#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ylm s PHE 3 N 0.00 3.71 -0.08 -0.72 0.40 -1.26 -4.34 117.98 115.70 1ylm s PHE 3 Ca 0.00 -2.83 -0.02 0.00 -0.60 0.00 0.00 56.93 53.48 1ylm s PHE 3 Cb 0.00 -3.00 -0.03 0.00 0.51 0.00 0.00 43.02 40.50 1ylm s PHE 3 CO 0.00 -0.96 -0.01 0.08 0.70 0.00 0.00 175.22 175.04 1ylm s VAL 4 N 0.97 4.25 -1.46 -0.44 1.01 -0.90 -4.52 120.40 119.31 1ylm s VAL 4 Ca 0.10 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 1ylm s VAL 4 Cb -0.20 -2.78 0.04 0.00 0.00 0.00 0.00 36.38 33.43 1ylm s VAL 4 CO -0.07 0.60 2.25 -0.67 0.00 0.00 0.00 175.10 177.22 1ylm n ASP 5 N 2.14 4.02 -0.00 3.32 -0.08 -1.26 -4.71 116.55 119.99 1ylm n ASP 5 Ca -0.19 -2.83 -0.06 0.00 -1.51 0.00 0.00 54.79 50.21 1ylm n ASP 5 Cb 0.54 -1.66 0.14 0.00 2.34 0.00 0.00 41.12 42.48 1ylm n ASP 5 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1ylm h ARG 6 N 5.97 0.53 -0.55 -0.67 2.43 -1.95 -1.57 114.38 118.58 1ylm h ARG 6 Ca 0.58 -0.24 -0.08 0.00 -0.81 0.00 0.00 59.98 59.43 1ylm h ARG 6 Cb 0.63 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1ylm h ARG 6 CO 1.89 0.80 0.03 0.66 -1.51 0.00 0.00 179.97 181.83 1ylm h SER 7 N 0.45 0.92 -0.15 -3.80 4.64 -1.98 0.93 113.55 114.56 1ylm h SER 7 Ca 0.05 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1ylm h SER 7 Cb 0.80 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1ylm h SER 7 CO 0.07 0.99 0.05 0.50 -0.87 0.00 0.00 176.83 177.57 1ylm h LYS 8 N 0.83 0.23 0.08 4.77 3.64 -1.91 -1.93 116.57 122.28 1ylm h LYS 8 Ca 0.16 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1ylm h LYS 8 Cb 0.50 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1ylm h LYS 8 CO 0.02 0.34 -0.14 0.82 -2.27 0.00 0.00 179.45 178.22 1ylm h ILE 9 N 0.07 0.67 -0.73 2.00 2.04 -1.18 0.13 117.51 120.51 1ylm h ILE 9 Ca 0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1ylm h ILE 9 Cb 0.20 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1ylm h ILE 9 CO -0.00 0.00 0.35 -0.33 0.00 0.00 0.00 178.15 178.17 1ylm h GLU 10 N -0.28 1.05 -0.26 2.37 5.08 -0.78 0.11 114.58 121.88 1ylm h GLU 10 Ca 0.02 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 1ylm h GLU 10 Cb 0.30 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1ylm h GLU 10 CO -0.08 0.82 -0.26 0.87 -1.00 0.00 0.00 179.01 179.36 1ylm h LYS 11 N 1.02 0.50 -0.43 2.33 1.57 -1.25 -1.74 116.57 118.58 1ylm h LYS 11 Ca 0.25 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 1ylm h LYS 11 Cb 0.12 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1ylm h LYS 11 CO -0.03 0.72 -0.15 1.15 -0.57 0.00 0.00 179.45 180.57 1ylm h THR 12 N 0.44 1.28 -0.64 -0.16 2.02 -0.09 -2.08 112.91 113.67 1ylm h THR 12 Ca 0.06 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.97 1ylm h THR 12 Cb 0.69 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.28 1ylm h THR 12 CO 0.05 0.43 0.41 -0.07 0.37 0.00 0.00 175.52 176.71 1ylm h LEU 13 N 0.68 0.76 -0.37 2.58 3.38 -0.60 -0.49 115.31 121.24 1ylm h LEU 13 Ca 0.10 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1ylm h LEU 13 Cb 0.70 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1ylm h LEU 13 CO 0.05 0.57 0.13 1.23 0.09 0.00 0.00 178.44 180.52 1ylm h GLY 14 N 0.87 0.47 0.94 0.83 0.00 -1.18 0.67 103.07 105.68 1ylm h GLY 14 Ca 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1ylm h GLY 14 CO -0.05 0.03 0.16 -2.75 0.00 0.00 0.00 176.54 173.94 1ylm h PHE 15 N 0.29 0.52 -0.32 5.60 3.57 -1.18 -1.61 116.94 123.81 1ylm h PHE 15 Ca 0.17 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1ylm h PHE 15 Cb 0.14 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.66 1ylm h PHE 15 CO -0.14 0.46 -0.06 0.35 -2.23 0.00 0.00 178.31 176.68 1ylm h PHE 16 N 0.44 -0.13 -0.41 0.41 3.57 -0.65 -1.94 116.94 118.22 1ylm h PHE 16 Ca 0.12 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 1ylm h PHE 16 Cb 0.14 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1ylm h PHE 16 CO -0.01 -0.12 0.06 0.93 -2.23 0.00 0.00 178.31 176.94 1ylm h GLU 17 N 0.02 0.62 -0.35 1.11 5.08 -0.64 -1.03 114.58 119.39 1ylm h GLU 17 Ca 0.16 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1ylm h GLU 17 Cb 0.23 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1ylm h GLU 17 CO -0.32 0.60 0.16 1.25 -1.00 0.00 0.00 179.01 179.70 1ylm h HIS 18 N 0.60 0.51 -0.43 4.33 2.76 -0.78 -0.86 115.15 121.29 1ylm h HIS 18 Ca 0.13 -0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.15 1ylm h HIS 18 Cb 0.29 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 1ylm h HIS 18 CO 0.01 0.46 -0.19 1.96 -1.30 0.00 0.00 177.93 178.87 1ylm h GLN 19 N 0.42 0.89 -0.80 5.26 1.08 -0.96 -2.20 115.11 118.80 1ylm h GLN 19 Ca 0.12 -0.38 0.02 0.00 -1.45 0.00 0.00 58.65 56.96 1ylm h GLN 19 Cb 0.15 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.50 1ylm h GLN 19 CO -0.01 1.03 