#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ybm h ALA 2 N 0.00 1.38 0.00 7.33 0.00 -2.02 -2.81 119.26 123.14 1ybm h ALA 2 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ybm h ALA 2 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1ybm h ALA 2 CO 0.00 0.35 -1.28 0.09 0.00 0.00 0.00 179.25 178.42 1ybm n ASN 3 N -4.56 0.64 -3.64 0.00 5.03 -1.26 -4.55 115.26 106.92 1ybm n ASN 3 Ca 0.16 -0.57 -0.28 0.00 0.87 0.00 0.00 54.58 54.75 1ybm n ASN 3 Cb 0.23 1.23 -0.12 0.00 -1.02 0.00 0.00 39.78 40.10 1ybm n ASN 3 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1ybm s LEU 4 N -3.58 2.71 0.20 3.41 2.96 -1.08 -4.99 118.68 118.30 1ybm s LEU 4 Ca 0.03 -3.04 -0.31 0.00 -0.22 0.00 0.00 54.13 50.59 1ybm s LEU 4 Cb 0.15 -0.95 -0.11 0.00 0.50 0.00 0.00 46.19 45.78 1ybm s LEU 4 CO 0.87 -0.19 1.59 -2.84 -1.32 0.00 0.00 176.35 174.45 1ybm s PRO 5 N -0.14 4.19 -0.31 0.98 0.02 -1.08 -1.74 135.00 136.91 1ybm s PRO 5 Ca 0.24 2.44 -0.26 0.00 0.02 0.00 0.00 61.00 63.44 1ybm s PRO 5 Cb -0.11 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 31.31 1ybm s PRO 5 CO -0.10 -0.62 0.90 0.99 -0.33 0.00 0.00 177.00 177.85 1ybm s THR 6 N 0.84 4.68 -0.26 0.99 2.01 -1.26 -0.24 115.64 122.39 1ybm s THR 6 Ca 0.69 1.39 -0.05 0.00 0.31 0.00 0.00 61.69 64.03 1ybm s THR 6 Cb -0.45 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 67.80 1ybm s THR 6 CO 0.35 -0.35 0.02 -0.69 -0.69 0.00 0.00 174.62 173.26 1ybm s VAL 7 N 3.24 3.68 -0.17 3.82 1.01 0.12 0.09 120.40 132.20 1ybm s VAL 7 Ca 0.38 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 61.50 1ybm s VAL 7 Cb -0.13 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1ybm s VAL 7 CO 0.14 0.22 0.72 -0.22 0.00 0.00 0.00 175.10 175.96 1ybm s LEU 8 N 1.48 4.18 -0.23 3.92 2.96 -0.57 -1.61 118.68 128.82 1ybm s LEU 8 Ca 0.04 1.03 -0.07 0.00 -0.22 0.00 0.00 54.13 54.90 1ybm s LEU 8 Cb -0.16 -3.06 -0.03 0.00 0.50 0.00 0.00 46.19 43.43 1ybm s LEU 8 CO -0.00 -0.30 0.07 0.54 -1.32 0.00 0.00 176.35 175.34 1ybm s VAL 9 N 1.83 4.49 0.22 1.68 0.11 0.12 -0.65 120.40 128.19 1ybm s VAL 9 Ca 0.34 -0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.28 1ybm s VAL 9 Cb -0.16 -3.07 -0.04 0.00 -1.53 0.00 0.00 36.38 31.58 1ybm s VAL 9 CO 0.12 0.38 0.38 0.42 -3.33 0.00 0.00 175.10 173.07 1ybm s THR 10 N 1.19 5.23 -1.31 5.04 -4.23 -0.54 -0.30 115.64 120.72 1ybm s THR 10 Ca 0.05 -0.60 -0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1ybm s THR 10 Cb -0.14 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.92 1ybm s THR 10 CO 0.03 -0.25 0.41 0.61 -0.54 0.00 0.00 174.62 174.89 1ybm n GLY 11 N -0.97 -0.31 0.21 3.99 0.00 -0.88 -1.95 105.19 105.27 1ybm n GLY 11 Ca -0.06 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.05 1ybm n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ybm h ALA 12 N 0.82 1.00 -0.02 4.61 0.00 -1.57 0.19 119.26 124.29 1ybm h ALA 12 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ybm h ALA 12 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ybm h ALA 12 CO 0.47 0.00 -0.11 -1.13 0.00 0.00 0.00 179.25 178.47 1ybm n SER 13 N -2.68 1.63 -4.52 0.00 3.41 -1.26 -2.25 113.62 107.95 1ybm n SER 13 Ca 0.01 -1.40 -0.29 0.00 -0.26 0.00 0.00 58.87 56.94 1ybm n SER 13 Cb 0.27 0.08 0.20 0.00 -0.26 0.00 0.00 64.21 64.50 1ybm n SER 13 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ybm s GLY 14 N -2.19 1.55 -0.03 5.00 0.00 0.66 -4.77 107.32 107.55 1ybm s GLY 14 Ca 0.31 -0.43 -0.25 0.00 0.00 0.00 0.00 44.72 44.35 1ybm s GLY 14 CO 0.40 0.25 1.20 3.21 0.00 0.00 0.00 173.10 178.16 1ybm h ARG 15 N -2.16 -0.08 -0.11 2.90 3.08 -1.92 -1.00 114.38 115.09 1ybm h ARG 15 Ca -0.55 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.40 1ybm h ARG 15 Cb 1.33 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1ybm h ARG 15 CO 0.54 0.39 -0.34 1.15 -1.07 0.00 0.00 179.97 180.64 1ybm h THR 16 N -0.58 1.39 -0.91 2.04 2.02 -1.90 -3.34 112.91 111.63 1ybm h THR 16 Ca -0.01 -1.67 0.20 0.00 0.77 0.00 0.00 66.41 65.71 1ybm h THR 16 Cb 0.51 2.17 -0.12 0.00 -1.74 0.00 0.00 68.15 68.97 1ybm h THR 16 CO 0.01 0.49 0.45 1.23 0.37 0.00 0.00 175.52 178.07 1ybm h GLY 17 N -0.02 1.57 1.85 2.16 0.00 -1.68 -1.81 103.07 105.14 1ybm h GLY 17 Ca -0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 1ybm h GLY 17 CO 0.07 -0.19 -0.51 0.06 0.00 0.00 0.00 176.54 175.97 1ybm h GLN 18 N 0.51 0.16 -0.26 4.80 3.07 -0.72 0.06 115.11 122.73 1ybm h GLN 18 Ca 0.55 -0.09 -0.03 0.00 0.09 0.00 0.00 58.65 59.17 1ybm h GLN 18 Cb 0.97 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.53 1ybm h GLN 18 CO -0.47 0.64 0.06 0.82 0.09 0.00 0.00 178.83 179.97 1ybm h ILE 19 N 0.13 1.21 -0.37 1.86 2.04 -1.48 -0.90 117.51 120.01 1ybm h ILE 19 Ca 0.00 -0.71 0.07 0.00 1.00 0.00 0.00 64.86 65.22 1ybm h ILE 19 Cb 0.95 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 1ybm h ILE 19 CO 0.07 0.23 -0.01 0.58 0.00 0.00 0.00 178.15 179.02 1ybm h VAL 20 N 0.24 0.71 -0.28 1.67 2.07 -1.14 -0.64 116.25 118.88 1ybm h VAL 20 Ca 0.08 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1ybm h VAL 20 Cb 0.29 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1ybm h VAL 20 CO 0.00 0.02 0.08 0.22 0.02 0.00 0.00 177.57 177.91 1ybm h TYR 21 N 0.09 0.14 -0.46 1.57 3.20 -0.90 -1.56 116.97 119.05 1ybm h TYR 21 Ca 0.18 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 1ybm h TYR 21 Cb 0.26 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1ybm h TYR 21 CO -0.26 0.06 -0.02 0.87 -1.64 0.00 0.00 178.16 177.16 1ybm h LYS 22 N 0.20 0.83 -0.26 1.82 1.57 -0.94 -2.14 116.57 117.64 1ybm h LYS 22 Ca 0.13 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1ybm h LYS 22 Cb 0.11 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1ybm h LYS 22 CO -0.15 0.89 0.09 0.87 -0.57 0.00 0.00 179.45 180.58 1ybm h LYS 23 N 0.68 0.37 -0.08 3.15 1.57 -0.94 1.19 116.57 122.50 1ybm h LYS 23 Ca 0.13 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 1ybm h LYS 23 Cb 0.53 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1ybm h LYS 23 CO 0.03 0.33 -0.50 -0.07 -0.57 0.00 0.00 179.45 178.66 1ybm h LEU 24 N 0.37 0.23 0.01 2.94 3.38 -1.11 -1.96 115.31 119.17 1ybm h LEU 24 Ca 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1ybm h LEU 24 Cb 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ybm h LEU 24 CO -0.01 0.69 -0.08 0.11 0.09 0.00 0.00 178.44 179.25 1ybm h LYS 25 N 0.17 0.03 -0.22 1.13 1.79 -0.49 -2.21 116.57 116.77 1ybm h LYS 25 Ca 0.01 -0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.48 1ybm h LYS 25 Cb 0.95 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.54 1ybm h LYS 25 CO 0.08 0.99 -0.41 0.93 -1.08 0.00 0.00 179.45 179.95 1ybm h GLU 26 N -0.90 -0.41 -1.99 3.15 5.08 0.13 -0.44 114.58 119.20 1ybm h GLU 26 Ca -0.01 0.03 -0.48 0.00 -1.00 0.00 0.00 59.36 57.89 1ybm h GLU 26 Cb 1.02 0.09 -0.17 0.00 0.50 0.00 0.00 28.75 30.19 1ybm h GLU 26 CO 0.01 -0.27 0.36 0.41 -1.00 0.00 0.00 179.01 178.52 1ybm n GLY 27 N -1.43 4.28 1.16 -3.84 0.00 -0.74 -4.66 105.19 99.97 1ybm n GLY 27 Ca -0.03 -1.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.12 1ybm n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ybm n SER 28 N 0.94 3.21 -0.10 1.61 3.41 -0.18 -2.99 113.62 119.52 1ybm n SER 28 Ca 0.48 -2.20 -0.18 0.00 -0.26 0.00 0.00 58.87 56.71 1ybm n SER 28 Cb 0.57 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1ybm n SER 28 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ybm n ASP 29 N 0.37 1.88 0.18 4.04 5.75 -1.26 -4.52 116.55 122.98 1ybm n ASP 29 Ca 0.07 0.44 0.13 0.00 -0.01 0.00 0.00 54.79 55.42 1ybm n ASP 29 Cb 0.62 -0.89 0.28 0.00 -1.03 0.00 0.00 41.12 40.11 1ybm n ASP 29 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1ybm h LYS 30 N -1.00 0.00 -4.74 0.11 1.57 -1.90 -3.46 116.57 107.15 1ybm h LYS 30 Ca -0.31 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.17 1ybm h LYS 30 Cb 1.16 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.27 1ybm h LYS 30 CO -0.19 0.00 -0.74 -0.06 -0.57 0.00 0.00 179.45 177.89 1ybm s PHE 31 N -3.19 0.82 -0.27 -1.35 0.08 -1.22 -4.09 117.98 108.77 1ybm s PHE 31 Ca 0.08 -0.56 -0.14 0.00 0.12 0.00 0.00 56.93 56.43 1ybm s PHE 31 Cb 0.08 -0.48 -0.04 0.00 -0.57 0.00 0.00 43.02 42.01 1ybm s PHE 31 CO 0.63 -0.06 0.32 0.08 -0.10 0.00 0.00 175.22 176.09 1ybm s VAL 32 N -1.76 5.22 0.31 -0.44 1.01 0.66 -4.30 120.40 121.10 1ybm s VAL 32 Ca -0.04 0.45 -0.28 0.00 0.00 0.00 0.00 61.98 62.11 1ybm s VAL 32 Cb -0.07 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 1ybm s VAL 32 CO 0.00 0.19 1.05 0.00 0.00 0.00 0.00 175.10 176.34 1ybm s ALA 33 N 1.96 3.28 -0.11 5.51 0.00 -1.26 0.14 121.76 131.28 1ybm s ALA 33 Ca 0.13 0.77 -0.08 0.00 0.00 0.00 0.00 51.96 52.78 1ybm s ALA 33 Cb -0.16 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.71 1ybm s ALA 33 CO 0.10 -0.10 0.28 0.21 0.00 0.00 0.00 175.76 176.25 1ybm s LYS 34 N -1.78 0.29 0.06 0.00 2.20 -0.63 -4.85 119.74 115.03 1ybm s LYS 34 Ca 0.48 0.46 0.09 0.00 -0.36 0.00 0.00 55.97 56.65 1ybm s LYS 34 Cb -0.27 0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.07 1ybm s LYS 34 CO 0.34 -0.09 -0.26 0.20 -0.36 0.00 0.00 175.35 175.18 1ybm s GLY 35 N 0.60 1.43 -0.13 5.54 0.00 -0.12 0.11 107.32 114.75 1ybm s GLY 35 Ca -0.04 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.40 1ybm s GLY 35 CO -0.03 -1.19 -0.16 -2.27 0.00 0.00 0.00 173.10 169.45 1ybm s LEU 36 N -1.34 2.54 0.21 0.66 2.96 0.59 -0.17 118.68 124.12 1ybm s LEU 36 Ca 0.12 -0.40 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 1ybm s LEU 36 Cb -0.10 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 1ybm s LEU 36 CO 0.03 0.16 -0.12 0.68 -1.32 0.00 0.00 176.35 175.77 1ybm s VAL 37 N 0.40 1.63 -0.13 1.68 -7.23 0.50 -2.06 120.40 115.19 1ybm s VAL 37 Ca -0.12 -2.18 0.15 0.00 -1.81 0.00 0.00 61.98 58.02 1ybm s VAL 37 Cb -0.16 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 1ybm s VAL 37 CO 0.06 -0.57 1.21 -0.09 -0.31 0.00 0.00 175.10 175.39 1ybm h ARG 38 N 2.55 0.00 -4.34 4.82 2.43 -1.85 -0.54 114.38 117.44 1ybm h ARG 38 Ca -0.38 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.61 1ybm h ARG 38 Cb 1.22 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.63 1ybm h ARG 38 CO 0.63 0.44 -0.56 -1.54 -1.51 0.00 0.00 179.97 177.43 1ybm s SER 39 N -6.21 0.21 0.24 -3.80 1.04 -1.26 -4.41 113.70 99.51 1ybm s SER 39 Ca 0.01 -1.19 0.01 0.00 0.48 0.00 0.00 55.95 55.26 1ybm s SER 39 Cb 0.08 0.35 0.28 0.00 0.10 0.00 0.00 66.02 66.83 1ybm s SER 39 CO 0.77 -0.80 1.62 0.00 0.98 0.00 0.00 173.24 175.81 1ybm h ALA 40 N 2.72 0.92 -0.85 5.32 0.00 -1.99 -2.29 119.26 123.08 1ybm h ALA 40 Ca -0.34 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.20 1ybm h ALA 40 Cb 1.22 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1ybm h ALA 40 CO 0.55 0.63 0.53 0.37 0.00 0.00 0.00 179.25 181.32 1ybm h GLN 41 N 0.40 0.93 -0.54 0.00 4.15 -2.00 -1.85 115.11 116.21 1ybm h GLN 41 Ca 0.04 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 1ybm h GLN 41 Cb 0.87 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.33 1ybm h GLN 41 CO 0.07 0.62 -0.06 0.78 -1.93 0.00 0.00 178.83 178.30 1ybm h GLY 42 N 0.96 1.08 1.34 2.39 0.00 -1.88 -1.75 103.07 105.21 1ybm h GLY 42 Ca 0.37 -0.85 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1ybm h GLY 42 CO -0.18 0.77 0.03 1.70 0.00 0.00 0.00 176.54 178.87 1ybm h LYS 43 N 0.88 0.81 -0.01 4.80 3.64 -1.09 -2.98 116.57 122.62 1ybm h LYS 43 Ca 0.15 -0.21 -0.23 0.00 -1.27 0.00 0.00 60.65 59.09 1ybm h LYS 43 Cb 0.62 -0.10 0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1ybm h LYS 43 CO 0.04 0.80 -0.89 0.93 -2.27 0.00 0.00 179.45 178.06 1ybm h GLU 44 N 0.76 0.61 -1.28 1.90 4.39 -1.24 0.36 114.58 120.09 1ybm h GLU 44 Ca 0.15 -0.65 0.39 0.00 0.34 0.00 0.00 59.36 59.59 1ybm h GLU 44 Cb 0.42 0.18 -0.10 0.00 -0.10 0.00 0.00 28.75 29.15 1ybm h GLU 44 CO 0.01 1.25 0.85 -0.22 -1.16 0.00 0.00 179.01 179.75 1ybm h LYS 45 N 0.24 0.15 -0.63 2.33 3.64 -1.17 -0.40 116.57 120.72 1ybm h LYS 45 Ca -0.11 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1ybm h LYS 45 Cb 1.56 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1ybm h LYS 45 CO 0.18 0.10 0.00 0.44 -2.27 0.00 0.00 179.45 177.89 1ybm n ILE 46 N -4.54 1.61 0.00 2.00 -5.35 -1.15 -4.90 119.36 107.03 1ybm n ILE 46 Ca 0.33 -1.17 0.00 0.00 -0.27 0.00 0.00 62.75 61.64 1ybm n ILE 46 Cb 1.31 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 1ybm n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ybm n GLY 47 N 1.14 1.92 2.69 3.28 0.00 -0.16 -4.71 105.19 109.34 1ybm n GLY 47 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1ybm n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ybm n GLY 48 N -0.47 0.22 3.60 -0.02 0.00 0.13 -4.94 105.19 103.70 1ybm n GLY 48 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1ybm n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ybm s GLU 49 N -1.13 -0.08 0.45 1.61 2.02 -1.26 -4.91 118.70 115.40 1ybm s GLU 49 Ca 0.00 0.71 0.25 0.00 0.02 0.00 0.00 54.97 55.95 1ybm s GLU 49 Cb 0.00 -1.66 0.92 0.00 0.10 0.00 0.00 34.13 33.49 1ybm s GLU 49 CO 0.00 -3.13 1.82 0.00 0.02 0.00 0.00 175.26 173.97 1ybm h ALA 50 N -2.19 1.00 -0.07 5.21 0.00 -1.99 -2.67 119.26 118.55 1ybm h ALA 50 Ca -0.57 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1ybm h ALA 50 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ybm h ALA 50 CO 0.54 0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.62 1ybm n ASP 51 N -3.31 0.72 -4.65 0.00 5.68 -1.26 -4.78 116.55 108.95 1ybm n ASP 51 Ca 0.01 -1.55 -0.36 0.00 -0.50 0.00 0.00 54.79 52.39 1ybm n ASP 51 Cb 0.43 -0.05 -0.10 0.00 -1.14 0.00 0.00 41.12 40.27 1ybm n ASP 51 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ybm s VAL 52 N -1.91 5.17 0.08 2.12 1.01 -1.01 -0.94 120.40 124.92 1ybm s VAL 52 Ca 0.29 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.44 1ybm s VAL 52 Cb 0.15 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1ybm s VAL 52 CO 0.23 0.38 -0.03 -0.36 0.00 0.00 0.00 175.10 175.32 1ybm s PHE 53 N 0.90 2.93 -0.15 5.22 0.40 0.76 -4.95 117.98 123.10 1ybm s PHE 53 Ca 0.07 -0.05 -0.04 0.00 -0.60 0.00 0.00 56.93 56.31 1ybm s PHE 53 Cb -0.13 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.84 1ybm s PHE 53 CO 0.03 0.46 -0.03 0.42 0.70 0.00 0.00 175.22 176.80 1ybm s ILE 54 N -1.25 4.00 0.07 0.64 1.01 -1.26 -0.37 121.20 124.04 1ybm s ILE 54 Ca 0.24 -0.32 -0.27 0.00 0.00 0.00 0.00 60.65 60.30 1ybm s ILE 54 Cb -0.11 -2.75 0.08 0.00 0.01 0.00 0.00 42.46 39.69 1ybm s ILE 54 CO 0.16 0.50 0.88 -0.83 0.00 0.00 0.00 174.94 175.65 1ybm s GLY 55 N 0.22 -0.40 -0.25 6.18 0.00 -0.21 -4.88 107.32 107.98 1ybm s GLY 55 Ca -0.02 0.65 -0.03 0.00 0.00 0.00 0.00 44.72 45.32 1ybm s GLY 55 CO 0.03 0.20 -0.02 -0.35 0.00 0.00 0.00 173.10 172.95 1ybm s ASP 56 N -2.66 4.49 0.60 1.64 -1.08 -1.26 -3.90 116.67 114.50 1ybm s ASP 56 Ca 0.07 -0.72 0.40 0.00 -0.52 0.00 0.00 52.55 51.78 1ybm s ASP 56 Cb -0.01 -1.73 2.12 0.00 -1.46 0.00 0.00 42.92 41.84 1ybm s ASP 56 CO -0.05 -0.12 2.23 0.16 0.52 0.00 0.00 175.17 177.91 1ybm h ILE 57 N 5.97 0.00 0.00 4.11 3.07 -1.96 0.14 117.51 128.84 1ybm h ILE 57 Ca -0.35 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 65.99 1ybm h ILE 57 Cb 1.12 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 1ybm h ILE 57 CO 0.59 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 178.04 1ybm n THR 58 N -2.97 0.15 -3.99 0.16 -2.24 -1.26 -4.44 114.28 99.70 1ybm n THR 58 Ca -0.02 0.04 -0.31 0.00 -2.27 0.00 0.00 64.05 61.49 1ybm n THR 58 Cb 0.10 -0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 67.59 1ybm n THR 58 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ybm s ASP 59 N -2.72 4.58 0.38 3.42 -1.08 0.49 -5.01 116.67 116.73 1ybm s ASP 59 Ca 0.21 -2.44 0.08 0.00 -0.52 0.00 0.00 52.55 49.88 1ybm s ASP 59 Cb 0.18 -1.61 0.82 0.00 -1.46 0.00 0.00 42.92 40.85 1ybm s ASP 59 CO 0.44 -0.33 1.95 0.00 0.52 0.00 0.00 175.17 177.74 1ybm h ALA 60 N 7.24 1.80 -0.09 3.66 0.00 -1.78 -1.75 119.26 128.33 1ybm h ALA 60 Ca -0.06 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1ybm h ALA 60 Cb 0.98 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1ybm h ALA 60 CO 0.57 0.06 -0.59 -0.44 0.00 0.00 0.00 179.25 178.86 1ybm h ASP 61 N 0.67 0.35 0.60 0.00 3.32 -1.95 -2.36 116.42 117.04 1ybm h ASP 61 Ca 0.33 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1ybm h ASP 61 Cb 0.40 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1ybm h ASP 61 CO -0.11 0.85 -0.06 0.77 -1.72 0.00 0.00 179.24 178.97 1ybm h SER 62 N 0.23 0.00 0.06 6.45 4.64 -1.61 -3.16 113.55 120.16 1ybm h SER 62 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ybm h SER 62 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1ybm h SER 62 CO 0.09 0.06 -1.71 