#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vyr s GLN 26 N 0.00 3.73 0.10 1.20 -1.52 -1.26 -4.40 119.66 117.51 2vyr s GLN 26 Ca 0.00 0.12 0.03 0.00 -1.95 0.00 0.00 55.36 53.57 2vyr s GLN 26 Cb 0.00 -2.87 -0.04 0.00 -0.22 0.00 0.00 33.01 29.88 2vyr s GLN 26 CO 0.00 0.47 -0.10 0.14 -0.25 0.00 0.00 175.29 175.56 2vyr s VAL 27 N -1.58 0.91 -0.29 1.09 -7.23 0.23 -1.89 120.40 111.65 2vyr s VAL 27 Ca 0.39 -1.69 0.01 0.00 -1.81 0.00 0.00 61.98 58.88 2vyr s VAL 27 Cb -0.13 -1.41 0.06 0.00 0.56 0.00 0.00 36.38 35.47 2vyr s VAL 27 CO 0.21 -0.60 -0.04 -0.60 -0.31 0.00 0.00 175.10 173.75 2vyr s ARG 28 N -2.94 2.27 0.27 4.82 3.52 0.55 -1.37 118.95 126.06 2vyr s ARG 28 Ca 0.06 -1.36 -0.30 0.00 -0.13 0.00 0.00 55.73 54.00 2vyr s ARG 28 Cb -0.02 -3.06 -0.10 0.00 -1.56 0.00 0.00 34.95 30.21 2vyr s ARG 28 CO -0.00 -0.63 1.47 -2.14 -0.81 0.00 0.00 175.30 173.18 2vyr s PRO 29 N 1.15 4.24 0.64 5.12 0.02 -1.26 -1.79 135.00 143.12 2vyr s PRO 29 Ca -0.06 2.36 -0.18 0.00 0.02 0.00 0.00 61.00 63.15 2vyr s PRO 29 Cb -0.20 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.21 2vyr s PRO 29 CO -0.03 -0.45 1.06 1.63 -0.33 0.00 0.00 177.00 178.87 2vyr n LYS 30 N 2.15 0.88 -0.10 5.54 5.02 0.17 -4.58 118.16 127.24 2vyr n LYS 30 Ca 0.06 0.35 0.07 0.00 -2.02 0.00 0.00 58.31 56.77 2vyr n LYS 30 Cb 0.40 -2.28 0.41 0.00 -0.02 0.00 0.00 35.03 33.54 2vyr n LYS 30 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2vyr h LEU 31 N 0.34 0.53 -1.65 -0.35 3.38 -1.94 -0.72 115.31 114.90 2vyr h LEU 31 Ca -0.49 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 2vyr h LEU 31 Cb 1.35 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2vyr h LEU 31 CO 0.51 0.36 -0.02 -0.65 0.09 0.00 0.00 178.44 178.73 2vyr h PRO 32 N 0.61 0.20 0.09 1.13 0.11 -1.97 0.61 132.00 132.77 2vyr h PRO 32 Ca 0.25 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.18 2vyr h PRO 32 Cb 0.20 -0.04 0.02 0.00 0.11 0.00 0.00 31.00 31.29 2vyr h PRO 32 CO -0.07 0.23 -0.65 1.25 -0.21 0.00 0.00 178.00 178.55 2vyr h LEU 33 N 0.19 0.42 -1.01 2.35 5.85 -1.54 -3.25 115.31 118.33 2vyr h LEU 33 Ca 0.05 -0.90 0.15 0.00 0.84 0.00 0.00 57.88 58.01 2vyr h LEU 33 Cb 0.17 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 40.97 2vyr h LEU 33 CO 0.00 1.29 0.63 0.25 -0.34 0.00 0.00 178.44 180.27 2vyr h LEU 34 N -0.38 0.87 -0.40 2.25 5.85 -0.82 -0.42 115.31 122.26 2vyr h LEU 34 Ca -0.11 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2vyr h LEU 34 Cb 1.47 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 2vyr h LEU 34 CO 0.12 0.40 0.15 0.50 -0.34 0.00 0.00 178.44 179.27 2vyr h LYS 35 N 0.90 0.31 -0.67 1.25 3.64 -0.96 0.23 116.57 121.27 2vyr h LYS 35 Ca 0.53 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.86 2vyr h LYS 35 Cb 0.67 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 2vyr h LYS 35 CO -0.32 0.20 0.29 0.82 -2.27 0.00 0.00 179.45 178.18 2vyr h ILE 36 N 