#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpw s ARG 2 N 0.00 3.71 -0.15 0.03 3.52 -1.26 -4.74 118.95 120.06 1xpw s ARG 2 Ca 0.00 0.26 -0.00 0.00 -0.13 0.00 0.00 55.73 55.85 1xpw s ARG 2 Cb 0.00 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.89 1xpw s ARG 2 CO 0.00 0.07 0.02 1.63 -0.81 0.00 0.00 175.30 176.21 1xpw n LYS 3 N -1.15 -1.66 -3.99 5.12 5.02 -0.21 -5.05 118.16 116.24 1xpw n LYS 3 Ca 0.01 1.59 -0.12 0.00 -2.02 0.00 0.00 58.31 57.77 1xpw n LYS 3 Cb 0.54 -3.13 -0.13 0.00 -0.02 0.00 0.00 35.03 32.29 1xpw n LYS 3 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1xpw s ILE 4 N -0.84 0.21 -0.56 -0.18 2.07 -0.76 -4.88 121.20 116.27 1xpw s ILE 4 Ca 0.01 -0.56 -0.27 0.00 -1.41 0.00 0.00 60.65 58.42 1xpw s ILE 4 Cb -0.00 -0.27 -0.01 0.00 0.13 0.00 0.00 42.46 42.31 1xpw s ILE 4 CO 0.38 -0.23 1.73 -1.81 -1.91 0.00 0.00 174.94 173.10 1xpw s ASP 5 N -0.83 5.59 0.00 4.50 1.11 -1.26 -2.97 116.67 122.81 1xpw s ASP 5 Ca -0.07 0.46 0.18 0.00 0.18 0.00 0.00 52.55 53.30 1xpw s ASP 5 Cb -0.06 -2.53 0.88 0.00 1.07 0.00 0.00 42.92 42.28 1xpw s ASP 5 CO -0.00 -2.10 1.59 0.18 1.18 0.00 0.00 175.17 176.02 1xpw n LEU 6 N 11.52 0.66 -0.30 1.23 4.77 0.17 -3.08 117.00 131.97 1xpw n LEU 6 Ca 0.18 -0.28 0.12 0.00 -0.03 0.00 0.00 56.01 56.00 1xpw n LEU 6 Cb 0.50 -0.05 0.20 0.00 -2.33 0.00 0.00 43.42 41.75 1xpw n LEU 6 CO 0.71 0.14 0.47 0.00 -1.33 0.00 0.00 177.39 177.38 1xpw s LEU 8 N -2.56 4.41 0.32 0.00 1.43 -1.18 -4.18 118.68 116.92 1xpw s LEU 8 Ca 0.20 2.31 0.25 0.00 -1.03 0.00 0.00 54.13 55.86 1xpw s LEU 8 Cb 0.18 -3.60 1.15 0.00 0.03 0.00 0.00 46.19 43.95 1xpw s LEU 8 CO 0.57 -0.52 1.75 0.77 0.23 0.00 0.00 176.35 179.15 1xpw h SER 9 N 5.81 0.00 1.64 2.29 4.64 -0.53 -0.02 113.55 127.38 1xpw h SER 9 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1xpw h SER 9 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1xpw h SER 9 CO 0.79 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.52 1xpw h SER 10 N 0.00 0.00 0.62 4.97 4.64 -1.85 -2.52 113.55 119.40 1xpw h SER 10 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xpw h SER 10 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1xpw h SER 10 CO 0.00 0.00 -0.33 -0.62 -0.87 0.00 0.00 176.83 175.01 1xpw n GLU 11 N -2.72 0.08 0.00 4.77 -0.58 -0.04 -4.91 120.64 117.23 1xpw n GLU 11 Ca 0.04 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1xpw n GLU 11 Cb 0.46 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1xpw n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xpw n GLY 12 N 1.48 0.86 3.74 0.62 0.00 -0.95 -5.02 105.19 105.92 1xpw n GLY 12 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1xpw n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xpw s SER 13 N -1.93 7.22 -0.02 1.61 0.01 -1.09 -4.46 113.70 115.04 1xpw s SER 13 Ca 0.00 2.11 0.01 0.00 1.31 0.00 0.00 55.95 59.38 1xpw s SER 13 Cb 0.00 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.64 1xpw s SER 13 CO 0.00 -0.27 -0.01 -0.70 0.41 0.00 0.00 173.24 172.67 1xpw s GLU 14 N -0.25 0.25 -0.03 12.44 2.12 0.47 -4.02 118.70 129.67 1xpw s GLU 14 Ca 0.51 0.00 -0.26 0.00 0.36 0.00 0.00 54.97 55.58 1xpw s GLU 14 Cb -0.30 -0.35 -0.04 0.00 0.26 0.00 0.00 34.13 33.70 1xpw s GLU 14 CO 0.35 -0.05 0.80 0.14 -0.54 0.00 0.00 175.26 175.96 1xpw s VAL 15 N 0.53 4.96 -0.04 3.70 -7.23 -1.26 -0.40 120.40 120.65 1xpw s VAL 15 Ca -0.05 1.66 0.02 0.00 -1.81 0.00 0.00 61.98 61.81 1xpw s VAL 15 Cb -0.08 -4.14 0.01 0.00 0.56 0.00 0.00 36.38 32.73 1xpw s VAL 15 CO -0.01 0.23 -0.10 -0.51 -0.31 0.00 0.00 175.10 174.40 1xpw s ILE 16 N 0.78 0.94 -0.38 -0.62 2.07 0.49 -4.92 121.20 119.56 1xpw s ILE 16 Ca 0.42 -0.41 -0.14 0.00 -1.41 0.00 0.00 60.65 59.11 1xpw s ILE 16 Cb -0.19 -0.85 0.02 0.00 0.13 0.00 0.00 42.46 41.57 1xpw s ILE 16 CO 0.22 0.30 0.53 -0.11 -1.91 0.00 0.00 174.94 173.97 1xpw n LEU 17 N 3.54 -7.33 -4.72 8.50 -0.00 -1.26 -1.93 117.00 113.80 1xpw n LEU 17 Ca -0.21 0.49 -0.33 0.00 -0.00 0.00 0.00 56.01 55.96 1xpw n LEU 17 Cb 0.53 -3.15 -0.08 0.00 -0.00 0.00 0.00 43.42 40.71 1xpw n LEU 17 CO 0.25 -2.12 -0.29 0.00 -0.00 0.00 0.00 177.39 175.22 1xpw s ALA 18 N -2.43 3.39 0.19 1.96 0.00 -1.26 -2.81 121.76 120.79 1xpw s ALA 18 Ca 0.22 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 1xpw s ALA 18 Cb -0.06 -1.45 0.09 0.00 0.00 0.00 0.00 23.12 21.70 1xpw s ALA 18 CO 0.69 0.65 1.56 1.15 0.00 0.00 0.00 175.76 179.81 1xpw h THR 19 N 3.57 1.28 -2.26 0.00 2.02 -1.79 -3.48 112.91 112.24 1xpw h THR 19 Ca -0.49 -1.46 0.19 0.00 0.77 0.00 0.00 66.41 65.42 1xpw h THR 19 Cb 1.18 1.31 -0.09 0.00 -1.74 0.00 0.00 68.15 68.81 1xpw h THR 19 CO 0.58 0.48 0.51 -0.55 0.37 0.00 0.00 175.52 176.92 1xpw s SER 20 N -6.79 -0.17 -0.13 4.18 0.15 -1.26 -5.05 113.70 104.62 1xpw s SER 20 Ca -0.10 -0.37 -0.33 0.00 0.70 0.00 0.00 55.95 55.85 1xpw s SER 20 Cb 0.12 