#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iyr n GLY 6 N 0.00 1.82 3.80 3.38 0.00 -1.26 -5.09 105.19 107.84 1iyr n GLY 6 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1iyr n GLY 6 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1iyr s ILE 7 N -2.00 4.64 0.02 -0.61 1.10 -1.26 -5.00 121.20 118.09 1iyr s ILE 7 Ca 0.00 1.34 -0.35 0.00 -0.51 0.00 0.00 60.65 61.13 1iyr s ILE 7 Cb 0.00 -3.96 -0.14 0.00 0.15 0.00 0.00 42.46 38.51 1iyr s ILE 7 CO 0.00 0.53 1.65 -1.54 -2.11 0.00 0.00 174.94 173.47 1iyr n SER 8 N 1.64 2.85 -4.55 4.50 3.41 -1.26 -4.89 113.62 115.33 1iyr n SER 8 Ca -0.09 1.05 -0.42 0.00 -0.26 0.00 0.00 58.87 59.16 1iyr n SER 8 Cb 0.50 -1.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.09 1iyr n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iyr s ARG 9 N 2.13 3.35 0.39 4.33 1.70 -1.26 -4.99 118.95 124.59 1iyr s ARG 9 Ca 0.87 -0.07 0.04 0.00 -0.47 0.00 0.00 55.73 56.09 1iyr s ARG 9 Cb -0.78 -4.09 -0.05 0.00 -0.57 0.00 0.00 34.95 29.46 1iyr s ARG 9 CO 0.47 -1.82 0.07 -1.21 -1.08 0.00 0.00 175.30 171.73 1iyr s GLU 10 N 5.00 1.85 0.98 3.89 2.02 -1.26 -5.13 118.70 126.05 1iyr s GLU 10 Ca 0.37 -2.09 -0.14 0.00 0.02 0.00 0.00 54.97 53.14 1iyr s GLU 10 Cb -0.09 -0.96 0.06 0.00 0.10 0.00 0.00 34.13 33.24 1iyr s GLU 10 CO 0.20 -0.29 0.40 2.41 0.02 0.00 0.00 175.26 177.99 1iyr n THR 11 N -0.87 0.00 -2.12 3.63 -1.04 -1.26 -4.76 114.28 107.85 1iyr n THR 11 Ca -0.06 -0.20 -0.29 0.00 -2.04 0.00 0.00 64.05 61.45 1iyr n THR 11 Cb 0.66 -0.65 -0.05 0.00 -1.82 0.00 0.00 70.33 68.47 1iyr n THR 11 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1iyr s SER 12 N -2.03 5.29 0.28 8.00 1.04 -1.26 -4.90 113.70 120.11 1iyr s SER 12 Ca 0.58 -1.22 0.07 0.00 0.48 0.00 0.00 55.95 55.85 1iyr s SER 12 Cb -0.20 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.29 1iyr s SER 12 CO 0.67 -2.70 -0.07 -0.55 0.98 0.00 0.00 173.24 171.56 1iyr s SER 13 N 6.99 2.84 -0.58 7.02 0.15 -1.26 -5.11 113.70 123.75 1iyr s SER 13 Ca 0.67 -1.17 -0.11 0.00 0.70 0.00 0.00 55.95 56.04 1iyr s SER 13 Cb -0.03 -0.18 0.15 0.00 -1.71 0.00 0.00 66.02 64.24 1iyr s SER 13 CO 0.05 -0.30 0.48 -0.62 1.20 0.00 0.00 173.24 174.04 1iyr s ASP 14 N -3.44 5.97 -0.29 5.45 -1.08 -1.26 -4.98 116.67 117.03 1iyr s ASP 14 Ca 0.29 -2.16 -0.02 0.00 -0.52 0.00 0.00 52.55 50.14 1iyr s ASP 14 Cb 0.03 -2.08 0.17 0.00 -1.46 0.00 0.00 42.92 39.59 1iyr s ASP 14 CO 0.12 -0.67 0.56 0.68 0.52 0.00 0.00 175.17 176.38 1iyr s VAL 15 N 1.00 -0.92 -0.76 1.11 -7.23 -1.26 -5.10 120.40 107.24 1iyr s VAL 15 Ca 0.09 -0.01 -0.19 0.00 -1.81 0.00 0.00 61.98 60.06 1iyr s VAL 15 Cb -0.23 -0.96 0.12 0.00 0.56 0.00 0.00 36.38 35.87 1iyr s VAL 15 CO -0.02 -0.02 0.93 0.00 -0.31 0.00 0.00 175.10 175.67 1iyr s ALA 16 N 2.80 3.41 -0.33 1.32 0.00 -1.26 -4.87 121.76 122.83 1iyr s ALA 16 Ca 0.17 -2.49 0.02 0.00 0.00 0.00 0.00 51.96 49.67 1iyr s ALA 16 Cb -0.15 -3.79 0.19 0.00 0.00 0.00 0.00 23.12 19.37 1iyr s ALA 16 CO -0.20 -2.67 0.72 -0.48 0.00 0.00 0.00 175.76 173.13 1iyr s LEU 17 N 2.67 -1.29 0.71 0.00 0.05 -1.26 -5.16 118.68 114.40 1iyr s LEU 17 Ca 0.22 -0.12 -0.16 0.00 0.05 0.00 0.00 54.13 54.12 1iyr s LEU 17 Cb -0.14 1.75 -0.01 0.00 -2.05 0.00 0.00 46.19 45.74 1iyr s LEU 17 CO -0.01 -0.21 0.82 0.00 -0.55 0.00 0.00 176.35 176.41 1iyr n ALA 18 N 4.95 -0.65 -0.14 1.48 0.00 -1.26 -4.81 120.51 120.08 1iyr n ALA 18 Ca 0.07 -0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.44 1iyr n ALA 18 Cb 0.56 -2.03 0.47 0.00 0.00 0.00 0.00 19.45 18.46 1iyr n ALA 18 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iyr h SER 19 N -0.26 0.45 -0.78 0.00 0.87 -1.96 -0.01 113.55 111.86 1iyr h SER 19 Ca -0.47 0.01 0.22 0.00 -1.23 0.00 0.00 61.79 60.33 1iyr h SER 19 Cb 1.34 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 1iyr h SER 19 CO 0.46 0.26 0.55 -0.74 -0.53 0.00 0.00 176.83 176.83 1iyr h HIS 20 N 0.49 0.07 0.05 2.24 -0.00 -2.00 0.44 115.15 116.44 1iyr h HIS 20 Ca 0.33 0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 60.46 1iyr h HIS 20 Cb 0.61 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.99 1iyr h HIS 20 CO -0.00 0.02 -1.13 0.82 -0.00 0.00 0.00 177.93 177.63 1iyr h ILE 21 N 0.05 1.59 -0.09 6.26 2.04 -1.32 -3.28 117.51 122.76 1iyr h ILE 21 Ca 0.37 -3.25 -0.13 0.00 1.00 0.00 0.00 64.86 62.86 1iyr h ILE 21 Cb 1.42 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 40.35 1iyr h ILE 21 CO -0.02 0.93 -0.53 -0.07 0.00 0.00 0.00 178.15 178.45 1iyr h LEU 22 N 0.03 0.28 0.03 1.44 3.38 -0.12 -0.65 115.31 119.69 1iyr h LEU 22 Ca -0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1iyr h LEU 22 Cb 1.86 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1iyr h LEU 22 CO 0.16 0.75 -0.02 0.74 0.09 0.00 0.00 178.44 180.17 1iyr h THR 23 N 0.20 1.08 0.00 0.22 2.02 -1.13 0.32 112.91 115.62 1iyr h THR 23 Ca 0.00 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 1iyr h THR 23 Cb 1.00 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 1iyr h THR 23 CO 0.08 0.09 -0.39 0.00 0.37 0.00 0.00 175.52 175.67 1iyr h ALA 24 N 0.77 1.22 -0.06 6.16 0.00 -1.61 -1.72 119.26 124.02 1iyr h ALA 24 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1iyr h ALA 24 Cb 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1iyr h ALA 24 CO 0.01 0.49 -0.05 -0.07 0.00 0.00 0.00 179.25 179.62 1iyr h LEU 25 N 0.00 0.16 -0.91 0.00 3.38 -0.69 1.79 115.31 119.04 1iyr h LEU 25 Ca -0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1iyr h LEU 25 Cb 0.75 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1iyr h LEU 25 CO 0.05 0.59 0.00 -0.09 0.09 0.00 0.00 178.44 179.09 1iyr h ARG 26 N -0.28 0.00 0.00 1.13 2.43 0.60 -3.40 114.38 