#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 3.55 -0.14 -0.72 0.40 -1.24 -4.26 117.98 115.57 1ylm s PHE 3 Ca 0.00 -2.32 -0.03 0.00 -0.60 0.00 0.00 56.93 53.98 1ylm s PHE 3 Cb 0.00 -3.15 -0.03 0.00 0.51 0.00 0.00 43.02 40.36 1ylm s PHE 3 CO 0.00 -0.96 -0.04 0.08 0.70 0.00 0.00 175.22 175.00 1ylm s VAL 4 N 1.17 3.88 -1.24 -0.44 1.01 -0.79 -4.36 120.40 119.64 1ylm s VAL 4 Ca 0.07 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 1ylm s VAL 4 Cb -0.23 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1ylm s VAL 4 CO -0.04 0.52 2.15 -0.67 0.00 0.00 0.00 175.10 177.07 1ylm n ASP 5 N 3.21 3.57 -0.08 3.32 -0.08 -1.26 -4.71 116.55 120.51 1ylm n ASP 5 Ca -0.18 -2.78 -0.07 0.00 -1.51 0.00 0.00 54.79 50.25 1ylm n ASP 5 Cb 0.53 -1.48 0.10 0.00 2.34 0.00 0.00 41.12 42.60 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 6.57 0.76 -0.20 -0.67 2.43 -1.95 -1.65 114.38 119.68 1ylm h ARG 6 Ca 0.53 -0.30 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1ylm h ARG 6 Cb 0.63 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 1ylm h ARG 6 CO 1.91 0.91 -0.07 0.77 -1.51 0.00 0.00 179.97 181.97 1ylm h SER 7 N 0.66 -0.26 -0.31 -3.80 0.02 -1.99 0.05 113.55 107.93 1ylm h SER 7 Ca 0.09 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1ylm h SER 7 Cb 0.72 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 1ylm h SER 7 CO 0.06 -0.10 0.19 0.50 -1.14 0.00 0.00 176.83 176.34 1ylm h LYS 8 N -0.04 0.38 -0.11 3.45 3.64 -1.86 -1.85 116.57 120.18 1ylm h LYS 8 Ca 0.10 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1ylm h LYS 8 Cb 0.20 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1ylm h LYS 8 CO -0.23 0.25 0.04 0.82 -2.27 0.00 0.00 179.45 178.07 1ylm h ILE 9 N 0.39 1.14 -0.08 2.00 2.04 -1.12 -0.63 117.51 121.25 1ylm h ILE 9 Ca 0.12 -0.43 -0.23 0.00 1.00 0.00 0.00 64.86 65.32 1ylm h ILE 9 Cb -0.02 1.24 0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1ylm h ILE 9 CO -0.04 0.13 -0.85 -0.33 0.00 0.00 0.00 178.15 177.06 1ylm h GLU 10 N 0.02 0.72 -0.43 2.37 5.08 -0.85 0.80 114.58 122.29 1ylm h GLU 10 Ca 0.04 -0.66 0.05 0.00 -1.00 0.00 0.00 59.36 57.78 1ylm h GLU 10 Cb 0.16 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 1ylm h GLU 10 CO -0.00 1.26 -0.23 1.63 -1.00 0.00 0.00 179.01 180.67 1ylm n LYS 11 N -3.95 -0.16 0.13 2.33 5.02 -0.71 -1.69 118.16 119.13 1ylm n LYS 11 Ca -0.09 0.66 -0.02 0.00 -2.02 0.00 0.00 58.31 56.83 1ylm n LYS 11 Cb 0.78 -0.97 0.15 0.00 -0.02 0.00 0.00 35.03 34.97 1ylm n LYS 11 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1ylm h THR 12 N 0.00 1.46 -0.68 -0.18 1.35 -0.27 -2.42 112.91 112.17 1ylm h THR 12 Ca 0.10 -2.19 -0.03 0.00 -0.55 0.00 0.00 66.41 63.73 1ylm h THR 12 Cb 0.20 2.18 -0.03 0.00 -1.73 0.00 0.00 68.15 68.77 1ylm h THR 12 CO -0.41 0.63 0.30 -0.07 -0.25 0.00 0.00 175.52 175.72 1ylm h LEU 13 N 0.02 0.92 -0.43 3.87 3.38 -0.69 -0.04 115.31 122.33 1ylm h LEU 13 Ca -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1ylm h LEU 13 Cb 1.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1ylm h LEU 13 CO 0.09 0.81 0.22 1.23 0.09 0.00 0.00 178.44 180.88 1ylm h GLY 14 N 0.96 0.66 0.88 0.83 0.00 -1.21 -0.96 103.07 104.23 1ylm h GLY 14 Ca 0.23 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.25 1ylm h GLY 14 CO -0.02 0.30 -0.07 -2.75 0.00 0.00 0.00 176.54 173.99 1ylm h PHE 15 N 0.56 -0.19 -0.54 5.60 3.57 -1.30 -1.75 116.94 122.89 1ylm h PHE 15 Ca 0.15 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.76 1ylm h PHE 15 Cb 0.09 0.08 -0.11 0.00 2.79 0.00 0.00 35.95 38.80 1ylm h PHE 15 CO -0.02 -0.12 -0.24 0.35 -2.23 0.00 0.00 178.31 176.06 1ylm h PHE 16 N -0.16 -0.62 -0.92 0.41 3.57 -0.88 -1.70 116.94 116.65 1ylm h PHE 16 Ca 0.01 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1ylm h PHE 16 Cb 0.16 0.35 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 1ylm h PHE 16 CO -0.11 -0.32 0.53 0.93 -2.23 0.00 0.00 178.31 177.10 1ylm h GLU 17 N -0.11 1.27 -0.39 1.11 5.08 -0.91 -0.51 114.58 120.11 1ylm h GLU 17 Ca 0.24 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1ylm h GLU 17 Cb 0.50 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1ylm h GLU 17 CO -0.61 0.91 0.21 1.25 -1.00 0.00 0.00 179.01 179.78 1ylm h HIS 18 N 1.28 0.40 -0.62 4.33 2.76 -0.79 0.52 115.15 123.03 1ylm h HIS 18 Ca 0.33 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.42 1ylm h HIS 18 Cb -0.01 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 1ylm h HIS 18 CO 0.01 0.22 0.03 1.96 -1.30 0.00 0.00 177.93 178.85 1ylm h GLN 19 N 0.44 1.08 -0.59 5.26 1.08 -0.69 -1.29 115.11 120.40 1ylm h GLN 19 Ca 0.16 -0.33 -0.00 0.00 -1.45 0.00 0.00 58.65 57.03 1ylm h GLN 19 Cb 0.04 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 