#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 1.27 -0.20 6.66 1.03 -1.96 0.12 112.91 119.83 1y6l h THR 1 Ca 0.00 -1.29 -0.05 0.00 -0.01 0.00 0.00 66.41 65.06 1y6l h THR 1 Cb 0.00 1.02 -0.01 0.00 -1.07 0.00 0.00 68.15 68.09 1y6l h THR 1 CO 0.00 0.45 -0.06 0.77 -0.01 0.00 0.00 175.52 176.67 1y6l h SER 2 N 0.88 0.40 -0.40 0.00 4.64 -1.84 -0.60 113.55 116.63 1y6l h SER 2 Ca 0.13 -0.38 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 1y6l h SER 2 Cb 0.71 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1y6l h SER 2 CO 0.05 0.68 0.17 0.00 -0.87 0.00 0.00 176.83 176.86 1y6l h ALA 3 N 0.73 0.52 -0.66 5.18 0.00 -1.86 -1.12 119.26 122.04 1y6l h ALA 3 Ca 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1y6l h ALA 3 Cb 0.52 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1y6l h ALA 3 CO 0.02 0.11 0.38 -0.22 0.00 0.00 0.00 179.25 179.54 1y6l h LYS 4 N 0.50 0.90 -0.63 0.00 3.64 -0.71 -0.59 116.57 119.68 1y6l h LYS 4 Ca 0.13 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 1y6l h LYS 4 Cb 0.18 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1y6l h LYS 4 CO -0.01 0.66 0.07 -0.09 -2.27 0.00 0.00 179.45 177.81 1y6l h ARG 5 N 0.89 1.07 -0.74 1.90 2.43 -0.87 0.10 114.38 119.17 1y6l h ARG 5 Ca 0.23 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1y6l h ARG 5 Cb 0.01 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1y6l h ARG 5 CO -0.04 1.01 0.25 0.82 -1.51 0.00 0.00 179.97 180.49 1y6l h ILE 6 N 0.98 1.26 -0.40 1.20 2.04 -0.93 0.72 117.51 122.38 1y6l h ILE 6 Ca 0.19 -0.89 -0.10 0.00 1.00 0.00 0.00 64.86 65.06 1y6l h ILE 6 Cb 0.48 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1y6l h ILE 6 CO 0.02 0.35 -0.16 -0.61 0.00 0.00 0.00 178.15 177.75 1y6l h GLN 7 N 1.10 0.75 -0.31 2.37 4.15 -0.79 0.18 115.11 122.56 1y6l h GLN 7 Ca 0.24 -0.27 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1y6l h GLN 7 Cb 0.29 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1y6l h GLN 7 CO -0.01 0.86 0.11 -0.22 -1.93 0.00 0.00 178.83 177.65 1y6l h LYS 8 N 0.67 0.48 -0.34 1.69 3.64 -0.31 -1.03 116.57 121.37 1y6l h LYS 8 Ca 0.11 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 1y6l h LYS 8 Cb 0.64 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1y6l h LYS 8 CO 0.05 0.50 -0.03 0.93 -2.27 0.00 0.00 179.45 178.63 1y6l h GLU 9 N 0.35 0.55 -0.41 1.90 5.08 -0.58 -1.93 114.58 119.54 1y6l h GLU 9 Ca 0.10 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1y6l h GLU 9 Cb 0.21 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1y6l h GLU 9 CO -0.01 0.60 0.15 1.25 -1.00 0.00 0.00 179.01 180.00 1y6l h LEU 10 N 0.52 0.58 -0.62 1.33 5.85 -0.18 -1.38 115.31 121.39 1y6l h LEU 10 Ca 0.11 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1y6l h LEU 10 Cb 0.38 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1y6l h LEU 10 CO 0.02 0.60 0.37 0.00 -0.34 0.00 0.00 178.44 179.09 1y6l h ALA 11 N 1.00 0.80 -0.40 1.25 0.00 -0.93 -1.37 119.26 119.61 1y6l h ALA 11 Ca 0.14 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1y6l h ALA 11 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1y6l h ALA 11 CO -0.01 0.28 0.24 1.49 0.00 0.00 0.00 179.25 181.26 1y6l h GLU 12 N 0.85 0.48 0.00 0.00 4.81 -1.17 -1.84 114.58 117.71 1y6l h GLU 12 Ca 0.22 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1y6l h GLU 12 Cb -0.01 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1y6l h GLU 12 CO -0.04 0.32 -0.38 0.97 -0.73 0.00 0.00 179.01 179.14 1y6l h ILE 13 N 0.50 0.46 -0.08 2.32 2.10 -1.10 -1.18 117.51 120.54 1y6l h ILE 13 Ca 0.16 -1.67 -0.21 0.00 1.08 0.00 0.00 64.86 64.22 1y6l h ILE 13 Cb -0.01 2.19 0.01 0.00 -1.09 0.00 0.00 36.82 37.92 1y6l h ILE 13 CO -0.06 0.26 -0.77 0.74 -1.08 0.00 0.00 178.15 177.25 1y6l h THR 14 N 0.00 1.32 -0.21 2.19 2.02 -1.10 -1.72 112.91 115.41 1y6l h THR 14 Ca -0.01 -2.03 -0.05 0.00 0.77 0.00 0.00 66.41 65.09 1y6l h THR 14 Cb 1.23 2.24 -0.01 0.00 -1.74 0.00 0.00 68.15 69.87 1y6l h THR 14 CO 0.04 0.63 -0.07 0.25 0.37 0.00 0.00 175.52 176.73 1y6l h LEU 15 N 0.31 0.42 -6.55 2.58 5.85 -1.26 -3.39 115.31 113.27 1y6l h LEU 15 Ca -0.07 -0.38 -0.60 0.00 0.84 0.00 0.00 57.88 57.66 1y6l h LEU 15 Cb 1.42 -0.11 -0.39 0.00 0.37 0.00 0.00 40.66 41.94 1y6l h LEU 15 CO 0.15 0.71 -0.85 0.47 -0.34 0.00 0.00 178.44 178.58 1y6l n ASP 16 N -4.59 0.79 -4.83 1.25 8.00 -0.45 -5.11 116.55 111.61 1y6l n ASP 16 Ca -0.05 -2.69 -0.32 0.00 0.71 0.00 0.00 54.79 52.45 1y6l n ASP 16 Cb 0.30 -0.63 0.02 0.00 -0.02 0.00 0.00 41.12 40.79 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 -0.59 3.35 0.72 -0.24 0.04 -0.65 -4.54 135.00 133.09 1y6l s PRO 17 Ca 0.31 1.00 -0.14 0.00 0.04 0.00 0.00 61.00 62.21 1y6l s PRO 17 Cb 0.03 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.56 1y6l s PRO 17 CO -0.18 -0.77 1.15 -2.14 0.04 0.00 