#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 1.93 3.18 3.41 0.00 -1.26 -5.00 105.19 107.45 1iyr n GLY 6 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1iyr n GLY 6 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iyr s ILE 7 N -2.92 0.43 0.17 -0.61 -4.36 -1.26 -4.48 121.20 108.17 1iyr s ILE 7 Ca 0.00 -1.92 -0.13 0.00 -0.26 0.00 0.00 60.65 58.33 1iyr s ILE 7 Cb 0.00 -1.92 -0.07 0.00 1.25 0.00 0.00 42.46 41.72 1iyr s ILE 7 CO 0.00 -0.63 0.56 -0.94 0.24 0.00 0.00 174.94 174.17 1iyr s SER 8 N -3.07 6.79 0.48 4.36 1.04 -1.26 -4.97 113.70 117.06 1iyr s SER 8 Ca 0.19 1.06 0.07 0.00 0.48 0.00 0.00 55.95 57.75 1iyr s SER 8 Cb 0.07 -2.28 0.01 0.00 0.10 0.00 0.00 66.02 63.91 1iyr s SER 8 CO -0.00 0.06 0.40 -0.60 0.98 0.00 0.00 173.24 174.07 1iyr s ARG 9 N -2.16 2.38 1.02 4.02 3.00 -1.26 -5.03 118.95 120.91 1iyr s ARG 9 Ca 0.40 -1.76 -0.16 0.00 -1.00 0.00 0.00 55.73 53.21 1iyr s ARG 9 Cb -0.14 -2.25 0.09 0.00 0.00 0.00 0.00 34.95 32.65 1iyr s ARG 9 CO 0.20 -0.40 -0.04 -1.91 0.00 0.00 0.00 175.30 173.14 1iyr n GLU 10 N -1.65 -1.67 -1.51 5.12 2.13 -1.26 -4.46 120.64 117.34 1iyr n GLU 10 Ca 0.02 -0.49 -0.29 0.00 0.66 0.00 0.00 57.16 57.07 1iyr n GLU 10 Cb 0.63 -1.46 -0.16 0.00 0.27 0.00 0.00 31.44 30.72 1iyr n GLU 10 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1iyr n THR 11 N -4.23 -0.01 -4.72 6.31 -1.04 -1.26 -4.85 114.28 104.49 1iyr n THR 11 Ca 0.03 -0.36 -0.32 0.00 -2.04 0.00 0.00 64.05 61.36 1iyr n THR 11 Cb 0.47 -0.69 -0.08 0.00 -1.82 0.00 0.00 70.33 68.21 1iyr n THR 11 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1iyr s SER 12 N 5.58 3.95 1.06 8.00 0.15 -1.26 -5.14 113.70 126.05 1iyr s SER 12 Ca 1.25 -1.62 -0.17 0.00 0.70 0.00 0.00 55.95 56.12 1iyr s SER 12 Cb -0.83 0.40 0.13 0.00 -1.71 0.00 0.00 66.02 64.01 1iyr s SER 12 CO 0.45 -0.81 0.12 -1.20 1.20 0.00 0.00 173.24 173.00 1iyr n SER 13 N -1.22 -2.82 -4.49 5.45 7.64 -1.26 -4.49 113.62 112.43 1iyr n SER 13 Ca -0.16 -0.29 -0.42 0.00 1.01 0.00 0.00 58.87 59.01 1iyr n SER 13 Cb 0.67 -0.82 -0.13 0.00 -1.01 0.00 0.00 64.21 62.92 1iyr n SER 13 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1iyr n ASP 14 N -1.27 0.64 -4.44 6.43 2.03 -1.26 -4.83 116.55 113.84 1iyr n ASP 14 Ca 0.04 0.13 -0.44 0.00 0.52 0.00 0.00 54.79 55.04 1iyr n ASP 14 Cb 0.48 -1.02 -0.07 0.00 -0.72 0.00 0.00 41.12 39.79 1iyr n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1iyr s VAL 15 N 9.20 5.06 -0.62 5.18 1.01 -1.26 -4.99 120.40 133.98 1iyr s VAL 15 Ca 1.29 -0.63 -0.26 0.00 0.00 0.00 0.00 61.98 62.38 1iyr s VAL 15 Cb -1.12 -4.16 -0.10 0.00 0.00 0.00 0.00 36.38 31.00 1iyr s VAL 15 CO 0.47 -0.61 2.43 0.00 0.00 0.00 0.00 175.10 177.39 1iyr n ALA 16 N 5.68 0.63 0.00 5.51 0.00 -1.26 -4.51 120.51 126.56 1iyr n ALA 16 Ca -0.09 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1iyr