#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y6l h THR 1 N 0.00 0.44 0.41 6.66 2.02 -1.93 -1.70 112.91 118.81 1y6l h THR 1 Ca 0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1y6l h THR 1 Cb 0.00 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1y6l h THR 1 CO 0.00 0.02 -0.20 0.77 0.37 0.00 0.00 175.52 176.48 1y6l h SER 2 N 0.09 -0.47 -0.26 4.18 4.64 -1.79 -1.46 113.55 118.49 1y6l h SER 2 Ca 0.33 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.55 1y6l h SER 2 Cb 0.54 0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 1y6l h SER 2 CO -0.57 -0.29 -0.11 0.00 -0.87 0.00 0.00 176.83 174.99 1y6l h ALA 3 N -0.04 1.10 0.06 5.18 0.00 -1.85 -0.79 119.26 122.93 1y6l h ALA 3 Ca -0.06 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1y6l h ALA 3 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1y6l h ALA 3 CO 0.09 0.56 -0.08 0.87 0.00 0.00 0.00 179.25 180.69 1y6l h LYS 4 N 0.61 -0.16 -0.71 0.00 6.56 -1.25 -1.04 116.57 120.57 1y6l h LYS 4 Ca 0.11 0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1y6l h LYS 4 Cb 0.54 0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.21 1y6l h LYS 4 CO 0.03 -0.11 0.43 -0.09 -2.06 0.00 0.00 179.45 177.66 1y6l h ARG 5 N -0.17 0.95 -0.07 3.15 2.43 -0.67 -1.63 114.38 118.37 1y6l h ARG 5 Ca 0.01 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1y6l h ARG 5 Cb 0.17 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1y6l h ARG 5 CO -0.03 0.66 -0.00 0.82 -1.51 0.00 0.00 179.97 179.90 1y6l h ILE 6 N 0.97 1.25 -0.69 1.20 2.04 -0.88 -0.11 117.51 121.30 1y6l h ILE 6 Ca 0.26 -0.79 0.10 0.00 1.00 0.00 0.00 64.86 65.42 1y6l h ILE 6 Cb -0.06 1.64 -0.08 0.00 -0.74 0.00 0.00 36.82 37.59 1y6l h ILE 6 CO -0.05 0.22 0.30 -0.61 0.00 0.00 0.00 178.15 178.02 1y6l h GLN 7 N -0.16 0.50 -0.50 2.37 5.75 -1.12 0.64 115.11 122.59 1y6l h GLN 7 Ca 0.02 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1y6l h GLN 7 Cb 0.35 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 1y6l h GLN 7 CO 0.00 0.33 0.30 -0.22 -2.65 0.00 0.00 178.83 176.59 1y6l h LYS 8 N 0.51 0.68 -0.07 1.69 3.64 -0.88 -1.69 116.57 120.45 1y6l h LYS 8 Ca 0.35 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.57 1y6l h LYS 8 Cb 0.42 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1y6l h LYS 8 CO -0.31 0.50 -0.40 0.93 -2.27 0.00 0.00 179.45 177.90 1y6l h GLU 9 N 0.67 0.15 -0.32 1.90 5.08 -0.72 -1.96 114.58 119.38 1y6l h GLU 9 Ca 0.18 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1y6l h GLU 9 Cb -0.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1y6l h GLU 9 CO -0.03 0.53 0.02 1.25 -1.00 0.00 0.00 179.01 179.79 1y6l h LEU 10 N 0.13 0.54 -0.77 1.33 5.85 -0.51 -1.35 115.31 120.53 1y6l h LEU 10 Ca 0.01 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1y6l h LEU 10 Cb 0.77 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1y6l h LEU 10 CO 0.06 0.69 0.44 0.00 -0.34 0.00 0.00 178.44 179.29 1y6l h ALA 11 N 0.87 0.98 0.24 1.25 0.00 -1.09 -1.10 119.26 120.42 1y6l h ALA 11 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1y6l h ALA 11 Cb 0.40 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1y6l h ALA 11 CO 0.01 0.48 -0.13 1.49 0.00 0.00 0.00 179.25 181.10 1y6l h GLU 12 N 1.06 -0.33 -0.01 0.00 4.81 -1.20 -2.21 114.58 116.70 1y6l h GLU 12 Ca 0.27 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.38 1y6l h GLU 12 Cb 0.01 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1y6l h GLU 12 CO -0.05 -0.22 -0.66 0.97 -0.73 0.00 0.00 179.01 178.32 1y6l h ILE 13 N -0.34 1.46 -0.44 2.32 2.10 -1.11 -0.97 117.51 120.53 1y6l h ILE 13 Ca -0.03 -2.23 -0.07 0.00 1.08 0.00 0.00 64.86 63.61 1y6l h ILE 13 Cb 0.27 2.20 -0.02 0.00 -1.09 0.00 0.00 36.82 38.18 1y6l h ILE 13 CO 0.04 0.64 0.01 0.74 -1.08 0.00 0.00 178.15 178.51 1y6l h THR 14 N 0.03 1.26 -0.31 2.19 2.02 -1.11 -0.56 112.91 116.43 1y6l h THR 14 Ca -0.01 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 66.08 1y6l h THR 14 Cb 1.18 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1y6l h THR 14 CO 0.09 0.35 -0.09 0.25 0.37 0.00 0.00 175.52 176.49 1y6l h LEU 15 N 0.62 0.61 -6.24 2.58 5.85 -1.12 -3.39 115.31 114.22 1y6l h LEU 15 Ca 0.13 -0.37 -0.58 0.00 0.84 0.00 0.00 57.88 57.89 1y6l h LEU 15 Cb 0.48 -0.17 -0.40 0.00 0.37 0.00 0.00 40.66 40.94 1y6l h LEU 15 CO 0.02 0.84 -0.87 0.47 -0.34 0.00 0.00 178.44 178.56 1y6l n ASP 16 N -4.45 1.48 -4.74 1.25 8.00 -0.39 -5.12 116.55 112.57 1y6l n ASP 16 Ca -0.03 -2.93 -0.34 0.00 0.71 0.00 0.00 54.79 52.20 1y6l n ASP 16 Cb 0.33 -0.65 0.07 0.00 -0.02 0.00 0.00 41.12 40.85 1y6l n ASP 16 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1y6l s PRO 17 N -1.41 2.50 0.62 -0.24 0.04 -0.22 -4.63 135.00 131.67 1y6l s PRO 17 Ca 0.35 1.67 -0.17 0.00 0.04 0.00 0.00 61.00 62.89 1y6l s PRO 17 Cb 0.12 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 1y6l s PRO 17 CO -0.10 -1.54 1.16 -2.14 0.04 0.00 0.00 177.00 174.42 1y6l s PRO 18 N -3.83 2.87 0.46 