0.00 177.00 175.09 1y6l s PRO 18 N -4.58 2.31 0.31 0.56 0.02 -1.26 -4.91 135.00 127.46 1y6l s PRO 18 Ca 0.59 1.51 -0.29 0.00 0.02 0.00 0.00 61.00 62.83 1y6l s PRO 18 Cb -0.13 -1.88 -0.12 0.00 0.02 0.00 0.00 34.50 32.38 1y6l s PRO 18 CO 0.45 -1.65 1.36 -2.30 -0.33 0.00 0.00 177.00 174.53 1y6l n PRO 19 N -2.85 2.19 -1.56 5.54 -0.02 -1.26 -2.64 135.00 134.40 1y6l n PRO 19 Ca 0.11 0.77 -0.14 0.00 -2.02 0.00 0.00 63.50 62.23 1y6l n PRO 19 Cb 0.51 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 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 1.25 -4.58 -3.77 2.55 5.03 -1.26 -4.96 115.26 109.52 1y6l n ASN 20 Ca 0.07 0.27 -0.13 0.00 0.87 0.00 0.00 54.58 55.66 1y6l n ASN 20 Cb 0.35 -3.38 -0.12 0.00 -1.02 0.00 0.00 39.78 35.61 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 0.47 1.50 -0.20 0.00 1.04 -0.19 -4.20 113.70 112.13 1y6l s SER 22 Ca -0.03 -1.03 -0.27 0.00 0.48 0.00 0.00 55.95 55.09 1y6l s SER 22 Cb -0.04 0.04 0.09 0.00 0.10 0.00 0.00 66.02 66.21 1y6l s SER 22 CO -0.02 -0.41 0.81 0.00 0.98 0.00 0.00 173.24 174.59 1y6l s ALA 23 N -3.47 -1.83 0.02 5.32 0.00 -1.26 -1.03 121.76 119.50 1y6l s ALA 23 Ca 0.16 1.75 -0.29 0.00 0.00 0.00 0.00 51.96 53.59 1y6l s ALA 23 Cb 0.04 -0.85 0.10 0.00 0.00 0.00 0.00 23.12 22.41 1y6l s ALA 23 CO -0.01 -0.32 1.24 0.20 0.00 0.00 0.00 175.76 176.87 1y6l s GLY 24 N -0.26 -0.26 0.54 0.00 0.00 -0.87 -4.87 107.32 101.59 1y6l s GLY 24 Ca -0.03 0.35 -0.21 0.00 0.00 0.00 0.00 44.72 44.83 1y6l s GLY 24 CO 0.02 2.04 1.27 -4.14 0.00 0.00 0.00 173.10 172.29 1y6l s PRO 25 N -2.33 3.23 0.45 2.90 0.02 -1.26 -0.98 135.00 137.02 1y6l s PRO 25 Ca 0.19 2.02 0.25 0.00 0.02 0.00 0.00 61.00 63.48 1y6l s PRO 25 Cb 0.02 -2.20 0.64 0.00 0.02 0.00 0.00 34.50 32.98 1y6l s PRO 25 CO -0.02 -1.05 1.71 0.87 -0.33 0.00 0.00 177.00 178.18 1y6l h LYS 26 N 1.43 0.00 0.00 5.54 1.57 -1.25 -3.44 116.57 120.42 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 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1y6l h LYS 26 CO 0.57 0.09 0.00 0.41 -0.57 0.00 0.00 179.45 179.96 1y6l n GLY 27 N 0.73 2.22 0.21 3.86 0.00 -1.26 -5.03 105.19 105.92 1y6l n GLY 27 Ca 0.02 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.49 1.61 3.32 -1.95 -3.38 116.42 113.52 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 0.27 1.15 0.21 -1.72 0.00 0.00 179.24 179.14 1y6l s ASN 29 N -6.64 5.95 0.00 6.45 2.47 -1.26 -4.85 114.94 117.06 1y6l s ASN 29 Ca -0.02 0.08 0.23 0.00 0.42 0.00 0.00 52.86 53.57 1y6l s ASN 29 Cb 0.14 -2.55 1.27 0.00 -1.45 0.00 0.00 41.25 38.66 1y6l s ASN 29 CO 0.67 -1.90 1.77 0.00 -3.72 0.00 0.00 177.10 173.93 1y6l n ILE 30 N 6.80 0.17 1.03 -5.21 3.06 -1.26 -2.31 119.36 121.63 1y6l n ILE 30 Ca 0.11 0.04 0.14 0.00 -2.50 0.00 0.00 62.75 60.54 1y6l n ILE 30 Cb 0.50 -0.67 0.59 0.00 0.54 0.00 0.00 39.64 40.60 1y6l n ILE 30 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1y6l n TYR 31 N -1.17 0.00 -4.02 9.51 4.01 -1.26 -4.70 117.16 119.53 1y6l n TYR 31 Ca 0.14 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.54 1y6l n TYR 31 Cb 0.14 -0.46 -0.15 0.00 -0.31 0.00 0.00 39.34 38.57 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 2.50 0.34 -0.72 0.41 -0.98 -0.66 118.70 116.62 1y6l s GLU 32 Ca 0.15 -1.19 0.09 0.00 -0.41 0.00 0.00 54.97 53.61 1y6l s GLU 32 Cb 0.19 -2.93 -0.06 0.00 -1.78 0.00 0.00 34.13 29.56 1y6l s GLU 32 CO 0.54 -0.50 -0.04 -1.58 -0.49 0.00 0.00 175.26 173.19 1y6l s TRP 33 N 1.20 2.48 0.16 1.61 0.52 -0.11 -0.83 118.94 123.96 1y6l s TRP 33 Ca -0.05 -0.46 0.08 0.00 0.02 0.00 0.00 56.10 55.69 1y6l s TRP 33 Cb -0.18 -1.42 -0.04 0.00 -1.15 0.00 0.00 33.47 30.67 1y6l s TRP 33 CO -0.05 0.53 -0.18 0.50 0.02 0.00 0.00 176.95 177.78 1y6l s ARG 34 N -3.66 1.23 0.01 4.98 3.52 -0.16 -1.07 118.95 123.80 1y6l s ARG 34 Ca 0.34 -1.38 0.01 0.00 -0.13 0.00 0.00 55.73 54.57 1y6l s ARG 34 Cb 0.01 -1.26 -0.01 0.00 -1.56 0.00 0.00 34.95 32.13 1y6l s ARG 34 CO 0.18 0.25 -0.04 0.45 -0.81 0.00 0.00 175.30 175.34 1y6l s SER 35 N -2.62 0.39 -0.16 -2.12 0.15 0.34 -2.05 113.70 107.62 1y6l s SER 35 Ca 0.14 -0.18 -0.03 0.00 0.70 0.00 0.00 55.95 56.59 1y6l s SER 35 Cb -0.06 -0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.23 1y6l s SER 35 CO 0.06 -0.04 -0.07 -0.89 1.20 0.00 0.00 173.24 173.50 1y6l s THR 36 N -0.44 3.54 -0.09 6.45 2.01 -0.19 -0.60 115.64 126.33 1y6l s THR 36 Ca -0.03 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1y6l s THR 36 Cb -0.04 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.94 1y6l s THR 36 CO -0.00 0.49 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.63 1y6l s ILE 37 N 0.51 1.51 0.17 1.82 1.01 0.31 -1.02 121.20 125.51 1y6l s ILE 37 Ca -0.05 -0.68 -0.23 0.00 0.00 0.00 0.00 60.65 59.69 1y6l s ILE 37 Cb -0.15 -1.35 -0.08 0.00 0.01 0.00 0.00 42.46 40.90 1y6l s ILE 37 CO 0.03 0.44 