#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 1.03 3.47 3.41 0.00 -1.26 -5.06 105.19 106.78 1iyr n GLY 6 Ca 0.00 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 4.45 0.57 -0.61 -1.16 -1.26 -4.95 121.20 116.24 1iyr s ILE 7 Ca 0.00 -0.12 -0.19 0.00 -0.51 0.00 0.00 60.65 59.83 1iyr s ILE 7 Cb 0.00 -3.08 -0.07 0.00 0.61 0.00 0.00 42.46 39.92 1iyr s ILE 7 CO 0.00 0.33 0.79 -1.20 -2.81 0.00 0.00 174.94 172.06 1iyr n SER 8 N 4.89 0.10 -3.74 4.50 7.64 -1.26 -4.94 113.62 120.81 1iyr n SER 8 Ca -0.16 0.80 -0.18 0.00 1.01 0.00 0.00 58.87 60.34 1iyr n SER 8 Cb 0.52 -1.30 0.11 0.00 -1.01 0.00 0.00 64.21 62.53 1iyr n SER 8 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1iyr n ARG 9 N -0.51 -1.55 -1.02 1.43 5.12 -1.26 -4.57 116.66 114.30 1iyr n ARG 9 Ca 0.12 -0.46 -0.40 0.00 -1.93 0.00 0.00 57.85 55.19 1iyr n ARG 9 Cb 0.46 -1.36 -0.06 0.00 -1.16 0.00 0.00 32.46 30.35 1iyr n ARG 9 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1iyr n GLU 10 N -0.65 0.00 -4.61 5.56 0.28 -1.26 -4.92 120.64 115.04 1iyr n GLU 10 Ca 0.03 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.76 1iyr n GLU 10 Cb 0.35 -0.89 -0.10 0.00 1.43 0.00 0.00 31.44 32.23 1iyr n GLU 10 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1iyr s THR 11 N 1.91 1.68 0.71 3.84 -4.23 -1.26 -5.14 115.64 113.14 1iyr s THR 11 Ca 0.63 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.06 1iyr s THR 11 Cb -0.89 -2.81 0.01 0.00 1.34 0.00 0.00 72.50 70.15 1iyr s THR 11 CO 0.48 0.00 -0.16 -1.54 -0.54 0.00 0.00 174.62 172.86 1iyr n SER 12 N -0.98 -2.40 -4.16 3.99 3.41 -1.26 -4.87 113.62 107.35 1iyr n SER 12 Ca -0.07 -0.10 -0.35 0.00 -0.26 0.00 0.00 58.87 58.09 1iyr n SER 12 Cb 0.67 -0.57 0.10 0.00 -0.26 0.00 0.00 64.21 64.15 1iyr n SER 12 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1iyr n SER 13 N 1.97 -2.87 -4.52 4.04 2.88 -1.26 -4.56 113.62 109.30 1iyr n SER 13 Ca 0.01 -0.02 -0.37 0.00 -1.33 0.00 0.00 58.87 57.15 1iyr n SER 13 Cb 0.21 -0.78 -0.10 0.00 -0.75 0.00 0.00 64.21 62.80 1iyr n SER 13 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1iyr n ASP 14 N 0.77 1.19 -3.64 -3.46 8.00 -1.26 -4.87 116.55 113.29 1iyr n ASP 14 Ca -0.00 -0.21 -0.26 0.00 0.71 0.00 0.00 54.79 55.03 1iyr n ASP 14 Cb 0.67 -1.23 -0.17 0.00 -0.02 0.00 0.00 41.12 40.37 1iyr n ASP 14 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1iyr s VAL 15 N 10.38 0.05 -0.87 2.53 -7.23 -1.26 -5.08 120.40 118.91 1iyr s VAL 15 Ca 1.18 -0.25 -0.21 0.00 -1.81 0.00 0.00 61.98 60.88 1iyr s VAL 15 Cb -0.72 -0.67 0.09 0.00 0.56 0.00 0.00 36.38 35.63 1iyr s VAL 15 CO 0.38 -0.27 1.18 0.00 -0.31 0.00 0.00 175.10 176.08 1iyr s ALA 16 N 2.08 3.10 -0.32 1.32 0.00 -1.26 -4.82 121.76 121.85 1iyr s ALA 16 Ca 0.01 -2.31 0.01 0.00 0.00 0.00 0.00 51.96 49.67 1iyr s ALA 16 Cb -0.16 -4.14 