#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 0.78 3.36 3.38 0.00 -1.26 -5.07 105.19 106.38 1iyr n GLY 6 Ca 0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.00 1.24 -0.21 -0.61 -4.36 -1.26 -4.55 121.20 109.45 1iyr s ILE 7 Ca 0.00 -2.06 -0.41 0.00 -0.26 0.00 0.00 60.65 57.92 1iyr s ILE 7 Cb 0.00 -2.38 -0.18 0.00 1.25 0.00 0.00 42.46 41.16 1iyr s ILE 7 CO 0.00 -0.32 1.51 -1.20 0.24 0.00 0.00 174.94 175.17 1iyr n SER 8 N -0.47 1.54 -4.56 4.36 7.64 -1.26 -4.96 113.62 115.91 1iyr n SER 8 Ca -0.05 1.13 -0.27 0.00 1.01 0.00 0.00 58.87 60.68 1iyr n SER 8 Cb 0.64 -1.05 -0.10 0.00 -1.01 0.00 0.00 64.21 62.69 1iyr n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iyr s ARG 9 N 2.15 1.94 1.01 1.43 1.70 -1.26 -5.13 118.95 120.80 1iyr s ARG 9 Ca 0.96 -2.14 -0.16 0.00 -0.47 0.00 0.00 55.73 53.91 1iyr s ARG 9 Cb -1.18 -1.32 0.01 0.00 -0.57 0.00 0.00 34.95 31.89 1iyr s ARG 9 CO 0.64 -0.20 -0.03 -1.91 -1.08 0.00 0.00 175.30 172.71 1iyr n GLU 10 N -0.97 -0.62 -1.68 3.89 2.13 -1.26 -4.78 120.64 117.35 1iyr n GLU 10 Ca -0.08 -0.16 -0.46 0.00 0.66 0.00 0.00 57.16 57.12 1iyr n GLU 10 Cb 0.67 -1.62 -0.04 0.00 0.27 0.00 0.00 31.44 30.71 1iyr n GLU 10 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1iyr n THR 11 N -3.69 0.31 -4.38 6.31 5.66 -1.26 -4.98 114.28 112.25 1iyr n THR 11 Ca 0.03 -0.05 -0.26 0.00 -3.05 0.00 0.00 64.05 60.72 1iyr n THR 11 Cb 0.58 -1.77 -0.09 0.00 -1.55 0.00 0.00 70.33 67.50 1iyr n THR 11 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1iyr s SER 12 N 2.53 4.12 1.10 1.09 0.01 -1.26 -5.13 113.70 116.17 1iyr s SER 12 Ca 0.85 -1.15 -0.13 0.00 1.31 0.00 0.00 55.95 56.83 1iyr s SER 12 Cb -0.66 -0.46 0.23 0.00 0.21 0.00 0.00 66.02 65.34 1iyr s SER 12 CO 0.44 -0.39 0.91 -1.20 0.41 0.00 0.00 173.24 173.41 1iyr n SER 13 N -1.03 -1.33 -4.55 2.44 7.64 -1.26 -4.78 113.62 110.75 1iyr n SER 13 Ca -0.04 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.53 1iyr n SER 13 Cb 0.65 -1.28 -0.04 0.00 -1.01 0.00 0.00 64.21 62.53 1iyr n SER 13 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1iyr s ASP 14 N -2.38 4.65 -0.19 6.43 -4.77 -1.26 -4.86 116.67 114.29 1iyr s ASP 14 Ca 0.66 0.48 -0.07 0.00 -3.30 0.00 0.00 52.55 50.32 1iyr s ASP 14 Cb -0.23 -2.52 0.09 0.00 -1.09 0.00 0.00 42.92 39.16 1iyr s ASP 14 CO 0.64 -2.90 0.41 -0.69 0.70 0.00 0.00 175.17 173.32 1iyr s VAL 15 N 11.55 -0.57 -0.82 2.11 1.01 -1.26 -5.08 120.40 127.33 1iyr s VAL 15 Ca 0.85 0.17 -0.25 0.00 0.00 0.00 0.00 61.98 62.75 1iyr s VAL 15 Cb -0.14 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1iyr s VAL 15 CO 0.18 0.07 1.81 0.00 0.00 0.00 0.00 175.10 177.16 1iyr s ALA 16 N 2.49 2.03 -0.19 5.51 0.00 -1.26 -4.86 121.76 125.47 1iyr s ALA 16 Ca -0.02 -1.33 -0.05 0.00 0.00 0.00 0.00 51.96 50.56 1iyr s ALA 16 Cb -0.12 -4.45 0.07 0.00 0.00 0.00 