#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ysq h LEU 6 N 0.00 -0.76 -0.23 -3.43 3.38 -2.00 0.95 115.31 113.23 1ysq h LEU 6 Ca 0.00 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ysq h LEU 6 Cb 0.00 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1ysq h LEU 6 CO 0.00 -0.34 0.12 0.78 0.09 0.00 0.00 178.44 179.10 1ysq h ASN 7 N -0.43 0.19 -0.37 -0.43 2.35 -2.00 -0.58 115.58 114.31 1ysq h ASN 7 Ca 0.05 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 1ysq h ASN 7 Cb 0.49 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1ysq h ASN 7 CO -0.20 0.15 -0.13 -0.29 -1.65 0.00 0.00 177.43 175.31 1ysq h ILE 8 N 0.26 1.26 -0.55 2.81 6.09 -1.97 -2.34 117.51 123.06 1ysq h ILE 8 Ca 0.09 -1.22 -0.08 0.00 -1.37 0.00 0.00 64.86 62.28 1ysq h ILE 8 Cb 0.01 1.06 -0.02 0.00 0.47 0.00 0.00 36.82 38.33 1ysq h ILE 8 CO -0.05 0.42 0.02 0.40 -3.07 0.00 0.00 178.15 175.87 1ysq h ILE 9 N 0.74 1.25 -0.50 2.19 2.04 -0.59 0.18 117.51 122.83 1ysq h ILE 9 Ca 0.12 -1.05 0.04 0.00 1.00 0.00 0.00 64.86 64.96 1ysq h ILE 9 Cb 0.63 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1ysq h ILE 9 CO 0.04 0.38 0.27 -0.74 0.00 0.00 0.00 178.15 178.11 1ysq h HIS 10 N 0.87 0.51 -0.10 1.37 2.76 -0.88 0.23 115.15 119.90 1ysq h HIS 10 Ca 0.16 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1ysq h HIS 10 Cb 0.48 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 1ysq h HIS 10 CO 0.03 0.26 0.04 0.82 -1.30 0.00 0.00 177.93 177.78 1ysq h ILE 11 N 0.54 1.15 0.14 6.26 2.04 -1.17 -3.37 117.51 123.09 1ysq h ILE 11 Ca 0.21 -0.44 -0.28 0.00 1.00 0.00 0.00 64.86 65.35 1ysq h ILE 11 Cb 0.09 1.27 0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1ysq h ILE 11 CO -0.13 0.13 -1.26 0.00 0.00 0.00 0.00 178.15 176.89 1ysq h ALA 12 N 0.87 0.08 -0.71 1.87 0.00 -0.21 -3.40 119.26 117.76 1ysq h ALA 12 Ca 0.03 -0.88 0.16 0.00 0.00 0.00 0.00 54.91 54.22 1ysq h ALA 12 Cb 0.17 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.87 1ysq h ALA 12 CO -0.00 0.94 0.12 0.00 0.00 0.00 0.00 179.25 180.31 1ysq h ALA 13 N 0.55 0.86 -0.69 0.00 0.00 -0.72 -0.11 119.26 119.15 1ysq h ALA 13 Ca -0.14 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ysq h ALA 13 Cb 1.98 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 20.01 1ysq h ALA 13 CO 0.21 -0.36 0.44 -1.35 0.00 0.00 0.00 179.25 178.19 1ysq h PRO 14 N 0.21 0.91 -0.13 0.00 0.11 -1.82 0.09 132.00 131.37 1ysq h PRO 14 Ca 0.40 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 66.28 1ysq h PRO 14 Cb 0.68 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 31.59 1ysq h PRO 14 CO -0.53 0.61 -0.55 0.45 -0.21 0.00 0.00 178.00 177.77 1ysq h HIS 15 N 0.93 0.81 -0.46 0.65 3.86 -1.33 -1.75 115.15 117.87 1ysq h HIS 15 Ca 0.25 -0.35 -0.08 0.00 -1.16 0.00 0.00 60.37 59.03 1ysq h HIS 15 Cb -0.09 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 1ysq h HIS 15 CO 0.00 1.13 -0.03 -0.07 0.86 0.00 0.00 177.93 179.83 1ysq h LEU 16 N 0.25 0.82 -0.47 2.43 3.38 -0.91 -1.84 115.31 118.96 1ysq h LEU 16 Ca -0.03 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.63 1ysq h LEU 16 Cb 1.19 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1ysq h LEU 16 CO 0.12 0.94 0.28 -0.33 0.09 0.00 0.00 178.44 179.54 1ysq h GLU 17 N 0.67 0.55 -0.61 1.13 5.08 -1.01 -0.42 114.58 119.97 1ysq h GLU 17 Ca 0.13 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.54 1ysq h GLU 17 Cb 0.54 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 1ysq h GLU 17 CO 0.03 0.37 0.23 0.00 -1.00 0.00 0.00 179.01 178.64 1ysq h ALA 18 N 1.20 0.78 -0.36 3.43 0.00 -1.17 -0.47 119.26 122.67 1ysq h ALA 18 Ca 0.18 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1ysq h ALA 18 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ysq h ALA 18 CO -0.08 -0.18 -0.29 1.25 0.00 0.00 0.00 179.25 179.96 1ysq h LEU 19 N 0.42 0.80 -0.26 0.00 5.85 -0.86 -0.33 115.31 120.93 1ysq h LEU 19 Ca 0.30 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1ysq h LEU 19 Cb 0.36 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1ysq h LEU 19 CO -0.29 1.04 0.05 -1.13 -0.34 0.00 0.00 178.44 177.77 1ysq h ASN 20 N 0.66 0.02 -0.45 1.25 -0.00 -0.63 -0.71 115.58 115.71 1ysq h ASN 20 Ca 0.08 0.04 -0.04 0.00 -0.00 0.00 0.00 56.30 56.38 1ysq h ASN 20 Cb 0.82 0.05 -0.02 0.00 -0.00 0.00 0.00 38.32 39.17 1ysq h ASN 20 CO 0.07 0.04 0.12 0.40 -0.00 0.00 0.00 177.43 178.06 1ysq h ILE 21 N 0.15 1.23 -0.45 2.57 1.08 -0.88 0.86 117.51 122.07 1ysq h ILE 21 Ca 0.12 -0.80 -0.05 0.00 -0.39 0.00 0.00 64.86 63.74 1ysq h ILE 21 Cb 0.12 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 1ysq h ILE 21 CO -0.16 0.29 0.10 0.00 -0.69 0.00 0.00 178.15 177.69 1ysq h ALA 22 N 0.98 0.59 0.00 1.87 0.00 -0.81 -3.25 119.26 118.64 1ysq h ALA 22 Ca 0.14 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1ysq h ALA 22 Cb 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ysq h ALA 22 CO 0.00 0.28 -1.39 0.25 0.00 0.00 0.00 179.25 178.40 1ysq n THR 23 N -4.50 0.99 -0.88 0.00 -2.24 -0.29 -4.97 114.28 102.37 1ysq n THR 23 Ca 0.00 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1ysq n THR 23 Cb 0.22 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 1ysq n THR 23 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ysq n GLY 24 N 1.35 1.11 3.90 3.38 0.00 0.29 -4.82 105.19 110.41 1ysq n GLY 24 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 1ysq n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ysq s GLU 25 N -0.05 2.79 0.11 1.61 0.41 -1.24 -1.08 118.70 121.25 1ysq s GLU 25 Ca 0.00 -1.26 -0.34 0.00 -0.41 0.00 0.00 54.97 52.96 1ysq s GLU 25 Cb 0.00 -2.56 -0.13 0.00 -1.78 0.00 0.00 34.13 29.66 1ysq s GLU 25 CO 0.00 0.01 1.65 2.41 -0.49 0.00 0.00 175.26 178.85 1ysq n THR 26 N -1.50 0.14 -4.52 3.63 -1.04 -1.22 -4.42 114.28 105.34 1ysq n THR 26 Ca 0.00 -0.03 -0.33 0.00 -2.04 0.00 0.00 64.05 61.65 1ysq n THR 26 Cb 0.60 -1.63 -0.14 0.00 -1.82 0.00 0.00 70.33 67.33 1ysq n THR 26 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ysq s ILE 27 N 1.66 3.03 0.01 12.58 -1.09 -0.57 -1.98 121.20 134.85 1ysq s ILE 27 Ca 0.82 -0.65 0.06 0.00 -2.23 0.00 0.00 60.65 58.64 1ysq s ILE 27 Cb -0.68 -2.