0.19 0.00 0.00 0.00 0.00 23.12 19.01 1iyr s ALA 16 CO -0.09 -3.11 0.75 -0.51 0.00 0.00 0.00 175.76 172.80 1iyr s LEU 17 N 3.81 -1.21 0.34 0.00 1.43 -1.26 -5.15 118.68 116.64 1iyr s LEU 17 Ca 0.33 -0.07 -0.25 0.00 -1.03 0.00 0.00 54.13 53.11 1iyr s LEU 17 Cb -0.07 1.69 -0.13 0.00 0.03 0.00 0.00 46.19 47.71 1iyr s LEU 17 CO -0.03 -0.20 0.76 0.00 0.23 0.00 0.00 176.35 177.12 1iyr n ALA 18 N 4.99 -1.04 -0.10 4.21 0.00 -1.26 -4.63 120.51 122.67 1iyr n ALA 18 Ca 0.07 0.29 0.20 0.00 0.00 0.00 0.00 53.44 54.00 1iyr n ALA 18 Cb 0.56 -1.87 0.62 0.00 0.00 0.00 0.00 19.45 18.76 1iyr n ALA 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1iyr h SER 19 N 1.34 0.15 -0.72 0.00 4.64 -1.97 0.09 113.55 117.09 1iyr h SER 19 Ca -0.39 0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.02 1iyr h SER 19 Cb 1.38 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.40 1iyr h SER 19 CO 0.56 0.08 0.48 0.45 -0.87 0.00 0.00 176.83 177.52 1iyr h HIS 20 N 0.16 0.73 0.18 4.77 3.86 -1.97 1.33 115.15 124.21 1iyr h HIS 20 Ca 0.33 0.02 -0.31 0.00 -1.16 0.00 0.00 60.37 59.25 1iyr h HIS 20 Cb 1.08 -0.24 0.01 0.00 1.06 0.00 0.00 27.41 29.32 1iyr h HIS 20 CO -0.00 0.38 -1.49 0.82 0.86 0.00 0.00 177.93 178.50 1iyr h ILE 21 N 0.72 1.10 -0.05 2.45 2.04 -1.33 -3.27 117.51 119.16 1iyr h ILE 21 Ca 0.32 -2.52 -0.17 0.00 1.00 0.00 0.00 64.86 63.49 1iyr h ILE 21 Cb 0.32 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.25 1iyr h ILE 21 CO -0.11 0.79 -0.70 0.17 0.00 0.00 0.00 178.15 178.30 1iyr h LEU 22 N -0.06 0.31 0.00 1.44 8.10 -1.00 -1.10 115.31 123.01 1iyr h LEU 22 Ca -0.29 -0.20 -0.00 0.00 0.11 0.00 0.00 57.88 57.50 1iyr h LEU 22 Cb 1.96 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 42.09 1iyr h LEU 22 CO 0.16 0.91 -0.00 0.74 -4.11 0.00 0.00 178.44 176.14 1iyr h THR 23 N 0.18 1.19 -0.15 0.15 2.02 0.16 0.51 112.91 116.97 1iyr h THR 23 Ca -0.02 -0.57 -0.12 0.00 0.77 0.00 0.00 66.41 66.46 1iyr h THR 23 Cb 1.25 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.23 1iyr h THR 23 CO 0.11 0.15 -0.45 0.00 0.37 0.00 0.00 175.52 175.70 1iyr h ALA 24 N 0.75 0.96 -0.38 6.16 0.00 -1.62 -2.56 119.26 122.57 1iyr h ALA 24 Ca -0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1iyr h ALA 24 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1iyr h ALA 24 CO 0.00 0.64 0.03 -0.07 0.00 0.00 0.00 179.25 179.84 1iyr h LEU 25 N 0.29 0.63 -2.35 0.00 3.38 -1.01 3.27 115.31 119.52 1iyr h LEU 25 Ca 0.02 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1iyr h LEU 25 Cb 0.91 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1iyr h LEU 25 CO 0.08 0.76 0.17 -0.09 0.09 0.00 0.00 178.44 179.45 1iyr h ARG 26 N 0.48 0.00 0.00 1.13 2.43 0.28 -3.40 114.38 115.29 1iyr h ARG 26 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1iyr h ARG 26 