0.00 23.12 18.62 1iyr s ALA 16 CO -0.12 -4.28 0.12 -0.51 0.00 0.00 0.00 175.76 170.97 1iyr s LEU 17 N 8.81 0.28 -0.03 0.00 1.43 -1.26 -5.06 118.68 122.86 1iyr s LEU 17 Ca 0.64 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1iyr s LEU 17 Cb -0.08 -0.14 0.02 0.00 0.03 0.00 0.00 46.19 46.03 1iyr s LEU 17 CO 0.06 -0.36 -0.03 0.00 0.23 0.00 0.00 176.35 176.25 1iyr s ALA 18 N 2.17 0.49 0.51 4.21 0.00 -1.26 -5.01 121.76 122.86 1iyr s ALA 18 Ca 0.04 0.03 0.30 0.00 0.00 0.00 0.00 51.96 52.33 1iyr s ALA 18 Cb -0.16 -0.34 1.41 0.00 0.00 0.00 0.00 23.12 24.04 1iyr s ALA 18 CO -0.13 -0.02 1.84 1.03 0.00 0.00 0.00 175.76 178.48 1iyr h SER 19 N 7.07 0.11 0.06 0.00 0.87 -1.95 1.43 113.55 121.13 1iyr h SER 19 Ca -0.39 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1iyr h SER 19 Cb 1.15 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1iyr h SER 19 CO 0.48 0.03 0.00 -0.74 -0.53 0.00 0.00 176.83 176.07 1iyr h HIS 20 N 0.10 0.00 0.13 2.24 -0.00 -1.95 0.45 115.15 116.12 1iyr h HIS 20 Ca 0.50 0.00 -0.29 0.00 -0.00 0.00 0.00 60.37 60.58 1iyr h HIS 20 Cb 1.81 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.22 1iyr h HIS 20 CO -0.00 0.00 -1.39 0.82 -0.00 0.00 0.00 177.93 177.36 1iyr h ILE 21 N 0.00 1.32 -0.25 6.26 2.04 0.16 -3.25 117.51 123.79 1iyr h ILE 21 Ca 0.00 -2.92 -0.03 0.00 1.00 0.00 0.00 64.86 62.91 1iyr h ILE 21 Cb 0.03 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 1iyr h ILE 21 CO 0.00 0.85 0.04 -0.07 0.00 0.00 0.00 178.15 178.97 1iyr h LEU 22 N 0.07 0.40 -0.81 1.44 3.38 -0.87 0.43 115.31 119.36 1iyr h LEU 22 Ca -0.19 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.59 1iyr h LEU 22 Cb 2.00 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 42.58 1iyr h LEU 22 CO 0.19 0.56 0.49 0.71 0.09 0.00 0.00 178.44 180.47 1iyr h THR 23 N 0.23 1.00 -0.02 0.22 1.35 -1.55 0.47 112.91 114.61 1iyr h THR 23 Ca 0.08 -0.30 -0.15 0.00 -0.55 0.00 0.00 66.41 65.48 1iyr h THR 23 Cb 0.33 0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 66.78 1iyr h THR 23 CO 0.00 0.16 -0.70 0.00 -0.25 0.00 0.00 175.52 174.73 1iyr h ALA 24 N 1.40 0.80 -0.39 6.62 0.00 -1.55 -3.05 119.26 123.09 1iyr h ALA 24 Ca 0.36 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1iyr h ALA 24 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1iyr h ALA 24 CO -0.19 0.84 -0.10 -0.07 0.00 0.00 0.00 179.25 179.73 1iyr h LEU 25 N 0.06 0.76 -0.39 0.00 3.38 0.18 3.05 115.31 122.35 1iyr h LEU 25 Ca -0.01 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1iyr h LEU 25 Cb 1.