0.32 1.24 -0.11 2.00 2.04 -1.17 -1.68 117.51 120.14 2vyr h ILE 36 Ca 0.18 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 2vyr h ILE 36 Cb 0.16 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2vyr h ILE 36 CO -0.18 0.29 0.06 -0.07 0.00 0.00 0.00 178.15 178.24 2vyr h LEU 37 N 0.94 0.14 -1.47 1.44 3.38 -0.27 -2.76 115.31 116.72 2vyr h LEU 37 Ca 0.23 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2vyr h LEU 37 Cb 0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2vyr h LEU 37 CO -0.02 0.21 0.15 0.45 0.09 0.00 0.00 178.44 179.32 2vyr h HIS 38 N 0.06 0.49 0.00 1.13 3.86 -0.45 -0.03 115.15 120.22 2vyr h HIS 38 Ca 0.04 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2vyr h HIS 38 Cb 0.11 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 2vyr h HIS 38 CO -0.03 0.39 -0.01 0.00 0.86 0.00 0.00 177.93 179.14 2vyr h ALA 39 N 1.66 1.01 -0.02 2.45 0.00 -1.07 -1.30 119.26 121.99 2vyr h ALA 39 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2vyr h ALA 39 Cb 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2vyr h ALA 39 CO -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 179.25 179.23 2vyr n ALA 40 N -2.10 2.57 0.00 0.00 0.00 -0.08 -4.94 120.51 115.97 2vyr n ALA 40 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2vyr n ALA 40 Cb 0.24 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2vyr n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vyr n GLY 41 N 1.26 0.68 3.74 0.00 0.00 -0.49 -4.82 105.19 105.56 2vyr n GLY 41 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2vyr n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vyr s ALA 42 N -2.00 2.48 0.06 4.61 0.00 -0.86 -4.97 121.76 121.08 2vyr s ALA 42 Ca 0.00 1.19 0.08 0.00 0.00 0.00 0.00 51.96 53.23 2vyr s ALA 42 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 2vyr s ALA 42 CO 0.00 -1.47 -0.20 -0.65 0.00 0.00 0.00 175.76 173.44 2vyr s GLN 43 N -3.30 1.93 0.80 0.00 -1.52 -1.26 -4.44 119.66 111.86 2vyr s GLN 43 Ca 0.80 -1.06 0.00 0.00 -1.95 0.00 0.00 55.36 53.15 2vyr s GLN 43 Cb -0.36 -2.12 0.00 0.00 -0.22 0.00 0.00 33.01 30.31 2vyr s GLN 43 CO 0.39 0.52 0.00 0.41 -0.25 0.00 0.00 175.29 176.36 2vyr n GLY 44 N 1.41 -1.99 0.00 3.09 0.00 -1.26 -4.77 105.19 101.68 2vyr n GLY 44 Ca -0.16 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2vyr n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vyr n GLU 45 N 0.00 1.43 -4.88 1.61 1.02 -1.26 -5.00 120.64 113.56 2vyr n GLU 45 Ca 0.00 -0.22 -0.26 0.00 -0.02 0.00 0.00 57.16 56.67 2vyr n GLU 45 Cb 0.00 -0.66 -0.15 0.00 -0.02 0.00 0.00 31.44 30.60 2vyr n GLU 45 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2vyr s MET 46 N -0.27 1.50 0.19 3.49 -1.94 -1.26 -4.05 119.30 116.97 2vyr s MET 46 Ca 0.00 -0.70 -0.14 0.00 -1.71 0.00 0.00 55.69 53.14 2vyr s MET 46 Cb 0.00 -1.47 0.01 0.00 2.01 0.00 0.00 34.83 35.39 2vyr s MET 46 CO 0.00 0.40 0.44 -0.06 -0.01 0.00 0.00 175.02 