#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 1.94 -1.02 3.17 1.70 -1.26 -4.86 118.95 118.61 1xpw s ARG 2 Ca 0.00 -2.18 -0.01 0.00 -0.47 0.00 0.00 55.73 53.07 1xpw s ARG 2 Cb 0.00 -0.79 -0.01 0.00 -0.57 0.00 0.00 34.95 33.58 1xpw s ARG 2 CO 0.00 -0.42 0.86 1.17 -1.08 0.00 0.00 175.30 175.83 1xpw n LYS 3 N -0.94 -5.03 -3.61 3.89 4.81 -0.84 -4.99 118.16 111.45 1xpw n LYS 3 Ca -0.07 0.74 -0.38 0.00 -0.87 0.00 0.00 58.31 57.73 1xpw n LYS 3 Cb 0.65 -5.41 -0.06 0.00 0.02 0.00 0.00 35.03 30.24 1xpw n LYS 3 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1xpw s ILE 4 N -3.32 5.17 -0.91 3.15 2.07 -1.09 -4.77 121.20 121.51 1xpw s ILE 4 Ca 0.08 0.65 -0.24 0.00 -1.41 0.00 0.00 60.65 59.72 1xpw s ILE 4 Cb -0.01 -3.62 -0.01 0.00 0.13 0.00 0.00 42.46 38.95 1xpw s ILE 4 CO 0.64 0.59 1.76 -1.81 -1.91 0.00 0.00 174.94 174.20 1xpw s ASP 5 N -1.07 5.62 0.00 4.50 1.11 -1.26 -3.34 116.67 122.23 1xpw s ASP 5 Ca 0.21 -0.81 0.17 0.00 0.18 0.00 0.00 52.55 52.29 1xpw s ASP 5 Cb -0.15 -2.56 0.88 0.00 1.07 0.00 0.00 42.92 42.16 1xpw s ASP 5 CO 0.11 -2.29 1.58 0.18 1.18 0.00 0.00 175.17 175.93 1xpw n LEU 6 N 12.10 0.37 -0.47 1.23 4.77 -0.38 -3.29 117.00 131.33 1xpw n LEU 6 Ca 0.34 -0.16 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1xpw n LEU 6 Cb 0.49 -0.03 0.25 0.00 -2.33 0.00 0.00 43.42 41.80 1xpw n LEU 6 CO 0.63 0.08 0.59 0.00 -1.33 0.00 0.00 177.39 177.36 1xpw s LEU 8 N -2.33 3.87 0.54 0.00 1.43 -1.21 -4.25 118.68 116.73 1xpw s LEU 8 Ca 0.26 1.69 0.32 0.00 -1.03 0.00 0.00 54.13 55.37 1xpw s LEU 8 Cb 0.19 -4.54 1.46 0.00 0.03 0.00 0.00 46.19 43.34 1xpw s LEU 8 CO 0.47 -0.46 2.04 0.77 0.23 0.00 0.00 176.35 179.40 1xpw h SER 9 N 1.67 0.00 0.23 2.29 4.64 -0.10 -0.59 113.55 121.69 1xpw h SER 9 Ca -0.49 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.79 1xpw h SER 9 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1xpw h SER 9 CO 0.61 0.08 -0.20 -1.28 -0.87 0.00 0.00 176.83 175.17 1xpw h SER 10 N 0.00 0.00 -0.04 4.97 0.87 -1.87 -0.64 113.55 116.83 1xpw h SER 10 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xpw h SER 10 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1xpw h SER 10 CO 0.01 0.20 0.00 -0.62 -0.53 0.00 0.00 176.83 175.89 1xpw n GLU 11 N -4.18 1.35 -0.78 2.24 -0.58 -0.27 -4.87 120.64 113.54 1xpw n GLU 11 Ca -0.02 -0.51 0.00 0.00 -0.42 0.00 0.00 57.16 56.21 1xpw n GLU 11 Cb 0.26 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 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 1.03 0.66 3.79 0.62 0.00 -0.25 -4.89 105.19 106.15 1xpw n GLY 12 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.19 7.03 -0.06 1.61 0.01 -0.95 -4.30 113.70 114.84 1xpw s SER 13 Ca 0.00 1.89 -0.08 0.00 1.31 0.00 0.00 55.95 59.07 1xpw s SER 13 Cb 0.00 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.67 1xpw s SER 13 CO 0.00 -0.30 0.21 -0.70 0.41 0.00 0.00 173.24 172.87 1xpw s GLU 14 N -2.45 0.33 0.04 12.44 2.12 0.48 -4.02 118.70 127.64 1xpw s GLU 14 Ca 0.56 0.15 -0.22 0.00 0.36 0.00 0.00 54.97 55.81 1xpw s GLU 14 Cb -0.18 0.15 -0.06 0.00 0.26 0.00 0.00 34.13 34.30 1xpw s GLU 14 CO 0.23 -0.06 0.67 0.14 -0.54 0.00 0.00 175.26 175.71 1xpw s VAL 15 N -0.24 4.77 -0.00 3.70 -7.23 -1.26 -0.73 120.40 119.40 1xpw s VAL 15 Ca -0.03 1.42 0.01 0.00 -1.81 0.00 0.00 61.98 61.57 1xpw s VAL 15 Cb -0.03 -4.01 -0.00 0.00 0.56 0.00 0.00 36.38 32.90 1xpw s VAL 15 CO 0.01 0.43 -0.03 -0.51 -0.31 0.00 0.00 175.10 174.68 1xpw s ILE 16 N -0.35 0.25 -0.34 -0.62 2.07 0.48 -4.96 121.20 117.73 1xpw s ILE 16 Ca 0.34 -0.13 -0.08 0.00 -1.41 0.00 0.00 60.65 59.37 1xpw s ILE 16 Cb -0.20 -0.22 0.01 0.00 0.13 0.00 0.00 42.46 42.18 1xpw s ILE 16 CO 0.20 0.07 0.30 -0.11 -1.91 0.00 0.00 174.94 173.50 1xpw n LEU 17 N 3.04 -7.42 -4.51 8.50 0.00 -1.26 -1.81 117.00 113.54 1xpw n LEU 17 Ca -0.13 0.85 -0.37 0.00 0.00 0.00 0.00 56.01 56.36 1xpw n LEU 17 Cb 0.59 -3.15 -0.12 0.00 0.00 0.00 0.00 43.42 40.73 1xpw n LEU 17 CO 0.26 -2.48 -0.24 0.00 0.00 0.00 0.00 177.39 174.92 1xpw s ALA 18 N -2.02 3.31 0.13 1.96 0.00 -1.26 -2.99 121.76 120.88 1xpw s ALA 18 Ca 0.13 -1.07 -0.23 0.00 0.00 0.00 0.00 51.96 50.79 1xpw s ALA 18 Cb -0.04 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 1xpw s ALA 18 CO 0.70 -0.42 1.66 1.15 0.00 0.00 0.00 175.76 178.85 1xpw h THR 19 N 5.40 0.54 -3.23 0.00 2.02 -1.94 -3.39 112.91 112.32 1xpw h THR 19 Ca -0.37 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.32 1xpw h THR 19 Cb 1.18 0.54 -0.38 0.00 -1.74 0.00 0.00 68.15 67.75 1xpw h THR 19 CO 0.59 0.00 -0.78 -0.94 0.37 0.00 0.00 175.52 174.75 1xpw s SER 20 N -5.01 2.05 -0.21 4.18 1.04 -1.26 -5.02 113.70 109.47 1xpw s SER 20 Ca -0.15 -0.28 -0.00 0.00 0.48 0.00 0.00 55.95 56.00 1xpw s SER 20 Cb 0.10 -0.67 0.02 0.00 0.10 0.00 0.00 66.02 65.57 1xpw s SER 20 CO 