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1iyr h ARG 26 CO 0.01 0.00 0.00 -0.85 -1.51 0.00 0.00 179.97 177.62 1iyr n GLU 27 N -3.54 0.00 -2.81 0.20 0.28 -0.50 -4.77 120.64 109.50 1iyr n GLU 27 Ca -0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.84 1iyr n GLU 27 Cb 0.27 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.14 1iyr n GLU 27 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1iyr n LYS 28 N -1.75 1.61 -2.99 3.44 3.00 0.89 -5.03 118.16 117.32 1iyr n LYS 28 Ca 0.00 -3.61 -0.40 0.00 -0.00 0.00 0.00 58.31 54.30 1iyr n LYS 28 Cb 0.00 -1.61 -0.05 0.00 0.00 0.00 0.00 35.03 33.38 1iyr n LYS 28 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1iyr s GLN 29 N -3.02 4.47 -0.97 1.64 -0.44 0.89 -4.84 119.66 117.38 1iyr s GLN 29 Ca 0.36 1.00 -0.14 0.00 -2.50 0.00 0.00 55.36 54.07 1iyr s GLN 29 Cb 0.41 -3.41 0.20 0.00 -1.64 0.00 0.00 33.01 28.56 1iyr s GLN 29 CO -0.04 0.15 1.04 0.00 0.50 0.00 0.00 175.29 176.95 1iyr s ALA 30 N 0.43 3.99 -0.12 1.58 0.00 -1.26 -4.80 121.76 121.59 1iyr s ALA 30 Ca 0.39 -3.27 0.01 0.00 0.00 0.00 0.00 51.96 49.08 1iyr s ALA 30 Cb -0.19 -3.78 0.15 0.00 0.00 0.00 0.00 23.12 19.30 1iyr s ALA 30 CO 0.21 -2.55 1.44 -0.35 0.00 0.00 0.00 175.76 174.52 1iyr n PRO 31 N 4.73 1.33 0.00 0.00 -0.05 -1.26 -1.57 135.00 138.18 1iyr n PRO 31 Ca 0.22 -0.74 0.00 0.00 -0.05 0.00 0.00 63.50 62.93 1iyr n PRO 31 Cb 0.45 -1.29 0.00 0.00 -0.05 0.00 0.00 33.50 32.61 1iyr n PRO 31 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 1iyr n GLU 32 N 0.33 0.00 0.00 0.54 1.02 -1.26 -4.25 120.64 117.02 1iyr n GLU 32 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1iyr n GLU 32 Cb 0.71 -0.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 1iyr n GLU 32 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1iyr n LEU 33 N -2.30 0.00 0.14 -4.62 7.94 -1.25 -3.48 117.00 113.42 1iyr n LEU 33 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 1iyr n LEU 33 Cb 0.00 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.17 1iyr n LEU 33 CO 0.00 0.00 0.58 -1.28 -1.11 0.00 0.00 177.39 175.58 1iyr h SER 34 N 0.00 0.07 -4.31 1.96 0.87 -1.81 -3.44 113.55 106.88 1iyr h SER 34 Ca 0.00 -0.03 -0.47 0.00 -1.23 0.00 0.00 61.79 60.06 1iyr h SER 34 Cb 0.05 -0.02 0.09 0.00 -0.44 0.00 0.00 62.40 62.08 1iyr h SER 34 CO 0.00 0.57 0.35 -0.76 -0.53 0.00 0.00 176.83 176.46 1iyr s LEU 35 N -7.90 2.67 0.00 2.23 1.02 -0.61 -5.01 118.68 111.08 1iyr s LEU 35 Ca -0.02 0.73 0.00 0.00 0.02 0.00 0.00 54.13 54.85 1iyr s LEU 35 Cb 0.13 -3.31 0.00 0.00 0.02 0.00 0.00 46.19 43.03 1iyr s LEU 35 CO 0.76 -1.71 0.00 -0.24 0.02 0.00 0.00 176.35 175.17 1iyr n SER 36 N -3.14 0.92 0.35 2.29 2.88 -1.26 -4.78 113.62 110.89 1iyr n SER 36 Ca 0.08 -0.06 -0.18 0.00 -1.33 0.00 0.00 58.87 57.38 1iyr n SER 36 Cb 0.60 