175.79 2vyr s PHE 47 N -0.48 0.09 0.50 -0.03 0.40 -0.47 -4.96 117.98 113.03 2vyr s PHE 47 Ca 0.07 -0.44 -0.07 0.00 -0.60 0.00 0.00 56.93 55.89 2vyr s PHE 47 Cb -0.07 0.23 -0.04 0.00 0.51 0.00 0.00 43.02 43.65 2vyr s PHE 47 CO -0.00 -0.86 0.84 0.95 0.70 0.00 0.00 175.22 176.84 2vyr s THR 48 N -3.92 4.85 0.26 0.64 -4.23 -1.26 0.76 115.64 112.74 2vyr s THR 48 Ca 0.13 0.41 -0.03 0.00 -1.18 0.00 0.00 61.69 61.02 2vyr s THR 48 Cb 0.00 -3.85 0.25 0.00 1.34 0.00 0.00 72.50 70.25 2vyr s THR 48 CO -0.01 -0.87 1.87 0.58 -0.54 0.00 0.00 174.62 175.65 2vyr h VAL 49 N 0.23 1.06 -0.85 2.29 2.07 -1.96 -1.80 116.25 117.30 2vyr h VAL 49 Ca -0.46 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 2vyr h VAL 49 Cb 1.20 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2vyr h VAL 49 CO 0.62 0.20 0.48 0.11 0.02 0.00 0.00 177.57 179.00 2vyr h LYS 50 N 1.10 1.16 -0.66 1.57 1.57 -1.95 -1.93 116.57 117.43 2vyr h LYS 50 Ca 0.42 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 59.01 2vyr h LYS 50 Cb 0.19 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2vyr h LYS 50 CO -0.18 0.83 0.15 0.93 -0.57 0.00 0.00 179.45 180.61 2vyr h GLU 51 N 1.17 1.07 -0.31 3.15 5.08 -1.74 -1.37 114.58 121.63 2vyr h GLU 51 Ca 0.30 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2vyr h GLU 51 Cb -0.01 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 2vyr h GLU 51 CO -0.05 0.96 0.15 0.28 -1.00 0.00 0.00 179.01 179.35 2vyr h VAL 52 N 0.99 0.98 -0.62 3.13 2.07 -0.81 -0.60 116.25 121.39 2vyr h VAL 52 Ca 0.21 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.52 2vyr h VAL 52 Cb 0.38 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2vyr h VAL 52 CO 0.00 0.06 0.02 0.24 0.02 0.00 0.00 177.57 177.91 2vyr h MET 53 N 0.32 1.08 -0.63 1.57 2.86 -1.16 0.08 114.93 119.04 2vyr h MET 53 Ca 0.13 -0.33 -0.07 0.00 -2.06 0.00 0.00 59.70 57.37 2vyr h MET 53 Cb 0.05 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 2vyr h MET 53 CO -0.10 1.04 0.14 1.25 1.06 0.00 0.00 176.91 180.30 2vyr h HIS 54 N 0.99 1.06 -0.20 -0.22 6.17 -0.94 0.64 115.15 122.64 2vyr h HIS 54 Ca 0.18 -0.12 -0.10 0.00 0.71 0.00 0.00 60.37 61.04 2vyr h HIS 54 Cb 0.54 -0.30 -0.01 0.00 2.52 0.00 0.00 27.41 30.16 2vyr h HIS 54 CO 0.04 0.88 -0.31 1.88 0.71 0.00 0.00 177.93 181.12 2vyr h TYR 55 N 0.96 0.47 -0.55 5.26 0.05 -0.80 -1.48 116.97 120.87 2vyr h TYR 55 Ca 0.20 -0.11 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 2vyr h TYR 55 Cb 0.36 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 2vyr h TYR 55 CO 0.03 0.68 0.14 1.25 -1.05 0.00 0.00 178.16 179.20 2vyr h LEU 56 N 0.36 0.83 -0.48 3.88 5.85 -0.33 0.69 115.31 126.10 2vyr h LEU 56 Ca 0.05 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.58 2vyr h LEU 56 Cb 0.73 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 2vyr h LEU 56 CO 0.06 0.85 0.22 1.23 -0.34 0.00 0.00 178.44 180.46 2vyr h GLY 57 N 0.78 0.66 0.93 