0.67 -0.17 -0.14 -0.55 0.98 0.00 0.00 173.24 174.03 1xpw s SER 21 N 1.82 3.64 0.15 7.02 0.15 -1.26 -4.72 113.70 120.50 1xpw s SER 21 Ca 0.04 -0.72 0.07 0.00 0.70 0.00 0.00 55.95 56.05 1xpw s SER 21 Cb -0.13 -1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 1xpw s SER 21 CO -0.07 -0.04 -0.03 -0.62 1.20 0.00 0.00 173.24 173.67 1xpw s ASP 22 N 1.31 4.64 0.28 5.45 2.15 -1.17 -5.02 116.67 124.32 1xpw s ASP 22 Ca 0.03 -0.40 0.25 0.00 0.43 0.00 0.00 52.55 52.86 1xpw s ASP 22 Cb -0.14 -0.95 0.70 0.00 -0.30 0.00 0.00 42.92 42.23 1xpw s ASP 22 CO -0.09 0.12 1.73 1.05 -0.17 0.00 0.00 175.17 177.81 1xpw h GLU 23 N 2.98 0.00 0.00 4.34 4.11 -1.99 -2.55 114.58 121.47 1xpw h GLU 23 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1xpw h GLU 23 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1xpw h GLU 23 CO 0.56 0.00 -1.43 1.17 0.07 0.00 0.00 179.01 179.38 1xpw n LYS 24 N -2.51 0.56 -3.38 1.06 3.00 -1.26 -4.61 118.16 111.02 1xpw n LYS 24 Ca 0.05 -0.09 -0.26 0.00 -0.00 0.00 0.00 58.31 58.01 1xpw n LYS 24 Cb 0.44 -1.46 -0.09 0.00 0.00 0.00 0.00 35.03 33.93 1xpw n LYS 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1xpw n HIS 25 N -1.84 0.65 -2.93 5.64 8.25 -1.12 -4.91 115.22 118.96 1xpw n HIS 25 Ca -0.00 -3.69 -0.40 0.00 -0.26 0.00 0.00 57.72 53.37 1xpw n HIS 25 Cb 0.42 -0.25 -0.05 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.10 4.55 0.14 -0.41 0.05 -0.98 -3.04 135.00 134.21 1xpw s PRO 26 Ca 0.34 1.16 0.16 0.00 0.05 0.00 0.00 61.00 62.71 1xpw s PRO 26 Cb 0.10 -3.35 0.73 0.00 0.05 0.00 0.00 34.50 32.03 1xpw s PRO 26 CO -0.13 0.32 1.50 -2.30 0.05 0.00 0.00 177.00 176.45 1xpw n PRO 27 N 2.59 0.09 0.27 0.56 -0.02 -1.26 -2.11 135.00 135.12 1xpw n PRO 27 Ca -0.02 0.41 0.12 0.00 -2.02 0.00 0.00 63.50 61.99 1xpw n PRO 27 Cb 0.50 -1.70 0.77 0.00 -0.02 0.00 0.00 33.50 33.04 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 0.00 0.00 -0.52 4.39 -1.96 -1.48 114.58 115.01 1xpw h GLU 28 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1xpw h GLU 28 Cb 0.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1xpw h GLU 28 CO 0.00 0.05 -0.14 -0.97 -1.16 0.00 0.00 179.01 176.79 1xpw h ASN 29 N 0.00 0.00 -0.72 1.42 -0.73 -1.84 -2.79 115.58 110.92 1xpw h ASN 29 Ca -0.00 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1xpw h ASN 29 Cb 0.11 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.67 1xpw h ASN 29 CO 0.01 0.14 0.41 0.40 -0.37 0.00 0.00 177.43 178.02 1xpw h ILE 30 N 0.00 1.21 -0.02 2.57 2.04 -1.48 -0.26 117.51 121.57 1xpw h ILE 30 Ca -0.00 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1xpw h ILE 30 Cb 0.35 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1xpw h ILE 30 CO 0.02 0.23 -0.08 2.30 0.00 0.00 0.00 178.15 180.62 1xpw n ILE 31 N -4.50 0.00 -0.08 -0.67 -5.35 -1.13 -4.16 119.36 103.47 1xpw n ILE 31 Ca 0.06 -0.25 -0.20 0.00 -0.27 0.00 0.00 62.75 62.09 1xpw n ILE 31 Cb 0.07 0.63 -0.12 0.00 -1.74 0.00 0.00 39.64 38.48 1xpw n ILE 31 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1xpw h ASP 32 N 2.39 0.08 0.00 7.28 3.58 -0.91 0.51 116.42 129.35 1xpw h ASP 32 Ca 0.00 -0.67 0.00 0.00 0.42 0.00 0.00 57.03 56.78 1xpw h ASP 32 Cb 0.57 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1xpw h ASP 32 CO 0.00 1.44 0.00 0.61 -2.88 0.00 0.00 179.24 178.41 1xpw n GLY 33 N 1.54 0.76 3.61 -0.78 0.00 -0.25 -4.86 105.19 105.20 1xpw n GLY 33 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1xpw n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xpw s ASN 34 N -2.35 6.56 0.00 1.61 0.01 -1.26 -4.92 114.94 114.59 1xpw s ASN 34 Ca 0.00 0.56 0.11 0.00 -0.71 0.00 0.00 52.86 52.83 1xpw s ASN 34 Cb 0.00 -2.35 0.68 0.00 0.41 0.00 0.00 41.25 40.00 1xpw s ASN 34 CO 0.00 -0.48 1.12 -0.81 -1.51 0.00 0.00 177.10 175.43 1xpw n PRO 35 N 5.90 0.51 0.26 -0.60 -0.04 -1.26 -2.83 135.00 136.94 1xpw n PRO 35 Ca 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.60 1xpw n PRO 35 Cb 0.49 -1.35 0.70 0.00 -0.04 0.00 0.00 33.50 33.30 1xpw n PRO 35 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xpw h GLU 36 N 0.00 0.00 -4.97 0.54 4.39 -1.97 -3.44 114.58 109.13 1xpw h GLU 36 Ca 0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 1xpw h GLU 36 Cb 0.00 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.51 1xpw h GLU 36 CO 0.00 0.12 -0.65 0.99 -1.16 0.00 0.00 179.01 178.31 1xpw s THR 37 N -4.01 0.84 -0.01 1.13 2.01 -1.13 -5.17 115.64 109.31 1xpw s THR 37 Ca -0.02 -2.01 -0.20 0.00 0.31 0.00 0.00 61.69 59.78 1xpw s THR 37 Cb 0.12 -2.38 0.04 0.00 0.01 0.00 0.00 72.50 70.28 1xpw s THR 37 CO 0.58 -0.27 0.43 0.72 -0.69 0.00 0.00 174.62 175.39 1xpw s PHE 38 N -3.55 -0.32 -0.12 4.92 -0.71 -1.26 -4.93 117.98 112.01 1xpw s PHE 38 Ca 0.30 0.47 -0.23 0.00 -1.04 0.00 0.00 56.93 56.43 1xpw s PHE 38 Cb 0.06 