2.30 -0.87 0.00 0.00 176.83 176.71 1ybm n ILE 63 N -3.29 0.03 -0.30 0.95 -5.35 -1.13 -4.49 119.36 105.78 1ybm n ILE 63 Ca -0.01 -0.39 0.09 0.00 -0.27 0.00 0.00 62.75 62.17 1ybm n ILE 63 Cb 0.25 0.20 0.25 0.00 -1.74 0.00 0.00 39.64 38.60 1ybm n ILE 63 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 1ybm h ASN 64 N 0.00 0.51 -0.94 7.28 2.35 -1.39 -1.07 115.58 122.32 1ybm h ASN 64 Ca 0.00 0.10 0.21 0.00 -0.55 0.00 0.00 56.30 56.06 1ybm h ASN 64 Cb 0.89 0.03 -0.08 0.00 0.05 0.00 0.00 38.32 39.21 1ybm h ASN 64 CO 0.00 0.18 0.61 -0.65 -1.65 0.00 0.00 177.43 175.92 1ybm h PRO 65 N 0.59 0.45 0.00 0.81 0.10 -1.81 -2.18 132.00 129.96 1ybm h PRO 65 Ca 0.49 -0.03 -0.03 0.00 0.10 0.00 0.00 66.00 66.53 1ybm h PRO 65 Cb 0.75 -0.10 -0.00 0.00 0.10 0.00 0.00 31.00 31.75 1ybm h PRO 65 CO -0.40 0.30 -0.16 0.00 0.10 0.00 0.00 178.00 177.84 1ybm h ALA 66 N 1.61 1.07 0.00 -0.75 0.00 -1.50 -3.06 119.26 116.63 1ybm h ALA 66 Ca 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1ybm h ALA 66 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ybm h ALA 66 CO -0.22 0.20 -0.42 1.19 0.00 0.00 0.00 179.25 180.00 1ybm n PHE 67 N -3.39 0.21 -1.67 0.00 3.01 -0.82 -4.82 117.46 109.99 1ybm n PHE 67 Ca -0.00 0.06 -0.44 0.00 1.01 0.00 0.00 57.45 58.08 1ybm n PHE 67 Cb 0.36 -0.45 -0.04 0.00 -0.01 0.00 0.00 39.48 39.34 1ybm n PHE 67 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1ybm n GLN 68 N -1.72 2.65 -0.92 -1.08 1.13 -1.16 -2.64 117.38 113.65 1ybm n GLN 68 Ca 0.05 0.97 0.00 0.00 -1.94 0.00 0.00 57.00 56.08 1ybm n GLN 68 Cb 0.37 -2.89 0.00 0.00 0.11 0.00 0.00 30.24 27.84 1ybm n GLN 68 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ybm n GLY 69 N 4.45 0.72 3.83 1.08 0.00 -1.26 -5.03 105.19 108.97 1ybm n GLY 69 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1ybm n GLY 69 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ybm s ILE 70 N -3.07 4.20 -0.06 -0.61 -4.36 -1.08 -4.72 121.20 111.50 1ybm s ILE 70 Ca 0.00 0.93 0.07 0.00 -0.26 0.00 0.00 60.65 61.39 1ybm s ILE 70 Cb 0.00 -3.56 -0.10 0.00 1.25 0.00 0.00 42.46 40.05 1ybm s ILE 70 CO 0.00 -0.73 0.06 0.47 0.24 0.00 0.00 174.94 174.98 1ybm n ASP 71 N -2.23 3.08 -3.89 4.36 8.00 0.11 -4.38 116.55 121.60 1ybm n ASP 71 Ca 0.07 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.48 1ybm n ASP 71 Cb 0.53 0.85 -0.09 0.00 -0.02 0.00 0.00 41.12 42.40 1ybm n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ybm s ALA 72 N -2.28 -0.18 -0.05 2.24 0.00 -1.02 -0.88 121.76 119.58 1ybm s ALA 72 Ca -0.04 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1ybm s ALA 72 Cb 0.03 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.47 1ybm s ALA 72 CO 0.33 -0.37 -0.11 -1.17 0.00 0.00 0.00 175.76 174.43 1ybm s LEU 73 N -2.29 1.63 -0.26 0.00 2.96 -0.67 -1.51 118.68 118.53 1ybm s LEU 73 Ca -0.02 -0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1ybm s LEU 73 Cb 0.01 -0.73 0.03 0.00 0.50 0.00 0.00 46.19 45.99 1ybm s LEU 73 CO -0.06 0.03 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.28 1ybm s VAL 74 N 0.60 3.07 -0.38 1.68 1.01 0.18 -0.38 120.40 126.18 1ybm s VAL 74 Ca -0.12 -1.01 -0.20 0.00 0.00 0.00 0.00 61.98 60.65 1ybm s VAL 74 Cb -0.14 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.66 1ybm s VAL 74 CO 0.03 0.14 0.62 -0.63 0.00 0.00 0.00 175.10 175.26 1ybm s ILE 75 N 1.35 4.89 -0.10 2.22 1.01 0.12 -1.47 121.20 129.23 1ybm s ILE 75 Ca -0.00 0.42 0.13 0.00 0.00 0.00 0.00 60.65 61.21 1ybm s ILE 75 Cb -0.17 -4.09 0.26 0.00 0.01 0.00 0.00 42.46 38.46 1ybm s ILE 75 CO -0.03 -0.37 1.13 0.18 0.00 0.00 0.00 174.94 175.84 1ybm n LEU 76 N 6.06 1.63 -4.83 2.97 4.77 -0.83 -1.83 117.00 124.95 1ybm n LEU 76 Ca -0.02 -2.56 -0.33 0.00 -0.03 0.00 0.00 56.01 53.07 1ybm n LEU 76 Cb 0.48 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.23 1ybm n LEU 76 CO 0.50 0.70 0.58 0.42 -1.33 0.00 0.00 177.39 178.25 1ybm s THR 77 N -1.84 4.49 -0.09 -5.08 -4.23 -1.22 -4.45 115.64 103.22 1ybm s THR 77 Ca 0.25 1.29 -0.17 0.00 -1.18 0.00 0.00 61.69 61.87 1ybm s THR 77 Cb 0.24 -3.61 0.04 0.00 1.34 0.00 0.00 72.50 70.50 1ybm s THR 77 CO -0.02 -0.31 0.43 -0.55 -0.54 0.00 0.00 174.62 173.63 1ybm s SER 78 N -2.28 -0.39 0.30 3.99 0.15 -1.26 -4.99 113.70 109.22 1ybm s SER 78 Ca 0.59 0.56 -0.29 0.00 0.70 0.00 0.00 55.95 57.51 1ybm s SER 78 Cb -0.09 0.63 -0.11 0.00 -1.71 0.00 0.00 66.02 64.73 1ybm s SER 78 CO 0.16 -0.33 1.50 0.00 1.20 0.00 0.00 173.24 175.76 1ybm s ALA 79 N -0.57 3.65 -0.17 5.45 0.00 -1.26 -4.99 121.76 123.87 1ybm s ALA 79 Ca -0.07 1.47 0.01 0.00 0.00 0.00 0.00 51.96 53.38 1ybm s ALA 79 Cb -0.03 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.50 1ybm s ALA 79 CO 0.03 -0.90 -0.20 0.08 0.00 0.00 0.00 175.76 174.78 1ybm s VAL 80 N -0.38 2.17 0.33 0.00 1.01 -1.26 -4.98 120.40 117.30 1ybm s VAL 80 Ca 0.58 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 1ybm s VAL 80 Cb -0.45 -1.90 -0.10 0.00 0.00 0.00 0.00 36.38 33.93 1ybm s VAL 80 CO 0.51 0.54 1.26 -2.16 0.00 0.00 0.00 175.10 175.24 1ybm s PRO 81 N 1.09 4.35 -0.06 2.72 0.04 -1.26 -4.78 135.00 137.10 1ybm s PRO 81 Ca -0.00 2.11 -0.02 0.00 0.04 0.00 0.00 61.00 63.14 1ybm s PRO 81 Cb -0.14 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1ybm s PRO 81 CO -0.08 -0.16 0.03 0.15 0.04 0.00 0.00 177.00 176.99 1ybm s LYS 82 N -1.81 3.01 -0.06 4.56 -0.14 0.29 -4.88 119.74 120.70 1ybm s LYS 82 Ca 0.49 -0.43 -0.14 0.00 -1.36 0.00 0.00 55.97 54.53 1ybm s LYS 82 Cb -0.38 -2.82 -0.05 0.00 -1.68 0.00 0.00 37.83 32.90 1ybm s LYS 82 CO 0.49 0.69 0.37 1.41 -0.76 0.00 0.00 175.35 177.55 1ybm s MET 83 N -1.15 4.01 0.04 1.68 -2.45 -1.26 0.61 119.30 120.78 1ybm s MET 83 Ca 0.16 0.30 -0.30 0.00 -1.25 0.00 0.00 55.69 54.60 1ybm s MET 83 Cb -0.12 -3.29 -0.17 0.00 1.25 0.00 0.00 34.83 32.50 1ybm s MET 83 CO 0.06 0.52 1.38 0.87 1.05 0.00 0.00 175.02 178.90 1ybm h LYS 84 N 5.45 -1.06 -3.75 4.11 1.57 -1.95 -3.49 116.57 117.45 1ybm h LYS 84 Ca -0.48 0.07 -0.77 0.00 -1.87 0.00 0.00 60.65 57.61 1ybm h LYS 84 Cb 1.20 0.24 -0.29 0.00 0.08 0.00 0.00 32.23 33.47 1ybm h LYS 84 CO 0.66 -0.70 -0.02 -2.14 -0.57 0.00 0.00 179.45 176.68 1ybm s PRO 95 N -5.28 3.35 -0.05 3.15 0.02 -1.26 -5.17 135.00 129.76 1ybm s PRO 95 Ca -0.16 -2.51 0.04 0.00 0.02 0.00 0.00 61.00 58.40 1ybm s PRO 95 Cb 0.02 -4.25 -0.02 0.00 0.02 0.00 0.00 34.50 30.27 1ybm s PRO 95 CO 0.48 -1.26 -0.17 -2.00 -0.33 0.00 0.00 177.00 173.72 1ybm s GLU 96 N 0.05 2.46 -0.06 5.54 2.12 -1.26 -5.13 118.70 122.42 1ybm s GLU 96 Ca 0.18 -0.75 -0.01 0.00 0.36 0.00 0.00 54.97 54.74 1ybm s GLU 96 Cb -0.13 -2.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.92 1ybm s GLU 96 CO -0.08 0.58 0.02 -0.06 -0.54 0.00 0.00 175.26 175.18 1ybm s PHE 97 N -0.63 3.18 0.05 5.30 0.40 -1.26 -4.50 117.98 120.53 1ybm s PHE 97 Ca 0.09 0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.62 1ybm s PHE 97 Cb -0.11 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.62 1ybm s PHE 97 CO 0.01 0.49 -0.05 -1.50 0.70 0.00 0.00 175.22 174.87 1ybm s ILE 98 N -0.96 0.35 -0.27 0.64 1.10 0.20 -3.06 121.20 119.21 1ybm s ILE 98 Ca 0.16 -1.49 -0.11 0.00 -0.51 0.00 0.00 60.65 58.69 1ybm s ILE 98 Cb -0.11 -1.09 -0.05 0.00 0.15 0.00 0.00 42.46 41.35 1ybm s ILE 98 CO 0.05 -0.74 0.18 -0.36 -2.11 0.00 0.00 174.94 171.96 1ybm s PHE 99 N -2.82 3.25 0.85 3.50 0.08 -1.26 0.10 117.98 121.69 1ybm s PHE 99 Ca -0.00 0.15 -0.15 0.00 0.12 0.00 0.00 56.93 57.04 1ybm s PHE 99 Cb -0.00 -2.34 -0.05 0.00 -0.57 0.00 0.00 43.02 40.06 1ybm s PHE 99 CO -0.05 -0.09 0.11 0.39 -0.10 0.00 0.00 175.22 175.49 1ybm n GLU 100 N 4.81 -0.00 -2.36 0.44 -0.58 -1.26 -4.83 120.64 116.85 1ybm n GLU 100 Ca -0.14 0.03 -0.41 0.00 -0.42 0.00 0.00 57.16 56.21 1ybm n GLU 100 Cb 0.52 -1.57 -0.03 0.00 -0.57 0.00 0.00 31.44 29.78 1ybm n GLU 100 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ybm s ASP 101 N -1.51 7.06 -1.73 1.62 2.15 -1.26 -2.11 116.67 120.89 1ybm s ASP 101 Ca 0.56 2.22 0.00 0.00 0.43 0.00 0.00 52.55 55.76 1ybm s ASP 101 Cb -0.27 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.74 1ybm s ASP 101 CO 0.68 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.88 1ybm n GLY 102 N 2.38 1.59 1.89 2.66 0.00 -1.26 -4.87 105.19 107.58 1ybm n GLY 102 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1ybm n GLY 102 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ybm n GLN 103 N -2.53 1.11 -3.13 