0.52 1.25 -0.95 0.00 0.00 178.83 180.67 1ylm h LEU 20 N 0.72 0.87 -1.52 1.46 5.85 -1.10 -1.89 115.31 119.70 1ylm h LEU 20 Ca 0.10 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1ylm h LEU 20 Cb 0.75 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1ylm h LEU 20 CO 0.06 0.61 -0.17 0.00 -0.34 0.00 0.00 178.44 178.60 1ylm h ALA 21 N 1.32 1.60 -0.01 1.25 0.00 -0.97 -1.91 119.26 120.55 1ylm h ALA 21 Ca 0.31 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1ylm h ALA 21 Cb -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ylm h ALA 21 CO -0.09 0.29 -0.56 -0.07 0.00 0.00 0.00 179.25 178.82 1ylm h LEU 22 N 0.09 0.02 0.14 0.00 3.38 -0.75 -3.21 115.31 114.97 1ylm h LEU 22 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1ylm h LEU 22 Cb 0.36 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ylm h LEU 22 CO 0.02 0.57 -0.07 0.15 0.09 0.00 0.00 178.44 179.21 1ylm h PHE 23 N 0.01 -0.18 0.00 1.13 3.57 -0.62 -3.26 116.94 117.60 1ylm h PHE 23 Ca -0.01 -0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.13 1ylm h PHE 23 Cb 0.99 0.06 0.02 0.00 2.79 0.00 0.00 35.95 39.80 1ylm h PHE 23 CO 0.00 0.20 2.50 -3.47 -2.23 0.00 0.00 178.31 175.31 1ylm n ASP 24 N -4.99 4.55 -4.13 0.41 2.03 -0.84 -4.79 116.55 108.79 1ylm n ASP 24 Ca -0.09 -2.31 -0.20 0.00 0.52 0.00 0.00 54.79 52.72 1ylm n ASP 24 Cb 0.24 -1.06 -0.09 0.00 -0.72 0.00 0.00 41.12 39.49 1ylm n ASP 24 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ylm s SER 25 N 3.56 1.77 -1.12 1.67 1.04 -1.23 -4.95 113.70 114.44 1ylm s SER 25 Ca 0.37 -1.52 -0.16 0.00 0.48 0.00 0.00 55.95 55.13 1ylm s SER 25 Cb 0.10 0.30 0.15 0.00 0.10 0.00 0.00 66.02 66.67 1ylm s SER 25 CO -0.03 -0.83 1.35 0.00 0.98 0.00 0.00 173.24 174.72 1ylm s GLN 26 N -3.85 3.91 0.00 4.02 0.00 -1.26 -4.96 119.66 117.52 1ylm s GLN 26 Ca 0.34 -2.24 0.01 0.00 -0.00 0.00 0.00 55.36 53.47 1ylm s GLN 26 Cb 0.06 -5.05 -0.01 0.00 0.00 0.00 0.00 33.01 28.01 1ylm s GLN 26 CO 0.16 -1.81 -0.05 0.99 0.00 0.00 0.00 175.29 174.58 1ylm s THR 27 N 2.18 0.38 -0.78 3.63 2.01 -1.26 -5.10 115.64 116.69 1ylm s THR 27 Ca 0.40 -0.29 -0.22 0.00 0.31 0.00 0.00 61.69 61.89 1ylm s THR 27 Cb -0.03 -0.34 0.08 0.00 0.01 0.00 0.00 72.50 72.22 1ylm s THR 27 CO -0.03 0.05 1.10 -0.62 -0.69 0.00 0.00 174.62 174.43 1ylm s ASP 28 N -0.26 6.33 0.00 3.53 2.15 -1.26 -4.87 116.67 122.29 1ylm s ASP 28 Ca 0.00 -1.27 0.30 0.00 0.43 0.00 0.00 52.55 52.01 1ylm s ASP 28 Cb -0.03 -2.45 1.75 0.00 -0.30 0.00 0.00 42.92 41.90 1ylm s ASP 28 CO -0.00 -1.39 2.12 0.79 -0.17 0.00 0.00 175.17 176.51 1ylm n TRP 29 N 7.71 0.00 0.68 -5.34 7.02 -1.26 -3.31 117.44 122.93 1ylm n TRP 29 Ca 0.09 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.68 1ylm n TRP 29 Cb 0.47 -0.05 0.02 0.00 -2.42 0.00 0.00 31.31 29.34 1ylm n TRP 29 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1ylm n GLN 30 N -1.05 0.22 -1.04 -0.99 6.02 -1.26 -1.89 117.38 117.39 1ylm n GLN 30 Ca 0.21 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.89 1ylm n GLN 30 Cb 0.12 -1.56 0.14 0.00 1.02 0.00 0.00 30.24 29.96 1ylm n GLN 30 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1ylm s SER 31 N -3.67 3.44 0.19 1.08 1.04 -1.21 -4.70 113.70 109.87 1ylm s SER 31 Ca 0.05 1.77 -0.12 0.00 0.48 0.00 0.00 55.95 58.13 1ylm s SER 31 Cb 0.15 -2.40 0.15 0.00 0.10 0.00 0.00 66.02 64.02 1ylm s SER 31 CO 0.80 -2.70 1.82 -0.33 0.98 0.00 0.00 173.24 173.81 1ylm h GLU 32 N -1.59 0.65 -0.32 4.02 4.39 -1.92 0.16 114.58 119.97 1ylm h GLU 32 Ca -0.47 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.08 1ylm h GLU 32 Cb 1.27 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1ylm h GLU 32 CO 0.50 0.43 -0.23 0.82 -1.16 0.00 0.00 179.01 179.36 1ylm h ILE 33 N 0.67 1.29 -0.74 3.13 1.08 -1.93 -3.08 117.51 117.92 1ylm h ILE 33 Ca 0.24 -1.38 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 1ylm h ILE 33 Cb 0.06 1.47 -0.04 0.00 -3.07 0.00 0.00 36.82 35.25 1ylm h ILE 33 CO -0.12 0.45 0.48 1.23 -0.69 0.00 0.00 178.15 179.50 1ylm h GLY 34 N 0.49 1.05 0.80 5.37 0.00 -1.60 -1.29 103.07 107.89 1ylm h GLY 34 Ca 0.06 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 47.03 1ylm h GLY 34 CO 0.06 0.40 0.47 0.83 0.00 0.00 0.00 176.54 178.30 1ylm h GLU 35 N 1.01 0.87 -0.37 4.80 5.08 0.03 -0.52 114.58 125.47 1ylm h GLU 35 Ca 0.27 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1ylm h GLU 35 Cb -0.10 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 1ylm h GLU 35 CO -0.06 0.57 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.21 1ylm h LEU 36 N 0.89 0.86 -0.40 1.33 3.38 -1.32 -2.20 115.31 117.85 1ylm h LEU 36 Ca 0.32 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1ylm h LEU 36 Cb 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ylm h LEU 36 CO -0.14 1.10 0.23 0.00 0.09 0.00 0.00 178.44 179.73 1ylm h ALA 37 N 0.78 0.52 -0.69 1.53 0.00 -0.75 -1.97 119.26 118.68 1ylm h ALA 37 Ca 0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1ylm h ALA 37 Cb 0.81 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1ylm h ALA 37 CO 0.07 0.03 0.22 1.25 0.00 0.00 0.00 179.25 180.82 1ylm h LEU 38 N 0.53 1.00 -0.68 0.00 5.85 -1.00 -0.42 115.31 120.57 1ylm h LEU 38 Ca 0.14 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.73 1ylm h LEU 38 Cb 0.04 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.75 1ylm h LEU 38 CO -0.02 0.94 0.36 1.56 -0.34 0.00 0.00 178.44 180.93 1ylm h GLN 39 N 1.01 0.63 -0.29 1.25 4.20 -1.16 0.14 115.11 120.89 1ylm h GLN 39 Ca 0.22 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 1ylm h GLN 39 Cb 0.29 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1ylm h GLN 39 CO -0.01 0.41 0.12 -0.09 -0.67 0.00 0.00 178.83 178.59 1ylm h ARG 40 N 0.65 0.43 -0.39 1.46 9.65 -0.79 -1.12 114.38 124.27 1ylm h ARG 40 Ca 0.32 -0.08 0.04 0.00 -1.10 0.00 0.00 59.98 59.17 1ylm h ARG 40 Cb 0.26 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.73 1ylm h ARG 40 CO -0.22 0.45 0.14 0.82 2.80 0.00 0.00 179.97 183.96 1ylm h ILE 41 N 0.32 0.89 -0.34 1.20 2.04 -0.57 0.89 117.51 121.94 1ylm h ILE 41 Ca 0.10 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1ylm h ILE 41 Cb 0.18 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1ylm h ILE 41 CO -0.01 0.06 0.22 1.23 0.00 0.00 0.00 178.15 179.65 1ylm h GLY 42 N 0.30 0.48 0.70 5.37 0.00 -0.49 0.70 103.07 110.14 1ylm h GLY 42 Ca 0.18 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.34 1ylm h GLY 42 CO -0.18 0.18 -0.11 0.84 0.00 0.00 0.00 176.54 177.27 1ylm h HIS 43 N 0.46 -0.28 -0.58 5.60 -0.00 -0.93 -1.82 115.15 117.60 1ylm h HIS 43 Ca 0.13 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.53 1ylm h HIS 43 Cb -0.04 0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.46 1ylm h HIS 43 CO -0.05 -0.17 0.35 -0.07 -0.00 0.00 0.00 177.93 177.99 1ylm h LEU 44 N -0.18 0.56 -0.37 0.26 3.38 -0.46 -0.42 115.31 118.07 1ylm h LEU 44 Ca 0.05 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ylm h LEU 44 Cb 0.24 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1ylm h LEU 44 CO -0.12 0.39 0.22 -0.07 0.09 0.00 0.00 178.44 178.95 1ylm h LEU 45 N 0.68 0.45 -0.24 1.67 3.38 -0.71 -0.72 115.31 119.82 1ylm h LEU 45 Ca 0.24 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1ylm h LEU 45 Cb 0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ylm h LEU 45 CO -0.11 0.38 0.12 0.40 0.09 0.00 0.00 178.44 179.32 1ylm h ILE 46 N 0.48 1.13 -0.71 1.22 2.04 -0.99 -2.31 117.51 118.38 1ylm h ILE 46 Ca 0.13 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 1ylm h ILE 46 Cb 0.02 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1ylm h ILE 46 CO -0.02 0.13 0.15 -0.33 0.00 0.00 0.00 178.15 178.08 1ylm h GLU 47 N 0.26 1.14 -0.77 2.37 4.39 -0.88 -1.65 114.58 119.44 1ylm h GLU 47 Ca 0.08 -0.28 0.05 0.00 0.34 0.00 0.00 59.36 59.55 1ylm h GLU 47 Cb 0.10 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 1ylm h GLU 47 CO -0.01 1.01 0.47 0.00 -1.16 0.00 0.00 179.01 179.32 1ylm h ILE 49 N 0.88 1.22 -0.38 0.00 2.04 -0.98 -1.58 117.51 118.71 1ylm h ILE 49 Ca 0.33 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 1ylm h ILE 49 Cb 0.12 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1ylm h ILE 49 CO -0.15 0.20 0.05 -0.07 0.00 0.00 0.00 178.15 178.18 1ylm h LEU 50 N -0.04 0.61 -0.30 1.44 3.38 -1.07 0.47 115.31 119.79 1ylm h LEU 50 Ca 0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1ylm h LEU 50 Cb 0.29 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1ylm h LEU 50 CO 0.00 0.72 0.04 0.44 0.09 0.00 0.00 178.44 179.73 1ylm h ASP 51 N 0.47 0.49 -0.36 -0.43 3.32 -0.98 0.16 116.42 119.08 1ylm h ASP 51 Ca 0.11 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1ylm h ASP 51 Cb 0.38 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1ylm h ASP 51 CO 0.01 0.64 0.19 0.74 -1.72 0.00 0.00 179.24 179.09 1ylm h THR 52 N 0.32 1.15 -0.12 0.35 2.02 -1.23 0.80 112.91 116.20 1ylm h THR 52 Ca 0.09 -0.42 0.05 0.00 0.77 0.00 0.00 66.41 66.89 1ylm h THR 52 Cb 0.36 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 1ylm h THR 52 CO 0.01 0.16 -0.31 1.23 0.37 0.00 0.00 175.52 176.98 1ylm h GLY 53 N 0.46 -0.42 0.39 2.16 0.00 -0.68 -2.37 103.07 102.61 1ylm h GLY 53 Ca 0.13 0.38 0.11 0.00 0.00 0.00 0.00 47.33 47.94 1ylm h GLY 53 CO -0.02 -0.22 0.34 3.43 0.00 0.00 0.00 176.54 180.07 1ylm h ASN 54 N -0.39 0.42 0.00 0.19 -0.26 -0.45 -0.30 115.58 114.78 1ylm h ASN 54 Ca 0.09 0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1ylm h ASN 54 Cb 0.53 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 1ylm h ASN 54 CO -0.34 0.22 0.00 0.47 -1.06 0.00 0.00 177.43 176.72 1ylm n ASP 55 N -4.90 0.74 0.00 5.81 8.00 0.25 -1.20 116.55 125.25 1ylm n ASP 