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1iyr h LEU 25 CO 0.10 0.95 0.00 -1.14 0.09 0.00 0.00 178.44 178.44 1iyr n ARG 26 N -4.34 0.08 0.00 1.13 0.63 0.15 -4.39 116.66 109.91 1iyr n ARG 26 Ca -0.01 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 1iyr n ARG 26 Cb 0.36 -1.67 0.00 0.00 0.45 0.00 0.00 32.46 31.60 1iyr n ARG 26 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1iyr n GLU 27 N -1.82 0.00 -0.81 -0.14 1.02 -0.89 -4.80 120.64 113.20 1iyr n GLU 27 Ca 0.02 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.82 1iyr n GLU 27 Cb 0.15 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 31.68 1iyr n GLU 27 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1iyr n LYS 28 N -2.46 -0.50 -2.87 3.49 0.00 1.01 -4.96 118.16 111.88 1iyr n LYS 28 Ca 0.00 -0.11 -0.37 0.00 0.00 0.00 0.00 58.31 57.82 1iyr n LYS 28 Cb 0.00 -1.68 -0.06 0.00 0.00 0.00 0.00 35.03 33.29 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 -3.31 4.52 0.84 1.64 2.00 -1.26 -4.58 119.66 119.50 1iyr s GLN 29 Ca 0.54 1.22 -0.23 0.00 -2.00 0.00 0.00 55.36 54.89 1iyr s GLN 29 Cb -0.18 -2.87 -0.16 0.00 0.80 0.00 0.00 33.01 30.60 1iyr s GLN 29 CO 0.69 0.34 -1.26 0.00 -0.50 0.00 0.00 175.29 174.56 1iyr n ALA 30 N 0.71 -4.35 0.24 1.58 0.00 -1.26 -3.21 120.51 114.22 1iyr n ALA 30 Ca 0.00 -1.13 0.13 0.00 0.00 0.00 0.00 53.44 52.45 1iyr n ALA 30 Cb 0.50 -0.63 0.53 0.00 0.00 0.00 0.00 19.45 19.85 1iyr n ALA 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1iyr h PRO 31 N -0.94 0.00 -0.47 0.00 0.11 -1.88 0.10 132.00 128.92 1iyr h PRO 31 Ca -0.31 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.88 1iyr h PRO 31 Cb 1.13 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.14 1iyr h PRO 31 CO 0.17 0.00 -0.35 1.49 -0.21 0.00 0.00 178.00 179.10 1iyr h GLU 32 N 0.00 -0.22 0.00 1.05 4.81 -1.82 -1.80 114.58 116.60 1iyr h GLU 32 Ca 0.08 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1iyr h GLU 32 Cb 1.34 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1iyr h GLU 32 CO -0.00 -0.15 -0.88 1.28 -0.73 0.00 0.00 179.01 178.53 1iyr n LEU 33 N -5.42 0.13 -0.06 1.64 4.77 -0.58 -4.71 117.00 112.77 1iyr n LEU 33 Ca 0.02 -0.21 -0.08 0.00 -0.03 0.00 0.00 56.01 55.70 1iyr n LEU 33 Cb 0.35 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.29 1iyr n LEU 33 CO 0.04 0.03 -0.86 -1.54 -1.33 0.00 0.00 177.39 173.74 1iyr n SER 34 N -1.49 0.39 -1.49 -1.43 3.41 0.26 -5.02 113.62 108.25 1iyr n SER 34 Ca -0.00 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1iyr n SER 34 Cb 0.14 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 1iyr n SER 34 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1iyr n LEU 35 N -2.86 0.00 0.00 1.04 4.77 -0.68 -4.92 117.00 114.35 1iyr n LEU 35 Ca -0.25 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 1iyr n LEU 35 Cb 1.