#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpw n ARG 2 N 0.00 1.59 -3.74 0.03 1.85 -1.26 -4.23 116.66 110.89 1xpw n ARG 2 Ca 0.00 -0.60 -0.30 0.00 -1.00 0.00 0.00 57.85 55.95 1xpw n ARG 2 Cb 0.00 -1.40 -0.13 0.00 -1.05 0.00 0.00 32.46 29.88 1xpw n ARG 2 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1xpw s LYS 3 N -1.57 1.24 -0.17 2.89 2.20 -1.23 -3.28 119.74 119.82 1xpw s LYS 3 Ca 0.11 -1.89 0.01 0.00 -0.36 0.00 0.00 55.97 53.84 1xpw s LYS 3 Cb 0.07 -2.38 0.02 0.00 -1.51 0.00 0.00 37.83 34.03 1xpw s LYS 3 CO 0.05 -1.12 -0.20 -1.50 -0.36 0.00 0.00 175.35 172.22 1xpw s ILE 4 N 0.54 2.03 -0.80 5.43 2.07 -1.09 -4.91 121.20 124.47 1xpw s ILE 4 Ca 0.16 -0.93 -0.25 0.00 -1.41 0.00 0.00 60.65 58.22 1xpw s ILE 4 Cb -0.23 -1.83 -0.02 0.00 0.13 0.00 0.00 42.46 40.50 1xpw s ILE 4 CO -0.04 0.54 1.82 -1.81 -1.91 0.00 0.00 174.94 173.54 1xpw s ASP 5 N 1.20 5.38 0.00 4.50 1.11 -1.26 -3.85 116.67 123.75 1xpw s ASP 5 Ca 0.02 -0.37 0.00 0.00 0.18 0.00 0.00 52.55 52.39 1xpw s ASP 5 Cb -0.14 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.30 1xpw s ASP 5 CO -0.11 -2.44 0.90 0.18 1.18 0.00 0.00 175.17 174.89 1xpw n LEU 6 N 12.75 0.12 0.01 1.23 4.77 0.24 -3.06 117.00 133.06 1xpw n LEU 6 Ca 0.30 -0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.33 1xpw n LEU 6 Cb 0.49 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.57 1xpw n LEU 6 CO 0.65 0.03 0.11 0.00 -1.33 0.00 0.00 177.39 176.85 1xpw s LEU 8 N -3.42 4.51 0.54 0.00 1.43 -1.17 -4.48 118.68 116.09 1xpw s LEU 8 Ca 0.07 2.27 0.34 0.00 -1.03 0.00 0.00 54.13 55.78 1xpw s LEU 8 Cb 0.16 -3.67 1.50 0.00 0.03 0.00 0.00 46.19 44.21 1xpw s LEU 8 CO 0.79 -0.19 2.02 -1.28 0.23 0.00 0.00 176.35 177.92 1xpw h SER 9 N 3.69 0.00 0.44 2.29 0.87 -1.66 -1.19 113.55 117.99 1xpw h SER 9 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1xpw h SER 9 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1xpw h SER 9 CO 0.66 0.00 -0.49 -0.24 -0.53 0.00 0.00 176.83 176.24 1xpw n SER 10 N -3.00 0.61 0.06 6.23 2.88 -1.26 -3.60 113.62 115.54 1xpw n SER 10 Ca 0.00 -0.38 0.03 0.00 -1.33 0.00 0.00 58.87 57.19 1xpw n SER 10 Cb 0.26 0.27 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1xpw n SER 10 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1xpw h GLU 11 N 0.19 0.00 0.00 -1.46 4.22 -1.55 -3.48 114.58 112.50 1xpw h GLU 11 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1xpw h GLU 11 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1xpw h GLU 11 CO 0.00 0.21 0.00 0.41 -2.18 0.00 0.00 179.01 177.45 1xpw n GLY 12 N 1.32 0.76 3.92 1.92 0.00 -1.13 -5.02 105.19 106.97 1xpw n GLY 12 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.52 6.39 0.07 1.61 0.01 -1.13 -4.53 113.70 115.60 1xpw s SER 13 Ca 0.00 0.35 0.05 0.00 1.31 0.00 0.00 55.95 57.66 1xpw s SER 13 Cb 0.00 -1.99 -0.03 0.00 0.21 0.00 0.00 66.02 64.21 1xpw s SER 13 CO 0.00 0.12 -0.13 -0.70 0.41 0.00 0.00 173.24 172.94 1xpw s GLU 14 N -2.66 0.79 -0.11 12.44 2.56 0.44 -3.96 118.70 128.19 1xpw s GLU 14 Ca 0.37 -0.95 -0.11 0.00 0.00 0.00 0.00 54.97 54.28 1xpw s GLU 14 Cb -0.12 -0.74 -0.05 0.00 2.00 0.00 0.00 34.13 35.22 1xpw s GLU 14 CO 0.27 0.16 0.24 0.54 -0.56 0.00 0.00 175.26 175.91 1xpw s VAL 15 N -1.39 5.33 -0.02 3.70 0.11 -1.26 -0.41 120.40 126.46 1xpw s VAL 15 Ca -0.02 0.44 0.01 0.00 -2.93 0.00 0.00 61.98 59.48 1xpw s VAL 15 Cb -0.09 -3.54 0.01 0.00 -1.53 0.00 0.00 36.38 31.23 1xpw s VAL 15 CO 0.02 0.53 -0.04 -0.51 -3.33 0.00 0.00 175.10 171.77 1xpw s ILE 16 N -0.49 0.40 -0.10 7.04 2.07 0.54 -4.96 121.20 125.70 1xpw s ILE 16 Ca 0.17 -0.13 -0.07 0.00 -1.41 0.00 0.00 60.65 59.21 1xpw s ILE 16 Cb -0.13 -0.40 0.03 0.00 0.13 0.00 0.00 42.46 42.08 1xpw s ILE 16 CO 0.05 0.16 0.13 -0.11 -1.91 0.00 0.00 174.94 173.26 1xpw n LEU 17 N 3.54 -4.23 -3.95 8.50 0.00 -1.26 -1.31 117.00 118.28 1xpw n LEU 17 Ca -0.20 1.23 -0.28 0.00 0.00 0.00 0.00 56.01 56.76 1xpw n LEU 17 Cb 0.54 -2.23 -0.17 0.00 0.00 0.00 0.00 43.42 41.57 1xpw n LEU 17 CO 0.24 -2.16 -0.46 0.00 0.00 0.00 0.00 177.39 175.02 1xpw s ALA 18 N -0.37 1.57 0.09 1.96 0.00 -1.26 -3.07 121.76 120.68 1xpw s ALA 18 Ca -0.15 -0.74 -0.32 0.00 0.00 0.00 0.00 51.96 50.75 1xpw s ALA 18 Cb 0.01 -1.01 -0.15 0.00 0.00 0.00 0.00 23.12 21.98 1xpw s ALA 18 CO 0.43 -0.47 1.61 1.15 0.00 0.00 0.00 175.76 178.48 1xpw h THR 19 N 6.17 0.27 -2.88 0.00 2.02 -1.91 -3.42 112.91 113.15 1xpw h THR 19 Ca -0.32 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.23 1xpw h THR 19 Cb 1.13 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 1xpw h THR 19 CO 0.45 0.00 -0.41 -0.44 0.37 0.00 0.00 175.52 175.50 1xpw s SER 20 N -4.53 6.47 -0.25 4.18 0.01 -1.26 -5.08 113.70 113.24 1xpw s SER 20 Ca -0.17 0.52 -0.16 0.00 1.31 0.00 0.00 55.95 57.45 1xpw s SER 