1ylm h GLN 19 CO -0.09 1.03 0.35 1.25 -0.95 0.00 0.00 178.83 180.42 1ylm h LEU 20 N 0.99 0.70 -0.98 1.46 5.85 -0.85 -0.23 115.31 122.25 1ylm h LEU 20 Ca 0.18 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.92 1ylm h LEU 20 Cb 0.53 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 1ylm h LEU 20 CO 0.03 0.55 0.62 0.00 -0.34 0.00 0.00 178.44 179.30 1ylm h ALA 21 N 1.18 1.37 -0.46 1.25 0.00 -0.49 -0.64 119.26 121.46 1ylm h ALA 21 Ca 0.21 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1ylm h ALA 21 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1ylm h ALA 21 CO -0.04 0.38 -0.20 -0.07 0.00 0.00 0.00 179.25 179.32 1ylm h LEU 22 N 1.11 0.95 -1.01 0.00 3.38 -0.74 -2.36 115.31 116.65 1ylm h LEU 22 Ca 0.43 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1ylm h LEU 22 Cb 0.22 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1ylm h LEU 22 CO -0.19 1.12 0.67 0.15 0.09 0.00 0.00 178.44 180.27 1ylm h PHE 23 N 0.81 1.26 0.00 1.13 3.57 -0.24 -1.63 116.94 121.83 1ylm h PHE 23 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1ylm h PHE 23 Cb 0.76 -0.43 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1ylm h PHE 23 CO 0.05 0.78 0.00 -3.47 -2.23 0.00 0.00 178.31 173.44 1ylm n ASP 24 N -4.39 0.00 -4.92 0.41 2.03 -0.32 -4.87 116.55 104.48 1ylm n ASP 24 Ca 0.12 -1.53 -0.26 0.00 0.52 0.00 0.00 54.79 53.65 1ylm n ASP 24 Cb 0.03 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.47 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 -1.44 5.29 -1.29 1.67 1.04 -0.62 -5.00 113.70 113.36 1ylm s SER 25 Ca 0.19 0.59 -0.14 0.00 0.48 0.00 0.00 55.95 57.07 1ylm s SER 25 Cb 0.09 -1.45 0.12 0.00 0.10 0.00 0.00 66.02 64.88 1ylm s SER 25 CO 0.15 -1.27 1.74 0.00 0.98 0.00 0.00 173.24 174.84 1ylm n GLN 26 N -2.70 3.30 -4.62 4.02 6.02 -1.26 -4.92 117.38 117.21 1ylm n GLN 26 Ca 0.06 -3.43 -0.34 0.00 -0.01 0.00 0.00 57.00 53.29 1ylm n GLN 26 Cb 0.59 -3.18 -0.12 0.00 1.02 0.00 0.00 30.24 28.55 1ylm n GLN 26 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1ylm s THR 27 N 2.26 3.57 0.00 5.09 2.01 -1.26 -5.07 115.64 122.24 1ylm s THR 27 Ca 0.46 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1ylm s THR 27 Cb 0.04 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 70.07 1ylm s THR 27 CO 0.01 0.55 0.00 -0.67 -0.69 0.00 0.00 174.62 173.82 1ylm n ASP 28 N 2.84 0.00 0.00 3.53 2.03 -1.26 -4.89 116.55 118.80 1ylm n ASP 28 Ca -0.18 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.26 1ylm n ASP 28 Cb 0.53 0.00 0.76 0.00 -0.72 0.00 0.00 41.12 41.69 1ylm n ASP 28 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1ylm n TRP 29 N 0.00 0.00 0.11 -0.67 7.02 -1.26 -4.01 117.44 118.63 1ylm n TRP 29 Ca 0.00 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.53 1ylm n TRP 29 Cb 0.00 -0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 28.81 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 -1.00 1.17 0.00 -0.99 6.02 -1.26 -2.71 117.38 118.60 1ylm n GLN 30 Ca 0.19 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1ylm n GLN 30 Cb 0.09 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.17 1ylm n GLN 30 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1ylm n SER 31 N -1.70 0.00 0.00 1.08 3.41 -1.26 -4.80 113.62 110.35 1ylm n SER 31 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1ylm n SER 31 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1ylm n SER 31 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ylm n GLU 32 N 0.00 0.00 -0.21 4.33 1.02 -1.26 0.47 120.64 124.99 1ylm n GLU 32 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1ylm n GLU 32 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.44 1ylm n GLU 32 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1ylm h ILE 33 N 0.00 1.26 -0.76 -3.67 1.08 -1.92 -2.48 117.51 111.02 1ylm h ILE 33 Ca 0.00 -0.99 0.02 0.00 -0.39 0.00 0.00 64.86 63.50 1ylm h ILE 33 Cb 0.00 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 34.45 1ylm h ILE 33 CO 0.00 0.36 0.49 1.23 -0.69 0.00 0.00 178.15 179.55 1ylm h GLY 34 N 0.89 1.07 0.99 5.37 0.00 -1.56 -0.61 103.07 109.24 1ylm h GLY 34 Ca 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1ylm h GLY 34 CO 0.01 0.36 0.34 0.83 0.00 0.00 0.00 176.54 178.08 1ylm h GLU 35 N 1.00 0.85 -0.35 4.80 5.08 0.25 -1.16 114.58 125.04 1ylm h GLU 35 Ca 0.29 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1ylm h GLU 35 Cb -0.07 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1ylm h GLU 35 CO -0.08 0.64 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.48 1ylm h LEU 36 N 0.83 0.62 -0.73 1.33 3.38 -1.17 -1.79 115.31 117.77 1ylm h LEU 36 Ca 0.22 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1ylm h LEU 36 Cb 0.03 