#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yak n PHE 3 N 0.00 0.00 -0.16 5.64 -0.00 -1.26 -3.83 117.46 117.85 1yak n PHE 3 Ca 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 57.45 57.73 1yak n PHE 3 Cb 0.00 -0.74 0.72 0.00 -0.00 0.00 0.00 39.48 39.46 1yak n PHE 3 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1yak h SER 4 N 0.00 0.00 0.26 -2.13 0.87 -1.94 0.36 113.55 110.98 1yak h SER 4 Ca -0.43 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 59.79 1yak h SER 4 Cb 1.69 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.63 1yak h SER 4 CO -0.06 0.00 -1.83 -0.33 -0.53 0.00 0.00 176.83 174.08 1yak h GLU 5 N 0.00 0.22 -0.97 2.24 4.39 -1.99 -3.07 114.58 115.40 1yak h GLU 5 Ca 0.41 -0.38 0.10 0.00 0.34 0.00 0.00 59.36 59.82 1yak h GLU 5 Cb 1.68 0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 30.39 1yak h GLU 5 CO -0.00 1.06 0.61 1.49 -1.16 0.00 0.00 179.01 181.01 1yak h GLU 6 N 0.06 1.00 -0.13 2.33 4.81 -1.06 0.31 114.58 121.90 1yak h GLU 6 Ca -0.36 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 58.69 1yak h GLU 6 Cb 2.04 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 31.20 1yak h GLU 6 CO 0.11 0.66 -0.40 0.00 -0.73 0.00 0.00 179.01 178.65 1yak h ARG 8 N 0.11 0.93 0.14 0.00 2.43 -1.23 0.24 114.38 117.01 1yak h ARG 8 Ca -0.01 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1yak h ARG 8 Cb 1.02 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1yak h ARG 8 CO 0.09 0.61 -0.08 1.03 -1.51 0.00 0.00 179.97 180.11 1yak h SER 9 N 0.95 -0.20 -1.01 -3.80 0.87 -0.28 -1.92 113.55 108.17 1yak h SER 9 Ca 0.37 0.01 0.29 0.00 -1.23 0.00 0.00 61.79 61.23 1yak h SER 9 Cb 0.22 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 1yak h SER 9 CO -0.14 -0.13 0.96 0.00 -0.53 0.00 0.00 176.83 176.99 1yak h ALA 10 N -1.83 2.87 -0.39 6.23 0.00 -0.46 2.13 119.26 127.82 1yak h ALA 10 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1yak h ALA 10 Cb 0.16 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1yak h ALA 10 CO 0.03 -1.48 0.00 0.00 0.00 0.00 0.00 179.25 177.80 1yak n ALA 11 N -2.46 2.44 -0.19 0.00 0.00 0.76 -4.63 120.51 116.43 1yak n ALA 11 Ca 0.22 -0.87 -0.05 0.00 0.00 0.00 0.00 53.44 52.74 1yak n ALA 11 Cb 1.28 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 19.73 1yak n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yak n ALA 12 N 1.08 -0.29 -0.35 0.00 0.00 0.72 -0.60 120.51 121.07 1yak n ALA 12 Ca 0.18 0.39 0.05 0.00 0.00 0.00 0.00 53.44 54.07 1yak n ALA 12 Cb 0.49 0.05 0.13 0.00 0.00 0.00 0.00 19.45 20.12 1yak n ALA 12 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1yak h GLU 13 N 0.00 0.00 0.00 0.00 4.81 -1.82 0.18 114.58 117.75 1yak h GLU 13 Ca 0.07 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 1yak h GLU 13 Cb 0.19 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1yak h GLU 13 CO -0.43 0.00 -0.52 -1.49 -0.73 0.00 0.00 179.01 175.84 1yak h TRP 14 N 0.00 0.00 0.03 0.92 6.55 -1.21 -2.13 115.95 120.12 1yak h TRP 14 Ca 0.46 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.30 1yak h TRP 14 Cb 0.71 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.01 1yak h TRP 14 CO -0.74 0.52 -0.02 -1.49 -1.05 0.00 0.00 178.44 175.66 1yak h TRP 15 N 0.00 -0.04 0.06 0.49 4.06 0.17 -2.72 115.95 117.97 1yak h TRP 15 Ca -0.01 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.96 1yak h TRP 15 Cb 1.39 0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 29.53 1yak h TRP 15 CO 0.00 0.64 -0.16 1.49 -3.56 0.00 0.00 178.44 176.85 1yak h GLU 16 N -0.85 -0.29 -0.84 0.49 4.57 -0.86 -1.44 114.58 115.36 1yak h GLU 16 Ca -0.00 0.02 0.22 0.00 -1.18 0.00 0.00 59.36 58.41 1yak h GLU 16 Cb 0.70 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.31 1yak h GLU 16 CO 0.01 -0.19 0.58 0.78 -1.18 0.00 0.00 179.01 179.01 1yak h GLY 17 N -0.30 0.40 0.74 1.92 0.00 -1.48 -1.63 103.07 102.73 1yak h GLY 17 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1yak h GLY 17 CO -0.11 -0.00 -0.04 1.76 0.00 0.00 0.00 176.54 178.15 1yak h SER 18 N 0.19 -0.09 -0.58 0.19 0.02 -0.93 -2.52 113.55 109.83 1yak h SER 18 Ca 0.42 -0.23 0.12 0.00 -0.84 0.00 0.00 61.79 61.26 1yak h SER 18 Cb 1.35 0.02 -0.10 0.00 0.14 0.00 0.00 62.40 63.82 1yak h SER 18 CO -0.08 0.18 -0.02 -0.26 -1.14 0.00 0.00 176.83 175.51 1yak h PHE 19 N -0.36 -0.08 -0.38 3.45 0.05 -1.07 -1.03 116.94 117.53 1yak h PHE 19 Ca -0.01 0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.82 1yak h PHE 19 Cb 0.31 0.13 0.00 0.00 2.00 0.00 0.00 35.95 38.38 1yak h PHE 19 CO 0.01 -0.17 0.00 1.33 -0.18 0.00 0.00 178.31 179.30 1yak n VAL 20 N -5.29 1.10 -2.33 -0.55 0.24 -1.17 -4.68 118.33 105.66 1yak n VAL 20 Ca 0.08 -0.69 -0.41 0.00 -2.04 0.00 0.00 64.34 61.27 1yak n VAL 20 Cb 0.33 -0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 32.61 1yak n VAL 20 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1yak s HIS 21 N -1.74 3.37 0.52 6.34 5.04 -0.39 -4.85 115.29 123.58 1yak s HIS 21 Ca 0.30 1.32 0.38 0.00 -1.54 0.00 0.00 55.06 55.52 1yak s HIS 21 Cb 0.20 -3.49 1.55 0.00 0.04 0.00 0.00 32.58 30.88 1yak s HIS 21 CO 0.14 -1.47 1.69 -1.35 -2.34 0.00 0.00 174.74 171.41 1yak h PRO 22 N 5.66 0.05 0.12 2.88 0.11 -1.89 0.22 132.00 139.14 1yak h PRO 22 Ca -0.44 -0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.37 1yak h PRO 22 Cb 1.21 -0.01 0.03 0.00 0.11 0.00 0.00 31.00 32.34 1yak h PRO 22 CO 0.77 0.03 -1.24 0.35 -0.21 0.00 0.00 178.00 177.71 1yak h PHE 23 N 0.05 0.95 -0.35 0.65 3.57 -1.91 -1.70 116.94 118.20 1yak h PHE 23 Ca 0.74 -0.60 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 1yak h PHE 23 Cb 2.76 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 41.41 1yak h PHE 23 CO -0.00 1.44 -0.29 0.28 -2.23 0.00 0.00 178.31 177.52 1yak h VAL 24 N 0.26 1.28 0.68 1.41 2.07 -0.99 -3.01 116.25 117.94 1yak h VAL 24 Ca -0.18 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 65.89 1yak h VAL 24 Cb 1.91 1.31 0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1yak h VAL 24 CO 0.23 0.47 -0.32 1.56 0.02 0.00 0.00 177.57 179.53 1yak h GLN 25 N 0.64 -0.87 0.00 1.57 1.08 -0.89 -0.32 115.11 116.32 1yak h GLN 25 Ca 0.08 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1yak h GLN 25 Cb 0.81 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 1yak h GLN 25 CO 0.07 -0.58 0.32 0.41 -0.95 0.00 0.00 178.83 178.10 1yak n GLY 26 N -1.44 -0.56 0.09 3.46 0.00 -0.64 0.83 105.19 106.91 1yak n GLY 26 Ca -0.14 0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 1yak n GLY 26 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yak n ILE 27 N -1.96 1.23 0.26 -0.61 5.41 -0.81 -0.68 119.36 122.20 1yak n ILE 27 Ca -0.01 -0.78 0.14 0.00 1.00 0.00 0.00 62.75 63.11 1yak n ILE 27 Cb 0.33 -0.48 0.40 0.00 -0.71 0.00 0.00 39.64 39.18 1yak n ILE 27 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1yak h GLY 28 N 3.69 0.00 -0.03 7.39 0.00 0.22 -3.19 103.07 111.14 1yak h GLY 28 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1yak h GLY 28 CO 0.03 0.00 -0.02 2.09 0.00 0.00 0.00 176.54 178.64 1yak n ASP 29 N -3.05 2.02 0.00 0.19 5.68 -0.12 -4.02 116.55 117.25 1yak n ASP 29 Ca 0.03 -2.46 0.00 0.00 -0.50 0.00 0.00 54.79 51.86 1yak n ASP 29 Cb 0.43 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1yak n ASP 29 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yak n GLY 30 N -0.89 0.00 1.78 6.12 0.00 -1.18 -4.74 105.19 106.28 1yak n GLY 30 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1yak n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yak n THR 31 N -1.42 2.44 -3.04 2.61 -2.24 -1.01 -4.81 114.28 