n ALA 16 Cb 0.45 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 16.73 1iyr n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1iyr n LEU 17 N 16.33 0.00 -4.69 0.00 4.77 -1.26 -4.82 117.00 127.33 1iyr n LEU 17 Ca 0.42 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 56.10 1iyr n LEU 17 Cb 0.48 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.72 1iyr n LEU 17 CO 0.68 0.00 0.66 0.00 -1.33 0.00 0.00 177.39 177.40 1iyr s ALA 18 N 0.00 1.42 0.48 -1.18 0.00 -1.26 -4.85 121.76 116.38 1iyr s ALA 18 Ca 0.00 0.17 0.20 0.00 0.00 0.00 0.00 51.96 52.33 1iyr s ALA 18 Cb 0.00 -3.29 1.22 0.00 0.00 0.00 0.00 23.12 21.05 1iyr s ALA 18 CO 0.00 -2.52 1.99 0.77 0.00 0.00 0.00 175.76 176.00 1iyr h SER 19 N -1.68 0.18 -0.64 0.00 0.02 -1.88 -0.27 113.55 109.28 1iyr h SER 19 Ca -0.48 0.01 0.15 0.00 -0.84 0.00 0.00 61.79 60.63 1iyr h SER 19 Cb 1.27 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 1iyr h SER 19 CO 0.50 0.10 0.44 -0.74 -1.14 0.00 0.00 176.83 175.99 1iyr h HIS 20 N 0.20 0.24 0.09 3.45 -0.00 -1.90 0.91 115.15 118.14 1iyr h HIS 20 Ca 0.26 0.01 -0.27 0.00 -0.00 0.00 0.00 60.37 60.38 1iyr h HIS 20 Cb 0.78 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.10 1iyr h HIS 20 CO -0.00 0.09 -1.26 0.82 -0.00 0.00 0.00 177.93 177.58 1iyr h ILE 21 N 0.21 1.46 0.00 6.26 2.04 -1.38 -3.25 117.51 122.84 1iyr h ILE 21 Ca 0.31 -3.09 -0.14 0.00 1.00 0.00 0.00 64.86 62.95 1iyr h ILE 21 Cb 0.93 2.87 -0.02 0.00 -0.74 0.00 0.00 36.82 39.86 1iyr h ILE 21 CO -0.06 0.88 -0.65 -0.07 0.00 0.00 0.00 178.15 178.26 1iyr h LEU 22 N 0.05 0.00 0.02 1.44 3.38 -0.67 -2.04 115.31 117.49 1iyr h LEU 22 Ca -0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1iyr h LEU 22 Cb 1.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.69 1iyr h LEU 22 CO 0.17 0.65 -0.01 0.71 0.09 0.00 0.00 178.44 180.05 1iyr h THR 23 N 0.00 1.19 -0.07 0.22 1.35 0.65 0.49 112.91 116.73 1iyr h THR 23 Ca -0.01 -0.63 -0.13 0.00 -0.55 0.00 0.00 66.41 65.10 1iyr h THR 23 Cb 1.30 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.32 1iyr h THR 23 CO 0.08 0.16 -0.52 0.00 -0.25 0.00 0.00 175.52 174.99 1iyr h ALA 24 N 0.68 0.98 -0.25 6.62 0.00 -1.63 -2.17 119.26 123.50 1iyr h ALA 24 Ca -0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1iyr h ALA 24 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1iyr h ALA 24 CO 0.00 0.67 -0.02 -0.07 0.00 0.00 0.00 179.25 179.84 1iyr h LEU 25 N 0.16 0.44 -2.74 0.00 3.38 -1.21 3.47 115.31 118.82 1iyr h LEU 25 Ca 0.00 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1iyr h LEU 25 Cb 0.98 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1iyr h LEU 25 CO 0.08 0.67 -0.00 -0.09 0.09 0.00 0.00 178.44 179.18 1iyr h ARG 26 N 0.21 0.00 0.00 1.13 1.12 0.17 -3.41 114.38 113.60 1iyr h ARG 