114.86 1iyr h ARG 26 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1iyr h ARG 26 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1iyr h ARG 26 CO 0.01 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.86 1iyr n GLU 27 N -2.39 0.00 -3.18 0.20 -0.58 -0.66 -4.76 120.64 109.28 1iyr n GLU 27 Ca 0.02 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.52 1iyr n GLU 27 Cb 0.23 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.04 1iyr n GLU 27 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1iyr n LYS 28 N -1.61 1.84 -3.04 3.49 3.00 0.14 -5.04 118.16 116.95 1iyr n LYS 28 Ca 0.00 -4.02 -0.42 0.00 -0.00 0.00 0.00 58.31 53.87 1iyr n LYS 28 Cb 0.00 -1.85 -0.06 0.00 0.00 0.00 0.00 35.03 33.12 1iyr n LYS 28 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1iyr s GLN 29 N -2.39 3.77 -1.07 1.64 1.03 0.56 -4.82 119.66 118.38 1iyr s GLN 29 Ca 0.41 0.24 -0.11 0.00 0.04 0.00 0.00 55.36 55.94 1iyr s GLN 29 Cb 0.24 -3.79 0.24 0.00 0.03 0.00 0.00 33.01 29.73 1iyr s GLN 29 CO -0.09 -0.74 1.11 0.00 -2.54 0.00 0.00 175.29 173.03 1iyr s ALA 30 N 2.85 4.43 0.00 2.60 0.00 -1.26 -4.88 121.76 125.50 1iyr s ALA 30 Ca 0.28 -3.61 -0.00 0.00 0.00 0.00 0.00 51.96 48.62 1iyr s ALA 30 Cb -0.14 -3.68 -0.01 0.00 0.00 0.00 0.00 23.12 19.29 1iyr s ALA 30 CO 0.15 -2.36 1.03 -0.35 0.00 0.00 0.00 175.76 174.23 1iyr n PRO 31 N 3.64 0.51 0.00 0.00 -0.04 -1.26 -2.31 135.00 135.53 1iyr n PRO 31 Ca 0.24 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1iyr n PRO 31 Cb 0.42 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1iyr n PRO 31 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1iyr n GLU 32 N 1.83 0.00 0.00 0.54 0.28 -1.10 -3.15 120.64 119.05 1iyr n GLU 32 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1iyr n GLU 32 Cb 0.25 -0.10 0.00 0.00 1.43 0.00 0.00 31.44 33.02 1iyr n GLU 32 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1iyr n LEU 33 N -1.89 0.00 -0.05 -1.84 7.94 -1.24 -3.35 117.00 116.58 1iyr n LEU 33 Ca 0.00 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 1iyr n LEU 33 Cb 0.00 0.00 0.37 0.00 0.53 0.00 0.00 43.42 44.32 1iyr n LEU 33 CO 0.00 0.00 1.16 -1.28 -1.11 0.00 0.00 177.39 176.16 1iyr h SER 34 N 0.00 0.57 -5.26 1.96 0.87 -1.83 -3.44 113.55 106.42 1iyr h SER 34 Ca 0.00 -0.02 -0.36 0.00 -1.23 0.00 0.00 61.79 60.18 1iyr h SER 34 Cb 0.13 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1iyr h SER 34 CO 0.00 0.43 -0.14 0.00 -0.53 0.00 0.00 176.83 176.59 1iyr n LEU 35 N -4.44 0.00 0.00 2.23 -0.00 -1.14 -4.99 117.00 108.66 1iyr n LEU 35 Ca 0.04 -1.82 0.00 0.00 -0.00 0.00 0.00 56.01 54.23 1iyr n LEU 35 Cb 0.07 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 1iyr n LEU 35 CO 0.36 -0.53 0.00 -0.24 -0.00 0.00 0.00 177.39 176.98 1iyr n SER 36 N -2.11 0.57 -0.06 1.45 2.88 -1.26 -4.89 113.62 110.20 