#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 1.71 3.33 3.38 0.00 -1.26 -5.05 105.19 107.29 1iyr n GLY 6 Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 2.06 0.16 -0.61 1.10 -1.26 -4.73 121.20 115.92 1iyr s ILE 7 Ca 0.00 -1.33 -0.14 0.00 -0.51 0.00 0.00 60.65 58.67 1iyr s ILE 7 Cb 0.00 -1.76 -0.07 0.00 0.15 0.00 0.00 42.46 40.78 1iyr s ILE 7 CO 0.00 0.37 0.56 -0.44 -2.11 0.00 0.00 174.94 173.32 1iyr s SER 8 N -1.16 6.81 -0.15 4.50 0.01 -1.26 -5.00 113.70 117.45 1iyr s SER 8 Ca 0.11 1.08 -0.29 0.00 1.31 0.00 0.00 55.95 58.16 1iyr s SER 8 Cb -0.10 -2.29 -0.07 0.00 0.21 0.00 0.00 66.02 63.78 1iyr s SER 8 CO 0.02 0.07 2.15 0.54 0.41 0.00 0.00 173.24 176.42 1iyr n ARG 9 N 0.65 2.19 -4.31 12.44 1.74 -1.26 -4.96 116.66 123.15 1iyr n ARG 9 Ca -0.04 0.68 -0.19 0.00 -0.77 0.00 0.00 57.85 57.52 1iyr n ARG 9 Cb 0.52 -3.13 -0.11 0.00 -1.02 0.00 0.00 32.46 28.72 1iyr n ARG 9 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1iyr s GLU 10 N 5.76 1.22 1.08 5.56 2.56 -1.26 -5.14 118.70 128.49 1iyr s GLU 10 Ca 0.98 -1.43 -0.14 0.00 0.00 0.00 0.00 54.97 54.38 1iyr s GLU 10 Cb -0.39 -1.12 0.17 0.00 2.00 0.00 0.00 34.13 34.78 1iyr s GLU 10 CO 0.38 0.21 0.63 -2.37 -0.56 0.00 0.00 175.26 173.55 1iyr n THR 11 N 0.10 0.00 -1.52 -1.70 5.66 -1.26 -4.62 114.28 110.94 1iyr n THR 11 Ca -0.12 -0.29 -0.21 0.00 -3.05 0.00 0.00 64.05 60.39 1iyr n THR 11 Cb 0.58 -0.82 -0.16 0.00 -1.55 0.00 0.00 70.33 68.38 1iyr n THR 11 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1iyr n SER 12 N -3.24 -0.10 -4.51 1.09 3.41 -1.26 -4.85 113.62 104.16 1iyr n SER 12 Ca 0.04 -0.83 -0.24 0.00 -0.26 0.00 0.00 58.87 57.58 1iyr n SER 12 Cb 0.56 -0.98 -0.11 0.00 -0.26 0.00 0.00 64.21 63.42 1iyr n SER 12 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1iyr s SER 13 N 4.75 3.32 0.00 4.04 0.01 -1.26 -5.16 113.70 119.40 1iyr s SER 13 Ca 1.18 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 57.20 1iyr s SER 13 Cb -0.60 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.35 1iyr s SER 13 CO 0.39 -0.32 0.00 -0.90 0.41 0.00 0.00 173.24 172.82 1iyr n ASP 14 N -0.74 0.00 -4.57 2.44 5.75 -1.26 -4.84 116.55 113.33 1iyr n ASP 14 Ca -0.05 0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.53 1iyr n ASP 14 Cb 0.64 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.66 1iyr n ASP 14 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1iyr s VAL 15 N 0.28 3.23 -0.77 2.12 -7.23 -1.26 -4.86 120.40 111.92 1iyr s VAL 15 Ca 0.00 -0.29 -0.26 0.00 -1.81 0.00 0.00 61.98 59.62 1iyr s VAL 15 Cb 0.00 -3.81 0.01 0.00 0.56 0.00 0.00 36.38 33.14 1iyr s VAL 15 CO 0.00 -0.46 1.52 0.00 -0.31 0.00 0.00 175.10 175.85 1iyr s ALA 16 N 13.43 2.50 -0.23 1.32 0.00 -1.26 -4.81 121.76 132.70 1iyr s ALA 16 Ca 0.79 