55 Ca 0.12 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.99 1ylm n ASP 55 Cb 0.31 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1ylm n ASP 55 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ylm n ILE 57 N 0.68 0.00 -0.04 0.53 5.41 -0.13 -0.86 119.36 124.95 1ylm n ILE 57 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 1ylm n ILE 57 Cb 0.13 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.99 1ylm n ILE 57 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1ylm h ASP 58 N 0.00 0.27 -0.48 4.38 3.32 -1.41 -2.11 116.42 120.38 1ylm h ASP 58 Ca 0.00 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 56.59 1ylm h ASP 58 Cb 0.00 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1ylm h ASP 58 CO 0.00 0.64 0.16 1.23 -1.72 0.00 0.00 179.24 179.54 1ylm h GLY 59 N -0.10 0.80 -1.88 2.75 0.00 -1.23 -3.07 103.07 100.34 1ylm h GLY 59 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1ylm h GLY 59 CO 0.02 0.44 0.00 0.69 0.00 0.00 0.00 176.54 177.69 1ylm n PHE 60 N -4.52 0.64 -2.71 5.60 3.01 -1.24 -3.99 117.46 114.24 1ylm n PHE 60 Ca 0.01 -0.32 -0.03 0.00 1.01 0.00 0.00 57.45 58.12 1ylm n PHE 60 Cb 0.19 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.63 1ylm n PHE 60 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1ylm n ILE 61 N 1.03 -8.49 -2.61 4.37 5.41 -0.79 -5.02 119.36 113.26 1ylm n ILE 61 Ca 0.18 1.79 -0.40 0.00 1.00 0.00 0.00 62.75 65.32 1ylm n ILE 61 Cb 0.45 -4.96 -0.05 0.00 -0.71 0.00 0.00 39.64 34.38 1ylm n ILE 61 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1ylm s ARG 63 N -0.41 4.72 -0.10 0.38 3.52 -1.26 -5.05 118.95 120.76 1ylm s ARG 63 Ca -0.16 1.65 -0.30 0.00 -0.13 0.00 0.00 55.73 56.79 1ylm s ARG 63 Cb 0.01 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 30.12 1ylm s ARG 63 CO 0.43 0.31 1.34 0.34 -0.81 0.00 0.00 175.30 176.92 1ylm s ASP 64 N -0.83 6.90 0.43 -2.12 -1.08 -1.26 -5.00 116.67 113.71 1ylm s ASP 64 Ca 0.44 1.88 -0.22 0.00 -0.52 0.00 0.00 52.55 54.13 1ylm s ASP 64 Cb -0.29 -2.54 -0.10 0.00 -1.46 0.00 0.00 42.92 38.53 1ylm s ASP 64 CO 0.36 -0.75 1.00 -2.16 0.52 0.00 0.00 175.17 174.13 1ylm s PRO 65 N 3.16 4.12 0.00 4.34 0.04 -1.26 -4.94 135.00 140.45 1ylm s PRO 65 Ca 0.60 1.29 0.05 0.00 0.04 0.00 0.00 61.00 62.98 1ylm s PRO 65 Cb -0.26 -2.29 0.10 0.00 0.04 0.00 0.00 34.50 32.09 1ylm s PRO 65 CO 0.21 -0.15 0.90 0.41 0.04 0.00 0.00 177.00 178.41 1ylm n GLY 66 N -0.20 1.01 3.32 0.56 0.00 -1.26 -5.03 105.19 103.59 1ylm n GLY 66 Ca 0.07 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1ylm n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ylm s SER 67 N -0.73 -0.25 0.18 1.61 1.04 -1.26 -4.99 113.70 109.30 1ylm s SER 67 Ca 0.09 -0.29 -0.07 0.00 0.48 0.00 0.00 55.95 56.15 1ylm s SER 67 Cb 0.05 0.48 0.08 0.00 0.10 0.00 0.00 66.02 66.73 1ylm s SER 67 CO 0.07 -0.85 1.57 1.88 0.98 0.00 0.00 173.24 176.88 1ylm h TYR 68 N 2.36 1.01 -0.70 5.02 0.99 -2.00 -2.35 116.97 121.31 1ylm h TYR 68 Ca -0.34 -0.25 0.07 0.00 2.00 0.00 0.00 58.73 60.20 1ylm h TYR 68 Cb 1.26 -0.23 -0.04 0.00 1.00 0.00 0.00 36.73 38.71 1ylm h TYR 68 CO 0.32 1.04 0.46 -0.44 -0.00 0.00 0.00 178.16 179.54 1ylm h ASP 69 N 0.75 0.61 -0.24 3.88 5.19 -1.98 -0.81 116.42 123.83 1ylm h ASP 69 Ca 0.09 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.41 1ylm h ASP 69 Cb 0.82 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.19 1ylm h ASP 69 CO 0.07 0.39 -0.15 -0.78 -3.12 0.00 0.00 179.24 175.65 1ylm h ASP 70 N 0.70 0.65 0.00 6.45 1.82 -1.82 -1.70 116.42 122.52 1ylm h ASP 70 Ca 0.30 -0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1ylm h ASP 70 Cb 0.29 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.13 1ylm h ASP 70 CO -0.10 0.82 0.00 -0.38 -1.61 0.00 0.00 179.24 177.98 1ylm n ILE 71 N -4.16 0.00 0.00 2.25 5.41 -0.31 -0.33 119.36 122.23 1ylm n ILE 71 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1ylm n ILE 71 Cb 0.37 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 39.06 1ylm n ILE 71 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1ylm n ASP 73 N 0.02 0.00 -0.09 4.38 8.00 -0.64 -1.40 116.55 126.82 1ylm n ASP 73 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1ylm n ASP 73 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1ylm n ASP 73 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ylm h ILE 74 N 0.00 1.28 -0.99 0.53 2.04 -0.95 0.61 117.51 120.04 1ylm h ILE 74 Ca 0.00 -1.07 0.08 0.00 1.00 0.00 0.00 64.86 64.87 1ylm h ILE 74 Cb 0.00 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.46 1ylm h ILE 74 CO 0.00 0.34 0.63 -0.07 0.00 0.00 0.00 178.15 179.04 1ylm h LEU 75 N 0.25 0.97 -0.12 1.44 3.38 -1.48 0.47 115.31 120.23 1ylm h LEU 75 Ca 0.07 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ylm h LEU 75 Cb 0.53 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1ylm h