0.56 0.02 -1.26 -4.92 135.00 128.90 1y6l s PRO 18 Ca 0.73 1.64 -0.25 0.00 0.02 0.00 0.00 61.00 63.14 1y6l s PRO 18 Cb -0.27 -1.94 -0.08 0.00 0.02 0.00 0.00 34.50 32.23 1y6l s PRO 18 CO 0.41 -1.24 1.43 -2.30 -0.33 0.00 0.00 177.00 174.97 1y6l n PRO 19 N -1.95 2.22 -1.89 5.54 -0.02 -1.26 -2.40 135.00 135.23 1y6l n PRO 19 Ca 0.12 0.79 -0.16 0.00 -2.02 0.00 0.00 63.50 62.23 1y6l n PRO 19 Cb 0.51 -2.63 -0.04 0.00 -0.02 0.00 0.00 33.50 31.32 1y6l n PRO 19 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1y6l n ASN 20 N -0.24 -4.93 -3.76 2.55 5.03 -1.26 -4.96 115.26 107.68 1y6l n ASN 20 Ca 0.06 0.20 -0.13 0.00 0.87 0.00 0.00 54.58 55.57 1y6l n ASN 20 Cb 0.42 -3.96 -0.10 0.00 -1.02 0.00 0.00 39.78 35.11 1y6l n ASN 20 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1y6l s SER 22 N -0.13 0.37 -0.12 0.00 1.04 -0.60 -4.20 113.70 110.06 1y6l s SER 22 Ca -0.03 -0.84 -0.29 0.00 0.48 0.00 0.00 55.95 55.27 1y6l s SER 22 Cb -0.03 0.22 0.07 0.00 0.10 0.00 0.00 66.02 66.38 1y6l s SER 22 CO 0.01 -0.58 0.71 0.00 0.98 0.00 0.00 173.24 174.37 1y6l s ALA 23 N -3.51 -1.79 0.03 5.32 0.00 -1.26 -1.06 121.76 119.50 1y6l s ALA 23 Ca 0.03 1.52 -0.28 0.00 0.00 0.00 0.00 51.96 53.24 1y6l s ALA 23 Cb 0.05 -0.36 0.10 0.00 0.00 0.00 0.00 23.12 22.90 1y6l s ALA 23 CO -0.09 -0.36 1.23 0.20 0.00 0.00 0.00 175.76 176.74 1y6l s GLY 24 N -0.76 -0.17 0.54 0.00 0.00 -0.77 -4.87 107.32 101.29 1y6l s GLY 24 Ca -0.07 0.16 -0.22 0.00 0.00 0.00 0.00 44.72 44.59 1y6l s GLY 24 CO 0.07 3.14 1.31 -1.05 0.00 0.00 0.00 173.10 176.57 1y6l n PRO 25 N -0.72 1.64 0.18 2.90 -0.02 -1.26 -1.17 135.00 136.54 1y6l n PRO 25 Ca -0.02 0.60 0.06 0.00 -2.02 0.00 0.00 63.50 62.13 1y6l n PRO 25 Cb 0.60 -2.51 0.25 0.00 -0.02 0.00 0.00 33.50 31.82 1y6l n PRO 25 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1y6l h LYS 26 N 1.40 0.00 0.00 -0.52 1.57 -1.26 -3.44 116.57 114.33 1y6l h LYS 26 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1y6l h LYS 26 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1y6l h LYS 26 CO 0.57 0.36 0.00 0.41 -0.57 0.00 0.00 179.45 180.22 1y6l n GLY 27 N 0.61 2.08 0.28 3.86 0.00 -1.26 -5.02 105.19 105.74 1y6l n GLY 27 Ca 0.01 -0.49 0.17 0.00 0.00 0.00 0.00 46.02 45.71 1y6l n GLY 27 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1y6l h ASP 28 N 0.00 0.00 -2.43 1.61 3.32 -1.95 -3.39 116.42 113.58 1y6l h ASP 28 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1y6l h ASP 28 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1y6l h ASP 28 CO 0.00 0.00 1.16 0.21 -1.72 0.00 0.00 179.24 178.90 1y6l s ASN 29 N -5.71 5.89 0.31 6.45 3.84 -1.26 -4.85 114.94 119.61 1y6l s ASN 29 Ca 0.01 0.09 0.24 0.00 0.21 0.00 0.00 52.86 53.41 1y6l s ASN 29 Cb 0.09 -2.55 1.12 0.00 -0.55 0.00 0.00 41.25 39.36 1y6l s ASN 29 CO 0.55 -1.94 1.71 -0.29 -2.79 0.00 0.00 177.10 174.34 1y6l h ILE 30 N 6.42 0.00 -0.00 -5.21 6.09 -2.01 -2.56 117.51 120.24 1y6l h ILE 30 Ca -0.27 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 1y6l h ILE 30 Cb 1.10 0.77 0.00 0.00 0.47 0.00 0.00 36.82 39.16 1y6l h ILE 30 CO 1.22 0.00 -0.00 -1.22 -3.07 0.00 0.00 178.15 175.08 1y6l n TYR 31 N -2.30 0.00 -4.06 2.19 4.01 -1.26 -4.67 117.16 111.07 1y6l n TYR 31 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 1y6l n TYR 31 Cb 0.14 -0.48 -0.15 0.00 -0.31 0.00 0.00 39.34 38.54 1y6l n TYR 31 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1y6l s GLU 32 N -2.97 2.37 0.32 -0.72 0.41 -0.97 -1.19 118.70 115.95 1y6l s GLU 32 Ca 0.15 -1.27 0.10 0.00 -0.41 0.00 0.00 54.97 53.54 1y6l s GLU 32 Cb 0.19 -2.88 -0.05 0.00 -1.78 0.00 0.00 34.13 29.61 1y6l s GLU 32 CO 0.53 -0.53 -0.05 -1.58 -0.49 0.00 0.00 175.26 173.14 1y6l s TRP 33 N 1.15 2.49 0.17 1.61 0.52 0.34 -0.87 118.94 124.35 1y6l s TRP 33 Ca -0.07 -0.39 0.09 0.00 0.02 0.00 0.00 56.10 55.75 1y6l s TRP 33 Cb -0.19 -1.32 -0.04 0.00 -1.15 0.00 0.00 33.47 30.77 1y6l s TRP 33 CO -0.06 0.57 -0.19 0.50 0.02 0.00 0.00 176.95 177.80 1y6l s ARG 34 N -3.65 1.30 0.04 4.98 3.52 -0.32 -1.16 118.95 123.67 1y6l s ARG 34 Ca 0.33 -1.42 0.03 0.00 -0.13 0.00 0.00 55.73 54.54 1y6l s ARG 34 Cb -0.02 -1.39 -0.02 0.00 -1.56 0.00 0.00 34.95 31.96 1y6l s ARG 34 CO 0.18 0.29 -0.09 0.45 -0.81 0.00 0.00 175.30 175.32 1y6l s SER 35 N -2.65 0.99 -0.12 -2.12 0.15 -0.38 -1.84 113.70 107.72 1y6l s SER 35 Ca 0.16 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.32 1y6l s SER 35 Cb -0.06 0.00 -0.01 0.00 -1.71 0.00 0.00 66.02 64.24 1y6l s SER 35 CO 0.07 -0.14 -0.16 -0.89 1.20 0.00 0.00 173.24 173.32 1y6l s THR 36 N -1.19 2.80 -0.09 6.45 2.01 -0.22 -1.18 115.64 124.22 1y6l s THR 36 Ca -0.07 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1y6l s THR 36 Cb -0.09 -2.16 0.01 0.00 0.01 0.00 0.00 72.50 70.28 1y6l s THR 36 CO 0.01 0.53 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.71 1y6l s ILE 37 N 0.38 1.29 0.17 1.82 1.01 0.12 -1.56 121.20 124.42 1y6l s ILE 37 Ca -0.12 -0.54 -0.21 0.00 0.00 0.00 0.00 