0.73 -0.76 0.00 0.00 0.00 174.94 175.38 1y6l s LEU 38 N 0.64 4.51 0.26 2.97 1.43 0.24 -0.81 118.68 127.93 1y6l s LEU 38 Ca -0.14 1.52 -0.31 0.00 -1.03 0.00 0.00 54.13 54.17 1y6l s LEU 38 Cb -0.16 -3.31 -0.12 0.00 0.03 0.00 0.00 46.19 42.63 1y6l s LEU 38 CO 0.04 0.17 1.64 0.61 0.23 0.00 0.00 176.35 179.04 1y6l n GLY 39 N 1.37 1.41 3.63 -3.19 0.00 -0.34 -4.87 105.19 103.19 1y6l n GLY 39 Ca -0.06 0.52 -0.47 0.00 0.00 0.00 0.00 46.02 46.02 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 2.84 1.66 -1.71 1.61 -0.02 -1.26 -4.31 135.00 133.81 1y6l n PRO 40 Ca 0.11 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.76 1y6l n PRO 40 Cb 0.36 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1y6l n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1y6l n PRO 41 N 2.30 2.47 -0.60 0.52 -0.04 -1.26 -0.94 135.00 137.44 1y6l n PRO 41 Ca 0.15 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.49 1y6l n PRO 41 Cb 0.27 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 1y6l n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y6l n GLY 42 N 2.58 1.43 3.92 0.55 0.00 -1.26 -5.03 105.19 107.38 1y6l n GLY 42 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.14 5.59 0.36 1.61 1.04 -0.12 -4.97 113.70 114.07 1y6l s SER 43 Ca 0.00 0.63 0.25 0.00 0.48 0.00 0.00 55.95 57.31 1y6l s SER 43 Cb 0.00 -1.64 1.32 0.00 0.10 0.00 0.00 66.02 65.80 1y6l s SER 43 CO 0.00 -1.04 1.76 -0.37 0.98 0.00 0.00 173.24 174.57 1y6l h VAL 44 N -0.11 0.00 -0.06 5.02 -1.51 -1.89 -2.28 116.25 115.42 1y6l h VAL 44 Ca -0.45 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1y6l h VAL 44 Cb 1.26 0.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1y6l h VAL 44 CO 0.60 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.72 1y6l n TYR 45 N -2.37 0.05 -1.54 5.19 4.01 -1.26 -3.84 117.16 117.41 1y6l n TYR 45 Ca -0.01 -0.03 -0.52 0.00 -0.16 0.00 0.00 57.90 57.18 1y6l n TYR 45 Cb 0.06 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.03 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 0.46 0.75 -0.04 -0.72 2.13 -0.86 -0.82 120.64 121.54 1y6l n GLU 46 Ca 0.18 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.26 1y6l n GLU 46 Cb 0.41 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.38 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 1.98 2.54 3.81 8.31 0.00 -1.26 -4.95 105.19 115.62 1y6l n GLY 47 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.99 2.53 -0.20 -0.02 0.00 -0.00 -4.86 107.32 102.76 1y6l s GLY 48 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.08 1y6l s GLY 48 CO 0.00 0.69 -0.15 0.14 0.00 0.00 0.00 173.10 173.78 1y6l s VAL 49 N -1.92 2.37 -0.06 1.40 1.01 -0.15 -1.20 120.40 121.85 1y6l s VAL 49 Ca 0.56 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1y6l s VAL 49 Cb -0.13 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1y6l s VAL 49 CO 0.18 0.43 -0.20 -0.36 0.00 0.00 0.00 175.10 175.15 1y6l s PHE 50 N 1.31 2.54 -0.06 5.22 0.08 0.01 -4.66 117.98 122.42 1y6l s PHE 50 Ca 0.03 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.61 1y6l s PHE 50 Cb -0.14 -1.62 -0.03 0.00 -0.57 0.00 0.00 43.02 40.66 1y6l s PHE 50 CO -0.10 -0.05 -0.05 -0.06 -0.10 0.00 0.00 175.22 174.86 1y6l s PHE 51 N -0.37 2.99 0.08 0.36 0.08 -1.26 -0.53 117.98 119.33 1y6l s PHE 51 Ca 0.03 0.06 0.07 0.00 0.12 0.00 0.00 56.93 57.21 1y6l s PHE 51 Cb -0.12 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 1y6l s PHE 51 CO 0.02 0.38 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.83 1y6l s LEU 52 N -0.91 2.27 -0.10 -0.37 1.02 0.23 0.10 118.68 120.93 1y6l s LEU 52 Ca 0.13 -0.63 -0.02 0.00 0.02 0.00 0.00 54.13 53.63 1y6l s LEU 52 Cb -0.11 -0.72 -0.03 0.00 0.02 0.00 0.00 46.19 45.35 1y6l s LEU 52 CO 0.02 0.01 -0.01 -1.81 0.02 0.00 0.00 176.35 174.58 1y6l s ASP 53 N -1.74 5.09 -0.06 2.29 1.01 -0.48 -0.51 116.67 122.26 1y6l s ASP 53 Ca 0.03 0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.37 1y6l s ASP 53 Cb -0.10 -1.53 0.01 0.00 1.01 0.00 0.00 42.92 42.32 1y6l s ASP 53 CO 0.03 0.32 -0.11 -0.63 0.21 0.00 0.00 175.17 174.99 1y6l s ILE 54 N -0.53 1.05 -0.16 0.77 1.01 -0.23 -2.09 121.20 121.01 1y6l s ILE 54 Ca 0.09 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 1y6l s ILE 54 Cb -0.12 -0.98 0.04 0.00 0.01 0.00 0.00 42.46 41.41 1y6l s ILE 54 CO 0.02 0.34 -0.08 -0.89 0.00 0.00 0.00 174.94 174.33 1y6l s THR 55 N 0.73 1.31 0.17 2.92 2.01 0.09 -0.94 115.64 121.92 1y6l s THR 55 Ca -0.13 -0.68 -0.21 0.00 0.31 0.00 0.00 61.69 60.97 1y6l s THR 55 Cb -0.16 -1.39 -0.08 0.00 0.01 0.00 0.00 72.50 70.88 1y6l s THR 55 CO 0.03 0.22 0.70 -0.36 -0.69 0.00 0.00 174.62 174.52 1y6l s PHE 56 N 1.56 3.77 0.56 4.92 0.08 0.16 -0.63 117.98 128.40 1y6l s PHE 56 Ca 0.01 1.42 -0.12 0.00 0.12 0.00 0.00 56.93 58.37 1y6l s PHE 56 Cb -0.15 -2.63 -0.05 0.00 -0.57 0.00 