#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 1.15 -3.88 0.03 1.85 -1.26 -4.69 116.66 109.85 1xpw n ARG 2 Ca 0.00 -0.12 -0.15 0.00 -1.00 0.00 0.00 57.85 56.58 1xpw n ARG 2 Cb 0.00 -1.51 -0.16 0.00 -1.05 0.00 0.00 32.46 29.75 1xpw n ARG 2 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1xpw s LYS 3 N -1.03 0.13 -0.03 2.89 -2.85 -1.22 -3.20 119.74 114.43 1xpw s LYS 3 Ca 0.02 0.08 -0.24 0.00 -1.00 0.00 0.00 55.97 54.83 1xpw s LYS 3 Cb 0.02 -0.30 0.05 0.00 -2.06 0.00 0.00 37.83 35.54 1xpw s LYS 3 CO 0.01 -0.10 0.52 -1.50 0.10 0.00 0.00 175.35 174.38 1xpw s ILE 4 N 0.74 0.03 -1.07 3.79 2.07 -1.19 -4.83 121.20 120.75 1xpw s ILE 4 Ca -0.07 -0.21 -0.22 0.00 -1.41 0.00 0.00 60.65 58.74 1xpw s ILE 4 Cb -0.10 -0.85 -0.00 0.00 0.13 0.00 0.00 42.46 41.64 1xpw s ILE 4 CO -0.02 -0.11 1.75 -1.81 -1.91 0.00 0.00 174.94 172.84 1xpw s ASP 5 N -1.31 5.87 0.00 4.50 1.11 -1.26 -3.95 116.67 121.63 1xpw s ASP 5 Ca -0.12 -1.44 0.26 0.00 0.18 0.00 0.00 52.55 51.44 1xpw s ASP 5 Cb -0.02 -2.57 1.39 0.00 1.07 0.00 0.00 42.92 42.78 1xpw s ASP 5 CO 0.07 -2.12 1.90 0.18 1.18 0.00 0.00 175.17 176.37 1xpw n LEU 6 N 11.39 0.00 -0.48 1.23 4.77 -0.47 -3.02 117.00 130.41 1xpw n LEU 6 Ca 0.40 0.21 0.12 0.00 -0.03 0.00 0.00 56.01 56.71 1xpw n LEU 6 Cb 0.48 -0.21 0.25 0.00 -2.33 0.00 0.00 43.42 41.61 1xpw n LEU 6 CO 0.66 -0.03 0.59 0.00 -1.33 0.00 0.00 177.39 177.29 1xpw s LEU 8 N -2.31 4.33 0.52 0.00 1.43 -1.17 -4.66 118.68 116.82 1xpw s LEU 8 Ca 0.26 2.22 0.26 0.00 -1.03 0.00 0.00 54.13 55.85 1xpw s LEU 8 Cb 0.19 -3.91 1.45 0.00 0.03 0.00 0.00 46.19 43.95 1xpw s LEU 8 CO 0.46 -0.40 2.08 -1.28 0.23 0.00 0.00 176.35 177.45 1xpw h SER 9 N 3.08 0.00 1.06 2.29 0.87 -0.24 -0.01 113.55 120.60 1xpw h SER 9 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1xpw h SER 9 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1xpw h SER 9 CO 0.64 0.11 -0.08 -1.54 -0.53 0.00 0.00 176.83 175.43 1xpw n SER 10 N -3.72 0.28 0.06 6.23 3.41 -1.26 -2.13 113.62 116.49 1xpw n SER 10 Ca -0.02 0.42 0.12 0.00 -0.26 0.00 0.00 58.87 59.13 1xpw n SER 10 Cb 0.22 -0.46 0.10 0.00 -0.26 0.00 0.00 64.21 63.81 1xpw n SER 10 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1xpw n GLU 11 N -1.71 0.35 0.00 4.33 0.00 -0.09 -4.94 120.64 118.57 1xpw n GLU 11 Ca 0.06 0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.29 1xpw n GLU 11 Cb 0.37 -1.69 0.00 0.00 0.00 0.00 0.00 31.44 30.12 1xpw n GLU 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xpw n GLY 12 N 1.32 1.63 2.99 8.31 0.00 -0.91 -4.99 105.19 113.53 1xpw n GLY 12 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 2.52 0.34 1.61 0.01 -0.76 -4.40 113.70 111.02 1xpw s SER 13 Ca 0.00 -0.43 0.09 0.00 1.31 0.00 0.00 55.95 56.93 1xpw s SER 13 Cb 0.00 -1.08 -0.06 0.00 0.21 0.00 0.00 66.02 65.09 1xpw s SER 13 CO 0.00 -0.07 -0.06 -1.61 0.41 0.00 0.00 173.24 171.91 1xpw s GLU 14 N 1.52 1.91 -0.03 12.44 8.01 -0.80 -2.63 118.70 139.12 1xpw s GLU 14 Ca 0.04 -1.86 -0.19 0.00 0.01 0.00 0.00 54.97 52.97 1xpw s GLU 14 Cb -0.13 -1.79 -0.05 0.00 -4.31 0.00 0.00 34.13 27.85 1xpw s GLU 14 CO -0.10 0.15 0.55 0.14 0.01 0.00 0.00 175.26 176.02 1xpw s VAL 15 N -2.57 4.98 -0.04 2.63 -7.23 -1.26 -0.63 120.40 116.28 1xpw s VAL 15 Ca 0.33 1.14 0.03 0.00 -1.81 0.00 0.00 61.98 61.67 1xpw s VAL 15 Cb 0.01 -3.88 0.01 0.00 0.56 0.00 0.00 36.38 33.07 1xpw s VAL 15 CO 0.17 0.41 -0.11 -0.51 -0.31 0.00 0.00 175.10 174.75 1xpw s ILE 16 N -0.10 1.02 -0.21 -0.62 2.07 0.58 -4.95 121.20 118.99 1xpw s ILE 16 Ca 0.29 -0.46 -0.02 0.00 -1.41 0.00 0.00 60.65 59.06 1xpw s ILE 16 Cb -0.17 -0.91 0.01 0.00 0.13 0.00 0.00 42.46 41.51 1xpw s ILE 16 CO 0.15 0.31 0.03 -0.11 -1.91 0.00 0.00 174.94 173.42 1xpw n LEU 17 N 3.46 -6.11 -4.35 8.50 0.00 -1.26 -1.71 117.00 115.53 1xpw n LEU 17 Ca -0.20 1.16 -0.32 0.00 0.00 0.00 0.00 56.01 56.64 1xpw n LEU 17 Cb 0.53 -2.69 -0.15 0.00 0.00 0.00 0.00 43.42 41.11 1xpw n LEU 17 CO 0.25 -2.44 -0.49 0.00 0.00 0.00 0.00 177.39 174.71 1xpw s ALA 18 N -1.05 2.46 0.20 1.96 0.00 -1.26 -2.61 121.76 121.45 1xpw s ALA 18 Ca -0.04 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 1xpw s ALA 18 Cb 0.00 -0.98 0.13 0.00 0.00 0.00 0.00 23.12 22.27 1xpw s ALA 18 CO 0.57 0.36 