60.65 59.77 1y6l s ILE 37 Cb -0.16 -1.18 -0.08 0.00 0.01 0.00 0.00 42.46 41.05 1y6l s ILE 37 CO 0.06 0.39 0.71 -0.76 0.00 0.00 0.00 174.94 175.34 1y6l s LEU 38 N 0.86 4.47 0.29 2.97 1.43 0.20 -0.59 118.68 128.31 1y6l s LEU 38 Ca -0.10 1.46 -0.30 0.00 -1.03 0.00 0.00 54.13 54.16 1y6l s LEU 38 Cb -0.15 -3.33 -0.12 0.00 0.03 0.00 0.00 46.19 42.62 1y6l s LEU 38 CO 0.01 0.15 1.60 0.61 0.23 0.00 0.00 176.35 178.95 1y6l n GLY 39 N 1.24 1.35 3.62 -3.19 0.00 -0.11 -4.88 105.19 103.23 1y6l n GLY 39 Ca -0.05 0.47 -0.46 0.00 0.00 0.00 0.00 46.02 45.97 1y6l n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1y6l n PRO 40 N 2.20 1.56 -1.83 1.61 -0.02 -1.26 -4.35 135.00 132.90 1y6l n PRO 40 Ca 0.09 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 1y6l n PRO 40 Cb 0.37 -2.08 -0.01 0.00 -0.02 0.00 0.00 33.50 31.76 1y6l n PRO 40 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1y6l s PRO 41 N -0.78 4.14 -1.70 0.52 0.02 -1.26 -1.85 135.00 134.10 1y6l s PRO 41 Ca 0.67 2.53 0.00 0.00 0.02 0.00 0.00 61.00 64.22 1y6l s PRO 41 Cb -0.73 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 30.79 1y6l s PRO 41 CO 0.54 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 177.10 1y6l n GLY 42 N 0.98 -0.23 3.80 0.52 0.00 -1.26 -4.99 105.19 104.00 1y6l n GLY 42 Ca 0.03 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1y6l n GLY 42 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y6l s SER 43 N -2.18 4.69 0.52 1.61 1.04 -0.77 -5.00 113.70 113.60 1y6l s SER 43 Ca 0.00 -0.95 0.33 0.00 0.48 0.00 0.00 55.95 55.82 1y6l s SER 43 Cb 0.00 -0.49 1.82 0.00 0.10 0.00 0.00 66.02 67.45 1y6l s SER 43 CO 0.00 -0.61 2.02 -0.37 0.98 0.00 0.00 173.24 175.27 1y6l h VAL 44 N 1.24 0.00 -0.19 5.02 -1.51 -1.90 -2.51 116.25 116.41 1y6l h VAL 44 Ca -0.42 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 1y6l h VAL 44 Cb 1.26 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1y6l h VAL 44 CO 0.64 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.76 1y6l n TYR 45 N -2.70 0.22 -1.58 5.19 4.01 -1.26 -3.91 117.16 117.13 1y6l n TYR 45 Ca -0.02 -0.11 -0.46 0.00 -0.16 0.00 0.00 57.90 57.14 1y6l n TYR 45 Cb 0.09 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.09 1y6l n TYR 45 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1y6l n GLU 46 N 1.41 1.21 0.00 -0.72 2.13 -0.95 -0.77 120.64 122.95 1y6l n GLU 46 Ca 0.16 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.41 1y6l n GLU 46 Cb 0.60 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.48 1y6l n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1y6l n GLY 47 N 1.62 2.89 3.81 8.31 0.00 -1.26 -4.95 105.19 115.62 1y6l n GLY 47 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1y6l n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y6l s GLY 48 N -1.58 2.43 -0.18 -0.02 0.00 0.05 -4.75 107.32 103.27 1y6l s GLY 48 Ca 0.00 0.46 0.01 0.00 0.00 0.00 0.00 44.72 45.18 1y6l s GLY 48 CO 0.00 0.75 -0.18 0.14 0.00 0.00 0.00 173.10 173.81 1y6l s VAL 49 N -2.11 1.93 -0.11 1.40 1.01 0.17 -0.93 120.40 121.75 1y6l s VAL 49 Ca 0.63 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1y6l s VAL 49 Cb -0.11 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 1y6l s VAL 49 CO 0.15 0.49 -0.14 -0.36 0.00 0.00 0.00 175.10 175.24 1y6l s PHE 50 N 1.34 2.77 -0.06 5.22 0.08 0.24 -4.70 117.98 122.86 1y6l s PHE 50 Ca 0.04 -0.52 -0.04 0.00 0.12 0.00 0.00 56.93 56.54 1y6l s PHE 50 Cb -0.13 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 1y6l s PHE 50 CO -0.12 -0.10 0.12 -0.06 -0.10 0.00 0.00 175.22 174.96 1y6l s PHE 51 N 0.03 3.46 0.09 0.36 0.08 -1.26 -0.70 117.98 120.04 1y6l s PHE 51 Ca -0.05 0.37 0.07 0.00 0.12 0.00 0.00 56.93 57.45 1y6l s PHE 51 Cb -0.14 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1y6l s PHE 51 CO 0.04 0.64 -0.19 -0.51 -0.10 0.00 0.00 175.22 175.10 1y6l s LEU 52 N -1.39 2.28 -0.10 -0.37 1.02 -0.33 -0.11 118.68 119.68 1y6l s LEU 52 Ca 0.20 -0.65 -0.02 0.00 0.02 0.00 0.00 54.13 53.68 1y6l s LEU 52 Cb -0.12 -0.79 -0.03 0.00 0.02 0.00 0.00 46.19 45.27 1y6l s LEU 52 CO 0.10 0.03 -0.02 -1.81 0.02 0.00 0.00 176.35 174.67 1y6l s ASP 53 N -1.78 5.06 -0.09 2.29 1.01 -0.35 -1.25 116.67 121.56 1y6l s ASP 53 Ca 0.04 0.05 0.02 0.00 0.71 0.00 0.00 52.55 53.37 1y6l s ASP 53 Cb -0.10 -1.51 0.01 0.00 1.01 0.00 0.00 42.92 42.33 1y6l s ASP 53 CO 0.03 0.32 -0.14 -0.63 0.21 0.00 0.00 175.17 174.97 1y6l s ILE 54 N -0.53 1.30 -0.14 0.77 1.01 -0.31 -1.40 121.20 121.91 1y6l s ILE 54 Ca 0.09 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.21 1y6l s ILE 54 Cb -0.12 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.17 1y6l s ILE 54 CO 0.02 0.40 -0.20 -0.89 0.00 0.00 0.00 174.94 174.26 1y6l s THR 55 N 0.85 1.94 0.04 2.92 2.01 -0.21 -0.51 115.64 122.69 1y6l s THR 55 Ca -0.10 -0.90 -0.14 0.00 0.31 0.00 0.00 61.69 60.85 1y6l s THR 55 Cb -0.15 -1.73 -0.06 0.00 0.01 0.00 0.00 72.50 70.57 1y6l s THR 55 CO 0.01 0.53 0.44 -0.36 -0.69 0.00 0.00 