1.61 1.13 -0.90 -4.79 117.38 109.89 1ybm n GLN 103 Ca -0.16 -2.87 -0.32 0.00 -1.94 0.00 0.00 57.00 51.71 1ybm n GLN 103 Cb 0.54 -0.95 -0.05 0.00 0.11 0.00 0.00 30.24 29.89 1ybm n GLN 103 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1ybm s TYR 104 N -2.01 3.40 0.41 1.08 1.51 -1.25 -4.53 117.35 115.96 1ybm s TYR 104 Ca 0.34 1.13 0.33 0.00 -1.01 0.00 0.00 57.07 57.86 1ybm s TYR 104 Cb 0.37 -2.48 1.35 0.00 -0.11 0.00 0.00 41.96 41.09 1ybm s TYR 104 CO -0.09 0.08 1.34 -2.30 -1.11 0.00 0.00 175.55 173.47 1ybm n PRO 105 N -0.50 -0.02 -0.16 -1.71 -0.02 -1.26 0.55 135.00 131.87 1ybm n PRO 105 Ca 0.03 1.03 -0.08 0.00 -2.02 0.00 0.00 63.50 62.46 1ybm n PRO 105 Cb 0.53 -2.13 0.01 0.00 -0.02 0.00 0.00 33.50 31.89 1ybm n PRO 105 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ybm h GLU 106 N 0.00 0.67 0.05 -0.52 4.81 -1.92 0.14 114.58 117.81 1ybm h GLU 106 Ca 0.78 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.84 1ybm h GLU 106 Cb 2.71 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 31.97 1ybm h GLU 106 CO -0.27 0.54 -0.36 1.96 -0.73 0.00 0.00 179.01 180.15 1ybm h GLN 107 N 0.62 0.16 0.02 1.92 7.50 -0.24 -1.62 115.11 123.46 1ybm h GLN 107 Ca 0.17 -0.23 -0.04 0.00 0.50 0.00 0.00 58.65 59.05 1ybm h GLN 107 Cb 0.07 0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.69 1ybm h GLN 107 CO -0.02 1.07 -0.15 0.28 -1.50 0.00 0.00 178.83 178.50 1ybm h VAL 108 N -0.64 1.67 0.08 -0.54 2.07 -1.02 0.65 116.25 118.52 1ybm h VAL 108 Ca -0.06 -2.17 -0.33 0.00 0.82 0.00 0.00 66.70 64.95 1ybm h VAL 108 Cb 1.23 3.13 -0.03 0.00 -1.52 0.00 0.00 31.29 34.10 1ybm h VAL 108 CO 0.07 0.58 -1.86 0.44 0.02 0.00 0.00 177.57 176.82 1ybm h ASP 109 N -0.77 0.25 0.00 0.57 3.32 -0.97 -2.64 116.42 116.18 1ybm h ASP 109 Ca -0.02 -0.56 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1ybm h ASP 109 Cb 1.03 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1ybm h ASP 109 CO 0.03 1.50 0.00 1.87 -1.72 0.00 0.00 179.24 180.92 1ybm n TRP 110 N -3.31 0.00 -0.28 4.55 -0.00 -0.65 -3.83 117.44 113.92 1ybm n TRP 110 Ca -0.25 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.19 1ybm n TRP 110 Cb 1.05 -0.34 0.06 0.00 -0.00 0.00 0.00 31.31 32.08 1ybm n TRP 110 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 1ybm h ILE 111 N 0.00 1.26 -0.45 5.87 1.08 -1.28 0.91 117.51 124.90 1ybm h ILE 111 Ca 0.00 -0.86 -0.08 0.00 -0.39 0.00 0.00 64.86 63.53 1ybm h ILE 111 Cb 0.00 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 1ybm h ILE 111 CO 0.00 0.35 -0.05 1.23 -0.69 0.00 0.00 178.15 178.98 1ybm h GLY 112 N 1.13 0.83 1.71 5.37 0.00 0.70 -0.78 103.07 112.03 1ybm h GLY 112 Ca 0.25 -0.58 -0.25 0.00 0.00 0.00 0.00 47.33 46.75 1ybm h GLY 112 CO -0.02 0.54 -1.13 1.46 0.00 0.00 0.00 176.54 177.40 1ybm h GLN 113 N 0.71 0.22 -0.51 4.80 4.20 -1.32 -3.08 115.11 120.13 1ybm h GLN 113 Ca 0.13 -0.35 0.05 0.00 0.06 0.00 0.00 58.65 58.54 1ybm h GLN 113 Cb 0.51 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.37 1ybm h GLN 113 CO 0.03 1.14 0.25 -0.22 -0.67 0.00 0.00 178.83 179.35 1ybm h LYS 114 N 0.08 0.47 -0.99 1.46 3.64 -0.04 -0.57 116.57 120.62 1ybm h LYS 114 Ca -0.10 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1ybm h LYS 114 Cb 1.84 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 33.50 1ybm h LYS 114 CO 0.18 0.31 0.65 -0.91 -2.27 0.00 0.00 179.45 177.41 1ybm h ASN 115 N 0.48 1.07 -0.61 4.20 2.35 -1.19 -0.77 115.58 121.11 1ybm h ASN 115 Ca 0.22 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 1ybm h ASN 115 Cb 0.15 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1ybm h ASN 115 CO -0.16 0.73 0.16 1.56 -1.65 0.00 0.00 177.43 178.06 1ybm h GLN 116 N 1.24 0.98 -0.22 0.81 4.20 -1.28 -1.41 115.11 119.44 1ybm h GLN 116 Ca 0.40 -0.23 -0.14 0.00 0.06 0.00 0.00 58.65 58.73 1ybm h GLN 116 Cb 0.02 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1ybm h GLN 116 CO -0.13 0.89 -0.45 0.82 -0.67 0.00 0.00 178.83 179.29 1ybm h ILE 117 N 0.89 1.31 -0.02 2.54 2.04 -0.71 0.49 117.51 124.05 1ybm h ILE 117 Ca 0.19 -1.65 -0.06 0.00 1.00 0.00 0.00 64.86 64.35 1ybm h ILE 117 Cb 0.34 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1ybm h ILE 117 CO 0.00 0.52 -0.22 0.44 0.00 0.00 0.00 178.15 178.88 1ybm h ASP 118 N 0.45 0.23 -0.69 1.72 3.32 -1.10 -1.50 116.42 118.84 1ybm h ASP 118 Ca 0.03 -0.71 0.13 0.00 0.02 0.00 0.00 57.03 56.50 1ybm h ASP 118 Cb 0.97 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.35 1ybm h ASP 118 CO 0.09 0.91 0.21 0.00 -1.72 0.00 0.00 179.24 178.73 1ybm h ALA 119 N 0.32 0.91 -0.55 3.45 0.00 -1.27 -2.57 119.26 119.55 1ybm h ALA 119 Ca -0.02 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1ybm h ALA 119 Cb 0.93 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1ybm h ALA 119 CO 0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 179.25 179.03 1ybm h ALA 120 N 1.53 0.95 -0.59 0.00 0.00 -0.68 -3.10 119.26 117.37 1ybm h ALA 120 Ca 0.38 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ybm h ALA 120 Cb 0.58 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1ybm h ALA 120 CO -0.42 0.63 0.29 0.87 0.00 0.00 0.00 179.25 180.62 1ybm h LYS 121 N 0.88 0.85 -0.78 0.00 1.57 -0.88 -2.42 116.57 115.79 1ybm h LYS 121 Ca 0.16 -0.12 0.18 0.00 -1.87 0.00 0.00 60.65 58.99 1ybm h LYS 121 Cb 0.52 -0.15 -0.14 0.00 0.08 0.00 0.00 32.23 32.53 1ybm h LYS 121 CO 0.03 0.69 -0.05 0.28 -0.57 0.00 0.00 179.45 179.83 1ybm h VAL 122 N 0.81 0.28 -0.00 0.50 2.07 -1.47 -1.37 116.25 117.07 1ybm h VAL 122 Ca 0.20 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1ybm h VAL 122 Cb 0.11 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1ybm h VAL 122 CO -0.03 0.01 -0.05 0.00 0.02 0.00 0.00 177.57 177.52 1ybm n ALA 123 N -3.06 2.68 -2.41 1.67 0.00 -0.98 -4.89 120.51 113.52 1ybm n ALA 123 Ca 0.14 -0.26 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 1ybm n ALA 123 Cb 0.48 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.56 1ybm n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ybm n GLY 124 N 1.19 0.37 3.66 0.00 0.00 -0.51 -4.72 105.19 105.17 1ybm n GLY 124 Ca 0.18 -0.57 -0.47 0.00 0.00 0.00 0.00 46.02 45.15 1ybm n GLY 124 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ybm n VAL 125 N -3.58 0.00 0.65 1.61 0.31 -1.00 -4.91 118.33 111.41 1ybm n VAL 125 Ca -0.03 -0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.43 1ybm n VAL 125 Cb 0.53 -1.42 0.43 0.00 -0.91 0.00 0.00 33.84 32.47 1ybm n VAL 125 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1ybm n LYS 126 N 3.28 0.23 -3.58 5.55 -0.00 -0.06 -4.85 118.16 118.75 1ybm n LYS 126 Ca 0.17 0.21 -0.02 0.00 -0.00 0.00 0.00 58.31 58.67 1ybm n LYS 126 Cb 0.27 -1.78 -0.05 0.00 -0.00 0.00 0.00 35.03 33.47 1ybm n LYS 126 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1ybm s HIS 127 N -3.10 -0.97 -0.20 5.58 5.04 -1.24 -4.05 115.29 116.35 1ybm s HIS 127 Ca 0.11 1.76 -0.01 0.00 -1.54 0.00 0.00 55.06 55.37 1ybm s HIS 127 Cb 0.13 0.58 0.01 0.00 0.04 0.00 0.00 32.58 33.33 1ybm s HIS 127 CO 0.58 -0.48 -0.14 0.42 -2.34 0.00 0.00 174.74 172.78 1ybm s ILE 128 N 2.26 2.60 -0.15 0.89 1.01 -0.30 -1.68 121.20 125.84 1ybm s ILE 128 Ca -0.06 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 1ybm s ILE 128 Cb -0.07 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1ybm s ILE 128 CO -0.18 0.49 0.13 -0.69 0.00 0.00 0.00 174.94 174.69 1ybm s VAL 129 N 1.37 5.40 -0.05 2.92 1.01 0.49 -1.20 120.40 130.35 1ybm s VAL 129 Ca 0.05 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.24 1ybm s VAL 129 Cb -0.14 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.85 1ybm s VAL 129 CO -0.09 0.54 -0.11 0.54 0.00 0.00 0.00 175.10 175.98 1ybm s VAL 130 N -0.40 1.03 -0.22 2.92 0.11 -0.11 0.14 120.40 123.86 1ybm s VAL 130 Ca 0.12 -0.46 -0.12 0.00 -2.93 0.00 0.00 61.98 58.59 1ybm s VAL 130 Cb -0.12 -0.92 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 1ybm s VAL 130 CO 0.01 0.32 0.23 -0.69 -3.33 0.00 0.00 175.10 171.64 1ybm s VAL 131 N 0.41 5.32 0.00 2.04 1.01 -0.76 -0.54 120.40 127.87 1ybm s VAL 131 Ca -0.08 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1ybm s VAL 131 Cb -0.12 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1ybm s VAL 131 CO 0.02 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1ybm n GLY 132 N 4.09 5.16 3.06 4.51 0.00 0.15 -4.84 105.19 117.32 1ybm n GLY 132 Ca -0.13 -1.62 -0.18 0.00 0.00 0.00 0.00 46.02 44.09 1ybm n GLY 132 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ybm s SER 133 N 1.00 1.20 0.60 1.61 0.15 -1.26 -2.31 113.70 114.69 1ybm s SER 133 Ca 0.00 -0.31 -0.18 0.00 0.70 0.00 0.00 55.95 56.16 1ybm s SER 133 Cb 0.00 -0.09 -0.06 0.00 -1.71 0.00 0.00 66.02 64.16 1ybm s SER 133 CO 0.00 0.04 0.88 0.23 1.20 0.00 0.00 173.24 175.59 1ybm n MET 134 N 2.36 0.81 0.00 5.44 2.81 -0.02 -4.33 117.12 124.20 1ybm n MET 134 Ca -0.16 0.32 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1ybm n MET 134 Cb 0.56 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 1ybm n MET 134 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ybm n GLY 135 N 1.39 0.86 0.17 3.03 0.00 -1.26 -5.02 105.19 104.35 1ybm n GLY 135 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1ybm n GLY 135 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ybm h GLY 136 N 0.00 0.00 2.00 -0.02 0.00 -1.88 -3.15 103.07 100.02 1ybm h GLY 136 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1ybm h GLY 136 CO 0.00 0.00 -0.12 -0.91 0.00 0.00 0.00 176.54 175.51 1ybm h THR 137 N 0.00 0.28 -3.41 4.70 1.35 -1.95 -3.39 112.91 110.48 1ybm h THR 137 Ca 0.00 -0.91 -0.72 0.00 -0.55 0.00 0.00 66.41 64.22 1ybm h THR 137 Cb 0.99 1.73 -0.31 0.00 -1.73 0.00 0.00 68.15 68.83 1ybm h THR 137 CO 0.00 0.12 -0.37 0.21 -0.25 0.00 0.00 175.52 175.22 1ybm s ASN 138 N -6.01 5.63 0.61 5.36 2.47 -1.19 -4.97 114.94 116.84 1ybm s ASN 138 Ca 0.02 -2.16 0.29 0.00 0.42 0.00 0.00 52.86 51.42 1ybm s ASN 138 Cb 0.09 -1.97 1.50 0.00 -1.45 0.00 0.00 41.25 39.42 1ybm s ASN 138 CO 0.61 -0.60 1.89 1.55 -3.72 0.00 0.00 177.10 176.83 1ybm h PRO 139 N 8.09 0.00 -0.01 0.43 0.13 -1.80 -2.30 132.00 136.54 1ybm h PRO 139 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1ybm h PRO 139 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1ybm h PRO 139 CO 0.80 0.00 -0.07 -0.25 -0.23 0.00 0.00 178.00 178.25 1ybm n ASP 140 N -3.50 1.21 -4.33 1.44 9.92 -1.26 -4.95 116.55 115.08 1ybm n ASP 140 Ca 0.06 -1.25 -0.55 0.00 -0.53 0.00 0.00 54.79 52.52 1ybm n ASP 140 Cb 0.60 0.03 -0.07 0.00 -0.64 0.00 0.00 41.12 41.03 1ybm n ASP 140 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1ybm n HIS 141 N -0.19 0.41 -0.37 1.24 -0.00 -0.87 -4.85 115.22 110.59 1ybm n HIS 141 Ca 0.17 1.01 0.29 0.00 0.46 0.00 0.00 57.72 59.65 1ybm n HIS 141 Cb 0.33 -1.99 0.58 0.00 -0.12 0.00 0.00 29.99 28.78 1ybm n HIS 141 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1ybm h PRO 142 N 2.53 0.24 -0.09 1.57 0.13 -1.93 -2.56 132.00 131.89 1ybm h PRO 142 Ca -0.45 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1ybm h PRO 142 Cb 1.38 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ybm h PRO 142 CO 0.61 0.16 0.06 -0.07 -0.23 0.00 0.00 178.00 178.53 1ybm h LEU 143 N 0.25 0.07 -1.85 1.56 3.38 -1.98 -2.37 115.31 114.37 1ybm h LEU 143 Ca 0.69 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.63 1ybm h LEU 143 Cb 1.99 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.72 1ybm h LEU 143 CO -0.34 0.05 -0.12 0.78 0.09 0.00 0.00 178.44 178.89 1ybm h ASN 144 N 0.09 0.00 0.29 -0.43 2.35 -1.80 -2.80 115.58 113.27 1ybm h ASN 144 Ca 0.04 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.59 1ybm h ASN 144 Cb 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1ybm h ASN 144 CO -0.01 0.12 -0.80 0.11 -1.65 0.00 0.00 177.43 175.20 1ybm h LYS 145 N 0.00 0.40 -6.01 0.81 1.57 -1.60 -0.49 116.57 111.25 1ybm h LYS 145 Ca -0.00 -0.37 -0.76 0.00 -1.87 0.00 0.00 60.65 57.66 1ybm h LYS 145 Cb 0.37 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1ybm h LYS 145 CO 0.02 1.02 1.23 -0.11 -0.57 0.00 0.00 179.45 181.03 1ybm n LEU 146 N -3.80 1.30 -0.89 2.94 7.94 -1.06 0.12 117.00 123.54 1ybm n LEU 146 Ca -0.05 0.71 -0.12 0.00 -1.11 0.00 0.00 56.01 55.44 1ybm n LEU 146 Cb 0.75 -1.01 -0.05 0.00 0.53 0.00 0.00 43.42 43.64 1ybm n LEU 146 CO 0.49 -0.74 -0.11 0.61 -1.11 0.00 0.00 177.39 176.53 1ybm n GLY 147 N 6.55 1.13 2.68 -3.96 0.00 -1.17 -2.34 105.19 108.08 1ybm n GLY 147 Ca 0.46 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 46.26 1ybm n GLY 147 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ybm n ASN 148 N -1.09 -5.38 -0.02 1.61 5.15 0.12 -4.29 115.26 111.36 1ybm n ASN 148 Ca -0.12 -0.18 -0.13 0.00 -0.60 0.00 0.00 54.58 53.55 1ybm n ASN 148 Cb 0.58 -4.28 -0.14 0.00 -0.53 0.00 0.00 39.78 35.40 1ybm n ASN 148 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ybm n GLY 149 N -1.30 -0.83 3.28 8.20 0.00 -0.99 -5.00 105.19 108.56 1ybm n GLY 149 Ca -0.13 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 1ybm n GLY 149 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ybm n ASN 150 N -3.19 -6.15 -0.28 1.61 3.02 -0.20 -4.58 115.26 105.49 1ybm n ASN 150 Ca -0.24 -0.41 0.08 0.00 -0.03 0.00 0.00 54.58 53.98 1ybm n ASN 150 Cb 1.05 -4.86 0.22 0.00 -0.61 0.00 0.00 39.78 35.59 1ybm n ASN 150 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1ybm h ILE 151 N -2.05 0.62 0.00 2.41 2.10 -1.82 -0.88 117.51 117.88 1ybm h ILE 151 Ca -0.53 -0.16 -0.10 0.00 1.08 0.00 0.00 64.86 65.15 1ybm h ILE 151 Cb 1.36 0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 37.19 1ybm h ILE 151 CO 0.55 0.08 -0.48 -0.07 -1.08 0.00 0.00 178.15 177.15 1ybm h LEU 152 N 0.46 0.00 -0.01 2.19 3.38 -1.91 -1.65 115.31 117.77 1ybm h LEU 152 Ca 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.43 1ybm h LEU 152 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ybm h LEU 152 CO -0.43 0.48 -0.01 0.58 0.09 0.00 0.00 178.44 179.15 1ybm h VAL 153 N 0.00 1.36 -0.74 1.22 2.07 -1.57 -1.81 116.25 116.78 1ybm h VAL 153 Ca -0.00 -1.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 1ybm h VAL 153 Cb 0.98 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.78 1ybm h VAL 153 CO 0.06 0.28 0.27 -0.50 0.02 0.00 0.00 177.57 177.71 1ybm h TRP 154 N -0.42 1.15 -0.52 1.57 4.06 -1.24 -1.08 115.95 119.46 1ybm h TRP 154 Ca 0.00 -0.10 -0.06 0.00 2.06 0.00 0.00 58.89 60.80 1ybm h TRP 154 Cb 0.46 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 28.26 1ybm h TRP 154 CO 0.08 0.89 0.10 0.87 -3.56 0.00 0.00 178.44 176.82 1ybm h LYS 155 N 1.07 0.86 -0.72 0.49 1.57 -1.35 -1.50 116.57 116.98 1ybm h LYS 155 Ca 0.24 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1ybm h LYS 155 Cb 0.25 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 1ybm h LYS 155 CO -0.02 0.83 0.45 -0.09 -0.57 0.00 0.00 179.45 180.05 1ybm h ARG 156 N 0.74 0.85 -0.60 3.15 2.43 -1.15 0.58 114.38 120.37 1ybm h ARG 156 Ca 0.16 -0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.38 1ybm h ARG 156 Cb 0.38 -0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.66 1ybm h ARG 156 CO 0.01 0.56 0.21 -0.22 -1.51 0.00 0.00 179.97 179.02 1ybm h LYS 157 N 0.87 0.37 -0.54 0.20 3.64 -0.56 0.16 116.57 120.71 1ybm h LYS 157 Ca 0.29 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.58 1ybm h LYS 157 Cb 0.04 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1ybm h LYS 157 CO -0.12 0.25 0.08 0.00 -2.27 0.00 0.00 179.45 177.39 1ybm h ALA 158 N 1.42 0.72 -0.57 5.00 0.00 -0.83 0.34 119.26 125.35 1ybm h ALA 158 Ca 0.31 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ybm h ALA 158 Cb 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1ybm h ALA 158 CO -0.32 0.47 0.36 0.93 0.00 0.00 0.00 179.25 180.70 1ybm h GLU 159 N 0.79 0.70 -0.39 0.00 5.08 0.02 0.03 114.58 120.82 1ybm h GLU 159 Ca 0.16 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 1ybm h GLU 159 Cb 0.42 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1ybm h GLU 159 CO 0.01 0.47 -0.23 0.37 -1.00 0.00 0.00 179.01 178.63 1ybm h GLN 160 N 0.72 0.84 -0.72 2.33 5.75 -0.13 -1.22 115.11 122.68 1ybm h GLN 160 Ca 0.22 -0.38 0.09 0.00 -0.15 0.00 0.00 58.65 58.42 1ybm h GLN 160 Cb -0.04 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.45 1ybm h GLN 160 CO -0.07 1.02 0.47 -0.92 -2.65 0.00 0.00 178.83 176.68 1ybm h TYR 161 N 0.64 0.68 -0.04 3.99 3.20 -0.57 -1.03 116.97 123.84 1ybm h TYR 161 Ca 0.08 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 1ybm h TYR 161 Cb 0.79 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.85 1ybm h TYR 161 CO 0.06 0.33 -0.42 1.25 -1.64 0.00 0.00 178.16 177.74 1ybm h LEU 162 N 0.65 0.43 -1.40 2.82 5.85 -0.64 -2.57 115.31 120.45 1ybm h LEU 162 Ca 0.32 -0.71 0.13 0.00 0.84 0.00 0.00 57.88 58.47 1ybm h LEU 162 Cb 0.41 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 1ybm h LEU 162 CO -0.11 1.08 0.54 0.00 -0.34 0.00 0.00 178.44 179.60 1ybm h ALA 163 N 0.36 1.91 0.00 1.25 0.00 -0.97 -3.12 119.26 118.70 1ybm h ALA 163 Ca -0.04 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1ybm h ALA 163 Cb 1.