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.97 1iyr n SER 36 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1iyr h SER 37 N 0.00 -0.73 0.73 -3.46 4.64 -1.98 -0.41 113.55 112.35 1iyr h SER 37 Ca 0.00 0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.15 1iyr h SER 37 Cb 0.00 0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1iyr h SER 37 CO 0.00 -0.52 -0.90 1.56 -0.87 0.00 0.00 176.83 176.10 1iyr h GLN 38 N -0.85 0.10 0.10 4.77 1.08 -1.97 -2.03 115.11 116.30 1iyr h GLN 38 Ca -0.09 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1iyr h GLN 38 Cb 0.66 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1iyr h GLN 38 CO 0.14 0.93 -0.05 0.22 -0.95 0.00 0.00 178.83 179.12 1iyr h ASP 39 N 0.05 -0.11 0.44 1.46 1.82 -1.93 0.38 116.42 118.53 1iyr h ASP 39 Ca -0.03 -0.27 -0.09 0.00 -0.39 0.00 0.00 57.03 56.25 1iyr h ASP 39 Cb 1.56 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 41.59 1iyr h ASP 39 CO 0.13 0.22 -0.41 -0.07 -1.61 0.00 0.00 179.24 177.50 1iyr h LEU 40 N -0.45 0.00 0.18 2.28 3.38 -1.16 -2.22 115.31 117.31 1iyr h LEU 40 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1iyr h LEU 40 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1iyr h LEU 40 CO 0.02 0.41 -0.09 -0.08 0.09 0.00 0.00 178.44 178.80 1iyr h GLU 41 N 0.00 -0.23 -0.89 1.13 4.81 -1.22 -1.18 114.58 116.99 1iyr h GLU 41 Ca -0.00 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.37 1iyr h GLU 41 Cb 0.74 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.11 1iyr h GLU 41 CO 0.05 0.11 0.57 1.25 -0.73 0.00 0.00 179.01 180.26 1iyr h LEU 42 N -0.96 0.70 -0.71 1.64 5.85 -0.28 0.39 115.31 121.94 1iyr h LEU 42 Ca -0.02 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.60 1iyr h LEU 42 Cb 0.45 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1iyr h LEU 42 CO 0.04 0.37 -0.48 0.58 -0.34 0.00 0.00 178.44 178.61 1iyr h VAL 43 N 0.75 1.33 0.00 1.05 2.07 -1.47 -2.21 116.25 117.76 1iyr h VAL 43 Ca 0.44 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1iyr h VAL 43 Cb 0.63 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1iyr h VAL 43 CO -0.20 0.52 -0.03 0.74 0.02 0.00 0.00 177.57 178.62 1iyr h THR 44 N 0.32 0.33 -0.01 2.57 2.02 0.10 0.48 112.91 118.72 1iyr h THR 44 Ca 0.02 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1iyr h THR 44 Cb 0.97 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1iyr h THR 44 CO 0.08 0.03 -0.29 1.17 0.37 0.00 0.00 175.52 176.88 1iyr n LYS 45 N -3.50 1.18 -3.29 6.66 4.81 -0.66 -4.34 118.16 119.01 1iyr n LYS 45 Ca -0.02 -0.83 -0.35 0.00 -0.87 0.00 0.00 58.31 56.23 1iyr n LYS 45 Cb 0.13 -1.48 -0.04 0.00 0.02 0.00 0.00 35.03 33.66 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 -0.18 3.33 -0.52 1.64 1.02 0.17 -5.06 120.64 121.03 1iyr n GLU 46 Ca 0.12 -4.60 -0.29 0.00 -0.02 0.00 0.00 