#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yum s LYS 3 N 0.00 3.83 -0.20 1.61 1.02 -1.26 -4.89 119.74 119.85 1yum s LYS 3 Ca 0.00 0.74 0.01 0.00 0.02 0.00 0.00 55.97 56.74 1yum s LYS 3 Cb 0.00 -2.22 0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1yum s LYS 3 CO 0.00 -0.24 -0.14 1.03 -0.92 0.00 0.00 175.35 175.08 1yum s ARG 4 N -4.20 2.39 -0.05 1.68 0.52 -1.26 -0.36 118.95 117.67 1yum s ARG 4 Ca 0.55 -0.89 0.01 0.00 -0.52 0.00 0.00 55.73 54.88 1yum s ARG 4 Cb -0.10 -2.50 0.02 0.00 0.52 0.00 0.00 34.95 32.89 1yum s ARG 4 CO 0.35 -0.36 -0.05 0.42 0.02 0.00 0.00 175.30 175.68 1yum s ILE 5 N 1.32 0.58 0.09 1.52 1.01 -0.76 0.13 121.20 125.10 1yum s ILE 5 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.53 1yum s ILE 5 Cb -0.15 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 1yum s ILE 5 CO -0.09 0.24 0.20 -0.83 0.00 0.00 0.00 174.94 174.46 1yum s GLY 6 N 1.01 2.01 -0.13 6.18 0.00 0.01 -0.93 107.32 115.47 1yum s GLY 6 Ca -0.09 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 43.71 1yum s GLY 6 CO -0.00 -0.93 -0.22 1.08 0.00 0.00 0.00 173.10 173.03 1yum s LEU 7 N -2.71 2.14 -0.39 0.66 1.43 0.18 -0.74 118.68 119.25 1yum s LEU 7 Ca 0.34 -0.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 1yum s LEU 7 Cb -0.12 -1.45 0.11 0.00 0.03 0.00 0.00 46.19 44.76 1yum s LEU 7 CO 0.27 0.10 0.13 0.12 0.23 0.00 0.00 176.35 177.20 1yum s PHE 8 N 0.68 3.10 0.38 0.29 5.36 -0.12 -0.95 117.98 126.72 1yum s PHE 8 Ca -0.10 -2.79 -0.24 0.00 -0.96 0.00 0.00 56.93 52.84 1yum s PHE 8 Cb -0.16 -2.60 -0.10 0.00 -0.34 0.00 0.00 43.02 39.82 1yum s PHE 8 CO 0.01 -0.87 0.97 0.20 -1.46 0.00 0.00 175.22 174.08 1yum s GLY 9 N 0.65 2.66 0.11 13.12 0.00 -1.26 0.18 107.32 122.78 1yum s GLY 9 Ca 0.13 0.54 -0.26 0.00 0.00 0.00 0.00 44.72 45.13 1yum s GLY 9 CO -0.08 0.93 0.82 -0.32 0.00 0.00 0.00 173.10 174.44 1yum s GLY 10 N -1.77 -0.40 0.08 0.20 0.00 -1.05 -4.86 107.32 99.52 1yum s GLY 10 Ca 0.56 0.52 -0.10 0.00 0.00 0.00 0.00 44.72 45.69 1yum s GLY 10 CO 0.22 0.16 1.18 0.00 0.00 0.00 0.00 173.10 174.66 1yum h THR 11 N 2.00 1.34 -5.89 0.90 1.03 -1.89 0.61 112.91 111.00 1yum h THR 11 Ca -0.25 -2.50 -0.21 0.00 -0.01 0.00 0.00 66.41 63.44 1yum h THR 11 Cb 1.26 2.60 0.02 0.00 -1.07 0.00 0.00 68.15 70.96 1yum h THR 11 CO 0.30 0.75 -0.48 0.49 -0.01 0.00 0.00 175.52 176.58 1yum n PHE 12 N -3.76 -2.56 -3.18 0.00 0.99 -1.26 -4.60 117.46 103.10 1yum n PHE 12 Ca -0.11 0.96 -0.24 0.00 -0.00 0.00 0.00 57.45 58.06 1yum n PHE 12 Cb 0.93 -3.63 -0.05 0.00 -1.00 0.00 0.00 39.48 35.73 1yum n PHE 12 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1yum n ASP 13 N -2.20 2.28 -5.00 4.37 2.03 -1.26 -3.00 116.55 113.77 1yum n ASP 13 Ca -0.11 -3.21 -0.18 0.00 0.52 0.00 0.00 54.79 51.81 1yum n ASP 13 Cb 0.58 -0.62 0.02 0.00 -0.72 0.00 0.00 41.12 40.37 1yum n ASP 13 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1yum s PRO 14 N -2.41 2.74 0.22 -0.67 0.04 -1.26 -4.76 135.00 128.90 1yum s PRO 14 Ca 0.41 -1.09 -0.32 0.00 0.04 0.00 0.00 61.00 60.04 1yum s PRO 14 Cb 0.24 -2.67 -0.14 0.00 0.04 0.00 0.00 34.50 31.97 1yum s PRO 14 CO -0.09 -0.41 1.33 1.55 0.04 0.00 0.00 177.00 179.42 1yum n VAL 15 N -2.01 0.94 -4.20 -0.36 3.14 -1.16 -4.75 118.33 109.94 1yum n VAL 15 Ca 0.08 -0.24 -0.11 0.00 -2.96 0.00 0.00 64.34 61.11 1yum n VAL 15 Cb 0.59 -1.27 -0.04 0.00 -1.06 0.00 0.00 33.84 32.06 1yum n VAL 15 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yum n HIS 16 N 1.76 -0.16 0.66 1.45 1.44 -1.26 -4.70 115.22 114.41 1yum n HIS 16 Ca 0.13 -1.37 0.13 0.00 -2.01 0.00 0.00 57.72 54.59 1yum n HIS 16 Cb 0.29 0.07 0.42 0.00 0.12 0.00 0.00 29.99 30.90 1yum n HIS 16 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1yum n ILE 17 N -0.39 0.53 0.16 0.61 -5.35 -0.65 -2.06 119.36 112.21 1yum n ILE 17 Ca 0.00 -0.26 -0.14 0.00 -0.27 0.00 0.00 62.75 62.09 1yum n ILE 17 Cb 0.31 -0.57 -0.08 0.00 -1.74 0.00 0.00 39.64 37.56 1yum n ILE 17 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1yum h GLY 18 N 4.57 -0.39 1.18 3.28 0.00 -1.85 -1.81 103.07 108.05 1yum h GLY 18 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1yum h GLY 18 CO 0.00 -0.14 0.35 0.45 0.00 0.00 0.00 176.54 177.20 1yum h HIS 19 N -0.51 1.05 0.04 5.60 3.86 -1.88 -2.38 115.15 120.93 1yum h HIS 19 Ca -0.04 -0.04 -0.25 0.00 -1.16 0.00 0.00 60.37 58.88 1yum h HIS 19 Cb 0.38 -0.33 0.01 0.00 1.06 0.00 0.00 27.41 28.53 1yum h HIS 19 CO -0.02 0.77 -1.05 0.52 0.86 0.00 0.00 177.93 179.01 1yum h MET 20 N 1.05 0.42 -0.56 2.45 2.86 -1.35 -0.58 114.93 119.23 1yum h MET 20 Ca 0.26 -0.51 -0.05 0.00 -2.06 0.00 0.00 59.70 57.34 1yum h MET 20 Cb 0.11 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1yum h MET 20 CO -0.03 1.18 0.17 0.00 1.06 0.00 0.00 176.91 179.28 1yum h ARG 21 N 0.21 0.88 -0.27 1.72 2.47 -1.34 0.65 114.38 118.71 1yum h ARG 21 Ca -0.11 -0.20 0.06 0.00 -1.26 0.00 0.00 59.98 58.48 1yum h ARG 21 Cb 1.71 -0.12 -0.06 0.00 -1.65 0.00 0.00 29.97 29.84 1yum h ARG 21 CO 0.18 0.81 -0.16 0.77 0.56 0.00 0.00 179.97 182.13 1yum h SER 22 N 0.79 -0.52 -0.00 7.04 0.02 -1.27 0.48 113.55 120.09 1yum h SER 22 Ca 0.18 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1yum h SER 22 Cb 0.30 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1yum h SER 22 CO -0.00 -0.20 -0.07 0.00 -1.14 0.00 0.00 176.83 175.42 1yum h ALA 23 N 1.05 1.66 -0.05 3.77 0.00 -0.71 -0.06 119.26 124.92 1yum h ALA 23 Ca 0.14 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1yum h ALA 23 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1yum h ALA 23 CO -0.35 0.26 -0.25 0.28 0.00 0.00 0.00 179.25 179.18 1yum h VAL 24 N 0.18 1.45 -0.68 0.00 2.07 0.38 -2.21 116.25 117.44 1yum h VAL 24 Ca 0.04 -1.69 0.03 0.00 0.82 0.00 0.00 66.70 65.90 1yum h VAL 24 Cb 0.25 2.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 1yum h VAL 24 CO 0.01 0.48 0.41 -0.33 0.02 0.00 0.00 177.57 178.16 1yum h GLU 25 N -0.26 0.78 -0.77 1.57 5.08 -0.85 -2.07 114.58 118.06 1yum h GLU 25 Ca -0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1yum h GLU 25 Cb 0.91 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 1yum h GLU 25 CO 0.05 0.52 0.40 1.98 -1.00 0.00 0.00 179.01 180.96 1yum h MET 26 N 0.80 1.10 -0.63 2.33 4.05 -0.98 -1.28 114.93 120.32 1yum h MET 26 Ca 0.28 -0.14 -0.03 0.00 -0.28 0.00 0.00 59.70 59.53 1yum h MET 26 Cb 0.05 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 30.61 1yum h MET 26 CO -0.12 0.83 0.29 0.00 0.23 0.00 0.00 176.91 178.14 1yum h ALA 27 N 1.21 0.81 0.77 0.39 0.00 -1.08 -1.93 119.26 119.42 1yum h ALA 27 Ca 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1yum h ALA 27 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1yum h ALA 27 CO -0.04 0.38 -0.50 0.93 0.00 0.00 0.00 179.25 180.02 1yum h GLU 28 N 0.86 -1.15 -0.62 0.00 5.08 -1.19 0.30 114.58 117.86 1yum h GLU 28 Ca 0.21 0.08 0.12 0.00 -1.00 0.00 0.00 59.36 58.77 1yum h GLU 28 Cb 0.14 0.26 -0.12 0.00 0.50 0.00 0.00 28.75 29.53 1yum h GLU 28 CO -0.02 -0.77 -0.27 0.37 -1.00 0.00 0.00 179.01 177.32 1yum h GLN 29 N -1.20 -0.10 -0.07 2.33 4.15 -1.17 -1.88 115.11 117.16 1yum h GLN 29 Ca -0.10 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1yum h GLN 29 Cb 0.97 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.68 1yum h GLN 29 CO 0.09 -0.07 0.00 1.19 -1.93 0.00 0.00 