0.21 -0.03 0.00 -1.21 0.00 0.00 43.02 42.05 1xpw s PHE 38 CO 0.09 -0.49 0.69 -0.46 -1.34 0.00 0.00 175.22 173.71 1xpw s TRP 39 N -1.58 3.49 -0.05 3.49 -0.00 -1.14 -4.63 118.94 118.52 1xpw s TRP 39 Ca -0.11 1.14 0.03 0.00 -0.00 0.00 0.00 56.10 57.16 1xpw s TRP 39 Cb -0.03 -2.82 -0.03 0.00 -0.00 0.00 0.00 33.47 30.59 1xpw s TRP 39 CO 0.04 -0.03 -0.12 0.95 -0.00 0.00 0.00 176.95 177.79 1xpw s THR 40 N 1.30 3.27 -0.30 5.86 -4.23 -1.26 -2.48 115.64 117.79 1xpw s THR 40 Ca 0.35 -0.67 -0.29 0.00 -1.18 0.00 0.00 61.69 59.90 1xpw s THR 40 Cb -0.17 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.37 1xpw s THR 40 CO 0.15 0.58 1.17 0.42 -0.54 0.00 0.00 174.62 176.39 1xpw s THR 41 N -0.77 4.37 -0.11 3.99 -4.23 -0.77 -4.86 115.64 113.25 1xpw s THR 41 Ca 0.12 1.58 -0.03 0.00 -1.18 0.00 0.00 61.69 62.17 1xpw s THR 41 Cb -0.11 -4.29 -0.08 0.00 1.34 0.00 0.00 72.50 69.37 1xpw s THR 41 CO 0.01 -0.44 2.81 0.41 -0.54 0.00 0.00 174.62 176.87 1xpw n THR 42 N 5.93 2.73 -2.30 3.99 -1.04 -1.26 -4.51 114.28 117.81 1xpw n THR 42 Ca 0.13 -1.46 -0.04 0.00 -2.04 0.00 0.00 64.05 60.64 1xpw n THR 42 Cb 0.47 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 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 1.68 0.40 3.08 3.41 0.00 -1.26 -5.02 105.19 107.49 1xpw n GLY 43 Ca 0.30 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 1xpw n GLY 43 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xpw s MET 44 N -4.58 2.42 -0.11 1.61 0.00 -1.26 -5.07 119.30 112.30 1xpw s MET 44 Ca 0.04 -2.43 -0.03 0.00 0.00 0.00 0.00 55.69 53.27 1xpw s MET 44 Cb -0.02 -3.67 -0.03 0.00 0.00 0.00 0.00 34.83 31.11 1xpw s MET 44 CO 0.05 -1.15 0.00 -0.06 0.00 0.00 0.00 175.02 173.86 1xpw s PHE 45 N 0.11 3.14 0.79 4.11 0.40 -1.26 -3.76 117.98 121.51 1xpw s PHE 45 Ca 0.16 0.07 -0.09 0.00 -0.60 0.00 0.00 56.93 56.47 1xpw s PHE 45 Cb -0.21 -1.86 0.11 0.00 0.51 0.00 0.00 43.02 41.57 1xpw s PHE 45 CO -0.03 0.32 1.11 -1.25 0.70 0.00 0.00 175.22 176.06 1xpw s PRO 46 N -0.44 1.67 0.09 0.24 0.04 -1.26 -5.17 135.00 130.17 1xpw s PRO 46 Ca 0.08 -0.42 0.04 0.00 0.04 0.00 0.00 61.00 60.75 1xpw s PRO 46 Cb -0.12 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1xpw s PRO 46 CO 0.02 -1.62 0.03 -0.65 0.04 0.00 0.00 177.00 174.82 1xpw s GLN 47 N -5.43 2.68 -0.30 4.56 1.11 0.02 -4.99 119.66 117.31 1xpw s GLN 47 Ca 0.65 -0.79 -0.12 0.00 0.01 0.00 0.00 55.36 55.11 1xpw s GLN 47 Cb -0.08 -2.61 0.15 0.00 -1.01 0.00 0.00 33.01 29.46 1xpw s GLN 47 CO 0.47 0.55 0.80 -1.83 0.01 0.00 0.00 175.29 175.28 1xpw s GLU 48 N -2.39 0.45 0.03 2.91 -1.05 -1.25 -0.41 118.70 116.99 1xpw s GLU 48 Ca 0.27 1.13 0.03 0.00 -0.15 0.00 0.00 54.97 56.25 1xpw s GLU 48 Cb -0.12 0.68 -0.02 0.00 -0.44 0.00 0.00 34.13 34.24 1xpw s GLU 48 CO 0.20 -0.17 -0.08 -0.59 0.95 0.00 0.00 175.26 175.57 1xpw s PHE 49 N 2.71 0.71 -0.14 4.83 -0.71 -0.57 -3.28 117.98 121.53 1xpw s PHE 49 Ca -0.04 -0.33 -0.00 0.00 -1.04 0.00 0.00 56.93 55.52 1xpw s PHE 49 Cb -0.10 -0.43 -0.01 0.00 -1.21 0.00 0.00 43.02 41.27 1xpw s PHE 49 CO -0.18 -0.03 -0.13 0.42 -1.34 0.00 0.00 175.22 173.95 1xpw s ILE 50 N -0.84 2.97 -0.29 -4.49 1.01 -0.75 -0.54 121.20 118.25 1xpw s ILE 50 Ca -0.04 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 1xpw s ILE 50 Cb -0.07 -2.25 0.02 0.00 0.01 0.00 0.00 42.46 40.17 1xpw s ILE 50 CO 0.00 0.52 0.05 -0.63 0.00 0.00 0.00 174.94 174.88 1xpw s ILE 51 N 0.49 3.63 -0.12 2.92 1.01 0.48 -0.39 121.20 129.22 1xpw s ILE 51 Ca -0.09 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 1xpw s ILE 51 Cb -0.16 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1xpw s ILE 51 CO 0.04 0.04 0.18 0.00 0.00 0.00 0.00 174.94 175.21 1xpw n PHE 53 N 2.31 0.66 0.00 0.00 3.72 0.49 -0.39 117.46 124.25 1xpw n PHE 53 Ca -0.18 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1xpw n PHE 53 Cb 0.54 -0.76 0.00 0.00 -0.94 0.00 0.00 39.48 38.32 1xpw n PHE 53 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1xpw n HIS 54 N -2.09 0.00 -4.17 1.38 8.25 -1.26 -3.95 115.22 113.38 1xpw n HIS 54 Ca 0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.40 1xpw n HIS 54 Cb 0.42 -0.30 -0.10 0.00 1.12 0.00 0.00 29.99 31.13 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 0.00 0.89 -0.57 -0.41 -2.85 -1.26 -4.93 119.74 110.60 1xpw s LYS 55 Ca 0.00 -1.39 -0.26 0.00 -1.00 0.00 0.00 55.97 53.32 1xpw s LYS 55 Cb 0.00 -0.10 0.04 0.00 -2.06 0.00 0.00 37.83 35.71 1xpw s LYS 55 CO 0.00 -0.10 1.09 -1.58 0.10 0.00 0.00 175.35 174.86 1xpw s HIS 56 N -3.74 2.67 0.40 1.78 5.65 -1.06 -4.65 115.29 116.35 1xpw s HIS 56 Ca 0.16 0.21 0.08 0.00 0.25 0.00 0.00 55.06 55.76 1xpw s HIS 56 Cb 0.06 -4.33 -0.06 0.00 -1.18 0.00 0.00 32.58 27.07 1xpw s HIS 56 CO -0.02 -1.51 0.12 0.14 -0.65 0.00 0.00 174.74 172.82 1xpw s VAL 57 N 4.55 2.31 -0.18 