#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 3.53 -0.38 1.61 1.02 -1.26 -4.87 119.74 119.38 1yum s LYS 3 Ca 0.00 -0.32 -0.16 0.00 0.02 0.00 0.00 55.97 55.51 1yum s LYS 3 Cb 0.00 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1yum s LYS 3 CO 0.00 0.39 0.36 1.03 -0.92 0.00 0.00 175.35 176.21 1yum s ARG 4 N -3.32 3.28 -0.14 1.68 0.52 -1.26 -0.55 118.95 119.16 1yum s ARG 4 Ca 0.39 -0.68 -0.01 0.00 -0.52 0.00 0.00 55.73 54.90 1yum s ARG 4 Cb -0.11 -3.90 -0.02 0.00 0.52 0.00 0.00 34.95 31.45 1yum s ARG 4 CO 0.29 -0.67 -0.10 0.42 0.02 0.00 0.00 175.30 175.26 1yum s ILE 5 N 1.95 3.28 0.05 1.52 1.01 0.15 -1.00 121.20 128.16 1yum s ILE 5 Ca 0.10 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1yum s ILE 5 Cb -0.17 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1yum s ILE 5 CO 0.12 0.51 0.08 -0.83 0.00 0.00 0.00 174.94 174.82 1yum s GLY 6 N 0.40 2.02 -0.13 6.18 0.00 -0.31 0.63 107.32 116.11 1yum s GLY 6 Ca -0.08 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.69 1yum s GLY 6 CO 0.05 -0.91 -0.18 -2.27 0.00 0.00 0.00 173.10 169.79 1yum s LEU 7 N -2.16 1.90 -0.26 0.66 2.96 0.10 0.22 118.68 122.10 1yum s LEU 7 Ca 0.27 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1yum s LEU 7 Cb -0.12 -1.26 0.08 0.00 0.50 0.00 0.00 46.19 45.38 1yum s LEU 7 CO 0.19 0.03 0.03 0.12 -1.32 0.00 0.00 176.35 175.41 1yum s PHE 8 N 0.98 1.90 0.39 5.38 5.36 0.04 -1.42 117.98 130.61 1yum s PHE 8 Ca -0.05 -1.62 -0.02 0.00 -0.96 0.00 0.00 56.93 54.28 1yum s PHE 8 Cb -0.15 -1.60 -0.04 0.00 -0.34 0.00 0.00 43.02 40.89 1yum s PHE 8 CO -0.03 -0.79 0.63 0.20 -1.46 0.00 0.00 175.22 173.77 1yum s GLY 9 N 1.56 1.43 0.00 13.12 0.00 -1.26 -0.26 107.32 121.91 1yum s GLY 9 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1yum s GLY 9 CO -0.14 -0.64 0.00 0.61 0.00 0.00 0.00 173.10 172.93 1yum n GLY 10 N -1.88 0.90 0.14 0.20 0.00 -0.93 -4.88 105.19 98.74 1yum n GLY 10 Ca -0.03 -1.27 -0.23 0.00 0.00 0.00 0.00 46.02 44.49 1yum n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1yum h THR 11 N 2.77 1.16 -5.34 2.61 2.02 -1.89 -0.63 112.91 113.60 1yum h THR 11 Ca 0.00 -2.55 -0.02 0.00 0.77 0.00 0.00 66.41 64.61 1yum h THR 11 Cb 0.00 2.92 0.02 0.00 -1.74 0.00 0.00 68.15 69.35 1yum h THR 11 CO 0.00 0.79 -0.08 0.49 0.37 0.00 0.00 175.52 177.08 1yum n PHE 12 N -3.79 -2.89 -3.10 3.16 0.99 -1.26 -4.57 117.46 106.00 1yum n PHE 12 Ca -0.21 1.09 -0.24 0.00 -0.00 0.00 0.00 57.45 58.10 1yum n PHE 12 Cb 1.01 -4.08 -0.04 0.00 -1.00 0.00 0.00 39.48 35.37 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 -1.90 2.79 -4.97 4.37 2.03 -1.26 -3.13 116.55 114.48 1yum n ASP 13 Ca -0.01 -3.34 -0.21 0.00 0.52 0.00 0.00 54.79 51.75 1yum n ASP 13 Cb 0.51 -0.60 0.03 0.00 -0.72 0.00 0.00 41.12 40.34 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 -2.81 2.71 0.37 -0.67 0.04 -1.26 -4.75 135.00 128.63 1yum s PRO 14 Ca 0.44 -0.73 -0.27 0.00 0.04 0.00 0.00 61.00 60.48 1yum s PRO 14 Cb 0.28 -2.53 -0.11 0.00 0.04 0.00 0.00 34.50 32.18 1yum s PRO 14 CO -0.10 -0.56 1.34 1.55 0.04 0.00 0.00 177.00 179.27 1yum n VAL 15 N -2.24 2.13 -4.07 -0.36 3.14 -1.18 -4.70 118.33 111.05 1yum n VAL 15 Ca 0.06 -0.50 -0.14 0.00 -2.96 0.00 0.00 64.34 60.80 1yum n VAL 15 Cb 0.59 -1.69 -0.04 0.00 -1.06 0.00 0.00 33.84 31.64 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 0.25 -1.17 0.27 1.45 1.44 -1.26 -4.75 115.22 111.45 1yum n HIS 16 Ca 0.04 -2.19 0.13 0.00 -2.01 0.00 0.00 57.72 53.69 1yum n HIS 16 Cb 0.38 0.43 0.75 0.00 0.12 0.00 0.00 29.99 31.66 1yum n HIS 16 CO 0.00 0.00 0.00 -0.84 -2.81 0.00 0.00 176.34 172.69 1yum h ILE 17 N 1.91 0.61 -0.20 0.61 3.07 -1.67 0.15 117.51 121.98 1yum h ILE 17 Ca -0.23 -0.43 -0.05 0.00 1.55 0.00 0.00 64.86 65.70 1yum h ILE 17 Cb 1.05 1.27 -0.01 0.00 -0.27 0.00 0.00 36.82 38.87 1yum h ILE 17 CO 0.32 0.10 -0.07 1.23 -1.05 0.00 0.00 178.15 178.68 1yum h GLY 18 N 0.65 0.43 0.85 0.16 0.00 -1.87 1.11 103.07 104.40 1yum h GLY 18 Ca -0.00 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 46.98 1yum h GLY 18 CO 0.01 0.33 0.02 0.45 0.00 0.00 0.00 176.54 177.36 1yum h HIS 19 N 0.10 0.04 -0.13 5.60 3.86 -1.75 -2.78 115.15 120.09 1yum h HIS 19 Ca 0.05 0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.10 1yum h HIS 19 Cb 0.53 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1yum h HIS 19 CO 0.06 0.01 -0.61 0.52 0.86 0.00 0.00 177.93 178.77 1yum h MET 20 N 0.08 0.44 -0.21 2.45 2.86 -0.61 -1.89 114.93 118.05 1yum h MET 20 Ca 0.06 -0.30 -0.11 0.00 -2.06 0.00 0.00 59.70 57.28 1yum h MET 20 Cb 0.05 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1yum h MET 20 CO -0.08 0.92 -0.34 -0.09 1.06 0.00 0.00 176.91 178.38 1yum h ARG 21 N 0.33 0.45 -0.12 1.72 9.65 0.12 -1.93 114.38 124.61 1yum h ARG 21 Ca -0.01 -0.20 -0.07 0.00 -1.10 0.00 0.00 59.98 58.60 1yum h ARG 21 Cb 1.15 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.71 1yum h ARG 21 CO 0.11 0.74 -0.26 1.03 2.80 0.00 0.00 179.97 184.39 1yum h SER 22 N 0.39 0.21 -0.06 -3.80 0.87 -1.29 -1.55 113.55 108.31 1yum h SER 22 Ca 0.04 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1yum h SER 22 Cb 0.79 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1yum h SER 22 CO 0.06 0.47 -0.05 0.00 -0.53 0.00 0.00 176.83 176.79 1yum h ALA 23 N 1.55 0.09 -0.79 6.23 0.00 -0.80 -1.39 119.26 124.15 1yum h ALA 23 Ca 0.03 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.82 1yum h ALA 23 Cb 0.57 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 1yum h ALA 23 CO 0.04 -0.13 0.35 0.28 0.00 0.00 0.00 179.25 179.79 1yum h VAL 24 N -0.27 0.68 -0.32 0.00 2.07 -1.19 0.12 116.25 117.34 1yum h VAL 24 Ca 0.01 -0.17 -0.13 0.00 0.82 0.00 0.00 66.70 67.23 1yum h VAL 24 Cb 0.53 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1yum h VAL 24 CO 0.01 0.09 -0.32 -0.33 0.02 0.00 0.00 177.57 177.05 1yum h GLU 25 N 0.50 0.79 -0.02 1.57 5.08 -1.18 -1.72 114.58 119.61 1yum h GLU 25 Ca 0.43 -0.41 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 1yum h GLU 25 Cb 0.64 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1yum h GLU 25 CO -0.39 1.04 -0.85 1.98 -1.00 0.00 0.00 179.01 179.79 1yum h MET 26 N 0.56 0.32 0.00 2.33 4.05 -0.35 0.32 114.93 122.15 1yum h MET 26 Ca 0.05 -0.32 -0.03 0.00 -0.28 0.00 0.00 59.70 59.12 1yum h MET 26 Cb 0.89 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.77 1yum h MET 26 CO 0.08 1.00 -0.15 0.00 0.23 0.00 0.00 176.91 178.07 1yum h ALA 27 N 0.90 1.27 0.01 0.39 0.00 -0.66 -0.77 119.26 120.40 1yum h ALA 27 Ca -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1yum h ALA 27 Cb 1.