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1ylm h LEU 36 CO -0.04 0.79 0.41 0.00 0.09 0.00 0.00 178.44 179.70 1ylm h ALA 37 N 0.85 0.94 -0.59 1.53 0.00 -0.90 -2.07 119.26 119.02 1ylm h ALA 37 Ca 0.10 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1ylm h ALA 37 Cb 0.49 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ylm h ALA 37 CO 0.02 0.44 0.04 1.25 0.00 0.00 0.00 179.25 181.00 1ylm h LEU 38 N 1.01 0.95 -0.74 0.00 5.85 -1.09 -0.87 115.31 120.42 1ylm h LEU 38 Ca 0.26 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1ylm h LEU 38 Cb 0.01 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1ylm h LEU 38 CO -0.04 0.98 0.49 1.56 -0.34 0.00 0.00 178.44 181.08 1ylm h GLN 39 N 0.91 0.95 -0.40 1.25 4.20 -1.01 -0.64 115.11 120.37 1ylm h GLN 39 Ca 0.17 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1ylm h GLN 39 Cb 0.48 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1ylm h GLN 39 CO 0.02 0.63 0.14 -0.09 -0.67 0.00 0.00 178.83 178.86 1ylm h ARG 40 N 0.98 0.60 -0.12 1.46 9.65 -0.94 -1.51 114.38 124.50 1ylm h ARG 40 Ca 0.28 -0.12 0.03 0.00 -1.10 0.00 0.00 59.98 59.07 1ylm h ARG 40 Cb -0.08 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.37 1ylm h ARG 40 CO -0.07 0.59 -0.08 0.82 2.80 0.00 0.00 179.97 184.03 1ylm h ILE 41 N 0.49 0.77 -0.42 1.20 2.04 -0.91 0.43 117.51 121.11 1ylm h ILE 41 Ca 0.13 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.07 1ylm h ILE 41 Cb 0.22 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1ylm h ILE 41 CO -0.01 0.00 -0.01 1.23 0.00 0.00 0.00 178.15 179.36 1ylm h GLY 42 N -0.08 0.42 0.87 5.37 0.00 -0.98 0.95 103.07 109.61 1ylm h GLY 42 Ca 0.07 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1ylm h GLY 42 CO -0.17 -0.11 -0.10 0.84 0.00 0.00 0.00 176.54 177.00 1ylm h HIS 43 N 0.10 -0.26 -0.62 5.60 -0.00 -1.00 -2.10 115.15 116.87 1ylm h HIS 43 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 1ylm h HIS 43 Cb 0.30 0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.79 1ylm h HIS 43 CO -0.29 -0.16 0.40 -0.07 -0.00 0.00 0.00 177.93 177.82 1ylm h LEU 44 N -0.22 0.72 -0.22 0.26 3.38 -0.48 -0.74 115.31 118.01 1ylm h LEU 44 Ca 0.01 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1ylm h LEU 44 Cb 0.22 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1ylm h LEU 44 CO -0.03 0.53 0.02 -0.07 0.09 0.00 0.00 178.44 178.98 1ylm h LEU 45 N 0.84 -0.04 0.03 1.67 3.38 -0.69 -1.05 115.31 119.45 1ylm h LEU 45 Ca 0.23 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1ylm h LEU 45 Cb -0.08 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ylm h LEU 45 CO -0.05 0.01 -0.02 0.40 0.09 0.00 0.00 178.44 178.87 1ylm h ILE 46 N 0.10 0.95 -0.74 1.22 2.04 -1.13 -2.00 117.51 117.95 1ylm h ILE 46 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1ylm h ILE 46 Cb 0.11 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1ylm h ILE 46 CO -0.15 0.00 0.42 -0.33 0.00 0.00 0.00 178.15 178.09 1ylm h GLU 47 N -0.06 1.03 -0.73 2.37 4.39 -1.00 -0.49 114.58 120.09 1ylm h GLU 47 Ca 0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1ylm h GLU 47 Cb 0.05 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 1ylm h GLU 47 CO -0.00 0.75 0.47 0.00 -1.16 0.00 0.00 179.01 179.07 1ylm h ILE 49 N 0.99 1.22 -0.48 0.00 2.04 -0.81 -1.09 117.51 119.39 1ylm h ILE 49 Ca 0.27 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 1ylm h ILE 49 Cb -0.09 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1ylm h ILE 49 CO -0.06 0.22 0.12 -0.07 0.00 0.00 0.00 178.15 178.36 1ylm h LEU 50 N 0.04 0.73 -0.28 1.44 3.38 -0.91 0.92 115.31 120.64 1ylm h LEU 50 Ca 0.05 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1ylm h LEU 50 Cb 0.31 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1ylm h LEU 50 CO 0.00 0.77 -0.01 0.44 0.09 0.00 0.00 178.44 179.74 1ylm h ASP 51 N 0.66 0.49 -0.27 -0.43 3.32 -0.78 0.44 116.42 119.85 1ylm h ASP 51 Ca 0.15 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 1ylm h ASP 51 Cb 0.33 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1ylm h ASP 51 CO 0.00 0.69 0.16 0.74 -1.72 0.00 0.00 179.24 179.11 1ylm h THR 52 N 0.28 1.11 -0.21 0.35 2.02 -1.13 -0.56 112.91 114.76 1ylm h THR 52 Ca 0.08 -0.27 0.04 0.00 0.77 0.00 0.00 66.41 67.04 1ylm h THR 52 Cb 0.44 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 1ylm h THR 52 CO 0.02 0.11 -0.06 1.23 0.37 0.00 0.00 175.52 177.18 1ylm h GLY 53 N 0.34 0.14 0.64 2.16 0.00 -0.65 -2.45 103.07 103.25 1ylm h GLY 53 Ca 0.10 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.56 1ylm h GLY 53 CO -0.02 -0.09 0.23 3.43 0.00 0.00 0.00 176.54 180.09 1ylm h ASN 54 N -0.01 0.30 0.00 0.19 -0.26 -0.76 -0.48 115.58 114.56 1ylm h ASN 54 Ca 0.10 