0.46 0.13 0.00 -1.71 0.00 0.00 66.02 65.02 1xpw s SER 20 CO 0.85 -0.84 1.10 -0.55 1.20 0.00 0.00 173.24 175.00 1xpw s SER 21 N -2.93 -0.21 0.42 5.45 0.15 -1.26 -4.93 113.70 110.39 1xpw s SER 21 Ca 0.12 0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.77 1xpw s SER 21 Cb -0.01 0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.50 1xpw s SER 21 CO 0.01 -0.36 0.66 -1.81 1.20 0.00 0.00 173.24 172.95 1xpw s ASP 22 N -2.25 6.07 0.11 5.45 1.01 -0.94 -5.01 116.67 121.11 1xpw s ASP 22 Ca 0.08 0.49 -0.06 0.00 0.71 0.00 0.00 52.55 53.76 1xpw s ASP 22 Cb -0.01 -1.86 -0.14 0.00 1.01 0.00 0.00 42.92 41.92 1xpw s ASP 22 CO -0.06 -0.54 1.26 1.05 0.21 0.00 0.00 175.17 177.09 1xpw h GLU 23 N 0.47 0.45 -0.03 8.23 4.11 -2.02 -3.19 114.58 122.61 1xpw h GLU 23 Ca -0.48 -0.51 0.00 0.00 0.07 0.00 0.00 59.36 58.44 1xpw h GLU 23 Cb 1.23 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1xpw h GLU 23 CO 0.60 1.16 -0.05 1.63 0.07 0.00 0.00 179.01 182.42 1xpw n LYS 24 N -3.75 2.20 -3.40 1.06 5.02 -1.26 -4.40 118.16 113.64 1xpw n LYS 24 Ca -0.08 -1.81 -0.26 0.00 -2.02 0.00 0.00 58.31 54.14 1xpw n LYS 24 Cb 0.87 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 34.33 1xpw n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xpw n HIS 25 N 1.18 1.68 -3.09 2.13 8.25 -1.22 -4.85 115.22 119.29 1xpw n HIS 25 Ca 0.14 -3.87 -0.24 0.00 -0.26 0.00 0.00 57.72 53.49 1xpw n HIS 25 Cb 0.58 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1xpw n HIS 25 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1xpw s PRO 26 N -1.61 3.25 0.14 -0.41 0.04 -1.21 -2.22 135.00 132.98 1xpw s PRO 26 Ca 0.35 -0.38 0.16 0.00 0.04 0.00 0.00 61.00 61.17 1xpw s PRO 26 Cb 0.12 -2.58 0.73 0.00 0.04 0.00 0.00 34.50 32.81 1xpw s PRO 26 CO -0.09 -0.12 1.50 -2.30 0.04 0.00 0.00 177.00 176.03 1xpw n PRO 27 N -1.99 0.09 0.05 0.56 -0.02 -1.26 -1.74 135.00 130.68 1xpw n PRO 27 Ca -0.01 0.41 0.15 0.00 -2.02 0.00 0.00 63.50 62.03 1xpw n PRO 27 Cb 0.57 -1.70 0.62 0.00 -0.02 0.00 0.00 33.50 32.97 1xpw n PRO 27 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xpw h GLU 28 N 0.00 0.11 -0.03 -0.52 4.39 -1.98 -1.14 114.58 115.41 1xpw h GLU 28 Ca 0.00 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 1xpw h GLU 28 Cb 0.21 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1xpw h GLU 28 CO 0.00 0.07 -0.49 -0.97 -1.16 0.00 0.00 179.01 176.47 1xpw h ASN 29 N 0.11 0.08 -0.31 1.42 -0.73 -1.70 -0.07 115.58 114.39 1xpw h ASN 29 Ca 0.19 -0.04 -0.05 0.00 1.87 0.00 0.00 56.30 58.28 1xpw h ASN 29 Cb 0.61 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.16 1xpw h ASN 29 CO -0.02 0.56 0.05 0.40 -0.37 0.00 0.00 177.43 178.04 1xpw h ILE 30 N 0.06 1.20 -0.47 2.57 2.04 -1.34 0.47 117.51 122.04 1xpw h ILE 30 Ca 0.00 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1xpw h ILE 30 Cb 0.88 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1xpw h ILE 30 CO 0.07 0.28 0.00 2.30 0.00 0.00 0.00 178.15 180.79 1xpw n ILE 31 N -4.28 0.62 -0.02 -0.67 -5.35 -1.03 -4.32 119.36 104.31 1xpw n ILE 31 Ca 0.02 -0.78 -0.02 0.00 -0.27 0.00 0.00 62.75 61.70 1xpw n ILE 31 Cb 0.23 0.78 -0.01 0.00 -1.74 0.00 0.00 39.64 38.91 1xpw n ILE 31 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1xpw n ASP 32 N 1.44 0.41 0.00 7.28 2.03 -0.07 0.03 116.55 127.67 1xpw n ASP 32 Ca 0.20 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1xpw n ASP 32 Cb 0.58 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1xpw n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xpw n GLY 33 N 1.62 1.19 3.62 0.27 0.00 0.03 -4.89 105.19 107.03 1xpw n GLY 33 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1xpw n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xpw s ASN 34 N -2.00 6.75 0.26 1.61 2.47 -1.26 -4.93 114.94 117.85 1xpw s ASN 34 Ca 0.00 0.78 0.20 0.00 0.42 0.00 0.00 52.86 54.26 1xpw s ASN 34 Cb 0.00 -2.45 0.99 0.00 -1.45 0.00 0.00 41.25 38.33 1xpw s ASN 34 CO 0.00 -0.71 1.61 -2.65 -3.72 0.00 0.00 177.10 171.63 1xpw n PRO 35 N 6.45 0.14 0.24 0.43 -0.02 -1.26 -2.85 135.00 138.13 1xpw n PRO 35 Ca 0.07 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.17 1xpw n PRO 35 Cb 0.48 -1.87 0.59 0.00 -0.02 0.00 0.00 33.50 32.68 1xpw n PRO 35 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xpw h GLU 36 N 0.00 0.00 -4.49 -0.52 5.08 -2.03 -3.44 114.58 109.18 1xpw h GLU 36 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1xpw h GLU 36 Cb 0.13 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.23 1xpw h GLU 36 CO 0.00 0.17 -0.66 -0.08 -1.00 0.00 0.00 179.01 177.44 1xpw s THR 37 N -4.42 0.29 0.25 1.13 -1.32 -1.13 -5.17 115.64 105.27 1xpw s THR 37 Ca -0.03 -1.91 -0.15 0.00 -1.21 0.00 0.00 61.69 58.38 1xpw s THR 37 Cb 0.15 -1.94 0.00 0.00 -1.51 0.00 0.00 72.50 69.20 1xpw s THR 37 CO 0.65 -0.59 0.54 0.72 -2.21 0.00 0.00 174.62 