178.83 178.11 1yum n PHE 30 N -5.44 0.08 -3.75 3.99 3.01 -0.73 -4.92 117.46 109.69 1yum n PHE 30 Ca 0.06 -0.04 -0.24 0.00 1.01 0.00 0.00 57.45 58.24 1yum n PHE 30 Cb 0.35 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.86 1yum n PHE 30 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yum n ALA 31 N 0.23 -1.76 -2.31 4.37 0.00 0.01 -4.88 120.51 116.17 1yum n ALA 31 Ca 0.18 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 1yum n ALA 31 Cb 0.35 -2.89 -0.03 0.00 0.00 0.00 0.00 19.45 16.88 1yum n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yum s LEU 32 N -6.88 4.42 0.49 0.00 1.43 -0.67 -4.79 118.68 112.67 1yum s LEU 32 Ca 0.23 2.01 0.27 0.00 -1.03 0.00 0.00 54.13 55.61 1yum s LEU 32 Cb -0.11 -3.59 1.17 0.00 0.03 0.00 0.00 46.19 43.69 1yum s LEU 32 CO 0.81 -0.35 1.93 0.44 0.23 0.00 0.00 176.35 179.41 1yum h ASP 33 N 6.11 0.00 -2.87 2.29 3.32 0.75 -3.45 116.42 122.57 1yum h ASP 33 Ca -0.43 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.64 1yum h ASP 33 Cb 1.21 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.55 1yum h ASP 33 CO 0.77 0.16 -0.02 -0.70 -1.72 0.00 0.00 179.24 177.72 1yum s GLU 34 N -3.81 0.67 -0.21 3.56 2.12 -0.95 -4.57 118.70 115.51 1yum s GLU 34 Ca -0.00 1.23 -0.01 0.00 0.36 0.00 0.00 54.97 56.55 1yum s GLU 34 Cb 0.11 0.23 0.01 0.00 0.26 0.00 0.00 34.13 34.74 1yum s GLU 34 CO 0.60 -0.16 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.88 1yum s LEU 35 N 1.81 2.67 -0.32 2.70 2.96 0.31 -0.81 118.68 127.99 1yum s LEU 35 Ca -0.09 -0.62 -0.11 0.00 -0.22 0.00 0.00 54.13 53.08 1yum s LEU 35 Cb -0.06 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 1yum s LEU 35 CO -0.19 -0.04 0.19 -0.13 -1.32 0.00 0.00 176.35 174.85 1yum s ARG 36 N 1.36 3.39 0.08 1.98 0.52 0.08 -0.90 118.95 125.46 1yum s ARG 36 Ca 0.04 -0.70 -0.31 0.00 -0.52 0.00 0.00 55.73 54.24 1yum s ARG 36 Cb -0.14 -3.66 -0.06 0.00 0.52 0.00 0.00 34.95 31.61 1yum s ARG 36 CO -0.07 -0.43 1.24 -0.51 0.02 0.00 0.00 175.30 175.54 1yum s LEU 37 N 1.65 4.37 -0.49 2.53 1.02 0.42 -0.94 118.68 127.24 1yum s LEU 37 Ca 0.05 2.09 0.04 0.00 0.02 0.00 0.00 54.13 56.32 1yum s LEU 37 Cb -0.17 -3.58 0.13 0.00 0.02 0.00 0.00 46.19 42.59 1yum s LEU 37 CO 0.08 -0.50 0.25 -0.22 0.02 0.00 0.00 176.35 175.97 1yum s LEU 38 N 1.02 3.95 0.30 1.79 2.96 0.13 0.19 118.68 129.02 1yum s LEU 38 Ca 0.60 -2.89 -0.29 0.00 -0.22 0.00 0.00 54.13 51.32 1yum s LEU 38 Cb -0.31 -1.50 -0.10 0.00 0.50 0.00 0.00 46.19 44.78 1yum s LEU 38 CO 0.30 -0.24 1.39 -2.84 -1.32 0.00 0.00 176.35 173.63 1yum s PRO 39 N -0.10 4.28 0.27 0.98 0.02 -1.26 -2.53 135.00 136.67 1yum s PRO 39 Ca 0.17 2.30 -0.29 0.00 0.02 0.00 0.00 61.00 63.20 1yum s PRO 39 Cb -0.25 -3.08 -0.09 0.00 0.02 0.00 0.00 34.50 31.09 1yum s PRO 39 CO -0.00 -0.34 0.97 -0.80 -0.33 0.00 0.00 177.00 176.50 1yum s ASN 40 N -0.03 7.49 0.26 2.53 0.02 0.21 -4.58 114.94 120.85 1yum s ASN 40 Ca 0.54 1.99 -0.20 0.00 -1.02 0.00 0.00 52.86 54.17 1yum s ASN 40 Cb -0.42 -2.61 -0.09 0.00 0.02 0.00 0.00 41.25 38.16 1yum s ASN 40 CO 0.49 0.04 0.77 0.00 0.02 0.00 0.00 177.10 178.42 1yum s ALA 41 N -1.28 3.35 0.16 0.60 0.00 -1.26 -4.88 121.76 118.45 1yum s ALA 41 Ca 0.44 0.22 -0.10 0.00 0.00 0.00 0.00 51.96 52.51 1yum s ALA 41 Cb -0.26 -2.89 -0.00 0.00 0.00 0.00 0.00 23.12 19.98 1yum s ALA 41 CO 0.32 0.29 0.31 -0.98 0.00 0.00 0.00 175.76 175.70 1yum s ARG 42 N -2.20 1.15 0.78 0.00 1.70 -1.26 -4.71 118.95 114.40 1yum s ARG 42 Ca 0.47 -1.10 -0.13 0.00 -0.47 0.00 0.00 55.73 54.49 1yum s ARG 42 Cb -0.16 0.39 0.07 0.00 -0.57 0.00 0.00 34.95 34.68 1yum s ARG 42 CO 0.20 -0.43 1.18 -2.14 -1.08 0.00 0.00 175.30 173.04 1yum s PRO 43 N -3.94 1.90 0.27 3.89 0.02 -1.26 -4.80 135.00 131.07 1yum s PRO 43 Ca 0.14 1.65 -0.01 0.00 0.02 0.00 0.00 61.00 62.80 1yum s PRO 43 Cb 0.03 -1.82 0.50 0.00 0.02 0.00 0.00 34.50 33.23 1yum s PRO 43 CO -0.02 -1.99 1.82 -1.35 -0.33 0.00 0.00 177.00 175.13 1yum h PRO 44 N -0.74 0.87 0.00 5.54 0.11 -2.01 -1.21 132.00 134.57 1yum h PRO 44 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1yum h PRO 44 Cb 1.28 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1yum h PRO 44 CO 0.48 0.58 0.00 -2.39 -0.21 0.00 0.00 178.00 176.46 1yum n HIS 45 N -4.68 0.00 1.26 0.65 1.44 -1.26 -1.50 115.22 111.14 1yum n HIS 45 Ca 0.17 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.01 1yum n HIS 45 Cb 0.34 -0.27 0.35 0.00 0.12 0.00 0.00 29.99 30.53 1yum n HIS 45 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1yum n ARG 46 N -1.27 1.16 -1.61 -1.40 5.12 -0.46 -4.94 116.66 113.26 1yum n ARG 46 Ca 0.10 -0.74 -0.30 0.00 -1.93 0.00 0.00 57.85 54.98 1yum n ARG 46 Cb 0.16 -1.48 0.08 0.00 -1.16 0.00 0.00 32.46 30.06 1yum n ARG 46 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1yum s GLU 47 N -2.35 2.24 0.17 5.56 0.41 -0.56 -4.97 118.70 119.20 1yum s GLU 47 Ca 0.27 0.62 -0.31 0.00 -0.41 0.00 0.00 54.97 55.15 1yum s GLU 47 Cb 0.20 -1.94 -0.09 0.00 -1.78 0.00 0.00 34.13 30.52 1yum s GLU 47 CO 0.47 -1.50 1.43 0.99 -0.49 0.00 0.00 175.26 176.15 1yum s THR 48 N -3.18 2.99 0.03 3.63 2.01 -1.25 -4.92 115.64 114.95 1yum s THR 48 Ca 0.60 0.75 -0.37 0.00 0.31 0.00 0.00 61.69 62.98 1yum s THR 48 Cb -0.14 -3.48 -0.16 0.00 0.01 0.00 0.00 72.50 68.73 1yum s THR 48 CO 0.54 0.08 1.41 -2.65 -0.69 0.00 0.00 174.62 173.31 1yum n PRO 49 N 3.38 1.16 -1.29 4.92 -0.02 -1.26 -0.23 135.00 141.65 1yum n PRO 49 Ca 0.10 0.42 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 1yum n PRO 49 Cb 0.41 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 1yum n PRO 49 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1yum n GLN 50 N 3.01 -1.27 -3.78 -0.52 1.13 -1.26 -4.79 117.38 109.90 1yum n GLN 50 Ca 0.20 0.81 -0.30 0.00 -1.94 0.00 0.00 57.00 55.77 1yum n GLN 50 Cb 0.18 -4.98 -0.15 0.00 0.11 0.00 0.00 30.24 25.40 1yum n GLN 50 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1yum s VAL 51 N -2.09 1.04 0.60 5.09 1.01 0.68 -4.78 120.40 121.94 1yum s VAL 51 Ca 0.00 -1.44 -0.14 0.00 0.00 0.00 0.00 61.98 60.40 1yum s VAL 51 Cb 0.00 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1yum s VAL 51 CO 0.00 -0.61 1.03 -0.94 0.00 0.00 0.00 175.10 174.59 1yum s SER 52 N 1.54 6.00 0.26 3.32 1.04 -1.26 -3.76 113.70 120.84 1yum s SER 52 Ca 0.08 1.63 -0.02 0.00 0.48 0.00 0.00 55.95 58.12 1yum s SER 52 Cb -0.17 -2.51 0.44 0.00 0.10 0.00 0.00 66.02 63.88 1yum s SER 52 CO -0.21 -1.02 1.84 0.00 0.98 0.00 0.00 173.24 174.83 1yum h ALA 53 N 0.16 1.34 -0.98 5.32 0.00 -1.97 0.17 119.26 123.30 1yum h ALA 53 Ca -0.46 0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.61 1yum h ALA 53 Cb 1.20 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 1yum h ALA 53 CO 0.59 0.24 0.60 0.00 0.00 0.00 0.00 179.25 180.68 1yum h ALA 54 N 1.48 1.52 0.03 0.00 0.00 -1.98 0.19 119.26 120.50 1yum h ALA 54 Ca 0.44 0.05 -0.22 0.00 0.00 0.00 0.00 54.91 55.18 1yum h ALA 54 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1yum h ALA 54 CO -0.23 0.10 -0.99 1.96 0.00 0.00 0.00 179.25 180.09 1yum h GLN 55 N 0.87 0.18 -0.56 0.00 4.20 -1.60 0.56 115.11 118.76 1yum h GLN 55 Ca 0.52 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.93 1yum h GLN 55 Cb 0.63 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1yum h GLN 55 CO -0.31 1.03 0.15 0.00 -0.67 0.00 0.00 178.83 179.03 1yum h ARG 