#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 1.28 3.88 3.38 0.00 -1.26 -5.09 105.19 107.37 1iyr n GLY 6 Ca 0.00 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1iyr n GLY 6 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iyr s ILE 7 N -2.00 5.20 0.76 -0.61 -1.09 -1.26 -5.02 121.20 117.18 1iyr s ILE 7 Ca 0.00 0.30 -0.17 0.00 -2.23 0.00 0.00 60.65 58.56 1iyr s ILE 7 Cb 0.00 -3.61 -0.11 0.00 -1.58 0.00 0.00 42.46 37.16 1iyr s ILE 7 CO 0.00 0.32 -0.20 -1.20 -1.23 0.00 0.00 174.94 172.63 1iyr n SER 8 N 1.00 -3.90 -3.77 3.58 7.64 -1.26 -4.89 113.62 112.02 1iyr n SER 8 Ca -0.09 0.45 -0.07 0.00 1.01 0.00 0.00 58.87 60.17 1iyr n SER 8 Cb 0.52 -0.92 0.02 0.00 -1.01 0.00 0.00 64.21 62.82 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 1.18 -0.18 -0.61 1.43 5.12 -1.26 -4.46 116.66 117.87 1iyr n ARG 9 Ca 0.05 -0.05 -0.24 0.00 -1.93 0.00 0.00 57.85 55.67 1iyr n ARG 9 Cb 0.51 -1.04 -0.04 0.00 -1.16 0.00 0.00 32.46 30.74 1iyr n ARG 9 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1iyr n GLU 10 N 1.77 0.00 -0.85 5.56 4.07 -1.26 -4.83 120.64 125.09 1iyr n GLU 10 Ca 0.00 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.81 1iyr n GLU 10 Cb 0.13 -0.55 0.18 0.00 -0.06 0.00 0.00 31.44 31.14 1iyr n GLU 10 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1iyr s THR 11 N 1.30 2.31 0.48 6.31 2.01 -1.26 -5.06 115.64 121.72 1iyr s THR 11 Ca 0.40 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.57 1iyr s THR 11 Cb -0.55 -2.32 0.07 0.00 0.01 0.00 0.00 72.50 69.71 1iyr s THR 11 CO 0.29 -0.13 0.62 -1.20 -0.69 0.00 0.00 174.62 173.51 1iyr n SER 12 N -4.30 1.85 -4.16 3.53 7.64 -1.26 -5.09 113.62 111.83 1iyr n SER 12 Ca 0.07 -2.32 -0.35 0.00 1.01 0.00 0.00 58.87 57.28 1iyr n SER 12 Cb 0.54 -0.31 0.11 0.00 -1.01 0.00 0.00 64.21 63.55 1iyr n SER 12 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1iyr n SER 13 N -2.36 -2.66 -4.52 6.43 2.88 -1.26 -4.48 113.62 107.65 1iyr n SER 13 Ca 0.11 -0.07 -0.36 0.00 -1.33 0.00 0.00 58.87 57.22 1iyr n SER 13 Cb 0.50 -0.77 -0.12 0.00 -0.75 0.00 0.00 64.21 63.07 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 0.44 0.78 -3.65 -3.46 9.92 -1.26 -4.85 116.55 114.47 1iyr n ASP 14 Ca -0.00 -0.17 -0.26 0.00 -0.53 0.00 0.00 54.79 53.83 1iyr n ASP 14 Cb 0.68 -1.11 -0.17 0.00 -0.64 0.00 0.00 41.12 39.88 1iyr n ASP 14 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1iyr s VAL 15 N 9.39 0.09 -0.75 2.53 -7.23 -1.26 -5.09 120.40 118.07 1iyr s VAL 15 Ca 1.23 -0.21 -0.20 0.00 -1.81 0.00 0.00 61.98 60.99 1iyr s VAL 15 Cb -0.85 -0.66 0.11 0.00 0.56 0.00 0.00 36.38 35.53 1iyr s VAL 15 CO 0.41 -0.21 0.96 0.00 -0.31 0.00 0.00 175.10 175.95 1iyr s ALA 16 N 2.06 3.33 0.13 1.32 0.00 -1.26 -4.91 121.76 122.43 1iyr s ALA 16 Ca 0.02 -2.35 -0.05 0.00 0.00 0.00 0.00 