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 1iyr s ALA 16 Cb -0.07 -4.35 -0.08 0.00 0.00 0.00 0.00 23.12 18.63 1iyr s ALA 16 CO 0.09 -3.64 0.51 1.28 0.00 0.00 0.00 175.76 174.00 1iyr n LEU 17 N 10.58 -0.33 -4.38 0.00 4.32 -1.26 -4.78 117.00 121.14 1iyr n LEU 17 Ca 0.16 -0.12 -0.33 0.00 -0.02 0.00 0.00 56.01 55.70 1iyr n LEU 17 Cb 0.50 -0.13 0.12 0.00 -1.62 0.00 0.00 43.42 42.29 1iyr n LEU 17 CO 0.69 -0.33 -0.19 0.00 -1.22 0.00 0.00 177.39 176.34 1iyr n ALA 18 N 1.33 -2.87 -0.22 -1.18 0.00 -1.26 -4.44 120.51 111.88 1iyr n ALA 18 Ca 0.16 -0.66 0.12 0.00 0.00 0.00 0.00 53.44 53.06 1iyr n ALA 18 Cb 0.03 -1.74 0.42 0.00 0.00 0.00 0.00 19.45 18.16 1iyr n ALA 18 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1iyr h SER 19 N -1.56 0.57 -0.38 0.00 0.02 -1.86 0.68 113.55 111.02 1iyr h SER 19 Ca -0.44 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 1iyr h SER 19 Cb 1.29 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 1iyr h SER 19 CO 0.34 0.31 0.22 0.45 -1.14 0.00 0.00 176.83 177.00 1iyr h HIS 20 N 0.61 0.53 0.18 3.45 3.86 -1.94 0.64 115.15 122.47 1iyr h HIS 20 Ca 0.39 -0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.28 1iyr h HIS 20 Cb 0.67 -0.17 0.01 0.00 1.06 0.00 0.00 27.41 28.98 1iyr h HIS 20 CO -0.00 0.37 -1.54 0.82 0.86 0.00 0.00 177.93 178.44 1iyr h ILE 21 N 0.55 1.18 -0.40 2.45 5.03 -1.29 -3.28 117.51 121.75 1iyr h ILE 21 Ca 0.14 -2.73 -0.15 0.00 -0.12 0.00 0.00 64.86 62.00 1iyr h ILE 21 Cb 0.01 2.87 -0.01 0.00 -3.03 0.00 0.00 36.82 36.66 1iyr h ILE 21 CO -0.02 0.84 -0.35 0.25 -0.68 0.00 0.00 178.15 178.19 1iyr h LEU 22 N 0.10 0.98 -0.46 1.44 6.46 -0.47 -0.51 115.31 122.86 1iyr h LEU 22 Ca -0.26 -0.43 0.02 0.00 -0.12 0.00 0.00 57.88 57.09 1iyr h LEU 22 Cb 2.08 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 41.70 1iyr h LEU 22 CO 0.20 1.23 0.28 0.00 -0.62 0.00 0.00 178.44 179.53 1iyr h THR 23 N 0.77 1.07 -0.01 1.05 1.03 0.14 0.40 112.91 117.36 1iyr h THR 23 Ca 0.07 -0.20 -0.13 0.00 -0.01 0.00 0.00 66.41 66.15 1iyr h THR 23 Cb 0.93 0.45 -0.02 0.00 -1.07 0.00 0.00 68.15 68.44 1iyr h THR 23 CO 0.09 0.10 -0.59 0.00 -0.01 0.00 0.00 175.52 175.11 1iyr h ALA 24 N 1.20 1.00 -0.10 0.00 0.00 -1.61 -2.49 119.26 117.26 1iyr h ALA 24 Ca 0.18 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1iyr h ALA 24 Cb -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1iyr h ALA 24 CO -0.07 0.74 -0.07 1.25 0.00 0.00 0.00 179.25 181.09 1iyr h LEU 25 N 0.02 0.24 -0.45 0.00 6.46 -0.16 3.28 115.31 124.71 1iyr h LEU 25 Ca -0.01 -0.45 0.00 0.00 -0.12 0.00 0.00 57.88 57.30 1iyr h LEU 25 Cb 1.06 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1iyr h LEU 25 CO 0.08 0.64 0.00 -2.11 -0.62 0.00 0.00 178.44 176.43 1iyr n ARG 26 N -4.68 0.09 0.00 1.25 -4.01 0.13 -4.39 116.66 105.05 1iyr n ARG 