20 Cb 0.05 -2.07 0.07 0.00 0.21 0.00 0.00 66.02 64.28 1xpw s SER 20 CO 0.63 0.26 0.63 -0.55 0.41 0.00 0.00 173.24 174.62 1xpw s SER 21 N -1.71 -0.83 0.16 2.44 0.15 -1.26 -4.86 113.70 107.78 1xpw s SER 21 Ca 0.27 1.37 0.03 0.00 0.70 0.00 0.00 55.95 58.32 1xpw s SER 21 Cb -0.13 1.26 -0.04 0.00 -1.71 0.00 0.00 66.02 65.41 1xpw s SER 21 CO 0.16 -0.23 0.25 -0.62 1.20 0.00 0.00 173.24 174.00 1xpw s ASP 22 N 1.43 6.11 0.35 5.45 -1.08 -0.96 -5.02 116.67 122.96 1xpw s ASP 22 Ca -0.09 0.08 0.19 0.00 -0.52 0.00 0.00 52.55 52.21 1xpw s ASP 22 Cb -0.06 -1.78 0.28 0.00 -1.46 0.00 0.00 42.92 39.90 1xpw s ASP 22 CO -0.16 0.05 1.55 -0.33 0.52 0.00 0.00 175.17 176.80 1xpw h GLU 23 N 2.17 0.00 -0.01 4.34 3.07 -2.01 -3.00 114.58 119.13 1xpw h GLU 23 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 1xpw h GLU 23 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1xpw h GLU 23 CO 0.67 0.31 -0.15 1.63 -1.40 0.00 0.00 179.01 180.06 1xpw n LYS 24 N -3.20 1.47 -3.58 2.33 5.02 -1.26 -4.61 118.16 114.32 1xpw n LYS 24 Ca 0.02 -1.08 -0.27 0.00 -2.02 0.00 0.00 58.31 54.96 1xpw n LYS 24 Cb 0.63 -1.26 -0.10 0.00 -0.02 0.00 0.00 35.03 34.28 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 0.35 1.73 -3.20 2.13 8.25 -1.14 -4.83 115.22 118.50 1xpw n HIS 25 Ca 0.07 -3.91 -0.39 0.00 -0.26 0.00 0.00 57.72 53.23 1xpw n HIS 25 Cb 0.35 -0.33 -0.06 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.21 4.30 0.44 -0.41 0.04 -1.18 -2.27 135.00 134.71 1xpw s PRO 26 Ca 0.31 0.79 0.30 0.00 0.04 0.00 0.00 61.00 62.45 1xpw s PRO 26 Cb 0.04 -3.29 1.33 0.00 0.04 0.00 0.00 34.50 32.62 1xpw s PRO 26 CO -0.14 0.50 1.90 -1.35 0.04 0.00 0.00 177.00 177.95 1xpw h PRO 27 N 5.04 0.00 0.00 0.56 0.11 -1.89 -3.00 132.00 132.83 1xpw h PRO 27 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xpw h PRO 27 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xpw h PRO 27 CO 0.67 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.85 1xpw n GLU 28 N -2.70 0.17 0.00 1.05 4.71 -1.26 -1.27 120.64 121.33 1xpw n GLU 28 Ca 0.01 0.50 0.12 0.00 -0.01 0.00 0.00 57.16 57.77 1xpw n GLU 28 Cb 0.23 -1.89 0.16 0.00 -1.01 0.00 0.00 31.44 28.93 1xpw n GLU 28 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1xpw n ASN 29 N -2.21 2.11 -0.07 1.62 3.02 -1.13 -4.42 115.26 114.18 1xpw n ASN 29 Ca 0.01 -1.57 -0.00 0.00 -0.03 0.00 0.00 54.58 52.99 1xpw n ASN 29 Cb 0.15 0.21 0.28 0.00 -0.61 0.00 0.00 39.78 39.81 1xpw n ASN 29 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1xpw h ILE 30 N 2.96 1.19 0.00 2.41 2.10 -1.39 -2.87 117.51 121.91 1xpw h ILE 30 Ca 0.00 -0.61 0.00 0.00 1.08 0.00 0.00 64.86 65.33 1xpw h ILE 30 Cb 0.76 0.64 0.00 0.00 -1.09 0.00 0.00 36.82 37.13 1xpw h ILE 30 CO 0.00 0.23 -0.73 0.16 -1.08 0.00 0.00 178.15 176.73 1xpw h ILE 31 N 0.69 0.00 0.00 2.19 3.07 -1.77 -3.30 117.51 118.39 1xpw h ILE 31 Ca 0.16 -0.85 0.00 0.00 1.55 0.00 0.00 64.86 65.73 1xpw h ILE 31 Cb 0.17 1.45 0.00 0.00 -0.27 0.00 0.00 36.82 38.17 1xpw h ILE 31 CO -0.01 0.00 -0.75 -0.78 -1.05 0.00 0.00 178.15 175.55 1xpw h ASP 32 N 0.00 0.00 -3.23 2.16 3.58 -1.73 -3.05 116.42 114.15 1xpw h ASP 32 Ca 0.00 -0.22 -0.09 0.00 0.42 0.00 0.00 57.03 57.14 1xpw h ASP 32 Cb 0.92 0.00 0.05 0.00 1.72 0.00 0.00 39.33 42.02 1xpw h ASP 32 CO 0.00 0.11 -0.23 0.61 -2.88 0.00 0.00 179.24 176.85 1xpw n GLY 33 N 1.33 0.24 3.43 -0.78 0.00 -1.16 -4.78 105.19 103.47 1xpw n GLY 33 Ca 0.03 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.31 5.75 0.41 1.61 0.01 -1.25 -4.96 114.94 113.21 1xpw s ASN 34 Ca 0.04 -0.74 0.29 0.00 -0.71 0.00 0.00 52.86 51.73 1xpw s ASN 34 Cb -0.00 -2.05 1.34 0.00 0.41 0.00 0.00 41.25 40.95 1xpw s ASN 34 CO 0.21 -0.31 1.87 -0.65 -1.51 0.00 0.00 177.10 176.71 1xpw h PRO 35 N 8.43 0.00 -0.12 -0.60 0.11 -1.95 -2.96 132.00 134.91 1xpw h PRO 35 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1xpw h PRO 35 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1xpw h PRO 35 CO 0.65 0.00 0.08 1.49 -0.21 0.00 0.00 178.00 180.01 1xpw h GLU 36 N 0.00 0.15 -4.93 1.05 4.57 -2.00 -3.39 114.58 110.03 1xpw h GLU 36 Ca 0.00 -0.01 -0.67 0.00 -1.18 0.00 0.00 59.36 57.50 1xpw h GLU 36 Cb 0.27 -0.03 -0.33 0.00 -0.16 0.00 0.00 28.75 28.50 1xpw h GLU 36 CO 0.00 0.10 -0.77 0.95 -1.18 0.00 0.00 179.01 178.11 1xpw s THR 37 N -6.18 2.68 -0.05 0.32 -4.23 -1.12 -5.09 115.64 101.97 1xpw s THR 37 Ca -0.13 -1.07 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 1xpw s THR 37 Cb 0.07 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1xpw s THR 37 CO 0.68 0.23 0.05 0.72 -0.54 0.00 0.00 174.62 175.76 1xpw s PHE 38 N 1.30 3.26 -0.37 3.99 -0.71 -1.26 -4.74 117.98 119.45 1xpw s PHE 38 Ca 0.00 0.23 -0.16 0.00 -1.04 0.00 0.00 56.93 55.96 1xpw s PHE 38 Cb -0.16 -1.78 -0.00 0.00 -1.21 