51.96 49.58 1iyr s ALA 16 Cb -0.16 -3.84 0.02 0.00 0.00 0.00 0.00 23.12 19.14 1iyr s ALA 16 CO -0.08 -2.73 0.26 1.28 0.00 0.00 0.00 175.76 174.49 1iyr n LEU 17 N 6.77 0.00 -4.69 0.00 4.77 -1.26 -5.15 117.00 117.44 1iyr n LEU 17 Ca 0.06 -0.90 -0.37 0.00 -0.03 0.00 0.00 56.01 54.77 1iyr n LEU 17 Cb 0.46 1.27 -0.08 0.00 -2.33 0.00 0.00 43.42 42.74 1iyr n LEU 17 CO 0.56 -0.29 -0.07 0.00 -1.33 0.00 0.00 177.39 176.26 1iyr s ALA 18 N -1.45 3.61 0.34 -1.18 0.00 -1.26 -4.98 121.76 116.85 1iyr s ALA 18 Ca 0.06 -0.66 0.07 0.00 0.00 0.00 0.00 51.96 51.43 1iyr s ALA 18 Cb -0.02 -2.38 0.77 0.00 0.00 0.00 0.00 23.12 21.49 1iyr s ALA 18 CO 0.04 -0.09 1.86 0.66 0.00 0.00 0.00 175.76 178.24 1iyr h SER 19 N 7.13 0.71 0.38 0.00 4.64 -1.97 0.29 113.55 124.72 1iyr h SER 19 Ca -0.39 0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 60.87 1iyr h SER 19 Cb 1.16 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1iyr h SER 19 CO 0.71 0.36 -0.44 0.45 -0.87 0.00 0.00 176.83 177.04 1iyr h HIS 20 N 0.75 0.09 0.16 4.77 3.86 -1.95 -1.88 115.15 120.95 1iyr h HIS 20 Ca 0.46 -0.03 -0.30 0.00 -1.16 0.00 0.00 60.37 59.34 1iyr h HIS 20 Cb 0.67 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.13 1iyr h HIS 20 CO -0.00 0.51 -1.42 0.82 0.86 0.00 0.00 177.93 178.70 1iyr h ILE 21 N 0.07 1.31 0.00 2.45 1.08 -1.34 -3.27 117.51 117.81 1iyr h ILE 21 Ca 0.00 -2.86 -0.10 0.00 -0.39 0.00 0.00 64.86 61.51 1iyr h ILE 21 Cb 0.81 2.90 -0.01 0.00 -3.07 0.00 0.00 36.82 37.45 1iyr h ILE 21 CO 0.06 0.85 -0.47 -0.07 -0.69 0.00 0.00 178.15 177.83 1iyr h LEU 22 N 0.09 0.00 0.11 1.44 3.38 -0.44 0.24 115.31 120.13 1iyr h LEU 22 Ca -0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1iyr h LEU 22 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1iyr h LEU 22 CO 0.21 0.47 -0.05 0.71 0.09 0.00 0.00 178.44 179.87 1iyr h THR 23 N 0.00 1.09 0.00 0.22 1.35 -1.44 0.40 112.91 114.53 1iyr h THR 23 Ca -0.00 -0.87 -0.12 0.00 -0.55 0.00 0.00 66.41 64.86 1iyr h THR 23 Cb 0.86 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.89 1iyr h THR 23 CO 0.06 0.21 -0.58 0.00 -0.25 0.00 0.00 175.52 174.96 1iyr h ALA 24 N 0.26 1.02 -0.00 6.62 0.00 -1.60 -2.78 119.26 122.78 1iyr h ALA 24 Ca -0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1iyr h ALA 24 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1iyr h ALA 24 CO 0.02 0.73 -0.00 1.25 0.00 0.00 0.00 179.25 181.25 1iyr h LEU 25 N 0.00 0.00 -1.76 0.00 5.85 -0.47 2.47 115.31 121.41 1iyr h LEU 25 Ca -0.01 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 57.97 1iyr h LEU 25 Cb 1.04 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1iyr h LEU 25 CO 0.08 0.75 0.04 0.08 -0.34 0.00 0.00 178.44 179.04 1iyr h ARG 26 N -0.74 0.00 0.00 1.25 0.11 0.13 -3.39 114.38 111.74 1iyr h ARG 26 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1iyr h ARG 26 Cb 0.