26 Ca -0.07 0.40 0.00 0.00 -1.04 0.00 0.00 57.85 57.14 1iyr n ARG 26 Cb 0.30 -1.70 0.00 0.00 -3.04 0.00 0.00 32.46 28.02 1iyr n ARG 26 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 1iyr n GLU 27 N -1.88 0.00 -2.92 2.89 0.00 -0.94 -4.79 120.64 113.00 1iyr n GLU 27 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.02 1iyr n GLU 27 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.59 1iyr n GLU 27 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1iyr n LYS 28 N -1.15 1.42 -2.96 5.31 4.76 0.46 -5.04 118.16 120.95 1iyr n LYS 28 Ca 0.00 -3.55 -0.41 0.00 -2.87 0.00 0.00 58.31 51.49 1iyr n LYS 28 Cb 0.00 -1.62 -0.04 0.00 -1.84 0.00 0.00 35.03 31.52 1iyr n LYS 28 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1iyr s GLN 29 N -2.86 4.38 -0.79 1.97 -0.44 0.98 -4.86 119.66 118.05 1iyr s GLN 29 Ca 0.37 0.96 -0.17 0.00 -2.50 0.00 0.00 55.36 54.02 1iyr s GLN 29 Cb 0.39 -3.51 0.15 0.00 -1.64 0.00 0.00 33.01 28.40 1iyr s GLN 29 CO -0.05 -0.11 0.87 0.00 0.50 0.00 0.00 175.29 176.50 1iyr s ALA 30 N 1.40 3.63 -0.23 1.58 0.00 -1.26 -4.85 121.76 122.03 1iyr s ALA 30 Ca 0.38 -2.79 0.01 0.00 0.00 0.00 0.00 51.96 49.57 1iyr s ALA 30 Cb -0.17 -3.70 0.27 0.00 0.00 0.00 0.00 23.12 19.51 1iyr s ALA 30 CO 0.16 -2.54 1.60 -0.35 0.00 0.00 0.00 175.76 174.63 1iyr n PRO 31 N 5.60 1.62 0.00 0.00 -0.04 -1.26 -0.85 135.00 140.08 1iyr n PRO 31 Ca 0.10 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 1iyr n PRO 31 Cb 0.46 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.04 0.00 0.00 0.54 0.00 -1.25 -4.15 120.64 115.74 1iyr n GLU 32 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.43 1iyr n GLU 32 Cb 0.89 -0.21 0.00 0.00 0.00 0.00 0.00 31.44 32.12 1iyr n GLU 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1iyr n LEU 33 N -2.45 0.00 0.18 -1.84 7.94 -1.26 -3.79 117.00 115.78 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 0.31 0.00 0.53 0.00 0.00 43.42 44.26 1iyr n LEU 33 CO 0.00 0.00 0.65 -1.28 -1.11 0.00 0.00 177.39 175.65 1iyr h SER 34 N 0.00 0.00 -4.51 1.96 0.87 -1.87 -3.44 113.55 106.55 1iyr h SER 34 Ca 0.00 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.08 1iyr h SER 34 Cb 0.39 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.44 1iyr h SER 34 CO 0.00 0.44 0.40 -0.76 -0.53 0.00 0.00 176.83 176.38 1iyr s LEU 35 N -7.52 2.66 0.00 2.23 1.43 -0.03 -4.98 118.68 112.47 1iyr s LEU 35 Ca -0.01 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 1iyr s LEU 35 Cb 0.12 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1iyr s LEU 35 CO 0.71 -1.69 0.00 -0.24 0.23 0.00 0.00 176.35 175.37 1iyr n SER 36 N -3.21 0.53 0.31 2.29 2.88 -1.26 -4.77 113.62 110.39 1iyr n SER 36 Ca 0.07 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.45 1iyr n SER 36 Cb 0.59 0.00 -0.08 