0.00 43.02 39.62 1y6l s PHE 56 CO -0.08 0.46 0.97 -1.54 -0.10 0.00 0.00 175.22 174.92 1y6l s SER 57 N -1.37 6.37 0.46 1.36 1.04 -1.26 -4.86 113.70 115.43 1y6l s SER 57 Ca 0.37 1.39 0.20 0.00 0.48 0.00 0.00 55.95 58.39 1y6l s SER 57 Cb -0.19 -2.45 1.17 0.00 0.10 0.00 0.00 66.02 64.66 1y6l s SER 57 CO 0.22 -0.72 1.92 -0.65 0.98 0.00 0.00 173.24 174.99 1y6l h PRO 58 N 0.22 0.28 0.00 4.02 0.11 -1.99 -1.82 132.00 132.82 1y6l h PRO 58 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1y6l h PRO 58 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1y6l h PRO 58 CO 0.62 0.18 0.00 -0.25 -0.21 0.00 0.00 178.00 178.34 1y6l n ASP 59 N -4.44 0.00 -4.64 -2.05 8.00 -1.26 -4.68 116.55 107.48 1y6l n ASP 59 Ca 0.15 -0.78 -0.45 0.00 0.71 0.00 0.00 54.79 54.42 1y6l n ASP 59 Cb 0.63 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.69 1y6l n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y6l n TYR 60 N -1.01 1.83 -0.53 1.24 9.36 -0.69 -1.06 117.16 126.31 1y6l n TYR 60 Ca 0.19 0.57 -0.06 0.00 3.32 0.00 0.00 57.90 61.92 1y6l n TYR 60 Cb 0.09 -2.37 0.22 0.00 -0.63 0.00 0.00 39.34 36.65 1y6l n TYR 60 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1y6l n PRO 61 N 1.35 2.94 -0.00 2.98 -0.04 -1.26 -4.07 135.00 136.90 1y6l n PRO 61 Ca 0.10 -2.29 0.13 0.00 -0.04 0.00 0.00 63.50 61.41 1y6l n PRO 61 Cb 0.31 -1.98 0.42 0.00 -0.04 0.00 0.00 33.50 32.21 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 -0.11 0.01 -4.15 0.54 3.01 -0.22 -3.61 117.46 112.92 1y6l n PHE 62 Ca 0.32 -0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.62 1y6l n PHE 62 Cb 1.16 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 40.49 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 -1.99 0.43 0.64 -1.08 3.01 -1.26 -4.95 119.74 114.54 1y6l s LYS 63 Ca 0.35 -0.23 -0.16 0.00 -1.01 0.00 0.00 55.97 54.92 1y6l s LYS 63 Cb 0.21 -0.40 -0.01 0.00 -1.01 0.00 0.00 37.83 36.62 1y6l s LYS 63 CO 0.33 0.11 1.15 -1.25 0.51 0.00 0.00 175.35 176.19 1y6l s PRO 64 N -0.23 2.78 0.74 -1.68 0.04 -1.26 -4.61 135.00 130.78 1y6l s PRO 64 Ca 0.01 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 62.49 1y6l s PRO 64 Cb -0.03 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.63 1y6l s PRO 64 CO -0.00 -1.30 1.18 -2.14 0.04 0.00 0.00 177.00 174.78 1y6l s PRO 65 N -3.78 2.11 -0.24 0.56 0.02 -1.26 -4.75 135.00 127.66 1y6l s PRO 65 Ca 0.71 1.65 -0.22 0.00 0.02 0.00 0.00 61.00 63.16 1y6l s PRO 65 Cb -0.25 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.42 1y6l s PRO 65 CO 0.38 -1.84 0.70 0.21 -0.33 0.00 0.00 177.00 176.13 1y6l s LYS 66 N -4.08 4.15 -0.11 5.54 2.20 0.20 -4.93 119.74 122.71 1y6l s LYS 66 Ca 0.72 0.70 0.02 0.00 -0.36 0.00 0.00 55.97 57.05 1y6l s LYS 66 Cb -0.26 -3.64 0.01 0.00 -1.51 0.00 0.00 37.83 32.43 1y6l s LYS 66 CO 0.47 -0.43 -0.16 0.08 -0.36 0.00 0.00 175.35 174.95 1y6l s VAL 67 N 2.55 1.55 0.01 4.02 1.01 -1.26 -0.74 120.40 127.54 1y6l s VAL 67 Ca 0.30 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1y6l s VAL 67 Cb -0.15 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 1y6l s VAL 67 CO 0.08 0.45 -0.06 0.42 0.00 0.00 0.00 175.10 175.99 1y6l s THR 68 N 0.91 0.47 0.10 3.92 -4.23 -0.89 -4.34 115.64 111.58 1y6l s THR 68 Ca -0.08 -0.43 -0.31 0.00 -1.18 0.00 0.00 61.69 59.69 1y6l s THR 68 Cb -0.15 -0.43 -0.07 0.00 1.34 0.00 0.00 72.50 73.19 1y6l s THR 68 CO -0.01 0.01 1.33 -0.36 -0.54 0.00 0.00 174.62 175.06 1y6l s PHE 69 N -0.42 3.30 -0.04 3.99 0.40 -0.32 -1.38 117.98 123.51 1y6l s PHE 69 Ca -0.01 1.05 -0.18 0.00 -0.60 0.00 0.00 56.93 57.20 1y6l s PHE 69 Cb -0.04 -3.60 -0.31 0.00 0.51 0.00 0.00 43.02 39.57 1y6l s PHE 69 CO -0.00 -2.06 0.80 0.00 0.70 0.00 0.00 175.22 174.67 1y6l h ARG 70 N 6.81 0.35 -6.47 0.44 3.08 -0.68 -3.37 114.38 114.55 1y6l h ARG 70 Ca -0.42 -0.60 -0.54 0.00 0.07 0.00 0.00 59.98 58.49 1y6l h ARG 70 Cb 1.21 0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1y6l h ARG 70 CO 0.85 1.29 0.59 0.99 -1.07 0.00 0.00 179.97 182.62 1y6l s THR 71 N -2.50 4.01 0.27 2.04 2.01 -1.15 -5.00 115.64 115.32 1y6l s THR 71 Ca -0.14 1.43 -0.31 0.00 0.31 0.00 0.00 61.69 62.98 1y6l s THR 71 Cb 0.03 -3.92 -0.12 0.00 0.01 0.00 0.00 72.50 68.50 1y6l s THR 71 CO 0.84 0.10 1.64 0.54 -0.69 0.00 0.00 174.62 177.05 1y6l n ARG 72 N 4.08 2.75 -3.88 4.92 1.74 -1.26 -4.92 116.66 120.08 1y6l n ARG 72 Ca 0.09 0.98 -0.11 0.00 -0.77 0.00 0.00 57.85 58.04 1y6l n ARG 72 Cb 0.46 -2.79 -0.13 0.00 -1.02 0.00 0.00 32.46 28.98 1y6l n ARG 72 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1y6l s ILE 73 N 0.33 0.03 -0.54 0.55 2.07 -1.26 -4.69 121.20 117.69 1y6l s ILE 73 Ca 0.67 -0.25 -0.19 0.00 -1.41 0.00 0.00 60.65 59.47 1y6l s ILE 73 Cb -0.49 -0.14 0.08 0.00 0.13 0.00 0.00 42.46 42.03 1y6l s ILE 73 CO 0.44 -0.14 0.63 -0.47 -1.91 0.00 0.00 174.94 173.49 1y6l s