0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1ylm h ASN 54 Cb 0.17 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 1ylm h ASN 54 CO -0.23 0.21 0.00 0.47 -1.06 0.00 0.00 177.43 176.82 1ylm n ASP 55 N -4.93 0.33 0.00 5.81 8.00 -0.23 -0.91 116.55 124.62 1ylm n ASP 55 Ca 0.05 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1ylm n ASP 55 Cb 0.17 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 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 0.72 0.00 -0.06 0.53 5.41 -0.19 -1.03 119.36 124.74 1ylm n ILE 57 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 1ylm n ILE 57 Cb 0.06 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.95 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 -0.66 4.38 3.32 -1.28 -2.13 116.42 120.32 1ylm h ASP 58 Ca 0.00 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 56.87 1ylm h ASP 58 Cb 0.00 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1ylm h ASP 58 CO 0.00 0.29 0.09 1.23 -1.72 0.00 0.00 179.24 179.13 1ylm h GLY 59 N 0.23 1.20 -3.12 2.75 0.00 -1.28 -3.20 103.07 99.65 1ylm h GLY 59 Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1ylm h GLY 59 CO -0.01 0.75 0.00 0.69 0.00 0.00 0.00 176.54 177.97 1ylm n PHE 60 N -4.20 1.56 -2.34 5.60 3.01 -1.20 -3.63 117.46 116.26 1ylm n PHE 60 Ca 0.04 -0.61 -0.01 0.00 1.01 0.00 0.00 57.45 57.89 1ylm n PHE 60 Cb 0.31 -0.28 -0.01 0.00 -0.01 0.00 0.00 39.48 39.49 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 1.06 -6.22 -2.74 4.37 5.41 -0.80 -5.01 119.36 115.42 1ylm n ILE 61 Ca 0.26 1.41 -0.40 0.00 1.00 0.00 0.00 62.75 65.02 1ylm n ILE 61 Cb 0.92 -3.78 -0.06 0.00 -0.71 0.00 0.00 39.64 36.01 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 -0.28 4.83 0.00 0.38 3.52 -1.26 -5.06 118.95 121.08 1ylm s ARG 63 Ca -0.03 1.49 -0.30 0.00 -0.13 0.00 0.00 55.73 56.76 1ylm s ARG 63 Cb 0.00 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 1ylm s ARG 63 CO 0.09 0.47 1.08 0.34 -0.81 0.00 0.00 175.30 176.47 1ylm s ASP 64 N -1.01 7.23 0.18 -2.12 2.15 -1.26 -4.98 116.67 116.86 1ylm s ASP 64 Ca 0.42 1.77 -0.30 0.00 0.43 0.00 0.00 52.55 54.87 1ylm s ASP 64 Cb -0.26 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 39.71 1ylm s ASP 64 CO 0.32 -0.38 1.17 -2.16 -0.17 0.00 0.00 175.17 173.94 1ylm s PRO 65 N 1.28 4.52 0.10 4.34 0.04 -1.26 -4.95 135.00 139.06 1ylm s PRO 65 Ca 0.54 1.83 -0.15 0.00 0.04 0.00 0.00 61.00 63.26 1ylm s PRO 65 Cb -0.24 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 30.96 1ylm s PRO 65 CO 0.27 -0.04 1.42 0.78 0.04 0.00 0.00 177.00 179.46 1ylm h GLY 66 N 5.21 0.75 -2.76 0.56 0.00 -1.95 -3.47 103.07 101.42 1ylm h GLY 66 Ca -0.44 -0.77 -0.23 0.00 0.00 0.00 0.00 47.33 45.90 1ylm h GLY 66 CO 0.74 0.69 -0.64 -1.35 0.00 0.00 0.00 176.54 175.98 1ylm s SER 67 N -6.53 0.50 0.58 0.19 1.04 -1.26 -5.03 113.70 103.19 1ylm s SER 67 Ca -0.12 -1.25 0.28 0.00 0.48 0.00 0.00 55.95 55.33 1ylm s SER 67 Cb 0.09 0.27 1.55 0.00 0.10 0.00 0.00 66.02 68.02 1ylm s SER 67 CO 0.83 -0.72 2.01 0.10 0.98 0.00 0.00 173.24 176.43 1ylm h TYR 68 N 2.75 0.00 0.00 5.02 -0.00 -2.01 -0.71 116.97 122.01 1ylm h TYR 68 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.37 1ylm h TYR 68 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.94 1ylm h TYR 68 CO 0.44 0.00 0.00 -0.44 -0.00 0.00 0.00 178.16 178.16 1ylm h ASP 69 N 0.00 0.00 1.43 0.10 3.32 -1.99 -2.84 116.42 116.44 1ylm h ASP 69 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1ylm h ASP 69 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1ylm h ASP 69 CO -0.00 0.00 -0.50 0.44 -1.72 0.00 0.00 179.24 177.46 1ylm h ASP 70 N 0.00 0.00 0.00 6.45 3.32 -1.53 -3.42 116.42 121.24 1ylm h ASP 70 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ylm h ASP 70 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1ylm h ASP 70 CO 0.00 0.01 0.00 -0.38 -1.72 0.00 0.00 179.24 177.15 1ylm n ILE 71 N -2.79 0.00 0.00 0.35 5.41 -1.08 -2.34 119.36 118.91 1ylm n ILE 71 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1ylm n ILE 71 Cb 0.53 -0.12 0.00 0.00 -0.71 0.00 0.00 39.64 39.34 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 0.12 0.00 -0.09 4.38 8.00 -1.26 -1.89 116.55 125.80 1ylm n ASP 73 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 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 1.30 -0.47 0.53 2.04 -1.86 -0.75 117.51 118.29 1ylm h ILE 74 Ca 0.00 -1.34 -0.00 0.00 1.00 0.00 0.00 64.86 64.51 1ylm h ILE 74 Cb 0.00 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1ylm h ILE 74 CO 0.00 0.43 0.28 -0.07 0.00 0.00 0.00 178.15 178.79 1ylm h LEU 75 N 0.38 0.56 0.09 1.44 3.38 -1.67 -0.30 115.31 119.19 1ylm h LEU 75 Ca 0.05 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ylm h LEU 75 Cb 0.75 