106.81 1yak n THR 31 Ca 0.00 -1.29 -0.40 0.00 -2.27 0.00 0.00 64.05 60.09 1yak n THR 31 Cb 0.17 -0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 67.85 1yak n THR 31 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1yak s LEU 32 N -2.32 4.27 0.72 3.22 2.96 0.15 -4.88 118.68 122.80 1yak s LEU 32 Ca 0.42 1.12 -0.17 0.00 -0.22 0.00 0.00 54.13 55.29 1yak s LEU 32 Cb 0.34 -3.06 -0.07 0.00 0.50 0.00 0.00 46.19 43.90 1yak s LEU 32 CO 0.10 -0.17 0.23 -2.65 -1.32 0.00 0.00 176.35 172.54 1yak n PRO 33 N 4.16 0.19 0.07 0.98 -0.02 -1.26 -4.89 135.00 134.23 1yak n PRO 33 Ca -0.01 0.09 -0.16 0.00 -2.02 0.00 0.00 63.50 61.41 1yak n PRO 33 Cb 0.51 -1.56 -0.14 0.00 -0.02 0.00 0.00 33.50 32.29 1yak n PRO 33 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1yak h ILE 34 N -0.40 1.29 0.00 4.25 6.09 -1.98 -3.29 117.51 123.48 1yak h ILE 34 Ca -0.44 -2.92 -0.00 0.00 -1.37 0.00 0.00 64.86 60.12 1yak h ILE 34 Cb 1.36 2.82 -0.00 0.00 0.47 0.00 0.00 36.82 41.47 1yak h ILE 34 CO 0.40 0.84 -0.00 -2.24 -3.07 0.00 0.00 178.15 174.08 1yak h ASP 35 N 0.06 0.00 0.68 2.19 -0.00 -2.00 -2.06 116.42 115.30 1yak h ASP 35 Ca -0.19 0.00 -0.26 0.00 -0.00 0.00 0.00 57.03 56.57 1yak h ASP 35 Cb 1.99 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 41.29 1yak h ASP 35 CO 0.17 0.00 -1.37 0.03 -0.00 0.00 0.00 179.24 178.08 1yak h ARG 36 N 0.00 0.08 0.00 4.15 3.08 -1.88 -2.59 114.38 117.22 1yak h ARG 36 Ca -0.00 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 1yak h ARG 36 Cb 0.10 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1yak h ARG 36 CO 0.00 0.90 -0.51 0.35 -1.07 0.00 0.00 179.97 179.63 1yak h PHE 37 N 0.02 0.00 -0.15 3.04 3.04 -1.48 -2.65 116.94 118.76 1yak h PHE 37 Ca -0.16 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.69 1yak h PHE 37 Cb 1.92 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.43 1yak h PHE 37 CO 0.02 0.51 -0.30 -0.22 -2.02 0.00 0.00 178.31 176.31 1yak h LYS 38 N 0.00 0.47 -0.46 1.11 3.64 -1.43 -1.39 116.57 118.52 1yak h LYS 38 Ca -0.01 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1yak h LYS 38 Cb 1.25 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 1yak h LYS 38 CO 0.07 0.91 0.15 -0.92 -2.27 0.00 0.00 179.45 177.39 1yak h TYR 39 N 0.09 0.66 0.77 1.91 5.03 -1.45 -2.91 116.97 121.07 1yak h TYR 39 Ca 0.01 -0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.24 1yak h TYR 39 Cb 0.89 -0.20 0.01 0.00 1.55 0.00 0.00 36.73 38.97 1yak h TYR 39 CO 0.10 0.54 -0.37 -0.92 -1.32 0.00 0.00 178.16 176.19 1yak h TYR 40 N 0.65 -0.96 -0.97 -3.82 3.20 -1.34 -2.27 116.97 111.47 1yak h TYR 40 Ca 0.15 -0.02 0.25 0.00 3.14 0.00 0.00 58.73 62.26 1yak h TYR 40 Cb 0.18 0.32 -0.18 0.00 1.54 0.00 0.00 36.73 38.58 1yak h TYR 40 CO 0.01 -0.58 -0.01 0.28 -1.64 0.00 0.00 178.16 176.21 1yak h VAL 41 N -1.20 0.04 -0.02 1.81 2.07 -1.06 0.29 116.25 118.18 1yak h VAL 41 Ca -0.11 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1yak h VAL 41 Cb 0.81 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1yak h VAL 41 CO 0.17 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.70 1yak h LEU 42 N 0.02 0.03 0.08 2.57 3.38 -1.50 -1.45 115.31 118.43 1yak h LEU 42 Ca 0.57 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 58.25 1yak h LEU 42 Cb 1.12 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1yak h LEU 42 CO -0.92 0.33 -0.20 1.56 0.09 0.00 0.00 178.44 179.30 1yak h GLN 43 N -0.27 -0.35 0.00 1.13 1.08 -0.06 -1.37 115.11 115.27 1yak h GLN 43 Ca 0.00 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1yak h GLN 43 Cb 0.31 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1yak h GLN 43 CO 0.00 -0.24 -0.02 0.22 -0.95 0.00 0.00 178.83 177.84 1yak h ASP 44 N -0.37 0.00 0.11 1.46 3.58 -0.60 0.08 116.42 120.68 1yak h ASP 44 Ca 0.03 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1yak h ASP 44 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1yak h ASP 44 CO -0.13 0.02 -0.05 -1.28 -2.88 0.00 0.00 179.24 174.92 1yak h SER 45 N 0.00 -0.13 -0.81 2.28 0.87 -0.17 0.51 113.55 116.10 1yak h SER 45 Ca -0.00 -0.30 0.10 0.00 -1.23 0.00 0.00 61.79 60.37 1yak h SER 45 Cb 0.07 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 61.99 1yak h SER 45 CO 0.00 0.24 0.45 0.22 -0.53 0.00 0.00 176.83 177.22 1yak h TYR 46 N -0.52 0.82 0.46 2.24 3.20 -0.62 -1.95 116.97 120.60 1yak h TYR 46 Ca -0.02 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1yak h TYR 46 Cb 0.42 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1yak h TYR 46 CO 0.04 0.31 -0.49 -0.92 -1.64 0.00 0.00 178.16 175.47 1yak h TYR 47 N 0.75 -1.35 -0.72 -3.82 3.20 -0.64 -2.86 116.97 111.53 1yak h TYR 47 Ca 0.40 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.38 1yak h TYR 47 Cb 0.40 0.53 -0.05 0.00 1.54 0.00 0.00 36.73 39.15 1yak h TYR 47 CO -0.07 -0.65 0.47 -0.07 -1.64 0.00 0.00 178.16 176.21 1yak h LEU 48 N -0.96 0.53 -0.65 2.82 3.38 -0.41 0.05 115.31 120.06 1yak h LEU 48 Ca -0.05 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1yak h LEU 48 Cb 0.84 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1yak h LEU 48 CO -0.08 0.31 0.42 0.74 0.09 0.00 0.00 178.44 179.92 1yak h THR 49 N 0.58 1.15 0.00 0.22 2.02 -1.15 -0.26 112.91 115.47 1yak h THR 49 Ca 0.33 -0.29 -0.13 0.00 0.77 0.00 0.00 66.41 67.09 1yak h THR 49 Cb 0.52 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1yak h THR 49 CO -0.11 0.16 -0.71 0.45 0.37 0.00 0.00 175.52 175.67 1yak h HIS 50 N 0.85 0.00 -0.49 3.16 3.86 -1.17 -3.04 115.15 118.33 1yak h HIS 50 Ca 0.24 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 1yak h HIS 50 Cb -0.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 1yak h HIS 50 CO -0.03 0.59 0.23 0.35 0.86 0.00 0.00 177.93 179.92 1yak h PHE 51 N 0.00 0.71 -0.96 2.45 3.57 -0.60 -1.20 116.94 120.92 1yak h PHE 51 Ca -0.03 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1yak h PHE 51 Cb 1.48 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 1yak h PHE 51 CO 0.00 0.57 0.59 0.00 -2.23 0.00 0.00 178.31 177.24 1yak h ALA 52 N 1.07 1.22 -0.23 2.41 0.00 -1.02 -1.43 119.26 121.27 1yak h ALA 52 Ca 0.17 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1yak h ALA 52 Cb 0.13 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1yak h ALA 52 CO -0.02 0.66 -0.33 0.87 0.00 0.00 0.00 179.25 180.43 1yak h LYS 53 N 1.32 0.49 0.00 0.00 1.57 -1.35 -0.78 116.57 117.82 1yak h LYS 53 Ca 0.34 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1yak h LYS 53 Cb -0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1yak h LYS 53 CO -0.07 0.76 -0.17 0.28 -0.57 0.00 0.00 179.45 179.68 1yak h VAL 54 N 0.42 0.35 -0.09 0.50 2.07 -0.84 -0.95 116.25 117.72 1yak h VAL 54 Ca 0.05 -1.19 -0.20 0.00 0.82 0.00 0.00 66.70 66.18 1yak h VAL 54 Cb 0.78 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1yak h VAL 54 CO 0.06 0.17 -0.78 1.56 0.02 0.00 0.00 177.57 178.60 1yak h GLN 55 N 0.00 0.53 -0.40 1.57 4.20 -0.62 -0.47 115.11 119.92 1yak h GLN 55 Ca -0.00 -0.45 -0.07 0.00 0.06 0.00 0.00 58.65 58.18 1yak h GLN 55 Cb 0.90 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1yak h GLN 55 CO 0.02 1.08 -0.02 0.77 -0.67 0.00 0.00 178.83 180.02 1yak h SER 56 N 0.36 0.72 -0.85 1.46 0.02 -0.70 -1.40 113.55 113.15 1yak h SER 56 Ca -0.05 -0.32 0.06 0.00 -0.84 0.00 0.00 61.79 60.64 1yak h SER 56 Cb 1.38 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 63.67 1yak h SER 56 CO 0.14 0.86 0.53 -0.26 -1.14 0.00 0.00 176.83 176.97 1yak h PHE 57 N 0.55 0.99 -0.38 3.45 0.04 -1.08 -0.02 116.94 120.49 1yak h PHE 57 Ca 0.11 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.93 