LEU 75 CO 0.03 0.58 0.06 0.58 0.09 0.00 0.00 178.44 179.77 1ylm h VAL 76 N 1.08 1.12 -0.98 1.22 2.07 -1.72 -0.69 116.25 118.34 1ylm h VAL 76 Ca 0.45 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.70 1ylm h VAL 76 Cb 0.28 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1ylm h VAL 76 CO -0.21 0.11 0.63 0.44 0.02 0.00 0.00 177.57 178.56 1ylm h ASP 77 N 0.06 0.97 -0.06 0.57 3.32 -0.04 -1.34 116.42 119.89 1ylm h ASP 77 Ca 0.04 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1ylm h ASP 77 Cb 0.12 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1ylm h ASP 77 CO -0.00 0.58 0.00 -0.62 -1.72 0.00 0.00 179.24 177.48 1ylm n GLU 78 N -4.54 1.31 -2.71 3.56 -0.58 0.08 -4.92 120.64 112.84 1ylm n GLU 78 Ca 0.16 -0.47 -0.16 0.00 -0.42 0.00 0.00 57.16 56.27 1ylm n GLU 78 Cb 0.25 -1.36 0.02 0.00 -0.57 0.00 0.00 31.44 29.78 1ylm n GLU 78 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ylm n LYS 79 N -0.33 -3.12 -0.00 3.49 4.76 -0.51 -4.93 118.16 117.51 1ylm n LYS 79 Ca 0.16 0.69 -0.19 0.00 -2.87 0.00 0.00 58.31 56.09 1ylm n LYS 79 Cb 0.18 -5.05 -0.14 0.00 -1.84 0.00 0.00 35.03 28.19 1ylm n LYS 79 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1ylm h VAL 80 N -0.81 1.37 -2.64 -0.18 2.07 -1.35 -3.47 116.25 111.23 1ylm h VAL 80 Ca -0.39 -2.43 -0.50 0.00 0.82 0.00 0.00 66.70 64.21 1ylm h VAL 80 Cb 1.27 3.01 -0.14 0.00 -1.52 0.00 0.00 31.29 33.91 1ylm h VAL 80 CO 0.42 0.65 -0.72 0.68 0.02 0.00 0.00 177.57 178.63 1ylm s VAL 81 N -2.39 1.85 0.73 2.57 -7.23 -1.23 -4.67 120.40 110.02 1ylm s VAL 81 Ca -0.18 -2.22 -0.12 0.00 -1.81 0.00 0.00 61.98 57.65 1ylm s VAL 81 Cb 0.02 -2.25 0.03 0.00 0.56 0.00 0.00 36.38 34.74 1ylm s VAL 81 CO 0.76 -0.44 1.10 0.42 -0.31 0.00 0.00 175.10 176.63 1ylm s THR 82 N -2.89 3.27 0.24 5.32 -4.23 -1.26 -4.46 115.64 111.63 1ylm s THR 82 Ca 0.27 0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 61.21 1ylm s THR 82 Cb 0.00 -2.98 0.20 0.00 1.34 0.00 0.00 72.50 71.06 1ylm s THR 82 CO 0.10 -0.47 1.80 -0.08 -0.54 0.00 0.00 174.62 175.44 1ylm h GLU 83 N -0.65 0.73 -0.41 3.99 4.81 -1.98 0.15 114.58 121.22 1ylm h GLU 83 Ca -0.45 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.66 1ylm h GLU 83 Cb 1.24 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1ylm h GLU 83 CO 0.52 0.48 -0.06 -0.22 -0.73 0.00 0.00 179.01 179.01 1ylm h LYS 84 N 0.75 0.76 -0.61 1.92 3.64 -1.99 -0.97 116.57 120.08 1ylm h LYS 84 Ca 0.38 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1ylm h LYS 84 Cb 0.35 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1ylm h LYS 84 CO -0.25 0.88 0.37 0.93 -2.27 0.00 0.00 179.45 179.12 1ylm h GLU 85 N 0.58 0.72 -0.35 1.90 5.08 -1.81 0.10 114.58 120.80 1ylm h GLU 85 Ca 0.11 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1ylm h GLU 85 Cb 0.57 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 1ylm h GLU 85 CO 0.03 0.48 -0.02 0.78 -1.00 0.00 0.00 179.01 179.28 1ylm h GLY 86 N 0.74 0.33 1.00 -3.84 0.00 -0.76 -0.98 103.07 99.56 1ylm h GLY 86 Ca 0.24 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1ylm h GLY 86 CO -0.10 -0.09 0.35 -0.55 0.00 0.00 0.00 176.54 176.14 1ylm h ASP 87 N 0.07 0.61 -0.53 0.19 3.32 -0.68 -1.73 116.42 117.69 1ylm h ASP 87 Ca 0.17 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1ylm h ASP 87 Cb 0.24 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1ylm h ASP 87 CO -0.30 0.45 0.17 -0.33 -1.72 0.00 0.00 179.24 177.51 1ylm h GLU 88 N 0.72 0.81 -0.29 3.56 5.08 -0.68 -2.78 114.58 120.99 1ylm h GLU 88 Ca 0.19 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1ylm h GLU 88 Cb -0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1ylm h GLU 88 CO -0.04 0.74 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.39 1ylm h LEU 89 N 0.72 0.58 -1.58 1.33 3.38 -1.01 -2.59 115.31 116.14 1ylm h LEU 89 Ca 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1ylm h LEU 89 Cb 0.26 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1ylm h LEU 89 CO -0.01 0.82 0.16 0.11 0.09 0.00 0.00 178.44 179.61 1ylm h LYS 90 N 0.50 0.44 -0.76 1.13 1.57 -1.17 0.18 116.57 118.47 1ylm h LYS 90 Ca 0.07 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1ylm h LYS 90 Cb 0.70 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1ylm h LYS 90 CO 0.05 0.34 0.27 0.87 -0.57 0.00 0.00 179.45 180.41 1ylm h LYS 91 N 0.45 1.15 -0.29 3.15 1.57 -1.19 -0.03 116.57 121.38 1ylm h LYS 91 Ca 0.11 -0.23 -0.14 0.00 -1.87 0.00 0.00 60.65 58.53 1ylm h LYS 91 Cb 0.04 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1ylm h LYS 91 CO -0.02 0.96 -0.36 1.25 -0.57 0.00 0.00 179.45 180.71 1ylm h LEU 92 N 1.11 0.81 -1.87 2.94 5.85 -1.28 -3.15 115.31 119.74 1ylm h LEU 92 Ca 0.25 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1ylm h LEU 92 Cb 0.26 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1ylm h LEU 