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 1iyr n LEU 35 CO 0.44 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.30 1iyr n SER 36 N -1.43 0.56 0.17 -1.43 7.64 -1.26 -4.62 113.62 113.25 1iyr n SER 36 Ca 0.00 -0.22 -0.16 0.00 1.01 0.00 0.00 58.87 59.50 1iyr n SER 36 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1iyr n SER 36 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1iyr h SER 37 N 0.00 -1.43 -0.17 6.43 0.87 -1.91 -2.10 113.55 115.24 1iyr h SER 37 Ca 0.00 0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1iyr h SER 37 Cb 0.00 0.51 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1iyr h SER 37 CO 0.00 -0.57 0.12 1.56 -0.53 0.00 0.00 176.83 177.40 1iyr h GLN 38 N -0.81 0.15 0.15 2.24 1.08 -1.96 -2.71 115.11 113.25 1iyr h GLN 38 Ca -0.02 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1iyr h GLN 38 Cb 0.77 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1iyr h GLN 38 CO -0.21 0.10 -0.07 -0.44 -0.95 0.00 0.00 178.83 177.27 1iyr h ASP 39 N 0.16 -0.17 -0.62 1.46 3.32 -1.85 -0.48 116.42 118.24 1iyr h ASP 39 Ca 0.07 -0.35 0.15 0.00 0.02 0.00 0.00 57.03 56.92 1iyr h ASP 39 Cb 0.09 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1iyr h ASP 39 CO -0.01 0.31 0.43 -0.07 -1.72 0.00 0.00 179.24 178.18 1iyr h LEU 40 N -0.69 0.14 0.22 1.55 4.07 -1.21 0.35 115.31 119.74 1iyr h LEU 40 Ca -0.02 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1iyr h LEU 40 Cb 0.51 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1iyr h LEU 40 CO 0.03 0.07 -0.11 -0.33 -1.08 0.00 0.00 178.44 177.03 1iyr h GLU 41 N 0.15 -0.29 -0.43 1.13 4.39 -1.38 -1.87 114.58 116.28 1iyr h GLU 41 Ca 0.30 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1iyr h GLU 41 Cb 0.97 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 1iyr h GLU 41 CO -0.04 -0.19 0.27 1.37 -1.16 0.00 0.00 179.01 179.25 1iyr h LEU 42 N -1.05 0.50 -0.66 1.33 8.10 -0.85 -1.35 115.31 121.34 1iyr h LEU 42 Ca -0.03 -0.02 -0.14 0.00 0.11 0.00 0.00 57.88 57.80 1iyr h LEU 42 Cb 0.23 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.31 1iyr h LEU 42 CO 0.05 0.38 -0.46 0.58 -4.11 0.00 0.00 178.44 174.88 1iyr h VAL 43 N 0.59 1.31 0.00 0.15 2.07 -0.42 -2.80 116.25 117.15 1iyr h VAL 43 Ca 0.16 -1.65 -0.03 0.00 0.82 0.00 0.00 66.70 65.99 1iyr h VAL 43 Cb -0.04 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1iyr h VAL 43 CO -0.03 0.51 -0.15 0.00 0.02 0.00 0.00 177.57 177.92 1iyr h THR 44 N 0.41 1.11 -0.00 2.57 1.03 -0.38 0.47 112.91 118.12 1iyr h THR 44 Ca 0.03 -0.53 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 1iyr h THR 44 Cb 0.96 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 69.32 1iyr h THR 44 CO 0.08 0.15 -0.02 0.29 -0.01 0.00 0.00 175.52 176.02 1iyr n LYS 45 N -4.35 0.49 -3.23 0.00 5.02 -1.03 -3.72 118.16 111.34 1iyr n LYS 45 Ca -0.03 -0.03 -0.37 0.00 -2.02 0.00 0.00 58.31 55.87 1iyr n LYS 45 Cb 0.22 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 1iyr n LYS 45 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1iyr n GLU 46 N -1.23 3.56 -0.54 1.97 4.71 0.16 -5.06 120.64 124.21 1iyr n GLU 46 Ca 0.15 -4.59 -0.29 0.00 -0.01 0.00 0.00 57.16 52.42 1iyr n GLU 46 Cb 0.24 -2.41 0.24 0.00 -1.01 0.00 0.00 31.44 28.50 1iyr n GLU 46 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1iyr s ASP 47 N -1.77 1.30 0.00 1.62 1.11 -1.24 -4.06 116.67 113.63 1iyr s ASP 47 Ca 0.34 1.70 0.00 0.00 0.18 0.00 0.00 52.55 54.77 1iyr s ASP 47 Cb 0.07 -2.39 0.00 0.00 1.07 0.00 0.00 42.92 41.67 1iyr s ASP 47 CO 0.03 -4.03 0.48 -0.81 1.18 0.00 0.00 175.17 172.02 1iyr n PRO 48 N -4.82 0.00 -0.04 8.23 -0.04 -1.26 -0.90 135.00 136.18 1iyr n PRO 48 Ca 0.05 0.11 -0.04 0.00 -0.04 0.00 0.00 63.50 63.58 1iyr n PRO 48 Cb 0.54 -1.63 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 1iyr n PRO 48 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1iyr h LYS 49 N 0.00 -0.04 0.11 0.54 6.56 -1.92 -2.87 116.57 118.96 1iyr h LYS 49 Ca 0.00 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.36 1iyr h LYS 49 Cb 0.27 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 1iyr h LYS 49 CO 0.00 0.21 -1.15 0.00 -2.06 0.00 0.00 179.45 176.45 1iyr h ALA 50 N -0.75 0.09 -0.94 3.86 0.00 -1.73 -3.31 119.26 116.48 1iyr h ALA 50 Ca -0.00 -0.94 0.17 0.00 0.00 0.00 0.00 54.91 54.13 1iyr h ALA 50 Cb 0.27 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 1iyr h ALA 50 CO 0.01 0.64 0.54 1.25 0.00 0.00 0.00 179.25 181.68 1iyr h LEU 51 N -0.39 0.69 0.07 0.00 5.85 -1.16 -1.32 115.31 119.04 1iyr h LEU 51 Ca -0.24 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1iyr h LEU 51 Cb 1.67 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.63 1iyr h LEU 51 CO 0.07 0.27 -0.29 0.00 -0.34 0.00 0.00 178.44 178.15 1iyr h ALA 52 N 1.61 -0.45 -1.00 1.25 0.00 -1.60 0.15 119.26 119.22 1iyr h ALA 52 Ca 0.53 -0.03 0.25 0.00 0.00 0.00 0.00 54.91 55.65 1iyr h ALA 52 Cb 0.77 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1iyr h ALA 52 CO -0.37 -0.81 0.65 0.28 0.00 0.00 0.00 179.25 179.00 1iyr h VAL 53 N -0.47 0.58 0.00 0.00 2.07 -1.33 3.55 116.25 120.65 1iyr h VAL 53 Ca 0.04 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1iyr h VAL 53 Cb 0.53 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1iyr h VAL 53 CO -0.20 0.07 -0.45 0.00 0.02 0.00 0.00 177.57 177.01 1iyr h ALA 54 N 1.60 0.85 -1.17 1.67 0.00 -0.90 -3.21 119.26 118.10 1iyr h ALA 54 Ca 0.55 -0.41 -0.48 0.00 0.00 0.00 0.00 54.91 54.56 1iyr h ALA 54 Cb 1.42 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.72 1iyr h ALA 54 CO -0.23 0.57 -0.92 1.47 0.00 0.00 0.00 179.25 180.13 1iyr n LEU 55 N -3.42 3.44 -3.35 0.00 -0.00 0.38 -2.92 117.00 111.12 1iyr n LEU 55 Ca 0.00 -4.50 -0.14 0.00 -0.00 0.00 0.00 56.01 51.37 1iyr n LEU 55 Cb 0.61 -0.08 -0.15 0.00 -0.00 0.00 0.00 43.42 43.79 1iyr n LEU 55 CO 0.39 1.91 1.47 -3.20 -0.00 0.00 0.00 177.39 177.95 1iyr n ASN 56 N -0.38 -1.17 -1.28 1.45 2.85 1.09 -4.71 115.26 113.09 1iyr n ASN 56 Ca 0.27 -0.51 -0.02 0.00 -0.11 0.00 0.00 54.58 54.21 1iyr n ASN 56 Cb 0.76 -0.41 -0.01 0.00 1.24 0.00 0.00 39.78 41.36 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 4.06 -0.17 -2.06 1.20 8.01 -1.25 -5.04 117.44 122.19 1iyr n TRP 57 Ca 0.44 -0.35 -0.42 0.00 -1.31 0.00 0.00 57.50 55.86 1iyr n TRP 57 Cb 0.14 0.04 -0.03 0.00 -2.01 0.00 0.00 31.31 29.46 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 -1.30 6.71 0.57 -0.99 1.11 -1.26 -4.83 116.67 116.69 1iyr s ASP 58 Ca 0.05 2.34 0.28 0.00 0.18 0.00 0.00 52.55 55.39 1iyr s ASP 58 Cb 0.00 -2.57 1.50 0.00 1.07 0.00 0.00 42.92 42.93 1iyr s ASP 58 CO 0.04 -0.80 1.99 0.16 1.18 0.00 0.00 175.17 177.74 1iyr h ILE 59 N 4.76 0.53 -0.12 0.77 3.07 -1.95 1.22 117.51 125.79 1iyr h ILE 59 Ca -0.41 0.00 -0.11 0.00 1.55 0.00 0.00 64.86 65.90 1iyr h ILE 59 Cb 1.19 0.73 -0.01 0.00 -0.27 0.00 0.00 36.82 38.46 1iyr h ILE 59 CO 0.91 0.00 -0.39 0.11 -1.05 0.00 0.00 178.15 177.73 1iyr h LYS 60 N 0.00 0.27 0.05 0.16 1.57 -1.92 0.15 116.57 116.85 1iyr h LYS 60 Ca 0.19 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 1iyr h LYS 60 Cb 0.91 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.23 1iyr h LYS 60 CO -0.00 0.62 -0.49 -0.22 -0.57 0.00 0.00 179.45 178.79 1iyr h LYS 61 N 0.23 0.25 -0.42 3.15 3.11 1.00 -3.11 116.57 120.78 1iyr h LYS 61 Ca 0.02 -0.33 -0.02 0.00 -2.81 0.00 0.00 60.65 57.52 1iyr h LYS 61 Cb 0.80 0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 32.11 1iyr h LYS 61 CO 0.06 1.08 0.19 1.79 -2.81 0.00 0.00 179.45 179.77 1iyr h THR 62 N -0.43 1.15 -0.33 1.00 1.35 -0.68 0.11 112.91 115.07 1iyr h THR 62 Ca -0.07 -0.43 0.08 0.00 -0.55 0.00 0.00 66.41 65.43 1iyr h THR 62 Cb 1.29 0.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.32 1iyr h THR 62 CO 0.09 0.17 0.23 -0.08 -0.25 0.00 0.00 175.52 175.69 1iyr h GLU 63 N 0.59 0.08 -0.03 4.72 4.22 -0.70 0.34 114.58 123.79 1iyr h GLU 63 Ca 0.15 -0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.41 1iyr h GLU 63 Cb 0.08 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1iyr h GLU 63 CO -0.02 0.05 -0.74 1.15 -2.18 0.00 0.00 179.01 177.27 1iyr h THR 64 N 0.08 1.44 0.44 0.32 2.02 -0.72 -0.31 112.91 116.17 1iyr h THR 64 Ca 0.15 -2.30 -0.02 0.00 0.77 0.00 0.00 66.41 65.02 1iyr h THR 64 Cb 0.52 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1iyr h THR 64 CO -0.01 0.67 -0.21 0.58 0.37 0.00 0.00 175.52 176.92 1iyr h VAL 65 N 0.14 0.43 -0.38 3.16 2.07 -0.07 -1.89 116.25 119.71 1iyr h VAL 65 Ca -0.02 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1iyr h VAL 65 Cb 1.30 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1iyr h VAL 65 CO 0.11 0.07 0.21 0.06 0.02 0.00 0.00 177.57 178.04 1iyr h GLN 66 N -0.95 0.53 -0.08 1.57 3.07 -1.05 -1.71 115.11 116.49 