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1yum h ALA 27 CO 0.14 0.19 -0.10 1.49 0.00 0.00 0.00 179.25 180.96 1yum h GLU 28 N 0.00 0.04 -0.51 0.00 4.81 -1.10 -1.20 114.58 116.62 1yum h GLU 28 Ca -0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1yum h GLU 28 Cb 0.41 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1yum h GLU 28 CO 0.02 0.98 0.30 0.37 -0.73 0.00 0.00 179.01 179.95 1yum h GLN 29 N -0.86 0.68 -0.56 1.92 4.15 -0.67 -2.34 115.11 117.43 1yum h GLN 29 Ca -0.02 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1yum h GLN 29 Cb 1.03 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.57 1yum h GLN 29 CO 0.02 0.49 0.00 1.19 -1.93 0.00 0.00 178.83 178.60 1yum n PHE 30 N -4.43 1.27 -4.35 3.99 3.01 -0.32 -4.97 117.46 111.67 1yum n PHE 30 Ca 0.04 -0.63 -0.35 0.00 1.01 0.00 0.00 57.45 57.53 1yum n PHE 30 Cb 0.08 -0.22 -0.08 0.00 -0.01 0.00 0.00 39.48 39.25 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 0.85 -1.67 -1.76 4.37 0.00 -0.88 -4.89 120.51 116.53 1yum n ALA 31 Ca 0.23 -0.29 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 1yum n ALA 31 Cb 0.82 -1.70 0.03 0.00 0.00 0.00 0.00 19.45 18.60 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 -7.29 3.75 0.10 0.00 1.43 -0.48 -4.87 118.68 111.32 1yum s LEU 32 Ca 0.35 2.42 -0.13 0.00 -1.03 0.00 0.00 54.13 55.74 1yum s LEU 32 Cb -0.20 -4.50 -0.16 0.00 0.03 0.00 0.00 46.19 41.35 1yum s LEU 32 CO 0.99 -1.47 1.30 0.44 0.23 0.00 0.00 176.35 177.83 1yum h ASP 33 N 1.15 0.95 -4.57 2.29 3.32 -1.41 -3.46 116.42 114.68 1yum h ASP 33 Ca -0.50 -0.64 -0.11 0.00 0.02 0.00 0.00 57.03 55.80 1yum h ASP 33 Cb 1.29 -0.28 -0.21 0.00 0.22 0.00 0.00 39.33 40.35 1yum h ASP 33 CO 0.56 1.43 -0.17 -1.83 -1.72 0.00 0.00 179.24 177.51 1yum s GLU 34 N -3.72 0.67 -0.17 3.56 -1.05 -1.19 -4.60 118.70 112.19 1yum s GLU 34 Ca -0.10 0.19 -0.02 0.00 -0.15 0.00 0.00 54.97 54.88 1yum s GLU 34 Cb 0.08 0.31 -0.01 0.00 -0.44 0.00 0.00 34.13 34.07 1yum s GLU 34 CO 0.91 -0.16 -0.09 -1.17 0.95 0.00 0.00 175.26 175.70 1yum s LEU 35 N -0.71 2.82 -0.27 1.83 2.96 0.17 -1.16 118.68 124.32 1yum s LEU 35 Ca -0.08 -0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 53.39 1yum s LEU 35 Cb -0.04 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1yum s LEU 35 CO 0.04 0.09 0.14 -0.13 -1.32 0.00 0.00 176.35 175.16 1yum s ARG 36 N 0.82 3.83 0.14 1.98 0.52 0.13 -1.11 118.95 125.27 1yum s ARG 36 Ca -0.03 -0.38 -0.31 0.00 -0.52 0.00 0.00 55.73 54.49 1yum s ARG 36 Cb -0.15 -3.52 -0.08 0.00 0.52 0.00 0.00 34.95 31.72 1yum s ARG 36 CO 0.01 -0.17 1.35 -0.51 0.02 0.00 0.00 175.30 176.00 1yum s LEU 37 N 1.67 4.39 -0.67 2.53 1.02 0.10 -0.78 118.68 126.92 1yum s LEU 37 Ca 0.07 2.34 0.02 0.00 0.02 0.00 0.00 54.13 56.58 1yum s LEU 37 Cb -0.16 -3.59 0.17 0.00 0.02 0.00 0.00 46.19 42.63 1yum s LEU 37 CO 0.08 -0.60 0.47 -0.22 0.02 0.00 0.00 176.35 176.10 1yum s LEU 38 N 0.66 4.88 0.26 1.79 2.96 0.64 -1.36 118.68 128.51 1yum s LEU 38 Ca 0.62 -3.44 -0.30 0.00 -0.22 0.00 0.00 54.13 50.78 1yum s LEU 38 Cb -0.36 -1.72 -0.10 0.00 0.50 0.00 0.00 46.19 44.50 1yum s LEU 38 CO 0.33 -0.19 1.50 -2.16 -1.32 0.00 0.00 176.35 174.51 1yum s PRO 39 N -0.89 4.22 0.18 0.98 0.04 -1.26 -2.19 135.00 136.08 1yum s PRO 39 Ca 0.22 2.40 -0.02 0.00 0.04 0.00 0.00 61.00 63.63 1yum s PRO 39 Cb -0.14 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 1yum s PRO 39 CO -0.09 -0.50 0.39 -0.80 0.04 0.00 0.00 177.00 176.04 1yum s ASN 40 N 0.46 6.42 0.57 6.66 0.02 -0.24 -4.44 114.94 124.39 1yum s ASN 40 Ca 0.61 0.47 -0.15 0.00 -1.02 0.00 0.00 52.86 52.77 1yum s ASN 40 Cb -0.44 -2.04 -0.05 0.00 0.02 0.00 0.00 41.25 38.74 1yum s ASN 40 CO 0.44 -0.02 1.02 0.00 0.02 0.00 0.00 177.10 178.56 1yum s ALA 41 N -1.81 2.95 0.21 0.60 0.00 -1.26 -4.88 121.76 117.57 1yum s ALA 41 Ca 0.39 0.17 -0.19 0.00 0.00 0.00 0.00 51.96 52.33 1yum s ALA 41 Cb -0.11 -3.15 0.04 0.00 0.00 0.00 0.00 23.12 19.90 1yum s ALA 41 CO 0.28 -0.58 0.58 -0.98 0.00 0.00 0.00 175.76 175.07 1yum s ARG 42 N -4.39 1.45 0.32 0.00 1.70 -1.26 -4.68 118.95 112.09 1yum s ARG 42 Ca 0.59 -0.80 -0.28 0.00 -0.47 0.00 0.00 55.73 54.76 1yum s ARG 42 Cb -0.12 0.56 -0.13 0.00 -0.57 0.00 0.00 34.95 34.69 1yum s ARG 42 CO 0.40 -0.63 1.23 -2.30 -1.08 0.00 0.00 175.30 172.92 1yum n PRO 43 N -0.38 1.94 -0.32 3.89 -0.02 -1.26 -4.72 135.00 134.13 1yum n PRO 43 Ca -0.10 0.68 0.25 0.00 -2.02 0.00 0.00 63.50 62.31 1yum n PRO 43 Cb 0.62 -2.22 0.55 0.00 -0.02 0.00 0.00 33.50 32.44 1yum n PRO 43 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1yum h PRO 44 N 2.54 0.31 0.00 0.52 0.11 -2.00 0.30 132.00 133.78 1yum h PRO 44 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1yum h PRO 44 Cb 1.30 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1yum h PRO 44 CO 0.63 0.20 0.00 -2.39 -0.21 0.00 0.00 178.00 176.23 1yum n HIS 45 N -4.56 0.00 -0.28 0.65 1.44 -1.26 -2.42 115.22 108.79 1yum n HIS 45 Ca 0.25 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 56.04 1yum n HIS 45 Cb 0.95 -0.22 0.20 0.00 0.12 0.00 0.00 29.99 31.04 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 -1.22 2.89 -2.08 -1.40 5.12 0.10 -4.94 116.66 115.14 1yum n ARG 46 Ca 0.16 -2.24 -0.33 0.00 -1.93 0.00 0.00 57.85 53.51 1yum n ARG 46 Cb 0.21 -1.38 0.01 0.00 -1.16 0.00 0.00 32.46 30.13 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 -1.14 3.33 0.16 5.56 0.41 -1.02 -4.98 118.70 121.03 1yum s GLU 47 Ca 0.30 1.23 -0.31 0.00 -0.41 0.00 0.00 54.97 55.78 1yum s GLU 47 Cb 0.17 -2.03 -0.09 0.00 -1.78 0.00 0.00 34.13 30.39 1yum s GLU 47 CO 0.19 -0.80 1.43 0.99 -0.49 0.00 0.00 175.26 176.58 1yum s THR 48 N -2.40 2.99 0.25 3.63 2.01 -1.25 -4.88 115.64 115.99 1yum s THR 48 Ca 0.64 0.75 -0.31 0.00 0.31 0.00 0.00 61.69 63.08 1yum s THR 48 Cb -0.16 -3.48 -0.13 0.00 0.01 0.00 0.00 72.50 68.74 1yum s THR 48 CO 0.36 0.08 1.41 -2.65 -0.69 0.00 0.00 174.62 173.12 1yum n PRO 49 N 3.46 2.07 -2.32 4.92 -0.02 -1.26 -1.28 135.00 140.57 1yum n PRO 49 Ca 0.10 0.73 -0.16 0.00 -2.02 0.00 0.00 63.50 62.15 1yum n PRO 49 Cb 0.41 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1yum n PRO 49 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1yum n GLN 50 N 1.93 -1.90 -3.83 -0.52 7.27 -1.26 -4.84 117.38 114.22 1yum n GLN 50 Ca 0.11 0.82 -0.29 0.00 0.07 0.00 0.00 57.00 57.70 1yum n GLN 50 Cb 0.32 -5.41 -0.16 0.00 2.41 0.00 0.00 30.24 27.40 1yum n GLN 50 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1yum s VAL 51 N -2.77 1.05 0.68 1.69 1.01 -0.41 -4.70 120.40 116.95 1yum s VAL 51 Ca 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 1yum s VAL 51 Cb 0.00 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.93 1yum s VAL 51 CO 0.00 -0.23 1.01 -0.94 0.00 0.00 0.00 175.10 174.94 1yum s SER 52 N 1.60 5.18 0.27 3.32 1.04 -1.26 -3.97 113.70 119.89 1yum s SER 52 Ca -0.01 0.72 0.01 0.00 0.48 0.00 0.00 55.95 57.15 1yum s SER 52 Cb -0.18 -1.50 0.61 0.00 0.10 0.00 0.00 66.02 65.05 1yum s SER 52 CO -0.09 -1.40 1.75 0.00 0.98 0.00 0.00 173.24 174.47 1yum h ALA 53 N -0.52 1.36 0.00 5.32 0.00 -1.96 -1.22 119.26 122.25 1yum h ALA 53 Ca -0.45 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1yum h ALA 53 Cb 1.