0.89 -7.23 -1.23 -0.28 120.40 119.23 1xpw s VAL 57 Ca 0.37 -1.80 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 1xpw s VAL 57 Cb -0.10 -2.97 0.02 0.00 0.56 0.00 0.00 36.38 33.89 1xpw s VAL 57 CO 0.22 -0.03 -0.19 -0.60 -0.31 0.00 0.00 175.10 174.19 1xpw s ARG 58 N -3.84 3.02 -0.01 4.82 3.52 -0.05 -2.83 118.95 123.59 1xpw s ARG 58 Ca 0.39 -0.82 -0.20 0.00 -0.13 0.00 0.00 55.73 54.97 1xpw s ARG 58 Cb 0.04 -2.58 -0.05 0.00 -1.56 0.00 0.00 34.95 30.80 1xpw s ARG 58 CO 0.21 -0.18 0.56 0.42 -0.81 0.00 0.00 175.30 175.50 1xpw s ILE 59 N 1.24 4.94 -0.21 4.11 1.01 0.16 -0.51 121.20 131.92 1xpw s ILE 59 Ca 0.03 1.17 0.08 0.00 0.00 0.00 0.00 60.65 61.94 1xpw s ILE 59 Cb -0.13 -3.89 -0.19 0.00 0.01 0.00 0.00 42.46 38.25 1xpw s ILE 59 CO -0.11 0.43 -0.09 -0.62 0.00 0.00 0.00 174.94 174.55 1xpw n GLU 60 N 2.66 0.75 -3.44 2.79 -0.58 -0.21 -0.50 120.64 122.10 1xpw n GLU 60 Ca -0.08 0.07 -0.11 0.00 -0.42 0.00 0.00 57.16 56.62 1xpw n GLU 60 Cb 0.51 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.88 1xpw n GLU 60 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1xpw s ARG 61 N -2.47 1.17 -0.12 3.49 1.70 -0.67 -2.98 118.95 119.08 1xpw s ARG 61 Ca -0.22 -0.43 -0.01 0.00 -0.47 0.00 0.00 55.73 54.60 1xpw s ARG 61 Cb 0.07 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.96 1xpw s ARG 61 CO 0.64 -0.51 -0.06 -0.51 -1.08 0.00 0.00 175.30 173.78 1xpw s LEU 62 N -2.68 3.16 -0.36 -1.89 1.02 0.47 -0.98 118.68 117.43 1xpw s LEU 62 Ca 0.02 -0.10 -0.05 0.00 0.02 0.00 0.00 54.13 54.02 1xpw s LEU 62 Cb -0.01 -1.73 0.06 0.00 0.02 0.00 0.00 46.19 44.54 1xpw s LEU 62 CO -0.12 0.25 0.12 -0.69 0.02 0.00 0.00 176.35 175.93 1xpw s VAL 63 N -0.13 3.50 -0.01 -1.59 1.01 0.51 -0.40 120.40 123.29 1xpw s VAL 63 Ca 0.02 -1.46 0.06 0.00 0.00 0.00 0.00 61.98 60.59 1xpw s VAL 63 Cb -0.13 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1xpw s VAL 63 CO 0.03 -0.33 -0.17 -0.63 0.00 0.00 0.00 175.10 174.00 1xpw s ILE 64 N 1.30 2.80 -0.30 2.22 1.01 -0.77 -0.92 121.20 126.54 1xpw s ILE 64 Ca 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.69 1xpw s ILE 64 Cb -0.21 -2.12 0.09 0.00 0.01 0.00 0.00 42.46 40.24 1xpw s ILE 64 CO -0.00 0.48 0.05 -1.10 0.00 0.00 0.00 174.94 174.37 1xpw s GLN 65 N -1.01 1.14 0.08 2.79 -0.21 0.49 -0.35 119.66 122.57 1xpw s GLN 65 Ca 0.13 -1.32 0.02 0.00 0.02 0.00 0.00 55.36 54.21 1xpw s GLN 65 Cb -0.10 -2.52 -0.03 0.00 1.00 0.00 0.00 33.01 31.35 1xpw s GLN 65 CO 0.02 -0.89 -0.08 -1.12 -2.12 0.00 0.00 175.29 171.10 1xpw s SER 66 N 1.34 1.11 -0.01 5.90 0.01 -1.26 -1.37 113.70 119.43 1xpw s SER 66 Ca 0.07 -0.77 0.04 0.00 1.31 0.00 0.00 55.95 56.60 1xpw s SER 66 Cb -0.18 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.09 1xpw s SER 66 CO -0.15 -0.31 -0.14 -0.72 0.41 0.00 0.00 173.24 172.33 1xpw s TYR 67 N -2.42 1.25 -1.02 2.43 -0.85 -1.22 -4.60 117.35 110.93 1xpw s TYR 67 Ca 0.01 -0.24 -0.00 0.00 -0.52 0.00 0.00 57.07 56.32 1xpw s TYR 67 Cb -0.03 -0.80 0.00 0.00 0.38 0.00 0.00 41.96 41.51 1xpw s TYR 67 CO -0.02 -0.02 0.02 1.19 -1.52 0.00 0.00 175.55 175.21 1xpw n PHE 68 N 2.67 -0.60 -3.84 -3.49 3.72 -1.26 -4.00 117.46 110.66 1xpw n PHE 68 Ca -0.14 0.02 -0.36 0.00 -0.05 0.00 0.00 57.45 56.91 1xpw n PHE 68 Cb 0.55 -2.72 -0.07 0.00 -0.94 0.00 0.00 39.48 36.30 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 -2.61 5.39 0.00 -4.37 1.01 -1.26 0.07 120.40 118.62 1xpw s VAL 69 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1xpw s VAL 69 Cb -0.00 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1xpw s VAL 69 CO 0.01 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.65 1xpw n GLN 70 N 2.72 0.00 -3.44 2.72 6.02 -0.43 -3.67 117.38 121.31 1xpw n GLN 70 Ca -0.18 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.40 1xpw n GLN 70 Cb 0.54 -0.05 -0.10 0.00 1.02 0.00 0.00 30.24 31.65 1xpw n GLN 70 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1xpw s THR 71 N 0.00 5.20 -0.28 5.09 2.01 -1.11 -1.02 115.64 125.53 1xpw s THR 71 Ca 0.00 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1xpw s THR 71 Cb 0.00 -3.78 0.06 0.00 0.01 0.00 0.00 72.50 68.79 1xpw s THR 71 CO 0.00 -0.06 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.58 1xpw s LEU 72 N 1.95 3.65 -0.12 4.42 2.96 0.38 -0.97 118.68 130.94 1xpw s LEU 72 Ca 0.10 -1.42 -0.18 0.00 -0.22 0.00 0.00 54.13 52.41 1xpw s LEU 72 Cb -0.17 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1xpw s LEU 72 CO 0.11 -0.22 0.47 -0.75 -1.32 0.00 0.00 176.35 174.64 1xpw s LYS 73 N 1.12 4.33 -0.31 1.98 2.20 0.46 -0.46 119.74 129.07 1xpw s LYS 73 Ca -0.07 0.43 -0.02 0.00 -0.36 0.00 0.00 55.97 55.96 1xpw s LYS 73 Cb -0.20 -3.44 0.06 0.00 -1.51 0.00 0.00 37.83 32.74 1xpw s LYS 73 CO -0.04 0.14 0.02 0.42 -0.36 0.00 0.00 175.35 175.53 1xpw s ILE 74 N 0.68 