1.80 1.15 0.00 0.00 0.00 175.76 179.63 1xpw h THR 19 N 5.15 1.23 -4.21 0.00 2.02 -1.67 -3.43 112.91 112.00 1xpw h THR 19 Ca -0.30 -0.61 -0.50 0.00 0.77 0.00 0.00 66.41 65.76 1xpw h THR 19 Cb 1.20 0.33 -0.29 0.00 -1.74 0.00 0.00 68.15 67.64 1xpw h THR 19 CO 0.51 0.26 -0.82 -0.94 0.37 0.00 0.00 175.52 174.91 1xpw s SER 20 N -6.09 1.76 -0.13 4.18 1.04 -1.26 -5.04 113.70 108.16 1xpw s SER 20 Ca -0.13 -0.27 -0.09 0.00 0.48 0.00 0.00 55.95 55.94 1xpw s SER 20 Cb 0.14 -0.22 0.04 0.00 0.10 0.00 0.00 66.02 66.09 1xpw s SER 20 CO 0.80 0.18 0.33 -0.44 0.98 0.00 0.00 173.24 175.09 1xpw s SER 21 N -0.32 -0.36 0.25 7.02 0.01 -1.26 -5.00 113.70 114.03 1xpw s SER 21 Ca 0.05 0.68 0.11 0.00 1.31 0.00 0.00 55.95 58.10 1xpw s SER 21 Cb -0.06 0.63 -0.05 0.00 0.21 0.00 0.00 66.02 66.75 1xpw s SER 21 CO -0.00 -0.14 -0.19 -0.62 0.41 0.00 0.00 173.24 172.69 1xpw s ASP 22 N 0.70 3.29 0.28 2.44 -1.08 -1.18 -5.03 116.67 116.09 1xpw s ASP 22 Ca -0.04 -1.00 0.22 0.00 -0.52 0.00 0.00 52.55 51.21 1xpw s ASP 22 Cb -0.05 -0.25 0.12 0.00 -1.46 0.00 0.00 42.92 41.27 1xpw s ASP 22 CO -0.05 -0.00 1.24 -0.08 0.52 0.00 0.00 175.17 176.80 1xpw h GLU 23 N 2.51 0.00 0.00 4.34 4.57 -2.02 -3.18 114.58 120.81 1xpw h GLU 23 Ca -0.40 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.75 1xpw h GLU 23 Cb 1.24 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1xpw h GLU 23 CO 0.58 0.01 -0.89 0.87 -1.18 0.00 0.00 179.01 178.41 1xpw h LYS 24 N 0.00 0.00 -2.79 1.92 1.57 -2.01 -3.41 116.57 111.85 1xpw h LYS 24 Ca -0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.17 1xpw h LYS 24 Cb 1.02 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.93 1xpw h LYS 24 CO 0.00 0.06 -0.78 -1.01 -0.57 0.00 0.00 179.45 177.15 1xpw s HIS 25 N -3.27 1.98 0.16 -1.35 3.76 -1.21 -4.97 115.29 110.39 1xpw s HIS 25 Ca 0.00 -2.54 -0.24 0.00 -0.15 0.00 0.00 55.06 52.13 1xpw s HIS 25 Cb 0.09 -1.71 -0.08 0.00 1.11 0.00 0.00 32.58 31.99 1xpw s HIS 25 CO 0.77 -0.75 0.74 -1.25 -0.85 0.00 0.00 174.74 173.41 1xpw s PRO 26 N -0.09 4.49 0.31 8.40 0.05 -1.20 -3.11 135.00 143.84 1xpw s PRO 26 Ca 0.24 1.07 0.21 0.00 0.05 0.00 0.00 61.00 62.57 1xpw s PRO 26 Cb -0.11 -3.23 1.14 0.00 0.05 0.00 0.00 34.50 32.34 1xpw s PRO 26 CO -0.09 0.57 1.66 -2.30 0.05 0.00 0.00 177.00 176.88 1xpw n PRO 27 N 1.55 0.14 0.04 0.56 -0.02 -1.26 -1.42 135.00 134.59 1xpw n PRO 27 Ca -0.06 0.62 0.13 0.00 -2.02 0.00 0.00 63.50 62.17 1xpw n PRO 27 Cb 0.49 -1.94 0.60 0.00 -0.02 0.00 0.00 33.50 32.63 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 0.16 -0.74 -0.52 4.39 -1.99 -1.85 114.58 114.04 1xpw h GLU 28 Ca 0.00 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.77 1xpw h GLU 28 Cb 0.04 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1xpw h GLU 28 CO 0.00 0.11 0.41 -0.97 -1.16 0.00 0.00 179.01 177.40 1xpw h ASN 29 N 0.17 0.59 0.38 1.42 -0.73 -1.62 -1.08 115.58 114.71 1xpw h ASN 29 Ca 0.19 0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.38 1xpw h ASN 29 Cb 0.53 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.04 1xpw h ASN 29 CO -0.03 0.36 -0.18 0.40 -0.37 0.00 0.00 177.43 177.61 1xpw h ILE 30 N 0.72 0.60 -0.00 2.57 2.04 -1.52 -1.33 117.51 120.59 1xpw h ILE 30 Ca 0.34 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1xpw h ILE 30 Cb 0.27 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1xpw h ILE 30 CO -0.22 0.07 -0.14 2.30 0.00 0.00 0.00 178.15 180.16 1xpw n ILE 31 N -5.22 0.00 0.12 -0.67 -5.35 -1.18 -2.69 119.36 104.37 1xpw n ILE 31 Ca -0.10 -0.05 0.11 0.00 -0.27 0.00 0.00 62.75 62.44 1xpw n ILE 31 Cb 0.27 -0.10 -0.13 0.00 -1.74 0.00 0.00 39.64 37.94 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 -1.07 0.23 -1.04 7.28 2.03 -0.42 -0.08 116.55 123.49 1xpw n ASP 32 Ca 0.12 -0.05 -0.01 0.00 0.52 0.00 0.00 54.79 55.38 1xpw n ASP 32 Cb 0.29 1.64 0.00 0.00 -0.72 0.00 0.00 41.12 42.33 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 1.28 0.46 3.61 0.27 0.00 -0.59 -4.96 105.19 105.25 1xpw n GLY 33 Ca -0.02 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.04 6.28 -0.01 1.61 0.02 -0.67 -4.94 114.94 114.19 1xpw s ASN 34 Ca 0.00 0.32 0.00 0.00 -1.02 0.00 0.00 52.86 52.16 1xpw s ASN 34 Cb -0.00 -2.21 0.02 0.00 0.02 0.00 0.00 