1yak h PHE 57 Cb 0.51 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 1yak h PHE 57 CO 0.04 0.52 0.22 0.78 -0.60 0.00 0.00 178.31 179.26 1yak h GLY 58 N 0.99 0.53 0.97 -1.45 0.00 -0.57 -2.21 103.07 101.33 1yak h GLY 58 Ca 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1yak h GLY 58 CO -0.16 0.14 -0.10 0.00 0.00 0.00 0.00 176.54 176.42 1yak h ALA 59 N 1.17 -0.26 -0.15 3.60 0.00 -0.47 -1.39 119.26 121.76 1yak h ALA 59 Ca 0.15 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1yak h ALA 59 Cb 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1yak h ALA 59 CO -0.08 -0.65 0.51 0.00 0.00 0.00 0.00 179.25 179.03 1yak h ALA 60 N 0.54 1.71 -0.02 0.00 0.00 -0.65 0.45 119.26 121.29 1yak h ALA 60 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1yak h ALA 60 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1yak h ALA 60 CO 0.03 -0.59 -0.18 0.66 0.00 0.00 0.00 179.25 179.18 1yak n TYR 61 N -3.04 0.00 -1.46 0.00 4.01 -0.62 -5.02 117.16 111.03 1yak n TYR 61 Ca 0.02 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.39 1yak n TYR 61 Cb 0.59 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.68 1yak n TYR 61 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1yak n ALA 62 N 0.49 -0.72 1.17 -0.72 0.00 0.16 -4.53 120.51 116.35 1yak n ALA 62 Ca 0.09 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1yak n ALA 62 Cb 0.41 -1.95 0.64 0.00 0.00 0.00 0.00 19.45 18.55 1yak n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1yak n LYS 63 N -0.72 0.29 -3.70 0.00 4.76 -1.26 -4.87 118.16 112.66 1yak n LYS 63 Ca 0.12 0.04 -0.05 0.00 -2.87 0.00 0.00 58.31 55.56 1yak n LYS 63 Cb 0.48 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.16 1yak n LYS 63 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1yak s ASP 64 N -2.67 -0.22 0.40 4.39 -4.77 -1.26 -5.03 116.67 107.52 1yak s ASP 64 Ca 0.22 -0.32 0.11 0.00 -3.30 0.00 0.00 52.55 49.27 1yak s ASP 64 Cb 0.18 0.47 0.92 0.00 -1.09 0.00 0.00 42.92 43.40 1yak s ASP 64 CO 0.42 -0.84 1.96 0.25 0.70 0.00 0.00 175.17 177.65 1yak h LEU 65 N 2.00 0.49 -0.16 2.11 5.85 -1.99 -1.67 115.31 121.94 1yak h LEU 65 Ca -0.24 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1yak h LEU 65 Cb 1.23 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1yak h LEU 65 CO 0.27 0.29 -0.02 0.22 -0.34 0.00 0.00 178.44 178.86 1yak h TYR 66 N 0.54 0.34 -0.46 1.25 5.03 -2.00 -2.72 116.97 118.96 1yak h TYR 66 Ca 0.31 -0.07 -0.07 0.00 2.58 0.00 0.00 58.73 61.49 1yak h TYR 66 Cb 0.50 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 1yak h TYR 66 CO -0.00 0.56 0.03 1.15 -1.32 0.00 0.00 178.16 178.57 1yak h THR 67 N 0.03 1.26 -0.70 1.81 2.02 -1.85 -1.81 112.91 113.66 1yak h THR 67 Ca 0.04 -1.00 0.14 0.00 0.77 0.00 0.00 66.41 66.37 1yak h THR 67 Cb 0.44 1.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.75 1yak h THR 67 CO 0.01 0.35 0.18 0.74 0.37 0.00 0.00 175.52 177.17 1yak h THR 68 N 0.64 0.57 -0.43 3.16 2.02 -1.32 0.16 112.91 117.71 1yak h THR 68 Ca 0.13 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 1yak h THR 68 Cb 0.46 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1yak h THR 68 CO 0.02 0.05 0.08 1.23 0.37 0.00 0.00 175.52 177.27 1yak h GLY 69 N 0.29 0.77 0.44 2.16 0.00 -1.23 0.54 103.07 106.03 1yak h GLY 69 Ca 0.39 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1yak h GLY 69 CO -0.47 0.46 -0.33 3.21 0.00 0.00 0.00 176.54 179.42 1yak h ARG 70 N 0.58 -0.71 -0.91 4.80 2.47 -0.13 0.24 114.38 120.71 1yak h ARG 70 Ca 0.13 0.05 0.19 0.00 -1.26 0.00 0.00 59.98 59.09 1yak h ARG 70 Cb 0.36 0.16 -0.07 0.00 -1.65 0.00 0.00 29.97 28.77 1yak h ARG 70 CO 0.01 -0.48 0.59 0.52 0.56 0.00 0.00 179.97 181.17 1yak h MET 71 N -0.74 0.48 -0.41 0.04 2.86 -0.80 -0.42 114.93 115.95 1yak h MET 71 Ca -0.06 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1yak h MET 71 Cb 0.61 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1yak h MET 71 CO 0.02 0.32 0.01 0.00 1.06 0.00 0.00 176.91 178.32 1yak h ALA 72 N 1.61 0.55 -0.75 6.32 0.00 -0.28 -1.89 119.26 124.82 1yak h ALA 72 Ca 0.48 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1yak h ALA 72 Cb 1.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1yak h ALA 72 CO -0.21 0.32 0.23 0.66 0.00 0.00 0.00 179.25 180.25 1yak h SER 73 N 0.54 1.10 -0.56 0.00 4.64 0.11 -1.55 113.55 117.83 1yak h SER 73 Ca 0.12 -0.21 0.04 0.00 -0.47 0.00 0.00 61.79 61.27 1yak h SER 73 Cb 0.46 -0.29 -0.04 0.00 -0.31 0.00 0.00 62.40 62.22 1yak h SER 73 CO 0.02 1.02 0.31 0.45 -0.87 0.00 0.00 176.83 177.76 1yak h HIS 74 N 1.12 0.57 -0.71 4.77 3.86 -1.12 0.35 115.15 124.00 1yak h HIS 74 Ca 0.24 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.53 1yak h HIS 74 Cb 0.32 -0.18 -0.06 0.00 1.06 0.00 0.00 27.41 28.55 1yak h HIS 74 CO 0.03 0.30 0.41 0.00 0.86 0.00 0.00 177.93 179.53 1yak h ALA 75 N 1.28 0.96 -0.54 2.45 0.00 -0.90 0.48 119.26 122.98 1yak h ALA 75 Ca 0.24 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1yak h ALA 75 Cb 0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1yak h ALA 75 CO -0.14 0.11 0.36 0.37 0.00 0.00 0.00 179.25 179.95 1yak h GLN 76 N 0.76 0.59 0.01 0.00 4.15 -0.03 -2.09 115.11 118.50 1yak h GLN 76 Ca 0.31 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.70 1yak h GLN 76 Cb 0.17 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1yak h GLN 76 CO -0.17 0.39 -0.00 0.78 -1.93 0.00 0.00 178.83 177.89 1yak h GLY 77 N 0.61 -0.01 0.30 2.39 0.00 0.37 -2.61 103.07 104.12 1yak h GLY 77 Ca 0.22 0.01 0.24 0.00 0.00 0.00 0.00 47.33 47.80 1yak h GLY 77 CO -0.06 -0.01 0.61 -0.84 0.00 0.00 0.00 176.54 176.25 1yak h THR 78 N -0.41 0.58 0.00 4.70 2.02 0.03 0.89 112.91 120.72 1yak h THR 78 Ca -0.00 -0.01 -0.16 0.00 0.77 0.00 0.00 66.41 67.01 1yak h THR 78 Cb 0.40 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1yak h THR 78 CO 0.00 0.00 -0.76 0.22 0.37 0.00 0.00 175.52 175.36 1yak h TYR 79 N 0.02 0.00 0.37 3.16 3.20 -1.24 -3.09 116.97 119.39 1yak h TYR 79 Ca 0.41 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.26 1yak h TYR 79 Cb 1.60 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.87 1yak h TYR 79 CO -0.00 0.76 -0.18 0.93 -1.64 0.00 0.00 178.16 178.03 1yak h GLU 80 N 0.00 -0.48 0.00 1.82 4.39 0.11 -2.45 114.58 117.97 1yak h GLU 80 Ca -0.01 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1yak h GLU 80 Cb 1.43 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 1yak h GLU 80 CO 0.10 -0.18 0.00 0.00 -1.16 0.00 0.00 179.01 177.77 1yak n ALA 81 N -2.63 0.00 -0.47 3.43 0.00 -0.04 0.60 120.51 121.40 1yak n ALA 81 Ca -0.08 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.76 1yak n ALA 81 Cb 0.26 0.30 0.73 0.00 0.00 0.00 0.00 19.45 20.74 1yak n ALA 81 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1yak h GLU 82 N 0.00 0.05 0.00 0.00 4.81 -1.67 0.28 114.58 118.06 1yak h GLU 82 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1yak h GLU 82 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1yak h GLU 82 CO 0.00 0.04 0.00 -1.33 -0.73 0.00 0.00 179.01 176.99 1yak n MET 83 N -4.25 0.00 -0.18 1.92 2.81 0.20 -3.22 117.12 114.40 1yak n MET 83 Ca 0.34 0.31 -0.01 0.00 -1.81 0.00 0.00 57.70 56.53 1yak n MET 83 Cb 1.49 -1.01 0.07 0.00 -0.71 0.00 0.00 33.22 33.07 1yak n MET 83 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1yak h ALA 84 N -2.00 0.51 0.00 3.04 0.00 0.60 0.20 119.26 121.60 1yak h ALA 84 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1yak h ALA 84 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1yak h ALA 84 CO 0.00 -0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.14 