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.88 1ysq s ILE 27 CO 0.41 0.50 -0.15 0.20 -1.23 0.00 0.00 174.94 174.67 1ysq s ASN 28 N 0.69 4.02 -0.05 3.58 -0.87 -0.13 -0.89 114.94 121.29 1ysq s ASN 28 Ca -0.06 -0.32 -0.02 0.00 -1.57 0.00 0.00 52.86 50.90 1ysq s ASN 28 Cb -0.15 -0.76 0.03 0.00 -0.02 0.00 0.00 41.25 40.35 1ysq s ASN 28 CO 0.02 0.28 0.04 0.12 -2.57 0.00 0.00 177.10 174.99 1ysq s PHE 29 N -0.90 0.26 0.30 2.20 5.36 -0.39 -0.96 117.98 123.85 1ysq s PHE 29 Ca 0.15 0.10 0.10 0.00 -0.96 0.00 0.00 56.93 56.32 1ysq s PHE 29 Cb -0.11 -0.59 -0.06 0.00 -0.34 0.00 0.00 43.02 41.92 1ysq s PHE 29 CO 0.05 -0.25 -0.13 -1.54 -1.46 0.00 0.00 175.22 171.89 1ysq s SER 30 N 2.10 3.46 0.31 6.13 1.04 -0.53 -1.49 113.70 124.72 1ysq s SER 30 Ca 0.05 -1.12 0.09 0.00 0.48 0.00 0.00 55.95 55.45 1ysq s SER 30 Cb -0.12 -0.29 -0.05 0.00 0.10 0.00 0.00 66.02 65.66 1ysq s SER 30 CO -0.04 -0.13 0.01 -0.94 0.98 0.00 0.00 173.24 173.12 1ysq s SER 31 N -3.53 4.35 -0.08 7.02 1.04 -0.60 -1.75 113.70 120.15 1ysq s SER 31 Ca 0.30 -0.84 -0.17 0.00 0.48 0.00 0.00 55.95 55.72 1ysq s SER 31 Cb -0.00 -0.66 -0.05 0.00 0.10 0.00 0.00 66.02 65.41 1ysq s SER 31 CO 0.15 -0.14 0.46 -0.60 0.98 0.00 0.00 173.24 174.08 1ysq s ARG 32 N -3.71 4.24 -0.62 4.02 3.52 -0.97 -0.76 118.95 124.68 1ysq s ARG 32 Ca 0.34 0.45 0.05 0.00 -0.13 0.00 0.00 55.73 56.44 1ysq s ARG 32 Cb -0.03 -3.37 0.17 0.00 -1.56 0.00 0.00 34.95 30.16 1ysq s ARG 32 CO 0.20 0.32 0.46 -1.91 -0.81 0.00 0.00 175.30 173.55 1ysq n GLU 33 N 3.10 1.36 0.00 5.12 2.13 -0.40 -4.92 120.64 127.03 1ysq n GLU 33 Ca -0.09 -4.10 0.00 0.00 0.66 0.00 0.00 57.16 53.63 1ysq n GLU 33 Cb 0.52 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.13 1ysq n GLU 33 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1ysq n ASP 34 N 2.18 0.00 -1.12 4.31 2.03 -1.26 -2.86 116.55 119.83 1ysq n ASP 34 Ca 0.23 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.60 1ysq n ASP 34 Cb 0.39 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 41.02 1ysq n ASP 34 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1ysq n ASP 35 N 9.95 3.23 -3.80 1.67 5.75 -1.26 -4.86 116.55 127.23 1ysq n ASP 35 Ca 0.00 -2.32 -0.10 0.00 -0.01 0.00 0.00 54.79 52.35 1ysq n ASP 35 Cb 0.00 -0.48 -0.07 0.00 -1.03 0.00 0.00 41.12 39.54 1ysq n ASP 35 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1ysq s HIS 36 N -1.78 0.01 0.14 2.11 -3.43 -1.14 -3.67 115.29 107.53 1ysq s HIS 36 Ca 0.31 -0.28 -0.15 0.00 -0.80 0.00 0.00 55.06 54.15 1ysq s HIS 36 Cb 0.21 0.03 -0.07 0.00 -1.43 0.00 0.00 32.58 31.32 1ysq s HIS 36 CO 0.14 -0.51 0.55 0.00 -2.00 0.00 0.00 174.74 172.91 1ysq s ALA 37 N -3.09 3.58 -0.20 -1.38 0.00 0.33 -1.27 121.76 119.73 1ysq s ALA 37 Ca -0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 1ysq s ALA 37 Cb 0.01 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 1ysq s ALA 37 CO -0.07 0.45 -0.01 0.42 0.00 0.00 0.00 175.76 176.55 1ysq s ILE 38 N -1.44 3.83 -0.68 0.00 1.01 0.06 -0.39 121.20 123.60 1ysq s ILE 38 Ca 0.37 -0.35 -0.27 0.00 0.00 0.00 0.00 60.65 60.40 1ysq s ILE 38 Cb -0.15 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.60 1ysq s ILE 38 CO 0.19 0.43 1.48 -0.22 0.00 0.00 0.00 174.94 176.82 1ysq s LEU 39 N 1.04 3.23 0.03 2.97 2.96 -0.18 -1.56 118.68 127.17 1ysq s LEU 39 Ca 0.02 -0.12 0.24 0.00 -0.22 0.00 0.00 54.13 54.04 1ysq s LEU 39 Cb -0.14 -2.60 0.23 0.00 0.50 0.00 0.00 46.19 44.17 1ysq s LEU 39 CO 0.01 -2.00 1.20 2.30 -1.32 0.00 0.00 176.35 176.54 1ysq n ILE 40 N 6.70 0.11 -3.63 6.68 -5.35 -0.56 0.32 119.36 123.63 1ysq n ILE 40 Ca 0.10 -0.13 -0.11 0.00 -0.27 0.00 0.00 62.75 62.34 1ysq n ILE 40 Cb 0.50 0.27 -0.07 0.00 -1.74 0.00 0.00 39.64 38.60 1ysq n ILE 40 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1ysq s TYR 41 N -3.10 -0.88 -0.10 4.28 5.04 -1.01 -4.84 117.35 116.74 1ysq s TYR 41 Ca 0.07 1.97 -0.07 0.00 -2.44 0.00 0.00 57.07 56.60 1ysq s TYR 41 Cb 0.16 0.41 0.03 0.00 0.35 0.00 0.00 41.96 42.91 1ysq s TYR 41 CO 0.76 -0.43 0.26 0.21 -1.34 0.00 0.00 175.55 175.01 1ysq s LYS 42 N 0.86 0.26 -0.15 4.97 2.20 -1.26 -1.26 119.74 125.36 1ysq s LYS 42 Ca -0.04 0.44 -0.01 0.00 -0.36 0.00 0.00 55.97 56.01 1ysq s LYS 42 Cb -0.05 0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 36.29 1ysq s LYS 42 CO -0.07 -0.09 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.19 1ysq s LEU 43 N 0.65 2.65 0.76 5.43 1.43 -0.07 -4.99 118.68 124.54 1ysq s LEU 43 Ca -0.04 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 1ysq s LEU 43 Cb -0.06 -1.61 0.06 0.00 0.03 0.00 0.00 46.19 44.61 1ysq s LEU 43 CO -0.04 0.11 1.12 -1.61 0.23 0.00 0.00 176.35 176.16 1ysq s GLU 44 N 0.68 2.15 0.75 1.70 0.41 -1.26 -1.51 118.70 121.62 1ysq s GLU 44 Ca -0.06 1.37 -0.14 0.00 -0.41 0.00 0.00 54.97 55.72 1ysq s GLU 44 Cb -0.15 -1.87 0.05 0.00 -1.78 0.00 0.00 34.13 30.37 1ysq s GLU 44 CO 0.02 -1.75 1.17 -1.25 -0.49 0.00 0.00 175.26 172.96 1ysq s PRO 45 N -4.53 2.11 0.00 0.39 0.04 -1.26 -4.60 135.00 127.15 1ysq s PRO 45 Ca 0.65 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1ysq s PRO 45 Cb -0.20 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1ysq s PRO 45 CO 0.51 -1.82 0.00 0.25 0.04 0.00 0.00 177.00 175.98 1ysq n THR 46 N -2.95 0.00 0.26 1.26 -2.24 -0.38 -4.76 114.28 105.47 1ysq n THR 46 Ca 0.12 0.02 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 1ysq n THR 46 Cb 0.51 -0.78 0.11 0.00 -2.10 0.00 0.00 70.33 68.06 1ysq n THR 46 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1ysq h THR 47 N 0.00 0.00 -4.04 4.28 1.35 -1.92 -3.46 112.91 109.12 1ysq h THR 47 Ca 0.00 -0.88 -0.54 0.00 -0.55 0.00 0.00 66.41 64.44 1ysq h THR 47 Cb 0.00 1.57 0.12 0.00 -1.73 0.00 0.00 68.15 68.11 1ysq h THR 47 CO 0.00 0.00 0.58 -0.83 -0.25 0.00 0.00 175.52 175.02 1ysq s GLY 48 N -4.14 2.86 -0.02 5.82 0.00 -0.24 -4.96 107.32 106.64 1ysq s GLY 48 Ca 0.04 1.25 0.19 0.00 0.00 0.00 0.00 44.72 46.20 1ysq s GLY 48 CO 0.73 1.76 0.57 1.03 0.00 0.00 0.00 173.10 177.18 1ysq n MET 49 N -0.91 0.67 -2.69 2.90 0.00 -1.26 -4.76 117.12 111.07 1ysq n MET 49 Ca 0.10 -0.11 -0.43 0.00 0.00 0.00 0.00 57.70 57.26 1ysq n MET 49 Cb 0.46 -1.43 -0.02 0.00 0.00 0.00 0.00 33.22 32.22 1ysq n MET 49 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1ysq s LEU 50 N -3.78 4.16 -0.13 4.03 2.96 -1.26 -5.02 118.68 119.64 1ysq s LEU 50 Ca -0.02 1.42 0.02 0.00 -0.22 0.00 0.00 54.13 55.34 1ysq s LEU 50 Cb 0.13 -3.52 