41.25 39.08 1xpw s ASN 34 CO 0.02 -0.18 0.67 -2.65 0.02 0.00 0.00 177.10 174.98 1xpw n PRO 35 N 5.25 1.10 0.00 -0.60 -0.02 -1.26 -4.25 135.00 135.22 1xpw n PRO 35 Ca -0.08 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1xpw n PRO 35 Cb 0.51 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 1xpw n PRO 35 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1xpw n GLU 36 N -0.10 0.00 -1.67 -0.52 2.13 -1.26 -5.01 120.64 114.20 1xpw n GLU 36 Ca 0.01 0.45 -0.02 0.00 0.66 0.00 0.00 57.16 58.26 1xpw n GLU 36 Cb 0.21 -0.95 0.00 0.00 0.27 0.00 0.00 31.44 30.97 1xpw n GLU 36 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1xpw n THR 37 N -2.01 0.00 -3.91 6.31 5.66 -1.26 -5.16 114.28 113.91 1xpw n THR 37 Ca 0.00 -0.16 -0.10 0.00 -3.05 0.00 0.00 64.05 60.74 1xpw n THR 37 Cb 0.00 -0.47 -0.10 0.00 -1.55 0.00 0.00 70.33 68.22 1xpw n THR 37 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1xpw s PHE 38 N -0.19 0.16 -0.23 1.09 -0.71 -1.26 -4.89 117.98 111.94 1xpw s PHE 38 Ca 0.02 -0.40 -0.18 0.00 -1.04 0.00 0.00 56.93 55.33 1xpw s PHE 38 Cb -0.00 -0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.66 1xpw s PHE 38 CO 0.01 -0.33 0.51 -0.46 -1.34 0.00 0.00 175.22 173.61 1xpw s TRP 39 N -2.20 3.31 0.22 3.49 -0.00 -0.31 -4.83 118.94 118.62 1xpw s TRP 39 Ca -0.08 0.69 0.10 0.00 -0.00 0.00 0.00 56.10 56.81 1xpw s TRP 39 Cb -0.04 -2.69 -0.05 0.00 -0.00 0.00 0.00 33.47 30.70 1xpw s TRP 39 CO -0.03 -0.19 -0.20 -0.08 -0.00 0.00 0.00 176.95 176.45 1xpw s THR 40 N 1.99 2.18 0.16 5.86 -1.32 -1.26 -0.39 115.64 122.86 1xpw s THR 40 Ca 0.22 -2.16 -0.30 0.00 -1.21 0.00 0.00 61.69 58.24 1xpw s THR 40 Cb -0.15 -2.11 -0.07 0.00 -1.51 0.00 0.00 72.50 68.66 1xpw s THR 40 CO 0.09 -0.33 1.00 0.42 -2.21 0.00 0.00 174.62 173.59 1xpw s THR 41 N -2.24 4.20 -1.20 5.08 -4.23 -0.16 -4.92 115.64 112.16 1xpw s THR 41 Ca 0.23 1.93 0.27 0.00 -1.18 0.00 0.00 61.69 62.93 1xpw s THR 41 Cb -0.05 -4.23 0.34 0.00 1.34 0.00 0.00 72.50 69.89 1xpw s THR 41 CO 0.10 0.34 1.88 0.35 -0.54 0.00 0.00 174.62 176.76 1xpw n THR 42 N 2.37 0.16 0.00 3.99 -2.24 -1.26 -4.75 114.28 112.55 1xpw n THR 42 Ca 0.01 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1xpw n THR 42 Cb 0.48 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 1.12 1.71 3.46 3.38 0.00 -1.26 -5.05 105.19 108.56 1xpw n GLY 43 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.58 3.17 0.25 1.61 -2.45 -1.26 -5.04 119.30 115.01 1xpw s MET 44 Ca 0.00 -0.74 -0.01 0.00 -1.25 0.00 0.00 55.69 53.69 1xpw s MET 44 Cb 0.00 -4.12 -0.04 0.00 1.25 0.00 0.00 34.83 31.92 1xpw s MET 44 CO 0.00 -1.40 0.45 -0.06 1.05 0.00 0.00 175.02 175.07 1xpw s PHE 45 N 3.18 3.48 0.78 4.11 0.08 -1.26 -4.44 117.98 123.91 1xpw s PHE 45 Ca 0.20 0.36 -0.10 0.00 0.12 0.00 0.00 56.93 57.51 1xpw s PHE 45 Cb -0.17 -1.88 0.09 0.00 -0.57 0.00 0.00 43.02 40.49 1xpw s PHE 45 CO 0.13 0.29 1.12 -1.25 -0.10 0.00 0.00 175.22 175.41 1xpw s PRO 46 N -3.65 1.86 -0.34 0.24 0.05 -1.26 -5.13 135.00 126.77 1xpw s PRO 46 Ca 0.39 -0.18 -0.08 0.00 0.05 0.00 0.00 61.00 61.18 1xpw s PRO 46 Cb -0.10 -2.05 0.03 0.00 0.05 0.00 0.00 34.50 32.42 1xpw s PRO 46 CO 0.31 -1.55 0.14 -0.65 0.05 0.00 0.00 177.00 175.30 1xpw s GLN 47 N -5.46 2.83 -0.07 4.56 -1.52 0.23 -4.96 119.66 115.27 1xpw s GLN 47 Ca 0.63 -1.05 0.04 0.00 -1.95 0.00 0.00 55.36 53.02 1xpw s GLN 47 Cb -0.10 -3.56 -0.02 0.00 -0.22 0.00 0.00 33.01 29.12 1xpw s GLN 47 CO 0.47 -0.62 -0.17 -1.83 -0.25 0.00 0.00 175.29 172.89 1xpw s GLU 48 N 1.49 2.70 -0.14 2.91 -1.05 -1.26 -0.36 118.70 122.99 1xpw s GLU 48 Ca 0.01 -0.76 -0.10 0.00 -0.15 0.00 0.00 54.97 53.97 1xpw s GLU 48 Cb -0.19 -2.36 0.05 0.00 -0.44 0.00 0.00 34.13 31.19 1xpw s GLU 48 CO 0.04 0.46 0.36 -0.59 0.95 0.00 0.00 175.26 176.48 1xpw s PHE 49 N -0.32 -0.47 -0.08 4.83 -0.71 -0.36 -1.61 117.98 119.26 1xpw s PHE 49 Ca 0.02 1.06 -0.05 0.00 -1.04 0.00 0.00 56.93 56.91 1xpw s PHE 49 Cb -0.13 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 1xpw s PHE 49 CO 0.02 -0.26 0.15 0.42 -1.34 0.00 0.00 175.22 174.22 1xpw s ILE 50 N 0.91 5.46 -0.20 -4.49 1.01 -0.70 -1.05 121.20 122.15 1xpw s ILE 50 Ca -0.06 0.08 -0.00 0.00 0.00 0.00 0.00 60.65 60.67 1xpw s ILE 50 Cb -0.07 -3.44 0.02 0.00 