174.62 174.55 1y6l s PHE 56 N 0.90 3.69 0.53 4.92 0.08 -0.33 -0.72 117.98 127.05 1y6l s PHE 56 Ca -0.06 0.98 -0.17 0.00 0.12 0.00 0.00 56.93 57.80 1y6l s PHE 56 Cb -0.15 -2.29 -0.07 0.00 -0.57 0.00 0.00 43.02 39.95 1y6l s PHE 56 CO -0.03 0.58 1.02 0.45 -0.10 0.00 0.00 175.22 177.14 1y6l s SER 57 N -1.33 6.30 0.62 1.36 0.15 -1.26 -4.86 113.70 114.67 1y6l s SER 57 Ca 0.28 1.72 0.33 0.00 0.70 0.00 0.00 55.95 58.98 1y6l s SER 57 Cb -0.16 -2.53 1.86 0.00 -1.71 0.00 0.00 66.02 63.48 1y6l s SER 57 CO 0.16 -0.81 2.17 -0.65 1.20 0.00 0.00 173.24 175.31 1y6l h PRO 58 N 0.92 0.00 -3.64 5.44 0.11 -1.99 -2.28 132.00 130.55 1y6l h PRO 58 Ca -0.47 0.00 -0.78 0.00 0.11 0.00 0.00 66.00 64.86 1y6l h PRO 58 Cb 1.20 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.03 1y6l h PRO 58 CO 0.60 0.00 0.21 -0.51 -0.21 0.00 0.00 178.00 178.08 1y6l s ASP 59 N -5.58 6.84 0.04 -2.05 -0.00 -1.26 -4.53 116.67 110.12 1y6l s ASP 59 Ca -0.05 -3.22 0.08 0.00 -0.00 0.00 0.00 52.55 49.36 1y6l s ASP 59 Cb 0.14 -2.16 -0.02 0.00 -0.00 0.00 0.00 42.92 40.88 1y6l s ASP 59 CO 0.49 -0.39 -0.22 -0.47 -0.00 0.00 0.00 175.17 174.58 1y6l s TYR 60 N -0.65 1.91 -0.94 4.23 5.04 -0.86 -3.04 117.35 123.04 1y6l s TYR 60 Ca 0.25 -0.38 0.10 0.00 -2.44 0.00 0.00 57.07 54.60 1y6l s TYR 60 Cb -0.10 -1.15 0.47 0.00 0.35 0.00 0.00 41.96 41.52 1y6l s TYR 60 CO -0.09 0.08 1.28 -0.35 -1.34 0.00 0.00 175.55 175.13 1y6l n PRO 61 N 1.93 3.01 0.00 4.97 -0.04 -1.26 -3.29 135.00 140.32 1y6l n PRO 61 Ca -0.17 -1.83 0.14 0.00 -0.04 0.00 0.00 63.50 61.60 1y6l n PRO 61 Cb 0.53 -1.80 0.57 0.00 -0.04 0.00 0.00 33.50 32.76 1y6l n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1y6l n PHE 62 N 0.50 0.00 -4.51 0.54 3.01 -1.26 -3.94 117.46 111.80 1y6l n PHE 62 Ca 0.16 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.42 1y6l n PHE 62 Cb 0.70 -0.09 -0.15 0.00 -0.01 0.00 0.00 39.48 39.93 1y6l n PHE 62 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1y6l s LYS 63 N -2.29 0.94 0.67 -1.08 -0.14 -1.17 -4.96 119.74 111.72 1y6l s LYS 63 Ca 0.33 -0.41 -0.16 0.00 -1.36 0.00 0.00 55.97 54.37 1y6l s LYS 63 Cb 0.20 -0.91 0.00 0.00 -1.68 0.00 0.00 37.83 35.45 1y6l s LYS 63 CO 0.43 0.25 1.14 -1.25 -0.76 0.00 0.00 175.35 175.16 1y6l s PRO 64 N -0.26 2.66 0.64 -1.68 0.04 -1.26 -4.67 135.00 130.47 1y6l s PRO 64 Ca 0.04 1.54 -0.16 0.00 0.04 0.00 0.00 61.00 62.47 1y6l s PRO 64 Cb -0.05 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1y6l s PRO 64 CO -0.00 -1.39 1.12 -1.25 0.04 0.00 0.00 177.00 175.52 1y6l s PRO 65 N -3.93 2.85 -0.30 0.56 0.04 -1.26 -4.74 135.00 128.22 1y6l s PRO 65 Ca 0.70 1.46 -0.23 0.00 0.04 0.00 0.00 61.00 62.97 1y6l s PRO 65 Cb -0.24 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 1y6l s PRO 65 CO 0.41 -1.22 0.75 0.21 0.04 0.00 0.00 177.00 177.18 1y6l s LYS 66 N -3.94 3.97 -0.13 4.56 2.20 0.11 -4.94 119.74 121.56 1y6l s LYS 66 Ca 0.69 0.53 0.00 0.00 -0.36 0.00 0.00 55.97 56.83 1y6l s LYS 66 Cb -0.22 -3.72 0.02 0.00 -1.51 0.00 0.00 37.83 32.41 1y6l s LYS 66 CO 0.39 -0.63 -0.12 0.08 -0.36 0.00 0.00 175.35 174.71 1y6l s VAL 67 N 2.85 1.35 0.04 4.02 1.01 -1.26 -1.05 120.40 127.36 1y6l s VAL 67 Ca 0.30 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1y6l s VAL 67 Cb -0.14 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1y6l s VAL 67 CO 0.12 0.42 -0.13 0.42 0.00 0.00 0.00 175.10 175.93 1y6l s THR 68 N 1.53 1.01 -0.02 3.92 -4.23 -0.49 -4.34 115.64 113.01 1y6l s THR 68 Ca 0.04 -1.03 -0.30 0.00 -1.18 0.00 0.00 61.69 59.22 1y6l s THR 68 Cb -0.13 -0.94 -0.05 0.00 1.34 0.00 0.00 72.50 72.72 1y6l s THR 68 CO -0.09 -0.08 1.36 -0.36 -0.54 0.00 0.00 174.62 174.91 1y6l s PHE 69 N -0.95 2.90 0.00 3.99 0.40 0.75 -1.21 117.98 123.86 1y6l s PHE 69 Ca -0.00 0.90 -0.02 0.00 -0.60 0.00 0.00 56.93 57.20 1y6l s PHE 69 Cb -0.08 -3.61 -0.27 0.00 0.51 0.00 0.00 43.02 39.57 1y6l s PHE 69 CO 0.01 -2.20 0.86 -0.09 0.70 0.00 0.00 175.22 174.50 1y6l h ARG 70 N 7.81 0.23 -6.37 0.44 2.43 -0.84 -3.36 114.38 114.73 1y6l h ARG 70 Ca -0.37 -0.40 -0.54 0.00 -0.81 0.00 0.00 59.98 57.86 1y6l h ARG 70 Cb 1.17 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 1y6l h ARG 70 CO 0.90 1.09 0.34 0.99 -1.51 0.00 0.00 179.97 181.78 1y6l s THR 71 N -2.62 4.89 0.19 0.20 2.01 -1.01 -4.97 115.64 114.33 1y6l s THR 71 Ca -0.09 1.99 -0.32 0.00 0.31 0.00 0.00 61.69 63.59 1y6l s THR 71 Cb 0.07 -4.29 -0.11 0.00 0.01 0.00 0.00 72.50 68.18 1y6l s THR 71 CO 0.85 0.17 1.65 -0.60 -0.69 0.00 0.00 174.62 176.00 1y6l s ARG 72 N 0.98 4.16 0.01 4.92 6.06 -1.26 -4.89 118.95 128.93 1y6l s ARG 72 Ca 0.50 2.50 0.01 0.00 -2.50 0.00 0.00 55.73 56.24 1y6l s ARG 72 Cb -0.21 -3.10 -0.01 0.00 0.06 0.00 0.00 34.95 31.69 1y6l s ARG 72 CO 0.27 -0.68 -0.03 -1.50 -2.50 0.00 0.00 175.30 170.85 1y6l s ILE 73 N 1.10 0.19 -0.49 4.11 2.07 -1.26 -4.71 121.20 122.21 1y6l s ILE 73 Ca 0.72 -0.51 -0.18 0.00 -1.41 0.00 0.00 60.65 59.27 1y6l s ILE 73 Cb -0.47 -0.24 0.06 0.00 0.13 0.00 0.00 