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1ylm h LEU 75 CO 0.05 0.44 -0.04 0.58 0.09 0.00 0.00 178.44 179.56 1ylm h VAL 76 N 0.65 1.10 -1.00 1.22 2.07 -1.73 0.10 116.25 118.66 1ylm h VAL 76 Ca 0.17 -0.72 0.19 0.00 0.82 0.00 0.00 66.70 67.16 1ylm h VAL 76 Cb -0.02 1.56 -0.10 0.00 -1.52 0.00 0.00 31.29 31.21 1ylm h VAL 76 CO -0.03 0.18 0.61 0.44 0.02 0.00 0.00 177.57 178.79 1ylm h ASP 77 N -0.45 0.76 -0.13 0.57 3.32 -0.63 -0.24 116.42 119.62 1ylm h ASP 77 Ca -0.01 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1ylm h ASP 77 Cb 0.38 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1ylm h ASP 77 CO 0.02 0.28 0.00 -0.62 -1.72 0.00 0.00 179.24 177.20 1ylm n GLU 78 N -4.73 1.58 -2.73 3.56 -0.58 -0.17 -4.92 120.64 112.65 1ylm n GLU 78 Ca 0.23 -0.87 -0.22 0.00 -0.42 0.00 0.00 57.16 55.88 1ylm n GLU 78 Cb 0.58 -1.38 0.02 0.00 -0.57 0.00 0.00 31.44 30.09 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 0.09 -3.44 -0.03 3.49 4.01 -0.10 -4.91 118.16 117.26 1ylm n LYS 79 Ca 0.16 0.97 -0.14 0.00 -0.51 0.00 0.00 58.31 58.78 1ylm n LYS 79 Cb 0.28 -5.74 -0.10 0.00 -0.51 0.00 0.00 35.03 28.96 1ylm n LYS 79 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1ylm h VAL 80 N -0.76 1.45 -2.55 -0.18 2.07 -1.03 -3.47 116.25 111.78 1ylm h VAL 80 Ca -0.52 -1.65 -0.52 0.00 0.82 0.00 0.00 66.70 64.83 1ylm h VAL 80 Cb 1.37 2.36 -0.14 0.00 -1.52 0.00 0.00 31.29 33.36 1ylm h VAL 80 CO 0.58 0.46 -0.70 0.68 0.02 0.00 0.00 177.57 178.61 1ylm s VAL 81 N -3.67 1.86 0.76 2.57 -7.23 -1.21 -4.70 120.40 108.79 1ylm s VAL 81 Ca -0.15 -2.20 -0.11 0.00 -1.81 0.00 0.00 61.98 57.71 1ylm s VAL 81 Cb 0.03 -2.35 0.05 0.00 0.56 0.00 0.00 36.38 34.67 1ylm s VAL 81 CO 0.75 -0.38 1.10 0.42 -0.31 0.00 0.00 175.10 176.68 1ylm s THR 82 N -2.88 3.30 0.19 5.32 -4.23 -1.26 -4.44 115.64 111.63 1ylm s THR 82 Ca 0.28 0.45 -0.13 0.00 -1.18 0.00 0.00 61.69 61.11 1ylm s THR 82 Cb 0.01 -2.93 0.11 0.00 1.34 0.00 0.00 72.50 71.03 1ylm s THR 82 CO 0.12 -0.52 1.72 -0.08 -0.54 0.00 0.00 174.62 175.31 1ylm h GLU 83 N -0.97 0.24 -0.47 3.99 4.81 -1.98 -0.36 114.58 119.85 1ylm h GLU 83 Ca -0.44 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.72 1ylm h GLU 83 Cb 1.23 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1ylm h GLU 83 CO 0.52 0.16 0.07 1.57 -0.73 0.00 0.00 179.01 180.59 1ylm h LYS 84 N 0.25 0.78 -0.58 1.92 2.10 -2.00 -1.52 116.57 117.51 1ylm h LYS 84 Ca 0.25 -0.21 0.08 0.00 -2.00 0.00 0.00 60.65 58.77 1ylm h LYS 84 Cb 0.32 -0.09 -0.07 0.00 -0.90 0.00 0.00 32.23 31.50 1ylm h LYS 84 CO -0.31 0.80 0.23 0.93 -2.00 0.00 0.00 179.45 179.09 1ylm h GLU 85 N 0.64 0.41 -0.34 0.07 5.08 -1.88 -1.36 114.58 117.20 1ylm h GLU 85 Ca 0.14 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1ylm h GLU 85 Cb 0.40 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1ylm h GLU 85 CO 0.01 0.27 0.18 0.78 -1.00 0.00 0.00 179.01 179.26 1ylm h GLY 86 N 0.42 0.46 0.98 -3.84 0.00 -0.74 -0.00 103.07 100.34 1ylm h GLY 86 Ca 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1ylm h GLY 86 CO -0.27 0.12 0.26 -0.55 0.00 0.00 0.00 176.54 176.09 1ylm h ASP 87 N 0.38 0.60 -0.12 0.19 3.32 -1.04 -0.34 116.42 119.42 1ylm h ASP 87 Ca 0.14 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1ylm h ASP 87 Cb 0.02 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1ylm h ASP 87 CO -0.08 0.52 0.07 -0.33 -1.72 0.00 0.00 179.24 177.70 1ylm h GLU 88 N 0.63 0.16 -0.49 3.56 5.08 -1.00 -2.60 114.58 119.92 1ylm h GLU 88 Ca 0.17 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1ylm h GLU 88 Cb 0.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1ylm h GLU 88 CO -0.03 0.14 0.12 -0.07 -1.00 0.00 0.00 179.01 178.17 1ylm h LEU 89 N 0.13 0.69 -1.33 1.33 3.38 -0.80 -2.00 115.31 116.72 1ylm h LEU 89 Ca 0.04 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.97 1ylm h LEU 89 Cb 0.02 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1ylm h LEU 89 CO -0.01 0.68 0.51 0.11 0.09 0.00 0.00 178.44 179.83 1ylm h LYS 90 N 0.72 0.77 -0.37 1.13 1.57 -0.77 -1.16 116.57 118.46 1ylm h LYS 90 Ca 0.16 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1ylm h LYS 90 Cb 0.27 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1ylm h LYS 90 CO -0.00 0.51 -0.12 0.87 -0.57 0.00 0.00 179.45 180.14 1ylm h LYS 91 N 0.80 0.66 -0.15 3.15 1.57 -0.99 -0.85 116.57 120.75 1ylm h LYS 91 Ca 0.34 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1ylm h LYS 91 Cb 0.31 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1ylm h LYS 91 CO -0.12 0.76 -0.18 1.25 -0.57 0.00 0.00 179.45 180.58 1ylm h LEU 92 N 0.60 0.43 -1.60 2.94 5.85 -1.39 -3.22 115.31 118.92 1ylm h LEU 92 Ca 0.11 -0.50 0.10 0.00 0.84 0.00 0.00 57.88 58.42 1ylm h LEU 92 Cb 0.55 