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1yum h ALA 53 CO 0.62 -0.15 -0.28 0.00 0.00 0.00 0.00 179.25 179.44 1yum h ALA 54 N 1.61 1.10 0.08 0.00 0.00 -1.97 -2.21 119.26 117.86 1yum h ALA 54 Ca 0.50 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.91 1yum h ALA 54 Cb 0.79 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1yum h ALA 54 CO -0.41 0.34 -1.18 1.96 0.00 0.00 0.00 179.25 179.96 1yum h GLN 55 N 0.00 0.16 -0.50 0.00 4.20 -1.71 -1.91 115.11 115.35 1yum h GLN 55 Ca -0.00 -0.27 0.09 0.00 0.06 0.00 0.00 58.65 58.53 1yum h GLN 55 Cb 0.71 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.52 1yum h GLN 55 CO 0.04 1.11 0.07 0.00 -0.67 0.00 0.00 178.83 179.37 1yum h ARG 56 N 0.04 0.19 -0.34 1.46 3.08 -1.06 -1.35 114.38 116.41 1yum h ARG 56 Ca -0.10 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.98 1yum h ARG 56 Cb 1.90 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.87 1yum h ARG 56 CO 0.17 0.12 0.13 1.25 -1.07 0.00 0.00 179.97 180.57 1yum h LEU 57 N 0.19 0.15 -1.17 3.04 5.85 -1.33 -1.59 115.31 120.45 1yum h LEU 57 Ca 0.25 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1yum h LEU 57 Cb 0.35 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1yum h LEU 57 CO -0.36 0.12 0.49 0.00 -0.34 0.00 0.00 178.44 178.36 1yum h ALA 58 N 1.21 1.38 -0.29 1.25 0.00 -0.48 0.24 119.26 122.56 1yum h ALA 58 Ca 0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1yum h ALA 58 Cb 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1yum h ALA 58 CO -0.15 0.55 0.01 0.52 0.00 0.00 0.00 179.25 180.19 1yum h MET 59 N 1.08 0.51 -0.75 0.00 2.86 -0.94 0.16 114.93 117.85 1yum h MET 59 Ca 0.29 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1yum h MET 59 Cb -0.07 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 1yum h MET 59 CO -0.06 0.64 0.37 0.28 1.06 0.00 0.00 176.91 179.21 1yum h VAL 60 N 0.31 1.23 -0.73 -2.22 2.07 -0.72 -0.58 116.25 115.61 1yum h VAL 60 Ca 0.09 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 67.03 1yum h VAL 60 Cb 0.41 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 1yum h VAL 60 CO 0.01 0.27 0.42 -0.33 0.02 0.00 0.00 177.57 177.97 1yum h GLU 61 N 1.06 0.74 -0.29 1.57 5.08 -0.02 -1.04 114.58 121.69 1yum h GLU 61 Ca 0.26 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1yum h GLU 61 Cb 0.09 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1yum h GLU 61 CO -0.04 0.49 0.00 0.00 -1.00 0.00 0.00 179.01 178.47 1yum h ARG 62 N 0.77 0.43 -0.06 2.33 2.47 -0.16 0.03 114.38 120.19 1yum h ARG 62 Ca 0.32 -0.08 -0.10 0.00 -1.26 0.00 0.00 59.98 58.86 1yum h ARG 62 Cb 0.19 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 1yum h ARG 62 CO -0.18 0.46 -0.43 0.00 0.56 0.00 0.00 179.97 180.38 1yum h ALA 63 N 1.59 1.17 -0.00 0.04 0.00 0.17 -3.22 119.26 119.02 1yum h ALA 63 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1yum h ALA 63 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1yum h ALA 63 CO 0.01 0.58 -0.59 1.33 0.00 0.00 0.00 179.25 180.57 1yum n VAL 64 N -4.02 0.00 -1.70 0.00 0.24 -0.85 -4.81 118.33 107.19 1yum n VAL 64 Ca -0.02 -0.20 -0.56 0.00 -2.04 0.00 0.00 64.34 61.53 1yum n VAL 64 Cb 0.48 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.80 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 -1.16 0.04 -1.42 2.33 0.00 -0.04 -0.31 120.51 119.95 1yum n ALA 65 Ca 0.03 0.36 -0.14 0.00 0.00 0.00 0.00 53.44 53.69 1yum n ALA 65 Cb 0.22 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.33 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 4.23 1.48 3.79 0.00 0.00 -1.26 -5.02 105.19 108.42 1yum n GLY 66 Ca 0.26 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.51 4.85 0.17 1.61 1.01 0.58 -5.07 120.40 121.04 1yum s VAL 67 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 1yum s VAL 67 Cb 0.00 -3.18 -0.07 0.00 0.00 0.00 0.00 36.38 33.13 1yum s VAL 67 CO 0.00 0.43 0.99 -1.83 0.00 0.00 0.00 175.10 174.69 1yum s GLU 68 N -1.50 4.72 0.00 2.72 1.03 -1.26 -3.61 118.70 120.79 1yum s GLU 68 Ca 0.20 1.53 0.00 0.00 0.03 0.00 0.00 54.97 56.74 1yum s GLU 68 Cb -0.12 -3.32 0.00 0.00 -0.80 0.00 0.00 34.13 29.89 1yum s GLU 68 CO 0.11 0.26 0.00 0.54 -1.33 0.00 0.00 175.26 174.84 1yum n ARG 69 N 2.29 -0.20 -5.10 -4.83 1.74 -1.26 -5.01 116.66 104.29 1yum n ARG 69 Ca 0.01 0.05 -0.29 0.00 -0.77 0.00 0.00 57.85 56.85 1yum n ARG 69 Cb 0.48 -3.14 -0.16 0.00 -1.02 0.00 0.00 32.46 28.62 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 2.01 0.00 0.55 1.43 -1.24 0.42 118.68 121.86 1yum s LEU 70 Ca 0.00 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1yum s LEU 70 Cb 0.00 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 1yum s LEU 70 CO 0.00 0.21 0.29 0.35 0.23 0.00 0.00 176.35 177.43 1yum n THR 71 N 3.00 0.00 -4.75 5.49 -2.24 -0.27 -4.75 114.28 110.76 1yum n THR 71 Ca -0.18 -1.71 -0.28 0.00 -2.27 0.00 0.00 64.05 59.61 1yum n THR 71 Cb 0.52 0.92 -0.17 0.00 -2.10 0.00 0.00 70.33 69.50 1yum n THR 71 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1yum s VAL 72 N -2.93 1.56 -0.29 2.28 1.01 -1.26 -0.73 120.40 120.03 1yum s VAL 72 Ca 0.28 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 1yum s VAL 72 Cb 0.01 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.00 1yum s VAL 72 CO 0.20 0.45 0.10 -0.62 0.00 0.00 0.00 175.10 175.23 1yum s ASP 73 N 0.66 5.27 0.00 3.32 3.68 -0.46 -4.91 116.67 124.22 1yum s ASP 73 Ca -0.14 -0.57 0.17 0.00 2.13 0.00 0.00 52.55 54.15 1yum s ASP 73 Cb -0.16 -1.93 0.57 0.00 -1.45 0.00 0.00 42.92 39.95 1yum s ASP 73 CO 0.04 -0.17 1.43 -0.81 0.13 0.00 0.00 175.17 175.79 1yum n PRO 74 N 4.92 1.78 -0.26 4.34 -0.04 -1.26 -4.13 135.00 140.35 1yum n PRO 74 Ca -0.15 -1.19 0.17 0.00 -0.04 0.00 0.00 63.50 62.30 1yum n PRO 74 Cb 0.49 -1.35 0.47 0.00 -0.04 0.00 0.00 33.50 33.07 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 2.19 0.47 0.00 0.54 0.11 -1.93 0.26 114.38 116.01 1yum h ARG 75 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1yum h ARG 75 Cb 0.49 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.46 1yum h ARG 75 CO 0.00 0.31 0.00 0.39 0.10 0.00 0.00 179.97 180.77 1yum n GLU 76 N -4.55 0.25 0.00 0.08 1.02 -1.26 -2.47 120.64 113.71 1yum n GLU 76 Ca 0.19 0.29 0.12 0.00 -0.02 0.00 0.00 57.16 57.75 1yum n GLU 76 Cb 0.65 -1.84 0.24 0.00 -0.02 0.00 0.00 31.44 30.47 1yum n GLU 76 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1yum n LEU 77 N -2.30 0.58 -3.43 -4.62 4.77 0.89 -4.12 117.00 108.78 1yum n LEU 77 Ca 0.04 -0.05 -0.36 0.00 -0.03 0.00 0.00 56.01 55.61 1yum n LEU 77 Cb 0.37 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1yum n LEU 77 CO 0.27 0.14 0.95 0.00 -1.33 0.00 0.00 177.39 177.42 1yum n GLN 78 N -1.42 4.57 -3.68 3.23 6.02 -1.03 -4.95 117.38 120.13 1yum n GLN 78 Ca 0.06 -4.73 -0.11 0.00 -0.01 0.00 0.00 57.00 52.21 1yum n GLN 78 Cb 0.34 -2.39 -0.06 0.00 1.02 0.00 0.00 30.24 29.15 1yum n GLN 78 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1yum s ARG 79 N -3.89 0.98 0.00 -1.09 0.52 -1.26 -5.00 118.95 109.20 1yum s ARG 79 Ca 0.42 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1yum s ARG 79 Cb 0.21 0.43 0.00 0.00 0.52 0.00 0.00 34.95 36.11 1yum s ARG 79 CO -0.11 -0.36 0.43 -0.25 0.02 0.00 0.00 175.30 175.02 1yum n ASP 80 N 0.06 0.00 -3.84 0.23 10.43 -1.26 -4.77 116.55 117.40 1yum n ASP 80 Ca -0.17 0.43 -0.25 0.00 2.57 0.00 0.00 54.79 57.37 1yum n ASP 80 Cb 0.62 -0.18 -0.08 0.00 1.84 0.00 0.00 41.12 43.33 1yum n ASP 80 CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 1yum n LYS 81 N -2.01 0.54 -0.42 -1.24 -0.00 -1.26 -5.13 118.16 108.64 1yum n LYS 81 Ca 0.00 -3.55 -0.29 0.00 -0.00 0.00 0.00 58.31 54.47 1yum n LYS 81 Cb 0.00 2.10 0.27 0.00 -0.00 0.00 0.00 35.03 37.40 1yum n LYS 81 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1yum n PRO 82 N -0.90 -3.07 