0.00 0.00 43.02 39.87 1xpw s PHE 38 CO -0.06 0.54 0.42 -0.46 -1.34 0.00 0.00 175.22 174.32 1xpw s TRP 39 N -1.06 3.19 -0.02 3.49 -0.00 -1.26 -4.76 118.94 118.52 1xpw s TRP 39 Ca 0.18 -0.08 0.05 0.00 -0.00 0.00 0.00 56.10 56.25 1xpw s TRP 39 Cb -0.12 -2.80 -0.01 0.00 -0.00 0.00 0.00 33.47 30.54 1xpw s TRP 39 CO 0.08 -0.54 -0.18 -0.08 -0.00 0.00 0.00 176.95 176.24 1xpw s THR 40 N 2.15 1.42 -0.00 5.86 -1.32 -1.26 -3.66 115.64 118.83 1xpw s THR 40 Ca 0.13 -0.76 -0.25 0.00 -1.21 0.00 0.00 61.69 59.61 1xpw s THR 40 Cb -0.16 -1.19 -0.05 0.00 -1.51 0.00 0.00 72.50 69.59 1xpw s THR 40 CO 0.13 0.40 0.75 -0.89 -2.21 0.00 0.00 174.62 172.80 1xpw s THR 41 N -0.30 4.87 -2.00 5.08 2.01 -0.90 -4.89 115.64 119.50 1xpw s THR 41 Ca 0.04 1.58 0.04 0.00 0.31 0.00 0.00 61.69 63.66 1xpw s THR 41 Cb -0.08 -4.09 0.11 0.00 0.01 0.00 0.00 72.50 68.44 1xpw s THR 41 CO 0.00 0.31 1.05 0.35 -0.69 0.00 0.00 174.62 175.63 1xpw n THR 42 N 3.25 0.00 0.00 -0.82 -2.24 -1.26 -4.09 114.28 109.11 1xpw n THR 42 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1xpw n THR 42 Cb 0.51 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1xpw n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xpw n GLY 43 N 0.44 1.60 3.39 3.38 0.00 -1.25 -5.00 105.19 107.74 1xpw n GLY 43 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.48 3.05 -0.10 1.61 1.00 -1.26 -5.05 119.30 118.07 1xpw s MET 44 Ca 0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 55.69 54.41 1xpw s MET 44 Cb 0.00 -4.22 -0.03 0.00 0.00 0.00 0.00 34.83 30.58 1xpw s MET 44 CO 0.00 -1.40 0.00 -0.06 0.00 0.00 0.00 175.02 173.56 1xpw s PHE 45 N 2.47 3.16 0.58 -0.03 0.08 -1.26 -3.74 117.98 119.24 1xpw s PHE 45 Ca 0.11 0.16 -0.06 0.00 0.12 0.00 0.00 56.93 57.25 1xpw s PHE 45 Cb -0.24 -1.81 -0.00 0.00 -0.57 0.00 0.00 43.02 40.40 1xpw s PHE 45 CO 0.07 0.42 0.90 -1.25 -0.10 0.00 0.00 175.22 175.27 1xpw s PRO 46 N -0.74 3.05 -0.34 0.24 0.04 -1.26 -5.07 135.00 130.93 1xpw s PRO 46 Ca 0.12 0.10 -0.08 0.00 0.04 0.00 0.00 61.00 61.17 1xpw s PRO 46 Cb -0.12 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.19 1xpw s PRO 46 CO 0.02 -0.63 0.14 -0.65 0.04 0.00 0.00 177.00 175.91 1xpw s GLN 47 N -4.98 2.87 -0.13 4.56 -0.21 0.17 -4.96 119.66 116.97 1xpw s GLN 47 Ca 0.53 -1.03 0.02 0.00 0.02 0.00 0.00 55.36 54.91 1xpw s GLN 47 Cb -0.11 -3.54 0.01 0.00 1.00 0.00 0.00 33.01 30.38 1xpw s GLN 47 CO 0.46 -0.60 -0.20 -1.83 -2.12 0.00 0.00 175.29 171.00 1xpw s GLU 48 N 1.49 2.79 -0.00 2.91 -1.05 -1.26 -0.33 118.70 123.26 1xpw s GLU 48 Ca 0.01 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.06 1xpw s GLU 48 Cb -0.19 -2.27 -0.00 0.00 -0.44 0.00 0.00 34.13 31.23 1xpw s GLU 48 CO 0.04 -0.02 -0.01 -0.59 0.95 0.00 0.00 175.26 175.63 1xpw s PHE 49 N 0.84 0.09 -0.10 4.83 -0.71 -0.58 -3.03 117.98 119.32 1xpw s PHE 49 Ca -0.07 -0.02 0.00 0.00 -1.04 0.00 0.00 56.93 55.79 1xpw s PHE 49 Cb -0.15 -0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.57 1xpw s PHE 49 CO -0.01 -0.00 -0.09 0.42 -1.34 0.00 0.00 175.22 174.19 1xpw s ILE 50 N -0.05 3.50 -0.26 -4.49 1.01 -0.43 -1.01 121.20 119.48 1xpw s ILE 50 Ca 0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 1xpw s ILE 50 Cb -0.01 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1xpw s ILE 50 CO -0.00 0.56 0.01 -0.63 0.00 0.00 0.00 174.94 174.88 1xpw s ILE 51 N -0.31 3.62 -0.20 2.92 1.01 0.50 -0.34 121.20 128.41 1xpw s ILE 51 Ca 0.04 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 1xpw s ILE 51 Cb -0.13 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1xpw s ILE 51 CO 0.02 0.24 0.07 0.00 0.00 0.00 0.00 174.94 175.28 1xpw h PHE 53 N 7.06 0.00 0.00 0.00 0.04 -1.15 0.13 116.94 123.01 1xpw h PHE 53 Ca -0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.40 1xpw h PHE 53 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1xpw h PHE 53 CO 0.59 0.07 0.00 0.72 -0.60 0.00 0.00 178.31 179.10 1xpw n HIS 54 N -3.07 0.00 -3.94 -0.55 8.25 -1.26 -4.27 115.22 110.38 1xpw n HIS 54 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.37 1xpw n HIS 54 Cb 0.56 -1.04 -0.00 0.00 1.12 0.00 0.00 29.99 30.63 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 -0.94 2.14 -0.39 -0.41 -2.85 -1.26 -4.82 119.74 111.21 1xpw s LYS 55 Ca 0.00 -1.64 -0.13 0.00 -1.00 0.00 0.00 55.97 53.19 1xpw s LYS 55 Cb 0.00 0.54 0.02 0.00 -2.06 0.00 0.00 37.83 36.33 1xpw s LYS 55 CO 0.00 -0.95 0.26 -1.01 0.10 0.00 0.00 175.35 173.74 1xpw s HIS 56 N -2.51 3.24 0.09 1.78 3.76 -0.40 -4.47 115.29 116.78 1xpw s HIS 56 Ca 0.23 -0.65 0.09 0.00 -0.15 0.00 0.00 55.06 54.57 1xpw s HIS 56 Cb -0.03 -2.52 -0.03 0.00 1.11 0.00 0.00 32.58 31.10 1xpw s HIS 56 CO 0.17 -0.57 -0.22 0.14 -0.85 0.00 0.00 174.74 173.40 1xpw s VAL 57 N 1.64 1.83 -0.37 -0.90 -7.23 -1.25 -0.36 