2.97 -0.01 5.43 1.01 0.24 -0.37 121.20 131.14 1xpw s ILE 74 Ca 0.25 -1.49 -0.11 0.00 0.00 0.00 0.00 60.65 59.31 1xpw s ILE 74 Cb -0.15 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 1xpw s ILE 74 CO 0.10 -0.17 0.32 -1.61 0.00 0.00 0.00 174.94 173.57 1xpw s GLU 75 N 1.23 3.71 -0.20 2.79 8.01 0.10 -2.67 118.70 131.67 1xpw s GLU 75 Ca -0.04 0.15 -0.00 0.00 0.01 0.00 0.00 54.97 55.10 1xpw s GLU 75 Cb -0.20 -3.15 0.02 0.00 -4.31 0.00 0.00 34.13 26.49 1xpw s GLU 75 CO -0.02 0.68 -0.15 -1.59 0.01 0.00 0.00 175.26 174.19 1xpw s LYS 76 N -1.35 3.01 -0.18 1.61 -2.85 -0.09 -0.44 119.74 119.45 1xpw s LYS 76 Ca 0.24 -0.83 -0.08 0.00 -1.00 0.00 0.00 55.97 54.29 1xpw s LYS 76 Cb -0.14 -2.71 -0.04 0.00 -2.06 0.00 0.00 37.83 32.88 1xpw s LYS 76 CO 0.13 -0.24 0.10 -1.12 0.10 0.00 0.00 175.35 174.31 1xpw s SER 77 N 1.32 5.96 -0.02 0.03 0.01 0.44 -0.41 113.70 121.03 1xpw s SER 77 Ca 0.04 0.20 0.15 0.00 1.31 0.00 0.00 55.95 57.64 1xpw s SER 77 Cb -0.14 -2.01 0.43 0.00 0.21 0.00 0.00 66.02 64.51 1xpw s SER 77 CO -0.10 0.21 1.36 0.35 0.41 0.00 0.00 173.24 175.48 1xpw n THR 78 N 3.28 1.12 -3.01 1.44 -2.24 -1.26 0.00 114.28 113.61 1xpw n THR 78 Ca -0.17 -1.06 -0.24 0.00 -2.27 0.00 0.00 64.05 60.32 1xpw n THR 78 Cb 0.53 0.44 0.01 0.00 -2.10 0.00 0.00 70.33 69.20 1xpw n THR 78 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xpw s SER 79 N -1.04 5.97 0.33 3.42 1.04 -1.26 -4.77 113.70 117.38 1xpw s SER 79 Ca 0.33 0.41 0.11 0.00 0.48 0.00 0.00 55.95 57.28 1xpw s SER 79 Cb 0.18 -1.73 0.56 0.00 0.10 0.00 0.00 66.02 65.14 1xpw s SER 79 CO 0.21 -0.62 1.74 0.11 0.98 0.00 0.00 173.24 175.66 1xpw h LYS 80 N 0.43 0.03 -6.43 4.02 1.57 -1.97 -3.44 116.57 110.78 1xpw h LYS 80 Ca -0.47 -0.01 -0.52 0.00 -1.87 0.00 0.00 60.65 57.77 1xpw h LYS 80 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1xpw h LYS 80 CO 0.59 0.48 -0.18 -1.21 -0.57 0.00 0.00 179.45 178.57 1xpw s GLU 81 N -3.99 3.62 0.00 3.15 2.02 -1.26 -4.97 118.70 117.27 1xpw s GLU 81 Ca -0.02 -0.04 -0.03 0.00 0.02 0.00 0.00 54.97 54.89 1xpw s GLU 81 Cb 0.14 -2.69 -0.14 0.00 0.10 0.00 0.00 34.13 31.55 1xpw s GLU 81 CO 0.74 0.26 2.62 -0.35 0.02 0.00 0.00 175.26 178.56 1xpw n PRO 82 N -0.82 1.39 -0.51 0.39 -0.04 -1.26 -4.79 135.00 129.35 1xpw n PRO 82 Ca -0.02 -0.50 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 1xpw n PRO 82 Cb 0.54 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1xpw n PRO 82 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1xpw n VAL 83 N 2.13 0.00 0.00 0.52 0.24 -1.26 -4.93 118.33 115.03 1xpw n VAL 83 Ca 0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.52 1xpw n VAL 83 Cb 0.65 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1xpw n VAL 83 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1xpw n ASP 84 N -0.31 0.00 -2.72 -1.34 2.03 -1.26 -4.78 116.55 108.17 1xpw n ASP 84 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 1xpw n ASP 84 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1xpw n ASP 84 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1xpw n PHE 85 N 0.00 -3.99 -2.80 -0.67 3.72 -1.26 -4.94 117.46 107.52 1xpw n PHE 85 Ca 0.00 1.80 -0.42 0.00 -0.05 0.00 0.00 57.45 58.78 1xpw n PHE 85 Cb 0.00 -3.97 -0.03 0.00 -0.94 0.00 0.00 39.48 34.53 1xpw n PHE 85 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1xpw s GLU 86 N -1.57 4.38 -0.32 -1.08 2.02 0.45 -4.83 118.70 117.74 1xpw s GLU 86 Ca -0.02 1.21 -0.28 0.00 0.02 0.00 0.00 54.97 55.90 1xpw s GLU 86 Cb 0.00 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 1xpw s GLU 86 CO 0.77 -0.28 2.09 -0.65 0.02 0.00 0.00 175.26 177.22 1xpw s GLN 87 N 1.93 2.99 0.00 1.61 1.11 -1.26 -0.91 119.66 125.14 1xpw s GLN 87 Ca 0.44 1.65 0.00 0.00 0.01 0.00 0.00 55.36 57.45 1xpw s GLN 87 Cb -0.18 -4.35 0.00 0.00 -1.01 0.00 0.00 33.01 27.47 1xpw s GLN 87 CO 0.16 -2.26 0.00 1.87 0.01 0.00 0.00 175.29 175.07 1xpw n TRP 88 N 12.00 0.00 -3.91 0.91 -0.00 -1.11 -4.95 117.44 120.38 1xpw n TRP 88 Ca 0.28 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.67 1xpw n TRP 88 Cb 0.48 0.00 -0.13 0.00 -0.00 0.00 0.00 31.31 31.66 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 -0.09 0.04 -0.15 5.87 -4.36 -1.09 -5.04 121.20 116.38 1xpw s ILE 89 Ca 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 60.65 60.06 1xpw s ILE 89 Cb 0.00 -0.11 0.02 0.00 1.25 0.00 0.00 42.46 43.62 1xpw s ILE 89 CO 0.00 -0.18 -0.13 -1.61 0.24 0.00 0.00 174.94 173.25 1xpw s GLU 90 N -0.53 2.23 -0.04 0.37 2.02 -1.26 -0.60 118.70 120.89 1xpw s GLU 90 Ca -0.06 -0.56 0.05 0.00 0.02 0.00 0.00 54.97 54.42 1xpw s GLU 90 Cb -0.04 -2.10 -0.02 0.00 0.10 0.00 0.00 34.13 32.07 1xpw s GLU 90 CO -0.00 -0.25 -0.17 0.15 0.02 0.00 0.00 175.26 175.01 1xpw s LYS 91 N 1.50 2.41 -0.23 1.61 -0.14 0.39 -4.97 119.74 120.31 1xpw s