 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 1a6s n LYS 24 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1a6s n GLU 25 N 0.00 0.00 -0.13 1.97 0.28 -1.26 0.95 120.64 122.45 1a6s n GLU 25 Ca 0.00 0.07 0.19 0.00 -0.16 0.00 0.00 57.16 57.26 1a6s n GLU 25 Cb 0.00 -0.42 0.59 0.00 1.43 0.00 0.00 31.44 33.04 1a6s n GLU 25 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1a6s h ILE 26 N 0.00 0.72 0.00 3.84 2.04 -1.77 -1.91 117.51 120.43 1a6s h ILE 26 Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1a6s h ILE 26 Cb 0.00 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1a6s h ILE 26 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 178.15 178.80 1a6s n GLY 27 N -1.58 -3.21 0.28 5.37 0.00 0.89 -0.99 105.19 105.95 1a6s n GLY 27 Ca 0.14 0.38 0.07 0.00 0.00 0.00 0.00 46.02 46.62 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 -1.87 1.05 -0.90 4.61 0.00 0.75 2.91 119.26 125.81 1a6s h ALA 28 Ca 0.00 0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.24 1a6s h ALA 28 Cb 0.00 0.23 -0.15 0.00 0.00 0.00 0.00 17.79 17.86 1a6s h ALA 28 CO 0.00 -0.35 -0.34 1.98 0.00 0.00 0.00 179.25 180.55 1a6s h MET 29 N 0.29 -0.03 0.00 0.00 -1.53 -0.99 4.62 114.93 117.28 1a6s h MET 29 Ca 0.45 0.00 -0.15 0.00 -3.44 0.00 0.00 59.70 56.57 1a6s h MET 29 Cb 0.79 0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.83 1a6s h MET 29 CO -0.53 -0.02 -1.15 1.28 0.14 0.00 0.00 176.91 176.63 1a6s n LEU 30 N -5.49 1.87 -0.08 3.39 4.32 -0.11 -3.42 117.00 117.47 1a6s n LEU 30 Ca 0.10 0.47 -0.08 0.00 -0.02 0.00 0.00 56.01 56.49 1a6s n LEU 30 Cb 0.41 -0.87 -0.00 0.00 -1.62 0.00 0.00 43.42 41.33 1a6s n LEU 30 CO -0.09 -0.04 0.95 -1.28 -1.22 0.00 0.00 177.39 175.70 1a6s h SER 31 N -1.00 0.17 0.32 -1.43 0.87 0.52 6.13 113.55 119.13 1a6s h SER 31 Ca -0.22 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1a6s h SER 31 Cb 1.01 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 1a6s h SER 31 CO -0.13 0.14 -0.30 0.25 -0.53 0.00 0.00 176.83 176.25 1a6s h LEU 32 N 0.28 -0.82 0.37 2.23 7.12 0.92 1.59 115.31 126.99 1a6s h LEU 32 Ca 0.13 0.06 -0.02 0.00 0.13 0.00 0.00 57.88 58.19 1a6s h LEU 32 Cb 0.07 0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1a6s h LEU 32 CO -0.11 -0.40 -0.18 -0.07 -0.13 0.00 0.00 178.44 177.55 1a6s h LEU 33 N -0.61 -0.42 0.00 2.25 -0.00 -1.18 0.18 115.31 115.53 1a6s h LEU 33 Ca -0.04 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1a6s h LEU 33 Cb 0.53 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1a6s h LEU 33 CO -0.03 -0.05 0.00 1.67 -0.00 0.00 0.00 178.44 180.03 1a6s n GLN 34 N -5.17 0.25 -1.24 1.13 0.00 1.99 0.04 117.38 114.37 1a6s n GLN 34 Ca -0.10 0.00 0.03 0.00 -0.00 0.00 0.00 57.00 56.93 1a6s n GLN 34 Cb 0.28 -1.26 0.01 0.00 0.00 0.00 0.00 30.24 29.27 1a6s n GLN 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1a6s n LYS 35 N -0.76 0.00 0.00 3.69 0.00 0.54 -4.67 118.16 116.96 1a6s n LYS 35 Ca 0.03 -1.72 0.00 0.00 0.00 0.00 0.00 58.31 56.62 1a6s n LYS 35 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 35.03 34.94 1a6s n LYS 35 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1a6s n GLU 36 N 0.36 0.00 0.00 1.64 1.02 0.58 -4.81 120.64 119.43 1a6s n GLU 36 Ca 0.03 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 