56 N 0.08 0.89 -0.45 1.46 3.08 0.53 -2.13 114.38 117.84 1yum h ARG 56 Ca -0.06 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.67 1yum h ARG 56 Cb 1.67 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.58 1yum h ARG 56 CO 0.15 0.82 -0.18 1.25 -1.07 0.00 0.00 179.97 180.95 1yum h LEU 57 N 0.80 0.88 -1.14 3.04 5.85 -0.47 -2.61 115.31 121.66 1yum h LEU 57 Ca 0.18 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1yum h LEU 57 Cb 0.32 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1yum h LEU 57 CO -0.00 1.05 0.59 0.00 -0.34 0.00 0.00 178.44 179.73 1yum h ALA 58 N 1.02 1.42 -0.25 1.25 0.00 0.26 -1.99 119.26 120.98 1yum h ALA 58 Ca 0.11 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1yum h ALA 58 Cb 0.71 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1yum h ALA 58 CO 0.05 0.50 -0.40 0.52 0.00 0.00 0.00 179.25 179.92 1yum h MET 59 N 1.14 0.58 -0.02 0.00 2.86 -1.22 -1.67 114.93 116.60 1yum h MET 59 Ca 0.35 -0.30 -0.15 0.00 -2.06 0.00 0.00 59.70 57.54 1yum h MET 59 Cb -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1yum h MET 59 CO -0.10 0.88 -0.68 0.28 1.06 0.00 0.00 176.91 178.35 1yum h VAL 60 N 0.48 1.45 -0.56 -2.22 2.07 -1.10 -0.72 116.25 115.65 1yum h VAL 60 Ca 0.04 -2.24 -0.04 0.00 0.82 0.00 0.00 66.70 65.28 1yum h VAL 60 Cb 0.91 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 1yum h VAL 60 CO 0.08 0.65 0.21 -0.33 0.02 0.00 0.00 177.57 178.20 1yum h GLU 61 N 0.08 0.85 -0.44 1.57 5.08 -1.21 -2.44 114.58 118.07 1yum h GLU 61 Ca -0.01 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1yum h GLU 61 Cb 1.21 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1yum h GLU 61 CO 0.10 0.75 0.02 0.00 -1.00 0.00 0.00 179.01 178.88 1yum h ARG 62 N 0.78 0.70 -0.24 2.33 2.47 -0.87 -2.07 114.38 117.48 1yum h ARG 62 Ca 0.19 -0.17 -0.06 0.00 -1.26 0.00 0.00 59.98 58.68 1yum h ARG 62 Cb 0.23 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 1yum h ARG 62 CO -0.01 0.70 -0.13 0.00 0.56 0.00 0.00 179.97 181.09 1yum h ALA 63 N 1.36 1.35 -0.01 0.04 0.00 -0.79 -3.13 119.26 118.08 1yum h ALA 63 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1yum h ALA 63 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1yum h ALA 63 CO 0.01 0.44 -0.70 1.33 0.00 0.00 0.00 179.25 180.33 1yum n VAL 64 N -4.23 0.00 -1.67 0.00 0.24 -0.95 -4.87 118.33 106.85 1yum n VAL 64 Ca 0.00 -0.15 -0.46 0.00 -2.04 0.00 0.00 64.34 61.69 1yum n VAL 64 Cb 0.30 1.11 -0.04 0.00 -1.47 0.00 0.00 33.84 33.75 1yum n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yum n ALA 65 N -0.79 1.39 -1.12 2.33 0.00 -0.80 -1.03 120.51 120.49 1yum n ALA 65 Ca 0.06 0.44 -0.04 0.00 0.00 0.00 0.00 53.44 53.90 1yum n ALA 65 Cb 0.37 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.45 1yum n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yum n GLY 66 N 3.26 0.59 3.14 0.00 0.00 -1.26 -4.94 105.19 105.98 1yum n GLY 66 Ca 0.16 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1yum n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yum s VAL 67 N -1.80 3.61 0.73 1.61 1.01 -0.20 -5.08 120.40 120.29 1yum s VAL 67 Ca 0.00 -2.08 -0.15 0.00 0.00 0.00 0.00 61.98 59.75 1yum s VAL 67 Cb 0.00 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 32.99 1yum s VAL 67 CO 0.00 -0.74 1.21 -1.84 0.00 0.00 0.00 175.10 173.73 1yum n GLU 68 N 4.57 0.59 0.00 2.72 0.00 -1.26 -2.20 120.64 125.05 1yum n GLU 68 Ca -0.03 0.27 0.00 0.00 0.00 0.00 0.00 57.16 57.40 1yum n GLU 68 Cb 0.41 -2.45 0.00 0.00 0.00 0.00 0.00 31.44 29.40 1yum n GLU 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1yum n ARG 69 N -2.54 0.00 -4.36 3.44 1.74 -1.26 -4.95 116.66 108.72 1yum n ARG 69 Ca 0.14 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.89 1yum n ARG 69 Cb 0.49 -1.52 -0.13 0.00 -1.02 0.00 0.00 32.46 30.29 1yum n ARG 69 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1yum s LEU 70 N 0.00 3.15 0.31 0.55 1.43 -0.94 0.11 118.68 123.29 1yum s LEU 70 Ca 0.00 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1yum s LEU 70 Cb 0.00 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1yum s LEU 70 CO 0.00 0.14 0.18 0.42 0.23 0.00 0.00 176.35 177.32 1yum s THR 71 N 0.55 0.22 0.09 5.49 -4.23 -0.08 -4.77 115.64 112.92 1yum s THR 71 Ca -0.03 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.57 1yum s THR 71 Cb -0.14 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.17 1yum s THR 71 CO 0.03 0.00 -0.24 0.54 -0.54 0.00 0.00 174.62 174.41 1yum s VAL 72 N -3.60 1.99 -0.39 2.29 0.11 -1.26 -0.44 120.40 119.10 1yum s VAL 72 Ca 0.36 -1.53 -0.06 0.00 -2.93 0.00 0.00 61.98 57.82 1yum s VAL 72 Cb 0.04 -1.75 0.08 0.00 -1.53 0.00 0.00 36.38 33.22 1yum s VAL 72 CO 0.19 0.12 0.19 -0.62 -3.33 0.00 0.00 175.10 171.65 1yum s ASP 73 N -1.71 5.38 0.00 3.54 3.68 0.13 -4.83 116.67 122.86 1yum s ASP 73 Ca 0.10 -1.57 0.07 0.00 2.13 0.00 0.00 52.55 53.29 1yum s ASP 73 Cb -0.10 -1.89 0.43 0.00 -1.45 0.00 0.00 42.92 39.92 1yum s ASP 73 CO 0.04 -0.47 1.26 -0.81 0.13 0.00 0.00 175.17 175.32 1yum n PRO 74 N 4.77 0.98 0.24 4.34 -0.04 -1.26 -4.13 135.00 139.89 1yum n PRO 74 Ca -0.09 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.49 1yum n PRO 74 Cb 0.43 -1.12 0.50 0.00 -0.04 0.00 0.00 33.50 33.27 1yum n PRO 74 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 1yum h ARG 75 N 0.00 0.00 0.00 0.54 0.11 -1.94 -0.50 114.38 112.59 1yum h ARG 75 Ca 0.00 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 1yum h ARG 75 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1yum h ARG 75 CO 0.00 0.16 -0.23 0.93 0.10 0.00 0.00 179.97 180.92 1yum h GLU 76 N 0.00 0.00 0.04 0.08 5.08 -1.83 -3.04 114.58 114.91 1yum h GLU 76 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1yum h GLU 76 Cb 0.70 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1yum h GLU 76 CO 0.02 0.23 -1.06 -0.07 -1.00 0.00 0.00 179.01 177.13 1yum h LEU 77 N 0.00 0.16 -0.08 1.33 3.38 -1.34 -3.22 115.31 115.55 1yum h LEU 77 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1yum h LEU 77 Cb 0.76 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1yum h LEU 77 CO 0.03 1.11 0.00 0.00 0.09 0.00 0.00 178.44 179.67 1yum n GLN 78 N -3.45 0.03 -3.48 1.13 1.13 -1.08 -4.60 117.38 107.06 1yum n GLN 78 Ca -0.03 0.25 -0.24 0.00 -1.94 0.00 0.00 57.00 55.04 1yum n GLN 78 Cb 0.95 -1.55 -0.02 0.00 0.11 0.00 0.00 30.24 29.74 1yum n GLN 78 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1yum s ARG 79 N -3.04 3.49 0.00 -1.09 0.52 -1.21 -5.11 118.95 112.52 1yum s ARG 79 Ca 0.07 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.92 1yum s ARG 79 Cb 0.10 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.87 1yum s ARG 79 CO 0.31 0.21 0.00 -0.40 0.02 0.00 0.00 175.30 175.44 1yum n ASP 80 N -1.57 0.00 -4.43 0.23 5.75 -1.26 -4.88 116.55 110.39 1yum n ASP 80 Ca -0.05 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.37 1yum n ASP 80 Cb 0.56 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.72 1yum n ASP 80 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1yum n LYS 81 N 0.00 0.24 0.00 0.11 4.81 -1.26 -4.76 118.16 117.30 1yum n LYS 81 Ca 0.00 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1yum n LYS 81 Cb 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.31 1yum n LYS 81 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1yum