1iyr h GLN 66 Ca -0.06 -0.06 0.02 0.00 0.09 0.00 0.00 58.65 58.64 1iyr h GLN 66 Cb 0.57 -0.10 -0.00 0.00 0.08 0.00 0.00 27.48 28.02 1iyr h GLN 66 CO 0.10 0.44 0.08 1.05 0.09 0.00 0.00 178.83 180.58 1iyr h GLU 67 N 0.49 0.00 0.07 0.06 -0.00 -1.10 -2.45 114.58 111.65 1iyr h GLU 67 Ca 0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.49 1iyr h GLU 67 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.81 1iyr h GLU 67 CO -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 179.01 178.95 1iyr h ALA 68 N 1.92 -0.09 -0.92 1.06 0.00 -0.46 -2.56 119.26 118.20 1iyr h ALA 68 Ca 0.04 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.84 1iyr h ALA 68 Cb 0.20 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.95 1iyr h ALA 68 CO -0.00 -0.28 0.59 0.00 0.00 0.00 0.00 179.25 179.57 1iyr h GLU 70 N 0.77 -0.16 -0.30 0.00 4.81 -1.53 -2.24 114.58 115.93 1iyr h GLU 70 Ca 0.47 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.80 1iyr h GLU 70 Cb 0.68 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1iyr h GLU 70 CO -0.23 0.13 0.29 -0.09 -0.73 0.00 0.00 179.01 178.38 1iyr h ARG 71 N -0.45 0.00 -0.01 1.92 2.43 -0.89 -0.70 114.38 116.68 1iyr h ARG 71 Ca -0.02 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 1iyr h ARG 71 Cb 0.36 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1iyr h ARG 71 CO 0.03 0.00 -0.60 1.49 -1.51 0.00 0.00 179.97 179.37 1iyr h GLU 72 N 0.00 0.42 -0.21 0.20 4.57 -1.02 -2.38 114.58 116.17 1iyr h GLU 72 Ca 0.14 -0.44 0.06 0.00 -1.18 0.00 0.00 59.36 57.94 1iyr h GLU 72 Cb 0.72 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 29.36 1iyr h GLU 72 CO -0.00 1.10 -0.27 1.25 -1.18 0.00 0.00 179.01 179.92 1iyr h LEU 73 N -0.08 -0.85 -0.95 1.64 6.46 0.19 1.07 115.31 122.79 1iyr h LEU 73 Ca -0.07 0.14 -0.09 0.00 -0.12 0.00 0.00 57.88 57.74 1iyr h LEU 73 Cb 1.31 0.38 -0.02 0.00 -0.73 0.00 0.00 40.66 41.61 1iyr h LEU 73 CO 0.12 -0.30 -0.17 0.00 -0.62 0.00 0.00 178.44 177.47 1iyr h ALA 74 N 0.68 1.12 0.00 1.25 0.00 -1.60 -2.60 119.26 118.10 1iyr h ALA 74 Ca 0.12 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1iyr h ALA 74 Cb 0.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1iyr h ALA 74 CO -0.38 0.55 -0.44 -0.07 0.00 0.00 0.00 179.25 178.92 1iyr h LEU 75 N 0.52 0.00 -1.43 0.00 4.07 -0.69 -3.05 115.31 114.72 1iyr h LEU 75 Ca 0.09 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.05 1iyr h LEU 75 Cb 0.59 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.30 1iyr h LEU 75 CO 0.04 0.44 0.39 0.03 -1.08 0.00 0.00 178.44 178.25 1iyr h ARG 76 N 0.00 0.76 -0.66 1.13 3.08 0.15 0.82 114.38 119.67 1iyr h ARG 76 Ca -0.00 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1iyr h ARG 76 Cb 0.94 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 1iyr h ARG 76 CO 0.06 0.50 0.09 -0.07 -1.07 