TYR 74 N -0.41 3.05 -0.28 3.50 5.04 -1.26 -4.91 117.35 122.08 1y6l s TYR 74 Ca -0.05 -0.77 -0.18 0.00 -2.44 0.00 0.00 57.07 53.63 1y6l s TYR 74 Cb -0.03 -3.71 0.11 0.00 0.35 0.00 0.00 41.96 38.68 1y6l s TYR 74 CO -0.00 -1.12 0.84 -1.58 -1.34 0.00 0.00 175.55 172.35 1y6l s HIS 75 N 2.53 -0.79 -0.33 4.97 2.46 -1.26 -4.76 115.29 118.11 1y6l s HIS 75 Ca 0.12 1.63 0.24 0.00 0.47 0.00 0.00 55.06 57.51 1y6l s HIS 75 Cb -0.22 0.46 1.09 0.00 -0.13 0.00 0.00 32.58 33.79 1y6l s HIS 75 CO 0.09 -0.39 1.72 0.00 -2.47 0.00 0.00 174.74 173.69 1y6l n ASN 77 N -2.30 2.78 -3.76 0.00 3.02 -1.26 -0.23 115.26 113.52 1y6l n ASN 77 Ca 0.01 -1.83 -0.23 0.00 -0.03 0.00 0.00 54.58 52.49 1y6l n ASN 77 Cb 0.16 -0.17 -0.17 0.00 -0.61 0.00 0.00 39.78 38.98 1y6l n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1y6l s ILE 78 N -1.09 0.35 0.67 2.41 1.01 -1.05 0.19 121.20 123.68 1y6l s ILE 78 Ca 0.25 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 1y6l s ILE 78 Cb 0.14 -0.57 0.14 0.00 0.01 0.00 0.00 42.46 42.18 1y6l s ILE 78 CO 0.20 0.18 0.91 -0.46 0.00 0.00 0.00 174.94 175.77 1y6l n ASN 79 N 5.15 0.99 0.32 3.58 0.23 -0.51 -4.46 115.26 120.55 1y6l n ASN 79 Ca -0.07 -1.89 0.22 0.00 -0.53 0.00 0.00 54.58 52.30 1y6l n ASN 79 Cb 0.50 -0.61 1.12 0.00 -2.08 0.00 0.00 39.78 38.71 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 -0.68 0.00 -0.11 0.53 4.64 -1.91 0.11 113.55 116.13 1y6l h SER 80 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1y6l h SER 80 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1y6l h SER 80 CO 0.30 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.26 1y6l n GLN 81 N -3.03 1.98 -1.00 4.77 1.13 -1.26 -4.95 117.38 115.02 1y6l n GLN 81 Ca -0.02 -1.44 -0.00 0.00 -1.94 0.00 0.00 57.00 53.60 1y6l n GLN 81 Cb 0.10 -1.46 -0.00 0.00 0.11 0.00 0.00 30.24 28.99 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 1.26 0.48 3.74 1.08 0.00 0.39 -4.80 105.19 107.33 1y6l n GLY 82 Ca 0.17 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 3.20 -0.22 1.61 1.01 -1.26 -1.17 120.40 121.57 1y6l s VAL 83 Ca 0.00 1.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.93 1y6l s VAL 83 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1y6l s VAL 83 CO 0.00 0.16 0.02 -0.63 0.00 0.00 0.00 175.10 174.65 1y6l s ILE 84 N 0.01 4.04 -0.61 2.22 1.01 -1.26 -1.43 121.20 125.17 1y6l s ILE 84 Ca 0.56 -0.27 -0.21 0.00 0.00 0.00 0.00 60.65 60.72 1y6l s ILE 84 Cb -0.36 -2.85 0.08 0.00 0.01 0.00 0.00 42.46 39.33 1y6l s ILE 84 CO 0.39 0.39 0.85 0.00 0.00 0.00 0.00 174.94 176.57 1y6l s LEU 86 N 3.50 0.10 0.13 0.00 2.96 -1.26 -4.92 118.68 119.20 1y6l s LEU 86 Ca 0.19 0.88 -0.21 0.00 -0.22 0.00 0.00 54.13 54.77 1y6l s LEU 86 Cb -0.19 1.40 -0.01 0.00 0.50 0.00 0.00 46.19 47.89 1y6l s LEU 86 CO 0.10 -0.17 1.68 0.44 -1.32 0.00 0.00 176.35 177.07 1y6l h ASP 87 N 6.42 -0.39 -0.55 3.68 3.32 -1.96 -1.73 116.42 125.21 1y6l h ASP 87 Ca -0.32 0.08 0.16 0.00 0.02 0.00 0.00 57.03 56.97 1y6l h ASP 87 Cb 1.18 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.91 1y6l h ASP 87 CO 0.27 -0.16 0.68 -0.29 -1.72 0.00 0.00 179.24 178.02 1y6l h ILE 88 N -0.13 0.21 -0.02 0.35 2.10 -1.95 0.33 117.51 118.41 1y6l h ILE 88 Ca 0.10 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.04 1y6l h ILE 88 Cb 0.28 0.44 0.00 0.00 -1.09 0.00 0.00 36.82 36.45 1y6l h ILE 88 CO -0.24 0.00 -0.21 0.18 -1.08 0.00 0.00 178.15 176.80 1y6l n LEU 89 N -3.46 1.84 0.00 2.19 4.77 -0.65 -3.72 117.00 117.96 1y6l n LEU 89 Ca 0.11 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1y6l n LEU 89 Cb 0.88 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1y6l n LEU 89 CO 0.24 0.32 0.00 0.29 -1.33 0.00 0.00 177.39 176.91 1y6l n LYS 90 N 0.14 0.00 -0.42 3.23 4.76 0.11 -4.86 118.16 121.12 1y6l n LYS 90 Ca 0.13 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.60 1y6l n LYS 90 Cb 0.44 0.00 0.19 0.00 -1.84 0.00 0.00 35.03 33.81 1y6l n LYS 90 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1y6l n ASP 91 N 0.00 3.19 -0.38 4.39 -0.08 -1.21 -2.45 116.55 120.01 1y6l n ASP 91 Ca 0.00 -2.44 0.09 0.00 -1.51 0.00 0.00 54.79 50.94 1y6l n ASP 91 Cb 0.00 -0.59 0.18 0.00 2.34 0.00 0.00 41.12 43.06 1y6l n ASP 91 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1y6l n ASN 92 N 0.28 2.93 -4.76 1.67 5.15 -0.63 -5.01 115.26 114.89 1y6l n ASN 92 Ca 0.13 -3.05 -0.40 0.00 -0.60 0.00 0.00 54.58 50.66 1y6l n ASN 92 Cb 0.70 -0.47 -0.04 0.00 -0.53 0.00 0.00 39.78 39.43 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 -2.84 3.60 0.02 1.20 -0.11 -1.03 -4.55 118.94 115.24 1y6l s TRP 93 Ca 0.36 1.72 0.00 0.00 1.22 0.00 0.00 56.10 59.40 1y6l s TRP 93 Cb 0.30 -3.23 -0.02 0.00 -1.50 0.00 0.00 33.47 29.02 1y6l s TRP 93 CO 0.05 -0.43 -0.04 0.45 -4.62 0.00 0.00 176.95 172.37 1y6l s SER 94 N -0.98 0.36 0.16 5.86 0.15 -1.26 -5.04 113.70 112.95 1y6l s SER 94 Ca 0.45 -0.48 0.13 0.00 0.70 0.00 0.00 55.95 56.75 1y6l s SER 94 Cb -0.30 0.08 0.65 0.00 -1.71 0.00 0.00 66.02 64.74 1y6l s SER 94 CO 0.39 -0.26 1.40 -2.65 1.20 0.00 0.00 173.24 173.32 1y6l n PRO 95 N 1.66 0.08 0.00 5.44 -0.02 -1.24 -1.25 135.00 139.68 1y6l n PRO 95 Ca -0.23 0.52 0.14 0.00 -2.02 0.00 0.00 63.50 61.91 1y6l n PRO 95 Cb 0.55 -1.73 0.56 0.00 -0.02 0.00 0.00 33.50 32.86 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 -1.64 2.57 -2.03 3.55 0.00 -1.26 -4.84 120.51 116.86 1y6l n ALA 96 Ca 0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.02 1y6l n ALA 96 Cb 0.06 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.96 3.12 0.13 0.00 1.43 -0.38 -5.10 118.68 114.92 1y6l s LEU 97 Ca 0.15 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 54.00 1y6l s LEU 97 Cb 0.19 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 1y6l s LEU 97 CO 0.56 -1.19 -0.02 0.42 0.23 0.00 0.00 176.35 176.35 1y6l s THR 98 N -3.09 0.58 0.49 5.49 -4.23 -1.26 -5.02 115.64 108.60 1y6l s THR 98 Ca 0.55 -1.94 0.15 0.00 -1.18 0.00 0.00 61.69 59.27 1y6l s THR 98 Cb -0.11 -1.90 0.28 0.00 1.34 0.00 0.00 72.50 72.12 1y6l s THR 98 CO 0.46 -0.67 2.11 -0.29 -0.54 0.00 0.00 174.62 175.70 1y6l h ILE 99 N 2.85 1.00 -0.58 2.99 6.09 -1.99 -1.70 117.51 126.17 1y6l h ILE 99 Ca -0.36 -0.05 -0.02 0.00 -1.37 0.00 0.00 64.86 63.07 1y6l h ILE 99 Cb 1.18 0.85 -0.03 0.00 0.47 0.00 0.00 36.82 39.29 1y6l h ILE 99 CO 0.63 0.03 0.29 0.28 -3.07 0.00 0.00 178.15 176.31 1y6l h SER 100 N 0.14 0.76 -0.72 2.19 0.02 -1.96 -0.47 113.55 113.51 1y6l h SER 100 Ca 0.06 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1y6l h SER 100 Cb 0.08 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1y6l h SER 100 CO -0.01 0.66 0.21 0.11 -1.14 0.00 0.00 176.83 176.66 1y6l h LYS 101 N 0.79 1.14 -0.27 3.45 1.79 -1.75 -0.34 116.57 121.38 1y6l h LYS 101 Ca 0.20 -0.25 0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1y6l h LYS 101 Cb 0.10 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 1y6l h LYS 101 CO -0.03 0.98 0.15 0.28 -1.08 0.00 0.00 179.45 179.75 1y6l h VAL 102 N 1.09 1.02 -0.24 0.50 2.07 -1.01 -0.53 116.25 119.14 1y6l h VAL 102 Ca 0.23 -0.11 -0.18 0.00 0.82 0.00 0.00 66.70 67.47 1y6l h VAL 102 Cb 0.33 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1y6l h VAL 102 CO -0.00 0.06 -0.56 -0.07 0.02 0.00 0.00 177.57 177.01 1y6l h LEU 103 N 0.31 0.81 -0.64 2.57 3.38 -0.84 -0.64 115.31 120.26 1y6l h LEU 103 Ca 0.11 -0.44 0.05 0.00 0.09 0.00 0.00 57.88 57.69 1y6l h LEU 103 Cb 0.01 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1y6l h LEU 103 CO -0.06 1.20 0.35 -0.07 0.09 0.00 0.00 178.44 179.96 1y6l h LEU 104 N 0.56 0.53 -0.69 1.67 3.38 -0.93 -0.03 115.31 119.79 1y6l h LEU 104 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1y6l h LEU 104 Cb 1.14 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1y6l h LEU 104 CO 0.12 0.35 0.44 -1.28 0.09 0.00 0.00 178.44 178.15 1y6l h SER 105 N 0.66 0.80 -0.35 -0.43 0.87 -0.66 -0.88 113.55 113.56 1y6l h SER 105 Ca 0.28 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1y6l h SER 105 Cb 0.16 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1y6l h SER 105 CO -0.17 0.60 0.12 0.40 -0.53 0.00 0.00 176.83 177.25 1y6l h ILE 106 N 0.93 1.20 -0.82 2.23 2.04 -0.69 -0.74 117.51 121.67 1y6l h ILE 106 Ca 0.25 -0.65 0.09 0.00 1.00 0.00 0.00 64.86 65.55 1y6l h ILE 106 Cb -0.08 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 1y6l h ILE 106 CO -0.05 0.23 0.47 0.00 0.00 0.00 0.00 178.15 178.80 1y6l h SER 108 N 0.80 0.83 -0.85 0.00 0.87 -0.96 -2.52 113.55 111.72 1y6l h SER 108 Ca 0.39 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1y6l h SER 108 Cb 0.34 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 1y6l h SER 108 CO -0.24 0.86 0.44 0.25 -0.53 0.00 0.00 176.83 177.61 1y6l h LEU 109 N 0.82 1.09 -1.91 2.23 5.85 -0.03 0.30 115.31 123.67 1y6l h LEU 109 Ca 0.16 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1y6l h LEU 109 Cb 0.42 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1y6l h LEU 109 CO 0.01 0.90 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.82 1y6l h LEU 110 N 1.20 0.00 0.22 2.25 3.38 -0.96 -2.83 115.31 118.57 1y6l h LEU 110 Ca 0.30 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.92 1y6l h LEU 110 Cb 0.07 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.85 1y6l h LEU 110 CO -0.04 0.12 -1.62 0.74 0.09 0.00 0.00 178.44 177.73 1y6l h THR 111 N 0.00 1.10 -2.66 0.22 2.02 -0.94 -3.44 112.91 109.20 1y6l h THR 111 Ca -0.00 -2.59 -0.47 0.00 0.77 0.00 0.00 66.41 64.11 1y6l h THR 111 Cb 0.29 2.90 -0.38 0.00 -1.74 0.00 0.00 68.15 69.22 1y6l h THR 111 CO 0.02 0.83 -0.74 -1.81 0.37 0.00 0.00 175.52 174.19 1y6l s ASP 112 N -7.43 2.96 1.12 4.18 1.01 0.03 -5.00 116.67 113.53 1y6l s ASP 112 Ca -0.13 -1.08 -0.13 0.00 0.71 0.00 0.00 52.55 51.92 1y6l s ASP 112 Cb 0.05 -0.13 0.26 0.00 1.01 0.00 0.00 42.92 44.11 1y6l s ASP 112 CO 0.90 -0.42 1.05 0.00 0.21 0.00 0.00 175.17 176.91 1y6l s ASN 114 N -2.82 3.98 0.17 0.00 0.01 -1.26 -4.96 114.94 110.05 1y6l s ASN 114 Ca 0.67 -2.92 0.15 0.00 -0.71 0.00 0.00 52.86 50.06 1y6l s ASN 114 Cb -0.23 -1.33 0.71 0.00 0.41 0.00 0.00 41.25 40.81 1y6l s ASN 114 CO 0.62 -0.23 1.45 -0.81 -1.51 0.00 0.00 177.10 176.62 1y6l n PRO 115 N 3.20 0.09 0.14 -0.60 -0.04 -1.26 -1.95 135.00 134.58 1y6l n PRO 115 Ca 0.09 0.50 0.12 0.00 -0.04 0.00 0.00 63.50 64.17 1y6l n PRO 115 Cb 0.34 -1.74 0.22 0.00 -0.04 0.00 0.00 33.50 32.27 1y6l n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y6l h ALA 116 N 2.12 0.85 -2.11 0.55 0.00 -1.97 -3.34 119.26 115.36 1y6l h ALA 116 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1y6l h ALA 116 Cb 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.47 1y6l h ALA 116 CO 0.00 0.00 -0.70 -3.47 0.00 0.00 0.00 179.25 175.08 1y6l n ASP 117 N -2.60 4.27 -4.77 0.00 2.03 -0.82 -5.08 116.55 109.58 1y6l n ASP 117 Ca 0.04 -3.64 -0.36 0.00 0.52 0.00 0.00 54.79 51.35 1y6l n ASP 117 Cb 0.48 -0.54 -0.00 0.00 -0.72 0.00 0.00 41.12 40.34 1y6l n ASP 117 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1y6l s PRO 118 N -3.42 3.56 -0.03 -0.67 0.04 -1.26 -4.75 135.00 128.47 1y6l s PRO 118 Ca 0.48 1.75 0.07 0.00 0.04 0.00 0.00 61.00 63.33 1y6l s PRO 118 Cb 0.31 -2.25 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 1y6l s PRO 118 CO -0.14 -0.71 0.10 -0.11 0.04 0.00 0.00 177.00 176.18 1y6l n LEU 119 N -0.83 0.00 -3.87 -3.56 7.94 0.69 -4.90 117.00 112.47 1y6l n LEU 119 Ca 0.09 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.69 1y6l n LEU 119 Cb 0.49 0.07 -0.15 0.00 0.53 0.00 0.00 43.42 44.36 1y6l n LEU 119 CO 0.46 0.07 -0.29 -0.69 -1.11 0.00 0.00 177.39 175.82 1y6l s VAL 120 N -2.36 1.76 0.18 1.96 1.01 -0.60 -4.88 120.40 117.47 1y6l s VAL 120 Ca -0.03 -2.25 -0.13 0.00 0.00 0.00 0.00 61.98 59.58 1y6l s VAL 120 Cb 0.04 -2.28 0.09 0.00 0.00 0.00 0.00 36.38 34.22 1y6l s VAL 120 CO 0.29 -0.70 1.83 1.23 0.00 0.00 0.00 175.10 177.75 1y6l h GLY 121 N 7.44 0.81 1.14 4.51 0.00 -1.90 -1.80 103.07 113.26 1y6l h GLY 121 Ca -0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 1y6l h GLY 121 CO 0.52 0.24 0.44 1.48 0.00 0.00 0.00 176.54 179.23 1y6l h SER 122 N 0.71 1.01 -0.15 0.19 4.64 -1.98 -0.93 113.55 117.05 1y6l h SER 122 Ca 0.23 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 1y6l h SER 122 Cb -0.01 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 1y6l h SER 122 CO -0.08 0.81 -0.01 0.40 -0.87 0.00 0.00 176.83 177.08 1y6l h ILE 123 N 1.14 1.26 -0.75 0.95 2.04 -1.78 -1.34 117.51 119.03 1y6l h ILE 123 Ca 0.29 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.34 1y6l h ILE 123 Cb 0.03 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 1y6l h ILE 123 CO -0.05 0.26 0.43 0.00 0.00 0.00 0.00 178.15 178.79 1y6l h ALA 124 N 0.75 1.03 -0.11 1.87 0.00 -0.89 -0.42 119.26 121.48 1y6l h ALA 124 Ca 0.04 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 1y6l h ALA 124 Cb 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1y6l h ALA 124 CO 0.01 0.11 -0.74 0.00 0.00 0.00 0.00 179.25 178.62 1y6l h THR 125 N 0.77 1.33 -0.94 0.00 1.03 -1.16 -2.83 112.91 111.12 1y6l h THR 125 Ca 0.34 -2.06 0.00 0.00 -0.01 0.00 0.00 66.41 64.68 1y6l h THR 125 Cb 0.23 2.04 -0.05 0.00 -1.07 0.00 0.00 68.15 69.31 1y6l h THR 125 CO -0.20 0.63 0.59 -0.61 -0.01 0.00 0.00 175.52 175.92 1y6l h GLN 126 N 0.39 1.26 -0.77 0.00 4.15 -0.85 0.63 115.11 119.93 1y6l h GLN 126 Ca -0.04 -0.10 0.09 0.00 0.77 0.00 0.00 58.65 59.37 1y6l h GLN 126 Cb 1.34 -0.27 -0.07 0.00 0.21 0.00 0.00 27.48 28.69 1y6l h GLN 126 CO 0.14 0.86 0.42 -0.92 -1.93 0.00 0.00 178.83 177.40 1y6l h TYR 127 N 1.28 0.77 0.10 3.99 3.20 -0.93 0.34 116.97 125.72 1y6l h TYR 127 Ca 0.34 0.03 -0.28 0.00 3.14 0.00 0.00 58.73 61.96 1y6l h TYR 127 Cb -0.09 -0.23 0.03 0.00 1.54 0.00 0.00 36.73 37.97 1y6l h TYR 127 CO 0.00 0.32 -1.15 0.52 -1.64 0.00 0.00 178.16 176.21 1y6l h MET 128 N 0.73 0.59 0.00 1.82 2.86 -1.12 -3.29 114.93 116.52 1y6l h MET 128 Ca 0.36 -0.78 -0.10 0.00 -2.06 0.00 0.00 59.70 57.13 1y6l h MET 128 Cb 0.32 0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1y6l h MET 128 CO -0.24 1.35 -1.62 0.25 1.06 0.00 0.00 176.91 177.71 1y6l n THR 129 N -3.86 0.68 -2.91 2.22 -2.24 0.21 -4.63 114.28 103.76 1y6l n THR 129 Ca -0.13 -0.61 -0.14 0.00 -2.27 0.00 0.00 64.05 60.90 1y6l n THR 129 Cb 0.94 -0.36 0.02 0.00 -2.10 0.00 0.00 70.33 68.83 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 -2.61 -1.61 -0.32 3.42 2.85 0.12 -5.01 115.26 112.09 1y6l n ASN 130 Ca -0.08 -3.17 0.02 0.00 -0.11 0.00 0.00 54.58 51.24 