0.00 -1.58 -0.02 -1.26 -4.98 135.00 123.19 1yum n PRO 82 Ca -0.03 -0.88 0.00 0.00 -2.02 0.00 0.00 63.50 60.56 1yum n PRO 82 Cb 0.63 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1yum n PRO 82 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1yum n SER 83 N -5.00 0.00 -4.41 2.55 2.88 -1.26 -5.05 113.62 103.33 1yum n SER 83 Ca 0.04 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.29 1yum n SER 83 Cb 0.56 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.89 1yum n SER 83 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1yum s TYR 84 N 2.14 2.38 0.30 0.66 1.51 -1.26 -5.03 117.35 118.05 1yum s TYR 84 Ca 0.00 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.75 1yum s TYR 84 Cb 0.00 -1.31 0.68 0.00 -0.11 0.00 0.00 41.96 41.22 1yum s TYR 84 CO 0.00 0.31 1.80 1.15 -1.11 0.00 0.00 175.55 177.70 1yum h THR 85 N 3.87 0.79 -0.46 -0.71 2.02 -2.01 -2.07 112.91 114.33 1yum h THR 85 Ca -0.50 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 1yum h THR 85 Cb 1.16 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1yum h THR 85 CO 0.42 0.15 0.28 -0.29 0.37 0.00 0.00 175.52 176.46 1yum h ILE 86 N 0.85 1.13 -0.47 3.11 6.09 -1.95 0.76 117.51 127.03 1yum h ILE 86 Ca 0.55 -0.27 -0.04 0.00 -1.37 0.00 0.00 64.86 63.73 1yum h ILE 86 Cb 0.75 0.48 -0.02 0.00 0.47 0.00 0.00 36.82 38.49 1yum h ILE 86 CO -0.34 0.13 0.13 0.44 -3.07 0.00 0.00 178.15 175.44 1yum h ASP 87 N 0.62 0.65 -0.22 2.19 3.32 -1.76 0.27 116.42 121.50 1yum h ASP 87 Ca 0.17 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1yum h ASP 87 Cb -0.04 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1yum h ASP 87 CO -0.03 0.64 -0.05 0.74 -1.72 0.00 0.00 179.24 178.81 1yum h THR 88 N 0.69 1.28 -0.34 0.35 2.02 -0.90 -0.39 112.91 115.63 1yum h THR 88 Ca 0.16 -1.04 0.07 0.00 0.77 0.00 0.00 66.41 66.37 1yum h THR 88 Cb 0.24 1.53 -0.08 0.00 -1.74 0.00 0.00 68.15 68.09 1yum h THR 88 CO -0.00 0.32 -0.30 -0.07 0.37 0.00 0.00 175.52 175.83 1yum h LEU 89 N 0.14 -0.98 -0.62 2.58 3.38 -1.15 0.70 115.31 119.35 1yum h LEU 89 Ca 0.05 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1yum h LEU 89 Cb 0.50 0.46 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1yum h LEU 89 CO 0.02 -0.31 0.31 -0.33 0.09 0.00 0.00 178.44 178.22 1yum h GLU 90 N -0.26 0.89 -0.01 1.13 5.08 -0.76 0.76 114.58 121.40 1yum h GLU 90 Ca 0.16 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1yum h GLU 90 Cb 0.52 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1yum h GLU 90 CO -0.48 0.70 0.00 1.03 -1.00 0.00 0.00 179.01 179.26 1yum h SER 91 N 0.85 0.01 -0.87 1.42 0.87 -0.68 -1.87 113.55 113.29 1yum h SER 91 Ca 0.22 -0.13 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1yum h SER 91 Cb 0.09 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.00 1yum h SER 91 CO -0.03 0.14 0.56 0.58 -0.53 0.00 0.00 176.83 177.55 1yum h VAL 92 N -0.11 1.15 0.00 2.23 2.07 0.50 -2.41 116.25 119.68 1yum h VAL 92 Ca 0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1yum h VAL 92 Cb 0.13 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1yum h VAL 92 CO -0.00 0.20 0.00 -1.14 0.02 0.00 0.00 177.57 176.65 1yum n ARG 93 N -4.53 0.60 0.02 1.57 3.00 0.25 -1.89 116.66 115.69 1yum n ARG 93 Ca 0.11 0.02 0.11 0.00 -0.00 0.00 0.00 57.85 58.09 1yum n ARG 93 Cb 0.08 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 30.92 1yum n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1yum n ALA 94 N -1.08 2.73 1.13 5.13 0.00 -0.73 -3.95 120.51 123.73 1yum n ALA 94 Ca 0.15 -0.43 0.12 0.00 0.00 0.00 0.00 53.44 53.28 1yum n ALA 94 Cb 0.11 -0.86 0.34 0.00 0.00 0.00 0.00 19.45 19.03 1yum n ALA 94 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yum n GLU 95 N -2.39 1.97 -4.08 0.00 1.02 -0.79 -4.93 120.64 111.44 1yum n GLU 95 Ca -0.03 -1.43 -0.26 0.00 -0.02 0.00 0.00 57.16 55.42 1yum n GLU 95 Cb 0.56 -1.46 -0.05 0.00 -0.02 0.00 0.00 31.44 30.47 1yum n GLU 95 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1yum s LEU 96 N -1.80 3.83 0.57 -4.62 1.43 -1.10 -5.11 118.68 111.88 1yum s LEU 96 Ca 0.34 -0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 53.16 1yum s LEU 96 Cb 0.20 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1yum s LEU 96 CO 0.30 0.07 1.08 0.00 0.23 0.00 0.00 176.35 178.03 1yum s ALA 97 N -1.74 2.71 0.51 4.21 0.00 -1.26 -4.94 121.76 121.25 1yum s ALA 97 Ca 0.31 0.55 0.19 0.00 0.00 0.00 0.00 51.96 53.01 1yum s ALA 97 Cb -0.10 -3.28 1.27 0.00 0.00 0.00 0.00 23.12 21.02 1yum s ALA 97 CO 0.24 -0.78 2.06 0.00 0.00 0.00 0.00 175.76 177.28 1yum h ALA 98 N 0.75 2.19 -0.42 0.00 0.00 -1.99 -2.07 119.26 117.72 1yum h ALA 98 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1yum h ALA 98 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1yum h ALA 98 CO 0.57 -0.27 0.00 -0.25 0.00 0.00 0.00 179.25 179.30 1yum n ASP 99 N -4.46 3.45 -4.77 0.00 10.43 -1.26 -4.82 116.55 115.12 1yum n ASP 99 Ca 0.04 -2.23 -0.40 0.00 2.57 0.00 0.00 54.79 54.77 1yum n ASP 99 Cb 0.33 -0.36 -0.01 0.00 1.84 0.00 0.00 41.12 42.92 1yum n ASP 99 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1yum s ASP 100 N -1.15 6.45 -0.17 -2.24 1.01 -0.78 -4.55 116.67 115.24 1yum s ASP 100 Ca 0.33 2.82 -0.08 0.00 0.71 0.00 0.00 52.55 56.33 1yum s ASP 100 Cb 0.20 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 1yum s ASP 100 CO 0.18 -0.77 0.10 -1.10 0.21 0.00 0.00 175.17 173.79 1yum s GLN 101 N -2.05 3.86 -0.06 8.23 -0.21 0.29 -4.49 119.66 125.24 1yum s GLN 101 Ca 0.53 -0.24 0.06 0.00 0.02 0.00 0.00 55.36 55.72 1yum s GLN 101 Cb -0.42 -3.26 -0.01 0.00 1.00 0.00 0.00 33.01 30.32 1yum s GLN 101 CO 0.56 0.44 -0.23 -1.17 -2.12 0.00 0.00 175.29 172.76 1yum s LEU 102 N -0.07 2.17 -0.20 2.90 2.96 -0.83 0.30 118.68 125.91 1yum s LEU 102 Ca 0.09 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 1yum s LEU 102 Cb -0.12 -1.40 0.05 0.00 0.50 0.00 0.00 46.19 45.22 1yum s LEU 102 CO 0.00 0.25 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.84 1yum s PHE 103 N -0.18 2.28 -0.33 5.38 0.40 0.21 -0.59 117.98 125.15 1yum s PHE 103 Ca -0.03 -1.53 -0.12 0.00 -0.60 0.00 0.00 56.93 54.65 1yum s PHE 103 Cb -0.14 -1.57 -0.03 0.00 0.51 0.00 0.00 43.02 41.80 1yum s PHE 103 CO 0.03 -0.73 0.23 1.41 0.70 0.00 0.00 175.22 176.87 1yum s MET 104 N 1.44 3.61 -0.06 0.44 -2.45 -0.68 0.02 119.30 121.62 1yum s MET 104 Ca -0.02 -0.55 -0.20 0.00 -1.25 0.00 0.00 55.69 53.66 1yum s MET 104 Cb -0.17 -3.77 -0.05 0.00 1.25 0.00 0.00 34.83 32.10 1yum s MET 104 CO -0.08 -0.38 0.58 -1.17 1.05 0.00 0.00 175.02 175.02 1yum s LEU 105 N 1.74 4.35 0.05 4.11 2.96 -0.51 -0.26 118.68 131.13 1yum s LEU 105 Ca 0.07 1.06 -0.08 0.00 -0.22 0.00 0.00 54.13 54.96 1yum s LEU 105 Cb -0.17 -2.89 -0.00 0.00 0.50 0.00 0.00 46.19 43.63 1yum s LEU 105 CO 0.11 0.02 0.15 0.27 -1.32 0.00 0.00 176.35 175.58 1yum s ILE 106 N 0.30 0.13 0.74 6.68 -4.36 0.42 -4.29 121.20 120.82 1yum s ILE 106 Ca 0.31 -1.08 -0.11 0.00 -0.26 0.00 0.00 60.65 59.51 1yum s ILE 106 Cb -0.17 -1.07 0.03 0.00 1.25 0.00 0.00 42.46 42.50 1yum s ILE 106 CO 0.15 -0.60 1.08 -0.83 0.24 0.00 0.00 174.94 174.98 1yum s GLY 107 N -2.37 1.65 0.06 6.27 0.00 -1.26 -0.77 107.32 110.90 1yum s GLY 107 Ca -0.01 -0.03 -0.29 0.00 0.00 0.00 0.00 44.72 44.39 1yum s GLY 107 CO -0.07 0.33 1.57 -0.25 0.00 0.00 0.00 173.10 174.68 1yum h TRP 108 N -0.88 -0.51 -0.76 1.90 2.91 -1.86 0.54 115.95 117.28 1yum h TRP 108 Ca -0.45 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.50 1yum h TRP 108 Cb 1.23 0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 30.02 1yum h TRP 108 CO 0.55 -0.27 0.25 -0.44 -1.03 0.00 0.00 178.44 177.50 1yum h ASP 109 N -0.63 1.09 -0.21 2.65 3.32 -1.91 0.56 116.42 121.28 1yum h ASP 109 Ca -0.06 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1yum h ASP 109 Cb 0.47 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1yum h ASP 109 CO 0.09 1.00 0.14 0.00 -1.72 0.00 0.00 179.24 178.75 1yum h ALA 110 N 1.13 1.88 -0.23 3.45 0.00 -1.91 -2.54 119.26 121.04 1yum h ALA 110 Ca 0.25 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1yum h ALA 110 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1yum h ALA 110 CO -0.01 0.10 -0.01 0.35 0.00 0.00 0.00 179.25 179.68 1yum h PHE 111 N 0.26 0.45 0.00 0.00 3.57 0.50 -2.78 116.94 118.94 1yum h PHE 111 Ca 0.08 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1yum h PHE 111 Cb 0.01 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.64 1yum h PHE 111 CO -0.00 0.60 0.00 0.00 -2.23 0.00 0.00 178.31 176.68 1yum n GLY 113 N -1.03 0.81 0.39 0.00 0.00 -1.05 -4.52 105.19 99.79 1yum n GLY 113 Ca -0.01 -0.61 0.17 0.00 0.00 0.00 0.00 46.02 45.56 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 3.88 0.54 -2.51 0.99 5.85 -1.34 0.43 115.31 123.16 1yum h LEU 114 Ca 0.00 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1yum h LEU 114 Cb 0.83 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1yum h LEU 114 CO 0.00 0.21 -0.01 -0.65 -0.34 0.00 0.00 178.44 177.65 1yum h PRO 115 N 0.54 0.00 -0.82 5.25 0.11 -1.82 0.48 132.00 135.74 1yum h PRO 115 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1yum h PRO 115 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1yum h PRO 115 CO -0.25 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 177.80 1yum n THR 116 N -3.16 0.84 -4.01 -1.15 -2.24 0.14 -4.87 114.28 99.83 1yum n THR 116 Ca -0.02 -0.44 -0.24 0.00 -2.27 0.00 0.00 64.05 61.08 1yum n THR 116 Cb 0.14 -0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 1yum n THR 116 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1yum s TRP 117 N -1.58 3.35 0.10 4.78 0.52 0.16 -5.09 118.94 121.19 1yum s TRP 117 Ca 0.17 0.02 -0.31 0.00 0.02 0.00 0.00 56.10 56.01 1yum s TRP 117 Cb 0.13 -1.57 -0.07 0.00 -1.15 0.00 0.00 33.47 30.81 1yum s TRP 117 CO 0.06 0.50 1.33 -1.58 0.02 0.00 0.00 176.95 177.27 1yum s HIS 118 N -1.85 3.30 -1.32 -1.98 2.46 -1.26 -3.14 115.29 111.50 1yum s HIS 118 Ca 0.33 1.07 -0.08 0.00 0.47 0.00 0.00 55.06 56.85 1yum s HIS 118 Cb -0.10 -3.60 0.06 0.00 -0.13 0.00 0.00 32.58 28.81 1yum s HIS 118 CO 0.27 -2.03 0.50 0.54 -2.47 0.00 0.00 174.74 171.55 1yum n ARG 119 N 3.87 -3.62 0.23 2.88 1.74 -1.26 -4.63 116.66 115.88 1yum n ARG 119 Ca 0.10 0.55 0.18 0.00 -0.77 0.00 0.00 57.85 57.91 1yum n ARG 119 Cb 0.43 -5.28 0.86 0.00 -1.02 0.00 0.00 32.46 27.46 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 -1.02 0.00 0.00 -1.55 5.08 -1.85 0.36 115.95 116.97 1yum h TRP 120 Ca -0.44 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.53 1yum h TRP 120 Cb 1.30 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.46 1yum h TRP 120 CO 0.65 0.00 0.00 0.93 -1.28 0.00 0.00 178.44 178.74 1yum h GLU 121 N 0.00 0.00 -0.01 0.12 5.08 -1.89 -3.12 114.58 114.76 1yum h GLU 121 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1yum h GLU 121 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1yum h GLU 121 CO -0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 179.01 177.60 1yum n ALA 122 N -1.85 3.42 -0.12 3.43 0.00 0.12 -4.32 120.51 121.19 1yum n ALA 122 Ca 0.05 -0.50 -0.05 0.00 0.00 0.00 0.00 53.44 52.95 1yum n ALA 122 Cb 0.44 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.93 1yum n ALA 122 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1yum h LEU 123 N 1.41 -0.02 0.00 0.00 3.38 -1.51 -1.30 115.31 117.27 1yum h LEU 123 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1yum h LEU 123 Cb 0.59 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1yum h LEU 123 CO 0.00 0.02 0.00 0.18 0.09 0.00 0.00 178.44 178.73 1yum n LEU 124 N -5.11 0.00 0.23 1.67 4.77 -1.26 -1.75 117.00 115.54 1yum n LEU 124 Ca 0.03 0.34 0.16 0.00 -0.03 0.00 0.00 56.01 56.51 1yum n LEU 124 Cb 0.19 -0.34 0.76 0.00 -2.33 0.00 0.00 43.42 41.70 1yum n LEU 124 CO 0.22 -0.09 0.97 0.44 -1.33 0.00 0.00 177.39 177.60 1yum h ASP 125 N 0.00 0.00 0.00 -1.43 3.32 -1.47 -2.80 116.42 114.04 1yum h ASP 125 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1yum h ASP 125 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1yum h ASP 125 CO 0.00 0.00 -0.04 1.41 -1.72 0.00 0.00 179.24 178.89 1yum n HIS 126 N -2.65 0.00 -3.78 4.55 8.25 -0.72 -4.86 115.22 116.02 1yum n HIS 126 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 1yum n HIS 126 Cb 0.15 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 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 -3.89 3.51 -0.21 0.00 0.09 0.24 -0.84 115.29 114.18 1yum s HIS 128 Ca 0.11 0.74 -0.08 0.00 -0.00 0.00 0.00 55.06 55.82 1yum s HIS 128 Cb -0.02 -2.14 -0.04 0.00 -0.00 0.00 0.00 32.58 30.38 1yum s HIS 128 CO 0.00 0.42 0.09 0.42 -0.00 0.00 0.00 174.74 175.68 1yum s ILE 129 N -1.59 4.90 -0.21 0.60 1.01 0.08 -1.69 121.20 124.29 1yum s ILE 129 Ca 0.40 0.01 -0.07 0.00 0.00 0.00 0.00 60.65 60.99 1yum s ILE 129 Cb -0.13 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.06 1yum s ILE 129 CO 0.21 0.40 0.06 -0.69 0.00 0.00 0.00 174.94 174.92 1yum s VAL 130 N 0.78 4.45 -0.20 2.92 1.01 0.64 -1.96 120.40 128.05 1yum s VAL 130 Ca 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1yum s VAL 130 Cb -0.13 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1yum s VAL 130 CO 0.02 0.40 0.04 -0.69 0.00 0.00 0.00 175.10 174.87 1yum s VAL 131 N 1.03 4.43 -0.51 2.92 1.01 -0.55 -0.44 120.40 128.30 1yum s VAL 131 Ca 0.04 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.60 1yum s VAL 131 Cb -0.14 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.26 1yum s VAL 131 CO 0.03 0.43 1.01 -0.22 0.00 0.00 0.00 175.10 176.36 1yum s LEU 132 N 0.73 3.86 0.02 3.92 1.98 0.05 -0.55 118.68 128.69 1yum s LEU 132 Ca 0.02 0.07 -0.01 0.00 -2.89 0.00 0.00 54.13 51.32 1yum s LEU 132 Cb -0.14 -3.17 -0.04 0.00 0.66 0.00 0.00 46.19 43.50 1yum s LEU 132 CO 0.02 -1.21 0.17 -1.10 -1.89 0.00 0.00 176.35 172.34 1yum s GLN 133 N 4.14 3.34 0.23 1.98 -1.52 0.21 -2.62 119.66 125.41 1yum s GLN 133 Ca 0.39 -0.41 -0.17 0.00 -1.95 0.00 0.00 55.36 53.22 1yum s GLN 133 Cb -0.10 -3.02 0.02 0.00 -0.22 0.00 0.00 33.01 29.70 1yum s GLN 133 CO 0.26 0.65 0.56 -0.98 -0.25 0.00 0.00 175.29 175.52 1yum s ARG 134 N -2.09 1.52 0.34 2.91 1.70 -1.26 -1.06 118.95 121.01 1yum s ARG 134 Ca 0.29 -0.98 -0.28 0.00 -0.47 0.00 0.00 55.73 54.28 1yum s ARG 134 Cb -0.13 0.53 -0.10 0.00 -0.57 0.00 0.00 34.95 34.69 1yum s ARG 134 CO 0.21 -0.66 1.26 -2.14 -1.08 0.00 0.00 175.30 172.89 1yum s PRO 135 