0.01 0.00 0.50 0.00 0.00 46.19 43.31 1ysq s LEU 50 CO 0.79 -0.56 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.93 1ysq s ARG 51 N 2.64 2.86 0.48 1.98 0.52 -1.26 -4.71 118.95 121.45 1ysq s ARG 51 Ca 0.45 -0.80 -0.01 0.00 -0.52 0.00 0.00 55.73 54.86 1ysq s ARG 51 Cb -0.16 -2.33 -0.00 0.00 0.52 0.00 0.00 34.95 32.98 1ysq s ARG 51 CO 0.11 -0.02 0.71 0.95 0.02 0.00 0.00 175.30 177.07 1ysq s THR 52 N 0.84 3.93 -2.29 0.02 -4.23 -1.26 -4.99 115.64 107.66 1ysq s THR 52 Ca -0.07 -0.41 0.30 0.00 -1.18 0.00 0.00 61.69 60.33 1ysq s THR 52 Cb -0.15 -3.47 0.70 0.00 1.34 0.00 0.00 72.50 70.92 1ysq s THR 52 CO -0.02 -0.36 1.95 0.54 -0.54 0.00 0.00 174.62 176.19 1ysq n ARG 53 N -2.17 1.38 -1.66 3.99 1.74 -1.26 -4.92 116.66 113.76 1ysq n ARG 53 Ca 0.02 -0.55 -0.38 0.00 -0.77 0.00 0.00 57.85 56.16 1ysq n ARG 53 Cb 0.58 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.58 1ysq n ARG 53 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ysq n ALA 54 N -0.32 0.67 -2.99 7.54 0.00 -1.26 -5.03 120.51 119.12 1ysq n ALA 54 Ca 0.21 0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.59 1ysq n ALA 54 Cb 0.25 -2.20 -0.08 0.00 0.00 0.00 0.00 19.45 17.42 1ysq n ALA 54 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1ysq s TYR 55 N -1.42 -0.08 0.16 0.00 -0.85 -1.26 -5.10 117.35 108.81 1ysq s TYR 55 Ca 0.75 -0.06 -0.31 0.00 -0.52 0.00 0.00 57.07 56.92 1ysq s TYR 55 Cb -0.42 0.07 -0.11 0.00 0.38 0.00 0.00 41.96 41.88 1ysq s TYR 55 CO 0.47 -0.48 1.74 0.42 -1.52 0.00 0.00 175.55 176.18 1ysq s ILE 56 N -2.46 2.38 0.00 -3.49 1.01 -1.26 -1.46 121.20 115.92 1ysq s ILE 56 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1ysq s ILE 56 Cb -0.01 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.38 1ysq s ILE 56 CO -0.03 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.53 1ysq n GLY 57 N 4.05 0.05 3.77 6.18 0.00 0.15 -5.02 105.19 114.36 1ysq n GLY 57 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1ysq n GLY 57 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ysq s GLN 58 N -0.97 4.01 -0.26 1.61 0.74 -0.53 -4.74 119.66 119.52 1ysq s GLN 58 Ca 0.00 2.37 -0.10 0.00 0.05 0.00 0.00 55.36 57.68 1ysq s GLN 58 Cb 0.00 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.21 1ysq s GLN 58 CO 0.00 -0.53 0.14 -1.01 -0.55 0.00 0.00 175.29 173.34 1ysq s HIS 59 N -1.18 3.20 -0.22 1.67 3.76 -1.26 -1.01 115.29 120.25 1ysq s HIS 59 Ca 0.55 -0.02 -0.05 0.00 -0.15 0.00 0.00 55.06 55.39 1ysq s HIS 59 Cb -0.42 -2.30 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 1ysq s HIS 59 CO 0.56 -0.15 0.01 -1.64 -0.85 0.00 0.00 174.74 172.66 1ysq s MET 60 N 1.49 3.54 0.46 1.40 1.00 0.48 -4.94 119.30 122.72 1ysq s MET 60 Ca 0.07 -0.54 -0.25 0.00 0.00 0.00 0.00 55.69 54.97 1ysq s MET 60 Cb -0.15 -3.12 -0.08 0.00 0.00 0.00 0.00 34.83 31.48 1ysq s MET 60 CO 0.07 -0.12 1.35 -2.14 0.00 0.00 0.00 175.02 174.18 1ysq s PRO 61 N 1.34 3.67 0.30 2.03 0.02 -1.26 -0.51 135.00 140.58 1ysq s PRO 61 Ca 0.04 2.24 -0.02 0.00 0.02 0.00 0.00 61.00 63.29 1ysq s PRO 61 Cb -0.15 -2.58 0.45 0.00 0.02 0.00 0.00 34.50 32.24 1ysq s PRO 61 CO 0.01 -0.77 1.95 -0.07 -0.33 0.00 0.00 177.00 177.79 1ysq h LEU 62 N 2.23 0.96 -1.10 -5.54 3.38 -1.89 -3.03 115.31 110.32 1ysq h LEU 62 Ca -0.50 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 1ysq h LEU 62 Cb 1.27 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1ysq h LEU 62 CO 0.61 0.67 -0.13 0.10 0.09 0.00 0.00 178.44 179.78 1ysq h TYR 63 N 1.12 0.00 -0.01 1.13 -0.00 -1.91 -2.89 116.97 114.41 1ysq h TYR 63 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.06 1ysq h TYR 63 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.69 1ysq h TYR 63 CO -0.00 0.13 0.00 0.00 -0.00 0.00 0.00 178.16 178.29 1ysq s SER 65 N -0.68 4.92 0.16 0.00 0.15 -1.15 -4.68 113.70 112.42 1ysq s SER 65 Ca 0.01 -0.12 -0.16 0.00 0.70 0.00 0.00 55.95 56.37 1ysq s SER 65 Cb 0.00 -1.82 0.06 0.00 -1.71 0.00 0.00 66.02 62.55 1ysq s SER 65 CO 0.01 0.14 1.76 0.00 1.20 0.00 0.00 173.24 176.34 1ysq h ALA 66 N 6.96 0.44 -0.76 5.45 0.00 -1.87 0.23 119.26 129.71 1ysq h ALA 66 Ca -0.33 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1ysq h ALA 66 Cb 1.18 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1ysq h ALA 66 CO 0.63 -0.24 0.50 0.52 0.00 0.00 0.00 179.25 180.67 1ysq h MET 67 N 0.32 1.00 -1.00 0.00 2.86 -1.93 -2.03 114.93 114.16 1ysq h MET 67 Ca 0.16 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1ysq h MET 67 Cb 0.11 -0.23 -0.05 0.00 0.06 0.00 0.00 31.60 31.50 1ysq h MET 67 CO -0.15 0.67 0.65 0.78 1.06 0.00 0.00 176.91 179.92 1ysq h GLY 68 N 1.03 1.41 1.41 8.32 0.00 -1.58 -1.64 103.07 112.02 1ysq h GLY 68 Ca 0.28 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1ysq h GLY 68 CO -0.06 0.53 -0.04 0.50 0.00 0.00 0.00 176.54 177.47 1ysq h LYS 69 N 1.35 0.72 -0.32 4.80 1.57 -0.27 -1.82 116.57 122.60 1ysq h LYS 69 Ca 0.36 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1ysq h LYS 69 Cb -0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1ysq h LYS 69 CO -0.08 0.76 0.19 0.82 -0.57 0.00 0.00 179.45 180.57 1ysq h ILE 70 N 0.67 1.04 -0.44 1.86 2.04 -0.74 0.20 117.51 122.13 1ysq h ILE 70 Ca 0.13 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1ysq h ILE 70 Cb 0.47 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1ysq h ILE 70 CO 0.02 0.07 0.20 1.88 0.00 0.00 0.00 178.15 180.32 1ysq h TYR 71 N 0.39 0.36 -0.54 1.37 0.05 -0.87 -1.84 116.97 115.88 1ysq h TYR 71 Ca 0.12 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.84 1ysq h TYR 71 Cb -0.01 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 1ysq h TYR 71 CO -0.07 0.16 0.01 0.52 -1.05 0.00 0.00 178.16 177.73 1ysq h MET 72 N 0.40 0.92 -0.22 4.88 2.86 -1.02 -2.40 114.93 120.35 1ysq h MET 72 Ca 0.20 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1ysq h MET 72 Cb 0.14 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1ysq h MET 72 CO -0.17 0.90 0.02 0.00 1.06 0.00 0.00 176.91 178.73 1ysq h ALA 73 N 1.15 1.63 -0.11 6.32 0.00 0.05 -1.86 119.26 126.44 1ysq h ALA 73 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ysq h ALA 73 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ysq h ALA 73 CO 0.02 0.28 0.00 1.19 0.00 0.00 0.00 179.25 180.75 1ysq n PHE 74 N -4.37 0.12 -1.99 0.00 3.72 -0.75 -4.61 117.46 109.57 1ysq n PHE 74 Ca 0.00 -0.06 -0.02 0.00 -0.05 0.00 0.00 57.45 57.32 1ysq n PHE 74 Cb 0.18 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.73 1ysq n PHE 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ysq n GLY 75 N 1.31 0.30 3.78 1.37 0.00 -0.70 -4.94 105.19 106.30 1ysq n GLY 75 Ca 0.16 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 1ysq n GLY 75 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ysq s HIS 76 N -0.34 3.81 0.47 1.61 2.46 -1.26 -4.98 115.29 117.06 1ysq s HIS 76 Ca 0.06 1.73 0.24 0.00 0.47 0.00 0.00 55.06 57.56 1ysq s HIS 76 Cb -0.00 -2.86 1.41 0.00 -0.13 0.00 0.00 32.58 31.00 1ysq s HIS 76 CO 0.04 0.36 2.10 -1.00 -2.47 0.00 0.00 174.74 173.77 1ysq h PRO 77 N 3.72 0.00 0.00 2.88 0.13 -1.97 -1.56 132.00 135.20 1ysq h PRO 77 Ca -0.46 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1ysq h PRO 77 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ysq h PRO 77 CO 0.66 0.10 -0.13 -0.44 -0.23 0.00 0.00 178.00 177.97 1ysq h ASP 78 N 0.00 0.00 -0.57 1.44 3.32 -2.00 -2.26 116.42 116.35 1ysq h ASP 78 Ca -0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.06 1ysq h ASP 78 Cb 0.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1ysq h ASP 78 CO 0.01 0.13 0.36 0.22 -1.72 0.00 0.00 179.24 178.24 1ysq h TYR 79 N 0.00 0.69 -0.20 4.55 3.20 -1.68 -1.84 116.97 121.69 1ysq h TYR 79 Ca -0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1ysq h TYR 79 Cb 0.24 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1ysq h TYR 79 CO 0.00 0.41 -0.05 0.28 -1.64 0.00 0.00 178.16 177.17 1ysq h VAL 80 N 0.73 1.29 -0.10 1.81 2.07 -1.51 0.41 116.25 120.95 1ysq h VAL 80 Ca 0.22 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.75 1ysq h VAL 80 Cb -0.04 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1ysq h VAL 80 CO -0.07 0.31 -0.13 0.50 0.02 0.00 0.00 177.57 178.20 1ysq h LYS 81 N 0.10 -0.17 -0.31 1.57 3.64 -1.48 -0.42 116.57 119.51 1ysq h LYS 81 Ca 0.05 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 1ysq h LYS 81 Cb 0.49 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1ysq h LYS 81 CO 0.02 -0.11 -0.24 0.77 -2.27 0.00 0.00 179.45 177.62 1ysq h SER 82 N -0.18 0.60 -0.16 4.20 0.02 -1.13 -1.72 113.55 115.19 1ysq h SER 82 Ca 0.08 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1ysq h SER 82 Cb 0.29 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1ysq h SER 82 CO -0.21 0.83 0.04 0.22 -1.14 0.00 0.00 176.83 176.58 1ysq h TYR 83 N 0.53 0.07 -0.94 3.45 3.20 0.04 -0.46 116.97 122.85 1ysq h TYR 83 Ca 0.08 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1ysq h TYR 83 Cb 0.70 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.91 1ysq h TYR 83 CO 0.03 0.03 0.58 -1.49 -1.64 0.00 0.00 178.16 175.67 1ysq h TRP 84 N 0.11 1.23 -0.55 -3.82 6.55 -0.76 0.54 115.95 119.25 1ysq h TRP 84 Ca 0.07 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.86 1ysq h TRP 84 Cb 0.06 -0.41 -0.02 0.00 -0.86 0.00 0.00 29.16 27.93 1ysq h TRP 84 CO -0.12 0.81 0.11 0.93 -1.05 0.00 0.00 178.44 179.12 1ysq h GLU 85 N 1.30 0.89 0.00 0.49 5.08 -0.93 -3.23 114.58 118.17 1ysq h GLU 85 Ca 0.34 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1ysq h GLU 85 Cb -0.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1ysq h GLU 85 CO -0.07 0.85 -0.66 -1.13 -1.00 0.00 0.00 179.01 177.00 1ysq n SER 86 N -4.39 0.64 -0.69 1.42 3.41 -0.22 -4.12 113.62 109.68 1ysq n SER 86 Ca 0.02 -0.45 0.04 0.00 -0.26 0.00 0.00 58.87 58.22 1ysq n SER 86 Cb 0.25 0.48 0.20 0.00 -0.26 0.00 0.00 64.21 64.87 1ysq n SER 86 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ysq n HIS 87 N -1.53 0.37 -0.28 7.33 8.25 0.16 -4.82 115.22 124.70 1ysq n HIS 87 Ca 0.05 -1.41 0.09 0.00 -0.26 0.00 0.00 57.72 56.19 1ysq n HIS 87 Cb 0.34 -0.31 0.32 0.00 1.12 0.00 0.00 29.99 31.47 1ysq n HIS 87 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1ysq h GLN 88 N 0.89 0.79 -0.02 -0.41 1.08 -1.71 0.24 115.11 115.98 1ysq h GLN 88 Ca 0.06 -0.05 -0.23 0.00 -1.45 0.00 0.00 58.65 56.99 1ysq h GLN 88 Cb 1.21 -0.18 0.01 0.00 -0.05 0.00 0.00 27.48 28.47 1ysq h GLN 88 CO 0.12 0.52 -0.93 1.25 -0.95 0.00 0.00 178.83 178.85 1ysq h HIS 89 N 0.82 0.73 0.00 2.96 2.76 -1.92 -3.30 115.15 117.20 1ysq h HIS 89 Ca 0.43 -0.38 -0.16 0.00 -2.20 0.00 0.00 60.37 58.06 1ysq h HIS 89 Cb 0.54 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.39 1ysq h HIS 89 CO -0.00 1.20 -0.78 0.93 -1.30 0.00 0.00 177.93 177.98 1ysq h GLU 90 N 0.30 0.00 -6.47 5.26 3.07 -1.62 -3.42 114.58 111.70 1ysq h GLU 90 Ca -0.08 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.23 1ysq h GLU 90 Cb 1.56 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.40 1ysq h GLU 90 CO 0.17 0.78 1.05 0.42 -1.40 0.00 0.00 179.01 180.03 1ysq s ILE 91 N -3.00 3.87 0.04 3.13 1.01 -0.04 -4.98 121.20 121.23 1ysq s ILE 91 Ca 0.01 0.74 0.03 0.00 0.00 0.00 0.00 60.65 61.44 1ysq s ILE 91 Cb 0.10 -4.57 -0.02 0.00 0.01 0.00 0.00 42.46 37.98 1ysq s ILE 91 CO 0.78 -1.27 -0.10 -1.10 0.00 0.00 0.00 174.94 173.25 1ysq s GLN 92 N 5.32 0.64 -1.11 2.79 -1.52 -1.26 -4.95 119.66 119.56 1ysq s GLN 92 Ca 0.48 -0.73 -0.22 0.00 -1.95 0.00 0.00 55.36 52.94 1ysq s GLN 92 Cb -0.09 -0.52 0.01 0.00 -0.22 0.00 0.00 33.01 32.18 1ysq s GLN 92 CO 0.25 0.11 1.74 -1.25 -0.25 0.00 0.00 175.29 175.89 1ysq s PRO 93 N -1.38 3.26 0.20 2.91 0.04 -1.26 -4.79 135.00 133.98 1ysq s PRO 93 Ca -0.05 -1.22 -0.10 0.00 0.04 0.00 0.00 61.00 59.67 1ysq s PRO 93 Cb -0.09 -5.33 0.12 0.00 0.04 0.00 0.00 34.50 29.25 1ysq s PRO 93 CO 0.01 -2.85 1.77 -0.07 0.04 0.00 0.00 177.00 175.90 1ysq h LEU 94 N 14.84 0.95 -9.24 -3.56 3.38 -1.92 -3.44 115.31 116.32 1ysq h LEU 94 Ca 0.26 -0.15 -0.51 0.00 0.09 0.00 0.00 57.88 57.56 1ysq h LEU 94 Cb 0.95 -0.25 -0.13 0.00 0.09 0.00 0.00 40.66 41.32 1ysq h LEU 94 CO 1.35 0.84 -0.52 0.42 0.09 0.00 0.00 178.44 180.62 1ysq s THR 95 N -5.62 0.44 -0.50 0.22 -4.23 -1.26 -4.90 115.64 99.79 1ysq s THR 95 Ca -0.13 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.55 1ysq s THR 95 Cb 0.14 -2.42 0.17 0.00 1.34 0.00 0.00 72.50 71.73 1ysq s THR 95 CO 0.81 0.00 1.51 -2.11 -0.54 0.00 0.00 174.62 174.29 1ysq n ARG 96 N -0.79 0.11 -0.00 3.99 1.85 -1.26 -2.51 116.66 118.05 1ysq n ARG 96 Ca -0.02 0.53 0.10 0.00 -1.00 0.00 0.00 57.85 57.46 1ysq n