1iyr n SER 36 Ca 0.03 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.43 1iyr n SER 36 Cb 0.41 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.80 1iyr n SER 36 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1iyr h SER 37 N 0.00 0.51 0.59 -3.46 0.02 -1.99 -2.84 113.55 106.38 1iyr h SER 37 Ca 0.00 -0.50 -0.21 0.00 -0.84 0.00 0.00 61.79 60.24 1iyr h SER 37 Cb 0.00 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1iyr h SER 37 CO 0.00 0.91 -0.92 1.56 -1.14 0.00 0.00 176.83 177.24 1iyr h GLN 38 N 0.13 0.21 0.06 3.45 4.20 -1.97 -1.23 115.11 119.96 1iyr h GLN 38 Ca 0.02 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1iyr h GLN 38 Cb 0.78 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1iyr h GLN 38 CO 0.05 0.99 -0.03 -0.44 -0.67 0.00 0.00 178.83 178.74 1iyr h ASP 39 N 0.11 -0.07 0.60 1.46 3.32 -1.95 0.36 116.42 120.24 1iyr h ASP 39 Ca -0.05 -0.30 -0.09 0.00 0.02 0.00 0.00 57.03 56.61 1iyr h ASP 39 Cb 1.57 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 1iyr h ASP 39 CO 0.14 0.27 -0.41 0.25 -1.72 0.00 0.00 179.24 177.77 1iyr h LEU 40 N -0.42 0.00 0.17 1.55 6.46 -1.60 -1.85 115.31 119.62 1iyr h LEU 40 Ca -0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1iyr h LEU 40 Cb 0.37 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1iyr h LEU 40 CO 0.01 0.41 -0.08 -0.08 -0.62 0.00 0.00 178.44 178.08 1iyr h GLU 41 N 0.00 -0.22 -0.44 1.25 4.81 -1.05 0.37 114.58 119.30 1iyr h GLU 41 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1iyr h GLU 41 Cb 0.82 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 1iyr h GLU 41 CO 0.05 0.18 0.28 1.25 -0.73 0.00 0.00 179.01 180.04 1iyr h LEU 42 N -0.90 0.51 -0.12 1.64 6.46 -0.31 -1.52 115.31 121.06 1iyr h LEU 42 Ca -0.02 -0.02 -0.24 0.00 -0.12 0.00 0.00 57.88 57.48 1iyr h LEU 42 Cb 0.50 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1iyr h LEU 42 CO 0.04 0.37 -0.87 1.62 -0.62 0.00 0.00 178.44 178.99 1iyr h VAL 43 N 0.59 1.28 0.00 1.05 3.04 -1.39 -2.43 116.25 118.40 1iyr h VAL 43 Ca 0.16 -2.08 0.00 0.00 -1.01 0.00 0.00 66.70 63.77 1iyr h VAL 43 Cb -0.05 2.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 1iyr h VAL 43 CO -0.03 0.65 0.00 0.71 -1.01 0.00 0.00 177.57 177.89 1iyr h THR 44 N 0.48 0.00 -0.02 3.17 1.35 -0.12 0.73 112.91 118.50 1iyr h THR 44 Ca -0.08 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1iyr h THR 44 Cb 1.50 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1iyr h THR 44 CO 0.17 0.00 -0.34 1.17 -0.25 0.00 0.00 175.52 176.27 1iyr n LYS 45 N -2.64 1.34 -3.19 4.72 4.81 -0.65 -4.48 118.16 118.07 1iyr n LYS 45 Ca -0.01 -1.06 -0.40 0.00 -0.87 0.00 0.00 58.31 55.97 1iyr n LYS 45 Cb 0.11 -1.48 -0.01 0.00 0.02 0.00 0.00 35.03 33.67 1iyr n LYS 45 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1iyr n GLU 46 N 0.09 3.83 -0.50 1.64 1.02 0.25 -5.05 120.64 121.93 1iyr n GLU 46 Ca 0.11 -4.55 -0.29 0.00 -0.02 0.00 0.00 57.16 52.40 1iyr n GLU 46 Cb 0.46 -2.47 0.24 0.00 -0.02 0.00 0.00 31.44 29.65 1iyr n GLU 46 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1iyr n ASP 47 N 1.57 -2.35 -0.24 1.62 9.92 -1.26 -3.79 116.55 122.02 1iyr n ASP 47 Ca 0.26 -0.27 0.30 0.00 -0.53 0.00 0.00 54.79 54.55 1iyr n ASP 47 Cb 0.36 -1.11 0.50 0.00 -0.64 0.00 0.00 41.12 40.23 1iyr n ASP 47 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1iyr h PRO 48 N -2.65 0.00 0.29 -0.24 0.11 -1.94 0.66 132.00 128.23 1iyr h PRO 48 Ca -0.57 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 1iyr h PRO 48 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 1iyr h PRO 48 CO 0.42 0.00 -0.22 -0.22 -0.21 0.00 0.00 178.00 177.77 1iyr h LYS 49 N 0.00 -0.49 0.10 1.05 3.64 -1.97 2.22 116.57 121.12 1iyr h LYS 49 Ca 0.52 0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 59.63 1iyr h LYS 49 Cb 2.87 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 34.79 1iyr h LYS 49 CO -0.01 -0.33 -1.50 0.00 -2.27 0.00 0.00 179.45 175.34 1iyr h ALA 50 N 0.15 0.30 -1.00 5.00 0.00 -1.38 -3.26 119.26 119.07 1iyr h ALA 50 Ca -0.02 -1.11 0.04 0.00 0.00 0.00 0.00 54.91 53.82 1iyr h ALA 50 Cb 0.45 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1iyr h ALA 50 CO -0.01 1.17 0.66 1.25 0.00 0.00 0.00 179.25 182.32 1iyr h LEU 51 N 0.06 1.10 -0.12 0.00 5.85 -0.87 -0.12 115.31 121.19 1iyr h LEU 51 Ca -0.23 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1iyr h LEU 51 Cb 2.00 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.73 1iyr h LEU 51 CO 0.16 0.75 -0.38 0.00 -0.34 0.00 0.00 178.44 178.62 1iyr h ALA 52 N 1.41 -0.74 0.31 1.25 0.00 0.37 1.49 119.26 123.35 1iyr h ALA 52 Ca 0.40 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1iyr h ALA 52 Cb 0.01 0.90 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1iyr h ALA 52 CO -0.13 -0.89 -0.15 -0.24 0.00 0.00 0.00 179.25 177.84 1iyr h VAL 53 N -0.39 0.00 0.00 0.00 3.04 -1.57 1.16 116.25 118.49 1iyr h VAL 53 Ca 0.03 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1iyr h VAL 53 Cb 0.47 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.75 1iyr h VAL 53 CO -0.32 0.00 0.32 0.00 -1.01 0.00 0.00 177.57 176.55 1iyr n ALA 54 N -2.25 0.57 -2.50 3.17 0.00 -0.09 0.45 120.51 119.86 1iyr n ALA 54 Ca -0.05 0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 1iyr n ALA 54 Cb 0.17 -0.70 0.05 0.00 0.00 0.00 0.00 19.45 18.97 1iyr n ALA 54 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1iyr n LEU 55 N -1.91 2.06 -2.25 0.00 4.32 0.51 -1.63 117.00 118.09 1iyr n LEU 55 Ca -0.01 -3.10 -0.07 0.00 -0.02 0.00 0.00 56.01 52.81 1iyr n LEU 55 Cb 0.33 0.12 -0.07 0.00 -1.62 0.00 0.00 43.42 42.18 1iyr n LEU 55 CO 0.05 1.09 0.87 -3.20 -1.22 0.00 0.00 