1y6l n ASN 130 Cb 0.72 0.94 0.21 0.00 1.24 0.00 0.00 39.78 42.88 1y6l n ASN 130 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1y6l h ARG 131 N 3.75 1.07 -0.55 1.20 9.65 -1.60 -1.50 114.38 126.39 1y6l h ARG 131 Ca -0.06 -0.06 0.10 0.00 -1.10 0.00 0.00 59.98 58.86 1y6l h ARG 131 Cb 0.99 -0.24 -0.08 0.00 -1.39 0.00 0.00 29.97 29.25 1y6l h ARG 131 CO 0.35 0.71 0.10 0.00 2.80 0.00 0.00 179.97 183.93 1y6l h ALA 132 N 1.48 0.62 -0.33 2.80 0.00 -1.91 -0.01 119.26 121.93 1y6l h ALA 132 Ca 0.38 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 55.26 1y6l h ALA 132 Cb 0.10 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1y6l h ALA 132 CO -0.13 -0.32 -0.42 1.49 0.00 0.00 0.00 179.25 179.87 1y6l h GLU 133 N 0.23 0.82 -0.19 0.00 4.57 -1.70 -0.81 114.58 117.50 1y6l h GLU 133 Ca 0.28 -0.44 0.05 0.00 -1.18 0.00 0.00 59.36 58.07 1y6l h GLU 133 Cb 0.41 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.96 1y6l h GLU 133 CO -0.38 1.08 -0.19 1.25 -1.18 0.00 0.00 179.01 179.59 1y6l h HIS 134 N 0.66 -0.50 -0.31 0.92 2.76 -0.98 -0.91 115.15 116.79 1y6l h HIS 134 Ca 0.05 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.10 1y6l h HIS 134 Cb 0.99 0.25 -0.01 0.00 1.55 0.00 0.00 27.41 30.19 1y6l h HIS 134 CO 0.06 -0.27 -0.39 -0.44 -1.30 0.00 0.00 177.93 175.58 1y6l h ASP 135 N -0.22 0.78 -0.28 3.26 3.32 -0.89 0.27 116.42 122.66 1y6l h ASP 135 Ca 0.12 -0.35 0.06 0.00 0.02 0.00 0.00 57.03 56.88 1y6l h ASP 135 Cb 0.39 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.67 1y6l h ASP 135 CO -0.31 1.08 -0.09 -0.09 -1.72 0.00 0.00 179.24 178.10 1y6l h ARG 136 N 0.60 -0.03 -0.73 3.56 2.43 -0.98 -0.46 114.38 118.78 1y6l h ARG 136 Ca 0.05 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1y6l h ARG 136 Cb 0.93 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 1y6l h ARG 136 CO 0.09 -0.02 0.19 0.52 -1.51 0.00 0.00 179.97 179.23 1y6l h MET 137 N -0.03 1.15 -0.51 0.20 2.86 -0.73 -1.69 114.93 116.19 1y6l h MET 137 Ca 0.14 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.45 1y6l h MET 137 Cb 0.24 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1y6l h MET 137 CO -0.31 1.00 0.09 0.00 1.06 0.00 0.00 176.91 178.75 1y6l h ALA 138 N 1.10 0.67 -0.61 6.32 0.00 -0.66 -0.94 119.26 125.13 1y6l h ALA 138 Ca 0.23 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1y6l h ALA 138 Cb 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1y6l h ALA 138 CO -0.00 0.41 0.11 0.00 0.00 0.00 0.00 179.25 179.77 1y6l h ARG 139 N 0.72 1.01 -0.21 0.00 3.08 -1.01 -1.60 114.38 116.36 1y6l h ARG 139 Ca 0.15 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1y6l h ARG 139 Cb 0.39 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1y6l h ARG 139 CO 0.01 0.94 0.07 0.37 -1.07 0.00 0.00 179.97 180.29 1y6l h GLN 140 N 0.92 0.32 -0.28 0.04 4.15 -0.94 -1.40 115.11 117.92 1y6l h GLN 140 Ca 0.19 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.51 1y6l h GLN 140 Cb 0.41 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 1y6l h GLN 140 CO 0.01 0.40 0.05 -1.49 -1.93 0.00 0.00 178.83 175.87 1y6l h TRP 141 N 0.18 0.41 -0.41 3.99 4.06 -1.18 0.10 115.95 123.10 1y6l h TRP 141 Ca 0.07 -0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.98 1y6l h TRP 141 Cb 0.21 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 1y6l h TRP 141 CO -0.00 0.38 0.19 1.15 -3.56 0.00 0.00 178.44 176.60 1y6l h THR 142 N 0.40 1.18 -0.17 1.49 2.02 -0.76 0.01 112.91 117.08 1y6l h THR 142 Ca 0.10 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 1y6l h THR 142 Cb 0.19 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1y6l h THR 142 CO -0.00 0.19 -0.01 0.50 0.37 0.00 0.00 175.52 176.57 1y6l h LYS 143 N 0.52 0.32 -0.61 6.66 3.64 -0.81 -1.69 116.57 124.60 1y6l h LYS 143 Ca 0.14 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1y6l h LYS 143 Cb 0.13 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1y6l h LYS 143 CO -0.02 0.55 0.02 -0.09 -2.27 0.00 0.00 179.45 177.64 1y6l h ARG 144 N 0.05 1.06 0.00 1.90 2.43 -0.69 -3.30 114.38 115.83 1y6l h ARG 144 Ca 0.05 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1y6l h ARG 144 Cb 0.41 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1y6l h ARG 144 CO 0.01 1.03 -1.16 0.66 -1.51 0.00 0.00 179.97 179.01 1y6l n TYR 145 N -4.20 0.00 -1.57 2.20 4.01 -0.02 -4.61 117.16 112.97 1y6l n TYR 145 Ca 0.03 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.83 1y6l n TYR 145 Cb 0.34 -0.08 0.21 0.00 -0.31 0.00 0.00 39.34 39.49 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 -1.64 3.60 0.00 -0.72 0.00 -0.64 -4.70 120.51 116.41 1y6l n ALA 146 Ca -0.01 -3.27 0.00 0.00 0.00 0.00 0.00 53.44 50.16 1y6l n ALA 146 Cb 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1y6l n ALA 146 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75