26 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.94 1iyr h ARG 26 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.41 1iyr h ARG 26 CO 0.02 0.00 0.00 0.39 -3.11 0.00 0.00 179.97 177.27 1iyr n GLU 27 N -3.43 0.00 -2.85 0.20 4.71 -0.68 -4.75 120.64 113.84 1iyr n GLU 27 Ca -0.03 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 56.96 1iyr n GLU 27 Cb 0.08 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.51 1iyr n GLU 27 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1iyr n LYS 28 N -1.26 1.62 -2.99 3.49 0.00 0.57 -5.03 118.16 114.55 1iyr n LYS 28 Ca 0.00 -3.64 -0.40 0.00 0.00 0.00 0.00 58.31 54.26 1iyr n LYS 28 Cb 0.00 -1.65 -0.05 0.00 0.00 0.00 0.00 35.03 33.34 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 -2.98 4.34 -0.68 1.64 -0.44 1.02 -4.86 119.66 117.70 1iyr s GLN 29 Ca 0.37 0.89 -0.22 0.00 -2.50 0.00 0.00 55.36 53.90 1iyr s GLN 29 Cb 0.39 -3.52 0.08 0.00 -1.64 0.00 0.00 33.01 28.32 1iyr s GLN 29 CO -0.05 -0.15 0.97 0.00 0.50 0.00 0.00 175.29 176.56 1iyr s ALA 30 N 1.54 3.16 -0.22 1.58 0.00 -1.26 -4.82 121.76 121.73 1iyr s ALA 30 Ca 0.36 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.37 1iyr s ALA 30 Cb -0.17 -3.86 0.22 0.00 0.00 0.00 0.00 23.12 19.31 1iyr s ALA 30 CO 0.15 -2.77 1.69 -0.35 0.00 0.00 0.00 175.76 174.47 1iyr n PRO 31 N 7.51 1.57 0.00 0.00 -0.05 -1.26 -2.68 135.00 140.09 1iyr n PRO 31 Ca -0.01 -1.23 0.00 0.00 -0.05 0.00 0.00 63.50 62.21 1iyr n PRO 31 Cb 0.46 -1.48 0.00 0.00 -0.05 0.00 0.00 33.50 32.42 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 0.21 0.00 0.00 0.54 0.00 -1.25 -3.96 120.64 116.18 1iyr n GLU 32 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.40 1iyr n GLU 32 Cb 0.76 -0.15 0.00 0.00 0.00 0.00 0.00 31.44 32.05 1iyr n GLU 32 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 1iyr n LEU 33 N -2.06 0.00 0.25 -1.84 -0.00 -1.26 -3.74 117.00 108.35 1iyr n LEU 33 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.09 1iyr n LEU 33 Cb 0.00 0.00 0.62 0.00 -0.00 0.00 0.00 43.42 44.04 1iyr n LEU 33 CO 0.00 0.00 0.99 0.28 -0.00 0.00 0.00 177.39 178.66 1iyr h SER 34 N 0.00 0.00 -6.37 1.45 0.02 -1.91 -3.43 113.55 103.30 1iyr h SER 34 Ca 0.00 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.50 1iyr h SER 34 Cb 0.08 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.64 1iyr h SER 34 CO 0.00 0.09 -0.07 0.00 -1.14 0.00 0.00 176.83 175.71 1iyr n LEU 35 N -4.29 0.00 0.00 5.07 -0.00 -1.09 -5.00 117.00 111.69 1iyr n LEU 35 Ca -0.03 -2.35 0.00 0.00 -0.00 0.00 0.00 56.01 53.64 1iyr n LEU 35 Cb 0.17 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.21 1iyr n LEU 35 CO 0.34 -0.69 0.00 -0.24 -0.00 0.00 0.00 177.39 176.80 1iyr n SER 36 N -2.35 0.59 -0.05 1.45 2.88 -1.26 -4.91 113.62 109.97 1iyr n SER 36 Ca 0.14 