3.75 0.00 -0.69 -1.88 103.07 106.61 2vyr h GLY 57 Ca 0.17 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.37 2vyr h GLY 57 CO 0.00 0.09 0.29 1.46 0.00 0.00 0.00 176.54 178.38 2vyr h GLN 58 N 0.44 0.56 -0.07 4.80 1.08 -0.86 -2.41 115.11 118.66 2vyr h GLN 58 Ca 0.21 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.42 2vyr h GLN 58 Cb 0.14 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.40 2vyr h GLN 58 CO -0.16 0.37 -0.23 -0.92 -0.95 0.00 0.00 178.83 176.94 2vyr h TYR 59 N 0.58 -0.62 -0.98 2.96 3.20 -0.50 0.82 116.97 122.44 2vyr h TYR 59 Ca 0.18 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.12 2vyr h TYR 59 Cb -0.01 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 38.48 2vyr h TYR 59 CO -0.06 -0.32 0.64 0.82 -1.64 0.00 0.00 178.16 177.60 2vyr h ILE 60 N -0.33 1.14 0.14 1.81 2.04 -1.20 -0.19 117.51 120.91 2vyr h ILE 60 Ca 0.08 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2vyr h ILE 60 Cb 0.44 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 2vyr h ILE 60 CO -0.26 0.22 -0.07 -0.03 0.00 0.00 0.00 178.15 178.01 2vyr h MET 61 N 1.20 -0.18 -0.02 2.37 4.05 -0.95 -0.91 114.93 120.49 2vyr h MET 61 Ca 0.40 0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.75 2vyr h MET 61 Cb 0.07 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 2vyr h MET 61 CO -0.14 0.20 -0.39 -0.39 0.23 0.00 0.00 176.91 176.42 2vyr h VAL 62 N -0.60 1.29 -0.00 -5.77 -1.51 -0.68 -1.52 116.25 107.45 2vyr h VAL 62 Ca -0.02 -1.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.06 2vyr h VAL 62 Cb 0.46 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2vyr h VAL 62 CO 0.03 0.40 -0.11 0.29 -1.23 0.00 0.00 177.57 176.96 2vyr n LYS 63 N -4.06 0.73 -3.83 5.19 4.76 -0.10 -4.94 118.16 115.91 2vyr n LYS 63 Ca -0.02 -0.26 -0.24 0.00 -2.87 0.00 0.00 58.31 54.93 2vyr n LYS 63 Cb 0.43 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 32.14 2vyr n LYS 63 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2vyr n GLN 64 N -0.91 -4.32 0.03 1.97 6.02 -0.57 -4.88 117.38 114.72 2vyr n GLN 64 Ca 0.15 0.53 0.13 0.00 -0.01 0.00 0.00 57.00 57.80 2vyr n GLN 64 Cb 0.28 -4.96 0.41 0.00 1.02 0.00 0.00 30.24 26.98 2vyr n GLN 64 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2vyr n LEU 65 N -4.36 0.38 -4.88 1.08 4.77 -0.44 -4.88 117.00 108.68 2vyr n LEU 65 Ca -0.26 0.33 -0.30 0.00 -0.03 0.00 0.00 56.01 55.75 2vyr n LEU 65 Cb 0.66 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 2vyr n LEU 65 CO 0.72 -0.00 0.67 -0.72 -1.33 0.00 0.00 177.39 176.73 2vyr s TYR 66 N -3.04 3.59 -0.24 -1.77 -0.85 -1.26 -0.03 117.35 113.75 2vyr s TYR 66 Ca 0.11 1.19 -0.23 0.00 -0.52 0.00 0.00 57.07 57.63 2vyr s TYR 66 Cb 0.17 -2.67 -0.01 0.00 0.38 0.00 0.00 41.96 39.82 2vyr s TYR 66 CO 0.62 -0.66 0.74 0.34 -1.52 0.00 0.00 175.55 175.07 2vyr s ASP 67 N -4.18 6.72 0.37 -0.18 -1.08 -0.80 -4.86 116.67 112.66 2vyr s ASP 67 Ca 0.54 0.89 