1yak n LEU 85 N -5.27 1.02 -0.05 0.00 4.77 0.94 -3.50 117.00 114.91 1yak n LEU 85 Ca 0.07 -0.51 -0.06 0.00 -0.03 0.00 0.00 56.01 55.48 1yak n LEU 85 Cb 0.30 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1yak n LEU 85 CO 0.13 0.22 -0.44 1.57 -1.33 0.00 0.00 177.39 177.55 1yak n HIS 86 N 0.21 0.00 -0.38 -1.77 -0.00 0.69 -3.95 115.22 110.02 1yak n HIS 86 Ca 0.00 0.00 0.30 0.00 0.46 0.00 0.00 57.72 58.48 1yak n HIS 86 Cb 0.22 -0.32 0.57 0.00 -0.12 0.00 0.00 29.99 30.34 1yak n HIS 86 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1yak h ARG 87 N -0.64 0.21 0.00 1.57 2.43 -1.61 0.54 114.38 116.88 1yak h ARG 87 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1yak h ARG 87 Cb 0.64 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1yak h ARG 87 CO 0.00 0.14 0.00 -1.91 -1.51 0.00 0.00 179.97 176.69 1yak n GLU 88 N -4.77 0.00 -0.03 0.20 4.07 -1.25 -3.65 120.64 115.21 1yak n GLU 88 Ca 0.33 0.32 0.06 0.00 -0.06 0.00 0.00 57.16 57.81 1yak n GLU 88 Cb 1.19 -1.24 0.31 0.00 -0.06 0.00 0.00 31.44 31.64 1yak n GLU 88 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1yak n PHE 89 N -1.46 0.08 -0.04 4.31 3.01 -0.81 -3.53 117.46 119.02 1yak n PHE 89 Ca 0.00 -0.04 -0.14 0.00 1.01 0.00 0.00 57.45 58.28 1yak n PHE 89 Cb 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.33 1yak n PHE 89 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yak n ALA 90 N -0.41 1.29 0.01 4.37 0.00 0.18 -3.97 120.51 121.98 1yak n ALA 90 Ca 0.10 -0.84 -0.02 0.00 0.00 0.00 0.00 53.44 52.68 1yak n ALA 90 Cb 0.10 -0.59 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 1yak n ALA 90 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1yak h GLU 91 N 0.02 -0.11 -0.62 0.00 4.11 -1.63 -3.29 114.58 113.07 1yak h GLU 91 Ca -0.41 0.01 0.18 0.00 0.07 0.00 0.00 59.36 59.20 1yak h GLU 91 Cb 2.04 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.29 1yak h GLU 91 CO 0.05 -0.07 0.89 -0.07 0.07 0.00 0.00 179.01 179.88 1yak h LEU 92 N -0.86 0.00 -9.37 3.06 3.38 -1.79 -3.37 115.31 106.36 1yak h LEU 92 Ca -0.01 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.31 1yak h LEU 92 Cb 0.09 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.72 1yak h LEU 92 CO 0.02 0.00 -0.53 -0.76 0.09 0.00 0.00 178.44 177.26 1yak s LEU 93 N -6.45 4.06 0.00 1.67 1.43 -1.24 -4.97 118.68 113.18 1yak s LEU 93 Ca -0.03 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1yak s LEU 93 Cb 0.12 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1yak s LEU 93 CO 0.40 0.31 0.51 -0.62 0.23 0.00 0.00 176.35 177.18 1yak n GLU 94 N 2.66 0.26 -2.31 1.70 -0.58 -1.26 -4.80 120.64 116.31 1yak n GLU 94 Ca -0.18 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.13 1yak n GLU 94 Cb 0.54 -1.37 -0.02 0.00 -0.57 0.00 0.00 31.44 30.01 1yak n GLU 94 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1yak s ILE 95 N 1.41 3.82 0.40 -3.67 1.01 -1.26 -4.99 121.20 117.93 1yak s ILE 95 Ca 0.00 0.81 0.06 0.00 0.00 0.00 0.00 60.65 61.52 1yak s ILE 95 Cb 0.00 -4.18 0.06 0.00 0.01 0.00 0.00 42.46 38.35 1yak s ILE 95 CO 0.00 -0.80 0.48 -1.54 0.00 0.00 0.00 174.94 173.08 1yak n SER 96 N 9.22 1.70 0.00 3.58 3.41 -1.26 -4.97 113.62 125.30 1yak n SER 96 Ca 0.17 -2.15 0.11 0.00 -0.26 0.00 0.00 58.87 56.74 1yak n SER 96 Cb 0.48 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.20 1yak n SER 96 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1yak n GLU 97 N -1.74 0.09 0.00 4.33 4.07 -1.26 -2.69 120.64 123.44 1yak n GLU 97 Ca 0.08 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1yak n GLU 97 Cb 0.42 -1.52 0.00 0.00 -0.06 0.00 0.00 31.44 30.29 1yak n GLU 97 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1yak n GLU 98 N -1.63 1.00 0.05 5.31 -0.58 -1.26 -2.30 120.64 121.23 1yak n GLU 98 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1yak n GLU 98 Cb 0.36 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 1yak n GLU 98 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1yak n GLU 99 N 0.13 0.00 -0.24 3.49 1.02 -1.23 -4.79 120.64 119.02 1yak n GLU 99 Ca 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.30 1yak n GLU 99 Cb 0.31 0.00 0.47 0.00 -0.02 0.00 0.00 31.44 32.20 1yak n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yak h ARG 100 N 0.00 0.48 -0.69 3.49 3.08 -1.50 0.47 114.38 119.71 1yak h ARG 100 Ca 0.00 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1yak h ARG 100 Cb 0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1yak h ARG 100 CO 0.00 0.32 0.14 0.87 -1.07 0.00 0.00 179.97 180.22 1yak h LYS 101 N 0.49 1.12 -0.00 0.04 1.79 -1.76 -2.53 116.57 115.72 1yak h LYS 101 Ca 0.45 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1yak h LYS 101 Cb 0.98 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1yak h LYS 101 CO -0.18 1.00 -0.13 0.00 -1.08 0.00 0.00 179.45 179.07 1yak n ALA 102 N -2.46 2.71 -1.67 3.86 0.00 0.12 -4.94 120.51 118.14 1yak n ALA 102 Ca 0.05 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 1yak n ALA 102 Cb 0.28 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.37 1yak n ALA 102 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1yak n PHE 103 N -1.29 1.77 -3.72 0.00 -0.00 0.12 -5.03 117.46 109.31 1yak n PHE 103 Ca 0.10 0.53 -0.12 0.00 -0.00 0.00 0.00 57.45 57.96 1yak n PHE 103 Cb 0.30 -2.32 -0.13 0.00 -0.00 0.00 0.00 39.48 37.33 1yak n PHE 103 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1yak s LYS 104 N -2.12 0.20 0.58 -4.13 -0.14 -1.26 -5.05 119.74 107.81 1yak s LYS 104 Ca 0.62 0.54 -0.20 0.00 -1.36 0.00 0.00 55.97 55.57 1yak s LYS 104 Cb -0.53 -0.12 -0.04 0.00 -1.68 0.00 0.00 37.83 35.46 1yak s LYS 104 CO 0.57 -0.17 1.26 -1.25 -0.76 0.00 0.00 175.35 175.01 1yak s PRO 105 N 1.32 2.99 0.58 -1.68 0.04 -1.26 -4.99 135.00 132.01 1yak s PRO 105 Ca -0.09 1.98 -0.07 0.00 0.04 0.00 0.00 61.00 62.86 1yak s PRO 105 Cb -0.11 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 1yak s PRO 105 CO -0.08 -1.23 0.91 -1.54 0.04 0.00 0.00 177.00 175.10 1yak s SER 106 N -1.37 5.78 0.14 6.66 1.04 -1.26 -4.83 113.70 119.86 1yak s SER 106 Ca 0.76 0.88 -0.32 0.00 0.48 0.00 0.00 55.95 57.75 1yak s SER 106 Cb -0.34 -1.93 -0.10 0.00 0.10 0.00 0.00 66.02 63.75 1yak s SER 106 CO 0.38 -0.97 1.54 -0.65 0.98 0.00 0.00 173.24 174.52 1yak h PRO 107 N -0.16 -0.26 -0.11 4.02 0.11 -1.88 0.53 132.00 134.25 1yak h PRO 107 Ca -0.46 0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.70 1yak h PRO 107 Cb 1.24 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.38 1yak h PRO 107 CO 0.61 -0.17 -0.06 1.15 -0.21 0.00 0.00 178.00 179.32 1yak h THR 108 N -0.27 0.81 -0.65 -1.15 2.02 -1.95 0.62 112.91 112.34 1yak h THR 108 Ca 0.10 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.36 1yak h THR 108 Cb 0.53 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 1yak h THR 108 CO -0.70 0.00 0.31 0.00 0.37 0.00 0.00 175.52 175.50 1yak h ALA 109 N 1.05 0.87 0.27 6.16 0.00 -1.82 -0.63 119.26 125.15 1yak h ALA 109 Ca 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1yak h ALA 109 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1yak h ALA 109 CO -0.15 -0.07 -0.13 -0.92 0.00 0.00 0.00 179.25 177.98 1yak h TYR 110 N 0.56 -0.34 -0.38 0.00 3.20 -0.42 -1.69 116.97 117.90 1yak h TYR 110 Ca 0.31 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.23 1yak h TYR 110 Cb 0.30 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 1yak h TYR 110 CO -0.12 -0.16 0.08 0.77 -1.64 0.00 0.00 178.16 177.09 1yak h SER 111 N -0.43 0.01 0.30 -2.11 0.02 -0.50 0.12 113.55 110.96 1yak h SER 111 Ca -0.04 