173.73 1xpw s PHE 38 N -3.91 0.18 -0.37 9.09 -0.12 -1.26 -4.80 117.98 116.79 1xpw s PHE 38 Ca 0.20 -0.56 -0.18 0.00 -0.05 0.00 0.00 56.93 56.34 1xpw s PHE 38 Cb 0.07 0.34 0.00 0.00 -0.63 0.00 0.00 43.02 42.80 1xpw s PHE 38 CO -0.00 -1.05 0.50 -0.46 -0.05 0.00 0.00 175.22 174.16 1xpw s TRP 39 N -3.98 3.17 0.01 3.49 -0.00 -0.69 -4.60 118.94 116.34 1xpw s TRP 39 Ca 0.18 0.03 -0.00 0.00 -0.00 0.00 0.00 56.10 56.31 1xpw s TRP 39 Cb -0.02 -2.94 -0.04 0.00 -0.00 0.00 0.00 33.47 30.47 1xpw s TRP 39 CO 0.07 -0.59 0.11 -0.08 -0.00 0.00 0.00 176.95 176.46 1xpw s THR 40 N 2.35 4.88 -0.06 5.86 -1.32 -1.26 -1.13 115.64 124.95 1xpw s THR 40 Ca 0.17 -0.40 -0.30 0.00 -1.21 0.00 0.00 61.69 59.95 1xpw s THR 40 Cb -0.16 -3.26 -0.03 0.00 -1.51 0.00 0.00 72.50 67.54 1xpw s THR 40 CO 0.14 0.31 1.15 0.42 -2.21 0.00 0.00 174.62 174.42 1xpw s THR 41 N -1.26 4.40 -1.90 5.08 -4.23 -0.16 -4.78 115.64 112.79 1xpw s THR 41 Ca 0.25 1.71 0.00 0.00 -1.18 0.00 0.00 61.69 62.47 1xpw s THR 41 Cb -0.12 -4.10 0.00 0.00 1.34 0.00 0.00 72.50 69.62 1xpw s THR 41 CO 0.16 0.01 0.85 0.41 -0.54 0.00 0.00 174.62 175.52 1xpw n THR 42 N 4.55 0.00 -0.29 3.99 -1.04 -1.26 -4.46 114.28 115.77 1xpw n THR 42 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1xpw n THR 42 Cb 0.47 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 1xpw n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xpw n GLY 43 N 0.36 0.84 3.40 3.41 0.00 -1.26 -5.02 105.19 106.91 1xpw n GLY 43 Ca 0.00 -0.15 -0.45 0.00 0.00 0.00 0.00 46.02 45.42 1xpw n GLY 43 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xpw s MET 44 N -0.65 3.67 -0.14 1.61 -1.94 -1.26 -5.01 119.30 115.57 1xpw s MET 44 Ca 0.00 -2.17 -0.04 0.00 -1.71 0.00 0.00 55.69 51.76 1xpw s MET 44 Cb 0.00 -4.72 -0.03 0.00 2.01 0.00 0.00 34.83 32.09 1xpw s MET 44 CO 0.00 -1.55 0.00 -0.06 -0.01 0.00 0.00 175.02 173.40 1xpw s PHE 45 N 1.40 3.13 0.64 -0.03 0.40 -1.26 -3.12 117.98 119.13 1xpw s PHE 45 Ca 0.27 -0.05 -0.09 0.00 -0.60 0.00 0.00 56.93 56.46 1xpw s PHE 45 Cb -0.07 -1.95 0.00 0.00 0.51 0.00 0.00 43.02 41.51 1xpw s PHE 45 CO -0.09 0.16 1.00 -1.25 0.70 0.00 0.00 175.22 175.74 1xpw s PRO 46 N 0.03 3.04 0.05 0.24 0.04 -1.26 -5.14 135.00 132.00 1xpw s PRO 46 Ca 0.03 0.33 0.03 0.00 0.04 0.00 0.00 61.00 61.43 1xpw s PRO 46 Cb -0.13 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 1xpw s PRO 46 CO 0.02 -0.79 -0.09 1.14 0.04 0.00 0.00 177.00 177.31 1xpw s GLN 47 N -5.16 0.60 0.04 4.56 -2.07 -0.71 -5.03 119.66 111.89 1xpw s GLN 47 Ca 0.55 -0.80 0.02 0.00 -1.82 0.00 0.00 55.36 53.32 1xpw s GLN 47 Cb -0.11 -0.42 -0.02 0.00 -1.09 0.00 0.00 33.01 31.36 1xpw s GLN 47 CO 0.49 0.08 -0.08 -1.83 -1.32 0.00 0.00 175.29 172.64 1xpw s GLU 48 N -1.59 0.55 -0.13 9.60 -1.05 -1.26 -0.42 118.70 124.40 1xpw s GLU 48 Ca -0.08 -0.78 -0.08 0.00 -0.15 0.00 0.00 54.97 53.87 1xpw s GLU 48 Cb -0.10 -0.31 0.05 0.00 -0.44 0.00 0.00 34.13 33.33 1xpw s GLU 48 CO 0.01 0.05 0.32 -0.59 0.95 0.00 0.00 175.26 176.00 1xpw s PHE 49 N -1.46 -0.43 -0.13 4.83 -0.71 -0.76 -1.92 117.98 117.40 1xpw s PHE 49 Ca -0.09 0.97 -0.04 0.00 -1.04 0.00 0.00 56.93 56.73 1xpw s PHE 49 Cb -0.09 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.82 1xpw s PHE 49 CO 0.00 -0.25 0.02 0.42 -1.34 0.00 0.00 175.22 174.07 1xpw s ILE 50 N 0.98 4.45 -0.29 -4.49 1.01 -0.81 -1.59 121.20 120.46 1xpw s ILE 50 Ca -0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 1xpw s ILE 50 Cb -0.07 -2.93 0.01 0.00 0.01 0.00 0.00 42.46 39.48 1xpw s ILE 50 CO -0.07 0.54 0.06 -0.63 0.00 0.00 0.00 174.94 174.84 1xpw s ILE 51 N -0.25 3.80 -0.40 2.92 1.01 0.36 -0.38 121.20 128.26 1xpw s ILE 51 Ca 0.07 -0.75 -0.19 0.00 0.00 0.00 0.00 60.65 59.78 1xpw s ILE 51 Cb -0.12 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.40 1xpw s ILE 51 CO 0.02 0.09 0.53 0.00 0.00 0.00 0.00 174.94 175.58 1xpw h PHE 53 N 8.67 0.00 0.00 0.00 0.04 -1.08 0.13 116.94 124.70 1xpw h PHE 53 Ca -0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1xpw h PHE 53 Cb 1.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.26 1xpw h PHE 53 CO 0.70 0.00 0.00 0.72 -0.60 0.00 0.00 178.31 179.13 1xpw n HIS 54 N -2.96 0.00 -4.09 -0.55 8.25 -1.25 -4.08 115.22 110.54 1xpw n HIS 54 Ca 0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.34 1xpw n HIS 54 Cb 0.33 -0.85 -0.05 0.00 1.12 0.00 0.00 29.99 30.54 1xpw n HIS 54 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1xpw s LYS 55 N -0.46 1.81 -0.34 -0.41 -2.85 -1.26 -4.69 119.74 111.53 1xpw s LYS 55 Ca 0.00 -1.69 -0.16 0.00 -1.00 0.00 0.00 55.97 53.12 1xpw s LYS 55 Cb 0.00 0.43 -0.01 0.00 -2.06 0.00 0.00 37.83 36.19 1xpw s LYS 55 CO 0.00 -0.74 0.43 -1.01 0.10 0.00 0.00 175.35 174.13 1xpw s HIS 56 N -3.28 3.20 -0.02 1.78 3.76 0.10 -4.30 115.29 116.54 1xpw s HIS 56 Ca 0.30 0.09 0.06 0.00 -0.15 0.00 0.00 55.06 55.37 