42.46 41.94 1y6l s ILE 73 CO 0.32 -0.21 0.53 -0.47 -1.91 0.00 0.00 174.94 173.20 1y6l s TYR 74 N -0.73 3.13 -0.28 3.50 5.04 -1.26 -4.90 117.35 121.86 1y6l s TYR 74 Ca -0.07 -0.68 -0.20 0.00 -2.44 0.00 0.00 57.07 53.68 1y6l s TYR 74 Cb -0.05 -3.37 0.08 0.00 0.35 0.00 0.00 41.96 38.98 1y6l s TYR 74 CO -0.00 -0.93 0.75 -1.58 -1.34 0.00 0.00 175.55 172.45 1y6l s HIS 75 N 2.22 -0.88 -0.70 4.97 2.46 -1.26 -4.76 115.29 117.34 1y6l s HIS 75 Ca 0.11 1.91 0.18 0.00 0.47 0.00 0.00 55.06 57.73 1y6l s HIS 75 Cb -0.21 0.46 0.79 0.00 -0.13 0.00 0.00 32.58 33.49 1y6l s HIS 75 CO 0.10 -0.43 1.56 0.00 -2.47 0.00 0.00 174.74 173.50 1y6l n ASN 77 N -1.90 2.62 -3.89 0.00 4.13 -1.26 0.88 115.26 115.84 1y6l n ASN 77 Ca 0.02 -1.82 -0.25 0.00 1.68 0.00 0.00 54.58 54.21 1y6l n ASN 77 Cb 0.18 -0.16 -0.17 0.00 -1.54 0.00 0.00 39.78 38.09 1y6l n ASN 77 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1y6l s ILE 78 N -0.99 0.85 0.17 2.41 1.01 -0.97 -0.19 121.20 123.50 1y6l s ILE 78 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1y6l s ILE 78 Cb 0.12 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.73 1y6l s ILE 78 CO 0.16 0.33 0.23 -0.46 0.00 0.00 0.00 174.94 175.20 1y6l n ASN 79 N 4.78 0.36 0.26 3.58 0.23 -0.59 -4.37 115.26 119.51 1y6l n ASN 79 Ca -0.14 -1.29 0.17 0.00 -0.53 0.00 0.00 54.58 52.79 1y6l n ASN 79 Cb 0.50 -0.15 0.74 0.00 -2.08 0.00 0.00 39.78 38.79 1y6l n ASN 79 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1y6l h SER 80 N -0.12 0.00 -0.11 0.53 4.64 -1.91 -1.33 113.55 115.26 1y6l h SER 80 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1y6l h SER 80 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1y6l h SER 80 CO 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 1y6l n GLN 81 N -2.89 1.80 -1.02 4.77 1.13 -1.26 -4.93 117.38 114.98 1y6l n GLN 81 Ca 0.00 -1.19 -0.01 0.00 -1.94 0.00 0.00 57.00 53.87 1y6l n GLN 81 Cb 0.24 -1.44 -0.00 0.00 0.11 0.00 0.00 30.24 29.14 1y6l n GLN 81 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1y6l n GLY 82 N 1.19 0.45 3.74 1.08 0.00 -0.50 -4.74 105.19 106.42 1y6l n GLY 82 Ca 0.17 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1y6l n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y6l s VAL 83 N -1.87 3.11 -0.19 1.61 1.01 -1.26 -0.18 120.40 122.64 1y6l s VAL 83 Ca 0.00 0.93 -0.06 0.00 0.00 0.00 0.00 61.98 62.85 1y6l s VAL 83 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1y6l s VAL 83 CO 0.00 0.15 0.02 -0.63 0.00 0.00 0.00 175.10 174.63 1y6l s ILE 84 N 0.01 4.23 -0.61 2.22 1.01 -1.26 -1.54 121.20 125.26 1y6l s ILE 84 Ca 0.56 -0.23 -0.21 0.00 0.00 0.00 0.00 60.65 60.78 1y6l s ILE 84 Cb -0.37 -2.90 0.08 0.00 0.01 0.00 0.00 42.46 39.28 1y6l s ILE 84 CO 0.40 0.45 0.82 0.00 0.00 0.00 0.00 174.94 176.60 1y6l s LEU 86 N 3.33 0.27 0.26 0.00 2.96 -1.26 -4.93 118.68 119.32 1y6l s LEU 86 Ca 0.17 0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 54.49 1y6l s LEU 86 Cb -0.20 0.51 0.49 0.00 0.50 0.00 0.00 46.19 47.49 1y6l s LEU 86 CO 0.09 -0.19 1.81 -2.24 -1.32 0.00 0.00 176.35 174.50 1y6l h ASP 87 N 7.67 0.77 0.83 3.68 2.03 -1.96 -0.11 116.42 129.34 1y6l h ASP 87 Ca -0.31 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 1y6l h ASP 87 Cb 1.13 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 1y6l h ASP 87 CO 0.30 0.41 0.00 2.30 -1.03 0.00 0.00 179.24 181.22 1y6l n ILE 88 N -4.70 0.79 1.33 4.15 -5.35 -1.26 -0.55 119.36 113.76 1y6l n ILE 88 Ca 0.16 0.14 0.13 0.00 -0.27 0.00 0.00 62.75 62.92 1y6l n ILE 88 Cb 0.33 -1.03 0.47 0.00 -1.74 0.00 0.00 39.64 37.67 1y6l n ILE 88 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1y6l n LEU 89 N -2.14 0.87 0.00 7.28 4.77 -0.06 -3.42 117.00 124.30 1y6l n LEU 89 Ca 0.03 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1y6l n LEU 89 Cb 0.26 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1y6l n LEU 89 CO 0.21 0.16 0.00 1.17 -1.33 0.00 0.00 177.39 177.60 1y6l n LYS 90 N -0.68 0.00 0.29 3.23 3.00 -0.31 -4.83 118.16 118.86 1y6l n LYS 90 Ca 0.14 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.62 1y6l n LYS 90 Cb 0.32 0.00 0.97 0.00 0.00 0.00 0.00 35.03 36.32 1y6l n LYS 90 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1y6l h ASP 91 N 0.00 0.00 -0.50 3.14 3.32 -1.85 -1.57 116.42 118.96 1y6l h ASP 91 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1y6l h ASP 91 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1y6l h ASP 91 CO 0.00 0.00 0.00 -3.20 -1.72 0.00 0.00 179.24 174.32 1y6l n ASN 92 N -3.63 3.66 -4.77 6.45 5.15 0.29 -4.91 115.26 117.50 1y6l n ASN 92 Ca -0.02 -2.31 -0.41 0.00 -0.60 0.00 0.00 54.58 51.25 1y6l n ASN 92 Cb 0.14 -0.49 -0.02 0.00 -0.53 0.00 0.00 39.78 38.88 1y6l n ASN 92 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 1y6l s TRP 93 N -1.73 3.01 0.03 1.20 -0.11 -0.59 -4.49 118.94 116.25 1y6l s TRP 93 Ca 0.39 1.40 0.03 0.00 1.22 0.00 0.00 56.10 59.13 1y6l s TRP 93 Cb 0.24 -3.70 -0.02 0.00 -1.50 0.00 0.00 33.47 