92 CO -0.01 1.15 -0.09 0.40 -0.34 0.00 0.00 178.44 179.54 1ylm h ILE 93 N 0.50 1.00 0.00 4.05 2.04 -0.73 -0.85 117.51 123.52 1ylm h ILE 93 Ca 0.04 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1ylm h ILE 93 Cb 0.95 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1ylm h ILE 93 CO 0.09 0.09 0.06 0.00 0.00 0.00 0.00 178.15 178.38 1ylm h ALA 94 N 1.91 1.05 -0.01 1.87 0.00 -0.95 -1.29 119.26 121.84 1ylm h ALA 94 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ylm h ALA 94 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ylm h ALA 94 CO 0.01 -0.05 -0.20 0.98 0.00 0.00 0.00 179.25 179.99 1ylm n TYR 95 N -2.68 0.00 -0.19 0.00 9.36 -0.33 -4.34 117.16 118.98 1ylm n TYR 95 Ca -0.02 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.13 1ylm n TYR 95 Cb 0.11 -0.10 0.03 0.00 -0.63 0.00 0.00 39.34 38.74 1ylm n TYR 95 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1ylm h ARG 96 N 1.36 0.76 -1.00 2.98 2.43 -1.38 -1.91 114.38 117.62 1ylm h ARG 96 Ca 0.00 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1ylm h ARG 96 Cb 0.49 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.83 1ylm h ARG 96 CO 0.00 0.56 0.65 -0.22 -1.51 0.00 0.00 179.97 179.45 1ylm h LYS 97 N 0.74 1.21 -0.45 0.20 3.64 -1.80 0.76 116.57 120.88 1ylm h LYS 97 Ca 0.20 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1ylm h LYS 97 Cb 0.01 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.53 1ylm h LYS 97 CO -0.04 0.80 0.10 1.15 -2.27 0.00 0.00 179.45 179.19 1ylm h THR 98 N 1.25 1.24 -0.22 1.00 2.02 -1.71 0.13 112.91 116.60 1ylm h THR 98 Ca 0.40 -0.85 -0.13 0.00 0.77 0.00 0.00 66.41 66.60 1ylm h THR 98 Cb 0.02 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1ylm h THR 98 CO -0.13 0.30 -0.42 -0.07 0.37 0.00 0.00 175.52 175.58 1ylm h LEU 99 N 0.60 0.57 0.00 2.58 3.38 -0.47 -2.50 115.31 119.46 1ylm h LEU 99 Ca 0.14 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 1ylm h LEU 99 Cb 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1ylm h LEU 99 CO 0.00 0.92 -1.95 1.33 0.09 0.00 0.00 178.44 178.83 1ylm n VAL 100 N -4.02 0.55 -0.00 1.22 0.24 0.15 -4.64 118.33 111.82 1ylm n VAL 100 Ca -0.02 -0.54 -0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1ylm n VAL 100 Cb 0.52 -0.23 -0.00 0.00 -1.47 0.00 0.00 33.84 32.65 1ylm n VAL 100 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1ylm n GLN 101 N -2.35 0.01 -2.05 7.34 7.27 0.21 -4.82 117.38 123.00 1ylm n GLN 101 Ca -0.15 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.54 1ylm n GLN 101 Cb 0.74 -0.53 0.03 0.00 2.41 0.00 0.00 30.24 32.89 1ylm n GLN 101 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1ylm n GLN 102 N -3.00 3.03 0.16 3.69 6.02 0.07 -4.80 117.38 122.55 1ylm n GLN 102 Ca -0.01 -3.73 0.13 0.00 -0.01 0.00 0.00 57.00 53.38 1ylm n GLN 102 Cb 0.51 -2.28 0.55 0.00 1.02 0.00 0.00 30.24 30.04 1ylm n GLN 102 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.06 176.15 1ylm h TYR 103 N 3.04 0.00 0.00 1.08 -0.00 -1.70 -0.04 116.97 119.34 1ylm h TYR 103 Ca 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 59.25 1ylm h TYR 103 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.88 1ylm h TYR 103 CO 1.15 0.00 -0.05 -0.07 -0.00 0.00 0.00 178.16 179.19 1ylm h LEU 104 N 0.00 0.00 -0.89 0.10 3.38 -1.87 -2.96 115.31 113.08 1ylm h LEU 104 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ylm h LEU 104 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1ylm h LEU 104 CO 0.00 0.05 -0.40 0.18 0.09 0.00 0.00 178.44 178.36 1ylm n LEU 105 N -3.23 1.78 -4.75 1.67 4.77 -0.03 -4.97 117.00 112.25 1ylm n LEU 105 Ca -0.01 -0.63 -0.42 0.00 -0.03 0.00 0.00 56.01 54.93 1ylm n LEU 105 Cb 0.26 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1ylm n LEU 105 CO 0.27 0.33 1.27 0.00 -1.33 0.00 0.00 177.39 177.93 1ylm s ALA 106 N -2.46 3.78 -0.23 -1.18 0.00 -1.12 -4.98 121.76 115.56 1ylm s ALA 106 Ca 0.21 1.59 -0.01 0.00 0.00 0.00 0.00 51.96 53.75 1ylm s ALA 106 Cb 0.18 -3.66 0.07 0.00 0.00 0.00 0.00 23.12 19.71 1ylm s ALA 106 CO 0.55 -0.99 0.01 0.34 0.00 0.00 0.00 175.76 175.67 1ylm s ASP 107 N 0.59 3.52 0.46 0.00 -1.08 -1.26 -5.02 116.67 113.88 1ylm s ASP 107 Ca 0.65 -1.14 0.22 0.00 -0.52 0.00 0.00 52.55 51.76 1ylm s ASP 107 Cb -0.48 -0.89 1.10 0.00 -1.46 0.00 0.00 42.92 41.18 1ylm s ASP 107 CO 0.46 -0.30 1.93 0.28 0.52 0.00 0.00 175.17 178.06 1ylm h SER 108 N 8.09 0.00 -0.34 -0.34 0.02 -1.93 -1.52 113.55 117.52 1ylm h SER 108 Ca -0.16 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 1ylm h SER 108 Cb 1.