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 -0.67 0.81 -3.46 4.64 -1.98 -1.08 113.55 111.81 1iyr h SER 37 Ca 0.00 -0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.12 1iyr h SER 37 Cb 0.00 0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1iyr h SER 37 CO 0.00 -0.38 -0.83 1.56 -0.87 0.00 0.00 176.83 176.32 1iyr h GLN 38 N -0.95 0.01 0.12 4.77 1.08 -1.98 -2.50 115.11 115.66 1iyr h GLN 38 Ca -0.08 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1iyr h GLN 38 Cb 0.66 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1iyr h GLN 38 CO 0.13 0.83 -0.06 0.22 -0.95 0.00 0.00 178.83 179.00 1iyr h ASP 39 N 0.00 -0.14 0.08 1.46 1.82 -1.93 0.27 116.42 117.98 1iyr h ASP 39 Ca -0.01 -0.27 -0.04 0.00 -0.39 0.00 0.00 57.03 56.32 1iyr h ASP 39 Cb 1.46 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.50 1iyr h ASP 39 CO 0.11 0.20 -0.13 -0.07 -1.61 0.00 0.00 179.24 177.74 1iyr h LEU 40 N -0.49 0.11 0.36 2.28 3.38 -1.28 0.18 115.31 119.85 1iyr h LEU 40 Ca -0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1iyr h LEU 40 Cb 0.40 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1iyr h LEU 40 CO 0.03 0.26 -0.17 -0.08 0.09 0.00 0.00 178.44 178.57 1iyr h GLU 41 N 0.12 -0.46 -0.37 1.13 4.22 -1.19 0.55 114.58 118.57 1iyr h GLU 41 Ca 0.02 0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.50 1iyr h GLU 41 Cb 0.31 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1iyr h GLU 41 CO 0.02 -0.15 0.25 1.25 -2.18 0.00 0.00 179.01 178.20 1iyr h LEU 42 N -0.92 0.41 -0.35 1.64 6.46 -0.29 -0.32 115.31 121.93 1iyr h LEU 42 Ca -0.05 -0.01 -0.19 0.00 -0.12 0.00 0.00 57.88 57.51 1iyr h LEU 42 Cb 0.53 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1iyr h LEU 42 CO 0.08 0.29 -0.74 1.62 -0.62 0.00 0.00 178.44 179.08 1iyr h VAL 43 N 0.48 1.35 0.00 1.05 3.04 -0.58 -2.41 116.25 119.18 1iyr h VAL 43 Ca 0.14 -2.09 0.00 0.00 -1.01 0.00 0.00 66.70 63.73 1iyr h VAL 43 Cb -0.02 2.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 1iyr h VAL 43 CO -0.03 0.64 0.00 0.74 -1.01 0.00 0.00 177.57 177.91 1iyr h THR 44 N 0.34 0.00 -0.02 3.17 2.02 0.19 0.48 112.91 119.08 1iyr h THR 44 Ca -0.03 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1iyr h THR 44 Cb 1.32 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1iyr h THR 44 CO 0.13 0.00 -0.25 0.29 0.37 0.00 0.00 175.52 176.06 1iyr n LYS 45 N -2.67 1.66 -1.65 6.66 5.02 -0.81 -4.71 118.16 121.66 1iyr n LYS 45 Ca -0.01 -1.33 -0.38 0.00 -2.02 0.00 0.00 58.31 54.57 1iyr n LYS 45 Cb 0.10 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 1iyr n LYS 45 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1iyr n GLU 46 N 0.51 1.83 -1.40 1.97 2.13 0.17 -4.91 120.64 120.94 1iyr n GLU 46 Ca 0.10 -2.27 -0.36 0.00 0.66 0.00 0.00 57.16 55.30 