n PRO 82 N -0.48 0.00 -3.83 1.64 -0.02 -1.26 -4.99 135.00 126.07 1yum n PRO 82 Ca 0.09 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.25 1yum n PRO 82 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.94 1yum n PRO 82 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1yum s SER 83 N 0.00 6.42 -0.03 2.55 0.01 -1.26 -5.10 113.70 116.29 1yum s SER 83 Ca 0.00 0.41 -0.14 0.00 1.31 0.00 0.00 55.95 57.52 1yum s SER 83 Cb 0.00 -2.02 -0.05 0.00 0.21 0.00 0.00 66.02 64.16 1yum s SER 83 CO 0.00 0.15 0.39 -0.31 0.41 0.00 0.00 173.24 173.88 1yum s TYR 84 N -1.51 3.68 0.49 2.43 1.51 -1.26 -4.96 117.35 117.73 1yum s TYR 84 Ca 0.35 0.92 0.19 0.00 -1.01 0.00 0.00 57.07 57.52 1yum s TYR 84 Cb -0.13 -2.29 1.23 0.00 -0.11 0.00 0.00 41.96 40.66 1yum s TYR 84 CO 0.25 0.58 2.03 1.15 -1.11 0.00 0.00 175.55 178.45 1yum h THR 85 N 3.90 0.86 -0.05 -0.71 2.02 -1.99 0.40 112.91 117.35 1yum h THR 85 Ca -0.50 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 66.57 1yum h THR 85 Cb 1.21 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 1yum h THR 85 CO 0.64 0.03 -0.24 -0.29 0.37 0.00 0.00 175.52 176.02 1yum h ILE 86 N 0.14 1.20 -0.41 3.11 6.09 -1.93 0.18 117.51 125.88 1yum h ILE 86 Ca 0.19 -0.92 -0.15 0.00 -1.37 0.00 0.00 64.86 62.61 1yum h ILE 86 Cb 0.57 1.43 -0.01 0.00 0.47 0.00 0.00 36.82 39.29 1yum h ILE 86 CO -0.03 0.27 -0.32 0.44 -3.07 0.00 0.00 178.15 175.45 1yum h ASP 87 N 0.07 0.99 -0.32 2.19 3.32 -0.63 -1.10 116.42 120.94 1yum h ASP 87 Ca 0.01 -0.44 0.04 0.00 0.02 0.00 0.00 57.03 56.67 1yum h ASP 87 Cb 0.47 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 1yum h ASP 87 CO 0.03 1.22 0.07 0.74 -1.72 0.00 0.00 179.24 179.58 1yum h THR 88 N 0.76 0.85 -0.11 0.35 2.02 -0.33 -2.07 112.91 114.39 1yum h THR 88 Ca 0.08 -0.06 -0.13 0.00 0.77 0.00 0.00 66.41 67.06 1yum h THR 88 Cb 0.90 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1yum h THR 88 CO 0.08 0.03 -0.50 -0.07 0.37 0.00 0.00 175.52 175.43 1yum h LEU 89 N 0.18 0.32 -1.46 2.58 3.38 -0.45 -2.34 115.31 117.52 1yum h LEU 89 Ca 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1yum h LEU 89 Cb 0.16 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1yum h LEU 89 CO -0.19 0.77 0.17 -0.33 0.09 0.00 0.00 178.44 178.95 1yum h GLU 90 N 0.23 0.53 0.21 1.13 5.08 -0.81 -1.59 114.58 119.37 1yum h GLU 90 Ca 0.01 -0.06 -0.32 0.00 -1.00 0.00 0.00 59.36 57.98 1yum h GLU 90 Cb 0.97 -0.11 0.03 0.00 0.50 0.00 0.00 28.75 30.14 1yum h GLU 90 CO 0.08 0.43 -1.47 1.03 -1.00 0.00 0.00 179.01 178.08 1yum h SER 91 N 0.54 0.70 -0.24 1.42 0.87 -1.19 -2.95 113.55 112.70 1yum h SER 91 Ca 0.14 -0.79 0.06 0.00 -1.23 0.00 0.00 61.79 59.96 1yum h SER 91 Cb 0.08 -0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 61.74 1yum h SER 91 CO -0.02 1.63 -0.32 0.58 -0.53 0.00 0.00 176.83 178.18 1yum h VAL 92 N 0.12 0.27 -0.48 2.23 2.07 -1.25 -3.15 116.25 116.06 1yum h VAL 92 Ca -0.24 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.36 1yum h VAL 92 Cb 2.11 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 32.09 1yum h VAL 92 CO 0.24 0.00 0.11 0.03 0.02 0.00 0.00 177.57 177.97 1yum h ARG 93 N -0.33 0.24 -1.16 1.57 2.47 -1.31 -1.58 114.38 114.28 1yum h ARG 93 Ca 0.13 -0.01 0.36 0.00 -1.26 0.00 0.00 59.98 59.19 1yum h ARG 93 Cb 0.54 -0.06 -0.12 0.00 -1.65 0.00 0.00 29.97 28.68 1yum h ARG 93 CO -0.43 0.16 0.73 0.00 0.56 0.00 0.00 179.97 181.00 1yum h ALA 94 N 1.36 2.42 0.00 0.04 0.00 -1.47 0.51 119.26 122.12 1yum h ALA 94 Ca 0.24 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1yum h ALA 94 Cb 0.30 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1yum h ALA 94 CO -0.30 -0.98 -0.18 0.93 0.00 0.00 0.00 179.25 178.72 1yum h GLU 95 N 0.22 0.00 -6.39 0.00 5.08 -1.35 -3.48 114.58 108.67 1yum h GLU 95 Ca 0.73 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 58.65 1yum h GLU 95 Cb 2.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.32 1yum h GLU 95 CO -0.42 0.00 -0.30 -0.51 -1.00 0.00 0.00 179.01 176.78 1yum s LEU 96 N -5.94 3.93 0.36 1.33 1.43 0.18 -5.05 118.68 114.92 1yum s LEU 96 Ca 0.06 -0.07 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 1yum s LEU 96 Cb 0.06 -2.84 -0.11 0.00 0.03 0.00 0.00 46.19 43.33 1yum s LEU 96 CO 0.69 -0.46 1.46 0.00 0.23 0.00 0.00 176.35 178.27 1yum s ALA 97 N -2.24 3.57 0.53 4.21 0.00 -1.26 -4.87 121.76 121.71 1yum s ALA 97 Ca 0.45 1.52 0.26 0.00 0.00 0.00 0.00 51.96 54.19 1yum s ALA 97 Cb -0.10 -3.59 1.41 0.00 0.00 0.00 0.00 23.12 20.85 1yum s ALA 97 CO 0.32 -0.98 1.98 0.00 0.00 0.00 0.00 175.76 177.08 1yum h ALA 98 N 3.21 2.56 -0.29 0.00 0.00 -1.97 0.96 119.26 123.74 1yum h ALA 98 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1yum h ALA 98 Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1yum h ALA 98 CO 0.66 -0.73 0.00 -0.40 0.00 0.00 0.00 179.25 178.77 1yum n ASP 99 N -4.36 2.22 -4.79 0.00 5.75 -1.26 -4.74 116.55 109.37 1yum n ASP 99 Ca 0.11 -1.85 -0.36 0.00 -0.01 0.00 0.00 54.79 52.69 1yum n ASP 99 Cb 0.67 -0.19 -0.04 0.00 -1.03 0.00 0.00 41.12 40.54 1yum n ASP 99 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1yum s ASP 100 N -1.39 6.58 -0.16 -1.12 1.01 0.33 -4.63 116.67 117.28 1yum s ASP 100 Ca 0.33 2.02 -0.08 0.00 0.71 0.00 0.00 52.55 55.52 1yum s ASP 100 Cb 0.18 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.49 1yum s ASP 100 CO 0.26 -0.61 0.13 -1.10 0.21 0.00 0.00 175.17 174.05 1yum s GLN 101 N -2.76 3.84 -0.15 8.23 -0.21 0.51 -4.49 119.66 124.63 1yum s GLN 101 Ca 0.61 -0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.80 1yum s GLN 101 Cb -0.20 -3.30 -0.00 0.00 1.00 0.00 0.00 33.01 30.50 1yum s GLN 101 CO 0.25 0.51 -0.15 -1.17 -2.12 0.00 0.00 175.29 172.62 1yum s LEU 102 N -0.26 2.51 -0.16 2.90 2.96 -0.82 -1.83 118.68 123.99 1yum s LEU 102 Ca 0.11 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1yum s LEU 102 Cb -0.11 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.01 1yum s LEU 102 CO 0.01 0.09 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.60 1yum s PHE 103 N 0.77 2.76 -0.27 5.38 0.40 -0.10 -0.36 117.98 126.55 1yum s PHE 103 Ca -0.06 -1.14 -0.04 0.00 -0.60 0.00 0.00 56.93 55.09 1yum s PHE 103 Cb -0.15 -1.88 0.02 0.00 0.51 0.00 0.00 43.02 41.51 1yum s PHE 103 CO 0.01 -0.53 0.01 1.41 0.70 0.00 0.00 175.22 176.82 1yum s MET 104 N 0.87 2.95 -0.23 0.44 1.75 0.17 0.49 119.30 125.74 1yum s MET 104 Ca -0.05 -0.93 -0.23 0.00 -1.25 0.00 0.00 55.69 53.23 1yum s MET 104 Cb -0.15 -3.17 -0.01 0.00 2.84 0.00 0.00 34.83 34.34 1yum s MET 104 CO -0.01 -0.42 0.77 -1.17 -0.65 0.00 0.00 175.02 173.53 1yum s LEU 105 N 1.40 4.10 -0.01 4.11 2.96 -0.12 -1.11 118.68 130.01 1yum s LEU 105 Ca 0.01 0.97 0.05 0.00 -0.22 0.00 0.00 54.13 54.95 1yum s LEU 105 Cb -0.17 -3.10 -0.01 0.00 0.50 0.00 0.00 46.19 43.41 1yum s LEU 105 CO -0.01 -0.45 -0.17 -0.63 -1.32 0.00 0.00 176.35 173.77 1yum s ILE 106 N 2.59 1.37 0.55 6.68 1.01 -0.76 -4.31 121.20 128.33 1yum s ILE 106 Ca 0.33 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 60.07 1yum s ILE 106 Cb -0.16 -1.14 -0.06 0.00 0.01 0.00 0.00 42.46 41.11 1yum s ILE 106 CO 0.09 0.37 1.00 -0.83 0.00 0.00 0.00 174.94 175.57 1yum s GLY 107 N -0.45 1.97 0.18 6.18 0.00 -1.26 0.68 107.32 114.63 1yum s GLY 107 Ca 0.07 0.14 -0.16 0.00 0.00 0.00 0.00 44.72 44.77 1yum s GLY 