120.40 113.77 1xpw s VAL 57 Ca 0.04 -1.52 -0.14 0.00 -1.81 0.00 0.00 61.98 58.55 1xpw s VAL 57 Cb -0.19 -1.64 -0.00 0.00 0.56 0.00 0.00 36.38 35.12 1xpw s VAL 57 CO 0.09 0.04 0.29 -0.60 -0.31 0.00 0.00 175.10 174.61 1xpw s ARG 58 N -1.77 3.31 -0.20 4.82 3.52 0.51 -2.71 118.95 126.43 1xpw s ARG 58 Ca 0.08 -0.74 -0.20 0.00 -0.13 0.00 0.00 55.73 54.74 1xpw s ARG 58 Cb -0.10 -3.87 -0.03 0.00 -1.56 0.00 0.00 34.95 29.39 1xpw s ARG 58 CO 0.04 -0.58 0.61 0.42 -0.81 0.00 0.00 175.30 174.98 1xpw s ILE 59 N 1.78 5.03 -0.13 4.11 1.01 0.25 -1.61 121.20 131.64 1xpw s ILE 59 Ca 0.07 1.15 0.05 0.00 0.00 0.00 0.00 60.65 61.92 1xpw s ILE 59 Cb -0.18 -3.93 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 1xpw s ILE 59 CO 0.11 0.12 0.17 -0.62 0.00 0.00 0.00 174.94 174.72 1xpw n GLU 60 N 5.03 2.84 -3.56 2.79 1.02 0.33 -1.64 120.64 127.46 1xpw n GLU 60 Ca -0.02 -0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.02 1xpw n GLU 60 Cb 0.50 -0.93 -0.03 0.00 -0.02 0.00 0.00 31.44 30.96 1xpw n GLU 60 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1xpw s ARG 61 N -1.91 0.59 -0.02 3.49 3.52 -0.97 -3.65 118.95 120.00 1xpw s ARG 61 Ca 0.00 -0.09 0.02 0.00 -0.13 0.00 0.00 55.73 55.53 1xpw s ARG 61 Cb 0.04 0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.70 1xpw s ARG 61 CO 0.22 -0.23 -0.08 -0.51 -0.81 0.00 0.00 175.30 173.89 1xpw s LEU 62 N -1.87 1.82 -0.40 -0.88 1.02 0.47 -0.35 118.68 118.49 1xpw s LEU 62 Ca 0.04 -0.16 -0.12 0.00 0.02 0.00 0.00 54.13 53.91 1xpw s LEU 62 Cb -0.01 -0.47 0.04 0.00 0.02 0.00 0.00 46.19 45.77 1xpw s LEU 62 CO -0.04 0.06 0.25 -0.69 0.02 0.00 0.00 176.35 175.95 1xpw s VAL 63 N 0.13 4.72 -0.38 -1.59 1.01 0.04 -0.60 120.40 123.73 1xpw s VAL 63 Ca -0.02 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1xpw s VAL 63 Cb -0.07 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.71 1xpw s VAL 63 CO 0.00 -0.32 0.15 -0.63 0.00 0.00 0.00 175.10 174.30 1xpw s ILE 64 N 1.57 3.27 -0.35 2.22 -1.09 0.37 -1.41 121.20 125.78 1xpw s ILE 64 Ca 0.03 -1.82 0.01 0.00 -2.23 0.00 0.00 60.65 56.64 1xpw s ILE 64 Cb -0.20 -3.13 0.09 0.00 -1.58 0.00 0.00 42.46 37.64 1xpw s ILE 64 CO 0.07 -0.51 0.07 -1.58 -1.23 0.00 0.00 174.94 171.76 1xpw s GLN 65 N 1.19 1.83 0.16 2.79 0.74 0.44 -0.42 119.66 126.39 1xpw s GLN 65 Ca 0.04 -1.74 -0.02 0.00 0.05 0.00 0.00 55.36 53.70 1xpw s GLN 65 Cb -0.22 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 1xpw s GLN 65 CO -0.03 -0.90 0.11 -1.12 -0.55 0.00 0.00 175.29 172.80 1xpw s SER 66 N 1.24 0.22 -0.23 6.67 0.01 -1.25 -1.13 113.70 119.24 1xpw s SER 66 Ca 0.06 -1.25 -0.15 0.00 1.31 0.00 0.00 55.95 55.92 1xpw s SER 66 Cb -0.20 0.34 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 1xpw s SER 66 CO -0.06 -0.79 0.37 -0.31 0.41 0.00 0.00 173.24 172.86 1xpw s TYR 67 N -4.09 3.33 0.00 2.43 2.02 0.63 -4.10 117.35 117.57 1xpw s TYR 67 Ca 0.29 0.52 0.00 0.00 -0.37 0.00 0.00 57.07 57.51 1xpw s TYR 67 Cb 0.07 -2.51 0.00 0.00 -0.40 0.00 0.00 41.96 39.12 1xpw s TYR 67 CO 0.06 -0.07 0.00 1.19 -1.57 0.00 0.00 175.55 175.16 1xpw n PHE 68 N 4.70 0.00 -4.08 2.71 3.72 -1.26 -3.80 117.46 119.45 1xpw n PHE 68 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1xpw n PHE 68 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 1xpw n PHE 68 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1xpw n VAL 69 N 0.00 0.00 0.00 -4.37 0.31 -1.26 -4.13 118.33 108.88 1xpw n VAL 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xpw n VAL 69 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1xpw n VAL 69 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1xpw n GLN 70 N -0.15 0.00 -3.64 5.55 7.27 -1.15 -0.73 117.38 124.53 1xpw n GLN 70 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.68 1xpw n GLN 70 Cb 0.00 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.55 1xpw n GLN 70 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1xpw s THR 71 N -0.25 3.98 -0.48 1.69 2.01 -1.16 -1.32 115.64 120.11 1xpw s THR 71 Ca 0.00 -1.59 -0.12 0.00 0.31 0.00 0.00 61.69 60.29 1xpw s THR 71 Cb 0.00 -3.51 0.10 0.00 0.01 0.00 0.00 72.50 69.10 1xpw s THR 71 CO 0.00 -0.56 0.38 -0.22 -0.69 0.00 0.00 174.62 173.53 1xpw s LEU 72 N 1.35 5.70 -0.42 4.42 2.96 -0.40 -1.34 118.68 130.96 1xpw s LEU 72 Ca 0.04 -1.66 -0.17 0.00 -0.22 0.00 0.00 54.13 52.12 1xpw s LEU 72 Cb -0.23 -2.10 0.02 0.00 0.50 0.00 0.00 46.19 44.38 1xpw s LEU 72 CO 0.00 -0.70 0.43 -0.75 -1.32 0.00 0.00 176.35 174.02 1xpw s LYS 73 N 1.50 3.08 -0.29 1.98 2.20 0.46 -0.61 119.74 128.07 1xpw s LYS 73 Ca 0.04 -0.78 -0.09 0.00 -0.36 0.00 0.00 55.97 54.78 1xpw s LYS 73 Cb -0.26 -3.97 -0.02 0.00 -1.51 0.00 0.00 37.83 32.07 1xpw s LYS 73 CO 0.03 -0.85 0.13 0.42 -0.36 0.00 0.00 175.35 174.71 1xpw s ILE 74 N 2.11 4.55 -0.00 