177.39 174.98 1iyr n ASN 56 N -0.36 -0.88 -1.33 -1.43 2.85 0.40 -4.68 115.26 109.83 1iyr n ASN 56 Ca 0.14 -0.46 -0.02 0.00 -0.11 0.00 0.00 54.58 54.12 1iyr n ASN 56 Cb 0.91 -0.29 -0.00 0.00 1.24 0.00 0.00 39.78 41.64 1iyr n ASN 56 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1iyr n TRP 57 N 2.68 -0.75 -2.13 1.20 8.01 -1.23 -5.05 117.44 120.17 1iyr n TRP 57 Ca 0.22 -0.37 -0.41 0.00 -1.31 0.00 0.00 57.50 55.63 1iyr n TRP 57 Cb 0.15 0.11 -0.02 0.00 -2.01 0.00 0.00 31.31 29.53 1iyr n TRP 57 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1iyr s ASP 58 N -1.36 6.80 0.25 -0.99 1.11 -1.26 -4.83 116.67 116.39 1iyr s ASP 58 Ca 0.04 2.65 -0.04 0.00 0.18 0.00 0.00 52.55 55.38 1iyr s ASP 58 Cb -0.00 -2.64 0.36 0.00 1.07 0.00 0.00 42.92 41.70 1iyr s ASP 58 CO 0.03 -0.53 1.85 0.16 1.18 0.00 0.00 175.17 177.87 1iyr h ILE 59 N 3.11 1.03 -0.01 0.77 3.07 -1.95 0.29 117.51 123.82 1iyr h ILE 59 Ca -0.48 -0.34 -0.07 0.00 1.55 0.00 0.00 64.86 65.52 1iyr h ILE 59 Cb 1.22 -0.05 -0.01 0.00 -0.27 0.00 0.00 36.82 37.72 1iyr h ILE 59 CO 0.67 0.18 -0.32 0.07 -1.05 0.00 0.00 178.15 177.70 1iyr h LYS 60 N 0.99 0.03 0.04 0.16 5.09 -1.99 -2.29 116.57 118.61 1iyr h LYS 60 Ca 0.39 -0.01 -0.24 0.00 0.09 0.00 0.00 60.65 60.88 1iyr h LYS 60 Cb 0.20 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.53 1iyr h LYS 60 CO -0.18 0.34 -1.04 -0.22 -2.09 0.00 0.00 179.45 176.26 1iyr h LYS 61 N 0.02 0.36 -0.10 0.07 3.11 -1.14 -2.70 116.57 116.19 1iyr h LYS 61 Ca 0.00 -0.44 -0.13 0.00 -2.81 0.00 0.00 60.65 57.27 1iyr h LYS 61 Cb 0.58 0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.94 1iyr h LYS 61 CO 0.04 1.14 -0.51 0.00 -2.81 0.00 0.00 179.45 177.31 1iyr h THR 62 N 0.17 1.35 -0.08 1.00 1.03 -0.32 -2.56 112.91 113.51 1iyr h THR 62 Ca -0.10 -1.77 -0.17 0.00 -0.01 0.00 0.00 66.41 64.36 1iyr h THR 62 Cb 1.70 1.84 -0.01 0.00 -1.07 0.00 0.00 68.15 70.61 1iyr h THR 62 CO 0.18 0.53 -0.69 1.05 -0.01 0.00 0.00 175.52 176.58 1iyr h GLU 63 N 0.22 0.35 -0.25 0.00 4.11 -1.46 -2.58 114.58 114.98 1iyr h GLU 63 Ca 0.01 -0.28 -0.11 0.00 0.07 0.00 0.00 59.36 59.06 1iyr h GLU 63 Cb 0.98 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1iyr h GLU 63 CO 0.08 0.91 -0.29 1.15 0.07 0.00 0.00 179.01 180.93 1iyr h THR 64 N 0.25 1.28 -0.03 -1.06 2.02 -1.27 0.71 112.91 114.81 1iyr h THR 64 Ca -0.02 -1.36 -0.25 0.00 0.77 0.00 0.00 66.41 65.55 1iyr h THR 64 Cb 1.24 1.41 0.01 0.00 -1.74 0.00 0.00 68.15 69.08 1iyr h THR 64 CO 0.11 0.43 -0.96 1.62 0.37 0.00 0.00 175.52 177.10 1iyr h VAL 65 N 0.44 1.30 0.13 3.16 3.04 -1.44 -1.34 116.25 121.55 1iyr h VAL 65 Ca 0.06 -2.22 -0.28 0.00 -1.01 0.00 0.00 66.70 63.24 1iyr h VAL 65 Cb 0.74 2.29 0.02 0.00 -2.01 0.00 0.00 31.29 32.33 1iyr h VAL 65 CO 0.06 0.69 -1.24 0.06 -1.01 0.00 0.00 177.57 176.13 1iyr h GLN 66 N 0.39 0.41 -0.16 4.17 -0.00 -1.38 -2.34 115.11 116.22 1iyr h GLN 66 Ca -0.10 -0.62 -0.21 0.00 -0.00 0.00 0.00 58.65 57.72 1iyr h GLN 66 Cb 1.60 0.22 0.01 0.00 -0.00 0.00 0.00 27.48 29.31 1iyr h GLN 66 CO 0.19 1.27 -0.73 1.49 -0.00 0.00 0.00 178.83 181.05 1iyr h GLU 67 N 0.15 0.72 0.11 0.06 4.81 0.37 -1.69 114.58 119.11 1iyr h GLU 67 Ca -0.16 -0.56 -0.01 0.00 -0.13 0.00 0.00 59.36 58.51 1iyr h GLU 67 Cb 1.93 0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.42 1iyr h GLU 67 CO 0.22 1.18 -0.05 0.00 -0.73 0.00 0.00 179.01 179.62 1iyr h ALA 68 N 0.67 -0.14 -0.57 2.92 0.00 -1.35 -2.65 119.26 118.13 1iyr h ALA 68 Ca -0.04 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 54.76 1iyr h ALA 68 Cb 1.34 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1iyr h ALA 68 CO 0.15 -0.28 0.40 0.00 0.00 0.00 0.00 179.25 179.52 1iyr h GLU 70 N 0.14 -0.38 -0.28 0.00 4.22 -1.22 -1.95 114.58 115.10 1iyr h GLU 70 Ca 0.27 0.03 0.08 0.00 0.08 0.00 0.00 59.36 59.82 1iyr h GLU 70 Cb 0.89 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1iyr h GLU 70 CO -0.04 -0.10 0.39 0.00 -2.18 0.00 0.00 179.01 177.08 1iyr h ARG 71 N -0.63 0.00 0.05 1.92 3.08 -0.83 0.46 114.38 118.42 1iyr h ARG 71 Ca -0.04 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.77 1iyr h ARG 71 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1iyr h ARG 71 CO 0.07 0.00 -1.05 0.93 -1.07 0.00 0.00 179.97 178.84 1iyr h GLU 72 N 0.00 0.36 -0.72 0.04 5.08 -0.74 -2.33 114.58 116.27 1iyr h GLU 72 Ca 0.13 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1iyr h GLU 72 Cb 0.91 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1iyr h GLU 72 CO -0.00 1.15 0.35 1.25 -1.00 0.00 0.00 179.01 180.76 1iyr h LEU 73 N 0.17 0.92 -0.06 1.33 7.12 0.64 0.24 115.31 125.67 1iyr h LEU 73 Ca -0.10 -0.10 -0.22 0.00 0.13 0.00 0.00 57.88 57.59 1iyr h LEU 73 Cb 1.72 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 41.59 1iyr h LEU 73 CO 0.18 0.78 -1.01 0.00 -0.13 0.00 0.00 178.44 178.25 1iyr h ALA 74 N 1.37 0.36 -0.09 1.25 0.00 -1.51 -3.13 119.26 117.50 1iyr h ALA 74 Ca 0.25 -0.85 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 1iyr h ALA 74 Cb 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1iyr h ALA 74 CO -0.03 1.10 -0.40 1.25 0.00 0.00 0.00 179.25 181.17 1iyr h LEU 75 N 0.03 0.51 -2.12 0.00 5.85 -0.99 -2.78 115.31 115.82 1iyr h LEU 75 Ca -0.04 -0.63 -0.01 0.00 0.84 0.00 0.00 57.88 58.03 1iyr h LEU 75 Cb 1.73 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.61 1iyr h LEU 75 CO 0.14 1.06 -0.05 0.03 -0.34 0.00 0.00 178.44 179.29 1iyr h ARG 76 N -0.01 0.00 0.05 1.25 3.08 -0.63 0.18 114.38 118.30 1iyr h ARG 76 Ca -0.02 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.79 1iyr h ARG 76 Cb 1.