LYS 91 Ca 0.05 -0.75 -0.05 0.00 -1.36 0.00 0.00 55.97 53.86 1xpw s LYS 91 Cb -0.13 -2.30 -0.01 0.00 -1.68 0.00 0.00 37.83 33.71 1xpw s LYS 91 CO -0.10 0.61 -0.02 0.16 -0.76 0.00 0.00 175.35 175.24 1xpw s ASP 92 N -0.73 4.50 0.71 2.83 -4.77 -1.26 -0.47 116.67 117.48 1xpw s ASP 92 Ca 0.11 -0.36 -0.05 0.00 -3.30 0.00 0.00 52.55 48.95 1xpw s ASP 92 Cb -0.10 -1.78 0.08 0.00 -1.09 0.00 0.00 42.92 40.02 1xpw s ASP 92 CO 0.00 -0.03 1.01 -0.76 0.70 0.00 0.00 175.17 176.09 1xpw s LEU 93 N 1.51 2.90 0.16 2.11 1.02 -0.19 -5.02 118.68 121.17 1xpw s LEU 93 Ca 0.06 0.25 0.06 0.00 0.02 0.00 0.00 54.13 54.52 1xpw s LEU 93 Cb -0.14 -2.84 -0.04 0.00 0.02 0.00 0.00 46.19 43.19 1xpw s LEU 93 CO -0.02 -1.68 0.06 -0.69 0.02 0.00 0.00 176.35 174.05 1xpw s VAL 94 N -3.22 4.12 -0.51 -1.59 1.01 -1.26 -4.69 120.40 114.26 1xpw s VAL 94 Ca 0.62 -1.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 1xpw s VAL 94 Cb -0.09 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1xpw s VAL 94 CO 0.44 -0.08 2.20 -2.28 0.00 0.00 0.00 175.10 175.39 1xpw s HIS 95 N -1.68 1.29 -0.30 5.22 2.46 -1.26 -4.49 115.29 116.53 1xpw s HIS 95 Ca 0.29 1.23 -0.20 0.00 0.47 0.00 0.00 55.06 56.85 1xpw s HIS 95 Cb -0.10 -3.78 -0.01 0.00 -0.13 0.00 0.00 32.58 28.56 1xpw s HIS 95 CO 0.21 -2.56 0.62 0.95 -2.47 0.00 0.00 174.74 171.49 1xpw s THR 96 N 10.82 4.95 -0.51 0.89 -4.23 -1.26 -5.00 115.64 121.29 1xpw s THR 96 Ca 0.87 0.88 -0.14 0.00 -1.18 0.00 0.00 61.69 62.13 1xpw s THR 96 Cb -0.17 -3.99 0.12 0.00 1.34 0.00 0.00 72.50 69.81 1xpw s THR 96 CO 0.25 -0.11 0.44 -0.70 -0.54 0.00 0.00 174.62 173.95 1xpw s GLU 97 N 2.58 2.84 -1.45 3.99 2.56 -1.26 -4.46 118.70 123.50 1xpw s GLU 97 Ca 0.25 -1.67 -0.10 0.00 0.00 0.00 0.00 54.97 53.45 1xpw s GLU 97 Cb -0.15 -4.16 0.04 0.00 2.00 0.00 0.00 34.13 31.86 1xpw s GLU 97 CO 0.11 -1.24 0.97 0.41 -0.56 0.00 0.00 175.26 174.95 1xpw n GLY 98 N 5.14 -0.52 2.95 -1.50 0.00 -1.26 -4.98 105.19 105.01 1xpw n GLY 98 Ca -0.12 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 1xpw n GLY 98 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xpw s GLN 99 N -6.30 0.32 -0.67 1.61 0.74 -1.26 -5.09 119.66 109.01 1xpw s GLN 99 Ca 0.55 -0.20 -0.18 0.00 0.05 0.00 0.00 55.36 55.58 1xpw s GLN 99 Cb -0.26 -0.28 0.13 0.00 1.10 0.00 0.00 33.01 33.70 1xpw s GLN 99 CO 0.68 0.07 0.76 -0.51 -0.55 0.00 0.00 175.29 175.75 1xpw s LEU 100 N -0.26 5.61 0.26 3.68 1.43 -1.26 -4.85 118.68 123.28 1xpw s LEU 100 Ca -0.00 -1.73 -0.14 0.00 -1.03 0.00 0.00 54.13 51.23 1xpw s LEU 100 Cb -0.02 -2.30 -0.08 0.00 0.03 0.00 0.00 46.19 43.82 1xpw s LEU 100 CO -0.00 -1.01 0.65 -1.58 0.23 0.00 0.00 176.35 174.64 1xpw s GLN 101 N 2.24 3.96 -0.26 1.70 0.74 -1.26 -5.06 119.66 121.71 1xpw s GLN 101 Ca 0.15 0.54 -0.06 0.00 0.05 0.00 0.00 55.36 56.04 1xpw s GLN 101 Cb -0.20 -2.61 -0.00 0.00 1.10 0.00 0.00 33.01 31.30 1xpw s GLN 101 CO 0.02 0.27 0.03 -0.80 -0.55 0.00 0.00 175.29 174.26 1xpw s ASN 102 N -2.17 4.82 -0.81 6.67 0.02 -1.26 -4.19 114.94 118.02 1xpw s ASN 102 Ca 0.49 -0.53 -0.19 0.00 -1.02 0.00 0.00 52.86 51.61 1xpw s ASN 102 Cb -0.12 -1.83 0.13 0.00 0.02 0.00 0.00 41.25 39.45 1xpw s ASN 102 CO 0.19 -0.11 0.96 -1.61 0.02 0.00 0.00 177.10 176.56 1xpw s GLU 103 N 1.50 3.42 -1.09 -0.60 8.01 0.52 -4.94 118.70 125.52 1xpw s GLU 103 Ca 0.04 -1.66 -0.17 0.00 0.01 0.00 0.00 54.97 53.19 1xpw s GLU 103 Cb -0.16 -4.62 0.13 0.00 -4.31 0.00 0.00 34.13 25.18 1xpw s GLU 103 CO 0.00 -1.66 1.35 -1.21 0.01 0.00 0.00 175.26 173.76 1xpw s GLU 104 N 2.46 3.85 -0.52 1.61 2.02 -1.26 -1.85 118.70 125.01 1xpw s GLU 104 Ca 0.25 -2.07 -0.24 0.00 0.02 0.00 0.00 54.97 52.92 1xpw s GLU 104 Cb -0.11 -5.08 0.04 0.00 0.10 0.00 0.00 34.13 29.07 1xpw s GLU 104 CO -0.04 -1.86 0.92 0.42 0.02 0.00 0.00 175.26 174.72 1xpw s ILE 105 N 2.59 4.44 -0.83 -1.63 1.01 0.46 -4.92 121.20 122.32 1xpw s ILE 105 Ca 0.40 0.40 -0.25 0.00 0.00 0.00 0.00 60.65 61.20 1xpw s ILE 105 Cb -0.03 -4.49 0.02 0.00 0.01 0.00 0.00 42.46 37.97 1xpw s ILE 105 CO -0.04 -1.00 1.53 -0.69 0.00 0.00 0.00 174.94 174.73 1xpw s VAL 106 N 3.82 3.69 -0.26 2.92 1.01 -1.26 -0.39 120.40 129.92 1xpw s VAL 106 Ca 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 1xpw s VAL 106 Cb -0.12 -4.67 0.12 0.00 0.00 0.00 0.00 36.38 31.71 1xpw s VAL 106 CO 0.21 -1.60 0.26 0.00 0.00 0.00 0.00 175.10 173.97 1xpw s ALA 107 N 6.66 -0.31 -0.29 5.51 0.00 -1.16 -5.00 121.76 127.18 1xpw s ALA 107 Ca 0.49 -0.20 -0.09 0.00 0.00 0.00 0.00 51.96 52.16 1xpw s ALA 107 Cb -0.06 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 1xpw s ALA 107 CO 0.06 -1.55 0.12 -3.38 0.00 0.00 0.00 175.76 171.01 1xpw s HIS 108 N 2.33 3.15 0.02 0.00 -3.43 -1.19 -3.65 115.29 112.52 1xpw s HIS 108 Ca 0.09 -0.53 -0.28 0.00 -0.80 0.00 0.00 55.06 53.53 1xpw s HIS 108 Cb -0.15 -2.31 