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.83 1iyr h ARG 26 CO 0.00 0.00 0.00 -1.91 0.10 0.00 0.00 179.97 178.16 1iyr n GLU 27 N -2.45 0.00 -3.22 0.08 2.13 -1.05 -4.80 120.64 111.34 1iyr n GLU 27 Ca -0.02 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.56 1iyr n GLU 27 Cb 0.08 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.73 1iyr n GLU 27 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1iyr n LYS 28 N -1.70 1.69 -3.22 5.31 4.76 0.37 -5.04 118.16 120.33 1iyr n LYS 28 Ca 0.00 -3.94 -0.40 0.00 -2.87 0.00 0.00 58.31 51.10 1iyr n LYS 28 Cb 0.00 -1.77 -0.07 0.00 -1.84 0.00 0.00 35.03 31.35 1iyr n LYS 28 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1iyr s GLN 29 N -2.14 4.12 -0.88 1.97 -2.07 0.74 -4.77 119.66 116.63 1iyr s GLN 29 Ca 0.39 0.40 -0.15 0.00 -1.82 0.00 0.00 55.36 54.18 1iyr s GLN 29 Cb 0.21 -3.62 0.19 0.00 -1.09 0.00 0.00 33.01 28.71 1iyr s GLN 29 CO -0.08 -0.28 0.92 0.00 -1.32 0.00 0.00 175.29 174.53 1iyr s ALA 30 N 2.07 3.88 -0.18 2.60 0.00 -1.26 -4.84 121.76 124.03 1iyr s ALA 30 Ca 0.23 -3.17 0.00 0.00 0.00 0.00 0.00 51.96 49.03 1iyr s ALA 30 Cb -0.16 -3.71 0.19 0.00 0.00 0.00 0.00 23.12 19.45 1iyr s ALA 30 CO 0.09 -2.52 1.61 -0.35 0.00 0.00 0.00 175.76 174.59 1iyr n PRO 31 N 4.80 1.48 0.00 0.00 -0.05 -1.26 0.40 135.00 140.36 1iyr n PRO 31 Ca 0.18 -1.04 0.00 0.00 -0.05 0.00 0.00 63.50 62.59 1iyr n PRO 31 Cb 0.47 -1.41 0.00 0.00 -0.05 0.00 0.00 33.50 32.51 1iyr n PRO 31 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 175.50 174.60 1iyr n GLU 32 N 0.27 0.00 0.00 0.54 0.28 -1.23 -4.01 120.64 116.49 1iyr n GLU 32 Ca 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.20 1iyr n GLU 32 Cb 0.75 -0.28 0.00 0.00 1.43 0.00 0.00 31.44 33.34 1iyr n GLU 32 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1iyr n LEU 33 N -2.44 0.00 0.05 -1.84 4.77 -1.26 -3.44 117.00 112.85 1iyr n LEU 33 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1iyr n LEU 33 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1iyr n LEU 33 CO 0.00 0.00 0.37 -1.28 -1.33 0.00 0.00 177.39 175.15 1iyr h SER 34 N 0.00 0.46 -4.36 -1.43 0.87 -1.79 -3.45 113.55 103.85 1iyr h SER 34 Ca 0.00 -0.30 -0.48 0.00 -1.23 0.00 0.00 61.79 59.79 1iyr h SER 34 Cb 0.25 -0.14 0.11 0.00 -0.44 0.00 0.00 62.40 62.18 1iyr h SER 34 CO 0.00 1.03 0.35 -0.76 -0.53 0.00 0.00 176.83 176.92 1iyr s LEU 35 N -7.96 2.43 0.00 2.23 1.43 0.16 -4.97 118.68 112.00 1iyr s LEU 35 Ca -0.06 1.