N -3.92 4.32 -0.64 3.89 0.02 -1.26 -3.46 135.00 133.96 1yum s PRO 135 Ca 0.13 2.12 -0.01 0.00 0.02 0.00 0.00 61.00 63.25 1yum s PRO 135 Cb -0.02 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.49 1yum s PRO 135 CO 0.02 -0.18 0.54 -0.25 -0.33 0.00 0.00 177.00 176.80 1yum n ASP 136 N 0.70 -2.58 -2.85 2.53 9.92 -1.26 -5.00 116.55 118.01 1yum n ASP 136 Ca 0.01 -0.31 -0.04 0.00 -0.53 0.00 0.00 54.79 53.91 1yum n ASP 136 Cb 0.43 -2.87 0.00 0.00 -0.64 0.00 0.00 41.12 38.04 1yum n ASP 136 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yum s ALA 137 N -3.18 -2.00 0.00 2.24 0.00 -1.22 -5.12 121.76 112.49 1yum s ALA 137 Ca 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1yum s ALA 137 Cb -0.03 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1yum s ALA 137 CO 0.37 -2.23 0.00 -0.40 0.00 0.00 0.00 175.76 173.51 1yum n ASP 138 N 3.15 0.00 0.00 0.00 5.75 -1.26 -4.55 116.55 119.63 1yum n ASP 138 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 1yum n ASP 138 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 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 0.00 0.00 -3.51 -1.12 2.88 -1.26 -4.93 113.62 105.67 1yum n SER 139 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1yum n SER 139 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1yum n SER 139 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1yum s GLU 140 N 0.00 0.82 0.58 -1.46 2.02 -1.26 -5.14 118.70 114.26 1yum s GLU 140 Ca 0.00 -1.67 -0.16 0.00 0.02 0.00 0.00 54.97 53.16 1yum s GLU 140 Cb 0.00 -1.59 -0.04 0.00 0.10 0.00 0.00 34.13 32.59 1yum s GLU 140 CO 0.00 -1.24 1.04 -1.25 0.02 0.00 0.00 175.26 173.84 1yum s PRO 141 N 0.67 3.43 0.42 0.39 0.04 -1.26 -4.98 135.00 133.70 1yum s PRO 141 Ca 0.21 1.15 -0.24 0.00 0.04 0.00 0.00 61.00 62.16 1yum s PRO 141 Cb -0.18 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.20 1yum s PRO 141 CO -0.04 -0.72 0.83 -0.35 0.04 0.00 0.00 177.00 176.77 1yum n PRO 142 N -1.98 1.01 -0.31 0.56 -0.04 -1.26 -4.86 135.00 128.12 1yum n PRO 142 Ca 0.08 0.36 0.31 0.00 -0.04 0.00 0.00 63.50 64.22 1yum n PRO 142 Cb 0.53 -1.82 0.68 0.00 -0.04 0.00 0.00 33.50 32.85 1yum n PRO 142 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1yum h GLU 143 N 1.22 0.10 0.00 0.54 4.57 -2.00 -1.02 114.58 118.00 1yum h GLU 143 Ca -0.42 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1yum h GLU 143 Cb 1.36 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1yum h GLU 143 CO 0.55 0.07 0.00 -1.13 -1.18 0.00 0.00 179.01 177.32 1yum n SER 144 N -4.32 0.32 -0.60 1.04 3.41 -1.26 -1.74 113.62 110.47 1yum n SER 144 Ca 0.25 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.52 1yum n SER 144 Cb 1.12 -0.64 0.05 0.00 -0.26 0.00 0.00 64.21 64.47 1yum n SER 144 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1yum n LEU 145 N -1.85 2.23 -0.22 1.04 4.77 -0.39 -4.68 117.00 117.91 1yum n LEU 145 Ca 0.03 -0.95 -0.07 0.00 -0.03 0.00 0.00 56.01 54.99 1yum n LEU 145 Cb 0.21 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1yum n LEU 145 CO 0.17 0.40 1.04 -0.09 -1.33 0.00 0.00 177.39 177.58 1yum h ARG 146 N 2.97 0.87 -0.21 3.23 2.43 -1.37 -1.81 114.38 120.49 1yum h ARG 146 Ca 0.00 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 1yum h ARG 146 Cb 0.67 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1yum h ARG 146 CO 0.00 0.69 -0.22 0.22 -1.51 0.00 0.00 179.97 179.15 1yum h ASP 147 N 0.83 0.37 0.05 -3.80 3.58 -1.83 -1.98 116.42 113.64 1yum h ASP 147 Ca 0.21 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 1yum h ASP 147 Cb 0.10 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1yum h ASP 147 CO -0.03 0.60 -0.03 0.25 -2.88 0.00 0.00 179.24 177.15 1yum h LEU 148 N 0.34 -0.06 -1.11 2.28 5.85 -1.67 0.23 115.31 121.17 1yum h LEU 148 Ca 0.06 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1yum h LEU 148 Cb 0.58 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1yum h LEU 148 CO 0.04 0.07 0.52 -0.07 -0.34 0.00 0.00 178.44 178.66 1yum h LEU 149 N -0.19 0.99 -0.19 2.25 3.38 -1.35 0.32 115.31 120.52 1yum h LEU 149 Ca -0.01 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1yum h LEU 149 Cb 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1yum h LEU 149 CO 0.01 0.75 0.02 0.00 0.09 0.00 0.00 178.44 179.31 1yum h ALA 150 N 1.43 0.18 -0.03 1.53 0.00 -0.95 0.31 119.26 121.73 1yum h ALA 150 Ca 0.30 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 1yum h ALA 150 Cb -0.08 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1yum h ALA 150 CO -0.06 -0.41 -0.65 0.00 0.00 0.00 0.00 179.25 178.12 1yum h ALA 151 N 1.15 0.86 0.00 0.00 0.00 0.67 -3.40 119.26 118.54 1yum h ALA 151 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1yum h ALA 151 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yum h ALA 151 CO -0.13 0.79 -0.05 0.54 0.00 0.00 0.00 179.25 180.39 1yum n ARG 152 N -3.80 5.17 -2.39 0.00 5.12 0.10 -5.06 116.66 115.80 1yum n ARG 152 Ca -0.02 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.53 1yum n ARG 152 Cb 0.65 -0.42 -0.02 0.00 -1.16 0.00 0.00 32.46 31.50 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 -0.83 6.48 -0.07 0.55 1.04 0.10 -1.78 113.70 119.19 1yum s SER 153 Ca 0.00 2.20 0.03 0.00 0.48 0.00 0.00 55.95 58.65 1yum s SER 153 Cb 0.00 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.53 1yum s SER 153 CO 0.00 -0.70 -0.14 0.68 0.98 0.00 0.00 173.24 174.06 1yum s VAL 154 N -1.57 1.27 0.06 5.02 -7.23 0.10 -4.87 120.40 113.18 1yum s VAL 154 Ca 0.60 -0.57 -0.23 0.00 -1.81 0.00 0.00 61.98 59.97 1yum s VAL 154 Cb -0.26 -1.14 -0.15 0.00 0.56 0.00 0.00 36.38 35.39 1yum s VAL 154 CO 0.32 0.38 1.57 0.00 -0.31 0.00 0.00 175.10 177.06 1yum h ALA 155 N 6.85 0.07 -1.61 1.32 0.00 -1.96 -3.40 119.26 120.53 1yum h ALA 155 Ca -0.30 -0.10 -0.62 0.00 0.00 0.00 0.00 54.91 53.89 1yum h ALA 155 Cb 1.19 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 1yum h ALA 155 CO 0.47 -0.33 0.65 0.34 0.00 0.00 0.00 179.25 180.39 1yum s ASP 156 N -5.45 6.20 0.63 0.00 2.15 -1.26 -4.66 116.67 114.28 1yum s ASP 156 Ca -0.14 -0.96 0.23 0.00 0.43 0.00 0.00 52.55 52.11 1yum s ASP 156 Cb 0.05 -2.44 1.27 0.00 -0.30 0.00 0.00 42.92 41.49 1yum s ASP 156 CO 0.68 -1.49 1.70 -0.65 -0.17 0.00 0.00 175.17 175.24 1yum h PRO 157 N 9.61 0.00 -0.05 4.34 0.11 -1.86 0.87 132.00 145.02 1yum h PRO 157 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1yum h PRO 157 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1yum h PRO 157 CO 1.20 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 180.03 1yum n GLN 158 N -2.74 1.36 0.01 1.05 1.13 -1.26 -3.61 117.38 113.32 1yum n GLN 158 Ca -0.02 -0.53 0.11 0.00 -1.94 0.00 0.00 57.00 54.62 1yum n GLN 158 Cb 0.48 -1.41 -0.02 0.00 0.11 0.00 0.00 30.24 29.40 1yum n GLN 158 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1yum n ALA 159 N -0.30 3.68 -1.69 -1.58 0.00 0.30 -4.91 120.51 116.01 1yum n ALA 159 Ca 0.18 -0.46 -0.55 0.00 0.00 0.00 0.00 53.44 52.61 1yum n ALA 159 Cb 0.22 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 1yum n ALA 159 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1yum n LEU 160 N -1.86 2.47 -4.38 0.00 4.77 -1.24 -4.95 117.00 111.81 1yum n LEU 160 Ca 0.02 1.07 -0.29 0.00 -0.03 0.00 0.00 56.01 56.77 1yum n LEU 160 Cb 0.42 -1.20 -0.13 0.00 -2.33 0.00 0.00 43.42 40.18 1yum n LEU 160 CO 0.41 -0.46 -0.57 -0.75 -1.33 0.00 0.00 177.39 174.69 1yum s LYS 161 N 3.05 1.47 0.77 3.23 2.20 -1.26 -5.07 119.74 124.13 1yum s LYS 161 Ca 0.95 -1.