0.10 0.00 -1.43 0.00 0.00 32.58 28.79 1xpw s HIS 108 CO -0.27 -0.43 0.90 0.20 -2.00 0.00 0.00 174.74 173.15 1xpw s GLY 109 N 1.61 -0.43 0.06 -1.38 0.00 0.34 -4.96 107.32 102.57 1xpw s GLY 109 Ca 0.05 0.85 -0.15 0.00 0.00 0.00 0.00 44.72 45.46 1xpw s GLY 109 CO 0.05 0.27 0.49 -0.56 0.00 0.00 0.00 173.10 173.35 1xpw s SER 110 N -2.57 6.87 0.13 1.64 0.01 -1.26 -0.67 113.70 117.85 1xpw s SER 110 Ca 0.06 1.06 -0.22 0.00 1.31 0.00 0.00 55.95 58.17 1xpw s SER 110 Cb -0.01 -2.28 0.06 0.00 0.21 0.00 0.00 66.02 64.00 1xpw s SER 110 CO -0.07 0.24 0.55 0.00 0.41 0.00 0.00 173.24 174.37 1xpw s ALA 111 N -1.21 -1.41 -0.03 1.44 0.00 -1.13 -4.82 121.76 114.60 1xpw s ALA 111 Ca 0.29 0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.69 1xpw s ALA 111 Cb -0.17 0.76 -0.06 0.00 0.00 0.00 0.00 23.12 23.65 1xpw s ALA 111 CO 0.17 -0.70 0.05 0.25 0.00 0.00 0.00 175.76 175.53 1xpw n THR 112 N -0.21 0.20 -4.50 0.00 -2.24 0.10 -3.58 114.28 104.05 1xpw n THR 112 Ca -0.17 -0.16 -0.22 0.00 -2.27 0.00 0.00 64.05 61.23 1xpw n THR 112 Cb 0.64 -0.45 -0.16 0.00 -2.10 0.00 0.00 70.33 68.26 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 -2.18 1.20 -0.20 4.78 1.51 -0.32 -0.38 117.35 121.76 1xpw s TYR 113 Ca -0.02 -0.36 -0.02 0.00 -1.01 0.00 0.00 57.07 55.66 1xpw s TYR 113 Cb 0.02 -0.87 0.00 0.00 -0.11 0.00 0.00 41.96 41.00 1xpw s TYR 113 CO 0.19 -0.17 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.84 1xpw s LEU 114 N 0.39 2.62 -0.35 -1.29 1.43 0.04 -0.42 118.68 121.10 1xpw s LEU 114 Ca -0.08 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.46 1xpw s LEU 114 Cb -0.12 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.49 1xpw s LEU 114 CO 0.02 0.00 0.16 -0.60 0.23 0.00 0.00 176.35 176.16 1xpw s ARG 115 N 1.32 2.80 -0.47 1.70 3.52 0.41 -0.39 118.95 127.85 1xpw s ARG 115 Ca 0.04 -1.08 -0.17 0.00 -0.13 0.00 0.00 55.73 54.39 1xpw s ARG 115 Cb -0.14 -3.60 0.05 0.00 -1.56 0.00 0.00 34.95 29.70 1xpw s ARG 115 CO -0.06 -0.65 0.46 -0.06 -0.81 0.00 0.00 175.30 174.19 1xpw s PHE 116 N 1.50 3.17 -0.44 5.12 0.08 0.29 -0.72 117.98 126.98 1xpw s PHE 116 Ca 0.01 -0.68 -0.14 0.00 0.12 0.00 0.00 56.93 56.24 1xpw s PHE 116 Cb -0.19 -3.18 0.06 0.00 -0.57 0.00 0.00 43.02 39.14 1xpw s PHE 116 CO 0.05 -0.83 0.33 0.42 -0.10 0.00 0.00 175.22 175.09 1xpw s ILE 117 N 2.04 5.03 -0.62 0.64 1.01 0.51 -1.51 121.20 128.29 1xpw s ILE 117 Ca 0.09 -0.99 -0.22 0.00 0.00 0.00 0.00 60.65 59.53 1xpw s ILE 117 Cb -0.21 -3.94 0.07 0.00 0.01 0.00 0.00 42.46 38.39 1xpw s ILE 117 CO 0.10 -0.46 0.90 -0.63 0.00 0.00 0.00 174.94 174.85 1xpw s ILE 118 N 1.61 4.44 0.14 2.92 1.01 0.45 -0.40 121.20 131.36 1xpw s ILE 118 Ca 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 1xpw s ILE 118 Cb -0.22 -4.61 -0.18 0.00 0.01 0.00 0.00 42.46 37.45 1xpw s ILE 118 CO 0.07 -1.32 1.31 0.58 0.00 0.00 0.00 174.94 175.58 1xpw h VAL 119 N 5.97 1.46 -3.26 2.92 2.07 -1.28 0.10 116.25 124.23 1xpw h VAL 119 Ca -0.28 -2.63 -0.07 0.00 0.82 0.00 0.00 66.70 64.53 1xpw h VAL 119 Cb 1.07 2.52 -0.15 0.00 -1.52 0.00 0.00 31.29 33.21 1xpw h VAL 119 CO 1.14 0.77 -0.15 -0.44 0.02 0.00 0.00 177.57 178.91 1xpw s SER 120 N -7.02 -0.20 0.08 0.57 0.01 -1.25 -4.78 113.70 101.13 1xpw s SER 120 Ca -0.04 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.05 1xpw s SER 120 Cb 0.09 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 66.70 1xpw s SER 120 CO 0.85 -0.71 -0.07 0.00 0.41 0.00 0.00 173.24 173.72 1xpw s ALA 121 N -2.99 0.87 0.25 1.44 0.00 -1.26 -1.32 121.76 118.75 1xpw s ALA 121 Ca -0.02 -1.18 0.15 0.00 0.00 0.00 0.00 51.96 50.91 1xpw s ALA 121 Cb 0.00 0.12 0.61 0.00 0.00 0.00 0.00 23.12 23.86 1xpw s ALA 121 CO -0.06 -0.17 1.72 0.74 0.00 0.00 0.00 175.76 177.99 1xpw h PHE 122 N 3.41 0.00 -4.36 0.00 0.04 -0.65 -3.44 116.94 111.94 1xpw h PHE 122 Ca -0.35 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.27 1xpw h PHE 122 Cb 1.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.31 1xpw h PHE 122 CO 0.61 0.45 -0.09 -3.47 -0.60 0.00 0.00 178.31 175.21 1xpw n ASP 123 N -3.73 1.82 -0.58 2.17 -0.08 -1.25 -5.02 116.55 109.87 1xpw n ASP 123 Ca -0.01 -1.49 0.13 0.00 -1.51 0.00 0.00 54.79 51.91 1xpw n ASP 123 Cb 0.52 0.03 0.42 0.00 2.34 0.00 0.00 41.12 44.43 1xpw n ASP 123 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1xpw n HIS 124 N -0.58 0.08 -3.74 -0.67 8.25 -1.26 -4.75 115.22 112.54 1xpw n HIS 124 Ca -0.03 -0.04 -0.14 0.00 -0.26 0.00 0.00 57.72 57.26 1xpw n HIS 124 Cb 0.15 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.12 1xpw n HIS 124 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 1xpw s PHE 125 N -1.92 -0.18 -0.22 4.41 -0.71 -1.26 -4.43 117.98 113.66 1xpw s PHE 125 Ca 0.35 0.52 -0.10 0.00 -1.04 0.00 0.00 56.93 56.67 1xpw s PHE 125 Cb 0.20 -0.08 -0.05 0.00 -1.21 