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1yak h SER 111 Cb 0.33 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1yak h SER 111 CO 0.06 0.04 -0.22 0.22 -1.14 0.00 0.00 176.83 175.80 1yak h TYR 112 N 0.20 -0.57 -0.86 3.45 3.20 -1.06 0.12 116.97 121.44 1yak h TYR 112 Ca 0.18 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.08 1yak h TYR 112 Cb 0.21 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 1yak h TYR 112 CO -0.19 -0.33 0.57 1.79 -1.64 0.00 0.00 178.16 178.35 1yak h THR 113 N -0.52 1.16 -0.62 1.81 1.35 -1.12 -0.91 112.91 114.07 1yak h THR 113 Ca -0.02 -0.38 0.02 0.00 -0.55 0.00 0.00 66.41 65.48 1yak h THR 113 Cb 0.45 -0.03 -0.04 0.00 -1.73 0.00 0.00 68.15 66.80 1yak h THR 113 CO 0.00 0.20 0.39 0.28 -0.25 0.00 0.00 175.52 176.14 1yak h SER 114 N 1.10 0.65 -0.86 5.36 0.02 -0.02 -0.85 113.55 118.94 1yak h SER 114 Ca 0.34 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.29 1yak h SER 114 Cb -0.02 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1yak h SER 114 CO -0.09 0.46 0.56 -0.74 -1.14 0.00 0.00 176.83 175.88 1yak h HIS 115 N 0.78 1.09 -0.47 3.45 6.17 0.48 0.51 115.15 127.16 1yak h HIS 115 Ca 0.24 0.02 -0.12 0.00 0.71 0.00 0.00 60.37 61.22 1yak h HIS 115 Cb -0.02 -0.37 -0.02 0.00 2.52 0.00 0.00 27.41 29.53 1yak h HIS 115 CO -0.05 0.69 -0.18 0.52 0.71 0.00 0.00 177.93 179.62 1yak h MET 116 N 1.17 0.93 -0.05 5.26 2.86 -0.46 -2.49 114.93 122.15 1yak h MET 116 Ca 0.31 -0.37 -0.12 0.00 -2.06 0.00 0.00 59.70 57.46 1yak h MET 116 Cb -0.13 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1yak h MET 116 CO -0.07 1.03 -0.51 1.88 1.06 0.00 0.00 176.91 180.30 1yak h TYR 117 N 0.81 0.16 -0.87 -0.22 0.05 -0.13 -2.86 116.97 113.91 1yak h TYR 117 Ca 0.12 -0.05 0.04 0.00 0.05 0.00 0.00 58.73 58.88 1yak h TYR 117 Cb 0.73 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.39 1yak h TYR 117 CO 0.05 0.62 0.56 -0.09 -1.05 0.00 0.00 178.16 178.24 1yak h ARG 118 N 0.11 1.05 -0.89 4.88 2.43 0.43 -2.03 114.38 120.36 1yak h ARG 118 Ca 0.00 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.21 1yak h ARG 118 Cb 0.94 -0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 30.19 1yak h ARG 118 CO 0.07 0.69 0.57 0.66 -1.51 0.00 0.00 179.97 180.46 1yak h SER 119 N 1.08 0.79 -0.52 -3.80 4.64 -1.26 -0.92 113.55 113.56 1yak h SER 119 Ca 0.35 0.02 0.08 0.00 -0.47 0.00 0.00 61.79 61.77 1yak h SER 119 Cb 0.02 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 1yak h SER 119 CO -0.12 0.46 0.35 0.58 -0.87 0.00 0.00 176.83 177.23 1yak h VAL 120 N 0.87 0.92 0.00 0.95 2.07 -1.39 -0.77 116.25 118.90 1yak h VAL 120 Ca 0.41 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1yak h VAL 120 Cb 0.43 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1yak h VAL 120 CO -0.18 0.07 0.00 0.18 0.02 0.00 0.00 177.57 177.66 1yak n LEU 121 N -4.47 0.50 0.18 2.57 7.99 -0.35 -1.79 117.00 121.63 1yak n LEU 121 Ca 0.08 0.65 0.05 0.00 -0.01 0.00 0.00 56.01 56.79 1yak n LEU 121 Cb 0.32 -0.62 0.30 0.00 -0.11 0.00 0.00 43.42 43.30 1yak n LEU 121 CO 0.34 -0.61 0.65 0.77 -1.51 0.00 0.00 177.39 177.03 1yak h SER 122 N 0.00 0.00 0.00 -1.43 4.64 -1.24 -3.46 113.55 112.06 1yak h SER 122 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yak h SER 122 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1yak h SER 122 CO 0.00 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 1yak n GLY 123 N 0.39 0.51 3.44 -0.77 0.00 -0.74 -4.99 105.19 103.04 1yak n GLY 123 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1yak n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yak s ASN 124 N -2.28 5.04 0.25 1.61 3.84 -1.26 -5.00 114.94 117.14 1yak s ASN 124 Ca 0.00 -0.22 -0.04 0.00 0.21 0.00 0.00 52.86 52.81 1yak s ASN 124 Cb 0.00 -1.90 0.37 0.00 -0.55 0.00 0.00 41.25 39.18 1yak s ASN 124 CO 0.00 -0.02 1.86 0.15 -2.79 0.00 0.00 177.10 176.30 1yak h PHE 125 N 8.14 1.06 0.27 0.43 3.57 -1.93 -2.09 116.94 126.40 1yak h PHE 125 Ca -0.38 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.15 1yak h PHE 125 Cb 1.17 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.53 1yak h PHE 125 CO 0.65 0.53 -0.51 0.00 -2.23 0.00 0.00 178.31 176.76 1yak h ALA 126 N 1.43 -1.02 -0.75 2.41 0.00 -1.94 -1.08 119.26 118.31 1yak h ALA 126 Ca 0.40 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1yak h ALA 126 Cb 0.20 0.81 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1yak h ALA 126 CO -0.18 -1.13 0.50 0.93 0.00 0.00 0.00 179.25 179.36 1yak h GLU 127 N -0.84 0.78 -0.34 0.00 5.08 -1.82 0.11 114.58 117.55 1yak h GLU 127 Ca -0.02 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1yak h GLU 127 Cb 0.80 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1yak h GLU 127 CO -0.19 0.52 -0.20 0.82 -1.00 0.00 0.00 179.01 178.95 1yak h ILE 128 N 0.81 1.26 -0.28 3.13 2.04 -0.97 -2.33 117.51 121.18 1yak h ILE 128 Ca 0.32 -1.26 -0.17 0.00 1.00 0.00 0.00 64.86 64.75 1yak h ILE 128 Cb 0.24 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1yak h ILE 128 CO -0.11 0.42 -0.50 0.25 0.00 0.00 0.00 178.15 178.20 1yak h LEU 129 N 0.58 0.92 -0.89 1.44 5.85 -0.01 -2.55 115.31 120.66 1yak h LEU 129 Ca 0.09 -0.53 0.07 0.00 0.84 0.00 0.00 57.88 58.34 1yak h LEU 129 Cb 0.67 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 1yak h LEU 129 CO 0.05 1.28 0.55 0.00 -0.34 0.00 0.00 178.44 179.98 1yak h ALA 130 N 0.67 1.23 0.00 1.25 0.00 -0.61 0.88 119.26 122.67 1yak h ALA 130 Ca 0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1yak h ALA 130 Cb 1.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1yak h ALA 130 CO 0.11 0.29 -0.26 0.00 0.00 0.00 0.00 179.25 179.39 1yak h ALA 131 N 1.42 1.04 0.00 0.00 0.00 -1.34 -3.15 119.26 117.23 1yak h ALA 131 Ca 0.39 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1yak h ALA 131 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1yak h ALA 131 CO -0.18 0.33 -0.85 -0.07 0.00 0.00 0.00 179.25 178.48 1yak h LEU 132 N 0.00 0.00 0.37 0.00 3.38 -0.50 -3.42 115.31 115.14 1yak h LEU 132 Ca -0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1yak h LEU 132 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1yak h LEU 132 CO 0.03 0.02 -0.18 0.25 0.09 0.00 0.00 178.44 178.66 1yak h LEU 133 N 0.00 -0.42 -2.15 1.67 5.85 -0.89 -2.98 115.31 116.40 1yak h LEU 133 Ca 0.00 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.75 1yak h LEU 133 Cb 0.95 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1yak h LEU 133 CO 0.00 -0.24 0.18 -0.65 -0.34 0.00 0.00 178.44 177.40 1yak h PRO 134 N -0.57 0.00 -0.84 5.25 0.11 -1.80 0.15 132.00 134.30 1yak h PRO 134 Ca -0.05 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.09 1yak h PRO 134 Cb 0.42 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.48 1yak h PRO 134 CO 0.08 0.00 0.54 0.00 -0.21 0.00 0.00 178.00 178.42 1yak h TYR 136 N 1.06 -0.02 -0.49 0.00 0.05 -0.83 -3.34 116.97 113.40 1yak h TYR 136 Ca 0.34 -0.00 0.10 0.00 0.05 0.00 0.00 58.73 59.21 1yak h TYR 136 Cb 0.00 0.01 -0.08 0.00 1.01 0.00 0.00 36.73 37.66 1yak h TYR 136 CO -0.02 -0.02 -0.02 2.35 -1.05 0.00 0.00 178.16 179.40 1yak h TRP 137 N -0.25 -0.07 0.00 4.88 7.01 -0.99 -2.31 115.95 124.22 1yak h TRP 137 Ca -0.00 0.04 -0.10 0.00 2.11 0.00 0.00 58.89 60.94 1yak h TRP 137 Cb 0.02 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 1yak h TRP 137 CO 0.01 -0.13 -0.45 1.25 -2.79 0.00 0.00 178.44 176.33 1yak h LEU 138 N 0.10 0.00 -0.54 0.65 6.46 -1.32 -1.43 115.31 119.22 1yak h LEU 138 Ca 0.25 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.87 1yak h LEU 138 Cb 0.38 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 