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 1ylm h SER 108 CO 0.39 0.22 0.04 1.23 -1.14 0.00 0.00 176.83 177.58 1ylm h GLY 109 N 1.27 0.61 0.94 -3.77 0.00 -1.95 0.26 103.07 100.44 1ylm h GLY 109 Ca -0.00 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 46.93 1ylm h GLY 109 CO 0.03 0.39 0.49 -2.09 0.00 0.00 0.00 176.54 175.35 1ylm h GLU 110 N 0.39 0.94 -0.37 4.80 4.81 -1.84 -2.26 114.58 121.06 1ylm h GLU 110 Ca 0.10 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1ylm h GLU 110 Cb 0.38 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1ylm h GLU 110 CO 0.01 0.62 -0.06 1.25 -0.73 0.00 0.00 179.01 180.10 1ylm h LEU 111 N 0.97 0.70 -0.40 1.64 5.85 -1.15 -1.71 115.31 121.20 1ylm h LEU 111 Ca 0.29 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1ylm h LEU 111 Cb -0.05 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 1ylm h LEU 111 CO -0.09 0.88 0.09 0.22 -0.34 0.00 0.00 178.44 179.21 1ylm h TYR 112 N 0.51 0.15 -0.78 1.25 3.20 -0.79 -0.66 116.97 119.85 1ylm h TYR 112 Ca 0.10 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1ylm h TYR 112 Cb 0.56 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 1ylm h TYR 112 CO 0.05 0.03 0.33 0.00 -1.64 0.00 0.00 178.16 176.92 1ylm h ARG 113 N 0.22 1.16 0.05 1.82 3.08 -1.25 -0.61 114.38 118.85 1ylm h ARG 113 Ca 0.19 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1ylm h ARG 113 Cb 0.23 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1ylm h ARG 113 CO -0.25 0.93 -0.02 1.25 -1.07 0.00 0.00 179.97 180.81 1ylm h LEU 114 N 1.13 -0.06 -0.42 3.04 5.85 -0.85 -0.81 115.31 123.19 1ylm h LEU 114 Ca 0.26 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 1ylm h LEU 114 Cb 0.19 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1ylm h LEU 114 CO -0.03 -0.01 0.01 0.40 -0.34 0.00 0.00 178.44 178.48 1ylm h ILE 115 N -0.10 1.26 -0.48 4.05 2.04 -0.95 -2.93 117.51 120.40 1ylm h ILE 115 Ca -0.01 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 64.86 1ylm h ILE 115 Cb 0.08 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1ylm h ILE 115 CO 0.01 0.34 0.31 0.11 0.00 0.00 0.00 178.15 178.92 1ylm h LYS 116 N 0.57 0.62 0.00 2.37 1.79 -1.06 -1.81 116.57 119.05 1ylm h LYS 116 Ca 0.12 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1ylm h LYS 116 Cb 0.46 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1ylm h LYS 116 CO 0.02 0.41 -0.02 0.00 -1.08 0.00 0.00 179.45 178.78 1ylm h ALA 117 N 1.18 1.67 0.00 3.86 0.00 -1.06 -2.97 119.26 121.93 1ylm h ALA 117 Ca 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ylm h ALA 117 Cb -0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ylm h ALA 117 CO -0.04 0.03 -0.28 0.72 0.00 0.00 0.00 179.25 179.67 1ylm n HIS 118 N -4.08 0.00 -0.17 0.00 8.25 -0.95 -4.81 115.22 113.45 1ylm n HIS 118 Ca -0.03 -1.22 -0.08 0.00 -0.26 0.00 0.00 57.72 56.13 1ylm n HIS 118 Cb 0.11 -0.20 0.01 0.00 1.12 0.00 0.00 29.99 31.03 1ylm n HIS 118 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1ylm h GLN 119 N 0.52 0.73 -0.21 -0.41 4.15 -1.18 -1.43 115.11 117.28 1ylm h GLN 119 Ca -0.00 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 1ylm h GLN 119 Cb 1.03 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.58 1ylm h GLN 119 CO 0.00 0.62 0.12 1.15 -1.93 0.00 0.00 178.83 178.80 1ylm h THR 120 N 0.66 1.09 -0.95 2.39 2.02 -1.87 0.11 112.91 116.37 1ylm h THR 120 Ca 0.17 -0.23 0.08 0.00 0.77 0.00 0.00 66.41 67.19 1ylm h THR 120 Cb 0.14 0.87 -0.07 0.00 -1.74 0.00 0.00 68.15 67.36 1ylm h THR 120 CO -0.02 0.09 0.61 0.00 0.37 0.00 0.00 175.52 176.57 1ylm h ALA 121 N 1.02 1.51 -0.12 6.16 0.00 -1.88 0.04 119.26 125.99 1ylm h ALA 121 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ylm h ALA 121 Cb 0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1ylm h ALA 121 CO -0.01 0.33 -0.00 -0.07 0.00 0.00 0.00 179.25 179.49 1ylm h LEU 122 N 1.04 0.21 -1.36 0.00 3.38 -0.76 -1.89 115.31 115.93 1ylm h LEU 122 Ca 0.42 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ylm h LEU 122 Cb 0.27 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1ylm h LEU 122 CO -0.18 0.48 0.44 1.56 0.09 0.00 0.00 178.44 180.83 1ylm h GLN 123 N -0.07 0.86 0.00 1.13 4.20 -0.38 -2.48 115.11 118.37 1ylm h GLN 123 Ca 0.03 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1ylm h GLN 123 Cb 0.37 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1ylm h GLN 123 CO 0.01 0.57 -0.15 -0.44 -0.67 0.00 0.00 178.83 178.15 1ylm h ASP 124 N 0.89 0.00 -0.03 1.46 3.32 -0.90 -3.38 116.42 117.78 1ylm h ASP 124 Ca 0.24 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.28 1ylm h ASP 124 Cb -0.09 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1ylm h ASP 124 CO -0.05 0.02 -0.18 0.15 -1.72 0.00 0.00 179.24 177.45 1ylm h PHE 125 N 0.00 -0.48 -0.94 4.55 3.57 -0.85 -0.89 116.94 121.90 1ylm h PHE 125 Ca 0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1ylm h PHE 125 Cb 0.79 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.69 1ylm h PHE 125 CO 0.00 -0.26 0.62 -1.35 -2.23 0.00 0.00 178.31 175.09 1ylm h PRO 126 N -0.28 1.18 -0.35 6.41 0.11 -1.75 -1.55 132.00 135.77 1ylm h PRO 126 