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1ylm h LEU 92 CO 0.03 0.84 0.42 0.40 -0.34 0.00 0.00 178.44 179.79 1ylm h ILE 93 N 0.02 0.90 0.00 4.05 2.04 -0.91 -0.14 117.51 123.47 1ylm h ILE 93 Ca 0.02 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1ylm h ILE 93 Cb 0.74 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1ylm h ILE 93 CO 0.04 0.08 0.01 0.00 0.00 0.00 0.00 178.15 178.29 1ylm h ALA 94 N 1.68 1.01 0.00 1.87 0.00 -1.17 -0.66 119.26 121.99 1ylm h ALA 94 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ylm h ALA 94 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ylm h ALA 94 CO -0.08 -0.01 0.00 0.98 0.00 0.00 0.00 179.25 180.13 1ylm n TYR 95 N -2.75 0.00 -0.13 0.00 9.36 -0.06 -4.24 117.16 119.33 1ylm n TYR 95 Ca -0.02 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.15 1ylm n TYR 95 Cb 0.07 -0.46 0.04 0.00 -0.63 0.00 0.00 39.34 38.35 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 0.00 0.33 -0.93 2.98 2.43 -1.26 -2.26 114.38 115.67 1ylm h ARG 96 Ca 0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1ylm h ARG 96 Cb 0.46 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 1ylm h ARG 96 CO 0.00 0.22 0.61 -0.22 -1.51 0.00 0.00 179.97 179.07 1ylm h LYS 97 N 0.34 1.23 -0.60 0.20 3.64 -1.80 -0.31 116.57 119.27 1ylm h LYS 97 Ca 0.20 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1ylm h LYS 97 Cb 0.17 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1ylm h LYS 97 CO -0.19 0.82 0.33 1.15 -2.27 0.00 0.00 179.45 179.29 1ylm h THR 98 N 1.27 1.20 -0.25 1.00 2.02 -1.72 0.14 112.91 116.57 1ylm h THR 98 Ca 0.34 -0.49 -0.15 0.00 0.77 0.00 0.00 66.41 66.88 1ylm h THR 98 Cb -0.14 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1ylm h THR 98 CO -0.07 0.21 -0.45 -0.07 0.37 0.00 0.00 175.52 175.51 1ylm h LEU 99 N 0.81 0.68 0.00 2.58 3.38 -0.74 -2.46 115.31 119.56 1ylm h LEU 99 Ca 0.21 -0.32 -0.17 0.00 0.09 0.00 0.00 57.88 57.69 1ylm h LEU 99 Cb 0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1ylm h LEU 99 CO -0.03 1.03 -1.96 1.33 0.09 0.00 0.00 178.44 178.90 1ylm n VAL 100 N -4.01 0.63 -0.01 1.22 0.24 -0.22 -4.63 118.33 111.55 1ylm n VAL 100 Ca -0.02 -0.55 -0.02 0.00 -2.04 0.00 0.00 64.34 61.70 1ylm n VAL 100 Cb 0.55 -0.29 -0.01 0.00 -1.47 0.00 0.00 33.84 32.62 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 -2.38 0.06 -2.39 7.34 7.27 0.28 -4.80 117.38 122.76 1ylm n GLN 101 Ca -0.16 0.02 -0.36 0.00 0.07 0.00 0.00 57.00 56.57 1ylm n GLN 101 Cb 0.78 -0.72 0.01 0.00 2.41 0.00 0.00 30.24 32.72 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 -2.96 3.75 0.26 3.69 6.02 0.04 -4.81 117.38 123.37 1ylm n GLN 102 Ca -0.05 -4.24 0.17 0.00 -0.01 0.00 0.00 57.00 52.87 1ylm n GLN 102 Cb 0.54 -2.32 0.66 0.00 1.02 0.00 0.00 30.24 30.14 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 3.27 0.00 0.00 1.08 -0.00 -1.69 -0.97 116.97 118.66 1ylm h TYR 103 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 59.17 1ylm h TYR 103 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.08 1ylm h TYR 103 CO 1.11 0.00 -0.03 -0.07 -0.00 0.00 0.00 178.16 179.17 1ylm h LEU 104 N 0.00 0.00 -0.50 0.10 3.38 -1.87 -2.63 115.31 113.78 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 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ylm h LEU 104 CO 0.00 0.03 -0.41 0.18 0.09 0.00 0.00 178.44 178.33 1ylm n LEU 105 N -3.66 1.19 -4.71 1.67 4.77 -0.37 -4.97 117.00 110.93 1ylm n LEU 105 Ca -0.03 -0.37 -0.43 0.00 -0.03 0.00 0.00 56.01 55.16 1ylm n LEU 105 Cb 0.12 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1ylm n LEU 105 CO 0.27 0.23 1.09 0.00 -1.33 0.00 0.00 177.39 177.65 1ylm n ALA 106 N -0.69 1.73 -3.78 -1.18 0.00 -1.00 -4.97 120.51 110.63 1ylm n ALA 106 Ca 0.10 0.39 -0.30 0.00 0.00 0.00 0.00 53.44 53.63 1ylm n ALA 106 Cb 0.37 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 17.32 1ylm n ALA 106 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ylm s ASP 107 N 0.28 3.98 0.50 0.00 -1.08 -1.26 -5.02 116.67 114.07 1ylm s ASP 107 Ca 0.64 -1.58 0.18 0.00 -0.52 0.00 0.00 52.55 51.28 1ylm s ASP 107 Cb -0.57 -0.94 1.25 0.00 -1.46 0.00 0.00 42.92 41.20 1ylm s ASP 107 CO 0.51 -0.39 2.09 0.28 0.52 0.00 0.00 175.17 178.18 1ylm h SER 108 N 8.05 0.00 -0.26 -0.34 0.02 -1.93 -1.49 113.55 117.60 1ylm h SER 108 Ca -0.13 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.75 1ylm h SER 108 Cb 1.