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.56 1iyr n SER 36 Cb 0.56 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.95 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 0.29 0.49 -3.46 0.02 -1.99 -2.78 113.55 106.12 1iyr h SER 37 Ca 0.00 -0.41 -0.20 0.00 -0.84 0.00 0.00 61.79 60.33 1iyr h SER 37 Cb 0.00 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1iyr h SER 37 CO 0.00 0.64 -0.87 1.56 -1.14 0.00 0.00 176.83 177.02 1iyr h GLN 38 N -0.06 0.26 -0.01 3.45 7.50 -1.97 -0.98 115.11 123.31 1iyr h GLN 38 Ca 0.03 -0.28 -0.00 0.00 0.50 0.00 0.00 58.65 58.90 1iyr h GLN 38 Cb 0.53 0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.14 1iyr h GLN 38 CO 0.02 0.98 0.00 -0.44 -1.50 0.00 0.00 178.83 177.89 1iyr h ASP 39 N 0.15 0.01 0.50 1.46 5.19 -1.95 0.35 116.42 122.14 1iyr h ASP 39 Ca -0.05 -0.26 -0.12 0.00 -0.62 0.00 0.00 57.03 55.98 1iyr h ASP 39 Cb 1.49 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.99 1iyr h ASP 39 CO 0.14 0.27 -0.56 0.25 -3.12 0.00 0.00 179.24 176.22 1iyr h LEU 40 N -0.25 0.06 0.37 1.55 6.46 -1.58 -2.00 115.31 119.94 1iyr h LEU 40 Ca 0.00 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 1iyr h LEU 40 Cb 0.26 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1iyr h LEU 40 CO 0.00 0.61 -0.18 -0.33 -0.62 0.00 0.00 178.44 177.92 1iyr h GLU 41 N 0.04 -0.48 -0.68 1.25 5.08 -0.98 0.22 114.58 119.03 1iyr h GLU 41 Ca -0.00 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.50 1iyr h GLU 41 Cb 1.00 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1iyr h GLU 41 CO 0.08 -0.18 0.45 -0.07 -1.00 0.00 0.00 179.01 178.29 1iyr h LEU 42 N -0.98 0.42 -0.45 1.33 4.07 -0.34 0.25 115.31 119.62 1iyr h LEU 42 Ca -0.05 0.01 -0.18 0.00 0.08 0.00 0.00 57.88 57.75 1iyr h LEU 42 Cb 0.53 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 1iyr h LEU 42 CO 0.08 0.24 -0.70 0.58 -1.08 0.00 0.00 178.44 177.57 1iyr h VAL 43 N 0.46 1.38 0.00 1.22 2.07 -1.31 -1.70 116.25 118.37 1iyr h VAL 43 Ca 0.32 -2.10 -0.02 0.00 0.82 0.00 0.00 66.70 65.71 1iyr h VAL 43 Cb 0.62 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1iyr h VAL 43 CO -0.10 0.63 -0.10 0.74 0.02 0.00 0.00 177.57 178.76 1iyr h THR 44 N 0.27 0.39 -0.01 2.57 2.02 0.28 0.28 112.91 118.71 1iyr h THR 44 Ca -0.02 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1iyr h THR 44 Cb 1.26 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1iyr h THR 44 CO 0.12 0.10 -0.47 1.17 0.37 0.00 0.00 175.52 176.81 1iyr n LYS 45 N -3.43 0.83 -3.39 6.66 4.81 -0.43 -4.39 118.16 118.83 1iyr n LYS 45 Ca -0.01 -0.62 -0.36 0.00 -0.87 0.00 0.00 58.31 56.45 1iyr n LYS 45 Cb 0.26 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 33.78 1iyr n LYS 45 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1iyr n GLU 46 N -0.54 3.18 -0.55 1.64 2.13 0.09 -5.06 