0.01 0.00 0.00 42.46 38.98 1xpw s ILE 50 CO -0.07 0.52 -0.14 -0.63 0.00 0.00 0.00 174.94 174.62 1xpw s ILE 51 N -1.13 2.46 -0.28 2.92 1.01 0.55 -0.31 121.20 126.43 1xpw s ILE 51 Ca 0.19 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 59.86 1xpw s ILE 51 Cb -0.12 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1xpw s ILE 51 CO 0.09 0.45 0.17 0.00 0.00 0.00 0.00 174.94 175.64 1xpw h PHE 53 N 8.34 0.00 0.00 0.00 0.04 -1.52 -2.12 116.94 121.68 1xpw h PHE 53 Ca -0.36 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.41 1xpw h PHE 53 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1xpw h PHE 53 CO 0.74 0.04 0.00 0.72 -0.60 0.00 0.00 178.31 179.21 1xpw n HIS 54 N -2.90 0.00 -4.36 -0.55 8.25 -1.25 -4.52 115.22 109.90 1xpw n HIS 54 Ca 0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.26 1xpw n HIS 54 Cb 0.56 -0.24 -0.08 0.00 1.12 0.00 0.00 29.99 31.35 1xpw n HIS 54 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1xpw n LYS 55 N -1.73 0.46 -2.94 -0.41 2.85 -1.26 -4.66 118.16 110.47 1xpw n LYS 55 Ca 0.00 -3.43 -0.43 0.00 -1.05 0.00 0.00 58.31 53.40 1xpw n LYS 55 Cb 0.00 2.49 -0.05 0.00 -0.65 0.00 0.00 35.03 36.82 1xpw n LYS 55 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1xpw s HIS 56 N -3.29 2.94 0.01 5.58 3.76 -0.07 -4.58 115.29 119.64 1xpw s HIS 56 Ca 0.34 0.07 0.06 0.00 -0.15 0.00 0.00 55.06 55.38 1xpw s HIS 56 Cb 0.02 -3.78 -0.03 0.00 1.11 0.00 0.00 32.58 29.90 1xpw s HIS 56 CO 0.24 -1.09 -0.15 0.14 -0.85 0.00 0.00 174.74 173.03 1xpw s VAL 57 N 3.44 3.00 -0.51 -0.90 -7.23 -1.26 -0.34 120.40 116.60 1xpw s VAL 57 Ca 0.29 -1.00 -0.20 0.00 -1.81 0.00 0.00 61.98 59.26 1xpw s VAL 57 Cb -0.13 -2.25 0.05 0.00 0.56 0.00 0.00 36.38 34.62 1xpw s VAL 57 CO 0.21 0.41 0.69 -0.60 -0.31 0.00 0.00 175.10 175.50 1xpw s ARG 58 N -1.26 3.17 -0.11 4.82 6.06 0.48 -4.11 118.95 127.99 1xpw s ARG 58 Ca 0.14 -0.74 -0.20 0.00 -2.50 0.00 0.00 55.73 52.43 1xpw s ARG 58 Cb -0.11 -4.08 -0.04 0.00 0.06 0.00 0.00 34.95 30.78 1xpw s ARG 58 CO 0.05 -1.26 0.56 0.42 -2.50 0.00 0.00 175.30 172.57 1xpw s ILE 59 N 2.90 5.13 0.00 4.11 1.01 -0.09 -2.00 121.20 132.26 1xpw s ILE 59 Ca 0.18 1.13 0.00 0.00 0.00 0.00 0.00 60.65 61.97 1xpw s ILE 59 Cb -0.18 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.39 1xpw s ILE 59 CO 0.14 0.28 0.00 1.21 0.00 0.00 0.00 174.94 176.57 1xpw n GLU 60 N 3.85 1.46 -3.96 2.79 2.13 0.71 -0.51 120.64 127.12 1xpw n GLU 60 Ca -0.05 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.68 1xpw n GLU 60 Cb 0.51 -0.91 -0.12 0.00 0.27 0.00 0.00 31.44 31.20 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 -1.82 0.26 -0.25 5.31 0.52 -1.02 -1.78 118.95 120.17 1xpw s ARG 61 Ca 0.00 -0.49 -0.03 0.00 -0.52 0.00 0.00 55.73 54.68 1xpw s ARG 61 Cb 0.00 0.09 0.01 0.00 0.52 0.00 0.00 34.95 35.58 1xpw s ARG 61 CO 0.00 -0.04 -0.02 -0.51 0.02 0.00 0.00 175.30 174.74 1xpw s LEU 62 N -1.19 3.26 -0.43 2.53 1.02 0.44 -0.43 118.68 123.89 1xpw s LEU 62 Ca -0.13 -0.70 -0.21 0.00 0.02 0.00 0.00 54.13 53.11 1xpw s LEU 62 Cb -0.08 -1.74 0.02 0.00 0.02 0.00 0.00 46.19 44.41 1xpw s LEU 62 CO -0.01 -0.11 0.66 -0.69 0.02 0.00 0.00 176.35 176.22 1xpw s VAL 63 N 1.41 4.81 -0.31 -1.59 1.01 0.49 -0.39 120.40 125.83 1xpw s VAL 63 Ca 0.02 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 1xpw s VAL 63 Cb -0.16 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.06 1xpw s VAL 63 CO -0.03 -0.57 0.05 -0.63 0.00 0.00 0.00 175.10 173.92 1xpw s ILE 64 N 2.86 3.37 -0.46 2.22 -1.09 0.44 -1.10 121.20 127.45 1xpw s ILE 64 Ca 0.24 -1.23 -0.10 0.00 -2.23 0.00 0.00 60.65 57.33 1xpw s ILE 64 Cb -0.14 -2.91 0.10 0.00 -1.58 0.00 0.00 42.46 37.94 1xpw s ILE 64 CO 0.19 -0.12 0.33 -1.58 -1.23 0.00 0.00 174.94 172.53 1xpw s GLN 65 N 1.33 2.60 0.35 2.79 0.74 -0.72 -0.86 119.66 125.89 1xpw s GLN 65 Ca -0.03 -1.62 -0.10 0.00 0.05 0.00 0.00 55.36 53.66 1xpw s GLN 65 Cb -0.19 -3.91 0.03 0.00 1.10 0.00 0.00 33.01 30.03 1xpw s GLN 65 CO 0.01 -1.10 0.63 -1.54 -0.55 0.00 0.00 175.29 172.74 1xpw s SER 66 N 2.52 0.36 0.04 6.67 1.04 -1.24 -0.54 113.70 122.55 1xpw s SER 66 Ca 0.04 -1.23 0.05 0.00 0.48 0.00 0.00 55.95 55.29 1xpw s SER 66 Cb -0.25 0.74 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 