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 1iyr s LEU 35 Cb 0.11 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1iyr s LEU 35 CO 0.83 -2.06 0.00 -1.54 0.23 0.00 0.00 176.35 173.82 1iyr n SER 36 N -3.46 1.09 0.40 2.29 3.41 -1.26 -4.81 113.62 111.28 1iyr n SER 36 Ca 0.07 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.50 1iyr n SER 36 Cb 0.58 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.44 1iyr n SER 36 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1iyr h SER 37 N 0.00 -0.85 0.76 4.04 0.02 -1.98 -1.88 113.55 113.67 1iyr h SER 37 Ca 0.00 0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.77 1iyr h SER 37 Cb 0.00 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1iyr h SER 37 CO 0.00 -0.58 -0.91 1.56 -1.14 0.00 0.00 176.83 175.76 1iyr h GLN 38 N -1.05 0.09 0.28 3.45 4.20 -1.97 -1.82 115.11 118.29 1iyr h GLN 38 Ca -0.10 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 1iyr h GLN 38 Cb 0.78 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1iyr h GLN 38 CO 0.17 0.94 -0.14 0.22 -0.67 0.00 0.00 178.83 179.35 1iyr h ASP 39 N 0.04 -0.32 0.56 1.46 1.82 -1.94 0.31 116.42 118.35 1iyr h ASP 39 Ca -0.03 -0.14 -0.12 0.00 -0.39 0.00 0.00 57.03 56.35 1iyr h ASP 39 Cb 1.58 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 41.65 1iyr h ASP 39 CO 0.13 -0.03 -0.56 0.25 -1.61 0.00 0.00 179.24 177.42 1iyr h LEU 40 N -0.62 0.00 0.33 2.28 6.46 -1.45 -2.59 115.31 119.71 1iyr h LEU 40 Ca -0.04 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1iyr h LEU 40 Cb 0.44 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1iyr h LEU 40 CO 0.06 0.56 -0.16 -0.08 -0.62 0.00 0.00 178.44 178.21 1iyr h GLU 41 N 0.00 -0.43 -0.79 1.25 4.81 -1.22 -1.44 114.58 116.76 1iyr h GLU 41 Ca -0.01 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.38 1iyr h GLU 41 Cb 0.99 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 30.41 1iyr h GLU 41 CO 0.07 -0.17 0.52 1.37 -0.73 0.00 0.00 179.01 180.07 1iyr h LEU 42 N -1.04 0.56 -0.68 1.64 8.10 -0.45 0.11 115.31 123.55 1iyr h LEU 42 Ca -0.05 0.02 -0.14 0.00 0.11 0.00 0.00 57.88 57.83 1iyr h LEU 42 Cb 0.46 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.58 1iyr h LEU 42 CO 0.07 0.31 -0.52 0.58 -4.11 0.00 0.00 178.44 174.78 1iyr h VAL 43 N 0.60 1.34 0.00 0.15 2.07 -1.51 -2.41 116.25 116.49 1iyr h VAL 43 Ca 0.38 -1.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 1iyr h VAL 43 Cb 0.64 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1iyr h VAL 43 CO -0.15 0.54 -0.02 0.74 0.02 0.00 0.00 177.57 178.70 1iyr h THR 44 N 0.30 0.10 -0.01 2.57 2.02 0.36 0.18 112.91 118.43 1iyr h THR 44 Ca 0.01 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1iyr h THR 44 Cb 1.01 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1iyr h THR 44 CO 0.09 0.02 -0.65 0.29 0.37 0.00 0.00 175.52 175.64 1iyr n LYS 45 N -3.19 0.86 -3.30 6.66 4.01 -1.02 -4.53 118.16 117.65 1iyr n LYS 45 Ca -0.02 -0.64 -0.39 0.00 -0.51 0.00 0.00 58.31 56.75 1iyr n LYS 45 Cb 0.17 -1.47 -0.02 0.00 -0.51 0.00 0.00 35.03 33.19 1iyr n LYS 45 