57.16 52.38 1iyr n GLU 46 Cb 0.41 -2.39 0.26 0.00 -0.02 0.00 0.00 31.44 29.71 1iyr n GLU 46 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1iyr s ASP 47 N -1.80 0.47 0.00 1.62 1.01 -1.25 -4.16 116.67 112.56 1iyr s ASP 47 Ca 0.34 1.33 0.00 0.00 0.71 0.00 0.00 52.55 54.94 1iyr s ASP 47 Cb 0.07 -2.05 0.00 0.00 1.01 0.00 0.00 42.92 41.95 1iyr s ASP 47 CO 0.02 -4.49 0.21 -2.65 0.21 0.00 0.00 175.17 168.46 1iyr n PRO 48 N -5.09 0.00 -0.06 8.23 -0.02 -1.26 -2.11 135.00 134.69 1iyr n PRO 48 Ca 0.04 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.44 1iyr n PRO 48 Cb 0.56 -1.47 -0.07 0.00 -0.02 0.00 0.00 33.50 32.50 1iyr n PRO 48 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1iyr h LYS 49 N 0.00 0.00 0.00 -0.52 1.79 -1.98 -3.17 116.57 112.69 1iyr h LYS 49 Ca 0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 1iyr h LYS 49 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 1iyr h LYS 49 CO 0.00 0.53 -0.79 0.00 -1.08 0.00 0.00 179.45 178.10 1iyr h ALA 50 N -0.51 0.16 -1.00 3.86 0.00 -1.73 -3.30 119.26 116.74 1iyr h ALA 50 Ca -0.03 -0.94 0.21 0.00 0.00 0.00 0.00 54.91 54.16 1iyr h ALA 50 Cb 0.58 0.47 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 1iyr h ALA 50 CO -0.02 0.45 0.61 -0.07 0.00 0.00 0.00 179.25 180.22 1iyr h LEU 51 N -1.00 0.71 0.03 0.00 3.38 -1.63 0.05 115.31 116.85 1iyr h LEU 51 Ca -0.22 0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1iyr h LEU 51 Cb 1.16 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1iyr h LEU 51 CO -0.13 0.20 -0.18 0.00 0.09 0.00 0.00 178.44 178.42 1iyr h ALA 52 N 1.67 -0.25 -1.00 1.53 0.00 -1.68 -1.06 119.26 118.47 1iyr h ALA 52 Ca 0.60 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.73 1iyr h ALA 52 Cb 1.06 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 1iyr h ALA 52 CO -0.40 -0.69 0.63 0.28 0.00 0.00 0.00 179.25 179.08 1iyr h VAL 53 N -0.32 0.61 0.00 0.00 2.07 -1.07 2.37 116.25 119.92 1iyr h VAL 53 Ca 0.05 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 1iyr h VAL 53 Cb 0.37 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1iyr h VAL 53 CO -0.15 0.09 -0.48 0.00 0.02 0.00 0.00 177.57 177.06 1iyr h ALA 54 N 1.63 1.01 -0.93 1.67 0.00 -0.99 -3.00 119.26 118.65 1iyr h ALA 54 Ca 0.57 -0.43 -0.56 0.00 0.00 0.00 0.00 54.91 54.49 1iyr h ALA 54 Cb 1.24 -0.08 -0.43 0.00 0.00 0.00 0.00 17.79 18.53 1iyr h ALA 54 CO -0.30 0.59 -0.80 1.47 0.00 0.00 0.00 179.25 180.21 1iyr n LEU 55 N -3.67 4.84 -3.64 0.00 -0.00 0.33 -3.61 117.00 111.25 1iyr n LEU 55 Ca -0.01 -4.84 -0.18 0.00 -0.00 0.00 0.00 56.01 50.99 1iyr n LEU 55 Cb 0.55 -0.36 -0.19 0.00 -0.00 0.00 0.00 43.42 43.42 1iyr n LEU 55 CO 0.39 2.13 1.69 0.59 -0.00 0.00 0.00 177.39 182.19 1iyr n ASN 56 N -0.65 -1.20 -1.27 1.45 5.03 0.72 -4.75 115.26 114.59 1iyr n ASN 56 Ca 0.42 -0.45 0.00 