107 CO -0.01 0.42 1.65 -0.25 0.00 0.00 0.00 173.10 174.92 1yum h TRP 108 N 0.57 -0.26 -0.77 1.90 2.91 -0.53 -2.21 115.95 117.55 1yum h TRP 108 Ca -0.46 0.04 0.03 0.00 1.13 0.00 0.00 58.89 59.64 1yum h TRP 108 Cb 1.19 0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 29.98 1yum h TRP 108 CO 0.64 -0.21 0.49 -0.44 -1.03 0.00 0.00 178.44 177.88 1yum h ASP 109 N 0.00 0.80 -0.00 2.65 3.32 -1.93 -1.65 116.42 119.60 1yum h ASP 109 Ca 0.24 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1yum h ASP 109 Cb 0.36 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1yum h ASP 109 CO -0.51 0.55 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 1yum h ALA 110 N 1.33 0.00 -1.06 3.45 0.00 -1.79 -2.45 119.26 118.75 1yum h ALA 110 Ca 0.31 -0.08 0.28 0.00 0.00 0.00 0.00 54.91 55.43 1yum h ALA 110 Cb 0.03 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 1yum h ALA 110 CO -0.12 -0.42 0.71 0.35 0.00 0.00 0.00 179.25 179.77 1yum h PHE 111 N -0.15 0.43 0.00 0.00 3.57 -1.12 0.30 116.94 119.98 1yum h PHE 111 Ca 0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1yum h PHE 111 Cb 0.15 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1yum h PHE 111 CO -0.03 0.04 -0.06 0.00 -2.23 0.00 0.00 178.31 176.03 1yum n GLY 113 N -0.71 2.75 0.31 0.00 0.00 0.11 -4.67 105.19 102.99 1yum n GLY 113 Ca -0.02 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.30 1yum n GLY 113 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1yum h LEU 114 N 3.74 -0.52 -0.25 0.99 5.85 -0.95 -1.28 115.31 122.89 1yum h LEU 114 Ca 0.00 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1yum h LEU 114 Cb 1.20 0.45 0.00 0.00 0.37 0.00 0.00 40.66 42.68 1yum h LEU 114 CO 0.12 -0.27 0.01 -2.65 -0.34 0.00 0.00 178.44 175.31 1yum n PRO 115 N -5.46 0.02 0.01 5.25 -0.02 -1.26 -0.90 135.00 132.65 1yum n PRO 115 Ca 0.17 0.52 -0.11 0.00 -2.02 0.00 0.00 63.50 62.05 1yum n PRO 115 Cb 0.56 -1.59 -0.14 0.00 -0.02 0.00 0.00 33.50 32.32 1yum n PRO 115 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1yum h THR 116 N 0.00 1.04 -4.04 3.45 1.35 -1.60 -3.46 112.91 109.65 1yum h THR 116 Ca 0.00 -2.82 -0.52 0.00 -0.55 0.00 0.00 66.41 62.52 1yum h THR 116 Cb 0.02 2.58 0.20 0.00 -1.73 0.00 0.00 68.15 69.22 1yum h THR 116 CO 0.00 0.69 0.04 0.79 -0.25 0.00 0.00 175.52 176.79 1yum n TRP 117 N -3.23 0.30 -2.28 4.73 7.02 -0.08 -4.86 117.44 119.03 1yum n TRP 117 Ca -0.15 0.35 -0.43 0.00 -1.02 0.00 0.00 57.50 56.25 1yum n TRP 117 Cb 1.03 -1.94 -0.02 0.00 -2.42 0.00 0.00 31.31 27.95 1yum n TRP 117 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 1yum s HIS 118 N -2.58 2.42 -1.27 -5.99 5.65 -1.26 -3.02 115.29 109.23 1yum s HIS 118 Ca 0.65 0.72 -0.06 0.00 0.25 0.00 0.00 55.06 56.62 1yum s HIS 118 Cb -0.23 -3.96 0.01 0.00 -1.18 0.00 0.00 32.58 27.22 1yum s HIS 118 CO 0.60 -2.26 1.10 0.54 -0.65 0.00 0.00 174.74 174.07 1yum n ARG 119 N 7.51 -7.36 -0.34 2.88 1.74 -1.26 -4.49 116.66 115.33 1yum n ARG 119 Ca 0.17 0.81 0.23 0.00 -0.77 0.00 0.00 57.85 58.28 1yum n ARG 119 Cb 0.46 -5.77 0.49 0.00 -1.02 0.00 0.00 32.46 26.63 1yum n ARG 119 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1yum h TRP 120 N -2.40 0.74 0.00 -1.55 5.08 -1.81 0.30 115.95 116.30 1yum h TRP 120 Ca -0.56 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.44 1yum h TRP 120 Cb 1.35 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 1yum h TRP 120 CO 0.47 0.02 0.00 0.39 -1.28 0.00 0.00 178.44 178.04 1yum n GLU 121 N -4.72 0.69 0.12 0.12 1.02 -1.26 -2.33 120.64 114.28 1yum n GLU 121 Ca 0.27 0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.52 1yum n GLU 121 Cb 0.91 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.85 1yum n GLU 121 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yum h ALA 122 N 3.54 0.62 -0.93 0.62 0.00 -1.29 -3.40 119.26 118.42 1yum h ALA 122 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1yum h ALA 122 Cb 0.08 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1yum h ALA 122 CO 0.00 0.19 0.53 -0.07 0.00 0.00 0.00 179.25 179.90 1yum h LEU 123 N 0.00 1.14 0.00 0.00 3.38 -1.59 -1.88 115.31 116.37 1yum h LEU 123 Ca -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1yum h LEU 123 Cb 1.12 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1yum h LEU 123 CO 0.01 0.90 0.00 0.18 0.09 0.00 0.00 178.44 179.62 1yum n LEU 124 N -4.34 0.00 0.30 1.67 4.77 -1.26 -1.64 117.00 116.50 1yum n LEU 124 Ca 0.10 0.24 0.15 0.00 -0.03 0.00 0.00 56.01 56.47 1yum n LEU 124 Cb 0.08 -0.24 0.92 0.00 -2.33 0.00 0.00 43.42 41.85 1yum n LEU 124 CO 0.39 -0.09 1.12 0.44 -1.33 0.00 0.00 177.39 177.92 1yum h ASP 125 N 0.00 0.00 0.00 -1.43 5.19 -1.63 -2.45 116.42 116.10 1yum h ASP 125 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1yum h ASP 125 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1yum h ASP 125 CO 0.00 0.01 -1.16 1.41 -3.12 0.00 0.00 179.24 176.38 1yum n HIS 126 N -3.80 0.00 -3.88 4.55 8.25 -0.65 -4.84 115.22 114.84 1yum n HIS 126 Ca -0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.35 1yum n HIS 126 Cb 0.09 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 1yum n HIS 126 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yum s HIS 128 N -3.42 3.52 -0.22 0.00 0.09 0.51 -1.37 115.29 114.40 1yum s HIS 128 Ca 0.16 1.15 -0.08 0.00 -0.00 0.00 0.00 55.06 56.28 1yum s HIS 128 Cb -0.04 -2.45 -0.04 0.00 -0.00 0.00 0.00 32.58 30.04 1yum s HIS 128 CO 0.10 0.28 0.09 0.42 -0.00 0.00 0.00 174.74 175.62 1yum s ILE 129 N -1.69 4.76 -0.35 0.60 1.01 -0.46 -0.66 121.20 124.41 1yum s ILE 129 Ca 0.46 -0.03 -0.07 0.00 0.00 0.00 0.00 60.65 61.00 1yum s ILE 129 Cb -0.13 -3.19 0.04 0.00 0.01 0.00 0.00 42.46 39.19 1yum s ILE 129 CO 0.19 0.39 0.13 -0.69 0.00 0.00 0.00 174.94 174.97 1yum s VAL 130 N 0.91 3.91 -0.28 2.92 1.01 -0.27 -1.12 120.40 127.49 1yum s VAL 130 Ca 0.05 -1.12 -0.12 0.00 0.00 0.00 0.00 61.98 60.78 1yum s VAL 130 Cb -0.14 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1yum s VAL 130 CO 0.03 -0.21 0.24 -0.69 0.00 0.00 0.00 175.10 174.46 1yum s VAL 131 N 1.42 5.28 -0.12 2.92 1.01 0.04 -1.82 120.40 129.13 1yum s VAL 131 Ca -0.01 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.02 1yum s VAL 131 Cb -0.20 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1yum s VAL 131 CO 0.03 0.22 0.60 -0.22 0.00 0.00 0.00 175.10 175.73 1yum s LEU 132 N 1.84 4.26 0.06 3.92 2.96 0.21 -2.13 118.68 129.80 1yum s LEU 132 Ca 0.09 0.96 0.00 0.00 -0.22 0.00 0.00 54.13 54.96 1yum s LEU 132 Cb -0.16 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.60 1yum s LEU 132 CO 0.11 -0.11 0.20 -1.10 -1.32 0.00 0.00 176.35 174.12 1yum s GLN 133 N 1.00 3.39 0.24 1.98 -1.52 -0.25 0.23 119.66 124.73 1yum s GLN 133 Ca 0.31 -0.45 -0.16 0.00 -1.95 0.00 0.00 55.36 53.10 1yum s GLN 133 Cb -0.16 -3.02 0.01 0.00 -0.22 0.00 0.00 33.01 29.62 1yum s GLN 133 CO 0.13 0.61 0.55 -0.98 -0.25 0.00 0.00 175.29 175.36 1yum s ARG 134 N -2.46 1.56 0.00 2.91 1.70 -1.26 -2.88 118.95 118.52 1yum s ARG 134 Ca 0.34 -1.07 0.00 0.00 -0.47 0.00 0.00 55.73 54.53 1yum s ARG 134 Cb -0.13 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 1yum s ARG 134 CO 0.27 -0.67 0.68 -2.30 -1.08 0.00 0.00 175.30 172.20 1yum n PRO 135 N -0.39 0.00 0.00 3.89 -0.02 -1.26 -4.16 135.00 133.06 1yum n PRO 135 Ca -0.05 