1xpw s HIS 56 Cb 0.00 -2.77 -0.02 0.00 1.11 0.00 0.00 32.58 30.90 1xpw s HIS 56 CO 0.18 -0.46 -0.21 0.14 -0.85 0.00 0.00 174.74 173.54 1xpw s VAL 57 N 2.17 2.50 -0.45 -0.90 -7.23 -1.17 -1.00 120.40 114.33 1xpw s VAL 57 Ca 0.15 -1.00 -0.17 0.00 -1.81 0.00 0.00 61.98 59.14 1xpw s VAL 57 Cb -0.16 -1.94 0.04 0.00 0.56 0.00 0.00 36.38 34.88 1xpw s VAL 57 CO 0.12 0.54 0.47 -0.60 -0.31 0.00 0.00 175.10 175.33 1xpw s ARG 58 N -0.79 3.08 -0.17 4.82 3.52 0.49 -2.90 118.95 127.00 1xpw s ARG 58 Ca 0.11 -0.87 -0.18 0.00 -0.13 0.00 0.00 55.73 54.66 1xpw s ARG 58 Cb -0.10 -4.02 -0.04 0.00 -1.56 0.00 0.00 34.95 29.23 1xpw s ARG 58 CO 0.00 -0.96 0.48 0.42 -0.81 0.00 0.00 175.30 174.44 1xpw s ILE 59 N 2.17 5.16 -0.22 4.11 1.01 0.70 -0.85 121.20 133.29 1xpw s ILE 59 Ca 0.12 0.91 -0.09 0.00 0.00 0.00 0.00 60.65 61.58 1xpw s ILE 59 Cb -0.18 -3.81 -0.19 0.00 0.01 0.00 0.00 42.46 38.29 1xpw s ILE 59 CO 0.12 0.25 -0.01 1.21 0.00 0.00 0.00 174.94 176.51 1xpw n GLU 60 N 4.26 0.65 -3.90 2.79 2.13 0.55 -1.68 120.64 125.44 1xpw n GLU 60 Ca -0.06 0.29 -0.10 0.00 0.66 0.00 0.00 57.16 57.94 1xpw n GLU 60 Cb 0.51 -1.61 -0.10 0.00 0.27 0.00 0.00 31.44 30.51 1xpw n GLU 60 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1xpw s ARG 61 N -2.50 0.50 -0.35 5.31 0.52 -0.47 -1.65 118.95 120.31 1xpw s ARG 61 Ca -0.31 -0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 54.32 1xpw s ARG 61 Cb 0.09 0.20 0.05 0.00 0.52 0.00 0.00 34.95 35.81 1xpw s ARG 61 CO 0.62 -0.12 0.12 -0.51 0.02 0.00 0.00 175.30 175.42 1xpw s LEU 62 N -1.59 4.41 -0.66 2.53 1.02 0.60 -0.38 118.68 124.61 1xpw s LEU 62 Ca -0.12 -1.23 -0.20 0.00 0.02 0.00 0.00 54.13 52.59 1xpw s LEU 62 Cb -0.06 -1.87 0.09 0.00 0.02 0.00 0.00 46.19 44.38 1xpw s LEU 62 CO -0.00 -0.35 0.87 -0.69 0.02 0.00 0.00 176.35 176.19 1xpw s VAL 63 N 1.38 4.60 -0.26 -1.59 1.01 0.44 -0.60 120.40 125.39 1xpw s VAL 63 Ca -0.01 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 1xpw s VAL 63 Cb -0.20 -4.61 -0.03 0.00 0.00 0.00 0.00 36.38 31.55 1xpw s VAL 63 CO 0.02 -1.31 0.08 -0.63 0.00 0.00 0.00 175.10 173.26 1xpw s ILE 64 N 3.25 4.35 -0.48 2.22 1.01 0.07 -0.74 121.20 130.88 1xpw s ILE 64 Ca 0.18 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.52 1xpw s ILE 64 Cb -0.19 -3.05 0.10 0.00 0.01 0.00 0.00 42.46 39.33 1xpw s ILE 64 CO 0.06 0.31 0.38 -1.10 0.00 0.00 0.00 174.94 174.59 1xpw s GLN 65 N 1.62 2.76 -0.09 2.79 1.11 0.47 -2.11 119.66 126.21 1xpw s GLN 65 Ca 0.06 -1.59 -0.13 0.00 0.01 0.00 0.00 55.36 53.71 1xpw s GLN 65 Cb -0.15 -4.05 0.03 0.00 -1.01 0.00 0.00 33.01 27.83 1xpw s GLN 65 CO 0.04 -1.14 0.33 -1.54 0.01 0.00 0.00 175.29 172.99 1xpw s SER 66 N 2.80 -0.30 0.04 5.90 1.04 -1.26 -0.59 113.70 121.32 1xpw s SER 66 Ca 0.04 0.50 0.06 0.00 0.48 0.00 0.00 55.95 57.02 1xpw s SER 66 Cb -0.26 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 1xpw s SER 66 CO 0.03 -0.23 -0.16 -0.47 0.98 0.00 0.00 173.24 173.39 1xpw s TYR 67 N -0.31 1.43 0.00 5.02 5.04 0.12 -4.71 117.35 123.94 1xpw s TYR 67 Ca -0.04 -0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 1xpw s TYR 67 Cb -0.03 -0.86 0.00 0.00 0.35 0.00 0.00 41.96 41.42 1xpw s TYR 67 CO 0.02 0.05 0.00 1.19 -1.34 0.00 0.00 175.55 175.47 1xpw n PHE 68 N 1.94 0.00 -2.61 4.97 3.72 -1.26 -2.45 117.46 121.76 1xpw n PHE 68 Ca -0.17 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.85 1xpw n PHE 68 Cb 0.54 -0.43 -0.05 0.00 -0.94 0.00 0.00 39.48 38.61 1xpw n PHE 68 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1xpw s VAL 69 N -2.87 3.84 0.00 -4.37 1.01 -1.26 0.31 120.40 117.06 1xpw s VAL 69 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1xpw s VAL 69 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1xpw s VAL 69 CO 0.00 0.13 0.00 1.67 0.00 0.00 0.00 175.10 176.90 1xpw n GLN 70 N 0.40 0.00 -2.87 2.72 0.00 -0.72 -4.11 117.38 112.80 1xpw n GLN 70 Ca 0.03 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.60 1xpw n GLN 70 Cb 0.49 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.68 1xpw n GLN 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1xpw s THR 71 N 0.00 4.46 -0.26 1.69 2.01 -1.00 -0.91 115.64 121.63 1xpw s THR 71 Ca 0.00 0.28 -0.02 0.00 0.31 0.00 0.00 61.69 62.26 1xpw s THR 71 Cb 0.00 -4.49 0.03 0.00 0.01 0.00 0.00 72.50 68.05 1xpw s THR 71 CO 0.00 -1.03 -0.05 -0.22 -0.69 0.00 0.00 174.62 172.64 1xpw s LEU 72 N 3.77 3.31 -0.34 4.42 2.96 -0.93 -1.84 118.68 130.03 1xpw s LEU 72 Ca 0.30 -0.91 -0.16 0.00 -0.22 0.00 0.00 54.13 53.14 1xpw s LEU 72 Cb -0.13 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 1xpw s LEU 72 CO 0.20 -0.15 0.41 -0.75 -1.32 0.00 0.00 176.35 174.74 1xpw s LYS 73 N 1.33 3.63 -0.63 1.98 2.20 0.41 -0.42 119.74 128.24 1xpw s LYS 73 Ca -0.00 -0.29 -0.19 0.00 -0.36 0.00 0.00 55.97 55.12 1xpw s LYS 73 Cb -0.17 -3.79 0.10 0.00 -1.51 0.00 0.00 