120.64 121.52 1iyr n GLU 46 Ca 0.09 -4.55 -0.30 0.00 0.66 0.00 0.00 57.16 53.06 1iyr n GLU 46 Cb 0.40 -2.41 0.22 0.00 0.27 0.00 0.00 31.44 29.93 1iyr n GLU 46 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1iyr n ASP 47 N 1.67 -1.58 -0.42 4.31 8.00 -1.25 -4.06 116.55 123.21 1iyr n ASP 47 Ca 0.25 -0.05 0.35 0.00 0.71 0.00 0.00 54.79 56.05 1iyr n ASP 47 Cb 0.37 -1.24 0.64 0.00 -0.02 0.00 0.00 41.12 40.87 1iyr n ASP 47 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1iyr h PRO 48 N -2.42 0.14 -0.76 -0.24 0.13 -1.93 -1.17 132.00 125.75 1iyr h PRO 48 Ca -0.57 -0.01 0.13 0.00 -0.87 0.00 0.00 66.00 64.68 1iyr h PRO 48 Cb 1.33 -0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.29 1iyr h PRO 48 CO 0.45 0.09 -0.35 0.87 -0.23 0.00 0.00 178.00 178.83 1iyr h LYS 49 N 0.14 -0.09 0.00 0.86 1.57 -1.98 1.65 116.57 118.72 1iyr h LYS 49 Ca 0.76 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 59.40 1iyr h LYS 49 Cb 2.38 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.69 1iyr h LYS 49 CO -0.33 -0.06 -0.94 0.00 -0.57 0.00 0.00 179.45 177.55 1iyr h ALA 50 N 1.17 0.17 -0.98 3.86 0.00 -1.61 -3.30 119.26 118.56 1iyr h ALA 50 Ca 0.28 -0.93 0.24 0.00 0.00 0.00 0.00 54.91 54.50 1iyr h ALA 50 Cb 0.57 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1iyr h ALA 50 CO -0.81 0.59 0.64 1.25 0.00 0.00 0.00 179.25 180.93 1iyr h LEU 51 N -1.00 0.42 -0.22 0.00 5.85 -1.17 0.10 115.31 119.29 1iyr h LEU 51 Ca -0.22 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1iyr h LEU 51 Cb 1.01 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1iyr h LEU 51 CO -0.13 0.13 -0.02 0.00 -0.34 0.00 0.00 178.44 178.08 1iyr h ALA 52 N 1.60 0.30 -0.91 1.25 0.00 0.23 -2.12 119.26 119.62 1iyr h ALA 52 Ca 0.53 -0.23 0.22 0.00 0.00 0.00 0.00 54.91 55.44 1iyr h ALA 52 Cb 1.36 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 1iyr h ALA 52 CO -0.23 0.05 0.61 0.28 0.00 0.00 0.00 179.25 179.97 1iyr h VAL 53 N 0.16 0.63 -0.00 0.00 2.07 -0.87 2.34 116.25 120.57 1iyr h VAL 53 Ca 0.06 -0.10 -0.18 0.00 0.82 0.00 0.00 66.70 67.30 1iyr h VAL 53 Cb 0.44 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1iyr h VAL 53 CO 0.01 0.06 -0.81 0.00 0.02 0.00 0.00 177.57 176.85 1iyr h ALA 54 N 1.60 0.64 -0.93 1.67 0.00 -1.10 -3.10 119.26 118.04 1iyr h ALA 54 Ca 0.47 -0.71 -0.60 0.00 0.00 0.00 0.00 54.91 54.07 1iyr h ALA 54 Cb 1.34 -0.11 -0.39 0.00 0.00 0.00 0.00 17.79 18.63 1iyr h ALA 54 CO -0.15 0.95 -0.29 1.47 0.00 0.00 0.00 179.25 181.24 1iyr n LEU 55 N -3.63 5.73 -3.70 0.00 -0.00 0.28 -3.84 117.00 111.84 1iyr n LEU 55 Ca -0.02 -4.71 -0.16 0.00 -0.00 0.00 0.00 56.01 51.12 1iyr n LEU 55 Cb 0.77 -0.55 -0.17 0.00 -0.00 0.00 0.00 43.42 43.47 1iyr n LEU 55 CO 0.46 1.95 1.65 -3.20 -0.00 0.00 0.00 177.39 178.24 1iyr n ASN 56 N -0.72 -1.28 -1.22 1.45 