0.11 0.00 -0.52 0.00 0.00 52.55 53.57 2vyr s ASP 67 Cb -0.11 -2.39 0.88 0.00 -1.46 0.00 0.00 42.92 39.84 2vyr s ASP 67 CO 0.52 -0.44 1.85 1.56 0.52 0.00 0.00 175.17 179.18 2vyr h GLN 68 N 7.76 0.61 -0.01 4.34 1.08 -1.95 -0.24 115.11 126.69 2vyr h GLN 68 Ca -0.25 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 2vyr h GLN 68 Cb 1.11 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 2vyr h GLN 68 CO 0.82 0.40 -0.30 1.04 -0.95 0.00 0.00 178.83 179.84 2vyr n GLN 69 N -4.57 0.81 -3.01 1.46 1.13 -1.26 -4.44 117.38 107.50 2vyr n GLN 69 Ca 0.19 -0.51 -0.14 0.00 -1.94 0.00 0.00 57.00 54.60 2vyr n GLN 69 Cb 0.54 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.38 2vyr n GLN 69 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2vyr n GLU 70 N -0.65 0.48 0.15 -1.09 2.13 -0.19 -5.04 120.64 116.42 2vyr n GLU 70 Ca 0.11 -2.49 0.12 0.00 0.66 0.00 0.00 57.16 55.56 2vyr n GLU 70 Cb 0.36 -1.51 0.53 0.00 0.27 0.00 0.00 31.44 31.09 2vyr n GLU 70 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2vyr h GLN 71 N 4.94 0.00 0.00 5.31 4.20 -1.52 -1.09 115.11 126.95 2vyr h GLN 71 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2vyr h GLN 71 Cb 1.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.79 2vyr h GLN 71 CO 0.22 0.00 -0.07 0.72 -0.67 0.00 0.00 178.83 179.03 2vyr n HIS 72 N -2.32 0.71 -3.32 2.96 8.25 -1.26 -4.65 115.22 115.58 2vyr n HIS 72 Ca 0.02 0.21 -0.38 0.00 -0.26 0.00 0.00 57.72 57.30 2vyr n HIS 72 Cb 0.21 -0.82 -0.07 0.00 1.12 0.00 0.00 29.99 30.44 2vyr n HIS 72 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2vyr s MET 73 N -3.09 4.25 -0.16 -0.41 -1.94 -0.41 -1.17 119.30 116.36 2vyr s MET 73 Ca 0.11 0.36 -0.01 0.00 -1.71 0.00 0.00 55.69 54.44 2vyr s MET 73 Cb 0.14 -3.50 -0.01 0.00 2.01 0.00 0.00 34.83 33.47 2vyr s MET 73 CO 0.60 0.02 -0.11 0.08 -0.01 0.00 0.00 175.02 175.60 2vyr s VAL 74 N 1.09 3.01 -0.52 -6.03 1.01 0.09 -1.90 120.40 117.15 2vyr s VAL 74 Ca 0.23 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 2vyr s VAL 74 Cb -0.15 -2.30 0.13 0.00 0.00 0.00 0.00 36.38 34.07 2vyr s VAL 74 CO 0.09 0.50 0.40 -0.31 0.00 0.00 0.00 175.10 175.78 2vyr s TYR 75 N 0.83 3.44 -1.71 5.22 1.51 0.96 -1.27 117.35 126.33 2vyr s TYR 75 Ca -0.04 -1.92 0.16 0.00 -1.01 0.00 0.00 57.07 54.25 2vyr s TYR 75 Cb -0.15 -3.52 0.25 0.00 -0.11 0.00 0.00 41.96 38.43 2vyr s TYR 75 CO 0.01 -0.98 1.15 0.00 -1.11 0.00 0.00 175.55 174.61 2vyr n GLY 77 N 0.91 0.61 2.37 0.00 0.00 -0.10 -1.48 105.19 107.50 2vyr n GLY 77 Ca 0.12 0.55 -0.03 0.00 0.00 0.00 0.00 46.02 46.66 2vyr n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vyr n GLY 78 N 2.33 0.56 3.45 -0.02 0.00 -1.26 -4.97 105.19 105.29 2vyr n GLY 78 Ca 0.14 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 2vyr n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vyr s ASP 79 N -2.31 3.61 0.28 1.61 2.15 -0.55 -5.02 116.67 116.44 2vyr s ASP 79 Ca 0.00 -0.79 -0.05 0.00 0.43 0.00 0.00 52.55 52.14 2vyr s ASP 79 Cb 0.00 -0.36 0.55 0.00 -0.30 0.00 0.00 42.92 42.81 2vyr s ASP 79 CO 0.00 0.12 1.57 -0.07 -0.17 0.00 0.00 175.17 176.63 2vyr h LEU 80 N 3.22 -0.73 -0.55 -1.34 3.38 -1.95 0.21 115.31 117.55 2vyr h LEU 80 Ca -0.47 0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.80 2vyr h LEU 80 Cb 1.20 0.55 -0.03 0.00 0.09 0.00 0.00 40.66 42.47 2vyr h LEU 80 CO 0.48 -0.33 0.35 0.25 0.09 0.00 0.00 178.44 179.29 2vyr h LEU 81 N 0.01 0.59 -0.63 1.67 5.85 -1.96 0.85 115.31 121.69 2vyr h LEU 81 Ca 0.51 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.22 2vyr h LEU 81 Cb 0.89 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2vyr h LEU 81 CO -0.95 0.42 0.38 1.23 -0.34 0.00 0.00 178.44 179.17 2vyr h GLY 82 N 0.70 0.91 1.50 3.75 0.00 -0.67 -0.33 103.07 108.94 2vyr h GLY 82 Ca 0.21 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 2vyr h GLY 82 CO -0.07 0.37 -0.17 0.83 0.00 0.00 0.00 176.54 177.50 2vyr h GLU 83 N 0.85 0.59 -0.31 4.80 5.08 -0.69 0.47 114.58 125.38 2vyr h GLU 83 Ca 0.22 -0.20 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 2vyr h GLU 83 Cb -0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2vyr h GLU 83 CO -0.04 0.73 -0.41 1.25 -1.00 0.00 0.00 179.01 179.54 2vyr h LEU 84 N 0.53 0.82 0.00 1.33 5.85 -0.39 -3.08 115.31 120.37 2vyr h LEU 84 Ca 0.09 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2vyr h LEU 84 Cb 0.60 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2vyr h LEU 84 CO 0.04 1.12 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.81 2vyr h LEU 85 N 0.62 0.00 -1.74 2.25 3.38 -0.72 -3.48 115.31 115.63 2vyr h LEU 85 Ca 0.05 -0.05 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2vyr h LEU 85 Cb 0.97 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.88 2vyr h LEU 85 CO 0.09 0.02 -0.73 0.61 0.09 0.00 0.00 178.44 178.52 2vyr n GLY 86 N 1.22 -0.38 3.69 0.83 0.00 0.16 -5.02 105.19 105.69 2vyr n GLY 86 Ca 0.03 0.11 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 2vyr n GLY 86 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2vyr s ARG 87 N -5.20 1.35 0.02 1.61 1.70 -0.75 -5.04 118.95 112.64 2vyr s ARG 87 Ca 0.04 -0.68 0.16 0.00 -0.47 0.00 0.00 55.73 54.78 2vyr s ARG 87 Cb -0.00 0.50 -0.17 0.00 -0.57 0.00 0.00 34.95 34.71 2vyr s ARG 87 CO 0.69 -0.61 0.74 1.04 -1.08 0.00 0.00 175.30 176.08 2vyr n GLN 88 N -0.42 0.63 -3.45 3.89 1.13 -1.26 -4.07 117.38 113.83 2vyr n GLN 88 Ca -0.08 0.22 -0.11 0.00 -1.94 0.00 0.00 57.00 55.09 2vyr n GLN 88 Cb 0.61 -1.79 -0.02 0.00 0.11 0.00 0.00 30.24 29.15 2vyr n GLN 88 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2vyr s SER 89 N -5.81 -0.51 0.13 1.08 1.04 -1.26 -0.86 113.70 107.51 2vyr s SER 89 Ca -0.04 0.02 -0.24 0.00 0.48 0.00 0.00 55.95 56.17 2vyr s SER 89 Cb 0.08 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.81 2vyr s SER 89 CO 0.82 -0.85 0.67 0.72 0.98 0.00 