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1ylm h SER 108 CO 0.46 0.09 -0.09 1.23 -1.14 0.00 0.00 176.83 177.38 1ylm h GLY 109 N 0.32 0.55 0.61 -3.77 0.00 -1.95 0.03 103.07 98.86 1ylm h GLY 109 Ca -0.00 -0.47 0.04 0.00 0.00 0.00 0.00 47.33 46.90 1ylm h GLY 109 CO 0.01 0.43 0.03 -2.09 0.00 0.00 0.00 176.54 174.92 1ylm h GLU 110 N 0.25 0.12 -0.45 4.80 4.81 -1.91 -2.02 114.58 120.18 1ylm h GLU 110 Ca 0.06 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1ylm h GLU 110 Cb 0.57 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1ylm h GLU 110 CO 0.03 0.08 0.11 1.25 -0.73 0.00 0.00 179.01 179.75 1ylm h LEU 111 N 0.12 0.69 -0.47 1.64 5.85 -1.17 -1.20 115.31 120.77 1ylm h LEU 111 Ca 0.14 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.71 1ylm h LEU 111 Cb 0.16 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.93 1ylm h LEU 111 CO -0.20 0.74 -0.07 0.22 -0.34 0.00 0.00 178.44 178.79 1ylm h TYR 112 N 0.60 -0.15 -0.50 1.25 3.20 -0.82 -0.89 116.97 119.67 1ylm h TYR 112 Ca 0.14 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 1ylm h TYR 112 Cb 0.32 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1ylm h TYR 112 CO 0.02 -0.16 0.05 0.00 -1.64 0.00 0.00 178.16 176.43 1ylm h ARG 113 N 0.05 0.80 0.10 1.82 3.08 -0.94 -0.21 114.38 119.07 1ylm h ARG 113 Ca 0.23 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ylm h ARG 113 Cb 0.35 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ylm h ARG 113 CO -0.44 0.77 -0.05 1.25 -1.07 0.00 0.00 179.97 180.43 1ylm h LEU 114 N 0.75 -0.11 -0.44 3.04 5.85 -0.58 -0.91 115.31 122.92 1ylm h LEU 114 Ca 0.16 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ylm h LEU 114 Cb 0.38 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1ylm h LEU 114 CO 0.01 0.04 0.18 0.40 -0.34 0.00 0.00 178.44 178.74 1ylm h ILE 115 N -0.26 1.20 -0.51 4.05 2.04 -1.01 -2.82 117.51 120.20 1ylm h ILE 115 Ca -0.01 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.26 1ylm h ILE 115 Cb 0.22 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1ylm h ILE 115 CO 0.02 0.22 0.33 0.50 0.00 0.00 0.00 178.15 179.22 1ylm h LYS 116 N 0.56 0.65 -0.07 2.37 1.63 -0.99 -1.43 116.57 119.29 1ylm h LYS 116 Ca 0.15 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.93 1ylm h LYS 116 Cb 0.18 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1ylm h LYS 116 CO -0.01 0.43 0.05 0.00 -3.45 0.00 0.00 179.45 176.47 1ylm h ALA 117 N 1.20 2.01 -0.11 5.00 0.00 -0.98 -2.54 119.26 123.84 1ylm h ALA 117 Ca 0.19 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1ylm h ALA 117 Cb -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ylm h ALA 117 CO -0.06 -0.09 -0.17 0.72 0.00 0.00 0.00 179.25 179.66 1ylm n HIS 118 N -4.43 0.37 -0.22 0.00 8.25 -0.89 -4.79 115.22 113.51 1ylm n HIS 118 Ca -0.01 -1.26 -0.07 0.00 -0.26 0.00 0.00 57.72 56.12 1ylm n HIS 118 Cb 0.16 -0.28 0.08 0.00 1.12 0.00 0.00 29.99 31.07 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 0.79 1.06 -0.20 -0.41 4.15 -0.83 -1.15 115.11 118.53 1ylm h GLN 119 Ca 0.05 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 59.20 1ylm h GLN 119 Cb 1.21 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 1ylm h GLN 119 CO 0.12 0.96 0.11 1.15 -1.93 0.00 0.00 178.83 179.23 1ylm h THR 120 N 1.00 1.11 -1.00 2.39 2.02 -1.87 0.61 112.91 117.17 1ylm h THR 120 Ca 0.20 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1ylm h THR 120 Cb 0.40 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 1ylm h THR 120 CO 0.01 0.10 0.66 0.00 0.37 0.00 0.00 175.52 176.66 1ylm h ALA 121 N 1.00 1.27 0.05 6.16 0.00 -1.89 -0.90 119.26 124.95 1ylm h ALA 121 Ca 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ylm h ALA 121 Cb 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1ylm h ALA 121 CO -0.01 0.66 -0.02 -0.07 0.00 0.00 0.00 179.25 179.81 1ylm h LEU 122 N 1.36 -0.05 -1.29 0.00 3.38 -0.80 -1.63 115.31 116.27 1ylm h LEU 122 Ca 0.37 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.39 1ylm h LEU 122 Cb -0.15 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1ylm h LEU 122 CO -0.08 -0.03 0.52 1.56 0.09 0.00 0.00 178.44 180.50 1ylm h GLN 123 N -0.07 0.84 0.00 1.13 4.20 -0.61 -2.57 115.11 118.03 1ylm h GLN 123 Ca -0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1ylm h GLN 123 Cb 0.06 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1ylm h GLN 123 CO 0.01 0.56 0.00 -0.44 -0.67 0.00 0.00 178.83 178.29 1ylm h ASP 124 N 0.87 0.00 -0.15 1.46 3.32 -0.92 -3.38 116.42 117.62 1ylm h ASP 124 Ca 0.34 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.43 1ylm h ASP 124 Cb 0.22 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1ylm h ASP 124 CO -0.12 0.00 -0.11 0.15 -1.72 0.00 0.00 179.24 177.44 1ylm h PHE 125 N 0.00 -0.26 -0.93 4.55 3.57 -0.87 -1.05 116.94 121.95 1ylm h PHE 125 Ca 0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1ylm h PHE 125 Cb 0.91 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.74 1ylm h PHE 125 CO 0.00 -0.16 0.61 -1.35 -2.23 0.00 0.00 178.31 175.18 1ylm h PRO 126 N -0.11 1.15 -0.24 6.41 0.11 -1.75 -1.62 132.00 135.95 1ylm h PRO 126 Ca 0.09 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.15 1ylm h PRO 126 Cb 0.25 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 1ylm h PRO 126 CO -0.22 0.76 0.13 0.87 -0.21 0.00 0.00 178.00 179.33 1ylm h LYS 127 N 1.19 0.27 -0.31 1.05 1.57 -1.61 -0.30 116.57 118.43 1ylm h LYS 127 Ca 0.36 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.16 1ylm h LYS 127 Cb -0.02 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1ylm h LYS 127 CO -0.11 0.18 0.10 0.00 -0.57 0.00 0.00 179.45 179.05 1ylm h ARG 128 N 0.28 0.23 -0.22 3.15 2.47 -0.84 -0.70 114.38 118.74 1ylm h ARG 128 Ca 0.10 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1ylm h ARG 128 Cb 0.01 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 1ylm h ARG 128 CO -0.06 0.15 0.13 0.82 0.56 0.00 0.00 179.97 181.57 1ylm h ILE 129 N 0.23 1.09 -0.70 2.04 1.08 -1.10 -2.09 117.51 118.05 1ylm h ILE 129 Ca 0.14 -0.21 -0.04 0.00 -0.39 0.00 0.00 64.86 64.35 1ylm h ILE 129 Cb 0.11 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 1ylm h ILE 129 CO -0.15 0.08 0.29 0.03 -0.69 0.00 0.00 178.15 177.71 1ylm h ARG 130 N 0.26 1.05 -0.63 2.37 3.08 -0.87 -0.70 114.38 118.94 1ylm h ARG 130 Ca 0.08 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1ylm h ARG 130 Cb 0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 1ylm h ARG 130 CO -0.01 0.86 0.39 0.77 -1.07 0.00 0.00 179.97 180.91 1ylm h SER 131 N 1.00 0.75 -0.21 7.04 0.02 -1.04 0.31 113.55 121.42 1ylm h SER 131 Ca 0.23 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1ylm h SER 131 Cb 0.20 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1ylm h SER 131 CO -0.02 0.58 0.11 0.22 -1.14 0.00 0.00 176.83 176.58 1ylm h TYR 132 N 0.86 0.29 -0.30 3.45 3.20 -1.11 0.29 116.97 123.65 1ylm h TYR 132 Ca 0.23 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.13 1ylm h TYR 132 Cb -0.05 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1ylm h TYR 132 CO -0.02 0.27 0.09 -0.07 -1.64 0.00 0.00 178.16 176.79 1ylm h LEU 133 N 0.22 0.08 -0.62 2.82 3.38 -0.87 -0.63 115.31 119.69 1ylm h LEU 133 Ca 0.07 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1ylm h LEU 133 Cb 0.08 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1ylm h LEU 133 CO -0.01 0.08 0.18 -0.33 0.09 0.00 0.00 178.44 178.45 1ylm h GLU 134 N 0.22 0.98 -0.52 1.13 5.08 -0.77 0.16 114.58 120.86 1ylm h GLU 134 Ca 0.14 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1ylm h GLU 134 Cb 0.12 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1ylm h GLU 134 CO -0.15 0.88 -0.01 1.15 -1.00 0.00 0.00 179.01 179.88 1ylm h THR 135 N 0.90 1.26 0.00 1.13 2.02 -0.72 -0.39 112.91 117.12 1ylm h THR 135 Ca 0.20 -1.10 -0.30 0.00 0.77 0.00 0.00 66.41 65.98 1ylm h THR 135 Cb 0.32 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1ylm h THR 135 CO -0.00 0.39 -1.74 -0.62 0.37 0.00 0.00 175.52 173.91 1ylm n GLU 136 N -4.29 0.64 -0.00 6.66 -0.58 -0.26 -4.45 120.64 118.36 1ylm n GLU 136 Ca 0.01 0.29 0.02 0.00 -0.42 0.00 0.00 57.16 57.05 1ylm n GLU 136 Cb 0.33 -1.78 -0.02 0.00 -0.57 0.00 0.00 31.44 29.40 1ylm n GLU 136 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ylm n LEU 137 N -3.05 0.15 0.00 -4.62 4.77 0.54 -5.08 117.00 109.70 1ylm n LEU 137 Ca -0.18 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1ylm n LEU 137 Cb 1.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 1ylm n LEU 137 CO 0.45 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1ylm n GLY 138 N 1.17 -2.16 0.10 -0.72 0.00 -0.16 -4.29 105.19 99.14 1ylm n GLY 138 Ca 0.01 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.16 0.21 0.00 1.61 -0.04 -1.26 -4.16 135.00 131.20 1ylm n PRO 139 Ca 0.00 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1ylm n PRO 139 Cb 0.00 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 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 -2.18 0.00 -3.43 0.52 0.31 -1.26 -5.06 118.33 107.23 1ylm n VAL 140 Ca 0.04 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.07 1ylm n VAL 140 Cb 0.34 -0.42 -0.04 0.00 -0.91 0.00 0.00 33.84 32.81 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 -3.90 6.54 0.14 4.52 0.15 -1.26 -4.99 113.70 114.89 1ylm s SER 141 Ca 0.00 0.79 0.26 0.00 0.70 0.00 0.00 55.95 57.70 1ylm s SER 141 Cb 0.00 -2.17 0.75 0.00 -1.71 0.00 0.00 66.02 62.88 1ylm s SER 141 CO 0.00 -0.09 1.66 0.00 1.20 0.00 0.00 173.24 176.01 1ylm n ALA 142 N -0.37 2.54 -0.03 5.45 0.00 -1.26 -4.78 120.51 122.07 1ylm n ALA 142 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1ylm n ALA 142 Cb 0.53 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1ylm n ALA 142 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69