Ca 0.06 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 66.15 1ylm h PRO 126 Cb 0.37 -0.27 -0.04 0.00 0.11 0.00 0.00 31.00 31.17 1ylm h PRO 126 CO -0.19 0.78 0.10 0.87 -0.21 0.00 0.00 178.00 179.35 1ylm h LYS 127 N 1.22 0.23 -0.43 1.05 1.57 -1.63 0.53 116.57 119.11 1ylm h LYS 127 Ca 0.36 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.18 1ylm h LYS 127 Cb -0.04 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 1ylm h LYS 127 CO -0.10 0.15 0.16 0.00 -0.57 0.00 0.00 179.45 179.09 1ylm h ARG 128 N 0.24 0.32 -0.02 3.15 2.47 -0.66 -0.76 114.38 119.12 1ylm h ARG 128 Ca 0.16 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1ylm h ARG 128 Cb 0.15 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1ylm h ARG 128 CO -0.18 0.21 0.00 0.82 0.56 0.00 0.00 179.97 181.39 1ylm h ILE 129 N 0.33 1.22 -0.78 2.04 1.08 -0.85 -2.19 117.51 118.37 1ylm h ILE 129 Ca 0.20 -0.64 0.03 0.00 -0.39 0.00 0.00 64.86 64.06 1ylm h ILE 129 Cb 0.18 1.60 -0.05 0.00 -3.07 0.00 0.00 36.82 35.49 1ylm h ILE 129 CO -0.20 0.17 0.49 0.03 -0.69 0.00 0.00 178.15 177.96 1ylm h ARG 130 N -0.22 0.93 -0.73 2.37 3.08 -0.80 -0.73 114.38 118.27 1ylm h ARG 130 Ca 0.01 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1ylm h ARG 130 Cb 0.27 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1ylm h ARG 130 CO 0.00 0.61 0.49 1.03 -1.07 0.00 0.00 179.97 181.03 1ylm h SER 131 N 0.96 0.84 -0.26 7.04 0.87 -1.06 0.90 113.55 122.84 1ylm h SER 131 Ca 0.32 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.81 1ylm h SER 131 Cb 0.03 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1ylm h SER 131 CO -0.12 0.61 -0.02 0.22 -0.53 0.00 0.00 176.83 176.99 1ylm h TYR 132 N 0.99 0.51 -0.34 2.24 3.20 -0.93 -1.42 116.97 121.22 1ylm h TYR 132 Ca 0.27 -0.10 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1ylm h TYR 132 Cb -0.12 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 37.99 1ylm h TYR 132 CO -0.02 0.64 0.11 -0.07 -1.64 0.00 0.00 178.16 177.19 1ylm h LEU 133 N 0.23 0.12 -0.23 2.82 3.38 -0.82 -0.73 115.31 120.07 1ylm h LEU 133 Ca 0.07 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1ylm h LEU 133 Cb 0.45 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1ylm h LEU 133 CO 0.02 0.10 0.12 -0.33 0.09 0.00 0.00 178.44 178.43 1ylm h GLU 134 N 0.26 0.24 -0.19 1.13 4.39 -0.70 0.29 114.58 119.99 1ylm h GLU 134 Ca 0.16 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1ylm h GLU 134 Cb 0.14 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1ylm h GLU 134 CO -0.17 0.16 0.10 1.15 -1.16 0.00 0.00 179.01 179.09 1ylm h THR 135 N 0.25 1.12 0.02 1.13 2.02 -1.08 0.67 112.91 117.03 1ylm h THR 135 Ca 0.09 -0.34 -0.23 0.00 0.77 0.00 0.00 66.41 66.71 1ylm h THR 135 Cb 0.02 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1ylm h THR 135 CO -0.06 0.11 -1.10 -0.33 0.37 0.00 0.00 175.52 174.51 1ylm h GLU 136 N 0.19 0.03 0.00 6.66 4.39 -1.02 -3.39 114.58 121.44 1ylm h GLU 136 Ca 0.07 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ylm h GLU 136 Cb 0.10 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1ylm h GLU 136 CO -0.01 0.98 -0.46 1.28 -1.16 0.00 0.00 179.01 179.64 1ylm n LEU 137 N -3.34 0.08 0.00 1.33 4.77 1.00 -5.08 117.00 115.76 1ylm n LEU 137 Ca -0.03 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1ylm n LEU 137 Cb 0.96 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 1ylm n LEU 137 CO 0.48 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1ylm n GLY 138 N 1.49 -2.77 0.00 -0.72 0.00 0.23 -4.33 105.19 99.08 1ylm n GLY 138 Ca 0.00 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.48 1ylm n GLY 138 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ylm n PRO 139 N -0.76 0.10 0.01 1.61 -0.04 -1.26 -4.30 135.00 130.36 1ylm n PRO 139 Ca 0.00 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1ylm n PRO 139 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1ylm n PRO 139 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ylm n VAL 140 N -1.44 0.12 -3.24 0.52 0.31 -1.26 -5.08 118.33 108.26 1ylm n VAL 140 Ca 0.08 0.04 -0.33 0.00 -0.01 0.00 0.00 64.34 64.12 1ylm n VAL 140 Cb 0.29 -1.30 -0.06 0.00 -0.91 0.00 0.00 33.84 31.86 1ylm n VAL 140 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ylm s SER 141 N -5.10 6.76 0.18 4.52 0.15 -1.26 -4.99 113.70 113.96 1ylm s SER 141 Ca 0.00 1.17 0.25 0.00 0.70 0.00 0.00 55.95 58.07 1ylm s SER 141 Cb 0.00 -2.32 0.63 0.00 -1.71 0.00 0.00 66.02 62.62 1ylm s SER 141 CO 0.00 -0.12 1.60 0.00 1.20 0.00 0.00 173.24 175.93 1ylm n ALA 142 N -0.09 2.53 0.19 5.45 0.00 -1.26 -4.76 120.51 122.57 1ylm n ALA 142 Ca 0.01 -0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.37 1ylm n ALA 142 Cb 0.53 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.64 1ylm n ALA 142 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69