1iyr n GLU 46 Cb 0.49 -3.28 0.08 0.00 0.27 0.00 0.00 31.44 28.99 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 9.75 0.29 -0.36 4.31 9.92 -1.26 -4.20 116.55 134.99 1iyr n ASP 47 Ca 0.48 0.68 0.37 0.00 -0.53 0.00 0.00 54.79 55.80 1iyr n ASP 47 Cb 0.43 -1.37 0.69 0.00 -0.64 0.00 0.00 41.12 40.22 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 -0.11 0.00 -0.25 -0.24 0.11 -1.97 0.22 132.00 129.75 1iyr h PRO 48 Ca -0.47 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 1iyr h PRO 48 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1iyr h PRO 48 CO 0.47 0.00 -0.59 0.87 -0.21 0.00 0.00 178.00 178.54 1iyr h LYS 49 N 0.00 0.82 0.00 1.05 6.56 -1.98 -1.30 116.57 121.72 1iyr h LYS 49 Ca 0.61 -0.54 -0.10 0.00 -1.06 0.00 0.00 60.65 59.55 1iyr h LYS 49 Cb 2.76 0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 34.48 1iyr h LYS 49 CO -0.01 1.17 -0.60 0.00 -2.06 0.00 0.00 179.45 177.95 1iyr h ALA 50 N 0.71 0.12 -1.00 3.86 0.00 -0.94 -3.32 119.26 118.69 1iyr h ALA 50 Ca 0.00 -0.77 0.17 0.00 0.00 0.00 0.00 54.91 54.31 1iyr h ALA 50 Cb 1.19 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 19.26 1iyr h ALA 50 CO 0.13 0.36 0.62 1.37 0.00 0.00 0.00 179.25 181.72 1iyr h LEU 51 N -1.00 0.81 -0.14 0.00 8.10 -1.29 -1.61 115.31 120.18 1iyr h LEU 51 Ca -0.15 0.08 0.02 0.00 0.11 0.00 0.00 57.88 57.94 1iyr h LEU 51 Cb 1.01 -0.07 -0.04 0.00 -0.44 0.00 0.00 40.66 41.12 1iyr h LEU 51 CO -0.09 0.34 -0.28 0.00 -4.11 0.00 0.00 178.44 174.29 1iyr h ALA 52 N 1.61 -0.61 0.46 0.17 0.00 -1.35 1.17 119.26 120.72 1iyr h ALA 52 Ca 0.55 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 1iyr h ALA 52 Cb 0.79 0.86 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1iyr h ALA 52 CO -0.34 -0.73 -0.40 -0.24 0.00 0.00 0.00 179.25 177.55 1iyr h VAL 53 N -0.25 0.00 0.00 0.00 3.04 -1.47 1.31 116.25 118.87 1iyr h VAL 53 Ca 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 1iyr h VAL 53 Cb 0.33 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.61 1iyr h VAL 53 CO -0.26 0.00 0.23 0.00 -1.01 0.00 0.00 177.57 176.53 1iyr h ALA 54 N -1.15 1.16 -0.13 3.17 0.00 -1.08 0.48 119.26 121.71 1iyr h ALA 54 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1iyr h ALA 54 Cb 0.71 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.28 1iyr h ALA 54 CO -0.01 -0.16 -0.79 1.28 0.00 0.00 0.00 179.25 179.57 1iyr n LEU 55 N -2.13 2.24 -2.55 0.00 4.32 0.40 -1.49 117.00 117.78 1iyr n LEU 55 Ca -0.01 -3.24 -0.10 0.00 -0.02 0.00 0.00 56.01 52.64 1iyr n LEU 55 Cb 0.26 -0.22 -0.11 0.00 -1.62 0.00 0.00 43.42 41.73 1iyr n LEU 55 CO 0.07 1.13 1.09 -3.20 -1.22 0.00 0.00 177.39 175.26 1iyr n ASN 56 N -0.44 -0.92 -0.96 -1.43 2.85 0.44 -4.71 115.26 110.09 1iyr n ASN 56 Ca 0.16 -0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.21 