1a6s n GLU 36 Cb 1.03 -0.38 0.00 0.00 -0.02 0.00 0.00 31.44 32.07 1a6s n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a6s n GLY 37 N 0.00 1.70 2.58 0.62 0.00 -1.04 -4.49 105.19 104.57 1a6s n GLY 37 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 2.83 -1.44 0.99 7.99 0.11 -4.79 117.00 122.69 1a6s n LEU 38 Ca 0.00 -4.32 0.10 0.00 -0.01 0.00 0.00 56.01 51.77 1a6s n LEU 38 Cb 0.00 0.06 0.33 0.00 -0.11 0.00 0.00 43.42 43.69 1a6s n LEU 38 CO 0.00 1.83 0.78 -0.11 -1.51 0.00 0.00 177.39 178.38 1a6s n LEU 39 N -0.25 4.25 -1.94 2.23 0.00 -1.26 -3.61 117.00 116.42 1a6s n LEU 39 Ca 0.22 -2.14 -0.00 0.00 0.00 0.00 0.00 56.01 54.09 1a6s n LEU 39 Cb 0.76 -0.53 0.34 0.00 0.00 0.00 0.00 43.42 43.99 1a6s n LEU 39 CO 0.29 0.81 0.95 0.80 0.00 0.00 0.00 177.39 180.25 1a6s n MET 40 N 1.21 4.20 0.00 1.96 1.56 -1.26 -5.00 117.12 119.79 1a6s n MET 40 Ca 0.24 -3.03 0.00 0.00 -0.27 0.00 0.00 57.70 54.64 1a6s n MET 40 Cb 0.76 -2.23 0.00 0.00 2.15 0.00 0.00 33.22 33.90 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 0.21 0.00 0.00 6.12 2.88 -1.26 -4.80 113.62 116.77 1a6s n SER 41 Ca 0.34 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 58.00 1a6s n SER 41 Cb 1.29 0.00 0.64 0.00 -0.75 0.00 0.00 64.21 65.38 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 1.44 0.52 0.25 -1.46 -0.04 -1.26 -2.89 135.00 131.56 1a6s n PRO 42 Ca 0.00 0.04 0.17 0.00 -0.04 0.00 0.00 63.50 63.67 1a6s n PRO 42 Cb 0.00 -1.50 0.78 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.00 0.00 -0.72 3.54 0.02 -1.87 -3.11 113.55 111.42 1a6s h SER 43 Ca 0.00 0.00 0.29 0.00 -0.84 0.00 0.00 61.79 61.24 1a6s h SER 43 Cb 0.11 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.53 1a6s h SER 43 CO 0.00 0.00 0.40 -0.67 -1.14 0.00 0.00 176.83 175.42 1a6s n ASP 44 N -2.80 0.23 -0.25 3.07 2.03 -1.14 0.53 116.55 118.22 1a6s n ASP 44 Ca -0.00 1.12 0.27 0.00 0.52 0.00 0.00 54.79 56.70 1a6s n ASP 44 Cb 0.19 -0.55 0.64 0.00 -0.72 0.00 0.00 41.12 40.67 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 0.19 0.00 -2.67 6.46 -1.78 0.66 115.31 118.16 1a6s h LEU 45 Ca 0.59 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.38 1a6s h LEU 45 Cb 1.59 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.52 1a6s h LEU 45 CO -0.51 0.05 0.04 -1.22 -0.62 0.00 0.00 178.44 176.19 1a6s n TYR 46 N -4.38 0.00 -4.26 1.25 4.01 2.05 -4.47 117.16 111.35 1a6s n TYR 46 Ca 0.22 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.66 1a6s n TYR 46 Cb 0.95 -0.17 -0.10 0.00 -0.31 0.00 0.00 39.34 39.71 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 -2.21 4.35 -0.19 7.72 0.15 0.23 -5.08 113.70 118.65 1a6s s SER 47 Ca 0.00 -0.39 -0.29 0.00 0.70 0.00 0.00 55.95 55.97 1a6s s SER 47 Cb 0.00 -0.82 -0.01 0.00 -1.71 0.00 0.00 66.02 63.48 1a6s s SER 47 CO 0.00 0.19 1.29 -2.16 1.20 0.00 0.00 173.24 173.76 1a6s s PRO 48 N -2.13 4.15 -0.11 5.44 0.04 -1.26 -3.35 135.00 137.78 1a6s s PRO 48 Ca 0.21 1.59 -0.00 0.00 0.04 0.00 0.00 61.00 62.83 1a6s s PRO 48 Cb -0.11 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1a6s s PRO 48 CO 0.13 -0.82 0.10 0.41 0.04 0.00 0.00 177.00 176.86 1a6s n GLY 49 N 3.80 0.41 0.21 0.56 0.00 -1.26 -4.94 105.19 103.97 1a6s n GLY 49 Ca 0.14 -0.44 0.15 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 -0.97 0.67 -0.18 1.61 7.64 -1.21 -2.77 113.62 118.40 1a6s n SER 50 Ca -0.02 -1.19 0.11 0.00 1.01 0.00 0.00 58.87 58.78 1a6s n SER 50 Cb 0.51 -0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.74 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 -0.49 0.00 0.14 1.43 7.02 -1.26 -3.90 117.44 120.38 1a6s n TRP 51 Ca 0.21 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.71 1a6s n TRP 51 Cb 0.23 -0.05 0.11 0.00 -2.42 0.00 0.00 31.31 29.17 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 0.87 0.00 0.38 -0.99 -0.00 -1.92 -2.10 116.42 112.66 1a6s h ASP 52 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.03 56.83 1a6s h ASP 52 Cb 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.90 1a6s h ASP 52 CO 0.00 0.55 -0.84 1.55 -0.00 0.00 0.00 179.24 180.50 1a6s h PRO 53 N 0.00 0.34 0.00 0.28 0.13 -1.74 -2.86 132.00 128.16 1a6s h PRO 53 Ca -0.01 -0.33 -0.10 0.00 -0.87 0.00 0.00 66.00 64.69 1a6s h PRO 53 Cb 1.28 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1a6s h PRO 53 CO 0.07 1.01 -0.46 0.97 -0.23 0.00 0.00 178.00 179.36 1a6s h ILE 54 N 0.21 0.81 0.47 -3.56 2.10 -1.72 -1.96 117.51 113.86 1a6s h ILE 54 Ca -0.05 -2.09 -0.02 0.00 1.08 0.00 0.00 64.86 63.78 1a6s h ILE 54 Cb 1.45 2.36 0.00 0.00 -1.09 0.00 0.00 36.82 39.54 1a6s h ILE 54 CO 0.14 0.45 -0.22 0.74 -1.08 0.00 0.00 178.15 178.18 1a6s h THR 55 N 0.00 0.44 0.00 2.19 2.02 -1.29 -2.81 112.91 113.46 1a6s h THR 55 Ca -0.00 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1a6s h THR 55 Cb 1.32 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1a6s h THR 55 CO 0.06 0.06 0.00 0.00 0.37 0.00 0.00 175.52 176.01 1a6s n ALA 56 N -2.54 1.98 -0.62 6.16 0.00 -1.09 -2.82 120.51 121.59 1a6s n ALA 56 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1a6s n ALA 56 Cb 0.30 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1a6s n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6s n ALA 57 N -1.65 -0.18 -0.29 0.00 0.00 -0.74 0.20 120.51 117.85 1a6s n ALA 57 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.60 1a6s n ALA 57 Cb 0.29 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.09 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 0.71 -0.47 0.00 -0.00 -1.63 0.21 115.31 114.13 1a6s h LEU 58 Ca 0.00 0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1a6s h LEU 58 Cb 0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.54 1a6s h LEU 58 CO 0.00 0.36 0.23 -1.28 -0.00 0.00 0.00 178.44 177.75 1a6s h SER 59 N 0.75 0.61 1.03 0.17 0.87 -1.50 6.70 113.55 122.19 1a6s h SER 59 Ca 0.46 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1a6s h SER 59 Cb 0.68 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1a6s h SER 59 CO -0.22 0.56 0.00 1.56 -0.53 0.00 0.00 176.83 178.20 1a6s h GLN 60 N 0.62 0.00 -0.50 2.24 1.08 0.46 -3.33 115.11 115.68 1a6s h GLN 60 Ca 0.16 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 57.06 1a6s h GLN 60 Cb 0.11 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 27.33 1a6s h GLN 60 CO -0.02 0.00 -0.63 0.54 -0.95 0.00 0.00 178.83 177.77 1a6s n ARG 61 N -2.79 0.97 -0.00 1.46 5.12 0.51 -4.93 116.66 117.00 1a6s n ARG 61 Ca 0.02 -2.26 0.16 0.00 -1.93 0.00 0.00 57.85 53.83 1a6s n ARG 61 Cb 0.31 -1.23 0.87 0.00 -1.16 0.00 0.00 32.46 31.25 1a6s n ARG 61 