0.00 173.24 175.58 2vyr s PHE 90 N -3.47 -0.48 -0.17 5.02 -0.12 -0.40 -4.96 117.98 113.39 2vyr s PHE 90 Ca 0.02 0.28 -0.09 0.00 -0.05 0.00 0.00 56.93 57.09 2vyr s PHE 90 Cb -0.01 0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 42.90 2vyr s PHE 90 CO -0.11 -0.80 0.11 0.45 -0.05 0.00 0.00 175.22 174.82 2vyr s SER 91 N -2.70 6.11 0.00 1.98 0.15 -1.26 -0.73 113.70 117.25 2vyr s SER 91 Ca 0.02 0.26 0.13 0.00 0.70 0.00 0.00 55.95 57.06 2vyr s SER 91 Cb -0.01 -2.04 0.79 0.00 -1.71 0.00 0.00 66.02 63.05 2vyr s SER 91 CO -0.11 0.24 1.28 1.33 1.20 0.00 0.00 173.24 177.17 2vyr n VAL 92 N 3.11 0.00 0.37 4.45 0.24 -0.32 -0.87 118.33 125.31 2vyr n VAL 92 Ca -0.17 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.25 2vyr n VAL 92 Cb 0.53 -0.49 0.14 0.00 -1.47 0.00 0.00 33.84 32.55 2vyr n VAL 92 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2vyr h LYS 93 N 0.00 0.00 -3.80 7.34 1.57 -1.93 -3.41 116.57 116.33 2vyr h LYS 93 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 2vyr h LYS 93 Cb 0.00 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 31.92 2vyr h LYS 93 CO 0.00 0.00 -0.57 0.34 -0.57 0.00 0.00 179.45 178.65 2vyr s ASP 94 N -4.94 4.73 0.00 0.86 3.68 -0.05 -4.97 116.67 115.98 2vyr s ASP 94 Ca 0.05 -2.71 0.16 0.00 2.13 0.00 0.00 52.55 52.18 2vyr s ASP 94 Cb 0.11 -1.71 0.96 0.00 -1.45 0.00 0.00 42.92 40.83 2vyr s ASP 94 CO 0.72 -0.33 1.47 -2.65 0.13 0.00 0.00 175.17 174.52 2vyr n PRO 95 N 3.57 0.78 -0.23 4.34 -0.02 -1.26 -4.00 135.00 138.17 2vyr n PRO 95 Ca 0.05 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.52 2vyr n PRO 95 Cb 0.36 -1.33 0.21 0.00 -0.02 0.00 0.00 33.50 32.73 2vyr n PRO 95 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2vyr h SER 96 N 0.00 0.91 -0.64 2.55 4.64 -1.93 0.03 113.55 119.11 2vyr h SER 96 Ca 0.00 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 2vyr h SER 96 Cb 0.00 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 2vyr h SER 96 CO 0.00 0.69 0.23 -0.65 -0.87 0.00 0.00 176.83 176.23 2vyr h PRO 97 N 1.05 1.01 -0.39 4.77 0.11 -1.96 -2.93 132.00 133.67 2vyr h PRO 97 Ca 0.28 -0.19 -0.15 0.00 0.11 0.00 0.00 66.00 66.04 2vyr h PRO 97 Cb -0.06 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.89 2vyr h PRO 97 CO -0.05 0.86 -0.37 -0.07 -0.21 0.00 0.00 178.00 178.16 2vyr h LEU 98 N 0.98 0.97 -0.43 2.35 3.38 -1.54 -2.73 115.31 118.30 2vyr h LEU 98 Ca 0.22 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2vyr h LEU 98 Cb 0.25 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 2vyr h LEU 98 CO -0.01 1.22 0.15 1.88 0.09 0.00 0.00 178.44 181.77 2vyr h TYR 99 N 0.75 0.27 -0.11 1.13 0.99 -0.91 0.50 116.97 119.59 2vyr h TYR 99 Ca 0.07 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.83 2vyr h TYR 99 Cb 0.95 -0.06 -0.02 0.00 1.00 0.00 0.00 36.73 38.61 2vyr h TYR 99 CO 0.06 0.10 0.01 -0.44 -0.00 0.00 0.00 178.16 177.88 2vyr h ASP 100 N 0.32 -0.03 -0.55 3.88 3.45 -1.40 -0.92 116.42 121.17 2vyr h ASP 100 Ca 0.20 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.67 2vyr h ASP 100 Cb 0.19 0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 38.97 2vyr h ASP 100 CO -0.21 0.00 0.31 -0.03 -1.57 0.00 0.00 179.24 177.74 2vyr h MET 101 N 0.05 0.77 -0.14 3.56 4.05 -1.15 -2.41 114.93 119.65 2vyr h MET 101 Ca 0.05 -0.09 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2vyr h MET 101 Cb 0.06 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 2vyr h MET 101 CO -0.08 0.59 0.03 -0.07 0.23 0.00 0.00 176.91 177.61 2vyr h LEU 102 N 0.74 0.02 -0.67 3.39 3.38 -0.58 -0.94 115.31 120.66 2vyr h LEU 102 Ca 0.19 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.28 2vyr h LEU 102 Cb 0.04 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 2vyr h LEU 102 CO -0.03 0.04 0.29 -0.09 0.09 0.00 0.00 178.44 178.74 2vyr h ARG 103 N 0.10 0.49 0.00 1.13 2.43 -0.98 -0.77 114.38 116.78 2vyr h ARG 103 Ca 0.06 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2vyr h ARG 103 Cb 0.05 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2vyr h ARG 103 CO -0.07 0.32 -0.01 0.87 -1.51 0.00 0.00 179.97 179.56 2vyr h LYS 104 N 0.50 0.00 -0.00 0.20 1.57 -1.12 -3.35 116.57 114.37 2vyr h LYS 104 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2vyr h LYS 104 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2vyr h LYS 104 CO -0.29 0.00 -0.07 0.09 -0.57 0.00 0.00 179.45 178.61 2vyr n ASN 105 N -2.41 0.75 -4.36 0.86 3.02 -0.38 -4.91 115.26 107.83 2vyr n ASN 105 Ca 0.05 -0.88 -0.34 0.00 -0.03 0.00 0.00 54.58 53.38 2vyr n ASN 105 Cb 0.45 0.47 -0.14 0.00 -0.61 0.00 0.00 39.78 39.95 2vyr n ASN 105 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2vyr s LEU 106 N -1.15 2.89 -0.30 3.41 1.43 -0.35 0.42 118.68 125.03 2vyr s LEU 106 Ca 0.03 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.70 2vyr s LEU 106 Cb 0.03 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 2vyr s LEU 106 CO 0.08 0.07 0.13 -0.69 0.23 0.00 0.00 176.35 176.17 2vyr s VAL 107 N 0.96 4.50 0.22 -1.59 1.01 -0.74 -4.89 120.40 119.88 2vyr s VAL 107 Ca -0.01 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 2vyr s VAL 107 Cb -0.15 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 2vyr s VAL 107 CO 0.00 0.13 1.39 0.42 0.00 0.00 0.00 175.10 177.04 2vyr s THR 108 N 1.61 2.91 -0.15 3.92 -4.23 -1.26 -0.33 115.64 118.11 2vyr s THR 108 Ca 0.05 0.75 -0.27 0.00 -1.18 0.00 0.00 61.69 61.04 2vyr s THR 108 Cb -0.17 -3.48 -0.01 0.00 1.34 0.00 0.00 72.50 70.18 2vyr s THR 108 CO 0.05 0.11 0.90 -0.76 -0.54 0.00 0.00 174.62 174.38 2vyr s LEU 109 N -0.10 4.20 0.00 4.79 1.43 -0.79 -4.90 118.68 123.31 2vyr s LEU 109 Ca 0.59 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 2vyr s LEU 109 Cb -0.40 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.47 2vyr s LEU 109 CO 0.40 -0.42 0.00 0.00 0.23 0.00 0.00 176.35 176.56