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1ybm h ALA 163 CO 0.08 -0.12 -0.80 -0.44 0.00 0.00 0.00 179.25 177.97 1ybm h ASP 164 N 0.61 0.00 0.55 0.00 3.32 -1.13 -3.39 116.42 116.38 1ybm h ASP 164 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1ybm h ASP 164 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1ybm h ASP 164 CO -0.16 0.80 0.00 0.77 -1.72 0.00 0.00 179.24 178.93 1ybm h SER 165 N 0.00 0.00 0.00 6.45 4.64 -1.39 -3.47 113.55 119.78 1ybm h SER 165 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ybm h SER 165 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1ybm h SER 165 CO 0.10 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 1ybm n GLY 166 N -0.34 2.84 3.73 -0.77 0.00 -1.26 -5.05 105.19 104.34 1ybm n GLY 166 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1ybm n GLY 166 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ybm s THR 167 N -2.19 4.41 0.17 2.61 2.01 -1.26 -5.00 115.64 116.38 1ybm s THR 167 Ca 0.00 2.07 -0.33 0.00 0.31 0.00 0.00 61.69 63.73 1ybm s THR 167 Cb 0.00 -4.32 -0.14 0.00 0.01 0.00 0.00 72.50 68.05 1ybm s THR 167 CO 0.00 0.35 1.45 -2.65 -0.69 0.00 0.00 174.62 173.08 1ybm n PRO 168 N 2.54 1.86 -4.10 4.92 -0.02 -1.26 -4.85 135.00 134.09 1ybm n PRO 168 Ca 0.02 0.67 -0.12 0.00 -2.02 0.00 0.00 63.50 62.05 1ybm n PRO 168 Cb 0.49 -2.36 -0.11 0.00 -0.02 0.00 0.00 33.50 31.50 1ybm n PRO 168 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1ybm s TYR 169 N 0.45 0.72 -0.11 6.00 1.13 -1.26 -1.15 117.35 123.14 1ybm s TYR 169 Ca 0.76 -0.69 -0.01 0.00 -1.41 0.00 0.00 57.07 55.73 1ybm s TYR 169 Cb -0.73 -0.43 0.03 0.00 -1.10 0.00 0.00 41.96 39.72 1ybm s TYR 169 CO 0.44 -0.13 -0.06 0.99 -2.51 0.00 0.00 175.55 174.28 1ybm s THR 170 N -2.36 0.91 -0.24 -3.49 2.01 -0.34 0.74 115.64 112.87 1ybm s THR 170 Ca -0.01 -0.23 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 1ybm s THR 170 Cb -0.03 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 1ybm s THR 170 CO -0.02 0.33 0.09 -0.63 -0.69 0.00 0.00 174.62 173.70 1ybm s ILE 171 N 1.75 4.60 -0.33 1.82 1.01 -0.51 -0.94 121.20 128.60 1ybm s ILE 171 Ca 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 60.65 60.61 1ybm s ILE 171 Cb -0.13 -3.14 0.08 0.00 0.01 0.00 0.00 42.46 39.28 1ybm s ILE 171 CO -0.08 0.35 0.05 -0.63 0.00 0.00 0.00 174.94 174.63 1ybm s ILE 172 N 1.34 2.83 -0.83 2.92 1.01 0.29 -2.17 121.20 126.60 1ybm s ILE 172 Ca 0.05 -1.78 -0.19 0.00 0.00 0.00 0.00 60.65 58.74 1ybm s ILE 172 Cb -0.15 -2.80 0.13 0.00 0.01 0.00 0.00 42.46 39.65 1ybm s ILE 172 CO 0.04 -0.35 0.99 -0.13 0.00 0.00 0.00 174.94 175.50 1ybm s ARG 173 N 1.14 3.45 0.56 2.79 0.52 0.04 0.33 118.95 127.77 1ybm s ARG 173 Ca 0.01 -1.66 -0.19 0.00 -0.52 0.00 0.00 55.73 53.37 1ybm s ARG 173 Cb -0.20 -4.66 -0.05 0.00 0.52 0.00 0.00 34.95 30.56 1ybm s ARG 173 CO -0.04 -1.68 1.15 0.00 0.02 0.00 0.00 175.30 174.75 1ybm s ALA 174 N 2.53 2.64 1.09 2.13 0.00 -0.98 0.09 121.76 129.27 1ybm s ALA 174 Ca 0.26 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.94 1ybm s ALA 174 Cb -0.10 -3.38 0.19 0.00 0.00 0.00 0.00 23.12 19.82 1ybm s ALA 174 CO -0.04 -0.91 0.84 0.41 0.00 0.00 0.00 175.76 176.06 1ybm n GLY 175 N 0.21 -2.05 3.64 0.00 0.00 0.17 -0.84 105.19 106.32 1ybm n GLY 175 Ca 0.12 -1.59 -0.46 0.00 0.00 0.00 0.00 46.02 44.09 1ybm n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ybm n GLY 176 N -1.82 0.52 3.76 -0.02 0.00 -0.82 -4.45 105.19 102.35 1ybm n GLY 176 Ca 0.11 0.52 -0.40 0.00 0.00 0.00 0.00 46.02 46.25 1ybm n GLY 176 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ybm s LEU 177 N 0.34 4.49 0.07 0.99 1.43 -1.26 -0.12 118.68 124.62 1ybm s LEU 177 Ca 0.71 1.49 0.09 0.00 -1.03 0.00 0.00 54.13 55.39 1ybm s LEU 177 Cb -0.73 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 1ybm s LEU 177 CO 0.50 0.08 -0.23 -0.76 0.23 0.00 0.00 176.35 176.16 1ybm s LEU 178 N -0.38 2.37 -1.20 1.79 1.43 -0.11 -4.89 118.68 117.69 1ybm s LEU 178 Ca 0.37 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.81 1ybm s LEU 178 Cb -0.21 -1.36 0.21 0.00 0.03 0.00 0.00 46.19 44.86 1ybm s LEU 178 CO 0.24 0.24 1.56 0.47 0.23 0.00 0.00 176.35 179.08 1ybm n ASP 179 N 1.47 5.46 -4.16 2.29 8.00 -1.26 -0.72 116.55 127.63 1ybm n ASP 179 Ca -0.17 -3.12 -0.11 0.00 0.71 0.00 0.00 54.79 52.09 1ybm n ASP 179 Cb 0.52 -1.45 -0.10 0.00 -0.02 0.00 0.00 41.12 40.07 1ybm n ASP 179 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ybm s LYS 180 N -0.16 0.80 0.24 -1.24 -0.14 -1.26 -5.04 119.74 112.94 1ybm s LYS 180 Ca 0.38 -1.24 -0.31 0.00 -1.36 0.00 0.00 55.97 53.44 1ybm s LYS 180 Cb 0.02 -0.27 -0.14 0.00 -1.68 0.00 0.00 37.83 35.76 1ybm s LYS 180 CO 0.01 0.01 1.29 0.39 -0.76 0.00 0.00 175.35 176.29 1ybm n GLU 181 N 0.23 1.76 -2.59 1.68 -0.58 -1.26 -4.46 120.64 115.42 1ybm n GLU 181 Ca -0.14 0.62 -0.28 0.00 -0.42 0.00 0.00 57.16 56.95 1ybm n GLU 181 Cb 0.60 -2.20 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 1ybm n GLU 181 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1ybm s GLY 182 N 0.07 1.51 0.00 0.62 0.00 -1.26 -4.42 107.32 103.84 1ybm s GLY 182 Ca 0.67 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.91 1ybm s GLY 182 CO 0.53 -0.31 0.00 0.61 0.00 0.00 0.00 173.10 173.93 1ybm n GLY 183 N -2.29 0.85 0.06 0.20 0.00 -1.26 -4.90 105.19 97.84 1ybm n GLY 183 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1ybm n GLY 183 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ybm n VAL 184 N -2.08 0.89 -4.33 1.61 0.24 -1.26 -4.78 118.33 108.62 1ybm n VAL 184 Ca 0.00 -0.94 -0.22 0.00 -2.04 0.00 0.00 64.34 61.14 1ybm n VAL 184 Cb 0.00 0.56 -0.11 0.00 -1.47 0.00 0.00 33.84 32.82 1ybm n VAL 184 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1ybm s ARG 185 N -0.90 1.27 -0.22 7.34 0.52 -1.26 -4.45 118.95 121.25 1ybm s ARG 185 Ca 0.02 -1.39 -0.29 0.00 -0.52 0.00 0.00 55.73 53.55 1ybm s ARG 185 Cb 0.01 -1.34 -0.00 0.00 0.52 0.00 0.00 34.95 34.14 1ybm s ARG 185 CO 0.02 0.27 1.22 -2.00 0.02 0.00 0.00 175.30 174.83 1ybm s GLU 186 N -2.74 4.15 0.13 3.54 2.12 -1.24 -1.38 118.70 123.27 1ybm s GLU 186 Ca 0.15 1.46 -0.27 0.00 0.36 0.00 0.00 54.97 56.67 1ybm s GLU 186 Cb -0.06 -3.77 -0.07 0.00 0.26 0.00 0.00 34.13 30.49 1ybm s GLU 186 CO 0.06 -0.81 0.83 -0.51 -0.54 0.00 0.00 175.26 174.30 1ybm s LEU 187 N 3.67 4.54 -0.03 2.70 1.43 -1.26 -0.17 118.68 129.56 1ybm s LEU 187 Ca 0.52 1.65 0.03 0.00 -1.03 0.00 0.00 54.13 55.31 1ybm s LEU 187 Cb -0.18 -3.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 1ybm s LEU 187 CO 0.15 0.09 -0.11 -0.76 0.23 0.00 0.00 176.35 175.95 1ybm s LEU 188 N -0.58 2.93 -0.16 1.79 1.43 -0.31 -4.93 118.68 118.85 1ybm s LEU 188 Ca 0.39 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1ybm s LEU 188 Cb -0.23 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.35 1ybm s LEU 188 CO 0.27 0.32 -0.19 -0.69 0.23 0.00 0.00 176.35 176.29 1ybm s VAL 189 N -0.84 2.28 0.43 -1.59 1.01 -1.26 -1.12 120.40 119.31 1ybm s VAL 189 Ca 0.14 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1ybm s VAL 189 Cb -0.11 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1ybm s VAL 189 CO 0.03 0.53 0.06 -0.83 0.00 0.00 0.00 175.10 174.90 1ybm s GLY 190 N 0.98 2.66 0.09 4.51 0.00 0.88 -4.92 107.32 111.53 1ybm s GLY 190 Ca -0.03 -1.17 0.10 0.00 0.00 0.00 0.00 44.72 43.62 1ybm s GLY 190 CO -0.05 -1.98 -0.26 1.25 0.00 0.00 0.00 173.10 172.07 1ybm s LYS 191 N -3.79 1.50 -1.67 2.90 2.20 -1.26 0.00 119.74 119.62 1ybm s LYS 191 Ca 0.21 -1.22 -0.11 0.00 -0.36 0.00 0.00 55.97 54.49 1ybm s LYS 191 Cb 0.04 -1.84 0.10 0.00 -1.51 0.00 0.00 37.83 34.62 1ybm s LYS 191 CO 0.11 0.45 0.36 -0.25 -0.36 0.00 0.00 175.35 175.67 1ybm n ASP 192 N 1.28 -0.73 -0.03 1.43 8.00 -1.26 -1.62 116.55 123.62 1ybm n ASP 192 Ca -0.18 -1.20 -0.00 0.00 0.71 0.00 0.00 54.79 54.12 1ybm n ASP 192 Cb 0.53 -1.94 -0.00 0.00 -0.02 0.00 0.00 41.12 39.69 1ybm n ASP 192 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ybm n ASP 193 N -2.73 -4.44 0.26 -2.24 8.00 -1.26 -4.87 116.55 109.27 1ybm n ASP 193 Ca -0.12 0.01 0.09 0.00 0.71 