1yak h LEU 138 CO -0.43 0.45 -0.66 1.88 -0.62 0.00 0.00 178.44 179.07 1yak h TYR 139 N 0.00 0.00 -0.03 1.25 -1.99 -1.58 -2.66 116.97 111.96 1yak h TYR 139 Ca -0.00 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 1yak h TYR 139 Cb 0.89 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.63 1yak h TYR 139 CO 0.00 0.66 -0.21 -0.92 -0.00 0.00 0.00 178.16 177.68 1yak h TYR 140 N 0.00 0.27 -0.06 4.88 3.20 -1.06 -1.66 116.97 122.54 1yak h TYR 140 Ca -0.01 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.75 1yak h TYR 140 Cb 1.25 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.48 1yak h TYR 140 CO 0.00 0.86 0.05 0.93 -1.64 0.00 0.00 178.16 178.36 1yak h GLU 141 N -0.39 0.00 0.07 1.82 4.39 -1.27 0.25 114.58 119.45 1yak h GLU 141 Ca -0.02 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.42 1yak h GLU 141 Cb 0.90 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 1yak h GLU 141 CO 0.04 0.00 -1.25 0.28 -1.16 0.00 0.00 179.01 176.92 1yak h VAL 142 N 0.00 1.45 -0.27 3.13 2.07 -1.49 -2.90 116.25 118.24 1yak h VAL 142 Ca 0.03 -3.11 -0.11 0.00 0.82 0.00 0.00 66.70 64.33 1yak h VAL 142 Cb 0.13 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1yak h VAL 142 CO -0.00 0.87 -0.31 1.23 0.02 0.00 0.00 177.57 179.39 1yak h GLY 143 N 2.28 0.61 0.65 2.17 0.00 0.08 -3.03 103.07 105.83 1yak h GLY 143 Ca -0.12 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 1yak h GLY 143 CO 0.16 0.49 -0.14 1.05 0.00 0.00 0.00 176.54 178.10 1yak h GLU 144 N 0.48 0.25 -0.09 4.80 4.11 -0.69 -2.99 114.58 120.44 1yak h GLU 144 Ca 0.06 -0.15 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1yak h GLU 144 Cb 0.77 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1yak h GLU 144 CO 0.06 0.72 0.00 1.63 0.07 0.00 0.00 179.01 181.49 1yak n LYS 145 N -4.61 0.42 0.00 1.06 5.02 -1.10 -1.70 118.16 117.25 1yak n LYS 145 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1yak n LYS 145 Cb 0.36 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 1yak n LYS 145 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1yak n LEU 146 N -0.33 0.18 -0.21 -0.35 4.77 -1.14 -4.72 117.00 115.20 1yak n LEU 146 Ca 0.00 -0.34 -0.07 0.00 -0.03 0.00 0.00 56.01 55.57 1yak n LEU 146 Cb 0.02 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.19 1yak n LEU 146 CO 0.00 0.04 0.90 -0.07 -1.33 0.00 0.00 177.39 176.94 1yak h LEU 147 N 0.00 0.99 -0.50 2.23 3.38 -1.20 -2.12 115.31 118.09 1yak h LEU 147 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1yak h LEU 147 Cb 0.09 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1yak h LEU 147 CO 0.00 0.99 0.00 1.41 0.09 0.00 0.00 178.44 180.93 1yak n HIS 148 N -4.21 0.14 -3.81 1.13 8.25 -1.26 -4.81 115.22 110.65 1yak n HIS 148 Ca 0.04 -0.06 -0.32 0.00 -0.26 0.00 0.00 57.72 57.12 1yak n HIS 148 Cb 0.29 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.33 1yak n HIS 148 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yak n ASP 150 N 0.38 2.50 -3.13 0.00 2.03 -1.26 -5.05 116.55 112.03 1yak n ASP 150 Ca -0.05 -3.12 0.00 0.00 0.52 0.00 0.00 54.79 52.14 1yak n ASP 150 Cb 0.52 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1yak n ASP 150 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1yak n PRO 151 N 1.74 0.79 -2.86 -0.67 -0.04 -1.26 -4.89 135.00 127.82 1yak n PRO 151 Ca 0.24 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.59 1yak n PRO 151 Cb 0.40 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.89 1yak n PRO 151 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yak n GLY 152 N 3.67 2.01 3.24 0.55 0.00 -1.26 -4.92 105.19 108.49 1yak n GLY 152 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 1yak n GLY 152 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yak s HIS 153 N -1.72 -0.57 -1.01 1.61 3.76 -1.26 -4.99 115.29 111.12 1yak s HIS 153 Ca 0.30 1.22 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 1yak s HIS 153 Cb 0.38 0.24 0.00 0.00 1.11 0.00 0.00 32.58 34.31 1yak s HIS 153 CO -0.04 -0.33 0.78 -2.30 -0.85 0.00 0.00 174.74 172.01 1yak n PRO 154 N 4.27 0.00 -0.08 8.40 -0.02 -1.26 -1.42 135.00 144.89 1yak n PRO 154 Ca -0.24 0.31 -0.13 0.00 -2.02 0.00 0.00 63.50 61.42 1yak n PRO 154 Cb 0.55 -1.57 -0.04 0.00 -0.02 0.00 0.00 33.50 32.41 1yak n PRO 154 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1yak n ILE 155 N -1.28 1.37 0.77 4.25 3.06 -1.26 -3.34 119.36 122.93 1yak n ILE 155 Ca 0.00 0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 1yak n ILE 155 Cb 0.07 -2.06 0.00 0.00 0.54 0.00 0.00 39.64 38.20 1yak n ILE 155 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1yak n TYR 156 N -4.17 0.00 0.00 9.51 4.01 -0.77 -2.20 117.16 123.54 1yak n TYR 156 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1yak n TYR 156 Cb 0.56 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1yak n TYR 156 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1yak n GLN 157 N -0.01 0.00 -0.33 -0.72 6.02 -0.50 -4.55 117.38 117.29 1yak n GLN 157 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.17 1yak n GLN 157 Cb 0.10 -0.24 0.43 0.00 1.02 0.00 0.00 30.24 31.55 1yak n GLN 157 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1yak h LYS 158 N 0.00 0.53 0.67 -1.09 1.63 -1.52 -0.55 116.57 116.24 1yak h LYS 158 Ca 0.00 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 1yak h LYS 158 Cb 0.39 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 31.91 1yak h LYS 158 CO 0.00 0.35 -0.32 2.35 -3.45 0.00 0.00 179.45 178.38 1yak h TRP 159 N 0.55 -0.84 -0.82 1.91 7.01 -1.72 -2.16 115.95 119.88 1yak h TRP 159 Ca 0.58 -0.02 0.20 0.00 2.11 0.00 0.00 58.89 61.76 1yak h TRP 159 Cb 1.21 0.28 -0.12 0.00 -2.10 0.00 0.00 29.16 28.42 1yak h TRP 159 CO -0.00 -0.49 0.23 0.82 -2.79 0.00 0.00 178.44 176.22 1yak h ILE 160 N -1.10 0.43 -0.09 2.65 2.04 -1.43 0.36 117.51 120.38 1yak h ILE 160 Ca -0.09 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 1yak h ILE 160 Cb 0.73 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1yak h ILE 160 CO 0.15 0.05 -0.28 1.23 0.00 0.00 0.00 178.15 179.31 1yak h GLY 161 N 0.27 0.16 0.00 5.37 0.00 -1.11 -1.49 103.07 106.28 1yak h GLY 161 Ca 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1yak h GLY 161 CO -0.57 0.11 0.00 2.41 0.00 0.00 0.00 176.54 178.49 1yak n THR 162 N -4.16 0.00 1.17 4.70 -1.04 0.12 -0.63 114.28 114.44 1yak n THR 162 Ca -0.01 1.21 0.10 0.00 -2.04 0.00 0.00 64.05 63.30 1yak n THR 162 Cb 0.36 -2.18 0.57 0.00 -1.82 0.00 0.00 70.33 67.26 1yak n THR 162 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1yak n TYR 163 N -1.79 0.00 0.87 -1.42 4.01 -1.10 -1.81 117.16 115.93 1yak n TYR 163 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 1yak n TYR 163 Cb 0.00 -0.07 -0.05 0.00 -0.31 0.00 0.00 39.34 38.91 1yak n TYR 163 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yak n GLY 164 N 0.28 -0.32 0.00 2.72 0.00 -0.56 -4.60 105.19 102.71 1yak n GLY 164 Ca 0.14 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1yak n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yak n GLY 165 N 1.36 -3.02 0.01 -0.02 0.00 0.20 -4.80 105.19 98.92 1yak n GLY 165 Ca 0.06 -1.