1xpw s SER 66 CO 0.01 -1.46 -0.15 -0.47 0.98 0.00 0.00 173.24 172.15 1xpw s TYR 67 N -2.86 1.32 0.00 5.02 6.14 -0.15 -4.27 117.35 122.55 1xpw s TYR 67 Ca 0.22 -0.36 0.00 0.00 0.64 0.00 0.00 57.07 57.57 1xpw s TYR 67 Cb -0.03 -0.78 0.00 0.00 0.42 0.00 0.00 41.96 41.57 1xpw s TYR 67 CO 0.15 0.05 0.00 1.19 0.64 0.00 0.00 175.55 177.57 1xpw n PHE 68 N 1.85 0.00 -3.97 4.97 3.72 -1.26 -3.56 117.46 119.21 1xpw n PHE 68 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1xpw n PHE 68 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 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 -4.66 118.33 108.34 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 -1.39 0.00 -3.68 5.55 7.27 -1.09 -1.43 117.38 122.60 1xpw n GLN 70 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.69 1xpw n GLN 70 Cb 0.00 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.54 1xpw n GLN 70 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1xpw s THR 71 N -0.80 3.79 -0.31 1.69 -4.23 -0.77 -0.96 115.64 114.06 1xpw s THR 71 Ca 0.00 -1.68 -0.02 0.00 -1.18 0.00 0.00 61.69 58.81 1xpw s THR 71 Cb 0.00 -3.42 0.05 0.00 1.34 0.00 0.00 72.50 70.47 1xpw s THR 71 CO 0.00 -0.57 0.01 -0.22 -0.54 0.00 0.00 174.62 173.30 1xpw s LEU 72 N 1.30 3.95 -0.06 4.79 2.96 -0.75 -0.44 118.68 130.44 1xpw s LEU 72 Ca 0.04 -1.27 -0.04 0.00 -0.22 0.00 0.00 54.13 52.65 1xpw s LEU 72 Cb -0.23 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1xpw s LEU 72 CO -0.01 -0.27 0.11 -1.59 -1.32 0.00 0.00 176.35 173.28 1xpw s LYS 73 N 1.27 3.28 -0.21 1.98 -2.85 0.00 -0.44 119.74 122.77 1xpw s LYS 73 Ca -0.05 -0.30 -0.03 0.00 -1.00 0.00 0.00 55.97 54.59 1xpw s LYS 73 Cb -0.20 -3.03 -0.00 0.00 -2.06 0.00 0.00 37.83 32.54 1xpw s LYS 73 CO -0.01 0.71 -0.07 0.42 0.10 0.00 0.00 175.35 176.51 1xpw s ILE 74 N -1.11 3.13 -0.15 3.79 1.01 0.36 -0.85 121.20 127.38 1xpw s ILE 74 Ca 0.19 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 1xpw s ILE 74 Cb -0.12 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 1xpw s ILE 74 CO 0.09 0.43 0.02 -1.61 0.00 0.00 0.00 174.94 173.88 1xpw s GLU 75 N 1.44 3.64 0.01 2.79 2.02 0.47 0.18 118.70 129.25 1xpw s GLU 75 Ca 0.05 -0.40 0.05 0.00 0.02 0.00 0.00 54.97 54.69 1xpw s GLU 75 Cb -0.14 -3.03 -0.03 0.00 0.10 0.00 0.00 34.13 31.03 1xpw s GLU 75 CO -0.05 0.38 -0.15 -1.59 0.02 0.00 0.00 175.26 173.87 1xpw s LYS 76 N 0.03 2.28 -0.03 1.61 -2.85 0.46 -0.43 119.74 120.81 1xpw s LYS 76 Ca 0.03 -0.86 -0.04 0.00 -1.00 0.00 0.00 55.97 54.11 1xpw s LYS 76 Cb -0.13 -2.30 0.01 0.00 -2.06 0.00 0.00 37.83 33.35 1xpw s LYS 76 CO 0.02 0.57 0.10 0.45 0.10 0.00 0.00 175.35 176.59 1xpw s SER 77 N -1.27 -0.08 -0.03 0.03 0.15 -0.80 -0.96 113.70 110.75 1xpw s SER 77 Ca 0.14 0.13 0.14 0.00 0.70 0.00 0.00 55.95 57.06 1xpw s SER 77 Cb -0.11 0.21 0.43 0.00 -1.71 0.00 0.00 66.02 64.85 1xpw s SER 77 CO 0.05 -0.09 1.36 0.35 1.20 0.00 0.00 173.24 176.11 1xpw n THR 78 N 2.75 1.21 -2.31 6.45 -2.24 -1.26 -0.98 114.28 117.89 1xpw n THR 78 Ca -0.14 -1.11 -0.26 0.00 -2.27 0.00 0.00 64.05 60.27 1xpw n THR 78 Cb 0.59 0.39 0.15 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.09 3.70 0.00 3.42 1.04 -1.26 -4.66 113.70 114.86 1xpw s SER 79 Ca 0.33 -0.14 0.22 0.00 0.48 0.00 0.00 55.95 56.84 1xpw s SER 79 Cb 0.19 -0.05 0.53 0.00 0.10 0.00 0.00 66.02 66.79 1xpw s SER 79 CO 0.19 -2.31 1.46 1.17 0.98 0.00 0.00 173.24 174.73 1xpw n LYS 80 N -3.28 2.48 -4.42 4.02 4.81 -1.26 -4.51 118.16 116.00 1xpw n LYS 80 Ca 0.16 -2.26 -0.26 0.00 -0.87 0.00 0.00 58.31 55.08 1xpw n LYS 80 Cb 0.60 -1.51 -0.11 0.00 0.02 0.00 0.00 35.03 34.03 1xpw n LYS 80 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1xpw s GLU 81 N -1.34 1.65 -0.10 1.64 2.02 -1.26 -5.03 118.70 116.28 1xpw s GLU 81 Ca 0.41 -1.59 -0.02 0.00 0.02 0.00 0.00 54.97 53.80 1xpw s GLU 81 Cb 0.23 -1.86 -0.01 0.00 0.10 0.00 0.00 34.13 32.60 1xpw s GLU 81 CO 0.31 0.38 2.41 -0.35 0.02 0.00 0.00 175.26 178.02 1xpw n PRO 82 N -0.11 1.49 -4.37 0.39 -0.04 -1.26 -4.88 135.00 126.22 1xpw n PRO 82 Ca -0.10 -0.73 -0.23 0.00 -0.04 0.00 0.00 63.50 62.41 1xpw n PRO 82 Cb 0.57 -1.43 -0.13 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 -0.45 1.56 -0.25 0.52 -7.23 -1.26 -4.96 120.40 