0.00 0.00 54.79 55.48 1ybm n ASP 193 Cb 0.59 -1.98 0.66 0.00 -0.02 0.00 0.00 41.12 40.37 1ybm n ASP 193 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1ybm h GLU 194 N 0.49 0.00 0.00 -1.24 5.08 -1.70 -0.05 114.58 117.16 1ybm h GLU 194 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ybm h GLU 194 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ybm h GLU 194 CO 0.01 0.07 0.00 1.28 -1.00 0.00 0.00 179.01 179.37 1ybm n LEU 195 N -4.24 0.06 -0.05 1.33 4.77 -1.26 -2.38 117.00 115.22 1ybm n LEU 195 Ca -0.03 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.61 1ybm n LEU 195 Cb 0.15 -0.50 0.66 0.00 -2.33 0.00 0.00 43.42 41.39 1ybm n LEU 195 CO 0.33 -0.26 0.92 0.18 -1.33 0.00 0.00 177.39 177.23 1ybm n LEU 196 N -1.57 0.24 0.00 2.23 4.77 -0.03 -2.02 117.00 120.63 1ybm n LEU 196 Ca 0.04 0.16 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1ybm n LEU 196 Cb 0.19 -0.25 0.27 0.00 -2.33 0.00 0.00 43.42 41.30 1ybm n LEU 196 CO 0.15 0.05 0.48 0.00 -1.33 0.00 0.00 177.39 176.74 1ybm n GLN 197 N -1.16 0.02 -3.33 3.23 1.13 -1.00 -4.93 117.38 111.34 1ybm n GLN 197 Ca 0.13 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.99 1ybm n GLN 197 Cb 0.27 -1.51 0.02 0.00 0.11 0.00 0.00 30.24 29.12 1ybm n GLN 197 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1ybm s THR 198 N -3.01 2.32 -0.43 5.09 -4.23 -0.85 -5.01 115.64 109.51 1ybm s THR 198 Ca 0.11 -1.18 0.05 0.00 -1.18 0.00 0.00 61.69 59.49 1ybm s THR 198 Cb 0.17 -2.50 0.64 0.00 1.34 0.00 0.00 72.50 72.16 1ybm s THR 198 CO 0.69 0.00 1.86 0.47 -0.54 0.00 0.00 174.62 177.09 1ybm n ASP 199 N -1.91 3.65 -2.53 3.99 8.00 -1.26 -4.44 116.55 122.04 1ybm n ASP 199 Ca 0.08 -3.64 -0.16 0.00 0.71 0.00 0.00 54.79 51.77 1ybm n ASP 199 Cb 0.62 -0.81 0.02 0.00 -0.02 0.00 0.00 41.12 40.92 1ybm n ASP 199 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ybm n THR 200 N -1.14 1.73 -1.67 -3.53 -2.24 -1.26 -4.91 114.28 101.26 1ybm n THR 200 Ca 0.56 -3.87 -0.13 0.00 -2.27 0.00 0.00 64.05 58.34 1ybm n THR 200 Cb 1.56 -0.19 0.12 0.00 -2.10 0.00 0.00 70.33 69.73 1ybm n THR 200 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1ybm n LYS 201 N -0.37 2.53 -3.83 -0.78 2.85 -1.26 -3.45 118.16 113.85 1ybm n LYS 201 Ca 0.24 -3.58 -0.10 0.00 -1.05 0.00 0.00 58.31 53.82 1ybm n LYS 201 Cb 0.78 -2.01 -0.08 0.00 -0.65 0.00 0.00 35.03 33.08 1ybm n LYS 201 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1ybm s THR 202 N -3.92 0.12 -0.22 0.58 -4.23 -1.26 -1.95 115.64 104.76 1ybm s THR 202 Ca 0.48 -0.98 -0.22 0.00 -1.18 0.00 0.00 61.69 59.79 1ybm s THR 202 Cb 0.41 -1.12 0.06 0.00 1.34 0.00 0.00 72.50 73.19 1ybm s THR 202 CO -0.00 -0.54 0.62 0.54 -0.54 0.00 0.00 174.62 174.70 1ybm s VAL 203 N -3.21 0.00 0.53 2.29 0.11 0.84 -1.62 120.40 119.34 1ybm s VAL 203 Ca -0.00 -0.01 -0.22 0.00 -2.93 0.00 0.00 61.98 58.82 1ybm s VAL 203 Cb 0.02 -0.87 -0.05 0.00 -1.53 0.00 0.00 36.38 33.94 1ybm s VAL 203 CO -0.07 -0.00 1.36 -2.84 -3.33 0.00 0.00 175.10 170.22 1ybm s PRO 204 N 0.21 3.24 0.32 1.54 0.02 -1.26 -0.93 135.00 138.14 1ybm s PRO 204 Ca -0.01 2.25 -0.00 0.00 0.02 0.00 0.00 61.00 63.26 1ybm s PRO 204 Cb -0.04 -2.32 0.53 0.00 0.02 0.00 0.00 34.50 32.68 1ybm s PRO 204 CO 0.01 -1.12 1.99 0.00 -0.33 0.00 0.00 177.00 177.55 1ybm h ARG 205 N 1.60 0.98 0.00 5.54 3.08 -1.14 -2.43 114.38 122.01 1ybm h ARG 205 Ca -0.51 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.41 1ybm h ARG 205 Cb 1.29 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1ybm h ARG 205 CO 0.58 0.65 -0.34 0.00 -1.07 0.00 0.00 179.97 179.78 1ybm h ALA 206 N 1.53 1.42 -0.01 0.04 0.00 -1.83 -1.10 119.26 119.31 1ybm h ALA 206 Ca 0.28 -0.31 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 1ybm h ALA 206 Cb -0.11 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ybm h ALA 206 CO -0.06 0.43 -0.94 -0.44 0.00 0.00 0.00 179.25 178.24 1ybm h ASP 207 N 0.00 0.63 0.21 0.00 3.32 -1.77 -1.54 116.42 117.28 1ybm h ASP 207 Ca -0.00 -0.49 0.01 0.00 0.02 0.00 0.00 57.03 56.56 1ybm h ASP 207 Cb 0.61 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1ybm h ASP 207 CO 0.04 1.28 -0.23 0.58 -1.72 0.00 0.00 179.24 179.20 1ybm h VAL 208 N 0.28 0.50 -0.76 -1.35 2.07 -1.26 0.23 116.25 115.96 1ybm h VAL 208 Ca -0.08 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.59 1ybm h VAL 208 Cb 1.57 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 31.73 1ybm h VAL 208 CO 0.17 0.00 0.25 0.00 0.02 0.00 0.00 177.57 178.01 1ybm h ALA 209 N 0.22 1.04 -0.45 1.67 0.00 -1.26 -1.31 119.26 119.18 1ybm h ALA 209 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1ybm h ALA 209 Cb 0.46 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ybm h ALA 209 CO -0.07 -0.28 0.11 1.49 0.00 0.00 0.00 179.25 180.50 1ybm h GLU 210 N 0.36 0.72 -0.44 0.00 4.57 -0.85 -2.54 114.58 116.40 1ybm h GLU 210 Ca 0.43 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 58.47 1ybm h GLU 210 Cb 0.71 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 1ybm h GLU 210 CO -0.46 0.71 0.29 0.28 -1.18 0.00 0.00 179.01 178.65 1ybm h VAL 211 N 0.59 1.04 -0.05 0.32 2.07 0.33 -0.36 116.25 120.20 1ybm h VAL 211 Ca 0.14 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1ybm h VAL 211 Cb 0.31 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1ybm h VAL 211 CO 0.00 0.09 0.02 0.00 0.02 0.00 0.00 177.57 177.70 1ybm h ILE 213 N -0.10 1.24 -0.66 0.00 2.04 -1.19 -3.07 117.51 115.77 1ybm h ILE 213 Ca 0.02 -0.82 -0.08 0.00 1.00 0.00 0.00 64.86 64.97 1ybm h ILE 213 Cb 0.19 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1ybm h ILE 213 CO -0.00 0.32 0.09 1.56 0.00 0.00 0.00 178.15 180.12 1ybm h GLN 214 N 0.88 1.10 -0.83 2.37 1.08 -0.98 -2.46 115.11 116.28 1ybm h GLN 214 Ca 0.20 -0.30 0.14 0.00 -1.45 0.00 0.00 58.65 57.24 1ybm h GLN 214 Cb 0.28 -0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 27.52 1ybm h GLN 214 CO -0.01 1.02 0.54 0.00 -0.95 0.00 0.00 178.83 179.43 1ybm h ALA 215 N 1.04 1.95 -0.70 3.87 0.00 -1.11 -0.02 119.26 124.30 1ybm h ALA 215 Ca 0.20 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1ybm h ALA 215 Cb 0.46 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1ybm h ALA 215 CO 0.02 -0.17 0.46 -0.07 0.00 0.00 0.00 179.25 179.48 1ybm h LEU 216 N 0.57 0.72 0.00 0.00 3.38 -1.35 -3.25 115.31 115.38 1ybm h LEU 216 Ca 0.41 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1ybm h LEU 216 Cb 0.77 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1ybm h LEU 216 CO -0.17 0.49 -0.52 -0.07 0.09 0.00 0.00 178.44 178.27 1ybm h LEU 217 N 0.83 0.00 -8.08 1.67 3.38 -0.97 -3.46 115.31 108.68 1ybm h LEU 217 Ca 0.28 -0.11 -0.64 0.00 0.09 0.00 0.00 57.88 57.50 1ybm h LEU 217 Cb 0.09 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.49 1ybm h LEU 217 CO -0.08 0.06 -0.85 -0.36 0.09 0.00 0.00 178.44 177.29 1ybm s PHE 218 N -3.20 2.41 0.55 1.13 0.08 -1.02 -4.99 117.98 112.95 1ybm s PHE 218 Ca 0.06 -1.25 0.24 0.00 0.12 0.00 0.00 56.93 56.10 1ybm s PHE 218 Cb 0.12 -1.69 1.50 0.00 -0.57 0.00 0.00 43.02 42.38 1ybm s PHE 218 CO 0.71 -0.61 2.11 0.93 -0.10 0.00 0.00 175.22 178.25 1ybm h GLU 219 N 7.54 0.00 0.00 0.44 4.39 -1.89 -2.16 114.58 122.90 1ybm h GLU 219 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1ybm h GLU 219 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1ybm h GLU 219 CO 0.54 0.00 0.00 0.39 -1.16 0.00 0.00 179.01 178.78 1ybm n GLU 220 N -4.17 0.15 0.11 2.33 4.71 -1.26 -2.28 120.64 120.24 1ybm n GLU 220 Ca 0.02 0.51 0.06 0.00 -0.01 0.00 0.00 57.16 57.74 1ybm n GLU 220 Cb 0.30 -1.86 0.02 0.00 -1.01 0.00 0.00 31.44 28.88 1ybm n GLU 220 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ybm h ALA 221 N 2.14 0.68 -2.88 0.62 0.00 -1.65 -3.42 119.26 114.75 1ybm h ALA 221 Ca 0.00 -0.33 -0.53 0.00 0.00 0.00 0.00 54.91 54.05 1ybm h ALA 221 Cb 0.17 0.06 0.09 0.00 0.00 0.00 0.00 17.79 18.12 1ybm h ALA 221 CO 0.00 0.39 0.59 0.15 0.00 0.00 0.00 179.25 180.38 1ybm s LYS 222 N -3.12 3.71 -1.45 0.00 1.02 -0.97 -3.09 119.74 115.83 1ybm s LYS 222 Ca 0.01 2.12 -0.10 0.00 0.02 0.00 0.00 55.97 58.02 1ybm s LYS 222 Cb 0.08 -2.56 0.06 0.00 -0.52 0.00 0.00 37.83 34.89 1ybm s LYS 222 CO 0.76 -0.70 0.76 0.09 -0.92 0.00 0.00 175.35 175.34 1ybm n ASN 223 N -0.30 -4.85 -4.41 2.83 3.02 0.23 -4.89 115.26 106.90 1ybm n ASN 223 Ca 0.06 -0.53 -0.30 0.00 -0.03 0.00 0.00 54.58 53.78 1ybm n ASN 223 Cb 0.45 -3.91 -0.13 0.00 -0.61 0.00 0.00 39.78 35.57 1ybm n ASN 223 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ybm s LYS 224 N -6.21 1.66 -0.06 3.52 -0.14 -1.11 -4.37 119.74 113.02 1ybm s LYS 224 Ca 0.50 -1.21 -0.00 0.00 -1.36 0.00 0.00 55.97 53.89 1ybm s LYS 224 Cb -0.25 -2.00 0.03 0.00 -1.68 0.00 0.00 37.83 33.93 1ybm s LYS 224 CO 0.62 0.48 -0.02 0.00 -0.76 0.00 0.00 175.35 175.67 1ybm s ALA 225 N -1.00 0.66 0.06 5.17 0.00 -0.87 -1.42 121.76 124.36 1ybm s ALA 225 Ca 0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 51.96 51.98 1ybm s ALA 225 Cb -0.10 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1ybm s ALA 225 CO 0.06 -0.26 0.08 -0.59 0.00 0.00 0.00 175.76 175.05 1ybm s PHE 226 N 1.49 0.32 0.06 0.00 -0.71 -0.92 -4.55 117.98 113.66 1ybm s PHE 226 Ca -0.02 -0.78 -0.13 0.00 -1.04 0.00 0.00 56.93 54.96 1ybm s PHE 226 Cb -0.13 -0.22 -0.06 0.00 -1.21 0.00 0.00 43.02 41.40 1ybm s PHE 226 CO -0.03 -0.44 0.45 -0.51 -1.34 0.00 0.00 175.22 173.35 1ybm s ASP 227 N -2.75 6.78 -0.19 1.98 1.01 0.10 -0.78 116.67 122.83 1ybm s ASP 227 Ca 0.04 0.96 0.00 0.00 0.71 0.00 0.00 52.55 54.25 1ybm s ASP 227 Cb 0.05 -2.24 0.01 0.00 1.01 0.00 0.00 42.92 41.75 1ybm s ASP 227 CO -0.09 0.23 -0.17 -0.22 0.21 0.00 0.00 175.17 175.13 1ybm s LEU 228 N -1.51 2.30 0.00 1.23 2.96 0.11 -0.09 118.68 123.69 1ybm s LEU 228 Ca 0.30 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1ybm s LEU 228 Cb -0.16 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 1ybm s LEU 228 CO 0.16 0.00 0.05 0.61 -1.32 0.00 0.00 176.35 175.85 1ybm n GLY 229 N 4.62 3.70 3.26 7.98 0.00 -0.27 0.46 105.19 124.93 1ybm n GLY 229 Ca -0.20 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.56 1ybm n GLY 229 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ybm s SER 230 N -2.53 -0.10 0.18 1.61 1.04 -0.64 -1.16 113.70 112.10 1ybm s SER 230 Ca 0.07 -0.32 -0.23 0.00 0.48 0.00 0.00 55.95 55.95 1ybm s SER 230 Cb 0.00 0.39 -0.08 0.00 0.10 0.00 0.00 66.02 66.43 1ybm s SER 230 CO 0.05 -0.71 0.75 -0.54 0.98 0.00 0.00 173.24 173.77 1ybm s LYS 231 N -3.18 4.44 0.53 4.02 1.02 0.76 -4.52 119.74 122.81 1ybm s LYS 231 Ca -0.01 1.04 -0.19 0.00 0.02 0.00 0.00 55.97 56.84 1ybm s LYS 231 Cb 0.01 -3.12 -0.10 0.00 -0.52 0.00 0.00 37.83 34.10 1ybm s LYS 231 CO -0.07 0.51 0.52 -2.30 -0.92 0.00 0.00 175.35 173.09 1ybm n PRO 232 N 1.30 0.54 -2.03 -1.68 -0.02 -1.26 -4.26 135.00 127.60 1ybm n PRO 232 Ca -0.05 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.22 1ybm n PRO 232 Cb 0.50 -1.65 -0.03 0.00 -0.02 0.00 0.00 33.50 32.30 1ybm n PRO 232 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1ybm s GLU 233 N -1.94 4.22 0.00 -0.52 2.12 -1.26 -2.40 118.70 118.92 1ybm s GLU 233 Ca 0.67 2.20 0.00 0.00 0.36 0.00 0.00 54.97 58.20 1ybm s GLU 233 Cb -0.48 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.27 1ybm s GLU 233 CO 0.56 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.98 1ybm n GLY 234 N 3.91 3.08 0.50 -1.50 0.00 -1.26 -4.92 105.19 105.00 1ybm n GLY 234 Ca 0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1ybm n GLY 234 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ybm n THR 235 N -1.68 0.36 -3.74 2.61 -2.24 -1.01 -4.98 114.28 103.60 1ybm n THR 235 Ca 0.00 -0.36 0.04 0.00 -2.27 0.00 0.00 64.05 61.45 1ybm n THR 235 Cb 0.00 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1ybm n THR 235 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ybm s SER 236 N -1.03 -0.01 0.08 3.42 0.15 -1.26 -5.00 113.70 110.05 1ybm s SER 236 Ca 0.19 -0.05 -0.30 0.00 0.70 0.00 0.00 55.95 56.49 1ybm s SER 236 Cb 0.10 0.04 -0.06 0.00 -1.71 0.00 0.00 66.02 64.40 1ybm s SER 236 CO 0.13 -0.08 1.15 -0.89 1.20 0.00 0.00 173.24 174.75 1ybm s THR 237 N -2.07 4.11 0.31 6.45 2.01 -1.26 -4.57 115.64 120.62 1ybm s THR 237 Ca 0.21 1.57 -0.28 0.00 0.31 0.00 0.00 61.69 63.50 1ybm s THR 237 Cb 0.04 -4.01 -0.13 0.00 0.01 0.00 0.00 72.50 68.42 1ybm s THR 237 CO -0.05 0.15 1.21 -2.65 -0.69 0.00 0.00 174.62 172.59 1ybm n PRO 238 N 3.58 1.84 -2.00 4.92 -0.02 -1.26 -3.64 135.00 138.43 1ybm n PRO 238 Ca 0.07 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 1ybm n PRO 238 Cb 0.47 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 1ybm n PRO 238 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ybm s THR 239 N -0.96 3.41 0.00 3.45 2.01 -0.48 -4.81 115.64 118.27 1ybm s THR 239 Ca 0.58 0.67 0.00 0.00 0.31 0.00 0.00 61.69 63.25 1ybm s THR 239 Cb -0.63 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 68.45 1ybm s THR 239 CO 0.60 -0.03 0.00 0.29 -0.69 0.00 0.00 174.62 174.79 1ybm n LYS 240 N 6.45 3.14 -3.79 4.92 5.02 -1.26 -4.96 118.16 127.68 1ybm n LYS 240 Ca 0.16 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.12 1ybm n LYS 240 Cb 0.42 -0.64 -0.11 0.00 -0.02 0.00 0.00 35.03 34.68 1ybm n LYS 240 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ybm s ASP 241 N -1.12 4.99 0.33 4.39 -1.08 -1.26 -4.95 116.67 117.98 1ybm s ASP 241 Ca 0.00 -3.07 0.25 0.00 -0.52 0.00 0.00 52.55 49.20 1ybm s ASP 241 Cb 0.00 -1.78 0.61 0.00 -1.46 0.00 0.00 42.92 40.29 1ybm s ASP 241 CO 0.00 -0.28 1.70 -0.26 0.52 0.00 0.00 175.17 176.85 1ybm h PHE 242 N 6.63 0.00 0.36 -5.34 0.04 -1.99 -3.07 116.94 113.57 1ybm h PHE 242 Ca -0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1ybm h PHE 242 Cb 0.90 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1ybm h PHE 242 CO 0.65 0.00 -0.26 -0.22 -0.60 0.00 0.00 178.31 177.89 1ybm h LYS 243 N 0.00 -0.59 -0.73 1.51 3.64 -1.97 -1.31 116.57 117.12 1ybm h LYS 243 Ca 0.00 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1ybm h LYS 243 Cb 0.84 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.75 1ybm h LYS 243 CO 0.00 -0.39 0.47 0.00 -2.27 0.00 0.00 179.45 177.25 1ybm h ALA 244 N -0.03 0.94 -0.09 5.00 0.00 -1.99 -2.13 119.26 120.97 1ybm h ALA 244 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ybm h ALA 244 Cb 0.52 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ybm h ALA 244 CO 0.01 0.27 0.06 1.25 0.00 0.00 0.00 179.25 180.84 1ybm h LEU 245 N 0.92 0.10 -1.24 0.00 5.85 -1.41 -2.44 115.31 117.10 1ybm h LEU 245 Ca 0.28 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 1ybm h LEU 245 Cb -0.02 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1ybm h LEU 245 CO -0.09 0.10 -0.37 -0.26 -0.34 0.00 0.00 178.44 177.47 1ybm h PHE 246 N 0.10 0.02 -0.22 1.25 0.04 -1.14 -3.13 116.94 113.86 1ybm h PHE 246 Ca 0.03 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 1ybm h PHE 246 Cb 0.01 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1ybm h PHE 246 CO -0.07 0.39 -0.12 0.77 -0.60 0.00 0.00 178.31 178.68 1ybm h SER 247 N 0.01 0.34 0.24 2.17 0.02 -0.89 -1.95 113.55 113.49 1ybm h SER 247 Ca -0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1ybm h SER 247 Cb 0.66 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1ybm h SER 247 CO 0.05 0.49 0.00 0.00 -1.14 0.00 0.00 176.83 176.23 1ybm n GLN 248 N -4.24 0.21 -3.53 3.45 6.02 -1.12 -4.67 117.38 113.50 1ybm n GLN 248 Ca -0.00 0.14 -0.38 0.00 -0.01 0.00 0.00 57.00 56.76 1ybm n GLN 248 Cb 0.29 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.99 1ybm n GLN 248 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ybm s VAL 249 N -2.53 5.15 0.00 5.09 1.01 -0.73 -4.94 120.40 123.46 1ybm s VAL 249 Ca 0.14 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1ybm s VAL 249 Cb 0.09 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1ybm s VAL 249 CO 0.21 0.53 0.00 0.35 0.00 0.00 0.00 175.10 176.18 1ybm n THR 250 N 2.33 0.00 -2.59 3.92 -2.24 -1.26 -5.06 114.28 109.38 1ybm n THR 250 Ca -0.14 -0.10 -0.37 0.00 -2.27 0.00 0.00 64.05 61.17 1ybm n THR 250 Cb 0.52 0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 69.37 1ybm n THR 250 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ybm s SER 251 N -0.49 6.89 -0.01 3.42 0.01 -1.26 -4.94 113.70 117.31 1ybm s SER 251 Ca 0.00 2.01 0.17 0.00 1.31 0.00 0.00 55.95 59.44 1ybm s SER 251 Cb 0.00 -2.59 -0.23 0.00 0.21 0.00 0.00 66.02 63.41 1ybm s SER 251 CO 0.00 -0.40 0.50 0.54 0.41 0.00 0.00 173.24 174.29 1ybm n ARG 252 N 0.09 0.88 0.00 12.44 5.12 -1.26 -2.06 116.66 131.87 1ybm n ARG 252 Ca 0.04 -0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1ybm n ARG 252 Cb 0.50 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.43 1ybm n ARG 252 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04