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.07 1yak n GLY 165 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yak n ASP 166 N 0.00 4.35 0.02 1.61 -0.08 -1.26 -4.35 116.55 116.84 1yak n ASP 166 Ca 0.00 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.30 1yak n ASP 166 Cb 0.00 0.81 0.37 0.00 2.34 0.00 0.00 41.12 44.64 1yak n ASP 166 CO 0.00 0.00 0.00 -0.25 0.12 0.00 0.00 177.20 177.07 1yak h TRP 167 N 0.00 0.47 0.00 -0.67 7.01 -1.94 -2.71 115.95 118.12 1yak h TRP 167 Ca -0.04 -0.02 -0.25 0.00 2.11 0.00 0.00 58.89 60.69 1yak h TRP 167 Cb 0.72 -0.15 0.01 0.00 -2.10 0.00 0.00 29.16 27.64 1yak h TRP 167 CO 0.00 0.41 -1.00 0.35 -2.79 0.00 0.00 178.44 175.41 1yak h PHE 168 N 0.47 0.83 -0.78 2.65 3.57 -1.87 -3.29 116.94 118.52 1yak h PHE 168 Ca 0.11 -0.45 0.06 0.00 3.53 0.00 0.00 57.97 61.22 1yak h PHE 168 Cb 0.17 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.76 1yak h PHE 168 CO 0.01 1.28 0.47 -0.09 -2.23 0.00 0.00 178.31 177.75 1yak h ARG 169 N 0.31 0.83 -0.04 1.11 2.43 -1.68 -2.57 114.38 114.77 1yak h ARG 169 Ca -0.11 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1yak h ARG 169 Cb 1.65 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.96 1yak h ARG 169 CO 0.19 0.55 -0.30 1.96 -1.51 0.00 0.00 179.97 180.86 1yak h GLN 170 N 0.86 -0.41 -0.52 0.20 4.20 -1.60 0.07 115.11 117.90 1yak h GLN 170 Ca 0.34 0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.18 1yak h GLN 170 Cb 0.17 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 27.93 1yak h GLN 170 CO -0.17 -0.27 -0.24 1.96 -0.67 0.00 0.00 178.83 179.43 1yak h GLN 171 N -0.42 -0.12 0.59 1.46 1.08 -1.57 -1.04 115.11 115.09 1yak h GLN 171 Ca 0.07 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.26 1yak h GLN 171 Cb 0.53 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 1yak h GLN 171 CO -0.28 -0.08 -0.50 0.28 -0.95 0.00 0.00 178.83 177.30 1yak h VAL 172 N -0.12 0.00 -0.71 -0.54 2.07 -1.02 -2.15 116.25 113.78 1yak h VAL 172 Ca 0.24 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.88 1yak h VAL 172 Cb 0.49 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.13 1yak h VAL 172 CO -0.60 0.00 -0.32 -0.08 0.02 0.00 0.00 177.57 176.60 1yak h GLU 173 N -1.06 -0.09 -0.01 1.57 4.81 -0.42 0.16 114.58 119.54 1yak h GLU 173 Ca -0.08 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1yak h GLU 173 Cb 0.90 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 1yak h GLU 173 CO -0.01 -0.06 -0.41 1.49 -0.73 0.00 0.00 179.01 179.28 1yak h GLU 174 N -0.10 -0.54 -0.96 1.92 4.81 -1.00 0.41 114.58 119.13 1yak h GLU 174 Ca 0.28 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.58 1yak h GLU 174 Cb 0.56 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.01 1yak h GLU 174 CO -0.77 -0.36 0.63 1.96 -0.73 0.00 0.00 179.01 179.75 1yak h GLN 175 N -0.56 1.19 -0.25 1.92 1.08 -0.61 -0.50 115.11 117.37 1yak h GLN 175 Ca 0.05 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1yak h GLN 175 Cb 0.64 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1yak h GLN 175 CO -0.32 0.79 0.16 0.82 -0.95 0.00 0.00 178.83 179.33 1yak h ILE 176 N 1.22 1.09 0.19 2.54 2.04 -0.09 0.71 117.51 125.21 1yak h ILE 176 Ca 0.38 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 1yak h ILE 176 Cb -0.02 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1yak h ILE 176 CO -0.11 0.08 -0.11 0.78 0.00 0.00 0.00 178.15 178.80 1yak h ASN 177 N 0.33 -0.26 -0.99 1.72 2.35 -0.21 -1.27 115.58 117.24 1yak h ASN 177 Ca 0.09 0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.93 1yak h ASN 177 Cb -0.00 0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.37 1yak h ASN 177 CO -0.02 -0.18 0.64 -0.09 -1.65 0.00 0.00 177.43 176.13 1yak h ARG 178 N -0.28 1.10 0.31 0.81 2.43 -0.97 0.35 114.38 118.12 1yak h ARG 178 Ca -0.02 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1yak h ARG 178 Cb 0.23 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1yak h ARG 178 CO 0.03 0.73 -0.34 0.35 -1.51 0.00 0.00 179.97 179.23 1yak h PHE 179 N 1.13 -0.91 -0.36 2.20 3.57 -0.51 0.40 116.94 122.46 1yak h PHE 179 Ca 0.44 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.95 1yak h PHE 179 Cb 0.22 0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1yak h PHE 179 CO -0.00 -0.47 0.23 -0.44 -2.23 0.00 0.00 178.31 175.40 1yak h ASP 180 N -0.68 0.40 -0.70 0.41 3.32 -0.37 0.58 116.42 119.38 1yak h ASP 180 Ca -0.01 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.09 1yak h ASP 180 Cb 0.63 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 1yak h ASP 180 CO -0.08 0.29 0.39 -0.08 -1.72 0.00 0.00 179.24 178.04 1yak h GLU 181 N 0.48 0.68 0.21 3.56 4.81 -0.08 0.64 114.58 124.89 1yak h GLU 181 Ca 0.13 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1yak h GLU 181 Cb -0.05 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.18 1yak h GLU 181 CO -0.03 0.45 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.53 1yak h LEU 182 N 0.70 -0.24 0.05 1.64 3.38 0.53 -3.24 115.31 118.14 1yak h LEU 182 Ca 0.32 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1yak h LEU 182 Cb 0.22 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1yak h LEU 182 CO -0.20 0.04 -0.11 0.00 0.09 0.00 0.00 178.44 178.26 1yak h ALA 183 N 0.22 -0.16 -0.92 1.53 0.00 0.58 -2.97 119.26 117.54 1yak h ALA 183 Ca -0.03 -0.01 0.37 0.00 0.00 0.00 0.00 54.91 55.24 1yak h ALA 183 Cb 0.39 0.17 -0.15 0.00 0.00 0.00 0.00 17.79 18.21 1yak h ALA 183 CO 0.05 -0.62 0.52 -1.91 0.00 0.00 0.00 179.25 177.29 1yak n GLU 184 N -5.23 -0.05 -2.44 0.00 2.13 0.22 -1.49 120.64 113.79 1yak n GLU 184 Ca -0.06 1.15 -0.22 0.00 0.66 0.00 0.00 57.16 58.69 1yak n GLU 184 Cb 0.15 -2.11 0.01 0.00 0.27 0.00 0.00 31.44 29.76 1yak n GLU 184 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1yak n ASN 185 N -4.81 4.08 -4.27 4.31 2.04 -1.12 -5.04 115.26 110.45 1yak n ASN 185 Ca 0.33 -3.48 -0.24 0.00 -0.44 0.00 0.00 54.58 50.74 1yak n ASN 185 Cb 1.15 -0.45 -0.13 0.00 -2.53 0.00 0.00 39.78 37.82 1yak n ASN 185 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1yak s SER 186 N -3.50 2.47 1.07 0.53 0.01 -0.55 -5.05 113.70 108.67 1yak s SER 186 Ca 0.44 -0.62 -0.17 0.00 1.31 0.00 0.00 55.95 56.91 1yak s SER 186 Cb 0.41 -0.16 0.12 0.00 0.21 0.00 0.00 66.02 66.60 1yak s SER 186 CO -0.10 0.09 0.03 0.35 0.41 0.00 0.00 173.24 174.01 1yak n THR 187 N 1.37 0.00 -0.04 1.44 -2.24 -1.26 -4.68 114.28 108.86 1yak n THR 187 Ca -0.19 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 1yak n THR 187 Cb 0.53 -0.51 -0.08 0.00 -2.10 0.00 0.00 70.33 68.18 1yak n THR 187 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1yak h GLU 188 N -2.29 0.25 -0.40 -0.78 4.39 -1.99 -2.37 114.58 111.39 1yak h GLU 188 Ca -0.39 -0.12 0.08 0.00 0.34 0.00 0.00 59.36 59.27 1yak h GLU 188 Cb 1.10 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.67 1yak h GLU 188 CO 0.27 0.64 -0.17 1.49 -1.16 0.00 0.00 179.01 180.07 1yak h GLU 189 N -0.13 -0.09 -0.17 2.33 4.81 -1.99 0.28 114.58 119.62 1yak h GLU 189 Ca 0.02 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1yak h GLU 189 Cb 0.58 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1yak h GLU 189 CO 0.02 -0.06 -0.16 0.28 -0.73 0.00 0.00 179.01 178.37 1yak h VAL 190 N -0.09 1.20 0.20 0.32 2.07 -1.90 -1.38 116.25 116.67 1yak h VAL 190 Ca 0.20 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1yak h VAL 190 Cb 0.39 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1yak h VAL 190 CO -0.46 0.28 -0.10 0.03 0.02 0.00 0.00 177.57 177.34 1yak h ARG 191 N 0.26 -0.26 -0.85 1.57 3.08 -0.42 0.36 114.38 118.12 1yak h ARG 191 Ca 0.05 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.26 1yak h ARG 191 Cb 0.44 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.46 1yak h ARG 191 CO 0.03 0.07 0.44 0.00 -1.07 0.00 0.00 179.97 179.44 1yak h ALA 192 N 0.06 1.27 -0.29 0.04 0.00 -0.33 0.24 119.26 120.24 1yak h ALA 192 Ca -0.03 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1yak h ALA 192 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1yak