ARG 96 Cb 0.64 -1.80 -0.12 0.00 -1.05 0.00 0.00 32.46 30.13 1ysq n ARG 96 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1ysq n ASN 97 N -2.02 0.79 -4.74 2.89 3.02 -1.26 -4.99 115.26 108.94 1ysq n ASN 97 Ca 0.00 -0.74 -0.42 0.00 -0.03 0.00 0.00 54.58 53.39 1ysq n ASN 97 Cb 0.08 1.22 -0.01 0.00 -0.61 0.00 0.00 39.78 40.46 1ysq n ASN 97 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1ysq n THR 98 N -1.65 1.78 -2.95 3.41 -1.04 -1.04 -4.76 114.28 108.03 1ysq n THR 98 Ca 0.02 -0.44 -0.43 0.00 -2.04 0.00 0.00 64.05 61.15 1ysq n THR 98 Cb 0.36 -1.82 -0.05 0.00 -1.82 0.00 0.00 70.33 67.01 1ysq n THR 98 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ysq s ILE 99 N -0.86 4.55 -0.37 12.58 1.01 -1.26 -4.85 121.20 132.00 1ysq s ILE 99 Ca 0.57 0.01 0.09 0.00 0.00 0.00 0.00 60.65 61.31 1ysq s ILE 99 Cb -0.52 -4.46 -0.10 0.00 0.01 0.00 0.00 42.46 37.39 1ysq s ILE 99 CO 0.60 -1.01 0.36 0.35 0.00 0.00 0.00 174.94 175.24 1ysq n THR 100 N 5.99 0.00 -4.07 2.92 -2.24 -1.26 -4.89 114.28 110.73 1ysq n THR 100 Ca -0.01 -0.28 -0.35 0.00 -2.27 0.00 0.00 64.05 61.14 1ysq n THR 100 Cb 0.47 0.90 -0.09 0.00 -2.10 0.00 0.00 70.33 69.51 1ysq n THR 100 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ysq s GLU 101 N -1.96 3.68 0.15 -0.78 2.02 -1.26 -5.02 118.70 115.54 1ysq s GLU 101 Ca 0.02 -0.33 -0.16 0.00 0.02 0.00 0.00 54.97 54.52 1ysq s GLU 101 Cb 0.07 -3.12 0.05 0.00 0.10 0.00 0.00 34.13 31.23 1ysq s GLU 101 CO 0.37 0.44 1.75 1.25 0.02 0.00 0.00 175.26 179.10 1ysq h LEU 102 N 6.10 0.15 -0.52 1.80 5.85 -1.99 -1.26 115.31 125.44 1ysq h LEU 102 Ca -0.43 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.37 1ysq h LEU 102 Cb 1.18 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 1ysq h LEU 102 CO 0.65 0.12 0.28 -0.65 -0.34 0.00 0.00 178.44 178.51 1ysq h PRO 103 N 0.28 0.54 -1.01 5.25 0.11 -2.00 -0.58 132.00 134.60 1ysq h PRO 103 Ca 0.15 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.27 1ysq h PRO 103 Cb 0.12 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 1ysq h PRO 103 CO -0.15 0.36 0.66 0.00 -0.21 0.00 0.00 178.00 178.66 1ysq h ALA 104 N 1.26 1.34 -0.48 -0.75 0.00 -1.94 -2.17 119.26 116.51 1ysq h ALA 104 Ca 0.22 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1ysq h ALA 104 Cb 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1ysq h ALA 104 CO -0.13 0.55 0.04 1.98 0.00 0.00 0.00 179.25 181.69 1ysq h MET 105 N 1.27 0.83 -0.88 0.00 -1.53 -0.43 -1.68 114.93 112.52 1ysq h MET 105 Ca 0.40 -0.24 -0.00 0.00 -3.44 0.00 0.00 59.70 56.41 1ysq h MET 105 Cb 0.01 -0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 30.93 1ysq h MET 105 CO -0.13 0.85 0.53 0.74 0.14 0.00 0.00 176.91 179.05 1ysq h PHE 106 N 0.69 1.15 -0.25 1.39 0.04 -0.81 0.31 116.94 119.47 1ysq h PHE 106 Ca 0.14 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 1ysq h PHE 106 Cb 0.45 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1ysq h PHE 106 CO 0.03 0.76 0.13 -0.44 -0.60 0.00 0.00 178.31 178.19 1ysq h ASP 107 N 1.21 0.32 -0.37 2.17 3.32 -1.18 -0.45 116.42 121.43 1ysq h ASP 107 Ca 0.32 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.28 1ysq h ASP 107 Cb -0.06 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1ysq h ASP 107 CO -0.06 0.34 0.22 -0.08 -1.72 0.00 0.00 179.24 177.93 1ysq h GLU 108 N 0.28 0.43 -0.32 3.56 4.57 -0.71 -2.85 114.58 119.54 1ysq h GLU 108 Ca 0.09 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 1ysq h GLU 108 Cb 0.09 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1ysq h GLU 108 CO -0.01 0.29 -0.15 -0.07 -1.18 0.00 0.00 179.01 177.88 1ysq h LEU 109 N 0.45 0.56 -0.50 1.64 3.38 -0.11 -1.81 115.31 118.91 1ysq h LEU 109 Ca 0.15 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ysq h LEU 109 Cb 0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1ysq h LEU 109 CO -0.07 0.73 0.32 0.00 0.09 0.00 0.00 178.44 179.52 1ysq h ALA 110 N 1.32 0.64 -0.60 1.53 0.00 -0.95 -0.54 119.26 120.66 1ysq h ALA 110 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ysq h ALA 110 Cb 0.56 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1ysq h ALA 110 CO 0.04 0.10 0.36 0.45 0.00 0.00 0.00 179.25 180.19 1ysq h HIS 111 N 0.68 0.79 -0.42 0.00 3.86 -1.23 -1.69 115.15 117.14 1ysq h HIS 111 Ca 0.18 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1ysq h HIS 111 Cb -0.06 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.14 1ysq h HIS 111 CO -0.04 0.54 0.19 0.82 0.86 0.00 0.00 177.93 180.31 1ysq h ILE 112 N 0.81 1.18 -0.85 2.45 2.04 -1.13 -1.53 117.51 120.49 1ysq h ILE 112 Ca 0.21 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1ysq h ILE 112 Cb -0.02 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1ysq h ILE 112 CO -0.04 0.20 0.43 -0.09 0.00 0.00 0.00 178.15 178.65 1ysq h ARG 113 N 0.54 1.21 -0.04 2.37 9.65 -0.96 0.34 114.38 127.48 1ysq h ARG 113 Ca 0.14 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1ysq h ARG 113 Cb 0.14 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 28.50 1ysq h ARG 113 CO -0.02 0.91 -0.01 0.93 2.80 0.00 0.00 179.97 184.58 1ysq h GLU 114 N 1.20 0.08 0.00 0.20 5.08 -1.25 -3.33 114.58 116.55 1ysq h GLU 114 Ca 0.29 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1ysq h GLU 114 Cb 0.09 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1ysq h GLU 114 CO -0.04 0.45 -0.91 0.66 -1.00 0.00 0.00 179.01 178.17 1ysq h SER 115 N -0.29 0.00 -0.56 1.42 4.64 -1.20 -3.48 113.55 114.08 1ysq h SER 115 Ca 0.01 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 1ysq h SER 115 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1ysq h SER 115 CO 0.00 0.28 -0.12 0.61 -0.87 0.00 0.00 176.83 176.73 1ysq n GLY 116 N 1.25 0.42 3.25 -0.77 0.00 0.12 -5.04 105.19 104.41 1ysq n GLY 116 Ca -0.02 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 1ysq n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ysq s ALA 117 N -2.24 -0.79 0.12 4.61 0.00 -1.21 -4.31 121.76 117.94 1ysq s ALA 117 Ca 0.00 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.29 1ysq s ALA 117 Cb 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1ysq s ALA 117 CO 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 175.76 175.38 1ysq s ALA 118 N -1.53 1.24 0.12 0.00 0.00 -0.60 -4.32 121.76 116.66 1ysq s ALA 118 Ca -0.12 -1.41 0.07 0.00 0.00 0.00 0.00 51.96 50.50 1ysq s ALA 118 Cb -0.04 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1ysq s ALA 118 CO 0.03 -0.15 -0.17 -1.64 0.00 0.00 0.00 175.76 173.83 1ysq s MET 119 N -3.70 1.08 -0.44 0.00 -1.94 -1.26 -0.80 119.30 112.24 1ysq s MET 119 Ca 0.14 -1.21 -0.15 0.00 -1.71 0.00 0.00 55.69 52.76 1ysq s MET 119 Cb 0.03 -1.14 0.05 0.00 2.01 0.00 0.00 34.83 35.78 1ysq s MET 119 CO -0.02 0.24 0.34 0.34 -0.01 0.00 0.00 175.02 175.92 1ysq s ASP 120 N -2.23 6.09 -1.13 3.03 2.15 -0.22 -4.69 116.67 119.67 1ysq s ASP 120 Ca 0.08 -1.12 -0.07 0.00 0.43 0.00 0.00 52.55 51.87 1ysq s ASP 120 Cb -0.07 -2.16 0.27 0.00 -0.30 0.00 0.00 42.92 40.66 1ysq s ASP 120 CO 0.04 -0.54 1.43 0.54 -0.17 0.00 0.00 175.17 176.47 1ysq n ARG 121 N 5.16 4.00 -4.00 4.34 1.74 -1.26 -1.52 116.66 125.13 1ysq n ARG 121 Ca -0.12 -4.33 -0.30 0.00 -0.77 0.00 0.00 57.85 52.33 1ysq n ARG 121 Cb 0.45 -2.