2.85 0.72 -4.73 115.26 112.33 1iyr n ASN 56 Ca 0.49 -0.53 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1iyr n ASN 56 Cb 0.81 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 41.38 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 4.49 0.00 -2.27 1.20 8.01 -1.26 -5.05 117.44 122.57 1iyr n TRP 57 Ca 0.51 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 56.29 1iyr n TRP 57 Cb 0.15 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.42 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 -0.90 6.97 0.27 -0.99 1.11 -1.26 -4.79 116.67 117.07 1iyr s ASP 58 Ca 0.00 2.45 -0.01 0.00 0.18 0.00 0.00 52.55 55.17 1iyr s ASP 58 Cb 0.00 -2.63 0.47 0.00 1.07 0.00 0.00 42.92 41.83 1iyr s ASP 58 CO 0.00 -0.41 1.84 0.16 1.18 0.00 0.00 175.17 177.94 1iyr h ILE 59 N 3.31 0.96 -0.24 0.77 -2.65 -1.97 0.83 117.51 118.53 1iyr h ILE 59 Ca -0.47 -0.34 -0.04 0.00 1.03 0.00 0.00 64.86 65.04 1iyr h ILE 59 Cb 1.22 -0.11 -0.01 0.00 -2.05 0.00 0.00 36.82 35.86 1iyr h ILE 59 CO 0.70 0.18 -0.03 0.07 0.03 0.00 0.00 178.15 179.09 1iyr h LYS 60 N 0.99 0.36 0.02 0.16 2.10 -1.98 0.31 116.57 118.53 1iyr h LYS 60 Ca 0.45 -0.07 -0.19 0.00 -2.00 0.00 0.00 60.65 58.84 1iyr h LYS 60 Cb 0.37 -0.06 0.02 0.00 -0.90 0.00 0.00 32.23 31.66 1iyr h LYS 60 CO -0.23 0.42 -0.76 -0.22 -2.00 0.00 0.00 179.45 176.65 1iyr h LYS 61 N 0.35 0.49 -0.19 0.07 3.11 -0.67 -1.28 116.57 118.46 1iyr h LYS 61 Ca 0.08 -0.55 -0.09 0.00 -2.81 0.00 0.00 60.65 57.28 1iyr h LYS 61 Cb 0.29 0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1iyr h LYS 61 CO 0.01 1.19 -0.28 1.79 -2.81 0.00 0.00 179.45 179.34 1iyr h THR 62 N 0.02 1.27 -0.26 1.00 1.35 0.77 -2.41 112.91 114.64 1iyr h THR 62 Ca -0.10 -1.27 -0.17 0.00 -0.55 0.00 0.00 66.41 64.32 1iyr h THR 62 Cb 1.47 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 69.32 1iyr h THR 62 CO 0.15 0.39 -0.51 -0.33 -0.25 0.00 0.00 175.52 174.97 1iyr h GLU 63 N 0.32 0.72 -0.75 4.72 5.08 -0.41 -2.41 114.58 121.85 1iyr h GLU 63 Ca 0.05 -0.44 0.09 0.00 -1.00 0.00 0.00 59.36 58.06 1iyr h GLU 63 Cb 0.67 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 1iyr h GLU 63 CO 0.05 1.06 0.40 1.15 -1.00 0.00 0.00 179.01 180.66 1iyr h THR 64 N 0.57 0.87 -0.19 1.13 2.02 -0.73 1.20 112.91 117.77 1iyr h THR 64 Ca 0.02 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.88 1iyr h THR 64 Cb 1.08 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1iyr h THR 64 CO 0.11 0.12 -0.30 0.58 0.37 0.00 0.00 175.52 176.40 1iyr h VAL 65 N 0.67 1.27 -0.08 3.16 2.07 -1.40 -1.87 116.25 120.07 1iyr h VAL 65 Ca 0.37 -1.31 -0.14 0.00 0.82 0.00 0.00 66.70 66.44 1iyr h VAL 65 Cb 0.37 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1iyr h VAL 65 CO -0.26 0.40 -0.58 -0.61 0.02 0.00 0.00 177.57 176.54 1iyr h GLN 66 N 0.32 0.26 -0.20 1.57 5.75 