5.43 1.01 0.47 -0.35 121.20 134.42 1xpw s ILE 74 Ca 0.12 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 1xpw s ILE 74 Cb -0.17 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 1xpw s ILE 74 CO 0.13 0.16 0.33 -1.61 0.00 0.00 0.00 174.94 173.96 1xpw s GLU 75 N 1.62 3.73 -0.13 2.79 8.01 0.17 -1.59 118.70 133.30 1xpw s GLU 75 Ca 0.05 0.16 -0.04 0.00 0.01 0.00 0.00 54.97 55.16 1xpw s GLU 75 Cb -0.16 -3.14 -0.03 0.00 -4.31 0.00 0.00 34.13 26.49 1xpw s GLU 75 CO 0.06 0.67 0.01 0.21 0.01 0.00 0.00 175.26 176.21 1xpw s LYS 76 N -1.39 3.45 -0.01 1.61 2.20 0.39 -1.55 119.74 124.44 1xpw s LYS 76 Ca 0.25 -0.42 -0.03 0.00 -0.36 0.00 0.00 55.97 55.41 1xpw s LYS 76 Cb -0.15 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1xpw s LYS 76 CO 0.13 0.46 0.07 0.45 -0.36 0.00 0.00 175.35 176.09 1xpw s SER 77 N -0.20 -0.00 -0.09 1.43 0.15 -0.72 -1.00 113.70 113.26 1xpw s SER 77 Ca 0.05 -0.02 0.13 0.00 0.70 0.00 0.00 55.95 56.81 1xpw s SER 77 Cb -0.12 0.15 0.25 0.00 -1.71 0.00 0.00 66.02 64.59 1xpw s SER 77 CO 0.02 -0.13 1.12 0.41 1.20 0.00 0.00 173.24 175.86 1xpw n THR 78 N 2.53 1.13 -1.71 6.45 -1.04 -1.26 -0.62 114.28 119.76 1xpw n THR 78 Ca -0.16 -1.62 -0.30 0.00 -2.04 0.00 0.00 64.05 59.93 1xpw n THR 78 Cb 0.58 0.16 0.20 0.00 -1.82 0.00 0.00 70.33 69.45 1xpw n THR 78 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1xpw s SER 79 N -2.28 2.52 0.12 8.00 0.01 -1.26 -4.75 113.70 116.06 1xpw s SER 79 Ca 0.24 0.35 0.05 0.00 1.31 0.00 0.00 55.95 57.90 1xpw s SER 79 Cb 0.23 -0.44 -0.20 0.00 0.21 0.00 0.00 66.02 65.82 1xpw s SER 79 CO -0.03 -3.11 1.26 0.11 0.41 0.00 0.00 173.24 171.89 1xpw h LYS 80 N -1.90 0.06 -5.74 12.44 1.57 -1.98 -3.45 116.57 117.57 1xpw h LYS 80 Ca -0.44 -0.10 -0.62 0.00 -1.87 0.00 0.00 60.65 57.61 1xpw h LYS 80 Cb 1.25 0.04 -0.13 0.00 0.08 0.00 0.00 32.23 33.47 1xpw h LYS 80 CO 0.37 1.03 -0.60 -1.21 -0.57 0.00 0.00 179.45 178.46 1xpw s GLU 81 N -2.74 1.97 0.00 3.15 2.02 -1.26 -5.01 118.70 116.82 1xpw s GLU 81 Ca -0.00 -2.04 -0.02 0.00 0.02 0.00 0.00 54.97 52.93 1xpw s GLU 81 Cb 0.09 -1.69 -0.09 0.00 0.10 0.00 0.00 34.13 32.54 1xpw s GLU 81 CO 0.83 -0.02 1.81 -0.35 0.02 0.00 0.00 175.26 177.55 1xpw n PRO 82 N -0.96 0.89 -4.27 0.39 -0.04 -1.26 -4.78 135.00 124.96 1xpw n PRO 82 Ca -0.05 -0.35 -0.15 0.00 -0.04 0.00 0.00 63.50 62.91 1xpw n PRO 82 Cb 0.66 -1.58 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 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 1.56 1.24 -0.25 0.52 -7.23 -1.26 -4.98 120.40 110.00 1xpw s VAL 83 Ca 0.24 -2.08 -0.04 0.00 -1.81 0.00 0.00 61.98 58.29 1xpw s VAL 83 Cb 0.11 -1.94 0.01 0.00 0.56 0.00 0.00 36.38 35.13 1xpw s VAL 83 CO 0.00 -0.68 0.07 -0.67 -0.31 0.00 0.00 175.10 173.52 1xpw n ASP 84 N -0.25 -5.34 -4.66 4.85 2.03 -1.26 -4.62 116.55 107.29 1xpw n ASP 84 Ca -0.09 1.31 -0.25 0.00 0.52 0.00 0.00 54.79 56.27 1xpw n ASP 84 Cb 0.61 -5.02 -0.09 0.00 -0.72 0.00 0.00 41.12 35.90 1xpw n ASP 84 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1xpw s PHE 85 N -1.24 2.56 -0.02 -0.67 0.40 -1.26 -4.61 117.98 113.15 1xpw s PHE 85 Ca -0.09 -0.55 -0.01 0.00 -0.60 0.00 0.00 56.93 55.68 1xpw s PHE 85 Cb 0.01 -1.73 0.01 0.00 0.51 0.00 0.00 43.02 41.81 1xpw s PHE 85 CO 0.73 0.37 0.04 -2.00 0.70 0.00 0.00 175.22 175.06 1xpw s GLU 86 N -3.78 0.04 -0.30 0.44 2.12 -0.17 -4.95 118.70 112.10 1xpw s GLU 86 Ca 0.37 0.06 -0.28 0.00 0.36 0.00 0.00 54.97 55.49 1xpw s GLU 86 Cb 0.04 0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 1xpw s GLU 86 CO 0.20 -0.02 2.07 -0.65 -0.54 0.00 0.00 175.26 176.33 1xpw s GLN 87 N 0.09 3.09 -0.08 4.30 -0.21 -1.26 -0.46 119.66 125.13 1xpw s GLN 87 Ca -0.01 1.71 -0.07 0.00 0.02 0.00 0.00 55.36 57.01 1xpw s GLN 87 Cb -0.01 -4.33 -0.02 0.00 1.00 0.00 0.00 33.01 29.64 1xpw s GLN 87 CO -0.00 -2.15 -0.14 1.87 -2.12 0.00 0.00 175.29 172.75 1xpw n TRP 88 N 11.62 0.13 -3.64 0.91 -0.00 -0.62 -4.90 117.44 120.93 1xpw n TRP 88 Ca 0.28 0.06 -0.27 0.00 -0.00 0.00 0.00 57.50 57.56 1xpw n TRP 88 Cb 0.47 -0.31 -0.17 0.00 -0.00 0.00 0.00 31.31 31.30 1xpw n TRP 88 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1xpw s ILE 89 N -1.79 0.13 -0.55 5.87 1.01 -0.66 -5.02 121.20 120.20 1xpw s ILE 89 Ca -0.11 -0.39 -0.09 0.00 0.00 0.00 0.00 60.65 60.06 1xpw s ILE 89 Cb 0.02 -0.79 0.14 0.00 0.01 0.00 0.00 42.46 41.84 1xpw s ILE 89 CO 0.17 -0.32 0.42 -1.61 0.00 0.00 0.00 174.94 173.60 1xpw s GLU 90 N 2.03 2.66 0.27 2.79 2.02 -1.26 -0.39 118.70 126.82 1xpw s GLU 90 Ca 0.02 -1.99 0.06 0.00 0.02 0.00 0.00 54.97 53.09 1xpw s GLU 90 Cb -0.16 -3.97 -0.03 0.00 0.10 0.00 0.00 34.13 30.06 1xpw s GLU 90 CO -0.12 -1.21 0.29 0.21 0.02 0.00 0.00 175.26 174.45 1xpw s LYS 91 N 0.97 3.09 -0.28 1.61 2.20 0.22 -4.90 119.74 122.65 1xpw s LYS 91 Ca 0.09 -0.99 -0.05 0.00 -0.36 0.00 0.00 55.97 54.67 1xpw s LYS 91 Cb -0.23 -2.69 0.02 0.00 -1.51 0.00 0.00 37.83 33.42 1xpw s LYS 91 CO -0.02 0.33 0.03 -0.51 -0.36 0.00 0.00 175.35 174.82 1xpw s ASP 92 N -3.95 4.84 -0.25 1.43 1.11 -1.26 -1.27 116.67 117.32 1xpw s ASP 92 Ca 0.36 -0.81 -0.09 0.00 0.18 0.00 0.00 52.55 52.19 1xpw s ASP 92 Cb -0.08 -1.79 -0.04 0.00 1.07 0.00 0.00 42.92 42.08 1xpw s ASP 92 CO 0.27 -0.18 0.11 -0.76 1.18 0.00 0.00 175.17 175.80 1xpw s LEU 93 N 1.42 3.73 0.49 1.23 1.43 -0.43 -5.02 118.68 121.52 1xpw s LEU 93 Ca 0.01 -0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 52.88 1xpw s LEU 93 Cb -0.17 -2.00 -0.08 0.00 0.03 0.00 0.00 46.19 43.97 1xpw s LEU 93 CO -0.00 0.00 0.94 -0.69 0.23 0.00 0.00 176.35 176.83 1xpw s VAL 94 N 1.42 4.58 -0.47 -1.59 1.01 -1.26 -2.95 120.40 121.14 1xpw s VAL 94 Ca 0.06 1.11 -0.27 0.00 0.00 0.00 0.00 61.98 62.88 1xpw s VAL 94 Cb -0.15 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1xpw s VAL 94 CO 0.05 -0.64 2.23 -2.28 0.00 0.00 0.00 175.10 174.46 1xpw s HIS 95 N -2.55 1.26 -0.29 5.22 2.46 -1.26 -4.54 115.29 115.58 1xpw s HIS 95 Ca 0.57 1.20 -0.03 0.00 0.47 0.00 0.00 55.06 57.27 1xpw s HIS 95 Cb -0.10 -3.77 0.04 0.00 -0.13 0.00 0.00 32.58 28.62 1xpw s HIS 95 CO 0.30 -2.73 0.01 0.95 -2.47 0.00 0.00 174.74 170.81 1xpw s THR 96 N 10.67 3.21 -0.16 0.89 -4.23 -1.26 -5.01 115.64 119.75 1xpw s THR 96 Ca 0.90 -1.18 -0.06 0.00 -1.18 0.00 0.00 61.69 60.18 1xpw s THR 96 Cb -0.19 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 1xpw s THR 96 CO 0.27 -0.03 0.05 -1.83 -0.54 0.00 0.00 174.62 172.54 1xpw s GLU 97 N 1.32 3.73 0.00 3.99 -1.05 -1.26 -4.22 118.70 121.21 1xpw s GLU 97 Ca -0.03 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 54.45 1xpw s GLU 97 Cb -0.19 -3.11 0.00 0.00 -0.44 0.00 0.00 34.13 30.39 1xpw s GLU 97 CO -0.01 0.40 0.00 0.41 0.95 0.00 0.00 175.26 177.01 1xpw n GLY 98 N 3.14 0.31 2.77 -3.83 0.00 -1.26 -4.98 105.19 101.33 1xpw n GLY 98 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.77 -0.04 -0.32 1.61 0.74 -1.26 -5.12 119.66 114.50 1xpw s GLN 99 Ca 0.00 0.21 -0.27 0.00 0.05 0.00 0.00 55.36 55.36 1xpw s GLN 99 Cb 0.00 -0.27 0.01 0.00 1.10 0.00 0.00 33.01 33.85 1xpw s GLN 99 CO 0.00 -0.18 0.96 -0.51 -0.55 0.00 0.00 175.29 175.01 1xpw s LEU 100 N 1.18 3.99 -1.06 3.68 1.43 -1.26 -4.76 118.68 121.88 1xpw s LEU 100 Ca -0.08 0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 53.69 1xpw s LEU 100 Cb -0.13 -3.35 0.12 0.00 0.03 0.00 0.00 46.19 42.86 1xpw s LEU 100 CO -0.03 -0.80 1.33 -1.58 0.23 0.00 0.00 176.35 175.50 1xpw s GLN 101 N 3.42 3.78 -0.83 1.70 0.74 -1.26 -4.95 119.66 122.27 1xpw s GLN 101 Ca 0.40 -1.92 -0.25 0.00 0.05 0.00 0.00 55.36 53.64 1xpw s GLN 101 Cb -0.13 -5.10 0.04 0.00 1.10 0.00 0.00 33.01 28.93 1xpw s GLN 101 CO 0.15 -1.89 1.30 -0.80 -0.55 0.00 0.00 175.29 173.50 1xpw s ASN 102 N 3.68 6.29 -0.25 6.67 -0.87 -1.26 -3.96 114.94 125.23 1xpw s ASN 102 Ca 0.40 -0.87 -0.18 0.00 -1.57 0.00 0.00 52.86 50.64 1xpw s ASN 102 Cb -0.03 -2.55 -0.03 0.00 -0.02 0.00 0.00 41.25 38.63 1xpw s ASN 102 CO -0.05 -1.67 0.52 -0.70 -2.57 0.00 0.00 177.10 172.63 1xpw s GLU 103 N 5.25 4.08 -0.54 -0.60 2.56 0.44 -4.93 118.70 124.97 1xpw s GLU 103 Ca 0.37 0.34 -0.15 0.00 0.00 0.00 0.00 54.97 55.54 1xpw s GLU 103 Cb -0.06 -3.64 0.13 0.00 2.00 0.00 0.00 34.13 32.56 1xpw s GLU 103 CO 0.06 -0.33 0.49 -2.00 -0.56 0.00 0.00 175.26 172.91 1xpw s GLU 104 N 2.25 2.93 -0.53 4.30 2.12 -1.26 -0.48 118.70 128.02 1xpw s GLU 104 Ca 0.22 -1.76 -0.24 0.00 0.36 0.00 0.00 54.97 53.54 1xpw s GLU 104 Cb -0.16 -4.24 0.04 0.00 0.26 0.00 0.00 34.13 30.04 1xpw s GLU 104 CO 0.09 -1.30 0.92 0.42 -0.54 0.00 0.00 175.26 174.85 1xpw s ILE 105 N 1.47 4.43 -0.63 -3.70 1.01 0.23 -4.90 121.20 119.11 1xpw s ILE 105 Ca 0.04 0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.81 1xpw s ILE 105 Cb -0.28 -4.50 0.05 0.00 0.01 0.00 0.00 42.46 37.74 1xpw s ILE 105 CO 0.02 -1.04 1.00 -0.69 0.00 0.00 0.00 174.94 174.23 1xpw s VAL 106 N 3.85 4.26 0.03 2.92 1.01 -1.26 -0.40 120.40 130.81 1xpw s VAL 106 Ca 0.31 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 62.23 1xpw s VAL 106 Cb -0.12 -4.66 -0.00 0.00 0.00 0.00 0.00 36.38 31.59 1xpw s VAL 106 CO 0.21 -1.38 0.12 0.00 0.00 0.00 0.00 175.10 174.05 1xpw s ALA 107 N 4.27 -0.20 -0.16 5.51 0.00 -1.24 -5.00 121.76 124.94 1xpw s ALA 107 Ca 0.27 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.86 1xpw s ALA 107 Cb -0.14 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1xpw s ALA 107 CO 0.14 -0.28 -0.14 -1.01 0.00 0.00 0.00 175.76 174.47 1xpw s HIS 108 N -2.16 2.81 -0.29 0.00 3.76 -1.25 -3.40 115.29 114.76 1xpw s HIS 108 Ca -0.09 -0.93 -0.18 0.00 -0.15 0.00 0.00 55.06 53.72 1xpw s HIS 108 Cb -0.04 -1.90 0.12 0.00 1.11 0.00 0.00 32.58 31.88 1xpw s HIS 108 CO -0.02 -0.42 0.91 0.20 -0.85 0.00 0.00 174.74 174.56 1xpw s GLY 109 N 0.76 -0.19 -0.47 -2.22 0.00 -0.65 -4.99 107.32 99.56 1xpw s GLY 109 Ca -0.05 2.87 -0.21 0.00 0.00 0.00 0.00 44.72 47.32 1xpw s GLY 109 CO 0.01 2.41 0.72 -0.56 0.00 0.00 0.00 173.10 175.68 1xpw s SER 110 N 1.22 6.33 0.06 1.64 0.01 -1.26 -0.59 113.70 121.11 1xpw s SER 110 Ca -0.07 -0.40 0.05 0.00 1.31 0.00 0.00 55.95 56.83 1xpw s SER 110 Cb -0.04 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 1xpw s SER 110 CO -0.14 -0.91 -0.13 0.00 0.41 0.00 0.00 173.24 172.47 1xpw s ALA 111 N 3.07 1.05 -0.10 1.44 0.00 -1.10 -4.61 121.76 121.52 1xpw s ALA 111 Ca 0.24 -0.93 0.11 0.00 0.00 0.00 0.00 51.96 51.38 1xpw s ALA 111 Cb -0.14 -0.08 -0.16 0.00 0.00 0.00 0.00 23.12 22.74 1xpw s ALA 111 CO 0.18 0.14 0.10 0.25 0.00 0.00 0.00 175.76 176.43 1xpw n THR 112 N 1.39 0.64 -4.14 0.00 -2.24 0.21 -3.76 114.28 106.37 1xpw n THR 112 Ca -0.21 -0.46 -0.21 0.00 -2.27 0.00 0.00 64.05 60.90 1xpw n THR 112 Cb 0.54 -0.47 -0.17 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.43 0.84 -0.13 4.78 1.51 -0.75 -0.65 117.35 120.52 1xpw s TYR 113 Ca -0.06 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1xpw s TYR 113 Cb 0.05 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 41.14 1xpw s TYR 113 CO 0.51 -0.23 -0.14 -0.51 -1.11 0.00 0.00 175.55 174.06 1xpw s LEU 114 N 1.05 2.65 -0.33 -1.29 1.43 -0.13 -1.76 118.68 120.29 1xpw s LEU 114 Ca -0.09 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.60 1xpw s LEU 114 Cb -0.14 -1.59 0.04 0.00 0.03 0.00 0.00 46.19 44.53 1xpw s LEU 114 CO -0.01 0.16 0.08 -0.60 0.23 0.00 0.00 176.35 176.21 1xpw s ARG 115 N 0.36 2.58 -0.40 1.70 3.52 -0.59 -0.37 118.95 125.75 1xpw s ARG 115 Ca -0.12 -1.19 -0.17 0.00 -0.13 0.00 0.00 55.73 54.12 1xpw s ARG 115 Cb -0.16 -3.39 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 1xpw s ARG 115 CO 0.06 -0.65 0.43 -0.06 -0.81 0.00 0.00 175.30 174.27 1xpw s PHE 116 N 1.37 3.18 -0.38 5.12 0.40 -0.18 -0.66 117.98 126.83 1xpw s PHE 116 Ca -0.02 -0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 56.01 1xpw s PHE 116 Cb -0.19 -2.86 0.10 0.00 0.51 0.00 0.00 43.02 40.57 1xpw s PHE 116 CO 0.02 -0.64 0.14 0.42 0.70 0.00 0.00 175.22 175.86 1xpw s ILE 117 N 2.13 3.11 -0.89 0.64 1.01 0.52 -1.53 121.20 126.20 1xpw s ILE 117 Ca 0.12 -1.95 -0.24 0.00 0.00 0.00 0.00 60.65 58.59 1xpw s ILE 117 Cb -0.17 -3.08 0.05 0.00 0.01 0.00 0.00 42.46 39.28 1xpw s ILE 117 CO 0.13 -0.56 1.32 -0.63 0.00 0.00 0.00 174.94 175.20 1xpw s ILE 118 N 1.14 3.98 0.19 2.92 1.01 0.56 -0.40 121.20 130.59 1xpw s ILE 118 Ca 0.06 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 1xpw s ILE 118 Cb -0.22 -4.95 0.11 0.00 0.01 0.00 0.00 42.46 37.41 1xpw s ILE 118 CO -0.04 -1.82 1.83 0.58 0.00 0.00 0.00 174.94 175.49 1xpw h VAL 119 N 6.37 1.07 -3.09 2.92 2.07 -1.48 0.51 116.25 124.62 1xpw h VAL 119 Ca -0.01 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1xpw h VAL 119 Cb 1.03 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1xpw h VAL 119 CO 1.32 0.13 0.24 -0.55 0.02 0.00 0.00 177.57 178.74 1xpw s SER 120 N -5.66 0.10 0.05 0.57 0.15 -1.26 -3.98 113.70 103.67 1xpw s SER 120 Ca -0.13 -1.21 -0.03 0.00 0.70 0.00 0.00 55.95 55.28 1xpw s SER 120 Cb 0.14 0.85 -0.02 0.00 -1.71 0.00 0.00 66.02 65.27 1xpw s SER 120 CO 0.75 -1.68 0.04 0.00 1.20 0.00 0.00 173.24 173.55 1xpw s ALA 121 N -2.27 0.21 -1.13 5.45 0.00 -1.26 -2.96 121.76 119.81 1xpw s ALA 121 Ca 0.17 -0.90 0.22 0.00 0.00 0.00 0.00 51.96 51.44 1xpw s ALA 121 Cb -0.05 0.30 0.97 0.00 0.00 0.00 0.00 23.12 24.34 1xpw s ALA 121 CO 0.12 -0.37 1.69 1.19 0.00 0.00 0.00 175.76 178.40 1xpw n PHE 122 N 0.34 0.00 -4.21 0.00 3.72 0.09 -4.78 117.46 112.62 1xpw n PHE 122 Ca -0.16 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.12 1xpw n PHE 122 Cb 0.60 -0.44 -0.10 0.00 -0.94 0.00 0.00 39.48 38.60 1xpw n PHE 122 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1xpw s ASP 123 N -2.87 1.12 0.45 4.37 2.15 -1.26 -5.04 116.67 115.58 1xpw s ASP 123 Ca 0.13 -1.11 0.16 0.00 0.43 0.00 0.00 52.55 52.16 1xpw s ASP 123 Cb 0.14 0.12 1.02 0.00 -0.30 0.00 0.00 42.92 43.91 1xpw s ASP 123 CO 0.37 -0.54 1.97 -0.74 -0.17 0.00 0.00 175.17 176.07 1xpw h HIS 124 N 2.81 0.00 -3.68 -5.34 -0.00 -1.99 -3.42 115.15 103.52 1xpw h HIS 124 Ca -0.36 0.00 -0.68 0.00 -0.00 0.00 0.00 60.37 59.33 1xpw h HIS 124 Cb 1.19 0.00 -0.22 0.00 -0.00 0.00 0.00 27.41 28.38 1xpw h HIS 124 CO 0.55 0.21 -0.73 -0.06 -0.00 0.00 0.00 177.93 177.89 1xpw s PHE 125 N -4.49 2.84 -0.10 5.26 0.08 -1.26 -3.91 117.98 116.40 1xpw s PHE 125 Ca -0.04 -0.21 -0.01 0.00 0.12 0.00 0.00 56.93 56.79 1xpw s PHE 125 Cb 0.15 -1.74 0.03 0.00 -0.57 0.00 0.00 43.02 