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1yum n PRO 135 Cb 0.61 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1yum n PRO 135 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1yum n ASP 136 N -1.18 4.72 0.00 2.55 -0.08 -1.26 -4.94 116.55 116.36 1yum n ASP 136 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1yum n ASP 136 Cb 0.24 0.59 0.00 0.00 2.34 0.00 0.00 41.12 44.29 1yum n ASP 136 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1yum n ALA 137 N -1.79 0.00 0.00 -1.67 0.00 -1.26 -5.07 120.51 110.71 1yum n ALA 137 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yum n ALA 137 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1yum n ALA 137 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1yum n ASP 138 N 0.00 0.00 -0.17 0.00 5.75 -1.26 -5.05 116.55 115.82 1yum n ASP 138 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.86 1yum n ASP 138 Cb 0.00 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.22 1yum n ASP 138 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1yum n SER 139 N 1.02 2.48 -4.26 -1.12 2.88 -1.26 -4.99 113.62 108.37 1yum n SER 139 Ca 0.00 -2.84 -0.32 0.00 -1.33 0.00 0.00 58.87 54.38 1yum n SER 139 Cb 0.00 -0.36 -0.16 0.00 -0.75 0.00 0.00 64.21 62.94 1yum n SER 139 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1yum s GLU 140 N -2.46 3.12 0.59 -1.46 4.04 -1.26 -5.11 118.70 116.16 1yum s GLU 140 Ca 0.27 -0.83 0.10 0.00 0.04 0.00 0.00 54.97 54.54 1yum s GLU 140 Cb 0.23 -2.38 0.09 0.00 0.02 0.00 0.00 34.13 32.10 1yum s GLU 140 CO 0.03 0.19 0.81 -1.25 -1.84 0.00 0.00 175.26 173.21 1yum s PRO 141 N 0.33 2.27 0.13 -4.83 0.04 -1.26 -5.11 135.00 126.58 1yum s PRO 141 Ca -0.17 -1.67 -0.09 0.00 0.04 0.00 0.00 61.00 59.10 1yum s PRO 141 Cb -0.17 -2.64 -0.06 0.00 0.04 0.00 0.00 34.50 31.66 1yum s PRO 141 CO 0.08 -0.91 0.45 -1.25 0.04 0.00 0.00 177.00 175.41 1yum s PRO 142 N -4.69 3.77 0.27 0.56 0.04 -1.26 -4.98 135.00 128.71 1yum s PRO 142 Ca 0.62 0.18 -0.01 0.00 0.04 0.00 0.00 61.00 61.84 1yum s PRO 142 Cb -0.05 -2.88 0.62 0.00 0.04 0.00 0.00 34.50 32.22 1yum s PRO 142 CO 0.39 0.48 1.42 -0.85 0.04 0.00 0.00 177.00 178.48 1yum n GLU 143 N 0.50 -0.07 0.26 4.56 -0.00 -1.26 0.09 120.64 124.71 1yum n GLU 143 Ca -0.05 1.37 0.16 0.00 -0.00 0.00 0.00 57.16 58.65 1yum n GLU 143 Cb 0.52 -2.14 0.75 0.00 -0.00 0.00 0.00 31.44 30.57 1yum n GLU 143 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1yum h SER 144 N 0.00 0.00 -0.00 -1.84 4.64 -1.99 0.26 113.55 114.62 1yum h SER 144 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1yum h SER 144 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1yum h SER 144 CO -0.87 0.00 -0.34 0.18 -0.87 0.00 0.00 176.83 174.93 1yum n LEU 145 N -3.12 0.71 0.25 5.97 4.77 0.11 -4.66 117.00 121.03 1yum n LEU 145 Ca 0.01 -0.60 0.07 0.00 -0.03 0.00 0.00 56.01 55.47 1yum n LEU 145 Cb 0.50 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 42.19 1yum n LEU 145 CO 0.17 0.16 1.02 0.08 -1.33 0.00 0.00 177.39 177.49 1yum h ARG 146 N 0.40 0.00 0.11 3.23 0.11 -0.20 -0.73 114.38 117.30 1yum h ARG 146 Ca 0.00 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.72 1yum h ARG 146 Cb 0.26 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.31 1yum h ARG 146 CO 0.00 0.05 -1.98 -3.47 0.10 0.00 0.00 179.97 174.67 1yum n ASP 147 N -4.48 2.01 -0.32 0.08 2.03 -1.26 -1.60 116.55 113.01 1yum n ASP 147 Ca -0.03 0.22 0.11 0.00 0.52 0.00 0.00 54.79 55.61 1yum n ASP 147 Cb 0.13 -0.78 0.28 0.00 -0.72 0.00 0.00 41.12 40.03 1yum n ASP 147 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1yum h LEU 148 N 0.06 0.63 -0.05 -2.67 5.85 -1.81 0.21 115.31 117.54 1yum h LEU 148 Ca -0.41 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 1yum h LEU 148 Cb 2.03 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.06 1yum h LEU 148 CO 0.09 0.22 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.31 1yum h LEU 149 N 0.67 0.11 -1.14 2.25 3.38 -1.17 0.18 115.31 119.59 1yum h LEU 149 Ca 0.53 -0.45 0.19 0.00 0.09 0.00 0.00 57.88 58.24 1yum h LEU 149 Cb 0.82 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.45 1yum h LEU 149 CO -0.39 0.54 0.61 0.00 0.09 0.00 0.00 178.44 179.29 1yum h ALA 150 N 0.57 1.80 0.16 1.53 0.00 -0.70 -2.13 119.26 120.50 1yum h ALA 150 Ca 0.01 0.06 -0.33 0.00 0.00 0.00 0.00 54.91 54.64 1yum h ALA 150 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1yum h ALA 150 CO 0.01 -0.14 -1.64 0.00 0.00 0.00 0.00 179.25 177.48 1yum h ALA 151 N 1.62 0.18 -0.00 0.00 0.00 -0.33 -3.42 119.26 117.32 1yum h ALA 151 Ca 0.54 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1yum h ALA 151 Cb 0.94 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1yum h ALA 151 CO -0.32 1.05 -0.16 0.54 0.00 0.00 0.00 179.25 180.36 1yum n ARG 152 N -3.54 5.45 -2.19 0.00 5.12 0.61 -5.02 116.66 117.10 1yum n ARG 152 Ca -0.20 -0.04 -0.29 0.00 -1.93 0.00 0.00 57.85 55.38 1yum n ARG 152 Cb 1.07 -0.69 0.02 0.00 -1.16 0.00 0.00 32.46 31.69 1yum n ARG 152 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1yum s SER 153 N -1.29 5.98 -0.03 0.55 1.04 -0.81 -0.78 113.70 118.35 1yum s SER 153 Ca 0.02 1.10 0.02 0.00 0.48 0.00 0.00 55.95 57.56 1yum s SER 153 Cb 0.03 -2.17 0.01 0.00 0.10 0.00 0.00 66.02 63.99 1yum s SER 153 CO 0.14 -0.91 -0.08 0.68 0.98 0.00 0.00 173.24 174.06 1yum s VAL 154 N -3.05 0.70 0.14 5.02 -7.23 -0.26 -4.82 120.40 110.90 1yum s VAL 154 Ca 0.53 -0.29 0.18 0.00 -1.81 0.00 0.00 61.98 60.59 1yum s VAL 154 Cb -0.11 -0.64 0.11 0.00 0.56 0.00 0.00 36.38 36.30 1yum s VAL 154 CO 0.49 0.23 1.68 0.00 -0.31 0.00 0.00 175.10 177.20 1yum h ALA 155 N 6.60 0.95 -3.25 1.32 0.00 -1.98 -3.40 119.26 119.50 1yum h ALA 155 Ca -0.34 -0.38 -0.61 0.00 0.00 0.00 0.00 54.91 53.58 1yum h ALA 155 Cb 1.17 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 1yum h ALA 155 CO 0.48 0.52 -0.53 0.34 0.00 0.00 0.00 179.25 180.07 1yum s ASP 156 N -6.47 5.88 0.36 0.00 2.15 -1.26 -4.77 116.67 112.56 1yum s ASP 156 Ca 0.00 0.13 0.07 0.00 0.43 0.00 0.00 52.55 53.19 1yum s ASP 156 Cb 0.11 -2.02 0.67 0.00 -0.30 0.00 0.00 42.92 41.38 1yum s ASP 156 CO 0.70 0.16 1.87 1.55 -0.17 0.00 0.00 175.17 179.28 1yum h PRO 157 N 6.82 0.34 0.00 4.34 0.13 -1.87 -1.32 132.00 140.44 1yum h PRO 157 Ca -0.39 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1yum h PRO 157 Cb 1.16 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1yum h PRO 157 CO 0.72 0.47 -0.03 1.96 -0.23 0.00 0.00 178.00 180.89 1yum h GLN 158 N 0.32 0.00 0.00 0.86 7.50 -1.96 -1.52 115.11 120.32 1yum h GLN 158 Ca 0.06 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.21 1yum h GLN 158 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.95 1yum h GLN 158 CO 0.02 0.03 0.00 0.00 -1.50 0.00 0.00 178.83 177.38 1yum n ALA 159 N -2.12 2.09 -2.39 3.87 0.00 -0.50 -4.77 120.51 116.69 1yum n ALA 159 Ca -0.01 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 1yum n ALA 159 Cb 0.21 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 1yum n ALA 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yum s LEU 160 N -2.37 4.29 -0.02 0.00 1.43 -0.57 -4.98 118.68 116.46 1yum s LEU 160 Ca 0.22 1.89 0.08 0.00 -1.03 0.00 0.00 54.13 55.29 1yum s LEU 160 Cb 0.13 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 1yum s LEU 160 CO 0.27 -0.63 -0.25 -0.75 0.23 0.00 0.00 176.35 