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.27 1ysq n ARG 121 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ysq n GLU 122 N 2.42 -4.35 0.03 5.56 1.02 -1.16 -4.86 120.64 119.30 1ysq n GLU 122 Ca 0.28 0.50 0.12 0.00 -0.02 0.00 0.00 57.16 58.04 1ysq n GLU 122 Cb 0.36 -5.17 0.18 0.00 -0.02 0.00 0.00 31.44 26.79 1ysq n GLU 122 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ysq n GLU 123 N -4.50 0.18 -0.09 3.49 1.02 -1.26 -4.35 120.64 115.12 1ysq n GLU 123 Ca -0.05 0.04 -0.16 0.00 -0.02 0.00 0.00 57.16 56.97 1ysq n GLU 123 Cb 0.56 -1.60 -0.07 0.00 -0.02 0.00 0.00 31.44 30.31 1ysq n GLU 123 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ysq n ASN 124 N -1.85 2.04 -3.72 1.62 3.02 -1.26 -4.05 115.26 111.07 1ysq n ASN 124 Ca 0.04 0.05 -0.12 0.00 -0.03 0.00 0.00 54.58 54.52 1ysq n ASN 124 Cb 0.40 -0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 1ysq n ASN 124 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1ysq s GLU 125 N -2.34 0.44 0.47 3.52 2.12 -1.26 -4.60 118.70 117.05 1ysq s GLU 125 Ca -0.24 0.67 -0.25 0.00 0.36 0.00 0.00 54.97 55.51 1ysq s GLU 125 Cb 0.08 0.12 -0.08 0.00 0.26 0.00 0.00 34.13 34.51 1ysq s GLU 125 CO 0.36 -0.10 1.42 1.28 -0.54 0.00 0.00 175.26 177.69 1ysq n LEU 126 N 3.48 5.19 0.00 2.70 4.77 -1.26 -2.04 117.00 129.84 1ysq n LEU 126 Ca -0.18 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 1ysq n LEU 126 Cb 0.56 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 1ysq n LEU 126 CO 0.11 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 1ysq n GLY 127 N 0.61 1.71 3.21 -0.72 0.00 -1.26 -5.02 105.19 103.71 1ysq n GLY 127 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1ysq n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ysq s VAL 128 N -3.22 2.24 0.19 1.61 1.01 -0.86 -1.46 120.40 119.89 1ysq s VAL 128 Ca 0.00 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.14 1ysq s VAL 128 Cb 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1ysq s VAL 128 CO 0.00 0.54 -0.16 -0.44 0.00 0.00 0.00 175.10 175.04 1ysq s SER 129 N 0.73 2.68 0.04 3.32 0.01 -0.56 -2.96 113.70 116.95 1ysq s SER 129 Ca -0.09 -0.95 -0.01 0.00 1.31 0.00 0.00 55.95 56.22 1ysq s SER 129 Cb -0.16 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 1ysq s SER 129 CO 0.00 -0.10 -0.03 0.00 0.41 0.00 0.00 173.24 173.53 1ysq s ILE 131 N -2.98 1.56 0.06 0.00 1.01 -0.60 -1.06 121.20 119.20 1ysq s ILE 131 Ca -0.02 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.88 1ysq s ILE 131 Cb 0.01 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 1ysq s ILE 131 CO -0.07 0.45 -0.09 0.00 0.00 0.00 0.00 174.94 175.23 1ysq s ALA 132 N 0.11 0.75 0.06 9.38 0.00 0.02 -0.82 121.76 131.26 1ysq s ALA 132 Ca -0.07 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.01 1ysq s ALA 132 Cb -0.13 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1ysq s ALA 132 CO 0.03 -0.02 -0.07 0.14 0.00 0.00 0.00 175.76 175.85 1ysq s VAL 133 N -1.69 0.52 0.52 0.00 -7.23 -0.29 -1.56 120.40 110.67 1ysq s VAL 133 Ca -0.05 -1.35 -0.19 0.00 -1.81 0.00 0.00 61.98 58.58 1ysq s VAL 133 Cb -0.08 -0.94 -0.07 0.00 0.56 0.00 0.00 36.38 35.86 1ysq s VAL 133 CO 0.00 -0.57 1.04 -2.16 -0.31 0.00 0.00 175.10 173.10 1ysq s PRO 134 N -2.35 3.68 -0.28 4.82 0.04 -1.26 -1.54 135.00 138.10 1ysq s PRO 134 Ca -0.03 1.27 -0.05 0.00 0.04 0.00 0.00 61.00 62.23 1ysq s PRO 134 Cb -0.05 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.43 1ysq s PRO 134 CO -0.02 -0.52 0.03 0.08 0.04 0.00 0.00 177.00 176.61 1ysq s VAL 135 N -2.18 3.53 0.20 -0.36 1.01 -0.18 -4.81 120.40 117.60 1ysq s VAL 135 Ca 0.65 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 1ysq s VAL 135 Cb -0.15 -2.84 -0.08 0.00 0.00 0.00 0.00 36.38 33.31 1ysq s VAL 135 CO 0.26 0.09 0.68 -0.36 0.00 0.00 0.00 175.10 175.76 1ysq s PHE 136 N 1.42 3.66 0.89 5.22 0.08 -1.26 -3.69 117.98 124.29 1ysq s PHE 136 Ca 0.01 1.32 -0.11 0.00 0.12 0.00 0.00 56.93 58.26 1ysq s PHE 136 Cb -0.17 -2.56 0.20 0.00 -0.57 0.00 0.00 43.02 39.91 1ysq s PHE 136 CO -0.00 0.37 1.22 -0.40 -0.10 0.00 0.00 175.22 176.31 1ysq n ASP 137 N 0.82 0.48 0.31 1.36 5.68 -0.19 -4.66 116.55 120.35 1ysq n ASP 137 Ca -0.03 -1.67 0.18 0.00 -0.50 0.00 0.00 54.79 52.76 1ysq n ASP 137 Cb 0.51 -0.89 1.02 0.00 -1.14 0.00 0.00 41.12 40.62 1ysq n ASP 137 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1ysq h ILE 138 N -1.41 0.34 -0.64 2.12 3.07 -1.90 -1.89 117.51 117.20 1ysq h ILE 138 Ca -0.40 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.01 1ysq h ILE 138 Cb 1.18 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 38.72 1ysq h ILE 138 CO 0.32 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.83 1ysq n HIS 139 N -3.57 0.85 -1.01 0.16 8.25 -1.26 -4.94 115.22 113.70 1ysq n HIS 139 Ca -0.03 -0.42 -0.00 0.00 -0.26 0.00 0.00 57.72 57.00 1ysq n HIS 139 Cb 0.09 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.20 1ysq n HIS 139 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ysq n GLY 140 N 1.57 0.41 3.89 -1.41 0.00 -0.71 -5.03 105.19 103.91 1ysq n GLY 140 Ca 0.22 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1ysq n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ysq s ARG 141 N -0.67 2.48 -0.62 1.61 0.52 -1.26 -4.83 118.95 116.18 1ysq s ARG 141 Ca 0.00 0.33 0.04 0.00 -0.52 0.00 0.00 55.73 55.58 1ysq s ARG 141 Cb 0.00 -1.99 0.16 0.00 0.52 0.00 