h ALA 192 CO 0.05 -0.08 0.16 0.87 0.00 0.00 0.00 179.25 180.25 1yak h LYS 193 N 0.64 0.40 -0.60 0.00 1.79 -1.13 0.52 116.57 118.18 1yak h LYS 193 Ca 0.46 -0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.93 1yak h LYS 193 Cb 0.63 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.15 1yak h LYS 193 CO -0.35 0.33 0.34 0.52 -1.08 0.00 0.00 179.45 179.20 1yak h MET 194 N 0.35 0.63 -0.24 3.15 2.86 0.14 0.47 114.93 122.28 1yak h MET 194 Ca 0.10 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1yak h MET 194 Cb 0.04 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1yak h MET 194 CO -0.02 0.42 0.03 -0.22 1.06 0.00 0.00 176.91 178.18 1yak h LYS 195 N 0.65 0.41 0.25 1.72 3.64 -0.32 0.27 116.57 123.20 1yak h LYS 195 Ca 0.25 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1yak h LYS 195 Cb 0.10 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1yak h LYS 195 CO -0.14 0.56 -0.41 1.49 -2.27 0.00 0.00 179.45 178.68 1yak h GLU 196 N 0.21 -0.70 -0.22 1.90 4.81 0.80 0.28 114.58 121.65 1yak h GLU 196 Ca 0.07 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1yak h GLU 196 Cb 0.35 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1yak h GLU 196 CO 0.01 -0.47 0.12 -0.91 -0.73 0.00 0.00 179.01 177.03 1yak h ASN 197 N -0.73 0.26 0.24 1.04 -0.26 -0.03 -0.97 115.58 115.13 1yak h ASN 197 Ca -0.01 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.71 1yak h ASN 197 Cb 0.70 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 1yak h ASN 197 CO -0.16 0.21 -0.11 0.15 -1.06 0.00 0.00 177.43 176.46 1yak h PHE 198 N 0.31 -0.30 -0.73 1.19 3.04 -0.20 -2.20 116.94 118.04 1yak h PHE 198 Ca 0.08 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.05 1yak h PHE 198 Cb 0.01 0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.57 1yak h PHE 198 CO 0.00 0.07 0.47 0.28 -2.02 0.00 0.00 178.31 177.11 1yak h VAL 199 N -0.75 1.12 -0.42 1.41 2.07 -0.18 -0.87 116.25 118.63 1yak h VAL 199 Ca -0.03 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1yak h VAL 199 Cb 0.50 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1yak h VAL 199 CO 0.05 0.17 0.18 0.40 0.02 0.00 0.00 177.57 178.39 1yak h ILE 200 N 0.92 1.19 -0.70 4.57 2.04 -1.24 -1.26 117.51 123.03 1yak h ILE 200 Ca 0.29 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1yak h ILE 200 Cb -0.01 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1yak h ILE 200 CO -0.10 0.21 0.28 0.28 0.00 0.00 0.00 178.15 178.82 1yak h SER 201 N 0.54 0.96 -0.12 1.72 0.02 -1.06 -0.63 113.55 114.98 1yak h SER 201 Ca 0.14 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1yak h SER 201 Cb 0.17 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1yak h SER 201 CO -0.01 0.86 -0.03 0.28 -1.14 0.00 0.00 176.83 176.78 1yak h SER 202 N 1.02 -0.11 -0.34 3.07 0.02 -0.74 0.31 113.55 116.78 1yak h SER 202 Ca 0.24 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.29 1yak h SER 202 Cb 0.20 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.75 1yak h SER 202 CO -0.02 -0.04 -0.04 0.22 -1.14 0.00 0.00 176.83 175.81 1yak h TYR 203 N -0.00 -0.10 -0.56 3.45 3.20 -0.71 -1.16 116.97 121.09 1yak h TYR 203 Ca 0.06 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.96 1yak h TYR 203 Cb 0.09 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1yak h TYR 203 CO -0.16 -0.10 0.37 1.88 -1.64 0.00 0.00 178.16 178.51 1yak h TYR 204 N 0.05 0.69 -0.62 -3.82 0.05 -0.41 -1.27 116.97 111.64 1yak h TYR 204 Ca 0.17 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.93 1yak h TYR 204 Cb 0.24 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 1yak h TYR 204 CO -0.28 0.43 0.28 0.93 -1.05 0.00 0.00 178.16 178.47 1yak h GLU 205 N 0.74 0.92 -0.74 4.88 4.39 0.20 0.18 114.58 125.14 1yak h GLU 205 Ca 0.21 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 1yak h GLU 205 Cb -0.05 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.41 1yak h GLU 205 CO -0.05 0.76 0.22 -0.92 -1.16 0.00 0.00 179.01 177.86 1yak h TYR 206 N 0.86 1.19 -0.09 4.33 3.20 -0.41 -2.75 116.97 123.31 1yak h TYR 206 Ca 0.21 -0.12 -0.13 0.00 3.14 0.00 0.00 58.73 61.83 1yak h TYR 206 Cb 0.16 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1yak h TYR 206 CO 0.01 0.94 -0.51 1.96 -1.64 0.00 0.00 178.16 178.92 1yak h GLN 207 N 1.10 0.25 -0.77 1.82 1.08 -0.73 -2.82 115.11 115.04 1yak h GLN 207 Ca 0.24 -0.15 0.08 0.00 -1.45 0.00 0.00 58.65 57.37 1yak h GLN 207 Cb 0.32 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.71 1yak h GLN 207 CO -0.01 0.71 0.51 0.35 -0.95 0.00 0.00 178.83 179.44 1yak h PHE 208 N 0.20 0.79 0.72 2.96 3.04 -0.35 0.26 116.94 124.56 1yak h PHE 208 Ca 0.01 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.94 1yak h PHE 208 Cb 0.98 -0.26 0.01 0.00 2.56 0.00 0.00 35.95 39.24 1yak h PHE 208 CO 0.02 0.39 -0.35 -1.49 -2.02 0.00 0.00 178.31 174.86 1yak h TRP 209 N 0.76 -0.90 -0.88 0.41 -0.00 -1.45 -1.36 115.95 112.54 1yak h TRP 209 Ca 0.35 -0.02 0.20 0.00 -0.00 0.00 0.00 58.89 59.41 1yak h TRP 209 Cb 0.36 0.30 -0.06 0.00 -0.00 0.00 0.00 29.16 29.75 1yak h TRP 209 CO -0.00 -0.53 0.58 0.78 -0.00 0.00 0.00 178.44 179.27 1yak h GLY 210 N -1.13 0.79 0.83 1.49 0.00 -1.32 0.44 103.07 104.17 1yak h GLY 210 Ca -0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1yak h GLY 210 CO 0.16 0.00 -0.03 1.98 0.00 0.00 0.00 176.54 178.66 1yak h MET 211 N 0.38 0.41 -0.41 4.80 1.85 -0.13 -1.31 114.93 120.53 1yak h MET 211 Ca 0.45 -0.15 -0.12 0.00 -0.61 0.00 0.00 59.70 59.28 1yak h MET 211 Cb 1.15 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.14 1yak h MET 211 CO -0.16 0.63 -0.22 0.00 -0.40 0.00 0.00 176.91 176.76 1yak h ALA 212 N 0.77 0.84 -0.36 0.39 0.00 -0.05 0.77 119.26 121.62 1yak h ALA 212 Ca 0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1yak h ALA 212 Cb 0.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1yak h ALA 212 CO 0.02 0.64 0.12 -0.92 0.00 0.00 0.00 179.25 179.11 1yak h TYR 213 N 0.72 0.58 -0.00 0.00 3.20 -0.89 -2.89 116.97 117.68 1yak h TYR 213 Ca 0.10 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1yak h TYR 213 Cb 0.74 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1yak h TYR 213 CO 0.04 0.55 -0.11 0.54 -1.64 0.00 0.00 178.16 177.55 1yak n ARG 214 N -4.65 0.23 -3.28 1.82 1.74 -0.50 -4.91 116.66 107.10 1yak n ARG 214 Ca -0.01 -0.05 -0.24 0.00 -0.77 0.00 0.00 57.85 56.78 1yak n ARG 214 Cb 0.17 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.15 1yak n ARG 214 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1yak n LYS 215 N -1.34 -5.49 -1.40 5.56 5.02 0.16 -4.84 118.16 115.82 1yak n LYS 215 Ca 0.10 0.81 -0.48 0.00 -2.02 0.00 0.00 58.31 56.71 1yak n LYS 215 Cb 0.31 -5.70 -0.03 0.00 -0.02 0.00 0.00 35.03 29.58 1yak n LYS 215 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1yak n GLU 216 N -4.29 0.00 -4.47 1.97 2.13 -0.56 -5.02 120.64 110.40 1yak n GLU 216 Ca -0.06 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.52 1yak n GLU 216 Cb 0.59 -1.01 -0.08 0.00 0.27 0.00 0.00 31.44 31.21 1yak n GLU 216 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1yak s GLY 217 N -0.98 2.52 0.12 8.31 0.00 -1.26 -4.83 107.32 111.20 1yak s GLY 217 Ca 0.64 -1.40 0.06 0.00 0.00 0.00 0.00 44.72 44.02 1yak s GLY 217 CO 0.56 -1.77 1.27 1.49 0.00 0.00 0.00 173.10 174.66 1yak h TRP 218 N 1.87 0.07 -0.00 1.90 4.06 -1.95 -3.43 115.95 118.47 1yak h TRP 218 Ca -0.34 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.56 1yak h TRP 218 Cb 1.27 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.42 1yak h TRP 218 CO 1.47 1.03 0.00 0.43 -3.56 0.00 0.00 178.44 177.81