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.25 1yum s LYS 161 Cb -0.98 -1.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1yum s LYS 161 CO 0.59 0.46 0.00 0.41 -0.36 0.00 0.00 175.35 176.45 1yum n GLY 162 N 1.08 -1.81 0.24 5.54 0.00 -1.26 -4.10 105.19 104.87 1yum n GLY 162 Ca -0.18 -1.27 0.15 0.00 0.00 0.00 0.00 46.02 44.72 1yum n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yum h PRO 163 N 0.00 0.00 0.00 1.61 0.13 -1.84 -3.45 132.00 128.45 1yum h PRO 163 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1yum h PRO 163 Cb 0.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.54 1yum h PRO 163 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 1yum n GLY 164 N 0.34 -1.41 0.00 1.56 0.00 -1.26 -1.96 105.19 102.46 1yum n GLY 164 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.14 2.28 3.67 -0.02 0.00 -0.02 -4.74 105.19 106.22 1yum n GLY 165 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.42 2.39 0.00 1.61 -0.21 -1.26 -4.83 119.66 116.95 1yum s GLN 166 Ca 0.00 -1.29 0.06 0.00 0.02 0.00 0.00 55.36 54.15 1yum s GLN 166 Cb 0.00 -2.26 -0.03 0.00 1.00 0.00 0.00 33.01 31.72 1yum s GLN 166 CO 0.00 0.39 -0.18 0.42 -2.12 0.00 0.00 175.29 173.80 1yum s ILE 167 N -2.13 2.74 0.17 1.08 1.01 -0.74 -0.74 121.20 122.60 1yum s ILE 167 Ca 0.30 -1.04 -0.10 0.00 0.00 0.00 0.00 60.65 59.82 1yum s ILE 167 Cb -0.07 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.29 1yum s ILE 167 CO 0.20 0.46 0.32 0.28 0.00 0.00 0.00 174.94 176.20 1yum s THR 168 N -0.81 0.05 0.03 2.92 -1.32 -0.83 0.03 115.64 115.71 1yum s THR 168 Ca 0.13 -1.33 0.08 0.00 -1.21 0.00 0.00 61.69 59.36 1yum s THR 168 Cb -0.10 -1.85 -0.03 0.00 -1.51 0.00 0.00 72.50 69.01 1yum s THR 168 CO 0.03 -0.25 -0.23 -0.36 -2.21 0.00 0.00 174.62 171.59 1yum s PHE 169 N -3.96 2.41 0.13 9.09 0.40 -1.26 -1.48 117.98 123.31 1yum s PHE 169 Ca 0.17 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 56.19 1yum s PHE 169 Cb 0.03 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 1yum s PHE 169 CO 0.01 0.15 -0.12 0.14 0.70 0.00 0.00 175.22 176.09 1yum s VAL 170 N -0.81 1.22 -0.10 -0.44 -7.23 0.28 -4.78 120.40 108.54 1yum s VAL 170 Ca 0.12 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1yum s VAL 170 Cb -0.10 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.17 1yum s VAL 170 CO 0.02 -0.58 -0.13 0.86 -0.31 0.00 0.00 175.10 174.96 1yum s TRP 171 N -2.70 2.78 0.06 2.82 -0.11 -1.26 0.63 118.94 121.17 1yum s TRP 171 Ca 0.12 -0.44 0.02 0.00 1.22 0.00 0.00 56.10 57.02 1yum s TRP 171 Cb -0.01 -1.76 -0.03 0.00 -1.50 0.00 0.00 33.47 30.16 1yum s TRP 171 CO 0.02 -0.04 -0.07 -0.65 -4.62 0.00 0.00 176.95 171.59 1yum s GLN 172 N -0.08 0.63 -0.45 5.86 -0.21 -0.22 -4.95 119.66 120.24 1yum s GLN 172 Ca -0.02 -1.00 0.01 0.00 0.02 0.00 0.00 55.36 54.38 1yum s GLN 172 Cb -0.14 -0.19 0.12 0.00 1.00 0.00 0.00 33.01 33.81 1yum s GLN 172 CO 0.04 0.00 0.20 0.99 -2.12 0.00 0.00 175.29 174.40 1yum s THR 173 N -2.43 2.81 0.57 -0.19 2.01 -1.26 -4.06 115.64 113.09 1yum s THR 173 Ca -0.01 -2.64 -0.15 0.00 0.31 0.00 0.00 61.69 59.20 1yum s THR 173 Cb -0.03 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 1yum s THR 173 CO -0.03 -0.72 1.02 -2.84 -0.69 0.00 0.00 174.62 171.36 1yum s PRO 174 N 0.48 3.66 0.52 4.92 0.02 -1.26 -4.97 135.00 138.37 1yum s PRO 174 Ca 0.13 0.95 -0.20 0.00 0.02 0.00 0.00 61.00 61.90 1yum s PRO 174 Cb -0.22 -2.09 -0.09 0.00 0.02 0.00 0.00 34.50 32.12 1yum s PRO 174 CO -0.04 -0.51 0.66 1.28 -0.33 0.00 0.00 177.00 178.05 1yum n LEU 175 N -2.08 1.27 -4.54 -5.54 4.77 -1.26 -4.85 117.00 104.76 1yum n LEU 175 Ca 0.07 0.83 -0.43 0.00 -0.03 0.00 0.00 56.01 56.45 1yum n LEU 175 Cb 0.54 -1.22 -0.01 0.00 -2.33 0.00 0.00 43.42 40.41 1yum n LEU 175 CO 0.50 -2.63 1.70 0.00 -1.33 0.00 0.00 177.39 175.64 1yum s ALA 176 N -1.57 3.42 -0.14 -1.18 0.00 -1.26 -4.87 121.76 116.16 1yum s ALA 176 Ca 0.68 -2.94 -0.06 0.00 0.00 0.00 0.00 51.96 49.63 1yum s ALA 176 Cb -0.49 -4.46 0.06 0.00 0.00 0.00 0.00 23.12 18.23 1yum s ALA 176 CO 0.54 -3.18 0.31 0.08 0.00 0.00 0.00 175.76 173.51 1yum s VAL 177 N 3.54 -0.16 0.05 0.00 1.01 -1.26 -5.13 120.40 118.45 1yum s VAL 177 Ca 0.49 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.65 1yum s VAL 177 Cb 0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 1yum s VAL 177 CO 0.03 0.07 -0.08 -0.94 0.00 0.00 0.00 175.10 174.17 1yum s SER 178 N 1.63 0.88 0.21 3.32 1.04 -1.26 -4.80 113.70 114.72 1yum s SER 178 Ca -0.07 -0.59 -0.09 0.00 0.48 0.00 0.00 55.95 55.69 1yum s SER 178 Cb -0.10 0.04 0.30 0.00 0.10 0.00 0.00 66.02 66.36 1yum s SER 178 CO -0.10 -0.23 1.74 0.00 0.98 0.00 0.00 173.24 175.64 1yum h ALA 179 N 4.37 0.82 -0.53 5.32 0.00 -1.88 0.87 119.26 128.23 1yum h ALA 179 Ca -0.36 0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.71 1yum h ALA 179 Cb 1.20 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1yum h ALA 179 CO 0.43 -0.19 0.18 1.15 0.00 0.00 0.00 179.25 180.82 1yum h THR 180 N 0.42 0.80 -0.15 0.00 2.02 -1.96 0.46 112.91 114.50 1yum h THR 180 Ca 0.32 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.40 1yum h THR 180 Cb 0.40 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1yum h THR 180 CO -0.32 0.06 0.01 -0.61 0.37 0.00 0.00 175.52 175.04 1yum h GLN 181 N 0.35 0.06 -0.65 6.66 4.15 -1.85 -2.18 115.11 121.64 1yum h GLN 181 Ca 0.26 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.62 1yum h GLN 181 Cb 0.29 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1yum h GLN 181 CO -0.27 0.04 0.18 0.82 -1.93 0.00 0.00 178.83 177.67 1yum h ILE 182 N 0.06 1.25 -0.22 2.39 2.04 0.14 -1.78 117.51 121.38 1yum h ILE 182 Ca 0.07 -0.87 -0.09 0.00 1.00 0.00 0.00 64.86 64.96 1yum h ILE 182 Cb 0.08 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1yum h ILE 182 CO -0.11 0.34 -0.25 0.03 0.00 0.00 0.00 178.15 178.15 1yum h ARG 183 N 0.97 0.41 -0.38 2.37 3.08 0.01 -2.07 114.38 118.78 1yum h ARG 183 Ca 0.21 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1yum h ARG 183 Cb 0.31 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1yum h ARG 183 CO -0.00 0.64 0.05 0.00 -1.07 0.00 0.00 179.97 179.59 1yum h ALA 184 N 1.37 0.50 0.23 0.04 0.00 -0.79 -0.45 119.26 120.16 1yum h ALA 184 Ca 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1yum h ALA 184 Cb 0.