37.83 32.46 1xpw s LYS 73 CO -0.04 -0.53 0.77 0.42 -0.36 0.00 0.00 175.35 175.61 1xpw s ILE 74 N 2.14 4.75 -0.10 5.43 1.01 -0.69 -0.81 121.20 132.92 1xpw s ILE 74 Ca 0.14 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.72 1xpw s ILE 74 Cb -0.16 -4.54 -0.05 0.00 0.01 0.00 0.00 42.46 37.72 1xpw s ILE 74 CO 0.12 -1.20 0.27 -0.70 0.00 0.00 0.00 174.94 173.42 1xpw s GLU 75 N 2.86 3.86 -0.10 2.79 2.12 -0.09 -2.56 118.70 127.59 1xpw s GLU 75 Ca 0.14 0.10 -0.02 0.00 0.36 0.00 0.00 54.97 55.55 1xpw s GLU 75 Cb -0.22 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 1xpw s GLU 75 CO 0.06 0.57 0.01 0.21 -0.54 0.00 0.00 175.26 175.57 1xpw s LYS 76 N -0.55 3.10 -0.04 4.30 2.20 0.31 -0.43 119.74 128.63 1xpw s LYS 76 Ca 0.18 -0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1xpw s LYS 76 Cb -0.14 -2.84 0.02 0.00 -1.51 0.00 0.00 37.83 33.37 1xpw s LYS 76 CO 0.07 0.65 -0.02 -1.12 -0.36 0.00 0.00 175.35 174.57 1xpw s SER 77 N -0.74 0.78 -0.05 1.43 0.01 -0.39 -1.51 113.70 113.24 1xpw s SER 77 Ca 0.12 -0.07 0.13 0.00 1.31 0.00 0.00 55.95 57.44 1xpw s SER 77 Cb -0.12 -0.34 0.42 0.00 0.21 0.00 0.00 66.02 66.19 1xpw s SER 77 CO 0.02 -0.09 1.35 0.35 0.41 0.00 0.00 173.24 175.28 1xpw n THR 78 N 4.22 1.37 -2.21 1.44 -2.24 -1.26 -0.97 114.28 114.62 1xpw n THR 78 Ca -0.23 -1.22 -0.26 0.00 -2.27 0.00 0.00 64.05 60.07 1xpw n THR 78 Cb 0.51 0.30 0.08 0.00 -2.10 0.00 0.00 70.33 69.11 1xpw n THR 78 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1xpw s SER 79 N -1.20 4.62 0.21 3.42 0.01 -1.26 -4.72 113.70 114.79 1xpw s SER 79 Ca 0.32 0.36 0.10 0.00 1.31 0.00 0.00 55.95 58.04 1xpw s SER 79 Cb 0.20 -0.94 0.08 0.00 0.21 0.00 0.00 66.02 65.57 1xpw s SER 79 CO 0.16 -1.72 1.44 0.50 0.41 0.00 0.00 173.24 174.03 1xpw h LYS 80 N -0.68 0.00 -6.21 12.44 3.11 -1.95 -3.43 116.57 119.84 1xpw h LYS 80 Ca -0.44 0.00 -0.46 0.00 -2.81 0.00 0.00 60.65 56.94 1xpw h LYS 80 Cb 1.30 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.52 1xpw h LYS 80 CO 0.56 0.76 -0.43 -1.21 -2.81 0.00 0.00 179.45 176.33 1xpw s GLU 81 N -3.10 3.31 0.00 1.90 0.41 -1.26 -4.99 118.70 114.98 1xpw s GLU 81 Ca 0.01 -0.85 -0.02 0.00 -0.41 0.00 0.00 54.97 53.70 1xpw s GLU 81 Cb 0.11 -2.83 -0.10 0.00 -1.78 0.00 0.00 34.13 29.53 1xpw s GLU 81 CO 0.78 0.36 2.18 -0.35 -0.49 0.00 0.00 175.26 177.73 1xpw n PRO 82 N -1.42 1.13 -4.54 0.39 -0.04 -1.26 -4.80 135.00 124.46 1xpw n PRO 82 Ca -0.07 -0.36 -0.27 0.00 -0.04 0.00 0.00 63.50 62.76 1xpw n PRO 82 Cb 0.57 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.48 1xpw n PRO 82 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xpw s VAL 83 N 0.93 0.52 -0.26 0.52 -7.23 -1.26 -4.98 120.40 108.64 1xpw s VAL 83 Ca 0.24 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1xpw s VAL 83 Cb 0.11 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.80 1xpw s VAL 83 CO 0.00 0.00 0.11 -0.67 -0.31 0.00 0.00 175.10 174.23 1xpw n ASP 84 N -1.46 -6.56 -4.69 4.85 -0.08 -1.26 -4.46 116.55 102.89 1xpw n ASP 84 Ca -0.07 0.92 -0.35 0.00 -1.51 0.00 0.00 54.79 53.78 1xpw n ASP 84 Cb 0.65 -4.30 -0.09 0.00 2.34 0.00 0.00 41.12 39.71 1xpw n ASP 84 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1xpw s PHE 85 N -1.48 3.30 0.01 -0.67 0.08 -1.26 -4.45 117.98 113.51 1xpw s PHE 85 Ca 0.05 0.18 0.07 0.00 0.12 0.00 0.00 56.93 57.34 1xpw s PHE 85 Cb -0.01 -1.99 -0.02 0.00 -0.57 0.00 0.00 43.02 40.42 1xpw s PHE 85 CO 0.59 0.32 -0.20 -1.83 -0.10 0.00 0.00 175.22 174.00 1xpw s GLU 86 N -0.14 1.50 -0.74 0.44 -1.05 -0.57 -4.97 118.70 113.17 1xpw s GLU 86 Ca 0.07 -0.83 -0.24 0.00 -0.15 0.00 0.00 54.97 53.82 1xpw s GLU 86 Cb -0.12 -1.54 0.06 0.00 -0.44 0.00 0.00 34.13 32.09 1xpw s GLU 86 CO 0.01 0.41 1.13 -0.65 0.95 0.00 0.00 175.26 177.11 1xpw s GLN 87 N -0.83 3.22 0.00 -4.83 -0.21 -1.26 -0.53 119.66 115.22 1xpw s GLN 87 Ca 0.08 -0.74 0.00 0.00 0.02 0.00 0.00 55.36 54.71 1xpw s GLN 87 Cb -0.08 -4.38 0.00 0.00 1.00 0.00 0.00 33.01 29.55 1xpw s GLN 87 CO 0.01 -1.96 0.19 1.87 -2.12 0.00 0.00 175.29 173.27 1xpw n TRP 88 N 8.28 0.00 -3.42 0.91 -0.00 -1.14 -4.92 117.44 117.15 1xpw n TRP 88 Ca 0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.40 1xpw n TRP 88 Cb 0.47 -0.33 -0.10 0.00 -0.00 0.00 0.00 31.31 31.35 1xpw n TRP 88 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 1xpw s ILE 89 N -1.03 -0.44 -0.38 5.87 -4.36 -1.06 -5.05 121.20 114.74 1xpw s ILE 89 Ca 0.00 -0.20 -0.20 0.00 -0.26 0.00 0.00 60.65 59.99 1xpw s ILE 89 Cb 0.00 -0.81 0.01 0.00 1.25 0.00 0.00 42.46 42.91 1xpw s ILE 89 CO 0.00 -0.25 0.60 -0.70 0.24 0.00 0.00 174.94 174.83 1xpw s GLU 90 N 2.41 3.54 -0.09 0.37 2.12 -1.26 -1.71 118.70 124.09 1xpw s GLU 90 Ca 0.09 -0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.32 1xpw s GLU 90 Cb -0.15 -3.85 0.01 0.00 0.26 0.00 0.00 34.13 30.40 1xpw s GLU 90 CO -0.19 -0.79 -0.18 0.21 -0.54 0.00 0.00 175.26 173.77 1xpw s LYS 91 N 2.64 2.44 -0.13 4.30 2.20 0.44 -4.96 119.74 126.68 1xpw s LYS 91 Ca 0.22 -0.66 -0.14 0.00 -0.36 0.00 0.00 55.97 55.02 1xpw s LYS 91 Cb -0.15 -1.92 -0.05 0.00 -1.51 0.00 0.00 37.83 34.21 1xpw s LYS 91 CO 0.15 0.09 0.34 0.16 -0.36 0.00 0.00 175.35 175.73 1xpw s ASP 92 N 0.56 6.53 0.38 1.43 -4.77 -1.26 -2.20 116.67 117.35 1xpw s ASP 92 Ca -0.15 0.63 -0.22 0.00 -3.30 0.00 0.00 52.55 49.50 1xpw s ASP 92 Cb -0.17 -2.21 -0.10 0.00 -1.09 0.00 0.00 42.92 39.35 1xpw s ASP 92 CO 0.05 0.13 0.92 -0.22 0.70 0.00 0.00 175.17 176.75 1xpw s LEU 93 N 0.21 4.07 0.65 2.11 2.96 -0.09 -5.00 118.68 123.60 1xpw s LEU 93 Ca 0.19 1.69 -0.05 0.00 -0.22 0.00 0.00 54.13 55.74 1xpw s LEU 93 Cb -0.14 -4.33 0.04 0.00 0.50 0.00 0.00 46.19 42.27 1xpw s LEU 93 CO 0.06 -0.25 0.94 0.68 -1.32 0.00 0.00 176.35 176.46 1xpw s VAL 94 N -1.99 2.68 -0.24 1.68 -7.23 -1.26 -4.73 120.40 109.32 1xpw s VAL 94 Ca 0.57 -0.28 -0.07 0.00 -1.81 0.00 0.00 61.98 60.40 1xpw s VAL 94 Cb -0.12 -3.11 -0.03 0.00 0.56 0.00 0.00 36.38 33.68 1xpw s VAL 94 CO 0.17 -0.11 0.05 -1.38 -0.31 0.00 0.00 175.10 173.52 1xpw s HIS 95 N -3.09 3.08 -0.19 2.82 -3.43 -1.26 -4.91 115.29 108.30 1xpw s HIS 95 Ca 0.58 -0.45 -0.02 0.00 -0.80 0.00 0.00 55.06 54.38 1xpw s HIS 95 Cb -0.11 -2.20 0.06 0.00 -1.43 0.00 0.00 32.58 28.90 1xpw s HIS 95 CO 0.44 -0.34 -0.00 0.95 -2.00 0.00 0.00 174.74 173.79 1xpw s THR 96 N 1.46 0.85 -0.28 -5.38 -4.23 -1.26 -5.10 115.64 101.70 1xpw s THR 96 Ca 0.06 -0.69 -0.29 0.00 -1.18 0.00 0.00 61.69 59.59 1xpw s THR 96 Cb -0.15 -1.23 -0.02 0.00 1.34 0.00 0.00 72.50 72.44 1xpw s THR 96 CO 0.03 -0.11 1.73 -1.61 -0.54 0.00 0.00 174.62 174.12 1xpw s GLU 97 N 1.72 3.53 0.00 3.99 8.01 -1.26 -2.20 118.70 132.50 1xpw s GLU 97 Ca -0.02 1.53 0.00 0.00 0.01 0.00 0.00 54.97 56.50 1xpw s GLU 97 Cb -0.17 -4.13 0.00 0.00 -4.31 0.00 0.00 34.13 25.52 1xpw s GLU 97 CO -0.07 -1.62 0.00 0.41 0.01 0.00 0.00 175.26 173.99 1xpw n GLY 98 N 5.12 0.60 3.33 -1.39 0.00 -1.26 -4.97 105.19 106.62 1xpw n GLY 98 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1xpw n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xpw s GLN 99 N -0.37 3.11 -0.76 1.61 -1.52 -0.93 -5.05 119.66 115.75 1xpw s GLN 99 Ca 0.00 -0.84 -0.24 0.00 -1.95 0.00 0.00 55.36 52.33 1xpw s GLN 99 Cb 0.00 -3.30 0.05 0.00 -0.22 0.00 0.00 33.01 29.54 1xpw s GLN 99 CO 0.00 -0.41 1.18 -1.17 -0.25 0.00 0.00 175.29 174.64 1xpw s LEU 100 N 1.48 3.79 -0.33 2.90 0.20 -1.26 -4.61 118.68 120.85 1xpw s LEU 100 Ca 0.03 -0.90 -0.16 0.00 0.69 0.00 0.00 54.13 53.79 1xpw s LEU 100 Cb -0.17 -2.50 -0.01 0.00 -0.43 0.00 0.00 46.19 43.08 1xpw s LEU 100 CO 0.01 -1.60 0.41 -1.10 -0.29 0.00 0.00 176.35 173.78 1xpw s GLN 101 N 4.81 3.68 0.14 1.98 -1.52 -1.26 -5.06 119.66 122.43 1xpw s GLN 101 Ca 0.32 -0.24 -0.30 0.00 -1.95 0.00 0.00 55.36 53.18 1xpw s GLN 101 Cb -0.10 -3.77 -0.07 0.00 -0.22 0.00 0.00 33.01 28.85 1xpw s GLN 101 CO 0.08 -0.50 0.97 -0.80 -0.25 0.00 0.00 175.29 174.79 1xpw s ASN 102 N 1.72 7.50 -0.54 5.90 -0.87 -1.26 -4.82 114.94 122.57 1xpw s ASN 102 Ca 0.14 1.85 -0.17 0.00 -1.57 0.00 0.00 52.86 53.12 1xpw s ASN 102 Cb -0.16 -2.59 0.10 0.00 -0.02 0.00 0.00 41.25 38.57 1xpw s ASN 102 CO 0.12 -0.05 0.57 -0.70 -2.57 0.00 0.00 177.10 174.47 1xpw s GLU 103 N -0.24 3.03 -0.57 -0.60 2.56 -0.90 -4.99 118.70 116.99 1xpw s GLU 103 Ca 0.46 -1.38 -0.18 0.00 0.00 0.00 0.00 54.97 53.87 1xpw s GLU 103 Cb -0.24 -4.22 0.11 0.00 2.00 0.00 0.00 34.13 31.77 1xpw s GLU 103 CO 0.31 -1.32 0.63 -1.21 -0.56 0.00 0.00 175.26 173.10 1xpw s GLU 104 N 2.13 3.03 -0.53 4.30 8.01 -1.26 -0.75 118.70 133.62 1xpw s GLU 104 Ca 0.08 -1.43 -0.21 0.00 0.01 0.00 0.00 54.97 53.42 1xpw s GLU 104 Cb -0.25 -4.27 0.06 0.00 -4.31 0.00 0.00 34.13 25.36 1xpw s GLU 104 CO 0.06 -1.45 0.74 0.42 0.01 0.00 0.00 175.26 175.04 1xpw s ILE 105 N 2.31 4.70 -0.77 -1.63 1.01 0.23 -4.88 121.20 122.17 1xpw s ILE 105 Ca 0.09 -0.29 -0.26 0.00 0.00 0.00 0.00 60.65 60.19 1xpw s ILE 105 Cb -0.26 -4.40 0.02 0.00 0.01 0.00 0.00 42.46 37.83 1xpw s ILE 105 CO 0.05 -0.95 1.41 0.54 0.00 0.00 0.00 174.94 175.99 1xpw s VAL 106 N 3.09 3.69 -0.05 2.92 0.11 -1.26 -0.29 120.40 128.62 1xpw s VAL 106 Ca 0.20 0.17 -0.02 0.00 -2.93 0.00 0.00 61.98 59.40 1xpw s VAL 106 Cb -0.17 -4.78 0.03 0.00 -1.53 0.00 0.00 36.38 29.93 1xpw s VAL 106 CO 0.14 -1.72 0.08 0.00 -3.33 0.00 0.00 175.10 170.27 1xpw s ALA 107 N 6.20 0.12 -0.35 1.54 0.00 -0.66 -4.99 121.76 123.62 1xpw s ALA 107 Ca 0.42 0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.53 1xpw s ALA 107 Cb -0.07 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1xpw s ALA 107 CO 0.11 -0.44 0.29 -1.01 0.00 0.00 0.00 175.76 174.71 1xpw s HIS 108 N 2.00 3.22 0.37 0.00 3.76 -1.25 -3.99 115.29 119.41 1xpw s HIS 108 Ca 0.02 -0.22 -0.14 0.00 -0.15 