0.00 0.00 43.02 41.88 1xpw s PHE 125 CO 0.31 -0.18 0.14 0.00 -1.34 0.00 0.00 175.22 174.15 1xpw s ALA 126 N 1.26 3.62 -0.22 1.99 0.00 -1.26 -4.89 121.76 122.26 1xpw s ALA 126 Ca -0.08 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1xpw s ALA 126 Cb -0.12 -2.22 0.04 0.00 0.00 0.00 0.00 23.12 20.83 1xpw s ALA 126 CO -0.06 -0.01 -0.12 -1.12 0.00 0.00 0.00 175.76 174.45 1xpw s SER 127 N 0.69 3.70 0.02 0.00 0.01 -1.26 -1.85 113.70 115.00 1xpw s SER 127 Ca 0.07 -1.02 -0.22 0.00 1.31 0.00 0.00 55.95 56.10 1xpw s SER 127 Cb -0.12 -1.37 -0.05 0.00 0.21 0.00 0.00 66.02 64.68 1xpw s SER 127 CO 0.01 -0.14 0.65 0.54 0.41 0.00 0.00 173.24 174.71 1xpw s VAL 128 N 1.29 4.84 -0.22 3.43 0.11 -1.04 -3.41 120.40 125.40 1xpw s VAL 128 Ca -0.03 1.36 -0.10 0.00 -2.93 0.00 0.00 61.98 60.28 1xpw s VAL 128 Cb -0.17 -3.99 -0.10 0.00 -1.53 0.00 0.00 36.38 30.60 1xpw s VAL 128 CO -0.08 0.41 -0.27 1.57 -3.33 0.00 0.00 175.10 173.40 1xpw n HIS 129 N 2.68 0.00 -3.79 1.54 -0.00 -0.47 -2.90 115.22 112.27 1xpw n HIS 129 Ca -0.06 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 57.99 1xpw n HIS 129 Cb 0.51 -0.79 -0.13 0.00 -0.12 0.00 0.00 29.99 29.46 1xpw n HIS 129 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1xpw s SER 130 N -6.88 -0.14 -0.02 0.26 0.01 -1.14 -4.86 113.70 100.93 1xpw s SER 130 Ca -0.30 0.30 0.02 0.00 1.31 0.00 0.00 55.95 57.28 1xpw s SER 130 Cb 0.11 0.25 -0.00 0.00 0.21 0.00 0.00 66.02 66.59 1xpw s SER 130 CO 0.39 -0.09 -0.08 0.68 0.41 0.00 0.00 173.24 174.55 1xpw s VAL 131 N 0.57 0.66 -0.12 3.43 -7.23 -1.26 -0.38 120.40 116.07 1xpw s VAL 131 Ca -0.04 -0.32 -0.07 0.00 -1.81 0.00 0.00 61.98 59.74 1xpw s VAL 131 Cb -0.06 -0.58 0.04 0.00 0.56 0.00 0.00 36.38 36.35 1xpw s VAL 131 CO -0.03 0.20 0.28 -0.44 -0.31 0.00 0.00 175.10 174.81 1xpw s SER 132 N 0.04 -0.31 -0.37 4.85 0.01 -0.10 -4.70 113.70 113.11 1xpw s SER 132 Ca -0.00 0.60 -0.10 0.00 1.31 0.00 0.00 55.95 57.75 1xpw s SER 132 Cb -0.06 0.52 0.03 0.00 0.21 0.00 0.00 66.02 66.72 1xpw s SER 132 CO -0.00 -0.15 0.19 0.00 0.41 0.00 0.00 173.24 173.69 1xpw s ALA 133 N 0.96 3.23 -0.38 1.44 0.00 -1.26 -0.37 121.76 125.39 1xpw s ALA 133 Ca -0.07 -1.72 -0.18 0.00 0.00 0.00 0.00 51.96 49.99 1xpw s ALA 133 Cb -0.08 -2.53 0.01 0.00 0.00 0.00 0.00 23.12 20.52 1xpw s ALA 133 CO -0.07 -1.37 0.51 -1.21 0.00 0.00 0.00 175.76 173.62 1xpw s GLU 134 N 1.53 3.42 0.00 0.00 2.02 -0.15 -1.25 118.70 124.27 1xpw s GLU 134 Ca 0.01 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.64 1xpw s GLU 134 Cb -0.19 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.16 1xpw s GLU 134 CO 0.06 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 174.99 1xpw n GLY 135 N 4.93 3.63 2.95 -1.39 0.00 -1.21 -1.05 105.19 113.06 1xpw n GLY 135 Ca -0.05 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 0.51 0.14 0.18 2.61 -4.23 0.33 -1.98 115.64 113.20 1xpw s THR 136 Ca 0.00 -0.61 -0.30 0.00 -1.18 0.00 0.00 61.69 59.60 1xpw s THR 136 Cb 0.00 -0.23 -0.07 0.00 1.34 0.00 0.00 72.50 73.54 1xpw s THR 136 CO 0.00 -0.30 0.98 0.68 -0.54 0.00 0.00 174.62 175.44 1xpw s VAL 137 N -0.93 4.21 0.00 2.29 -7.23 -1.26 -0.87 120.40 116.60 1xpw s VAL 137 Ca -0.09 1.99 -0.00 0.00 -1.81 0.00 0.00 61.98 62.06 1xpw s VAL 137 Cb -0.07 -4.27 -0.00 0.00 0.56 0.00 0.00 36.38 32.61 1xpw s VAL 137 CO -0.00 0.38 -0.00 0.52 -0.31 0.00 0.00 175.10 175.68 1xpw n VAL 138 N 2.18 0.02 -3.52 1.32 0.31 -1.12 -4.89 118.33 112.62 1xpw n VAL 138 Ca 0.01 0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 64.02 1xpw n VAL 138 Cb 0.48 -1.10 -0.07 0.00 -0.91 0.00 0.00 33.84 32.23 1xpw n VAL 138 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1xpw s SER 139 N -4.83 5.85 -0.17 4.52 0.01 0.62 -5.03 113.70 114.66 1xpw s SER 139 Ca -0.00 -2.17 -0.11 0.00 1.31 0.00 0.00 55.95 54.98 1xpw s SER 139 Cb 0.00 -2.04 -0.05 0.00 0.21 0.00 0.00 66.02 64.14 1xpw s SER 139 CO 0.00 -0.64 0.19 0.20 0.41 0.00 0.00 173.24 173.40 1xpw s ASN 140 N 2.38 6.32 0.00 2.44 0.01 -1.26 -2.55 114.94 122.28 1xpw s ASN 140 Ca 0.09 0.37 0.00 0.00 -0.71 0.00 0.00 52.86 52.61 1xpw s ASN 140 Cb -0.23 -2.12 0.00 0.00 0.41 0.00 0.00 41.25 39.31 1xpw s ASN 140 CO -0.02 0.19 0.15 0.00 -1.51 0.00 0.00 177.10 175.91 1xpw n LEU 141 N 3.28 0.30 -0.36 0.60 -0.00 -1.26 -4.64 117.00 114.93 1xpw n LEU 141 Ca -0.15 -0.61 0.14 0.00 -0.00 0.00 0.00 56.01 55.39 1xpw n LEU 141 Cb 0.52 0.00 0.61 0.00 -0.00 0.00 0.00 43.42 44.55 1xpw n LEU 141 CO 0.37 0.08 0.91 -1.54 -0.00 0.00 0.00 177.39 177.20 1xpw n SER 142 N -0.62 1.14 0.00 1.45 3.41 -1.26 -5.18 113.62 112.56 1xpw n SER 142 Ca 0.00 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 1xpw n SER 142 Cb 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1xpw n SER 142 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34