108.33 1xpw s VAL 83 Ca 0.25 -1.37 -0.04 0.00 -1.81 0.00 0.00 61.98 59.02 1xpw s VAL 83 Cb 0.15 -1.41 0.01 0.00 0.56 0.00 0.00 36.38 35.69 1xpw s VAL 83 CO -0.02 -0.00 0.07 -0.67 -0.31 0.00 0.00 175.10 174.17 1xpw n ASP 84 N 1.40 -5.83 -4.29 4.85 2.03 -1.26 -4.89 116.55 108.56 1xpw n ASP 84 Ca -0.19 1.35 -0.34 0.00 0.52 0.00 0.00 54.79 56.13 1xpw n ASP 84 Cb 0.54 -5.04 -0.14 0.00 -0.72 0.00 0.00 41.12 35.75 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 -1.30 2.90 -0.08 -0.67 0.40 -1.26 -4.55 117.98 113.41 1xpw s PHE 85 Ca -0.08 -1.00 -0.16 0.00 -0.60 0.00 0.00 56.93 55.09 1xpw s PHE 85 Cb 0.01 -2.02 -0.05 0.00 0.51 0.00 0.00 43.02 41.47 1xpw s PHE 85 CO 0.73 -0.52 0.40 -2.00 0.70 0.00 0.00 175.22 174.53 1xpw s GLU 86 N 1.21 4.14 -0.42 0.44 2.12 -0.14 -4.75 118.70 121.30 1xpw s GLU 86 Ca 0.02 0.34 -0.28 0.00 0.36 0.00 0.00 54.97 55.42 1xpw s GLU 86 Cb -0.14 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1xpw s GLU 86 CO -0.03 0.40 1.82 -1.14 -0.54 0.00 0.00 175.26 175.76 1xpw s GLN 87 N -0.11 3.09 -0.01 4.30 0.74 -1.26 -0.40 119.66 126.01 1xpw s GLN 87 Ca 0.23 1.15 -0.02 0.00 0.05 0.00 0.00 55.36 56.77 1xpw s GLN 87 Cb -0.15 -4.26 -0.01 0.00 1.10 0.00 0.00 33.01 29.69 1xpw s GLN 87 CO 0.10 -2.15 0.24 2.35 -0.55 0.00 0.00 175.29 175.27 1xpw h TRP 88 N 13.60 -0.06 -3.74 1.67 7.01 -0.61 -3.48 115.95 130.34 1xpw h TRP 88 Ca -0.31 -0.00 -0.20 0.00 2.11 0.00 0.00 58.89 60.49 1xpw h TRP 88 Cb 1.17 0.02 -0.25 0.00 -2.10 0.00 0.00 29.16 27.99 1xpw h TRP 88 CO 0.98 -0.04 -0.67 0.96 -2.79 0.00 0.00 178.44 176.89 1xpw s ILE 89 N -1.65 0.04 -0.26 2.65 -4.36 -1.20 -5.01 121.20 111.40 1xpw s ILE 89 Ca -0.01 -0.32 0.01 0.00 -0.26 0.00 0.00 60.65 60.07 1xpw s ILE 89 Cb 0.00 -0.14 0.05 0.00 1.25 0.00 0.00 42.46 43.61 1xpw s ILE 89 CO 0.03 -0.18 -0.08 -0.70 0.24 0.00 0.00 174.94 174.25 1xpw s GLU 90 N -0.53 2.45 -0.21 0.37 2.12 -1.26 -0.49 118.70 121.16 1xpw s GLU 90 Ca -0.06 -1.22 -0.02 0.00 0.36 0.00 0.00 54.97 54.02 1xpw s GLU 90 Cb -0.04 -2.95 -0.00 0.00 0.26 0.00 0.00 34.13 31.40 1xpw s GLU 90 CO -0.00 -0.52 -0.09 0.15 -0.54 0.00 0.00 175.26 174.26 1xpw s LYS 91 N 1.19 3.28 -0.15 4.30 -0.14 0.42 -4.97 119.74 123.67 1xpw s LYS 91 Ca -0.05 -0.68 -0.11 0.00 -1.36 0.00 0.00 55.97 53.76 1xpw s LYS 91 Cb -0.19 -2.89 -0.05 0.00 -1.68 0.00 0.00 37.83 33.03 1xpw s LYS 91 CO -0.05 -0.19 0.22 0.16 -0.76 0.00 0.00 175.35 174.74 1xpw s ASP 92 N 1.39 6.38 0.05 2.83 -4.77 -1.26 -1.81 116.67 119.48 1xpw s ASP 92 Ca 0.05 0.45 -0.08 0.00 -3.30 0.00 0.00 52.55 49.67 1xpw s ASP 92 Cb -0.14 -2.14 -0.05 0.00 -1.09 0.00 0.00 42.92 39.50 1xpw s ASP 92 CO -0.05 0.20 0.34 -0.76 0.70 0.00 0.00 175.17 175.60 1xpw s LEU 93 N 0.02 4.36 -0.23 2.11 1.02 -0.13 -5.01 118.68 120.81 1xpw s LEU 93 Ca 0.14 0.68 -0.17 0.00 0.02 0.00 0.00 54.13 54.80 1xpw s LEU 93 Cb -0.12 -2.85 -0.03 0.00 0.02 0.00 0.00 46.19 43.21 1xpw s LEU 93 CO 0.03 0.21 0.46 -0.69 0.02 0.00 0.00 176.35 176.37 1xpw s VAL 94 N -1.36 5.13 0.36 -1.59 1.01 -1.26 -4.69 120.40 118.01 1xpw s VAL 94 Ca 0.31 0.80 -0.28 0.00 0.00 0.00 0.00 61.98 62.80 1xpw s VAL 94 Cb -0.14 -3.78 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 1xpw s VAL 94 CO 0.17 0.17 1.42 -1.38 0.00 0.00 0.00 175.10 175.48 1xpw s HIS 95 N 1.83 2.76 -0.25 5.22 -3.43 -1.26 -5.00 115.29 115.16 1xpw s HIS 95 Ca 0.20 1.25 0.01 0.00 -0.80 0.00 0.00 55.06 55.72 1xpw s HIS 95 Cb -0.15 -3.90 0.04 0.00 -1.43 0.00 0.00 32.58 27.14 1xpw s HIS 95 CO 0.09 -2.58 -0.09 0.95 -2.00 0.00 0.00 174.74 171.11 1xpw s THR 96 N -1.11 2.48 -0.63 -5.38 -4.23 -1.26 -5.07 115.64 100.44 1xpw s THR 96 Ca 0.51 -1.35 -0.25 0.00 -1.18 0.00 0.00 61.69 59.42 1xpw s THR 96 Cb -0.44 -2.35 0.04 0.00 1.34 0.00 0.00 72.50 71.09 1xpw s THR 96 CO 0.59 0.09 1.09 -1.83 -0.54 0.00 0.00 174.62 174.02 1xpw s GLU 97 N 1.21 3.29 0.00 3.99 -1.05 -1.26 -2.93 118.70 121.95 1xpw s GLU 97 Ca -0.04 -0.26 0.00 0.00 -0.15 0.00 0.00 54.97 54.52 1xpw s GLU 97 Cb -0.18 -4.11 0.00 0.00 -0.44 0.00 0.00 34.13 29.40 1xpw s GLU 97 CO -0.05 -1.76 0.00 0.41 0.95 0.00 0.00 175.26 174.81 1xpw n GLY 98 N 5.21 0.47 3.06 -3.83 0.00 -1.26 -5.06 105.19 103.78 1xpw n GLY 98 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.93 