1iyr n ASN 56 Cb 0.90 -0.32 0.00 0.00 1.24 0.00 0.00 39.78 41.60 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 3.08 -0.36 -2.41 1.20 8.01 -1.25 -5.05 117.44 120.64 1iyr n TRP 57 Ca 0.32 0.00 -0.37 0.00 -1.31 0.00 0.00 57.50 56.14 1iyr n TRP 57 Cb 0.12 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.39 1iyr n TRP 57 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1iyr s ASP 58 N -0.90 6.53 0.12 -0.99 2.15 -1.26 -4.77 116.67 117.54 1iyr s ASP 58 Ca 0.00 2.17 -0.20 0.00 0.43 0.00 0.00 52.55 54.95 1iyr s ASP 58 Cb 0.00 -2.59 -0.07 0.00 -0.30 0.00 0.00 42.92 39.95 1iyr s ASP 58 CO 0.00 -0.66 1.76 -0.29 -0.17 0.00 0.00 175.17 175.81 1iyr h ILE 59 N 2.10 1.07 -0.63 4.11 2.10 -1.97 1.40 117.51 125.69 1iyr h ILE 59 Ca -0.49 -0.15 0.11 0.00 1.08 0.00 0.00 64.86 65.41 1iyr h ILE 59 Cb 1.23 0.80 -0.04 0.00 -1.09 0.00 0.00 36.82 37.72 1iyr h ILE 59 CO 0.62 0.06 0.42 0.50 -1.08 0.00 0.00 178.15 178.67 1iyr h LYS 60 N 0.26 0.41 0.12 2.19 3.64 -1.98 0.92 116.57 122.12 1iyr h LYS 60 Ca 0.07 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.23 1iyr h LYS 60 Cb -0.01 -0.09 0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1iyr h LYS 60 CO -0.01 0.27 -0.85 -0.22 -2.27 0.00 0.00 179.45 176.36 1iyr h LYS 61 N 0.42 0.36 -0.02 1.90 3.11 -1.47 -2.60 116.57 118.27 1iyr h LYS 61 Ca 0.29 -0.55 -0.17 0.00 -2.81 0.00 0.00 60.65 57.41 1iyr h LYS 61 Cb 0.58 0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 32.00 1iyr h LYS 61 CO -0.08 1.24 -0.75 0.00 -2.81 0.00 0.00 179.45 177.05 1iyr h THR 62 N -0.23 1.48 -0.12 1.00 1.03 0.25 -2.68 112.91 113.64 1iyr h THR 62 Ca -0.14 -2.40 -0.14 0.00 -0.01 0.00 0.00 66.41 63.71 1iyr h THR 62 Cb 1.64 2.30 -0.01 0.00 -1.07 0.00 0.00 68.15 71.01 1iyr h THR 62 CO 0.16 0.70 -0.54 -0.08 -0.01 0.00 0.00 175.52 175.74 1iyr h GLU 63 N 0.09 0.34 -0.69 0.00 4.22 0.72 -2.48 114.58 116.78 1iyr h GLU 63 Ca -0.02 -0.21 -0.07 0.00 0.08 0.00 0.00 59.36 59.14 1iyr h GLU 63 Cb 1.32 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 1iyr h GLU 63 CO 0.11 0.80 0.15 1.15 -2.18 0.00 0.00 179.01 179.03 1iyr h THR 64 N 0.26 1.26 -0.45 0.32 2.02 -1.30 1.13 112.91 116.16 1iyr h THR 64 Ca 0.00 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.13 1iyr h THR 64 Cb 1.04 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1iyr h THR 64 CO 0.09 0.38 0.03 0.58 0.37 0.00 0.00 175.52 176.97 1iyr h VAL 65 N 1.05 1.23 0.00 3.16 2.07 -1.34 -0.39 116.25 122.02 1iyr h VAL 65 Ca 0.21 -0.89 -0.20 0.00 0.82 0.00 0.00 66.70 66.64 1iyr h VAL 65 Cb 0.40 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1iyr h VAL 65 CO 0.01 0.32 -0.89 -0.61 0.02 0.00 0.00 177.57 176.41 1iyr h GLN 66 N 0.68 0.24 -0.40 1.57 4.15 -0.92 -2.43 115.11 118.00 1iyr h GLN 66 Ca 0.14 -0.26 -0.09 0.00 0.77 0.00 0.00 58.65 59.22 1iyr h GLN 66 Cb 0.38 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1iyr h GLN 66 CO 0.01 0.98 -0.10 1.49 -1.93 0.00 0.00 178.83 179.28 1iyr h GLU 67 N 0.13 0.70 -0.17 1.69 4.22 0.20 -2.13 114.58 119.22 1iyr h GLU 67 Ca -0.05 -0.22 -0.19 0.00 0.08 0.00 0.00 59.36 58.98 1iyr h GLU 67 Cb 1.52 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1iyr h GLU 67 CO 0.14 0.78 -0.67 0.00 -2.18 0.00 0.00 179.01 177.08 1iyr h ALA 68 N 1.25 0.51 -0.96 2.92 0.00 -1.09 -2.76 119.26 119.12 1iyr h ALA 68 Ca 0.11 -0.57 0.09 0.00 0.00 0.00 0.00 54.91 54.54 1iyr h ALA 68 Cb 0.55 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1iyr h ALA 68 CO 0.03 0.71 0.61 0.00 0.00 0.00 0.00 179.25 180.60 1iyr h GLU 70 N 1.05 0.24 -0.90 0.00 5.08 -1.34 -2.44 114.58 116.26 1iyr h GLU 70 Ca 0.44 -0.17 0.23 0.00 -1.00 0.00 0.00 59.36 58.87 1iyr h GLU 70 Cb 0.29 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 1iyr h GLU 70 CO -0.21 0.78 0.62 -0.09 -1.00 0.00 0.00 179.01 179.11 1iyr h ARG 71 N -0.26 0.19 0.11 2.33 9.65 -1.17 0.35 114.38 125.58 1iyr h ARG 71 Ca -0.00 -0.01 -0.28 0.00 -1.10 0.00 0.00 59.98 58.58 1iyr h ARG 71 Cb 0.79 -0.04 0.02 0.00 -1.39 0.00 0.00 29.97 29.35 1iyr h ARG 71 CO 0.04 0.13 -1.21 1.49 2.80 0.00 0.00 179.97 183.22 1iyr h GLU 72 N 0.20 0.52 -0.34 0.20 4.57 -1.37 -2.60 114.58 115.75 1iyr h GLU 72 Ca 0.45 -0.71 0.08 0.00 -1.18 0.00 0.00 59.36 58.00 1iyr h GLU 72 Cb 1.45 0.24 -0.08 0.00 -0.16 0.00 0.00 28.75 30.19 1iyr h GLU 72 CO -0.10 1.31 -0.26 1.25 -1.18 0.00 0.00 179.01 180.03 1iyr h LEU 73 N 0.23 -0.85 -0.19 1.64 5.85 0.19 0.29 115.31 122.46 1iyr h LEU 73 Ca -0.16 0.16 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 1iyr h LEU 73 Cb 1.88 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 43.32 1iyr h LEU 73 CO 0.22 -0.28 -0.94 0.00 -0.34 0.00 0.00 178.44 177.10 1iyr h ALA 74 N 0.89 0.45 -0.68 1.25 0.00 -1.58 -2.19 119.26 117.41 1iyr h ALA 74 Ca 0.17 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1iyr h ALA 74 Cb 0.48 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1iyr h ALA 74 CO -0.47 0.98 0.38 1.25 0.00 0.00 0.00 179.25 181.40 1iyr h LEU 75 N 0.07 0.84 -0.51 0.00 5.85 -0.98 0.19 115.31 120.78 1iyr h LEU 75 Ca -0.05 -0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.46 1iyr h LEU 75 Cb 1.60 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 1iyr h LEU 75 CO 0.14 0.68 -0.60 -0.09 -0.34 0.00 0.00 178.44 178.23 1iyr h ARG 76 N 0.93 0.00 -0.09 1.25 1.12 -0.48 -2.60 114.38 114.51 1iyr h ARG 76 Ca 0.24 0.00 -0.23 0.00 -1.11 0.00 0.00 59.98 58.88 1iyr h ARG 76 Cb 0.02 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 29.99 1iyr h ARG 76 CO -0.04 0.60 -0.86 1.25 -3.11 0.00 0.00 179.97 177.82 1iyr h LEU 77 N 0.00 