175.23 1yum s LYS 161 N 2.31 1.97 0.21 1.70 2.20 -1.26 -5.07 119.74 121.80 1yum s LYS 161 Ca 0.58 -0.89 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 1yum s LYS 161 Cb -0.26 -1.92 0.00 0.00 -1.51 0.00 0.00 37.83 34.14 1yum s LYS 161 CO 0.23 0.52 0.00 0.41 -0.36 0.00 0.00 175.35 176.15 1yum n GLY 162 N 2.44 -2.66 0.24 5.54 0.00 -1.26 -4.44 105.19 105.06 1yum n GLY 162 Ca -0.16 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.28 1yum n GLY 162 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1yum h PRO 163 N 0.00 0.00 0.00 1.61 0.11 -1.84 -3.44 132.00 128.44 1yum h PRO 163 Ca 0.00 0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.30 1yum h PRO 163 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 1yum h PRO 163 CO 0.00 0.16 0.47 0.41 -0.21 0.00 0.00 178.00 178.83 1yum n GLY 164 N -0.09 0.36 0.00 -0.55 0.00 -1.26 -1.95 105.19 101.70 1yum n GLY 164 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1yum n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yum n GLY 165 N -0.47 1.96 3.53 -0.02 0.00 -0.47 -4.79 105.19 104.92 1yum n GLY 165 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1yum n GLY 165 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yum s GLN 166 N -0.25 1.79 -0.05 1.61 -0.21 -1.26 -4.90 119.66 116.38 1yum s GLN 166 Ca 0.00 -1.98 0.05 0.00 0.02 0.00 0.00 55.36 53.45 1yum s GLN 166 Cb 0.00 -1.33 -0.01 0.00 1.00 0.00 0.00 33.01 32.68 1yum s GLN 166 CO 0.00 -0.06 -0.21 0.42 -2.12 0.00 0.00 175.29 173.32 1yum s ILE 167 N -2.93 1.71 0.35 1.08 1.01 0.04 -1.36 121.20 121.10 1yum s ILE 167 Ca 0.34 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 60.17 1yum s ILE 167 Cb 0.08 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 1yum s ILE 167 CO 0.16 0.48 0.16 0.28 0.00 0.00 0.00 174.94 176.03 1yum s THR 168 N -0.01 0.41 -0.04 2.92 -1.32 -0.27 -1.10 115.64 116.24 1yum s THR 168 Ca -0.05 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.47 1yum s THR 168 Cb -0.13 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.40 1yum s THR 168 CO 0.03 0.00 -0.14 -0.36 -2.21 0.00 0.00 174.62 171.95 1yum s PHE 169 N -3.42 1.39 0.02 9.09 0.40 -1.26 -0.78 117.98 123.42 1yum s PHE 169 Ca 0.32 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 1yum s PHE 169 Cb 0.04 -0.96 -0.02 0.00 0.51 0.00 0.00 43.02 42.60 1yum s PHE 169 CO 0.18 -0.14 -0.11 0.14 0.70 0.00 0.00 175.22 175.99 1yum s VAL 170 N 0.14 0.82 -0.16 -0.44 -7.23 -0.91 -4.81 120.40 107.82 1yum s VAL 170 Ca -0.04 -0.76 -0.09 0.00 -1.81 0.00 0.00 61.98 59.28 1yum s VAL 170 Cb -0.11 -0.75 -0.05 0.00 0.56 0.00 0.00 36.38 36.04 1yum s VAL 170 CO 0.02 0.00 0.15 0.86 -0.31 0.00 0.00 175.10 175.82 1yum s TRP 171 N -0.69 3.50 0.17 2.82 -0.11 -1.26 -1.09 118.94 122.28 1yum s TRP 171 Ca 0.00 0.45 -0.09 0.00 1.22 0.00 0.00 56.10 57.68 1yum s TRP 171 Cb -0.06 -2.08 -0.01 0.00 -1.50 0.00 0.00 33.47 29.82 1yum s TRP 171 CO 0.00 0.49 0.29 -0.65 -4.62 0.00 0.00 176.95 172.47 1yum s GLN 172 N -0.28 1.19 -0.84 5.86 -0.21 -1.14 -5.00 119.66 119.24 1yum s GLN 172 Ca 0.12 -1.21 0.01 0.00 0.02 0.00 0.00 55.36 54.30 1yum s GLN 172 Cb -0.12 0.38 0.24 0.00 1.00 0.00 0.00 33.01 34.51 1yum s GLN 172 CO 0.01 -0.44 0.86 -2.37 -2.12 0.00 0.00 175.29 171.23 1yum n THR 173 N -0.23 3.07 -1.74 -0.19 5.66 -1.26 -4.46 114.28 115.13 1yum n THR 173 Ca -0.06 -5.26 -0.41 0.00 -3.05 0.00 0.00 64.05 55.27 1yum n THR 173 Cb 0.63 -2.23 0.01 0.00 -1.55 0.00 0.00 70.33 67.19 1yum n THR 173 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1yum n PRO 174 N 1.68 2.29 -1.68 1.09 -0.02 -1.26 -4.89 135.00 132.20 1yum n PRO 174 Ca 0.25 0.81 -0.41 0.00 -2.02 0.00 0.00 63.50 62.12 1yum n PRO 174 Cb 0.37 -2.52 0.01 0.00 -0.02 0.00 0.00 33.50 31.34 1yum n PRO 174 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1yum n LEU 175 N 0.31 3.80 -3.55 2.45 4.77 -1.26 -4.80 117.00 118.72 1yum n LEU 175 Ca 0.04 1.09 -0.40 0.00 -0.03 0.00 0.00 56.01 56.71 1yum n LEU 175 Cb 0.39 -1.47 -0.01 0.00 -2.33 0.00 0.00 43.42 39.99 1yum n LEU 175 CO 0.61 -0.81 2.93 0.00 -1.33 0.00 0.00 177.39 178.80 1yum n ALA 176 N -0.29 6.21 -2.37 -1.18 0.00 -1.26 -4.74 120.51 116.88 1yum n ALA 176 Ca 0.07 -3.68 -0.31 0.00 0.00 0.00 0.00 53.44 49.53 1yum n ALA 176 Cb 0.40 -3.47 -0.15 0.00 0.00 0.00 0.00 19.45 16.23 1yum n ALA 176 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yum s VAL 177 N 2.89 2.35 0.04 0.00 1.01 -1.26 -5.12 120.40 120.30 1yum s VAL 177 Ca 0.56 -1.18 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1yum s VAL 177 Cb 0.15 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1yum s VAL 177 CO -0.07 0.46 -0.09 -0.94 0.00 0.00 0.00 175.10 174.46 1yum s SER 178 N -1.02 1.03 0.32 3.32 1.04 -1.26 -4.83 113.70 112.31 1yum s SER 178 Ca 0.12 -0.48 0.09 0.00 0.48 0.00 0.00 55.95 56.15 1yum s SER 178 Cb -0.10 -0.01 0.56 0.00 0.10 0.00 0.00 66.02 66.57 1yum s SER 178 CO 0.01 -0.12 1.75 0.00 0.98 0.00 0.00 173.24 175.86 1yum h ALA 179 N 4.73 1.22 0.08 5.32 0.00 -1.88 -2.22 119.26 126.51 1yum h ALA 179 Ca -0.36 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.16 1yum h ALA 179 Cb 1.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1yum h ALA 179 CO 0.42 0.55 -0.05 1.15 0.00 0.00 0.00 179.25 181.32 1yum h THR 180 N 0.11 0.90 -0.39 0.00 2.02 -1.96 0.34 112.91 113.94 1yum h THR 180 Ca 0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.20 1yum h THR 180 Cb 0.76 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1yum h THR 180 CO 0.06 0.00 0.26 -0.61 0.37 0.00 0.00 175.52 175.59 1yum h GLN 181 N -0.13 0.47 -0.07 6.66 4.15 -1.95 -1.53 115.11 122.71 1yum h GLN 181 Ca -0.01 -0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.18 1yum h GLN 181 Cb 0.11 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 27.70 1yum h GLN 181 CO 0.01 0.31 -0.74 0.82 -1.93 0.00 0.00 178.83 177.31 1yum h ILE 182 N 0.49 1.33 -0.64 2.39 2.04 -0.78 -2.02 117.51 120.31 1yum h ILE 182 Ca 0.15 -2.02 0.03 0.00 1.00 0.00 0.00 64.86 64.01 1yum h ILE 182 Cb -0.00 2.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 1yum h ILE 182 CO -0.03 0.62 0.40 0.03 0.00 0.00 0.00 178.15 179.16 1yum h ARG 183 N 0.27 0.76 -0.73 2.37 3.08 -0.56 -0.55 114.38 119.02 1yum h ARG 183 Ca -0.07 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 1yum h ARG 183 Cb 1.39 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.24 1yum h ARG 183 CO 0.15 0.50 0.21 0.00 -1.07 0.00 0.00 179.97 179.76 1yum h ALA 184 N 1.27 0.99 -0.52 0.04 0.00 -1.26 -0.70 119.26 119.08 1yum h ALA 184 Ca 0.25 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1yum h ALA 184 Cb 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1yum h ALA 184 CO -0.10 0.66 0.02 -0.07 0.00 0.00 0.00 179.25 179.77 1yum h LEU 185 N 1.09 0.83 -0.32 0.00 3.38 -0.78 -2.27 115.31 117.24 1yum h LEU 185 Ca 0.23 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1yum h LEU 185 Cb 0.33 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1yum h LEU 185 CO -0.00 0.88 -0.09 -0.07 0.09 0.00 0.00 178.44 179.24 1yum h LEU 186 N 0.81 0.64 -2.23 1.67 3.38 -0.80 -0.48 115.31 118.30 1yum h LEU 186 Ca 0.16 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.80 1yum h LEU 186 Cb 0.45 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1yum h LEU 186 CO 0.02 0.87 0.17 1.23 0.09 0.00 0.00 178.44 