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1a6s n ALA 62 N 0.55 2.67 1.22 7.54 0.00 2.15 -3.12 120.51 131.52 1a6s n ALA 62 Ca 0.11 -0.24 0.13 0.00 0.00 0.00 0.00 53.44 53.45 1a6s n ALA 62 Cb 0.68 -1.46 0.67 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.81 0.31 -0.00 0.00 2.00 -1.26 -2.49 117.12 114.86 1a6s n MET 63 Ca 0.23 0.03 0.10 0.00 0.00 0.00 0.00 57.70 58.06 1a6s n MET 63 Cb 0.15 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 31.73 1a6s n MET 63 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 1a6s n ILE 64 N -1.33 0.00 -4.38 2.02 -5.35 -1.18 -4.02 119.36 105.12 1a6s n ILE 64 Ca 0.12 -0.23 -0.19 0.00 -0.27 0.00 0.00 62.75 62.17 1a6s n ILE 64 Cb 0.24 0.56 -0.14 0.00 -1.74 0.00 0.00 39.64 38.56 1a6s n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1a6s s LEU 65 N -3.62 2.12 0.00 7.28 1.43 -1.04 -0.44 118.68 124.40 1a6s s LEU 65 Ca 0.01 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1a6s s LEU 65 Cb 0.14 -0.56 0.00 0.00 0.03 0.00 0.00 46.19 45.81 1a6s s LEU 65 CO 0.84 0.05 0.00 0.61 0.23 0.00 0.00 176.35 178.08 1a6s n GLY 66 N 2.21 2.90 0.70 -3.19 0.00 -1.26 -3.83 105.19 102.72 1a6s n GLY 66 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.54 0.00 -0.00 1.61 4.81 -1.26 -4.79 118.16 117.98 1a6s n LYS 67 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 1a6s n LYS 67 Cb 0.00 -0.64 -0.09 0.00 0.02 0.00 0.00 35.03 34.32 1a6s n LYS 67 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1a6s n SER 68 N -2.78 1.55 0.00 3.14 7.64 -1.26 -4.97 113.62 116.95 1a6s n SER 68 Ca 0.00 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.58 1a6s n SER 68 Cb 0.47 1.35 0.00 0.00 -1.01 0.00 0.00 64.21 65.02 1a6s n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6s n GLY 69 N 1.60 1.56 0.00 0.23 0.00 0.41 -4.85 105.19 104.14 1a6s n GLY 69 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.33 1.61 4.07 -1.26 -4.10 120.64 121.29 1a6s n GLU 70 Ca 0.00 0.00 0.20 0.00 -0.06 0.00 0.00 57.16 57.30 1a6s n GLU 70 Cb 0.00 0.00 1.09 0.00 -0.06 0.00 0.00 31.44 32.47 1a6s n GLU 70 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1a6s h LEU 71 N 0.00 0.00 -0.75 4.31 6.46 -1.87 -1.47 115.31 121.99 1a6s h LEU 71 Ca 0.00 0.00 0.16 0.00 -0.12 0.00 0.00 57.88 57.92 1a6s h LEU 71 Cb 0.00 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 39.82 1a6s h LEU 71 CO 0.00 0.00 0.22 0.50 -0.62 0.00 0.00 178.44 178.54 1a6s h LYS 72 N 0.00 0.30 -0.83 1.25 3.64 -1.94 0.35 116.57 119.34 1a6s h LYS 72 Ca 0.01 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1a6s h LYS 72 Cb 0.17 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.86 1a6s h LYS 72 CO -0.00 0.20 0.50 1.15 -2.27 0.00 0.00 179.45 179.02 1a6s h THR 73 N 0.31 0.98 -0.25 1.00 2.02 -1.69 -1.22 112.91 114.06 1a6s h THR 73 Ca 0.43 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 67.34 1a6s h THR 73 Cb 0.73 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1a6s h THR 73 CO -0.50 0.16 0.05 -0.25 0.37 0.00 0.00 175.52 175.36 1a6s h TRP 74 N 0.88 0.09 -0.93 3.16 7.01 -0.49 -1.82 115.95 123.85 1a6s h TRP 74 Ca 0.38 0.01 0.17 0.00 2.11 0.00 0.00 58.89 61.56 1a6s h TRP 74 Cb 0.25 -0.00 -0.17 0.00 -2.10 0.00 0.00 29.16 27.14 1a6s h TRP 74 CO -0.05 0.03 -0.28 0.41 -2.79 0.00 0.00 178.44 175.76 1a6s n GLY 75 N -1.19 -1.68 0.29 2.65 0.00 -0.47 0.38 105.19 105.17 1a6s n GLY 75 Ca -0.01 1.