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1iyr n GLU 46 N -0.54 3.51 -0.55 1.97 1.02 0.05 -5.05 120.64 121.05 1iyr n GLU 46 Ca 0.07 -4.54 -0.30 0.00 -0.02 0.00 0.00 57.16 52.38 1iyr n GLU 46 Cb 0.41 -2.46 0.22 0.00 -0.02 0.00 0.00 31.44 29.60 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 1.79 -1.81 0.04 1.62 9.92 -1.26 -4.23 116.55 122.62 1iyr n ASP 47 Ca 0.25 -0.10 0.19 0.00 -0.53 0.00 0.00 54.79 54.60 1iyr n ASP 47 Cb 0.37 -1.19 0.50 0.00 -0.64 0.00 0.00 41.12 40.15 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 -2.44 0.00 0.26 -0.24 0.11 -1.94 -1.50 132.00 126.24 1iyr h PRO 48 Ca -0.58 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.52 1iyr h PRO 48 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1iyr h PRO 48 CO 0.45 0.00 -0.12 -0.22 -0.21 0.00 0.00 178.00 177.90 1iyr h LYS 49 N 0.00 -0.33 0.19 1.05 3.64 -1.98 2.50 116.57 121.64 1iyr h LYS 49 Ca 0.25 0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.39 1iyr h LYS 49 Cb 1.95 0.08 0.03 0.00 -0.41 0.00 0.00 32.23 33.87 1iyr h LYS 49 CO -0.00 -0.19 -1.20 0.00 -2.27 0.00 0.00 179.45 175.79 1iyr h ALA 50 N 0.35 -0.09 -0.90 5.00 0.00 -1.65 -3.22 119.26 118.74 1iyr h ALA 50 Ca -0.04 -0.82 0.05 0.00 0.00 0.00 0.00 54.91 54.10 1iyr h ALA 50 Cb 0.30 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1iyr h ALA 50 CO 0.06 0.58 0.59 -0.07 0.00 0.00 0.00 179.25 180.41 1iyr h LEU 51 N -0.11 0.94 -0.65 0.00 3.38 -1.32 -2.52 115.31 115.04 1iyr h LEU 51 Ca -0.22 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.81 1iyr h LEU 51 Cb 1.91 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 42.37 1iyr h LEU 51 CO 0.20 0.63 -0.43 0.00 0.09 0.00 0.00 178.44 178.93 1iyr h ALA 52 N 1.49 -0.46 0.26 1.53 0.00 0.43 0.69 119.26 123.20 1iyr h ALA 52 Ca 0.37 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 1iyr h ALA 52 Cb 0.10 1.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1iyr h ALA 52 CO -0.12 -0.74 -0.44 0.28 0.00 0.00 0.00 179.25 178.22 1iyr h VAL 53 N -0.06 0.00 0.00 0.00 2.07 -1.56 1.56 116.25 118.26 1iyr h VAL 53 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1iyr h VAL 53 Cb 0.33 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1iyr h VAL 53 CO -0.64 0.00 0.56 0.00 0.02 0.00 0.00 177.57 177.51 1iyr h ALA 54 N -0.86 1.43 -0.48 1.67 0.00 -0.60 0.54 119.26 120.96 1iyr h ALA 54 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 1iyr h ALA 54 Cb 0.69 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.10 1iyr h ALA 54 CO -0.15 -0.43 -1.05 1.47 0.00 0.00 0.00 179.25 179.08 1iyr n LEU 55 N -2.10 1.24 -3.19 0.00 -0.00 0.22 -2.45 117.00 110.71 1iyr n LEU 55 Ca -0.01 -3.16 -0.14 0.00 -0.00 0.00 0.00 56.01 52.71 1iyr n LEU 55 Cb 0.58 0.43 -0.14 0.00 -0.00 0.00 0.00 43.42 44.28 1iyr n LEU 55 CO 0.04 1.19 1.40 -3.20 -0.00 0.00 0.00 177.39 176.82 1iyr n ASN 56 N -0.59 -1.11 -1.03 1.45 2.85 0.51 -4.73 115.26 112.61 1iyr n ASN 56 Ca 0.05 -0.47 -0.00 0.00 -0.11 0.00 0.00 54.58 54.05 1iyr n ASN 56 Cb 0.81 -0.39 -0.00 0.00 1.24 0.00 0.00 39.78 41.44 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 3.86 -0.00 -2.55 1.20 8.01 -1.25 -5.05 117.44 121.65 1iyr n TRP 57 Ca 0.43 -0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 56.23 1iyr n TRP 57 Cb 0.13 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.39 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 -1.00 7.02 0.10 -0.99 1.11 -1.26 -4.87 116.67 116.77 1iyr s ASP 58 Ca 0.00 2.09 -0.24 0.00 0.18 0.00 0.00 52.55 54.58 1iyr s ASP 58 Cb 0.00 -2.60 -0.12 0.00 1.07 0.00 0.00 42.92 41.27 1iyr s ASP 58 CO 0.00 -0.31 1.71 0.40 1.18 0.00 0.00 175.17 178.15 1iyr h ILE 59 N 2.57 0.84 -0.93 0.77 2.04 -1.96 0.39 117.51 121.23 1iyr h ILE 59 Ca -0.47 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.57 1iyr h ILE 59 Cb 1.21 0.84 -0.11 0.00 -0.74 0.00 0.00 36.82 38.02 1iyr h ILE 59 CO 0.64 0.00 0.50 0.50 0.00 0.00 0.00 178.15 179.79 1iyr h LYS 60 N -0.13 0.59 0.07 2.37 3.11 -1.99 0.58 116.57 121.18 1iyr h LYS 60 Ca 0.02 -0.04 -0.26 0.00 -2.81 0.00 0.00 60.65 57.56 1iyr h LYS 60 Cb 0.14 -0.13 0.01 0.00 -1.00 0.00 0.00 32.23 31.25 1iyr h LYS 60 CO -0.04 0.39 -1.10 1.57 -2.81 0.00 0.00 179.45 177.46 1iyr h LYS 61 N 0.61 0.41 -0.22 1.90 5.09 -1.78 -2.67 116.57 119.92 1iyr h LYS 61 Ca 0.54 -0.54 -0.10 0.00 0.09 0.00 0.00 60.65 60.65 1iyr h LYS 61 Cb 0.89 0.17 -0.01 0.00 0.10 0.00 0.00 32.23 33.38 1iyr h LYS 61 CO -0.42 1.20 -0.29 1.79 -2.09 0.00 0.00 179.45 179.64 1iyr h THR 62 N 0.19 1.27 -0.19 0.07 1.35 0.14 -2.54 112.91 113.21 1iyr h THR 62 Ca -0.12 -1.32 -0.15 0.00 -0.55 0.00 0.00 66.41 64.27 1iyr h THR 62 Cb 1.77 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 69.61 1iyr h THR 62 CO 0.19 0.42 -0.50 -0.08 -0.25 0.00 0.00 175.52 175.29 1iyr h GLU 63 N 0.39 0.52 -0.57 4.72 4.81 0.06 -2.56 114.58 121.96 1iyr h GLU 63 Ca 0.05 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1iyr h GLU 63 Cb 0.71 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 1iyr h GLU 63 CO 0.05 0.90 0.30 1.79 -0.73 0.00 0.00 179.01 181.33 1iyr h THR 64 N 0.41 1.17 -0.25 0.32 1.35 -1.09 1.05 112.91 115.88 1iyr h THR 64 Ca 0.02 -0.45 -0.15 0.00 -0.55 0.00 0.00 66.41 65.29 1iyr h THR 64 Cb 1.02 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1iyr h THR 64 CO 0.09 0.19 -0.44 0.58 -0.25 0.00 0.00 175.52 175.69 1iyr h VAL 65 N 0.78 1.30 -0.00 6.82 2.07 -1.31 -1.90 116.25 124.02 1iyr h VAL 65 Ca 0.20 -1.63 -0.19 0.00 0.82 0.00 0.00 66.70 65.89 1iyr h VAL 65 Cb 0.03 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1iyr h VAL 65 CO -0.03 0.52 -0.86 -0.61 0.02 0.00 0.00 