28.49 1y6l s TRP 93 CO 0.19 -1.94 -0.09 0.45 -4.62 0.00 0.00 176.95 170.94 1y6l s SER 94 N -0.47 1.07 0.03 5.86 0.15 -1.26 -5.01 113.70 114.07 1y6l s SER 94 Ca 0.49 -0.38 0.04 0.00 0.70 0.00 0.00 55.95 56.80 1y6l s SER 94 Cb -0.40 -0.05 0.18 0.00 -1.71 0.00 0.00 66.02 64.04 1y6l s SER 94 CO 0.54 -0.04 1.11 -2.65 1.20 0.00 0.00 173.24 173.40 1y6l n PRO 95 N 2.06 0.02 0.06 5.44 -0.02 -1.25 -0.26 135.00 141.05 1y6l n PRO 95 Ca -0.18 0.49 0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1y6l n PRO 95 Cb 0.56 -1.55 0.45 0.00 -0.02 0.00 0.00 33.50 32.93 1y6l n PRO 95 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y6l n ALA 96 N -1.53 1.91 -1.94 3.55 0.00 -1.26 -4.85 120.51 116.39 1y6l n ALA 96 Ca 0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.16 1y6l n ALA 96 Cb 0.02 -1.38 0.11 0.00 0.00 0.00 0.00 19.45 18.21 1y6l n ALA 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1y6l s LEU 97 N -3.80 2.79 0.17 0.00 1.43 0.65 -5.11 118.68 114.80 1y6l s LEU 97 Ca 0.08 0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 53.40 1y6l s LEU 97 Cb 0.12 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 1y6l s LEU 97 CO 0.42 -2.01 0.21 0.42 0.23 0.00 0.00 176.35 175.62 1y6l s THR 98 N -3.45 0.05 0.44 5.49 -4.23 -1.26 -5.02 115.64 107.67 1y6l s THR 98 Ca 0.66 -1.68 0.11 0.00 -1.18 0.00 0.00 61.69 59.59 1y6l s THR 98 Cb -0.08 -2.09 0.23 0.00 1.34 0.00 0.00 72.50 71.91 1y6l s THR 98 CO 0.47 -0.25 2.04 -0.29 -0.54 0.00 0.00 174.62 176.06 1y6l h ILE 99 N 2.62 1.10 -0.36 2.99 6.09 -1.99 -1.63 117.51 126.33 1y6l h ILE 99 Ca -0.33 -0.32 0.01 0.00 -1.37 0.00 0.00 64.86 62.85 1y6l h ILE 99 Cb 1.23 0.88 -0.02 0.00 0.47 0.00 0.00 36.82 39.37 1y6l h ILE 99 CO 0.51 0.12 0.22 0.28 -3.07 0.00 0.00 178.15 176.20 1y6l h SER 100 N 0.28 0.36 -0.77 2.19 0.02 -1.96 0.64 113.55 114.31 1y6l h SER 100 Ca 0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1y6l h SER 100 Cb 0.10 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1y6l h SER 100 CO -0.01 0.26 0.44 0.11 -1.14 0.00 0.00 176.83 176.49 1y6l h LYS 101 N 0.44 1.06 -0.07 3.45 1.79 -1.81 0.19 116.57 121.62 1y6l h LYS 101 Ca 0.14 -0.11 0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1y6l h LYS 101 Cb -0.01 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.41 1y6l h LYS 101 CO -0.06 0.77 -0.03 0.28 -1.08 0.00 0.00 179.45 179.33 1y6l h VAL 102 N 1.06 0.90 -0.27 0.50 2.07 -1.00 -1.16 116.25 118.34 1y6l h VAL 102 Ca 0.27 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.64 1y6l h VAL 102 Cb 0.00 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1y6l h VAL 102 CO -0.05 0.00 -0.45 -0.07 0.02 0.00 0.00 177.57 177.02 1y6l h LEU 103 N -0.02 0.76 -0.52 2.57 3.38 -0.36 0.40 115.31 121.52 1y6l h LEU 103 Ca 0.04 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.72 1y6l h LEU 103 Cb 0.08 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 1y6l h LEU 103 CO -0.09 1.10 0.18 -0.07 0.09 0.00 0.00 178.44 179.65 1y6l h LEU 104 N 0.56 0.19 -0.38 1.67 3.38 -0.88 0.86 115.31 120.71 1y6l h LEU 104 Ca 0.04 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1y6l h LEU 104 Cb 1.00 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1y6l h LEU 104 CO 0.09 0.13 0.18 -1.28 0.09 0.00 0.00 178.44 177.65 1y6l h SER 105 N 0.36 0.50 -0.42 -0.43 0.87 -0.45 -0.25 113.55 113.74 1y6l h SER 105 Ca 0.25 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1y6l h SER 105 Cb 0.27 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1y6l h SER 105 CO -0.26 0.50 0.28 0.40 -0.53 0.00 0.00 176.83 177.22 1y6l h ILE 106 N 0.48 1.11 -0.67 2.23 2.04 -0.54 -0.02 117.51 122.14 1y6l h ILE 106 Ca 0.13 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.87 1y6l h ILE 106 Cb 0.13 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 1y6l h ILE 106 CO -0.02 0.10 0.33 0.00 0.00 0.00 0.00 178.15 178.57 1y6l h SER 108 N 0.59 0.97 -0.48 0.00 0.87 -0.48 -2.54 113.55 112.47 1y6l h SER 108 Ca 0.32 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.77 1y6l h SER 108 Cb 0.30 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1y6l h SER 108 CO -0.24 0.74 0.09 0.25 -0.53 0.00 0.00 176.83 177.13 1y6l h LEU 109 N 1.12 0.80 -1.39 2.23 5.85 -0.26 0.39 115.31 124.06 1y6l h LEU 109 Ca 0.29 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1y6l h LEU 109 Cb -0.06 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1y6l h LEU 109 CO -0.06 0.81 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.56 1y6l h LEU 110 N 0.81 0.00 0.17 2.25 3.38 -0.97 -2.82 115.31 118.13 1y6l h LEU 110 Ca 0.17 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.88 1y6l h LEU 110 Cb 0.36 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.13 1y6l h LEU 110 CO 0.01 0.22 -1.19 0.74 0.09 0.00 0.00 178.44 178.31 1y6l h THR 111 N 0.00 1.31 -3.05 0.22 2.02 -0.97 -3.44 112.91 109.01 1y6l h THR 111 Ca -0.00 -2.56 -0.48 0.00 0.77 0.00 0.00 66.41 64.14 1y6l h THR 111 Cb 0.62 3.04 -0.41 