40.89 1xpw s PHE 125 CO 0.68 0.13 -0.03 0.00 -0.10 0.00 0.00 175.22 175.90 1xpw s ALA 126 N -0.42 0.98 -0.17 5.36 0.00 -1.26 -4.79 121.76 121.47 1xpw s ALA 126 Ca 0.05 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.69 1xpw s ALA 126 Cb -0.12 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.17 1xpw s ALA 126 CO 0.02 -0.49 -0.20 -1.12 0.00 0.00 0.00 175.76 173.97 1xpw s SER 127 N 1.85 3.11 -0.32 0.00 0.01 -1.25 -2.12 113.70 114.99 1xpw s SER 127 Ca 0.05 -0.63 -0.25 0.00 1.31 0.00 0.00 55.95 56.42 1xpw s SER 127 Cb -0.13 -1.46 0.01 0.00 0.21 0.00 0.00 66.02 64.65 1xpw s SER 127 CO -0.07 0.02 0.87 0.54 0.41 0.00 0.00 173.24 175.02 1xpw s VAL 128 N 1.16 4.70 -0.15 3.43 0.11 -1.24 -0.27 120.40 128.15 1xpw s VAL 128 Ca 0.01 1.31 0.18 0.00 -2.93 0.00 0.00 61.98 60.55 1xpw s VAL 128 Cb -0.14 -4.23 -0.25 0.00 -1.53 0.00 0.00 36.38 30.23 1xpw s VAL 128 CO -0.10 -0.34 0.30 1.57 -3.33 0.00 0.00 175.10 173.20 1xpw n HIS 129 N 6.42 0.25 -3.43 1.54 -0.00 -0.74 -4.58 115.22 114.67 1xpw n HIS 129 Ca 0.06 0.09 0.01 0.00 0.46 0.00 0.00 57.72 58.34 1xpw n HIS 129 Cb 0.48 -0.96 -0.04 0.00 -0.12 0.00 0.00 29.99 29.34 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 -5.46 -0.62 0.03 0.26 0.15 -0.28 -5.04 113.70 102.73 1xpw s SER 130 Ca -0.08 0.86 0.05 0.00 0.70 0.00 0.00 55.95 57.48 1xpw s SER 130 Cb 0.08 1.69 -0.02 0.00 -1.71 0.00 0.00 66.02 66.06 1xpw s SER 130 CO 0.84 -0.12 -0.16 0.68 1.20 0.00 0.00 173.24 175.68 1xpw s VAL 131 N 2.44 1.23 -0.09 4.45 -7.23 -1.26 -0.42 120.40 119.52 1xpw s VAL 131 Ca -0.03 -0.94 -0.14 0.00 -1.81 0.00 0.00 61.98 59.05 1xpw s VAL 131 Cb -0.06 -1.09 0.03 0.00 0.56 0.00 0.00 36.38 35.82 1xpw s VAL 131 CO -0.18 0.13 0.36 -0.44 -0.31 0.00 0.00 175.10 174.67 1xpw s SER 132 N -0.94 -0.33 -0.22 4.85 0.01 -0.50 -4.83 113.70 111.74 1xpw s SER 132 Ca 0.04 0.51 -0.07 0.00 1.31 0.00 0.00 55.95 57.74 1xpw s SER 132 Cb -0.07 0.59 -0.03 0.00 0.21 0.00 0.00 66.02 66.72 1xpw s SER 132 CO 0.01 -0.27 0.06 0.00 0.41 0.00 0.00 173.24 173.45 1xpw s ALA 133 N -0.42 3.21 0.03 1.44 0.00 -1.26 -0.78 121.76 123.98 1xpw s ALA 133 Ca -0.05 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.91 1xpw s ALA 133 Cb -0.03 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 1xpw s ALA 133 CO 0.02 -0.25 0.09 -1.21 0.00 0.00 0.00 175.76 174.41 1xpw s GLU 134 N 1.18 3.01 0.00 0.00 2.02 0.52 0.83 118.70 126.27 1xpw s GLU 134 Ca 0.04 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1xpw s GLU 134 Cb -0.14 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.27 1xpw s GLU 134 CO 0.03 0.61 0.00 0.41 0.02 0.00 0.00 175.26 176.33 1xpw n GLY 135 N 0.85 -0.02 3.24 -1.39 0.00 -1.21 -0.51 105.19 106.16 1xpw n GLY 135 Ca -0.11 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 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 -4.00 0.02 -0.02 2.61 -4.23 -0.63 -2.69 115.64 106.71 1xpw s THR 136 Ca 0.00 -0.20 -0.30 0.00 -1.18 0.00 0.00 61.69 60.01 1xpw s THR 136 Cb 0.00 -0.55 -0.03 0.00 1.34 0.00 0.00 72.50 73.26 1xpw s THR 136 CO 0.00 -0.11 1.01 -0.69 -0.54 0.00 0.00 174.62 174.29 1xpw s VAL 137 N -0.47 4.77 -0.17 2.29 1.01 -1.26 -0.36 120.40 126.21 1xpw s VAL 137 Ca -0.06 2.00 0.02 0.00 0.00 0.00 0.00 61.98 63.94 1xpw s VAL 137 Cb -0.04 -4.28 -0.23 0.00 0.00 0.00 0.00 36.38 31.84 1xpw s VAL 137 CO 0.02 0.12 0.17 0.52 0.00 0.00 0.00 175.10 175.94 1xpw n VAL 138 N 4.04 1.61 -3.63 2.92 0.31 0.51 -4.87 118.33 119.22 1xpw n VAL 138 Ca 0.07 -0.68 -0.23 0.00 -0.01 0.00 0.00 64.34 63.49 1xpw n VAL 138 Cb 0.50 -1.36 -0.17 0.00 -0.91 0.00 0.00 33.84 31.90 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 -6.52 1.79 0.24 4.52 0.01 -0.47 -5.01 113.70 108.26 1xpw s SER 139 Ca -0.22 -0.30 0.10 0.00 1.31 0.00 0.00 55.95 56.84 1xpw s SER 139 Cb 0.08 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 1xpw s SER 139 CO 0.73 -0.31 -0.11 0.21 0.41 0.00 0.00 173.24 174.18 1xpw s ASN 140 N 2.16 4.08 -0.06 2.44 2.47 -1.26 -1.28 114.94 123.49 1xpw s ASN 140 Ca 0.03 -0.77 -0.16 0.00 0.42 0.00 0.00 52.86 52.38 1xpw s ASN 140 Cb -0.14 -0.59 -0.11 0.00 -1.45 0.00 0.00 41.25 38.95 1xpw s ASN 140 CO -0.07 0.05 0.67 -0.07 -3.72 0.00 0.00 177.10 173.96 1xpw h LEU 141 N 2.36 -0.25 -8.56 3.21 -0.00 -1.97 -3.41 115.31 106.69 1xpw h LEU 141 Ca -0.44 -0.20 -0.53 0.00 -0.00 0.00 0.00 57.88 56.71 1xpw h LEU 141 Cb 1.24 0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 41.91 1xpw h LEU 141 CO 0.58 0.27 1.20 -0.94 -0.00 0.00 0.00 178.44 179.55 1xpw s SER 142 N -5.32 5.81 0.00 -0.43 1.04 -1.26 -5.25 113.70 108.29 1xpw s SER 142 Ca -0.10 0.33 0.30 0.00 0.48 0.00 0.00 55.95 56.97 1xpw s SER 142 Cb 0.00 -2.54 1.41 0.00 0.10 0.00 0.00 66.02 65.00 1xpw s SER 142 CO 0.34 -1.95 1.95 -1.20 0.98 0.00 0.00 173.24 173.36