0.00 0.00 55.06 54.56 1xpw s HIS 108 Cb -0.12 -2.56 0.05 0.00 1.11 0.00 0.00 32.58 31.05 1xpw s HIS 108 CO -0.04 -0.43 0.75 0.20 -0.85 0.00 0.00 174.74 174.38 1xpw s GLY 109 N 1.72 0.47 -0.04 -2.22 0.00 -0.68 -5.00 107.32 101.58 1xpw s GLY 109 Ca 0.08 -0.81 -0.01 0.00 0.00 0.00 0.00 44.72 43.97 1xpw s GLY 109 CO 0.11 -0.38 0.03 -0.56 0.00 0.00 0.00 173.10 172.30 1xpw s SER 110 N -3.08 0.95 0.14 1.64 0.01 -1.26 -0.21 113.70 111.89 1xpw s SER 110 Ca 0.17 0.01 -0.06 0.00 1.31 0.00 0.00 55.95 57.37 1xpw s SER 110 Cb -0.05 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.93 1xpw s SER 110 CO 0.12 -0.18 0.19 0.00 0.41 0.00 0.00 173.24 173.78 1xpw s ALA 111 N 1.70 0.27 -0.09 1.44 0.00 -1.14 -4.82 121.76 119.11 1xpw s ALA 111 Ca -0.00 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 50.99 1xpw s ALA 111 Cb -0.13 0.80 -0.12 0.00 0.00 0.00 0.00 23.12 23.67 1xpw s ALA 111 CO -0.03 -0.57 0.05 0.25 0.00 0.00 0.00 175.76 175.45 1xpw n THR 112 N -0.15 0.62 -4.66 0.00 -2.24 -0.66 -3.02 114.28 104.17 1xpw n THR 112 Ca -0.08 -0.40 -0.25 0.00 -2.27 0.00 0.00 64.05 61.05 1xpw n THR 112 Cb 0.63 -0.67 -0.16 0.00 -2.10 0.00 0.00 70.33 68.03 1xpw n THR 112 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1xpw s TYR 113 N -2.27 1.55 -0.18 4.78 1.51 -0.14 -0.57 117.35 122.03 1xpw s TYR 113 Ca -0.05 -0.55 -0.01 0.00 -1.01 0.00 0.00 57.07 55.45 1xpw s TYR 113 Cb 0.03 -1.11 -0.00 0.00 -0.11 0.00 0.00 41.96 40.77 1xpw s TYR 113 CO 0.40 -0.26 -0.11 -0.51 -1.11 0.00 0.00 175.55 173.96 1xpw s LEU 114 N 0.52 2.63 -0.47 -1.29 1.43 -0.64 -1.26 118.68 119.59 1xpw s LEU 114 Ca -0.13 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.44 1xpw s LEU 114 Cb -0.15 -1.63 0.12 0.00 0.03 0.00 0.00 46.19 44.56 1xpw s LEU 114 CO 0.04 0.05 0.35 -0.60 0.23 0.00 0.00 176.35 176.42 1xpw s ARG 115 N 1.03 2.50 -0.46 1.70 3.52 0.43 -0.49 118.95 127.18 1xpw s ARG 115 Ca -0.01 -1.76 -0.23 0.00 -0.13 0.00 0.00 55.73 53.61 1xpw s ARG 115 Cb -0.15 -3.94 0.03 0.00 -1.56 0.00 0.00 34.95 29.33 1xpw s ARG 115 CO -0.02 -1.20 0.79 -0.06 -0.81 0.00 0.00 175.30 174.00 1xpw s PHE 116 N 1.37 2.98 -0.30 5.12 0.08 -0.62 -0.91 117.98 125.71 1xpw s PHE 116 Ca 0.06 0.13 -0.08 0.00 0.12 0.00 0.00 56.93 57.15 1xpw s PHE 116 Cb -0.26 -3.68 0.00 0.00 -0.57 0.00 0.00 43.02 38.51 1xpw s PHE 116 CO -0.00 -1.01 0.11 0.42 -0.10 0.00 0.00 175.22 174.63 1xpw s ILE 117 N 3.31 4.21 -0.51 0.64 1.01 0.01 -1.84 121.20 128.03 1xpw s ILE 117 Ca 0.29 -0.60 -0.17 0.00 0.00 0.00 0.00 60.65 60.18 1xpw s ILE 117 Cb -0.12 -3.16 0.09 0.00 0.01 0.00 0.00 42.46 39.27 1xpw s ILE 117 CO 0.22 0.07 0.50 -0.63 0.00 0.00 0.00 174.94 175.10 1xpw s ILE 118 N 1.54 5.12 -0.05 2.92 1.01 0.45 -0.44 121.20 131.74 1xpw s ILE 118 Ca 0.03 -1.07 -0.19 0.00 0.00 0.00 0.00 60.65 59.42 1xpw s ILE 118 Cb -0.17 -4.26 -0.31 0.00 0.01 0.00 0.00 42.46 37.73 1xpw s ILE 118 CO 0.04 -0.76 0.83 0.58 0.00 0.00 0.00 174.94 175.62 1xpw h VAL 119 N 5.83 1.35 -3.99 2.92 2.07 -1.61 -1.89 116.25 120.93 1xpw h VAL 119 Ca -0.29 -2.53 -0.10 0.00 0.82 0.00 0.00 66.70 64.60 1xpw h VAL 119 Cb 1.10 3.05 -0.14 0.00 -1.52 0.00 0.00 31.29 33.78 1xpw h VAL 119 CO 0.96 0.73 -0.50 -0.94 0.02 0.00 0.00 177.57 177.84 1xpw s SER 120 N -7.09 0.28 0.21 0.57 1.04 -1.25 -4.46 113.70 103.00 1xpw s SER 120 Ca -0.14 -0.80 -0.01 0.00 0.48 0.00 0.00 55.95 55.48 1xpw s SER 120 Cb 0.02 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 1xpw s SER 120 CO 0.83 -0.67 0.14 0.00 0.98 0.00 0.00 173.24 174.52 1xpw s ALA 121 N -3.88 1.18 -0.11 5.32 0.00 -1.26 -1.76 121.76 121.24 1xpw s ALA 121 Ca 0.06 -1.70 0.29 0.00 0.00 0.00 0.00 51.96 50.60 1xpw s ALA 121 Cb 0.06 1.39 0.92 0.00 0.00 0.00 0.00 23.12 25.49 1xpw s ALA 121 CO -0.11 -0.60 1.82 0.74 0.00 0.00 0.00 175.76 177.62 1xpw h PHE 122 N 2.60 0.00 -3.91 0.00 0.04 -0.40 -3.44 116.94 111.82 1xpw h PHE 122 Ca -0.35 0.00 -0.41 0.00 2.80 0.00 0.00 57.97 60.00 1xpw h PHE 122 Cb 1.25 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.26 1xpw h PHE 122 CO 0.40 0.02 -0.56 0.34 -0.60 0.00 0.00 178.31 177.91 1xpw s ASP 123 N -5.94 1.54 0.30 2.17 2.15 -1.26 -5.04 116.67 110.61 1xpw s ASP 123 Ca 0.03 -1.55 0.25 0.00 0.43 0.00 0.00 52.55 51.72 1xpw s ASP 123 Cb 0.07 0.37 0.65 0.00 -0.30 0.00 0.00 42.92 43.71 1xpw s ASP 123 CO 0.60 -0.88 1.72 -0.74 -0.17 0.00 0.00 175.17 175.70 1xpw h HIS 124 N 2.21 0.00 -3.22 -5.34 -0.00 -1.95 -3.41 115.15 103.44 1xpw h HIS 124 Ca -0.34 0.00 -0.67 0.00 -0.00 0.00 0.00 60.37 59.37 1xpw h HIS 124 Cb 1.25 0.00 -0.32 0.00 -0.00 0.00 0.00 27.41 28.34 1xpw h HIS 124 CO 1.01 0.00 -0.81 -0.06 -0.00 0.00 0.00 177.93 178.06 1xpw s PHE 125 N -3.15 2.81 0.43 5.26 0.08 -1.26 -4.30 117.98 117.84 1xpw s PHE 125 Ca 0.09 -1.26 0.06 0.00 0.12 0.00 0.00 56.93 55.94 1xpw s PHE 125 Cb 0.10 -1.94 -0.06 0.00 -0.57 0.00 0.00 43.02 40.55 