0.00 -0.62 115.11 122.20 1iyr h GLN 66 Ca 0.04 -0.17 -0.17 0.00 -0.15 0.00 0.00 58.65 58.21 1iyr h GLN 66 Cb 0.69 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.26 1iyr h GLN 66 CO 0.05 0.77 -0.56 0.93 -2.65 0.00 0.00 178.83 177.38 1iyr h GLU 67 N 0.20 0.60 -0.06 1.69 3.07 0.17 -2.64 114.58 117.61 1iyr h GLU 67 Ca -0.00 -0.38 -0.09 0.00 -0.50 0.00 0.00 59.36 58.38 1iyr h GLU 67 Cb 1.08 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1iyr h GLU 67 CO 0.09 0.99 -0.33 0.00 -1.40 0.00 0.00 179.01 178.37 1iyr h ALA 68 N 0.93 0.12 -0.71 3.43 0.00 -1.28 -2.74 119.26 119.01 1iyr h ALA 68 Ca 0.01 -0.45 0.11 0.00 0.00 0.00 0.00 54.91 54.58 1iyr h ALA 68 Cb 1.11 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 1iyr h ALA 68 CO 0.11 0.19 0.32 0.00 0.00 0.00 0.00 179.25 179.87 1iyr h GLU 70 N 0.53 -0.33 -0.42 0.00 4.81 -1.54 -2.24 114.58 115.40 1iyr h GLU 70 Ca 0.36 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.74 1iyr h GLU 70 Cb 0.44 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1iyr h GLU 70 CO -0.31 0.03 0.44 0.00 -0.73 0.00 0.00 179.01 178.44 1iyr h ARG 71 N -0.82 0.00 0.05 1.92 2.47 -1.29 0.21 114.38 116.93 1iyr h ARG 71 Ca -0.03 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.41 1iyr h ARG 71 Cb 0.51 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.86 1iyr h ARG 71 CO 0.06 0.00 -1.12 0.93 0.56 0.00 0.00 179.97 180.40 1iyr h GLU 72 N 0.00 0.66 -0.59 0.04 5.08 -0.85 -2.40 114.58 116.52 1iyr h GLU 72 Ca 0.20 -0.79 0.05 0.00 -1.00 0.00 0.00 59.36 57.82 1iyr h GLU 72 Cb 1.07 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 30.51 1iyr h GLU 72 CO -0.00 1.35 0.31 1.25 -1.00 0.00 0.00 179.01 180.92 1iyr h LEU 73 N 0.33 0.46 0.01 1.33 5.85 0.04 0.21 115.31 123.53 1iyr h LEU 73 Ca -0.15 0.03 -0.26 0.00 0.84 0.00 0.00 57.88 58.34 1iyr h LEU 73 Cb 1.78 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.76 1iyr h LEU 73 CO 0.22 0.31 -1.13 0.00 -0.34 0.00 0.00 178.44 177.49 1iyr h ALA 74 N 1.31 0.20 -0.12 1.25 0.00 -1.58 -2.86 119.26 117.46 1iyr h ALA 74 Ca 0.26 -0.82 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1iyr h ALA 74 Cb 0.16 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1iyr h ALA 74 CO -0.17 0.92 -0.01 -0.07 0.00 0.00 0.00 179.25 179.92 1iyr h LEU 75 N 0.12 0.22 -1.60 0.00 4.07 -1.14 -1.56 115.31 115.42 1iyr h LEU 75 Ca -0.11 -0.33 -0.04 0.00 0.08 0.00 0.00 57.88 57.47 1iyr h LEU 75 Cb 1.83 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 43.50 1iyr h LEU 75 CO 0.19 0.49 -0.21 0.03 -1.08 0.00 0.00 178.44 177.86 1iyr h ARG 76 N -0.06 0.00 0.00 1.13 2.47 -0.70 -1.98 114.38 115.23 1iyr h ARG 76 Ca 0.03 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.65 1iyr h ARG 76 Cb 0.39 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 1iyr h ARG 76 CO 