0.00 0.00 179.97 179.47 1iyr h LEU 77 N 0.78 1.07 0.00 3.04 3.38 -1.57 -2.33 115.31 119.69 1iyr h LEU 77 Ca 0.21 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1iyr h LEU 77 Cb -0.08 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.38 1iyr h LEU 77 CO -0.05 1.07 -0.20 0.00 0.09 0.00 0.00 178.44 179.35 1iyr n GLN 78 N -4.21 0.25 -0.01 1.13 1.13 -0.54 -3.48 117.38 111.66 1iyr n GLN 78 Ca 0.04 0.16 0.07 0.00 -1.94 0.00 0.00 57.00 55.33 1iyr n GLN 78 Cb 0.31 -1.74 0.41 0.00 0.11 0.00 0.00 30.24 29.32 1iyr n GLN 78 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1iyr n GLN 79 N -2.16 1.04 -0.27 -1.09 7.27 0.28 -4.09 117.38 118.36 1iyr n GLN 79 Ca 0.05 -0.06 0.34 0.00 0.07 0.00 0.00 57.00 57.40 1iyr n GLN 79 Cb 0.43 -1.23 0.71 0.00 2.41 0.00 0.00 30.24 32.56 1iyr n GLN 79 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1iyr h THR 80 N 0.11 0.30 -4.29 1.69 1.35 -1.59 -3.40 112.91 107.08 1iyr h THR 80 Ca 0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 66.41 65.36 1iyr h THR 80 Cb 0.03 0.35 0.11 0.00 -1.73 0.00 0.00 68.15 66.91 1iyr h THR 80 CO 0.00 0.00 0.34 -1.58 -0.25 0.00 0.00 175.52 174.03 1iyr s GLN 81 N -4.80 2.32 -0.27 4.72 0.74 -1.26 -5.03 119.66 116.07 1iyr s GLN 81 Ca -0.05 0.81 -0.10 0.00 0.05 0.00 0.00 55.36 56.08 1iyr s GLN 81 Cb 0.21 -1.93 -0.04 0.00 1.10 0.00 0.00 33.01 32.34 1iyr s GLN 81 CO 0.72 -1.50 0.15 -1.54 -0.55 0.00 0.00 175.29 172.57 1iyr s SER 82 N -3.77 5.76 0.22 6.67 1.04 -1.26 -5.09 113.70 117.26 1iyr s SER 82 Ca 0.60 -0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.92 1iyr s SER 82 Cb -0.15 -2.06 -0.05 0.00 0.10 0.00 0.00 66.02 63.86 1iyr s SER 82 CO 0.55 -0.04 0.46 -0.76 0.98 0.00 0.00 173.24 174.42 1iyr s LEU 83 N 1.71 4.18 -0.14 2.42 2.01 -1.26 -5.02 118.68 122.57 1iyr s LEU 83 Ca 0.07 0.61 0.17 0.00 0.01 0.00 0.00 54.13 54.99 1iyr s LEU 83 Cb -0.16 -3.38 -0.24 0.00 0.01 0.00 0.00 46.19 42.42 1iyr s LEU 83 CO 0.09 -0.07 0.26 1.41 1.01 0.00 0.00 176.35 179.05 1iyr n HIS 84 N -0.48 0.28 -1.71 0.29 8.25 -1.26 -4.96 115.22 115.62 1iyr n HIS 84 Ca -0.02 0.10 -0.41 0.00 -0.26 0.00 0.00 57.72 57.12 1iyr n HIS 84 Cb 0.53 -1.02 0.01 0.00 1.12 0.00 0.00 29.99 30.62 1iyr n HIS 84 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1iyr n SER 85 N -2.80 2.79 -4.57 0.41 7.64 -1.26 -4.89 113.62 110.94 1iyr n SER 85 Ca -0.27 1.15 -0.41 0.00 1.01 0.00 0.00 58.87 60.35 1iyr n SER 85 Cb 1.09 -1.51 -0.03 0.00 -1.01 0.00 0.00 64.21 62.75 1iyr n SER 85 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1iyr s LEU 86 N -1.57 3.35 0.00 -3.43 2.96 -1.26 -5.25 118.68 113.48 1iyr s LEU 86 Ca 0.58 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 1iyr s LEU 86 Cb -0.52 -2.93 0.00 0.00 0.50 0.00 0.00 46.19 43.24 1iyr s LEU 86 CO 0.60 -1.73 0.00 0.54 -1.32 0.00 0.00 176.35 174.43