0.00 -1.74 0.00 0.00 68.15 69.65 1y6l h THR 111 CO 0.03 0.75 -0.76 -1.81 0.37 0.00 0.00 175.52 174.10 1y6l s ASP 112 N -7.18 2.63 0.96 4.18 1.01 0.06 -5.02 116.67 113.31 1y6l s ASP 112 Ca -0.14 -0.76 -0.12 0.00 0.71 0.00 0.00 52.55 52.24 1y6l s ASP 112 Cb 0.03 -0.32 0.17 0.00 1.01 0.00 0.00 42.92 43.80 1y6l s ASP 112 CO 0.85 -0.36 1.09 0.00 0.21 0.00 0.00 175.17 176.97 1y6l s ASN 114 N -3.43 5.15 0.51 0.00 0.01 -1.26 -4.93 114.94 110.99 1y6l s ASN 114 Ca 0.65 -3.71 0.32 0.00 -0.71 0.00 0.00 52.86 49.40 1y6l s ASN 114 Cb -0.18 -1.73 1.30 0.00 0.41 0.00 0.00 41.25 41.05 1y6l s ASN 114 CO 0.57 -0.14 1.94 1.55 -1.51 0.00 0.00 177.10 179.52 1y6l h PRO 115 N 5.73 0.00 0.00 -0.60 0.13 -1.95 -1.76 132.00 133.54 1y6l h PRO 115 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1y6l h PRO 115 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1y6l h PRO 115 CO 0.76 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.53 1y6l h ALA 116 N 2.04 1.00 -2.09 -0.56 0.00 -1.95 -3.31 119.26 114.39 1y6l h ALA 116 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1y6l h ALA 116 Cb 0.50 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.89 1y6l h ALA 116 CO 0.00 0.00 -0.91 -0.25 0.00 0.00 0.00 179.25 178.09 1y6l n ASP 117 N -2.61 1.88 -4.93 0.00 8.00 -0.66 -5.11 116.55 113.11 1y6l n ASP 117 Ca 0.03 -3.08 -0.26 0.00 0.71 0.00 0.00 54.79 52.19 1y6l n ASP 117 Cb 0.33 -0.64 0.01 0.00 -0.02 0.00 0.00 41.12 40.80 1y6l n ASP 117 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1y6l s PRO 118 N -2.02 3.28 -0.20 -0.24 0.04 -1.24 -4.91 135.00 129.71 1y6l s PRO 118 Ca 0.39 -0.09 0.05 0.00 0.04 0.00 0.00 61.00 61.38 1y6l s PRO 118 Cb 0.20 -2.44 -0.21 0.00 0.04 0.00 0.00 34.50 32.09 1y6l s PRO 118 CO -0.08 -0.27 0.02 -0.11 0.04 0.00 0.00 177.00 176.60 1y6l n LEU 119 N -2.21 2.06 -4.16 -3.56 7.94 0.25 -4.74 117.00 112.58 1y6l n LEU 119 Ca 0.01 -0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.52 1y6l n LEU 119 Cb 0.56 -0.53 -0.09 0.00 0.53 0.00 0.00 43.42 43.89 1y6l n LEU 119 CO 0.51 0.78 0.01 -0.69 -1.11 0.00 0.00 177.39 176.89 1y6l s VAL 120 N -2.53 3.98 0.20 1.96 1.01 0.30 -4.98 120.40 120.35 1y6l s VAL 120 Ca -0.25 -2.32 -0.11 0.00 0.00 0.00 0.00 61.98 59.30 1y6l s VAL 120 Cb 0.08 -3.61 0.13 0.00 0.00 0.00 0.00 36.38 32.98 1y6l s VAL 120 CO 0.70 -0.82 1.85 1.23 0.00 0.00 0.00 175.10 178.06 1y6l h GLY 121 N 7.80 0.96 0.92 4.51 0.00 -1.85 -1.95 103.07 113.47 1y6l h GLY 121 Ca -0.09 -0.33 0.11 0.00 0.00 0.00 0.00 47.33 47.01 1y6l h GLY 121 CO 0.76 0.29 0.46 1.48 0.00 0.00 0.00 176.54 179.53 1y6l h SER 122 N 0.85 0.46 0.43 0.19 4.64 -1.97 -0.33 113.55 117.83 1y6l h SER 122 Ca 0.26 0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.37 1y6l h SER 122 Cb -0.02 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1y6l h SER 122 CO -0.09 0.27 -0.97 0.40 -0.87 0.00 0.00 176.83 175.57 1y6l h ILE 123 N 0.51 1.43 -0.53 0.95 2.04 -1.75 -1.52 117.51 118.65 1y6l h ILE 123 Ca 0.32 -2.57 -0.10 0.00 1.00 0.00 0.00 64.86 63.51 1y6l h ILE 123 Cb 0.56 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 39.13 1y6l h ILE 123 CO -0.10 0.76 -0.06 0.00 0.00 0.00 0.00 178.15 178.75 1y6l h ALA 124 N 0.76 0.72 -0.07 1.87 0.00 -0.95 0.94 119.26 122.53 1y6l h ALA 124 Ca -0.08 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1y6l h ALA 124 Cb 1.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1y6l h ALA 124 CO 0.16 0.59 0.01 1.15 0.00 0.00 0.00 179.25 181.17 1y6l h THR 125 N 0.85 0.97 -0.74 0.00 2.02 -1.07 -2.20 112.91 112.74 1y6l h THR 125 Ca 0.14 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.26 1y6l h THR 125 Cb 0.61 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1y6l h THR 125 CO 0.04 0.01 0.27 -0.61 0.37 0.00 0.00 175.52 175.59 1y6l h GLN 126 N 0.04 1.12 -0.75 6.66 4.15 -0.98 0.30 115.11 125.65 1y6l h GLN 126 Ca 0.03 -0.22 0.11 0.00 0.77 0.00 0.00 58.65 59.35 1y6l h GLN 126 Cb 0.02 -0.18 -0.08 0.00 0.21 0.00 0.00 27.48 27.45 1y6l h GLN 126 CO -0.04 0.93 0.36 -0.92 -1.93 0.00 0.00 178.83 177.23 1y6l h TYR 127 N 1.09 0.63 0.24 3.99 3.20 -0.65 0.28 116.97 125.75 1y6l h TYR 127 Ca 0.25 0.03 -0.33 0.00 3.14 0.00 0.00 58.73 61.81 1y6l h TYR 127 Cb 0.25 -0.17 0.03 0.00 1.54 0.00 0.00 36.73 38.38 1y6l h TYR 127 CO 0.02 0.18 -1.51 0.52 -1.64 0.00 0.00 178.16 175.73 1y6l h MET 128 N 0.57 0.50 0.00 1.82 2.86 -0.73 -3.31 114.93 116.64 1y6l h MET 128 Ca 0.38 -0.85 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 1y6l h MET 128 Cb 0.48 0.32 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 1y6l h MET 128 CO -0.32 1.41 -1.70 0.25 1.06 0.00 0.00 176.91 177.61 1y6l n THR 129 N -3.72 0.24 -2.93 2.22 -2.24 0.98 -4.61 114.28 104.22 1y6l n THR 129 Ca -0.19 -0.53 -0.14 0.00 -2.27 0.00 0.00 64.05 60.93 1y6l n THR 129 Cb 1.08 -0.12 0.02 0.00 -2.10 0.00 0.00 70.33 69.21 1y6l n THR 129 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1y6l n ASN 130 N -2.41 -1.21 0.03 3.42 4.05 0.97 -5.01 115.26 115.11 1y6l n ASN 130 Ca -0.04 -3.28 0.05 0.00 0.45 0.00 0.00 54.58 51.76 1y6l n ASN 130 Cb 0.58 0.83 0.46 0.00 1.23 0.00 0.00 39.78 42.88 1y6l n ASN 130 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 1y6l h ARG 131 N 3.35 0.46 -0.56 1.20 9.65 -1.59 -1.34 114.38 125.54 1y6l h ARG 131 Ca -0.03 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 1y6l h ARG 131 Cb 1.02 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.47 1y6l h ARG 131 CO 0.32 0.30 0.19 0.00 2.80 0.00 0.00 179.97 183.58 1y6l h ALA 132 N 1.77 0.74 -0.35 2.80 0.00 -1.91 -0.93 119.26 121.38 1y6l h ALA 132 Ca 0.14 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1y6l h ALA 132 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1y6l h ALA 132 CO -0.03 0.39 -0.04 1.49 0.00 0.00 0.00 179.25 181.06 1y6l h GLU 133 N 0.78 0.65 -0.38 0.00 4.57 -1.74 -1.73 114.58 116.74 1y6l h GLU 133 Ca 0.18 -0.23 0.08 0.00 -1.18 0.00 0.00 59.36 58.22 1y6l h GLU 133 Cb 0.26 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 28.72 1y6l h GLU 133 CO -0.01 0.79 -0.20 1.25 -1.18 0.00 0.00 179.01 179.66 1y6l h HIS 134 N 0.45 -0.49 -0.17 0.92 2.76 -1.06 -0.53 115.15 117.02 1y6l h HIS 134 Ca 0.10 0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.19 1y6l h HIS 134 Cb 0.52 0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 1y6l h HIS 134 CO 0.04 -0.28 -0.39 -0.44 -1.30 0.00 0.00 177.93 175.57 1y6l h ASP 135 N -0.13 0.39 -0.59 3.26 3.32 -1.11 0.21 116.42 121.77 1y6l h ASP 135 Ca 0.19 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1y6l h ASP 135 Cb 0.42 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1y6l h ASP 135 CO -0.46 0.75 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.71 1y6l h ARG 136 N 0.31 1.04 -0.42 3.56 2.43 -0.91 0.14 114.38 120.54 1y6l h ARG 136 Ca 0.03 -0.33 -0.10 0.00 -0.81 0.00 0.00 59.98 58.77 1y6l h ARG 136 Cb 0.83 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1y6l h ARG 136 CO 0.07 1.03 -0.12 0.52 -1.51 0.00 0.00 179.97 179.95 1y6l h MET 137 N 0.93 0.82 -0.52 0.20 2.86 -0.63 -0.77 114.93 117.82 1y6l h MET 137 Ca 0.17 -0.32 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 1y6l h MET 137 Cb 0.56 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1y6l h MET 137 CO 0.03 0.95 -0.01 0.00 1.06 0.00 0.00 176.91 178.94 1y6l h ALA 138 N 0.85 1.00 -0.27 6.32 0.00 -0.77 0.96 119.26 127.34 1y6l h ALA 138 Ca 0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1y6l h ALA 138 Cb 0.66 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1y6l h ALA 138 CO 0.05 0.61 -0.01 0.00 0.00 0.00 0.00 179.25 179.90 1y6l h ARG 139 N 0.82 0.48 -0.47 0.00 3.08 -0.90 -2.13 114.38 115.26 1y6l h ARG 139 Ca 0.15 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1y6l h ARG 139 Cb 0.51 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1y6l h ARG 139 CO 0.03 0.66 0.24 0.37 -1.07 0.00 0.00 179.97 180.19 1y6l h GLN 140 N 0.26 0.67 -0.25 0.04 4.15 -0.81 -0.74 115.11 118.43 1y6l h GLN 140 Ca 0.07 -0.09 -0.08 0.00 0.77 0.00 0.00 58.65 59.32 1y6l h GLN 140 Cb 0.44 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1y6l h GLN 140 CO 0.02 0.55 -0.20 -1.49 -1.93 0.00 0.00 178.83 175.77 1y6l h TRP 141 N 0.62 0.50 -0.03 3.99 4.06 -0.84 -0.02 115.95 124.23 1y6l h TRP 141 Ca 0.16 -0.09 -0.00 0.00 2.06 0.00 0.00 58.89 61.02 1y6l h TRP 141 Cb 0.09 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 28.12 1y6l h TRP 141 CO -0.01 0.63 0.01 1.15 -3.56 0.00 0.00 178.44 176.66 1y6l h THR 142 N 0.41 1.09 -0.14 1.49 2.02 -1.09 -0.77 112.91 115.92 1y6l h THR 142 Ca 0.07 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.02 1y6l h THR 142 Cb 0.59 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 1y6l h THR 142 CO 0.04 0.07 -0.04 0.50 0.37 0.00 0.00 175.52 176.46 1y6l h LYS 143 N -0.06 -0.01 -0.53 6.66 3.64 -0.93 -0.66 116.57 124.68 1y6l h LYS 143 Ca 0.01 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1y6l h LYS 143 Cb 0.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1y6l h LYS 143 CO -0.00 -0.01 0.02 0.00 -2.27 0.00 0.00 179.45 177.19 1y6l h ARG 144 N -0.01 0.93 0.00 1.90 3.08 -0.88 -3.33 114.38 116.06 1y6l h ARG 144 Ca 0.07 -0.29 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 1y6l h ARG 144 Cb 0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1y6l h ARG 144 CO -0.15 0.94 -1.55 0.66 -1.07 0.00 0.00 179.97 178.80 1y6l n TYR 145 N -4.30 0.00 -0.96 3.04 4.01 -0.31 -4.71 117.16 113.94 1y6l n TYR 145 Ca 0.02 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.84 1y6l n TYR 145 Cb 0.31 -0.33 0.14 0.00 -0.31 0.00 0.00 39.34 39.16 1y6l n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1y6l n ALA 146 N -2.04 2.31 -0.38 -0.72 0.00 -0.26 -4.76 120.51 114.65 1y6l n ALA 146 Ca -0.07 -2.44 0.00 0.00 0.00 0.00 0.00 53.44 50.94 1y6l n ALA 146 Cb 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1y6l n ALA 146 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75