177.57 176.61 1iyr h GLN 66 N 0.50 0.22 -0.15 1.57 4.15 -0.81 -2.25 115.11 118.33 1iyr h GLN 66 Ca 0.03 -0.23 -0.18 0.00 0.77 0.00 0.00 58.65 59.05 1iyr h GLN 66 Cb 0.97 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.72 1iyr h GLN 66 CO 0.09 0.95 -0.63 1.05 -1.93 0.00 0.00 178.83 178.36 1iyr h GLU 67 N 0.13 0.55 -0.08 1.69 4.11 0.12 -2.45 114.58 118.65 1iyr h GLU 67 Ca -0.04 -0.39 -0.13 0.00 0.07 0.00 0.00 59.36 58.87 1iyr h GLU 67 Cb 1.47 0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.79 1iyr h GLU 67 CO 0.13 1.01 -0.45 0.00 0.07 0.00 0.00 179.01 179.77 1iyr h ALA 68 N 0.90 0.16 -0.85 1.06 0.00 -1.40 -2.34 119.26 116.79 1iyr h ALA 68 Ca -0.01 -0.49 0.11 0.00 0.00 0.00 0.00 54.91 54.51 1iyr h ALA 68 Cb 1.20 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1iyr h ALA 68 CO 0.12 0.31 0.55 0.00 0.00 0.00 0.00 179.25 180.22 1iyr h GLU 70 N 0.77 0.63 -0.83 0.00 4.39 -1.43 -1.83 114.58 116.28 1iyr h GLU 70 Ca 0.40 -0.50 0.20 0.00 0.34 0.00 0.00 59.36 59.79 1iyr h GLU 70 Cb 0.49 0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 1iyr h GLU 70 CO -0.17 1.12 0.56 0.00 -1.16 0.00 0.00 179.01 179.37 1iyr h ARG 71 N 0.28 0.29 0.14 2.33 2.47 -0.72 0.39 114.38 119.56 1iyr h ARG 71 Ca -0.04 -0.02 -0.25 0.00 -1.26 0.00 0.00 59.98 58.41 1iyr h ARG 71 Cb 1.23 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 29.49 1iyr h ARG 71 CO 0.12 0.19 -1.20 0.93 0.56 0.00 0.00 179.97 180.58 1iyr h GLU 72 N 0.29 0.31 0.15 0.04 4.39 -1.42 -0.87 114.58 117.48 1iyr h GLU 72 Ca 0.42 -0.52 0.01 0.00 0.34 0.00 0.00 59.36 59.61 1iyr h GLU 72 Cb 1.19 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 1iyr h GLU 72 CO -0.12 1.25 -0.20 1.25 -1.16 0.00 0.00 179.01 180.03 1iyr h LEU 73 N -0.26 -0.54 -0.15 1.33 7.12 -0.25 -1.90 115.31 120.65 1iyr h LEU 73 Ca -0.24 0.06 -0.10 0.00 0.13 0.00 0.00 57.88 57.73 1iyr h LEU 73 Cb 1.77 0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 42.09 1iyr h LEU 73 CO 0.13 -0.29 -0.48 0.00 -0.13 0.00 0.00 178.44 177.67 1iyr h ALA 74 N 0.37 0.72 -0.98 1.25 0.00 -0.47 -3.11 119.26 117.04 1iyr h ALA 74 Ca 0.01 -0.44 0.25 0.00 0.00 0.00 0.00 54.91 54.73 1iyr h ALA 74 Cb 0.40 -0.08 -0.18 0.00 0.00 0.00 0.00 17.79 17.93 1iyr h ALA 74 CO -0.08 0.60 -0.07 -0.11 0.00 0.00 0.00 179.25 179.59 1iyr n LEU 75 N -3.26 -0.20 0.00 0.00 0.00 -0.33 0.30 117.00 113.51 1iyr n LEU 75 Ca 0.02 1.68 0.00 0.00 0.00 0.00 0.00 56.01 57.70 1iyr n LEU 75 Cb 0.70 -0.57 0.00 0.00 0.00 0.00 0.00 43.42 43.55 1iyr n LEU 75 CO 0.40 -1.67 0.00 0.54 0.00 0.00 0.00 177.39 176.66 1iyr n ARG 76 N -5.51 0.00 -0.66 1.96 5.12 -1.10 -2.64 116.66 113.83 1iyr n ARG 76 Ca 0.21 0.00 0.50 0.00 -1.93 0.00 0.00 57.85 56.63 1iyr n ARG 76 Cb 0.67 -0.40 0.78 0.00 -1.16 0.00 0.00 32.46 32.34 1iyr n ARG 76 