0.84 -0.05 3.80 5.85 -0.73 -3.16 115.31 121.87 1iyr h LEU 77 Ca -0.01 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.12 1iyr h LEU 77 Cb 1.24 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1iyr h LEU 77 CO 0.08 1.39 0.00 0.00 -0.34 0.00 0.00 178.44 179.57 1iyr n GLN 78 N -3.88 0.25 0.28 1.25 1.13 0.61 -3.46 117.38 113.56 1iyr n GLN 78 Ca -0.08 0.23 0.14 0.00 -1.94 0.00 0.00 57.00 55.34 1iyr n GLN 78 Cb 0.79 -1.81 0.82 0.00 0.11 0.00 0.00 30.24 30.15 1iyr n GLN 78 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1iyr h GLN 79 N 0.00 0.00 0.09 -1.09 4.20 -1.42 -2.96 115.11 113.93 1iyr h GLN 79 Ca 0.00 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.37 1iyr h GLN 79 Cb 0.71 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 1iyr h GLN 79 CO 0.00 0.06 -1.88 -2.37 -0.67 0.00 0.00 178.83 173.97 1iyr n THR 80 N -3.79 1.71 -2.79 -0.54 5.66 -1.22 -4.84 114.28 108.47 1iyr n THR 80 Ca -0.02 -0.51 -0.42 0.00 -3.05 0.00 0.00 64.05 60.04 1iyr n THR 80 Cb 0.16 -1.79 -0.03 0.00 -1.55 0.00 0.00 70.33 67.11 1iyr n THR 80 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iyr s GLN 81 N -2.51 4.20 -0.41 1.09 -2.07 -1.12 -5.01 119.66 113.83 1iyr s GLN 81 Ca -0.25 1.11 -0.03 0.00 -1.82 0.00 0.00 55.36 54.37 1iyr s GLN 81 Cb 0.07 -3.65 0.11 0.00 -1.09 0.00 0.00 33.01 28.45 1iyr s GLN 81 CO 0.72 -0.58 0.20 -1.54 -1.32 0.00 0.00 175.29 172.77 1iyr s SER 82 N 1.30 5.28 -0.16 12.60 1.04 -1.26 -4.84 113.70 127.66 1iyr s SER 82 Ca 0.39 -1.97 -0.13 0.00 0.48 0.00 0.00 55.95 54.71 1iyr s SER 82 Cb -0.15 -1.84 -0.05 0.00 0.10 0.00 0.00 66.02 64.08 1iyr s SER 82 CO 0.07 -0.54 0.28 -1.48 0.98 0.00 0.00 173.24 172.56 1iyr s LEU 83 N 1.17 4.25 -0.10 2.42 2.34 -1.26 -5.00 118.68 122.50 1iyr s LEU 83 Ca 0.07 0.50 -0.26 0.00 0.06 0.00 0.00 54.13 54.50 1iyr s LEU 83 Cb -0.23 -2.36 -0.22 0.00 -0.56 0.00 0.00 46.19 42.82 1iyr s LEU 83 CO -0.04 0.11 0.88 0.45 -1.06 0.00 0.00 176.35 176.69 1iyr h HIS 84 N 6.60 -0.02 -2.16 3.48 3.86 -2.06 -3.47 115.15 121.38 1iyr h HIS 84 Ca -0.42 -0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.22 1iyr h HIS 84 Cb 1.17 0.01 -0.14 0.00 1.06 0.00 0.00 27.41 29.51 1iyr h HIS 84 CO 0.60 0.75 -0.66 -1.54 0.86 0.00 0.00 177.93 177.95 1iyr s SER 85 N -5.99 3.39 -0.40 2.45 1.04 -1.26 -5.12 113.70 107.81 1iyr s SER 85 Ca -0.17 -1.23 -0.13 0.00 0.48 0.00 0.00 55.95 54.90 1iyr s SER 85 Cb -0.01 -0.29 0.03 0.00 0.10 0.00 0.00 66.02 65.85 1iyr s SER 85 CO 0.64 -0.30 0.27 -0.76 0.98 0.00 0.00 173.24 174.06 1iyr s LEU 86 N -3.57 5.01 0.00 2.42 1.02 -1.26 -5.22 118.68 117.08 1iyr s LEU 86 Ca 0.32 -1.01 0.00 0.00 0.02 0.00 0.00 54.13 53.47 1iyr s LEU 86 Cb 0.04 -2.10 0.00 0.00 0.02 0.00 0.00 46.19 44.15 1iyr s LEU 86 CO 0.15 -0.45 0.00 -1.14 0.02 0.00 0.00 176.35 174.94