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1yum h ALA 184 CO 0.05 0.22 -0.11 -0.07 0.00 0.00 0.00 179.25 179.34 1yum h LEU 185 N 0.47 -0.26 -1.29 0.00 3.38 -1.18 -2.21 115.31 114.22 1yum h LEU 185 Ca 0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1yum h LEU 185 Cb 0.38 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1yum h LEU 185 CO 0.01 -0.14 0.26 -0.07 0.09 0.00 0.00 178.44 178.59 1yum h LEU 186 N -0.37 0.67 -0.56 1.67 3.38 -1.32 -0.57 115.31 118.21 1yum h LEU 186 Ca -0.03 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1yum h LEU 186 Cb 0.28 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1yum h LEU 186 CO 0.05 0.57 0.24 1.23 0.09 0.00 0.00 178.44 180.62 1yum h GLY 187 N 0.85 0.78 0.01 0.83 0.00 -0.80 -1.08 103.07 103.67 1yum h GLY 187 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1yum h GLY 187 CO -0.03 0.04 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1yum n ALA 188 N -2.41 2.45 -1.04 3.60 0.00 -0.35 -3.87 120.51 118.88 1yum n ALA 188 Ca 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 1yum n ALA 188 Cb 0.21 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 0.45 0.36 3.90 0.00 0.00 -0.41 -4.99 105.19 104.50 1yum n GLY 189 Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.24 3.59 0.04 1.61 0.52 -0.43 -4.98 118.95 118.06 1yum s ARG 190 Ca 0.00 0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 55.22 1yum s ARG 190 Cb 0.00 -2.33 -0.05 0.00 0.52 0.00 0.00 34.95 33.09 1yum s ARG 190 CO 0.00 -0.23 1.13 0.45 0.02 0.00 0.00 175.30 176.67 1yum s SER 191 N -3.98 7.17 -0.28 0.23 0.15 -1.26 -4.04 113.70 111.70 1yum s SER 191 Ca 0.49 1.91 0.11 0.00 0.70 0.00 0.00 55.95 59.16 1yum s SER 191 Cb -0.10 -2.58 0.59 0.00 -1.71 0.00 0.00 66.02 62.22 1yum s SER 191 CO 0.44 -0.40 1.58 1.33 1.20 0.00 0.00 173.24 177.39 1yum n VAL 192 N 3.89 2.62 -1.81 4.45 0.24 -1.26 -4.97 118.33 121.49 1yum n VAL 192 Ca 0.08 -2.13 -0.41 0.00 -2.04 0.00 0.00 64.34 59.84 1yum n VAL 192 Cb 0.48 -0.32 -0.00 0.00 -1.47 0.00 0.00 33.84 32.52 1yum n VAL 192 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1yum s ARG 193 N -3.06 4.12 0.00 7.34 3.52 -1.26 -1.86 118.95 127.75 1yum s ARG 193 Ca 0.48 2.56 0.00 0.00 -0.13 0.00 0.00 55.73 58.64 1yum s ARG 193 Cb 0.40 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.81 1yum s ARG 193 CO 0.07 -0.54 0.00 1.19 -0.81 0.00 0.00 175.30 175.21 1yum n PHE 194 N 0.78 0.00 0.11 5.12 0.99 -1.26 -4.79 117.46 118.41 1yum n PHE 194 Ca 0.02 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.57 1yum n PHE 194 Cb 0.39 -0.39 -0.15 0.00 -1.00 0.00 0.00 39.48 38.33 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 0.00 0.12 -4.20 4.37 4.77 -0.77 -4.98 117.00 116.31 1yum n LEU 195 Ca 0.00 -0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.77 1yum n LEU 195 Cb 0.08 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 1yum n LEU 195 CO 0.00 0.03 -0.42 0.68 -1.33 0.00 0.00 177.39 176.35 1yum s VAL 196 N -3.34 1.02 0.65 4.08 -7.23 -1.24 -1.83 120.40 112.50 1yum s VAL 196 Ca -0.06 -1.75 -0.17 0.00 -1.81 0.00 0.00 61.98 58.19 1yum s VAL 196 Cb 0.13 -1.50 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 1yum s VAL 196 CO 0.84 -0.59 0.94 -2.65 -0.31 0.00 0.00 175.10 173.33 1yum n PRO 197 N 0.37 0.74 -0.23 4.82 -0.02 -1.26 -4.68 135.00 134.73 1yum n PRO 197 Ca -0.15 0.30 0.03 0.00 -2.02 0.00 0.00 63.50 61.67 1yum n PRO 197 Cb 0.58 -2.17 0.16 0.00 -0.02 0.00 0.00 33.50 32.05 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 0.20 0.15 -0.33 2.55 3.32 -1.98 -0.33 116.42 120.00 1yum h ASP 198 Ca -0.48 0.11 0.07 0.00 0.02 0.00 0.00 57.03 56.75 1yum h ASP 198 Cb 1.36 0.12 -0.07 0.00 0.22 0.00 0.00 39.33 40.96 1yum h ASP 198 CO 0.49 0.06 -0.11 0.00 -1.72 0.00 0.00 179.24 177.96 1yum h ALA 199 N 1.53 0.17 -0.14 3.45 0.00 -1.90 -0.99 119.26 121.39 1yum h ALA 199 Ca 0.38 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 1yum h ALA 199 Cb 0.57 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1yum h ALA 199 CO -0.41 -0.49 0.00 0.28 0.00 0.00 0.00 179.25 178.63 1yum h VAL 200 N -0.04 1.25 -0.75 0.00 2.07 -1.66 -1.67 116.25 115.44 1yum h VAL 200 Ca 0.16 -0.82 0.15 0.00 0.82 0.00 0.00 66.70 67.02 1yum h VAL 200 Cb 0.29 1.52 -0.14 0.00 -1.52 0.00 0.00 31.29 31.44 1yum h VAL 200 CO -0.36 0.24 -0.18 0.25 0.02 0.00 0.00 177.57 177.54 1yum h LEU 201 N -0.02 -0.69 -0.77 2.57 7.12 -0.88 0.42 115.31 123.06 1yum h LEU 201 Ca 0.04 0.22 -0.12 0.00 0.13 0.00 0.00 57.88 58.16 1yum h LEU 201 Cb 0.36 0.46 -0.02 0.00 -0.53 0.00 0.00 40.66 40.94 1yum h LEU 201 CO 0.01 -0.25 -0.57 0.78 -0.13 0.00 0.00 178.44 178.29 1yum h ASN 202 N 0.00 0.00 0.17 1.25 2.35 -0.86 0.39 115.58 118.88 1yum h ASN 202 Ca 0.36 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.11 1yum h ASN 202 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1yum h ASN 202 CO -0.77 0.57 -0.08 0.22 -1.65 0.00 0.00 177.43 175.71 1yum h TYR 203 N 0.00 -0.21 -0.88 1.19 5.03 -0.53 -0.39 116.97 121.17 1yum h TYR 203 Ca -0.01 -0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.44 1yum h TYR 203 Cb 1.07 0.07 -0.09 0.00 1.55 0.00 0.00 36.73 39.32 1yum h TYR 203 CO 0.00 0.13 0.49 0.82 -1.32 0.00 0.00 178.16 178.28 1yum h ILE 204 N -0.57 0.77 -0.13 1.81 2.04 -0.77 -1.26 117.51 119.41 1yum h ILE 204 Ca -0.02 -0.24 -0.23 0.00 1.00 0.00 0.00 64.86 65.37 1yum h ILE 204 Cb 0.43 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1yum h ILE 204 CO 0.04 0.13 -0.80 -0.33 0.00 0.00 0.00 178.15 177.18 1yum h GLU 205 N 0.70 0.77 0.00 2.37 5.08 -0.79 -0.45 114.58 122.26 1yum h GLU 205 Ca 0.48 -0.66 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1yum h GLU 205 Cb 0.64 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1yum h GLU 205 CO -0.34 1.26 -0.31 0.00 -1.00 0.00 0.00 179.01 178.62 1yum h ALA 206 N 0.52 1.06 -0.19 3.43 0.00 -0.78 -3.09 119.26 120.22 1yum h ALA 206 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1yum h ALA 206 Cb 1.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1yum h ALA 206 CO 0.16 0.38 0.00 0.72 0.00 0.00 0.00 179.25 180.52 1yum n HIS 207 N -3.55 0.23 -3.85 0.00 8.25 -0.50 -4.97 115.22 110.83 1yum n HIS 207 Ca -0.00 -0.21 -0.25 0.00 -0.26 0.00 0.00 57.72 57.00 1yum n HIS 207 Cb 0.45 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.56 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 0.76 -1.87 -2.25 4.41 -0.00 -0.64 -4.95 115.22 110.69 1yum n HIS 208 Ca 0.11 0.82 -0.34 0.00 -0.00 0.00 0.00 57.72 58.30 1yum n HIS 208 Cb 0.39 -4.01 -0.00 0.00 -0.00 0.00 0.00 29.99 26.37 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 -6.91 3.67 -2.01 2.41 1.43 -0.27 -3.53 118.68 113.47 1yum s LEU 209 Ca 0.15 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 1yum s LEU 209 Cb -0.08 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.59 1yum s LEU 209 CO 0.85 -1.08 0.00 -1.22 0.23 0.00 0.00 176.35 175.13 1yum n TYR 210 N -1.50 -0.24 -1.07 0.29 4.02 -1.26 -4.94 117.16 112.45 1yum n TYR 210 Ca 0.10 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.68 1yum n TYR 210 Cb 0.52 -3.48 0.13 0.00 -0.02 0.00 0.00 39.34 36.49 1yum n TYR 210 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1yum s ARG 211 N -4.03 1.54 0.15 -0.72 0.52 -1.23 -2.98 118.95 112.21 1yum s ARG 211 Ca 0.00 1.16 -0.30 0.00 -0.52 0.00 0.00 55.73 56.06 1yum s ARG 211 Cb 0.00 -1.82 -0.08 0.00 0.52 0.00 0.00 34.95 33.58 1yum s ARG 211 CO 0.00 -2.14 1.25 0.00 0.02 0.00 0.00 175.30 174.43 1yum s ALA 212 N -2.83 3.47 -2.00 2.13 0.00 -1.25 -4.82 121.76 116.46 1yum s ALA 212 Ca 0.63 0.99 0.19 0.00 0.00 0.00 0.00 51.96 53.77 1yum s ALA 212 Cb -0.19 -3.45 1.14 0.00 0.00 0.00 0.00 23.12 20.61 1yum s ALA 212 CO 0.57 -0.46 1.53 -0.35 0.00 0.00 0.00 175.76 177.05