0.00 34.95 33.64 1ysq s ARG 141 CO 0.00 -1.28 0.41 0.08 0.02 0.00 0.00 175.30 174.53 1ysq s VAL 142 N -3.44 2.60 0.02 3.52 1.01 -1.26 -1.02 120.40 121.83 1ysq s VAL 142 Ca 0.60 -3.83 0.20 0.00 0.00 0.00 0.00 61.98 58.95 1ysq s VAL 142 Cb -0.11 -2.74 0.17 0.00 0.00 0.00 0.00 36.38 33.70 1ysq s VAL 142 CO 0.51 -0.95 1.69 1.55 0.00 0.00 0.00 175.10 177.89 1ysq h PRO 143 N 5.80 0.00 -4.19 2.72 0.13 -1.94 -3.45 132.00 131.07 1ysq h PRO 143 Ca 0.08 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.07 1ysq h PRO 143 Cb 0.81 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.80 1ysq h PRO 143 CO 0.68 0.32 -0.54 0.71 -0.23 0.00 0.00 178.00 178.94 1ysq s TYR 144 N -3.41 0.61 0.07 1.56 2.02 -1.25 -2.28 117.35 114.67 1ysq s TYR 144 Ca 0.02 -1.02 -0.15 0.00 -0.37 0.00 0.00 57.07 55.55 1ysq s TYR 144 Cb 0.09 -0.31 0.03 0.00 -0.40 0.00 0.00 41.96 41.37 1ysq s TYR 144 CO 0.68 -0.56 0.35 0.00 -1.57 0.00 0.00 175.55 174.45 1ysq s ALA 145 N -3.99 -0.79 0.03 3.71 0.00 -0.72 -1.01 121.76 119.00 1ysq s ALA 145 Ca 0.18 0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.22 1ysq s ALA 145 Cb 0.06 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 1ysq s ALA 145 CO -0.02 -0.49 -0.20 0.08 0.00 0.00 0.00 175.76 175.13 1ysq s VAL 146 N -2.97 1.59 0.04 0.00 1.01 -0.59 -1.45 120.40 118.04 1ysq s VAL 146 Ca -0.02 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 1ysq s VAL 146 Cb 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1ysq s VAL 146 CO -0.06 0.25 -0.00 -0.94 0.00 0.00 0.00 175.10 174.35 1ysq s SER 147 N -0.98 0.37 -0.14 3.32 1.04 -0.14 -1.13 113.70 116.04 1ysq s SER 147 Ca 0.07 -0.80 -0.01 0.00 0.48 0.00 0.00 55.95 55.70 1ysq s SER 147 Cb -0.08 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 1ysq s SER 147 CO 0.01 -0.52 -0.12 -0.63 0.98 0.00 0.00 173.24 172.95 1ysq s ILE 148 N -3.16 3.09 -0.04 -1.02 1.01 0.00 -0.95 121.20 120.13 1ysq s ILE 148 Ca -0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 1ysq s ILE 148 Cb 0.02 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 1ysq s ILE 148 CO -0.07 0.52 0.01 -0.44 0.00 0.00 0.00 174.94 174.95 1ysq s SER 149 N 0.45 5.22 0.20 3.58 0.01 -0.84 -1.55 113.70 120.77 1ysq s SER 149 Ca -0.09 0.07 -0.23 0.00 1.31 0.00 0.00 55.95 57.01 1ysq s SER 149 Cb -0.16 -1.42 0.05 0.00 0.21 0.00 0.00 66.02 64.70 1ysq s SER 149 CO 0.05 0.32 0.80 -1.48 0.41 0.00 0.00 173.24 173.33 1ysq s LEU 150 N -1.29 -0.28 0.41 2.44 2.34 -0.82 -3.46 118.68 118.01 1ysq s LEU 150 Ca 0.17 -0.40 -0.26 0.00 0.06 0.00 0.00 54.13 53.71 1ysq s LEU 150 Cb -0.11 2.46 -0.08 0.00 -0.56 0.00 0.00 46.19 47.89 1ysq s LEU 150 CO 0.07 -1.08 1.27 -0.94 -1.06 0.00 0.00 176.35 174.62 1ysq s SER 151 N -2.86 6.31 0.30 1.48 1.04 -1.26 -1.50 113.70 117.21 1ysq s SER 151 Ca 0.09 2.59 0.01 0.00 0.48 0.00 0.00 55.95 59.12 1ysq s SER 151 Cb -0.03 -2.63 0.54 0.00 0.10 0.00 0.00 66.02 64.00 1ysq s SER 151 CO 0.01 -0.84 1.90 0.74 0.98 0.00 0.00 173.24 176.03 1ysq h THR 152 N 2.39 1.03 -0.17 2.02 2.02 -1.56 0.04 112.91 118.68 1ysq h THR 152 Ca -0.49 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 66.38 1ysq h THR 152 Cb 1.25 -0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 1ysq h THR 152 CO 0.62 0.18 -0.06 -1.28 0.37 0.00 0.00 175.52 175.35 1ysq h SER 153 N 1.01 -0.22 -0.51 4.18 0.87 -1.91 -0.98 113.55 115.99 1ysq h SER 153 Ca 0.41 0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.91 1ysq h SER 153 Cb 0.27 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1ysq h SER 153 CO -0.17 -0.08 -0.14 -0.09 -0.53 0.00 0.00 176.83 175.82 1ysq h ARG 154 N -0.03 1.01 -1.00 2.24 9.65 -1.68 -2.83 114.38 121.74 1ysq h ARG 154 Ca 0.09 -0.39 0.02 0.00 -1.10 0.00 0.00 59.98 58.60 1ysq h ARG 154 Cb 0.17 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.64 1ysq h ARG 154 CO -0.20 1.07 0.66 1.25 2.80 0.00 0.00 179.97 185.55 1ysq h LEU 155 N 0.89 1.12 -1.23 3.80 5.85 -0.63 -0.62 115.31 124.49 1ysq h LEU 155 Ca 0.13 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1ysq h LEU 155 Cb 0.71 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1ysq h LEU 155 CO 0.05 0.79 -0.00 0.11 -0.34 0.00 0.00 178.44 179.05 1ysq h LYS 156 N 1.31 0.52 -0.23 1.25 1.57 -1.07 0.20 116.57 120.12 1ysq h LYS 156 Ca 0.38 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.91 1ysq h LYS 156 Cb -0.09 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1ysq h LYS 156 CO -0.10 0.55 -0.39 1.96 -0.57 0.00 0.00 179.45 180.90 1ysq h GLN 157 N 0.50 0.67 0.01 3.15 4.20 -0.99 -3.36 115.11 119.30 1ysq h GLN 157 Ca 0.11 -0.42 -0.32 0.00 0.06 0.00 0.00 58.65 58.08 1ysq h GLN 157 Cb 0.33 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 1ysq h GLN 157 CO 0.01 1.03 -1.95 1.33 -0.67 0.00 0.00 178.83 178.58 1ysq n VAL 158 N -4.22 1.56 0.00 -0.54 0.24 -0.36 -5.10 118.33 109.92 1ysq n VAL 158 Ca -0.05 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 61.46 1ysq n VAL 158 Cb 0.53 -0.97 0.00 0.00 -1.47 0.00 0.00 33.84 31.93 1ysq n VAL 158 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ysq n GLY 159 N 1.68 1.26 0.08 7.63 0.00 0.69 -4.56 105.19 111.97 1ysq n GLY 159 Ca -0.24 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 1ysq n GLY 159 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ysq h GLU 160 N 0.00 0.15 -0.33 1.61 4.81 -1.95 -2.85 114.58 116.03 1ysq h GLU 160 Ca 0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1ysq h GLU 160 Cb 0.00 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1ysq h GLU 160 CO 0.00 0.30 -0.03 0.87 -0.73 0.00 0.00 179.01 179.42 1ysq h LYS 161 N -0.03 0.53 -0.60 1.92 1.79 -1.97 0.31 116.57 118.53 1ysq h LYS 161 Ca 0.03 -0.12 0.02 0.00 -2.18 0.00 0.00 60.65 58.40 1ysq h LYS 161 Cb 0.21 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.76 1ysq h LYS 161 CO -0.00 0.58 0.38 -0.91 -1.08 0.00 0.00 179.45 178.42 1ysq h ASN 162 N 0.50 0.63 1.09 0.86 2.35 -1.78 -2.68 115.58 116.56 1ysq h ASN 162 Ca 0.10 -0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.67 1ysq h ASN 162 Cb 0.38 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1ysq h ASN 162 CO 0.02 0.45 -0.94 -0.07 -1.65 0.00 0.00 177.43 175.23 1ysq h LEU 163 N 0.75 0.00 -1.30 1.61 3.38 -1.20 -3.32 115.31 115.23 1ysq h LEU 163 Ca 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1ysq