0.01 0.21 -0.50 -0.07 0.56 0.00 0.00 179.97 180.18 1iyr h LEU 77 N 0.00 0.00 -1.12 3.04 3.38 -1.30 -3.17 115.31 116.14 1iyr h LEU 77 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iyr h LEU 77 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1iyr h LEU 77 CO 0.03 0.50 0.03 1.67 0.09 0.00 0.00 178.44 180.76 1iyr n GLN 78 N -3.40 0.11 0.01 1.13 7.27 -0.61 -2.65 117.38 119.25 1iyr n GLN 78 Ca 0.01 0.60 0.23 0.00 0.07 0.00 0.00 57.00 57.91 1iyr n GLN 78 Cb 0.65 -1.89 0.66 0.00 2.41 0.00 0.00 30.24 32.06 1iyr n GLN 78 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1iyr h GLN 79 N 0.00 0.00 -0.05 3.69 4.20 -1.68 1.05 115.11 122.32 1iyr h GLN 79 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1iyr h GLN 79 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1iyr h GLN 79 CO 0.00 0.00 0.00 2.41 -0.67 0.00 0.00 178.83 180.57 1iyr n THR 80 N -3.54 0.06 -1.29 -0.54 -1.04 -1.08 -4.92 114.28 101.92 1iyr n THR 80 Ca 0.12 -0.19 -0.33 0.00 -2.04 0.00 0.00 64.05 61.60 1iyr n THR 80 Cb 0.89 0.16 0.10 0.00 -1.82 0.00 0.00 70.33 69.66 1iyr n THR 80 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1iyr s GLN 81 N -1.94 1.97 1.29 -2.82 2.00 0.36 -5.01 119.66 115.51 1iyr s GLN 81 Ca 0.37 1.64 -0.21 0.00 -2.00 0.00 0.00 55.36 55.16 1iyr s GLN 81 Cb 0.19 -1.83 0.32 0.00 0.80 0.00 0.00 33.01 32.49 1iyr s GLN 81 CO 0.30 -1.94 1.05 -1.54 -0.50 0.00 0.00 175.29 172.67 1iyr s SER 82 N -2.31 0.17 1.07 6.67 1.04 -1.26 -5.00 113.70 114.08 1iyr s SER 82 Ca 0.71 0.66 -0.12 0.00 0.48 0.00 0.00 55.95 57.68 1iyr s SER 82 Cb -0.26 -0.91 0.23 0.00 0.10 0.00 0.00 66.02 65.18 1iyr s SER 82 CO 0.48 -4.58 1.06 -1.48 0.98 0.00 0.00 173.24 169.70 1iyr s LEU 83 N -7.26 1.45 0.25 2.42 2.34 -1.26 -4.94 118.68 111.68 1iyr s LEU 83 Ca 0.71 1.61 0.24 0.00 0.06 0.00 0.00 54.13 56.75 1iyr s LEU 83 Cb -0.10 -3.69 0.48 0.00 -0.56 0.00 0.00 46.19 42.32 1iyr s LEU 83 CO 0.56 -3.72 1.54 1.12 -1.06 0.00 0.00 176.35 174.79 1iyr h HIS 84 N -2.30 0.00 -4.34 3.48 2.07 -2.06 -3.46 115.15 108.55 1iyr h HIS 84 Ca -0.56 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 56.45 1iyr h HIS 84 Cb 1.31 0.00 0.06 0.00 2.57 0.00 0.00 27.41 31.36 1iyr h HIS 84 CO 0.33 0.00 0.40 -1.12 -3.07 0.00 0.00 177.93 174.47 1iyr s SER 85 N -4.99 6.05 0.16 3.10 0.01 -1.26 -5.08 113.70 111.69 1iyr s SER 85 Ca 0.07 1.49 0.09 0.00 1.31 0.00 0.00 55.95 58.92 1iyr s SER 85 Cb 0.10 -2.48 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1iyr s SER 85 CO 0.67 -0.99 -0.15 -0.76 0.41 0.00 0.00 173.24 172.42 1iyr s LEU 86 N -5.15 2.78 0.00 2.44 1.02 -1.26 -5.15 118.68 113.36 1iyr s LEU 86 Ca 0.56 -0.63 0.28 0.00 0.02 0.00 0.00 54.13 54.35 1iyr s LEU 86 Cb -0.12 -1.52 1.64 0.00 0.02 0.00 0.00 46.19 46.21 1iyr s LEU 86 CO 0.52 0.13 1.99 -2.11 0.02 0.00 0.00 176.35 176.89