180.82 1yum h GLY 187 N 0.40 0.00 -1.10 0.83 0.00 -0.76 -1.52 103.07 100.92 1yum h GLY 187 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1yum h GLY 187 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.57 1yum n ALA 188 N -2.37 2.50 -1.81 3.60 0.00 -0.87 -3.94 120.51 117.62 1yum n ALA 188 Ca 0.01 -0.61 -0.08 0.00 0.00 0.00 0.00 53.44 52.76 1yum n ALA 188 Cb 0.29 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 1yum n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yum n GLY 189 N 1.21 0.40 3.96 0.00 0.00 -0.57 -5.03 105.19 105.16 1yum n GLY 189 Ca 0.17 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 1yum n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yum s ARG 190 N -3.76 3.00 0.11 1.61 0.52 -0.22 -5.03 118.95 115.20 1yum s ARG 190 Ca 0.00 -1.10 -0.17 0.00 -0.52 0.00 0.00 55.73 53.94 1yum s ARG 190 Cb 0.00 -2.73 -0.07 0.00 0.52 0.00 0.00 34.95 32.67 1yum s ARG 190 CO 0.00 0.05 0.56 0.45 0.02 0.00 0.00 175.30 176.38 1yum s SER 191 N -4.14 6.95 -0.07 0.23 0.15 -1.26 -4.43 113.70 111.13 1yum s SER 191 Ca 0.45 1.18 0.13 0.00 0.70 0.00 0.00 55.95 58.41 1yum s SER 191 Cb -0.09 -2.33 0.39 0.00 -1.71 0.00 0.00 66.02 62.29 1yum s SER 191 CO 0.30 0.19 1.32 1.33 1.20 0.00 0.00 173.24 177.58 1yum n VAL 192 N 1.26 1.52 -1.59 4.45 0.24 -1.26 -4.99 118.33 117.96 1yum n VAL 192 Ca -0.08 -1.35 -0.46 0.00 -2.04 0.00 0.00 64.34 60.41 1yum n VAL 192 Cb 0.51 0.20 -0.03 0.00 -1.47 0.00 0.00 33.84 33.05 1yum n VAL 192 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1yum n ARG 193 N 0.08 1.31 -1.13 7.34 0.63 -1.26 -0.50 116.66 123.13 1yum n ARG 193 Ca 0.15 0.46 -0.05 0.00 -0.92 0.00 0.00 57.85 57.50 1yum n ARG 193 Cb 0.61 -1.90 -0.02 0.00 0.45 0.00 0.00 32.46 31.61 1yum n ARG 193 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1yum n PHE 194 N 0.81 0.00 0.04 -0.14 0.99 -1.26 -4.74 117.46 113.16 1yum n PHE 194 Ca 0.12 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.60 1yum n PHE 194 Cb 0.29 -1.67 -0.04 0.00 -1.00 0.00 0.00 39.48 37.06 1yum n PHE 194 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1yum n LEU 195 N -0.52 0.04 -4.39 4.37 4.77 0.34 -4.98 117.00 116.63 1yum n LEU 195 Ca -0.05 -0.08 -0.22 0.00 -0.03 0.00 0.00 56.01 55.63 1yum n LEU 195 Cb 0.36 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 1yum n LEU 195 CO 0.07 0.01 -0.47 0.68 -1.33 0.00 0.00 177.39 176.35 1yum s VAL 196 N -2.25 2.06 0.56 4.08 -7.23 -1.14 -1.64 120.40 114.83 1yum s VAL 196 Ca -0.01 -2.17 -0.20 0.00 -1.81 0.00 0.00 61.98 57.78 1yum s VAL 196 Cb 0.04 -2.08 -0.06 0.00 0.56 0.00 0.00 36.38 34.84 1yum s VAL 196 CO 0.24 -0.40 1.08 -2.65 -0.31 0.00 0.00 175.10 173.05 1yum n PRO 197 N -0.20 1.18 -0.07 4.82 -0.02 -1.26 -4.72 135.00 134.73 1yum n PRO 197 Ca -0.09 0.44 0.07 0.00 -2.02 0.00 0.00 63.50 61.90 1yum n PRO 197 Cb 0.59 -2.25 0.42 0.00 -0.02 0.00 0.00 33.50 32.24 1yum n PRO 197 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1yum h ASP 198 N 0.90 0.50 1.25 2.55 3.32 -1.98 -0.60 116.42 122.37 1yum h ASP 198 Ca -0.48 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1yum h ASP 198 Cb 1.34 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1yum h ASP 198 CO 0.53 0.34 0.00 0.00 -1.72 0.00 0.00 179.24 178.39 1yum n ALA 199 N -2.48 2.12 0.04 3.45 0.00 -1.26 -1.36 120.51 121.02 1yum n ALA 199 Ca 0.07 -0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.30 1yum n ALA 199 Cb 0.18 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.04 1yum n ALA 199 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1yum h VAL 200 N 0.00 1.31 -0.40 0.00 2.07 -1.46 -2.86 116.25 114.91 1yum h VAL 200 Ca 0.00 -2.49 0.08 0.00 0.82 0.00 0.00 66.70 65.11 1yum h VAL 200 Cb 0.63 3.00 -0.08 0.00 -1.52 0.00 0.00 31.29 33.32 1yum h VAL 200 CO 0.00 0.71 -0.13 0.25 0.02 0.00 0.00 177.57 178.42 1yum h LEU 201 N -0.32 -0.47 -0.52 2.57 7.12 -0.99 0.28 115.31 122.99 1yum h LEU 201 Ca -0.21 0.13 0.06 0.00 0.13 0.00 0.00 57.88 57.99 1yum h LEU 201 Cb 1.72 0.29 -0.05 0.00 -0.53 0.00 0.00 40.66 42.08 1yum h LEU 201 CO 0.12 -0.17 0.22 0.78 -0.13 0.00 0.00 178.44 179.27 1yum h ASN 202 N -0.04 0.27 -0.39 1.25 2.35 -1.29 -0.99 115.58 116.73 1yum h ASN 202 Ca 0.19 0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 1yum h ASN 202 Cb 0.34 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1yum h ASN 202 CO -0.44 0.18 -0.10 0.22 -1.65 0.00 0.00 177.43 175.65 1yum h TYR 203 N 0.43 0.92 -0.29 1.19 5.03 -1.19 0.12 116.97 123.18 1yum h TYR 203 Ca 0.24 -0.17 -0.02 0.00 2.58 0.00 0.00 58.73 61.37 1yum h TYR 203 Cb 0.22 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 1yum h TYR 203 CO -0.14 0.89 0.12 0.82 -1.32 0.00 0.00 178.16 178.54 1yum h ILE 204 N 0.76 1.17 -0.41 1.81 2.04 0.52 -2.41 117.51 120.99 1yum h ILE 204 Ca 0.13 -0.52 -0.15 0.00 1.00 0.00 0.00 64.86 65.32 1yum h ILE 204 Cb 0.60 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1yum h ILE 204 CO 0.04 0.18 -0.33 -0.33 0.00 0.00 0.00 178.15 177.71 1yum h GLU 205 N 0.33 0.94 -0.52 2.37 5.08 -1.11 -0.00 114.58 121.66 1yum h GLU 205 Ca 0.10 -0.46 0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1yum h GLU 205 Cb 0.17 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.33 1yum h GLU 205 CO -0.01 1.12 -0.00 0.00 -1.00 0.00 0.00 179.01 179.12 1yum h ALA 206 N 0.83 0.50 -0.45 3.43 0.00 -0.63 -2.54 119.26 120.40 1yum h ALA 206 Ca 0.08 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1yum h ALA 206 Cb 0.92 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1yum h ALA 206 CO 0.09 -0.39 0.00 0.72 0.00 0.00 0.00 179.25 179.67 1yum n HIS 207 N -5.24 0.59 -4.05 0.00 8.25 -0.92 -4.98 115.22 108.87 1yum n HIS 207 Ca 0.06 -0.30 -0.38 0.00 -0.26 0.00 0.00 57.72 56.84 1yum n HIS 207 Cb 0.29 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.39 1yum n HIS 207 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1yum n HIS 208 N 1.30 -1.48 -2.70 4.41 -0.00 -0.12 -4.94 115.22 111.70 1yum n HIS 208 Ca 0.20 0.33 -0.31 0.00 -0.00 0.00 0.00 57.72 57.94 1yum n HIS 208 Cb 0.55 -3.01 -0.03 0.00 -0.00 0.00 0.00 29.99 27.50 1yum n HIS 208 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yum s LEU 209 N -7.23 3.75 -1.63 2.41 1.43 -0.57 -4.00 118.68 112.85 1yum s LEU 209 Ca 0.33 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 1yum s LEU 209 Cb -0.16 -4.15 0.00 0.00 0.03 0.00 0.00 46.19 41.91 1yum s LEU 209 CO 0.95 -0.47 0.00 -1.22 0.23 0.00 0.00 176.35 175.84 1yum n TYR 210 N -1.46 -0.04 -2.59 0.29 4.02 -1.26 -4.92 117.16 111.21 1yum n TYR 210 Ca 0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.51 1yum n TYR 210 Cb 0.54 -3.05 -0.04 0.00 -0.02 0.00 0.00 39.34 36.78 1yum n TYR 210 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1yum s ARG 211 N -3.28 4.60 0.70 -0.72 3.00 -1.26 -2.39 118.95 119.60 1yum s ARG 211 Ca 0.00 1.61 -0.17 0.00 -1.00 0.00 0.00 55.73 56.17 1yum s ARG 211 Cb 0.00 -3.34 -0.11 0.00 0.00 0.00 0.00 34.95 31.50 1yum s ARG 211 CO 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 175.30 175.31 1yum n ALA 212 N 2.90 -3.08 0.71 6.12 0.00 -1.25 -4.95 120.51 120.96 1yum n ALA 212 Ca 0.04 -0.27 0.06 0.00 0.00 0.00 0.00 53.44 53.27 1yum n ALA 212 Cb 0.48 -1.51 0.34 0.00 0.00 0.00 0.00 19.45 18.75 1yum n ALA 212 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20