h LEU 163 Cb -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1ysq h LEU 163 CO -0.08 0.81 0.07 0.25 0.09 0.00 0.00 178.44 179.57 1ysq h LEU 164 N 0.00 0.50 0.53 1.67 5.85 -0.16 -2.81 115.31 120.89 1ysq h LEU 164 Ca -0.05 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1ysq h LEU 164 Cb 1.65 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 1ysq h LEU 164 CO 0.10 0.52 -0.46 0.50 -0.34 0.00 0.00 178.44 178.76 1ysq h LYS 165 N 0.53 -0.94 -0.16 1.25 3.64 -1.58 0.25 116.57 119.57 1ysq h LYS 165 Ca 0.12 0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1ysq h LYS 165 Cb 0.24 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1ysq h LYS 165 CO -0.00 -0.63 -0.18 -1.00 -2.27 0.00 0.00 179.45 175.37 1ysq h PRO 166 N -0.97 0.27 -0.30 1.90 0.13 -1.77 -1.54 132.00 129.71 1ysq h PRO 166 Ca -0.06 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1ysq h PRO 166 Cb 0.83 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1ysq h PRO 166 CO -0.02 0.45 0.16 1.25 -0.23 0.00 0.00 178.00 179.61 1ysq h LEU 167 N 0.25 0.37 -0.51 1.56 5.85 -1.22 -0.43 115.31 121.19 1ysq h LEU 167 Ca 0.05 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 1ysq h LEU 167 Cb 0.48 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1ysq h LEU 167 CO 0.03 0.37 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.26 1ysq h ARG 168 N 0.36 0.99 -0.89 1.25 2.43 -0.31 -1.93 114.38 116.27 1ysq h ARG 168 Ca 0.10 -0.39 0.04 0.00 -0.81 0.00 0.00 59.98 58.93 1ysq h ARG 168 Cb 0.08 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 1ysq h ARG 168 CO -0.02 1.07 0.58 0.93 -1.51 0.00 0.00 179.97 181.02 1ysq h GLU 169 N 0.85 1.05 0.18 0.20 5.08 -1.05 0.13 114.58 121.02 1ysq h GLU 169 Ca 0.12 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1ysq h GLU 169 Cb 0.72 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ysq h GLU 169 CO 0.05 0.69 -0.09 1.15 -1.00 0.00 0.00 179.01 179.82 1ysq h THR 170 N 1.08 0.86 -0.84 1.13 2.02 -0.78 -1.95 112.91 114.43 1ysq h THR 170 Ca 0.36 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.38 1ysq h THR 170 Cb 0.07 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 1ysq h THR 170 CO -0.12 0.05 0.54 0.00 0.37 0.00 0.00 175.52 176.36 1ysq h ALA 171 N 0.46 1.10 -0.59 6.16 0.00 -0.83 -2.22 119.26 123.34 1ysq h ALA 171 Ca -0.03 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ysq h ALA 171 Cb 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1ysq h ALA 171 CO 0.04 0.39 0.39 1.96 0.00 0.00 0.00 179.25 182.03 1ysq h GLN 172 N 1.06 0.78 -0.26 0.00 4.20 -0.67 0.32 115.11 120.54 1ysq h GLN 172 Ca 0.33 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 1ysq h GLN 172 Cb -0.01 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1ysq h GLN 172 CO -0.11 0.51 0.13 0.00 -0.67 0.00 0.00 178.83 178.69 1ysq h ALA 173 N 1.22 0.33 -0.16 3.87 0.00 -1.03 0.85 119.26 124.33 1ysq h ALA 173 Ca 0.22 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1ysq h ALA 173 Cb -0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1ysq h ALA 173 CO -0.05 -0.12 0.02 0.82 0.00 0.00 0.00 179.25 179.92 1ysq h ILE 174 N 0.29 0.91 -0.70 0.00 2.04 -1.23 -0.61 117.51 118.21 1ysq h ILE 174 Ca 0.09 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.93 1ysq h ILE 174 Cb 0.10 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1ysq h ILE 174 CO -0.01 0.01 0.47 -1.28 0.00 0.00 0.00 178.15 177.34 1ysq h SER 175 N 0.08 0.81 -0.32 1.72 0.87 -0.71 0.28 113.55 116.27 1ysq h SER 175 Ca 0.07 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1ysq h SER 175 Cb 0.07 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1ysq h SER 175 CO -0.11 0.59 0.08 0.78 -0.53 0.00 0.00 176.83 177.64 1ysq h ASN 176 N 0.95 0.49 -0.49 6.23 2.35 -0.66 -0.55 115.58 123.90 1ysq h ASN 176 Ca 0.26 -0.23 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 1ysq h ASN 176 Cb -0.11 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 1ysq h ASN 176 CO -0.06 0.58 -0.01 -0.33 -1.65 0.00 0.00 177.43 175.97 1ysq h GLU 177 N 0.37 0.93 -0.24 0.81 5.08 -0.94 -2.17 114.58 118.42 1ysq h GLU 177 Ca 0.10 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1ysq h GLU 177 Cb 0.28 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1ysq h GLU 177 CO 0.00 0.93 0.10 1.25 -1.00 0.00 0.00 179.01 180.29 1ysq h LEU 178 N 0.86 0.33 -0.68 1.33 5.85 -0.78 -2.82 115.31 119.38 1ysq h LEU 178 Ca 0.16 -0.16 0.13 0.00 0.84 0.00 0.00 57.88 58.84 1ysq h LEU 178 Cb 0.52 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.38 1ysq h LEU 178 CO 0.03 0.40 0.23 1.23 -0.34 0.00 0.00 178.44 179.98 1ysq h GLY 179 N 0.24 0.97 0.95 3.75 0.00 -0.95 -1.77 103.07 106.25 1ysq h GLY 179 Ca 0.08 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.33 1ysq h GLY 179 CO -0.01 -0.10 0.42 0.74 0.00 0.00 0.00 176.54 177.59 1ysq h PHE 180 N 0.37 0.78 0.00 5.60 0.04 -1.25 -3.48 116.94 119.00 1ysq h PHE 180 Ca 0.37 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.16 1ysq h PHE 180 Cb 0.54 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1ysq h PHE 180 CO -0.20 0.47 0.00 0.25 -0.60 0.00 0.00 178.31 178.23 1ysq n THR 181 N -4.67 0.00 0.00 -1.55 -2.24 -0.67 -5.13 114.28 100.03 1ysq n THR 181 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1ysq n THR 181 Cb 0.05 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 1ysq n THR 181 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ysq n ALA 188 N -3.00 0.00 -0.30 6.98 0.00 -1.26 -5.11 120.51 117.82 1ysq n ALA 188 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1ysq n ALA 188 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.80 1ysq n ALA 188 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ysq h ILE 189 N 0.00 0.83 -0.57 0.00 1.08 -2.01 -1.77 117.51 115.07 1ysq h ILE 189 Ca 0.00 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1ysq h ILE 189 Cb 0.00 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.76 1ysq h ILE 189 CO 0.00 0.14 0.00 0.35 -0.69 0.00 0.00 178.15 177.95 1ysq n THR 190 N -4.60 0.97 1.81 -0.27 -2.24 -1.26 -5.19 114.28 103.50 1ysq n THR 190 Ca 0.19 -0.83 0.15 0.00 -2.27 0.00 0.00 64.05 61.29 1ysq n THR 190 Cb 0.47 0.29 0.79 0.00 -2.10 0.00 0.00 70.33 69.78 1ysq n THR 190 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11