1xpw s PHE 125 CO 0.62 -0.62 0.09 0.00 -0.10 0.00 0.00 175.22 175.21 1xpw s ALA 126 N 1.12 3.47 -0.09 5.36 0.00 -1.26 -4.93 121.76 125.43 1xpw s ALA 126 Ca 0.01 -2.00 -0.04 0.00 0.00 0.00 0.00 51.96 49.92 1xpw s ALA 126 Cb -0.14 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 22.93 1xpw s ALA 126 CO -0.06 -0.14 0.21 0.45 0.00 0.00 0.00 175.76 176.22 1xpw s SER 127 N -3.82 -0.04 -0.12 0.00 0.15 -1.03 -0.99 113.70 107.85 1xpw s SER 127 Ca 0.34 0.44 0.03 0.00 0.70 0.00 0.00 55.95 57.46 1xpw s SER 127 Cb 0.06 0.35 0.01 0.00 -1.71 0.00 0.00 66.02 64.73 1xpw s SER 127 CO 0.18 -0.18 -0.23 0.54 1.20 0.00 0.00 173.24 174.76 1xpw s VAL 128 N 1.47 2.04 -0.22 4.45 0.11 -0.29 -0.70 120.40 127.25 1xpw s VAL 128 Ca -0.07 -0.99 -0.03 0.00 -2.93 0.00 0.00 61.98 57.96 1xpw s VAL 128 Cb -0.11 -1.78 -0.19 0.00 -1.53 0.00 0.00 36.38 32.77 1xpw s VAL 128 CO -0.07 0.55 -0.07 1.57 -3.33 0.00 0.00 175.10 173.75 1xpw n HIS 129 N 3.79 0.37 -3.63 1.54 -0.00 0.24 -1.71 115.22 115.83 1xpw n HIS 129 Ca -0.20 0.09 -0.04 0.00 0.46 0.00 0.00 57.72 58.03 1xpw n HIS 129 Cb 0.52 -1.05 -0.07 0.00 -0.12 0.00 0.00 29.99 29.28 1xpw n HIS 129 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1xpw s SER 130 N -6.78 -0.77 -0.66 0.26 0.15 -1.18 -4.04 113.70 100.67 1xpw s SER 130 Ca -0.32 1.21 -0.05 0.00 0.70 0.00 0.00 55.95 57.49 1xpw s SER 130 Cb 0.09 1.38 0.17 0.00 -1.71 0.00 0.00 66.02 65.95 1xpw s SER 130 CO 0.63 -0.19 0.50 0.68 1.20 0.00 0.00 173.24 176.07 1xpw s VAL 131 N 1.63 4.12 0.01 4.45 -7.23 -1.26 -0.40 120.40 121.72 1xpw s VAL 131 Ca -0.09 -2.83 -0.18 0.00 -1.81 0.00 0.00 61.98 57.07 1xpw s VAL 131 Cb -0.05 -3.65 -0.06 0.00 0.56 0.00 0.00 36.38 33.19 1xpw s VAL 131 CO -0.18 -0.91 0.51 -0.44 -0.31 0.00 0.00 175.10 173.78 1xpw s SER 132 N 1.05 6.93 -0.38 4.85 0.01 0.08 -4.73 113.70 121.49 1xpw s SER 132 Ca 0.17 1.10 -0.10 0.00 1.31 0.00 0.00 55.95 58.42 1xpw s SER 132 Cb -0.18 -2.32 0.04 0.00 0.21 0.00 0.00 66.02 63.77 1xpw s SER 132 CO -0.04 0.23 0.21 0.00 0.41 0.00 0.00 173.24 174.05 1xpw s ALA 133 N -0.73 3.27 -0.26 1.44 0.00 -1.26 -0.42 121.76 123.80 1xpw s ALA 133 Ca 0.27 -1.82 -0.13 0.00 0.00 0.00 0.00 51.96 50.28 1xpw s ALA 133 Cb -0.18 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1xpw s ALA 133 CO 0.16 -1.45 0.28 -2.00 0.00 0.00 0.00 175.76 172.75 1xpw s GLU 134 N 1.52 4.02 0.00 0.00 -6.30 0.49 0.47 118.70 118.89 1xpw s GLU 134 Ca 0.02 -0.12 0.00 0.00 -2.50 0.00 0.00 54.97 52.37 1xpw s GLU 134 Cb -0.20 -3.62 0.00 0.00 0.00 0.00 0.00 34.13 30.31 1xpw s GLU 134 CO 0.05 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.59 1xpw n GLY 135 N 4.66 0.16 3.14 -1.50 0.00 -1.16 -0.33 105.19 110.16 1xpw n GLY 135 Ca -0.11 0.43 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 1xpw n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xpw s THR 136 N 2.36 0.04 -0.56 2.61 -4.23 -0.03 -1.04 115.64 114.79 1xpw s THR 136 Ca 0.00 -0.36 -0.28 0.00 -1.18 0.00 0.00 61.69 59.87 1xpw s THR 136 Cb 0.00 -0.43 0.02 0.00 1.34 0.00 0.00 72.50 73.43 1xpw s THR 136 CO 0.00 -0.20 1.37 0.68 -0.54 0.00 0.00 174.62 175.93 1xpw s VAL 137 N -0.76 3.83 0.11 2.29 -7.23 -1.26 -0.38 120.40 116.99 1xpw s VAL 137 Ca -0.08 0.72 -0.02 0.00 -1.81 0.00 0.00 61.98 60.78 1xpw s VAL 137 Cb -0.05 -4.49 -0.23 0.00 0.56 0.00 0.00 36.38 32.17 1xpw s VAL 137 CO 0.02 -1.20 1.23 1.62 -0.31 0.00 0.00 175.10 176.46 1xpw h VAL 138 N 6.34 1.50 -1.57 1.32 3.04 -1.82 -3.44 116.25 121.62 1xpw h VAL 138 Ca -0.27 -2.89 -0.03 0.00 -1.01 0.00 0.00 66.70 62.50 1xpw h VAL 138 Cb 1.09 2.75 -0.25 0.00 -2.01 0.00 0.00 31.29 32.86 1xpw h VAL 138 CO 1.18 0.85 -0.36 -0.44 -1.01 0.00 0.00 177.57 177.78 1xpw s SER 139 N -7.06 -0.57 0.47 3.17 0.01 -0.17 -5.03 113.70 104.53 1xpw s SER 139 Ca -0.04 0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1xpw s SER 139 Cb 0.08 1.65 0.00 0.00 0.21 0.00 0.00 66.02 67.96 1xpw s SER 139 CO 0.86 -0.27 0.00 0.59 0.41 0.00 0.00 173.24 174.83 1xpw n ASN 140 N 5.40 -0.06 -0.07 2.44 3.02 -1.26 0.01 115.26 124.74 1xpw n ASN 140 Ca -0.03 -0.44 -0.05 0.00 -0.03 0.00 0.00 54.58 54.02 1xpw n ASN 140 Cb 0.50 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.82 1xpw n ASN 140 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1xpw h LEU 141 N 0.00 0.70 0.00 3.41 -0.00 -1.96 -3.42 115.31 114.03 1xpw h LEU 141 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 1xpw h LEU 141 Cb 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.47 1xpw h LEU 141 CO 0.00 0.86 0.00 -1.20 -0.00 0.00 0.00 178.44 178.10 1xpw n SER 142 N -4.15 0.00 0.00 -0.43 7.64 -1.26 -5.13 113.62 110.29 1xpw n SER 142 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1xpw n SER 142 Cb 0.38 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 1xpw n SER 142 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83