0.00 0.87 0.00 0.00 54.58 55.42 1iyr n ASN 56 Cb 0.90 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 39.23 1iyr n ASN 56 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 1iyr n TRP 57 N 4.45 0.00 -2.47 3.10 8.01 -1.26 -5.05 117.44 124.22 1iyr n TRP 57 Ca 0.55 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 56.35 1iyr n TRP 57 Cb 0.12 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.38 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 -0.81 7.03 0.23 -0.99 1.01 -1.26 -4.77 116.67 117.11 1iyr s ASP 58 Ca 0.00 2.21 -0.07 0.00 0.71 0.00 0.00 52.55 55.40 1iyr s ASP 58 Cb 0.00 -2.61 0.28 0.00 1.01 0.00 0.00 42.92 41.60 1iyr s ASP 58 CO 0.00 -0.30 1.85 -0.29 0.21 0.00 0.00 175.17 176.63 1iyr h ILE 59 N 2.75 1.05 -0.03 0.77 6.09 -1.97 1.44 117.51 127.60 1iyr h ILE 59 Ca -0.47 -0.31 -0.03 0.00 -1.37 0.00 0.00 64.86 62.68 1iyr h ILE 59 Cb 1.22 0.06 -0.01 0.00 0.47 0.00 0.00 36.82 38.56 1iyr h ILE 59 CO 0.65 0.17 -0.10 0.07 -3.07 0.00 0.00 178.15 175.86 1iyr h LYS 60 N 0.91 0.05 0.07 2.19 2.10 -1.98 0.47 116.57 120.37 1iyr h LYS 60 Ca 0.34 -0.01 -0.12 0.00 -2.00 0.00 0.00 60.65 58.86 1iyr h LYS 60 Cb 0.12 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.46 1iyr h LYS 60 CO -0.15 0.15 -0.52 -0.22 -2.00 0.00 0.00 179.45 176.71 1iyr h LYS 61 N 0.04 0.23 -0.06 0.07 3.64 -0.55 -2.29 116.57 117.66 1iyr h LYS 61 Ca 0.01 -0.34 -0.14 0.00 -1.27 0.00 0.00 60.65 58.91 1iyr h LYS 61 Cb 0.22 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1iyr h LYS 61 CO 0.01 1.12 -0.61 0.00 -2.27 0.00 0.00 179.45 177.71 1iyr h THR 62 N -0.49 1.39 -0.16 1.00 1.03 0.20 -2.82 112.91 113.07 1iyr h THR 62 Ca -0.08 -2.00 -0.17 0.00 -0.01 0.00 0.00 66.41 64.15 1iyr h THR 62 Cb 1.36 2.02 -0.00 0.00 -1.07 0.00 0.00 68.15 70.46 1iyr h THR 62 CO 0.10 0.59 -0.60 1.05 -0.01 0.00 0.00 175.52 176.65 1iyr h GLU 63 N 0.15 0.54 -0.49 0.00 4.11 -0.18 -2.25 114.58 116.45 1iyr h GLU 63 Ca -0.01 -0.37 -0.00 0.00 0.07 0.00 0.00 59.36 59.06 1iyr h GLU 63 Cb 1.10 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1iyr h GLU 63 CO 0.09 0.98 0.30 1.15 0.07 0.00 0.00 179.01 181.60 1iyr h THR 64 N 0.40 1.15 -0.42 -1.06 2.02 -1.26 0.91 112.91 114.65 1iyr h THR 64 Ca -0.00 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 1iyr h THR 64 Cb 1.15 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1iyr h THR 64 CO 0.11 0.15 0.06 0.58 0.37 0.00 0.00 175.52 176.80 1iyr h VAL 65 N 0.65 1.21 -0.33 3.16 2.07 -1.46 -1.56 116.25 119.99 1iyr h VAL 65 Ca 0.18 -0.77 -0.13 0.00 0.82 0.00 0.00 66.70 66.79 1iyr h VAL 65 Cb -0.01 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1iyr h VAL 65 CO -0.03 0.28 -0.31 -0.61 0.02 0.00 0.00 177.57 176.91 1iyr h GLN 66 N 0.63 0.71 -0.18 1.57 5.75 -0.60 -2.54 115.11 120.45 1iyr h GLN 66 Ca 0.14 -0.32 -0.01 