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.95 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 0.84 0.33 0.99 3.38 -1.32 4.18 115.31 123.71 1a6s h LEU 76 Ca 0.40 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1a6s h LEU 76 Cb 0.63 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1a6s h LEU 76 CO -0.94 0.94 -0.16 1.62 0.09 0.00 0.00 178.44 179.99 1a6s h VAL 77 N 0.78 0.44 0.29 1.22 3.04 0.37 -2.92 116.25 119.48 1a6s h VAL 77 Ca 0.14 -0.75 -0.01 0.00 -1.01 0.00 0.00 66.70 65.06 1a6s h VAL 77 Cb 0.56 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1a6s h VAL 77 CO 0.03 0.10 -0.14 0.25 -1.01 0.00 0.00 177.57 176.80 1a6s h LEU 78 N -0.97 -0.33 -1.38 3.16 7.12 0.70 -3.20 115.31 120.40 1a6s h LEU 78 Ca -0.05 -0.05 0.43 0.00 0.13 0.00 0.00 57.88 58.35 1a6s h LEU 78 Cb 0.50 0.09 -0.09 0.00 -0.53 0.00 0.00 40.66 40.63 1a6s h LEU 78 CO 0.07 0.13 0.95 0.61 -0.13 0.00 0.00 178.44 180.08 1a6s n GLY 79 N 0.70 -0.75 0.06 3.75 0.00 1.38 0.28 105.19 110.61 1a6s n GLY 79 Ca -0.06 0.59 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 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 1.04 -0.02 -0.76 4.61 0.00 -1.51 -0.22 119.26 122.40 1a6s h ALA 80 Ca 0.75 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.58 1a6s h ALA 80 Cb 2.72 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 20.43 1a6s h ALA 80 CO -0.19 -0.30 0.32 1.25 0.00 0.00 0.00 179.25 180.34 1a6s h LEU 81 N -0.45 0.33 -1.27 0.00 7.12 0.41 0.93 115.31 122.39 1a6s h LEU 81 Ca -0.00 0.10 -0.03 0.00 0.13 0.00 0.00 57.88 58.08 1a6s h LEU 81 Cb 0.43 0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1a6s h LEU 81 CO 0.00 0.13 -0.16 0.11 -0.13 0.00 0.00 178.44 178.40 1a6s h LYS 82 N 0.48 0.00 -0.14 1.25 6.56 -1.22 -2.44 116.57 121.06 1a6s h LYS 82 Ca 0.42 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.85 1a6s h LYS 82 Cb 0.61 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.26 1a6s h LYS 82 CO -0.39 0.16 -0.55 0.00 -2.06 0.00 0.00 179.45 176.61 1a6s h ALA 83 N 1.84 0.79 -0.09 3.86 0.00 0.27 -1.02 119.26 124.90 1a6s h ALA 83 Ca -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1a6s h ALA 83 Cb 0.65 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1a6s h ALA 83 CO 0.02 0.69 0.03 0.00 0.00 0.00 0.00 179.25 179.99 1a6s h ALA 84 N 1.08 0.12 0.00 0.00 0.00 -0.48 -0.35 119.26 119.63 1a6s h ALA 84 Ca 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1a6s h ALA 84 Cb 1.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1a6s h ALA 84 CO 0.10 -0.27 -0.12 0.00 0.00 0.00 0.00 179.25 178.95 1a6s h ARG 85 N -0.05 0.00 -0.00 0.00 2.47 -1.46 -2.22 114.38 113.12 1a6s h ARG 85 Ca 0.03 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.55 1a6s h ARG 85 Cb 0.21 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 1a6s h ARG 85 CO -0.00 0.12 -0.86 1.49 0.56 0.00 0.00 179.97 181.28 1a6s h GLU 86 N 0.00 0.20 0.00 0.04 4.22 -0.57 -3.51 114.58 114.96 1a6s h GLU 86 Ca -0.00 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 59.22 1a6s h GLU 86 Cb 0.47 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1a6s h GLU 86 CO 0.02 0.94 0.00 -1.91 -2.18 0.00 0.00 179.01 175.88