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1iyr n LEU 77 N -0.54 0.03 -0.07 0.55 0.00 -1.11 0.19 117.00 116.05 1iyr n LEU 77 Ca 0.00 1.01 -0.13 0.00 0.00 0.00 0.00 56.01 56.90 1iyr n LEU 77 Cb 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 43.42 42.81 1iyr n LEU 77 CO 0.00 -1.03 0.17 -0.61 0.00 0.00 0.00 177.39 175.93 1iyr h GLN 78 N 0.00 0.00 -0.19 1.96 4.15 0.43 -3.36 115.11 118.10 1iyr h GLN 78 Ca 0.90 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.32 1iyr h GLN 78 Cb 3.55 0.00 0.00 0.00 0.21 0.00 0.00 27.48 31.24 1iyr h GLN 78 CO -0.07 0.81 0.00 1.04 -1.93 0.00 0.00 178.83 178.68 1iyr n GLN 79 N -4.61 1.80 0.10 1.69 1.13 0.28 -4.01 117.38 113.76 1iyr n GLN 79 Ca -0.11 -1.20 -0.15 0.00 -1.94 0.00 0.00 57.00 53.59 1iyr n GLN 79 Cb 0.42 -1.40 -0.14 0.00 0.11 0.00 0.00 30.24 29.24 1iyr n GLN 79 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1iyr h THR 80 N 2.38 1.51 -2.31 5.09 1.03 0.19 -3.45 112.91 117.36 1iyr h THR 80 Ca 0.00 -3.09 -0.55 0.00 -0.01 0.00 0.00 66.41 62.76 1iyr h THR 80 Cb 0.52 2.94 0.03 0.00 -1.07 0.00 0.00 68.15 70.57 1iyr h THR 80 CO 0.00 0.90 1.16 0.00 -0.01 0.00 0.00 175.52 177.57 1iyr n GLN 81 N -3.52 2.66 -3.23 0.00 1.13 -1.26 -4.94 117.38 108.22 1iyr n GLN 81 Ca -0.08 0.97 -0.42 0.00 -1.94 0.00 0.00 57.00 55.53 1iyr n GLN 81 Cb 1.02 -2.88 -0.08 0.00 0.11 0.00 0.00 30.24 28.41 1iyr n GLN 81 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1iyr s SER 82 N 3.81 6.27 -0.06 1.08 0.01 -1.26 -5.06 113.70 118.50 1iyr s SER 82 Ca 0.88 -0.35 -0.08 0.00 1.31 0.00 0.00 55.95 57.71 1iyr s SER 82 Cb -0.52 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.40 1iyr s SER 82 CO 0.43 -0.61 0.23 -1.48 0.41 0.00 0.00 173.24 172.22 1iyr s LEU 83 N 2.44 4.40 0.19 2.44 2.34 -1.26 -5.00 118.68 124.23 1iyr s LEU 83 Ca 0.18 0.58 -0.09 0.00 0.06 0.00 0.00 54.13 54.86 1iyr s LEU 83 Cb -0.16 -2.36 0.10 0.00 -0.56 0.00 0.00 46.19 43.22 1iyr s LEU 83 CO 0.15 0.34 1.70 0.45 -1.06 0.00 0.00 176.35 177.94 1iyr h HIS 84 N 4.59 1.16 -4.41 3.48 3.86 -2.06 -3.44 115.15 118.34 1iyr h HIS 84 Ca -0.53 -0.14 -0.47 0.00 -1.16 0.00 0.00 60.37 58.07 1iyr h HIS 84 Cb 1.22 -0.33 0.11 0.00 1.06 0.00 0.00 27.41 29.47 1iyr h HIS 84 CO 0.72 0.96 0.36 -1.12 0.86 0.00 0.00 177.93 179.71 1iyr s SER 85 N -6.43 4.25 0.30 2.45 0.01 -1.26 -5.09 113.70 107.93 1iyr s SER 85 Ca -0.12 0.98 0.11 0.00 1.31 0.00 0.00 55.95 58.23 1iyr s SER 85 Cb 0.14 -1.58 -0.05 0.00 0.21 0.00 0.00 66.02 64.74 1iyr s SER 85 CO 0.84 -2.08 -0.13 -0.76 0.41 0.00 0.00 173.24 171.53 1iyr s LEU 86 N -5.75 2.74 0.00 2.44 1.02 -1.26 -5.17 118.68 112.69 1iyr s LEU 86 Ca 0.62 -1.03 0.16 0.00 0.02 0.00 0.00 54.13 53.90 1iyr s LEU 86 Cb -0.13 -1.17 0.95 0.00 0.02 0.00 0.00 46.19 45.86 1iyr s LEU 86 CO 0.52 -0.06 1.36 -1.14 0.02 0.00 0.00 176.35 177.05