0.00 -0.15 0.00 0.00 58.65 58.31 1iyr h GLN 66 Cb 0.30 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 1iyr h GLN 66 CO 0.00 0.92 0.06 0.93 -2.65 0.00 0.00 178.83 178.10 1iyr h GLU 67 N 0.60 0.25 -0.22 1.69 5.08 0.18 -1.49 114.58 120.66 1iyr h GLU 67 Ca 0.07 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1iyr h GLU 67 Cb 0.82 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1iyr h GLU 67 CO 0.07 0.22 -0.38 0.00 -1.00 0.00 0.00 179.01 177.92 1iyr h ALA 68 N 1.82 0.35 -0.63 3.43 0.00 -1.04 -2.53 119.26 120.65 1iyr h ALA 68 Ca 0.06 -0.44 0.12 0.00 0.00 0.00 0.00 54.91 54.65 1iyr h ALA 68 Cb 0.08 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 1iyr h ALA 68 CO -0.01 0.43 0.13 0.00 0.00 0.00 0.00 179.25 179.80 1iyr h GLU 70 N 0.25 -0.27 -0.66 0.00 5.08 -1.50 -1.44 114.58 116.05 1iyr h GLU 70 Ca 0.34 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.89 1iyr h GLU 70 Cb 0.52 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1iyr h GLU 70 CO -0.44 0.12 0.46 -0.09 -1.00 0.00 0.00 179.01 178.07 1iyr h ARG 71 N -0.83 0.07 0.02 2.33 9.65 -1.17 0.60 114.38 125.04 1iyr h ARG 71 Ca -0.03 -0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 58.61 1iyr h ARG 71 Cb 0.51 -0.02 0.02 0.00 -1.39 0.00 0.00 29.97 29.10 1iyr h ARG 71 CO 0.05 0.05 -0.96 0.93 2.80 0.00 0.00 179.97 182.83 1iyr h GLU 72 N 0.07 0.61 -0.64 0.20 4.39 -0.10 -2.46 114.58 116.65 1iyr h GLU 72 Ca 0.31 -0.69 0.13 0.00 0.34 0.00 0.00 59.36 59.46 1iyr h GLU 72 Cb 1.15 0.20 -0.10 0.00 -0.10 0.00 0.00 28.75 29.90 1iyr h GLU 72 CO -0.03 1.28 0.07 1.25 -1.16 0.00 0.00 179.01 180.42 1iyr h LEU 73 N 0.23 -0.15 -0.45 1.33 7.12 0.25 0.69 115.31 124.34 1iyr h LEU 73 Ca -0.13 0.14 -0.18 0.00 0.13 0.00 0.00 57.88 57.85 1iyr h LEU 73 Cb 1.64 0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 41.99 1iyr h LEU 73 CO 0.19 -0.07 -0.72 0.00 -0.13 0.00 0.00 178.44 177.70 1iyr h ALA 74 N 1.56 0.65 0.00 1.25 0.00 -1.54 -2.98 119.26 118.19 1iyr h ALA 74 Ca 0.34 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1iyr h ALA 74 Cb 0.56 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1iyr h ALA 74 CO -0.50 0.78 -0.02 1.25 0.00 0.00 0.00 179.25 180.75 1iyr h LEU 75 N 0.23 0.00 -0.57 0.00 6.46 -0.47 -0.78 115.31 120.18 1iyr h LEU 75 Ca -0.03 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.59 1iyr h LEU 75 Cb 1.29 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.20 1iyr h LEU 75 CO 0.12 0.02 -0.67 -0.09 -0.62 0.00 0.00 178.44 177.20 1iyr h ARG 76 N 0.00 0.00 -0.67 1.25 1.12 -0.81 -3.16 114.38 112.11 1iyr h ARG 76 Ca -0.00 0.00 0.20 0.00 -1.11 0.00 0.00 59.98 59.07 1iyr h ARG 76 Cb 0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 29.98 1iyr h ARG 76 CO 0.00 0.67 0.63 1.25 -3.11 0.00 0.00 179.97 179.41 1iyr h LEU 77 N 0.00 0.00 -2.00 3.80 6.46 -1.12 0.12 115.31 122.57 1iyr h LEU 77 Ca -0.01 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 57.86 1iyr h LEU 77 Cb 1.24 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.16 1iyr h LEU 77 CO 0.09 0.00 0.41 1.56 -0.62 0.00 0.00 178.44 179.88 1iyr h GLN 78 N 0.00 0.00 0.00 1.25 4.20 -1.66 0.23 115.11 119.13 1iyr h GLN 78 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1iyr h GLN 78 Cb 1.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.35 1iyr h GLN 78 CO -0.00 0.00 0.00 1.96 -0.67 0.00 0.00 178.83 180.12 1iyr h GLN 79 N 0.00 0.00 -0.00 1.46 7.50 -1.02 -0.81 115.11 122.24 1iyr h GLN 79 Ca 0.17 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.32 1iyr h GLN 79 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.52 1iyr h GLN 79 CO -0.00 0.00 0.00 2.41 -1.50 0.00 0.00 178.83 179.74 1iyr n THR 80 N -2.78 0.00 -1.56 -0.54 -1.04 0.81 -4.87 114.28 104.30 1iyr n THR 80 Ca -0.02 -0.01 -0.51 0.00 -2.04 0.00 0.00 64.05 61.47 1iyr n THR 80 Cb 0.10 -0.39 -0.06 0.00 -1.82 0.00 0.00 70.33 68.16 1iyr n THR 80 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iyr n GLN 81 N -0.88 1.43 -4.65 -2.82 6.02 -0.31 -4.94 117.38 111.22 1iyr n GLN 81 Ca 0.20 0.46 -0.33 0.00 -0.01 0.00 0.00 57.00 57.32 1iyr n GLN 81 Cb 0.10 -2.50 -0.13 0.00 1.02 0.00 0.00 30.24 28.73 1iyr n GLN 81 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1iyr s SER 82 N 5.92 4.35 -0.34 1.08 0.01 -1.26 -5.09 113.70 118.37 1iyr s SER 82 Ca 1.03 -0.21 -0.15 0.00 1.31 0.00 0.00 55.95 57.93 1iyr s SER 82 Cb -0.82 -1.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 1iyr s SER 82 CO 0.52 0.21 0.36 -0.76 0.41 0.00 0.00 173.24 173.98 1iyr s LEU 83 N 0.09 4.40 -0.18 2.44 1.43 -1.26 -4.92 118.68 120.67 1iyr s LEU 83 Ca -0.04 -0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 52.78 1iyr s LEU 83 Cb -0.14 -2.34 -0.08 0.00 0.03 0.00 0.00 46.19 43.66 1iyr s LEU 83 CO 0.04 -0.32 -0.25 1.57 0.23 0.00 0.00 176.35 177.62 1iyr n HIS 84 N 5.37 0.00 -2.20 0.29 -0.00 -1.26 -5.04 115.22 112.39 1iyr n HIS 84 Ca -0.09 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.82 1iyr n HIS 84 Cb 0.49 -0.66 0.12 0.00 -0.12 0.00 0.00 29.99 29.82 1iyr n HIS 84 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1iyr s SER 85 N -6.66 4.15 0.28 0.26 0.01 -1.26 -5.11 113.70 105.36 1iyr s SER 85 Ca -0.26 0.21 0.05 0.00 1.31 0.00 0.00 55.95 57.26 1iyr s SER 85 Cb 0.10 -0.60 -0.06 0.00 0.21 0.00 0.00 66.02 65.67 1iyr s SER 85 CO 0.33 -2.04 -0.01 -0.76 0.41 0.00 0.00 173.24 171.18 1iyr s LEU 86 N -5.44 2.31 0.00 2.44 1.43 -1.26 -5.24 118.68 112.91 1iyr s LEU 86 Ca 0.66 -1.25 0.07 0.00 -1.03 0.00 0.00 54.13 52.58 1iyr s LEU 86 Cb -0.07 -0.45 0.41 0.00 0.03 0.00 0.00 46.19 46.10 1iyr s LEU 86 CO 0.47 -0.47 0.87 -1.14 0.23 0.00 0.00 176.35 176.31