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 1iyr h ARG 76 CO 0.08 0.05 -1.04 1.37 -1.07 0.00 0.00 179.97 179.36 1iyr h LEU 77 N 0.00 0.41 -0.08 3.04 8.10 -1.50 -3.27 115.31 122.01 1iyr h LEU 77 Ca -0.00 -0.37 -0.20 0.00 0.11 0.00 0.00 57.88 57.42 1iyr h LEU 77 Cb 0.10 -0.13 -0.03 0.00 -0.44 0.00 0.00 40.66 40.16 1iyr h LEU 77 CO 0.01 1.21 -0.96 -0.61 -4.11 0.00 0.00 178.44 173.98 1iyr h GLN 78 N 0.14 0.00 0.00 0.17 5.75 -1.00 -3.21 115.11 116.96 1iyr h GLN 78 Ca -0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 1iyr h GLN 78 Cb 1.71 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.26 1iyr h GLN 78 CO 0.17 0.96 0.00 1.96 -2.65 0.00 0.00 178.83 179.27 1iyr h GLN 79 N 0.00 0.00 -1.03 1.69 4.20 -0.74 -2.63 115.11 116.60 1iyr h GLN 79 Ca -0.01 0.00 0.26 0.00 0.06 0.00 0.00 58.65 58.96 1iyr h GLN 79 Cb 1.70 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 29.39 1iyr h GLN 79 CO 0.12 0.00 0.67 1.79 -0.67 0.00 0.00 178.83 180.74 1iyr h THR 80 N 0.00 0.53 -4.25 -0.54 1.35 -1.66 -3.42 112.91 104.93 1iyr h THR 80 Ca 0.00 -0.13 -0.53 0.00 -0.55 0.00 0.00 66.41 65.20 1iyr h THR 80 Cb 0.02 0.11 0.19 0.00 -1.73 0.00 0.00 68.15 66.74 1iyr h THR 80 CO 0.00 0.07 0.27 -1.58 -0.25 0.00 0.00 175.52 174.03 1iyr s GLN 81 N -5.47 1.28 -0.31 4.72 -0.44 -0.99 -4.99 119.66 113.45 1iyr s GLN 81 Ca -0.09 1.62 -0.08 0.00 -2.50 0.00 0.00 55.36 54.31 1iyr s GLN 81 Cb 0.25 -1.75 0.00 0.00 -1.64 0.00 0.00 33.01 29.87 1iyr s GLN 81 CO 0.80 -2.45 0.12 0.45 0.50 0.00 0.00 175.29 174.71 1iyr s SER 82 N -2.50 5.36 0.44 6.67 0.15 -1.26 -5.09 113.70 117.46 1iyr s SER 82 Ca 0.69 -0.66 0.04 0.00 0.70 0.00 0.00 55.95 56.72 1iyr s SER 82 Cb -0.25 -1.94 0.01 0.00 -1.71 0.00 0.00 66.02 62.13 1iyr s SER 82 CO 0.55 -0.21 0.62 -0.76 1.20 0.00 0.00 173.24 174.64 1iyr s LEU 83 N 1.55 3.62 0.00 3.45 1.43 -1.26 -5.01 118.68 122.47 1iyr s LEU 83 Ca 0.03 -0.12 0.23 0.00 -1.03 0.00 0.00 54.13 53.24 1iyr s LEU 83 Cb -0.17 -2.83 0.85 0.00 0.03 0.00 0.00 46.19 44.07 1iyr s LEU 83 CO 0.04 -0.78 1.61 0.00 0.23 0.00 0.00 176.35 177.46 1iyr n HIS 84 N -1.98 0.15 -3.91 0.29 1.44 -1.26 -4.74 115.22 105.20 1iyr n HIS 84 Ca 0.05 -0.07 -0.35 0.00 -2.01 0.00 0.00 57.72 55.34 1iyr n HIS 84 Cb 0.59 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.56 1iyr n HIS 84 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1iyr s SER 85 N -1.69 4.88 -0.86 4.39 0.15 -1.26 -5.04 113.70 114.28 1iyr s SER 85 Ca 0.34 -1.29 -0.25 0.00 0.70 0.00 0.00 55.95 55.44 1iyr s SER 85 Cb 0.18 -1.71 -0.11 0.00 -1.71 0.00 0.00 66.02 62.67 1iyr s SER 85 CO 0.28 -0.26 2.23 -0.76 1.20 0.00 0.00 173.24 175.93 1iyr s LEU 86 N 1.24 2.92 0.00 3.45 1.43 -1.26 -5.20 118.68 121.27 1iyr s LEU 86 Ca -0.05 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1iyr s LEU 86 Cb -0.20 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1iyr s LEU 86 CO -0.01 -3.58 0.00 0.54 0.23 0.00 0.00 176.35 173.53