2.55 -0.32 1.61 -0.21 -1.15 -5.09 119.66 116.12 1xpw s GLN 99 Ca 0.00 -0.77 -0.22 0.00 0.02 0.00 0.00 55.36 54.40 1xpw s GLN 99 Cb 0.00 -2.40 -0.00 0.00 1.00 0.00 0.00 33.01 31.61 1xpw s GLN 99 CO 0.00 -0.28 0.69 -1.17 -2.12 0.00 0.00 175.29 172.42 1xpw s LEU 100 N 1.36 4.14 -0.07 2.90 1.98 -1.26 -4.63 118.68 123.11 1xpw s LEU 100 Ca 0.03 0.45 -0.01 0.00 -2.89 0.00 0.00 54.13 51.71 1xpw s LEU 100 Cb -0.14 -2.91 -0.03 0.00 0.66 0.00 0.00 46.19 43.77 1xpw s LEU 100 CO -0.11 -0.56 -0.00 -1.10 -1.89 0.00 0.00 176.35 172.69 1xpw s GLN 101 N 2.78 2.93 -0.49 1.98 -0.21 -1.26 -5.06 119.66 120.32 1xpw s GLN 101 Ca 0.28 -0.46 -0.13 0.00 0.02 0.00 0.00 55.36 55.07 1xpw s GLN 101 Cb -0.14 -2.76 0.10 0.00 1.00 0.00 0.00 33.01 31.21 1xpw s GLN 101 CO 0.13 0.68 0.40 -0.80 -2.12 0.00 0.00 175.29 173.59 1xpw s ASN 102 N -1.03 5.99 0.08 5.90 -0.87 -1.26 -3.58 114.94 120.16 1xpw s ASN 102 Ca 0.15 -1.64 -0.14 0.00 -1.57 0.00 0.00 52.86 49.66 1xpw s ASN 102 Cb -0.11 -2.13 -0.06 0.00 -0.02 0.00 0.00 41.25 38.93 1xpw s ASN 102 CO 0.04 -0.72 0.47 -0.70 -2.57 0.00 0.00 177.10 173.62 1xpw s GLU 103 N 1.54 3.92 -0.35 -0.60 2.56 -0.04 -4.86 118.70 120.87 1xpw s GLU 103 Ca 0.04 0.40 -0.06 0.00 0.00 0.00 0.00 54.97 55.34 1xpw s GLU 103 Cb -0.27 -3.07 0.05 0.00 2.00 0.00 0.00 34.13 32.85 1xpw s GLU 103 CO 0.03 0.58 0.13 -1.83 -0.56 0.00 0.00 175.26 173.61 1xpw s GLU 104 N -1.60 2.56 -0.38 4.30 -1.05 -1.26 -0.42 118.70 120.84 1xpw s GLU 104 Ca 0.31 -1.28 -0.20 0.00 -0.15 0.00 0.00 54.97 53.66 1xpw s GLU 104 Cb -0.16 -3.50 0.01 0.00 -0.44 0.00 0.00 34.13 30.05 1xpw s GLU 104 CO 0.17 -0.74 0.62 0.42 0.95 0.00 0.00 175.26 176.69 1xpw s ILE 105 N 1.38 4.88 -0.59 1.83 1.01 0.48 -4.88 121.20 125.31 1xpw s ILE 105 Ca -0.00 0.38 -0.28 0.00 0.00 0.00 0.00 60.65 60.75 1xpw s ILE 105 Cb -0.20 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.19 1xpw s ILE 105 CO 0.02 -0.40 1.20 0.68 0.00 0.00 0.00 174.94 176.44 1xpw s VAL 106 N 2.71 3.99 -0.26 2.92 -7.23 -1.26 -0.42 120.40 120.84 1xpw s VAL 106 Ca 0.23 0.87 -0.09 0.00 -1.81 0.00 0.00 61.98 61.17 1xpw s VAL 106 Cb -0.14 -4.74 0.11 0.00 0.56 0.00 0.00 36.38 32.16 1xpw s VAL 106 CO 0.16 -1.39 0.57 0.00 -0.31 0.00 0.00 175.10 174.13 1xpw s ALA 107 N 5.03 -1.71 -0.23 1.32 0.00 -0.73 -5.02 121.76 120.42 1xpw s ALA 107 Ca 0.42 2.05 -0.06 0.00 0.00 0.00 0.00 51.96 54.37 1xpw s ALA 107 Cb -0.07 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 1xpw s ALA 107 CO 0.25 -0.83 0.03 -3.38 0.00 0.00 0.00 175.76 171.83 1xpw s HIS 108 N 2.70 3.05 0.09 0.00 -3.43 -1.25 -3.48 115.29 112.98 1xpw s HIS 108 Ca -0.05 -0.50 -0.08 0.00 -0.80 0.00 0.00 55.06 53.63 1xpw s HIS 108 Cb -0.12 -2.16 0.03 0.00 -1.43 0.00 0.00 32.58 28.91 1xpw s HIS 108 CO -0.17 -0.33 0.41 0.41 -2.00 0.00 0.00 174.74 173.06 1xpw n GLY 109 N 4.62 1.11 3.07 -1.38 0.00 0.34 -4.98 105.19 107.97 1xpw n GLY 109 Ca -0.17 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 1xpw n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xpw s SER 110 N -1.98 2.18 -0.14 1.61 0.01 -1.26 -0.91 113.70 113.21 1xpw s SER 110 Ca 0.09 -0.38 -0.05 0.00 1.31 0.00 0.00 55.95 56.92 1xpw s SER 110 Cb -0.01 -1.00 0.07 0.00 0.21 0.00 0.00 66.02 65.28 1xpw s SER 110 CO 0.03 0.06 0.28 0.00 0.41 0.00 0.00 173.24 174.02 1xpw s ALA 111 N 0.64 -0.64 0.14 1.44 0.00 -1.26 -4.77 121.76 117.31 1xpw s ALA 111 Ca -0.14 1.02 0.04 0.00 0.00 0.00 0.00 51.96 52.87 1xpw s ALA 111 Cb -0.16 -1.01 -0.11 0.00 0.00 0.00 0.00 23.12 21.84 1xpw s ALA 111 CO 0.04 -0.60 1.32 1.15 0.00 0.00 0.00 175.76 177.67 1xpw h THR 112 N 6.21 1.58 -3.24 0.00 2.02 -1.38 -3.42 112.91 114.69 1xpw h THR 112 Ca -0.18 -2.98 -0.60 0.00 0.77 0.00 0.00 66.41 63.42 1xpw h THR 112 Cb 1.12 2.68 -0.35 0.00 -1.74 0.00 0.00 68.15 69.86 1xpw h THR 112 CO 0.16 0.86 -0.84 -0.31 0.37 0.00 0.00 175.52 175.76 1xpw s TYR 113 N -2.94 2.09 -0.31 3.16 1.51 -0.16 -1.46 117.35 119.24 1xpw s TYR 113 Ca -0.01 -1.02 -0.02 0.00 -1.01 0.00 0.00 57.07 55.01 1xpw s TYR 113 Cb 0.10 -1.50 0.06 0.00 -0.11 0.00 0.00 41.96 40.50 1xpw s TYR 113 CO 0.83 -0.52 0.02 -1.17 -1.11 0.00 0.00 175.55 173.59 1xpw s LEU 114 N 1.03 4.02 -0.33 -1.29 1.98 0.26 -1.90 118.68 122.45 1xpw s LEU 114 Ca -0.05 -1.35 -0.09 0.00 -2.89 0.00 0.00 54.13 49.75 1xpw s LEU 114 Cb -0.15 -1.72 0.02 0.00 0.66 0.00 0.00 46.19 45.00 1xpw s LEU 114 CO -0.03 -0.28 0.14 -0.60 -1.89 0.00 0.00 176.35 173.69 1xpw s ARG 115 N 1.24 3.00 -0.04 1.98 3.52 0.42 -0.33 118.95 128.74 1xpw s ARG 115 Ca -0.04 -0.94 -0.19 0.00 -0.13 0.00 0.00 55.73 54.44 1xpw s ARG 115 Cb -0.20 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.60 1xpw s ARG 115 CO -0.01 -0.55 0.52 -0.06 -0.81 0.00 0.00 175.30 174.38 1xpw s PHE 116 N 1.53 3.64 -0.25 5.12 0.08 -0.22 -0.40 117.98 127.48 1xpw s PHE 116 Ca 0.02 1.05 -0.01 0.00 0.12 0.00 0.00 56.93 58.12 1xpw s PHE 116 Cb -0.18 -2.52 0.07 0.00 -0.57 0.00 0.00 43.02 39.82 1xpw s PHE 116 CO 0.05 0.35 0.03 0.42 -0.10 0.00 0.00 175.22 175.97 1xpw s ILE 117 N -0.10 0.99 -0.64 0.64 1.01 -0.03 -1.23 121.20 121.83 1xpw s ILE 117 Ca 0.28 -1.08 -0.23 0.00 0.00 0.00 0.00 60.65 59.62 1xpw s ILE 117 Cb -0.17 -1.51 0.06 0.00 0.01 0.00 0.00 42.46 40.85 1xpw s ILE 117 CO 0.14 -0.34 0.97 -0.63 0.00 0.00 0.00 174.94 175.08 1xpw s ILE 118 N 1.61 4.31 0.00 2.92 1.01 0.51 -0.82 121.20 130.75 1xpw s ILE 118 Ca 0.02 -0.21 -0.25 0.00 0.00 0.00 0.00 60.65 60.21 1xpw s ILE 118 Cb -0.18 -4.67 -0.19 0.00 0.01 0.00 0.00 42.46 37.44 1xpw s ILE 118 CO -0.13 -1.41 1.36 0.58 0.00 0.00 0.00 174.94 175.34 1xpw h VAL 119 N 5.98 1.31 -3.44 2.92 2.07 -1.03 0.67 116.25 124.74 1xpw h VAL 119 Ca -0.28 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1xpw h VAL 119 Cb 1.07 1.92 -0.08 0.00 -1.52 0.00 0.00 31.29 32.68 1xpw h VAL 119 CO 1.17 0.24 -0.01 -0.55 0.02 0.00 0.00 177.57 178.44 1xpw s SER 120 N -5.61 -0.15 0.15 0.57 0.15 -1.25 -4.27 113.70 103.29 1xpw s SER 120 Ca -0.15 -0.78 0.02 0.00 0.70 0.00 0.00 55.95 55.73 1xpw s SER 120 Cb 0.03 0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 64.91 1xpw s SER 120 CO 0.67 -1.18 -0.02 0.00 1.20 0.00 0.00 173.24 173.92 1xpw s ALA 121 N -3.97 1.22 0.33 5.45 0.00 -1.26 -1.85 121.76 121.67 1xpw s ALA 121 Ca 0.18 -1.51 0.04 0.00 0.00 0.00 0.00 51.96 50.66 1xpw s ALA 121 Cb -0.02 0.45 0.58 0.00 0.00 0.00 0.00 23.12 24.13 1xpw s ALA 121 CO 0.07 -0.30 1.86 0.74 0.00 0.00 0.00 175.76 178.12 1xpw h PHE 122 N 2.78 0.54 -1.42 0.00 0.04 -1.55 -3.43 116.94 113.90 1xpw h PHE 122 Ca -0.36 -0.06 -0.49 0.00 2.80 0.00 0.00 57.97 59.86 1xpw h PHE 122 Cb 1.19 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 39.16 1xpw h PHE 122 CO 0.55 0.55 -0.35 0.34 -0.60 0.00 0.00 178.31 178.80 1xpw s ASP 123 N -6.74 5.11 0.28 2.17 -1.08 -1.26 -5.01 116.67 110.12 1xpw s ASP 123 Ca -0.08 -0.74 0.25 0.00 -0.52 0.00 0.00 52.55 51.47 1xpw s ASP 123 Cb 0.15 -0.49 0.68 0.00 -1.46 0.00 0.00 42.92 41.80 1xpw s ASP 123 CO 0.77 -0.72 1.73 -0.74 0.52 0.00 0.00 175.17 176.72 1xpw h HIS 124 N 0.93 0.00 -3.18 -5.34 -0.00 -2.01 -3.43 115.15 102.12 1xpw h HIS 124 Ca -0.40 0.00 -0.67 0.00 -0.00 0.00 0.00 60.37 59.30 1xpw h HIS 124 Cb 1.27 0.00 -0.33 0.00 -0.00 0.00 0.00 27.41 28.35 1xpw h HIS 124 CO 0.52 0.00 -0.83 -0.06 -0.00 0.00 0.00 177.93 177.56 1xpw s PHE 125 N -3.13 2.77 0.08 5.26 0.08 -1.26 -4.61 117.98 117.18 1xpw s PHE 125 Ca 0.10 -1.36 0.07 0.00 0.12 0.00 0.00 56.93 55.86 1xpw s PHE 125 Cb 0.10 -1.91 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 1xpw s PHE 125 CO 0.62 -0.66 -0.14 0.00 -0.10 0.00 0.00 175.22 174.93 1xpw s ALA 126 N 1.09 2.78 -0.03 5.36 0.00 -1.26 -4.82 121.76 124.87 1xpw s ALA 126 Ca -0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 1xpw s ALA 126 Cb -0.14 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1xpw s ALA 126 CO -0.06 0.61 0.07 -1.12 0.00 0.00 0.00 175.76 175.25 1xpw s SER 127 N -1.90 -0.02 0.09 0.00 0.01 -1.23 -0.99 113.70 109.65 1xpw s SER 127 Ca 0.18 0.13 0.07 0.00 1.31 0.00 0.00 55.95 57.64 1xpw s SER 127 Cb -0.11 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.15 1xpw s SER 127 CO 0.10 -0.09 -0.12 0.54 0.41 0.00 0.00 173.24 174.08 1xpw s VAL 128 N 0.71 3.27 -0.19 3.43 0.11 0.48 -0.98 120.40 127.23 1xpw s VAL 128 Ca -0.06 -1.24 -0.05 0.00 -2.93 0.00 0.00 61.98 57.70 1xpw s VAL 128 Cb -0.08 -2.50 -0.10 0.00 -1.53 0.00 0.00 36.38 32.18 1xpw s VAL 128 CO -0.03 0.16 -0.21 1.57 -3.33 0.00 0.00 175.10 173.26 1xpw n HIS 129 N 0.89 0.00 -3.58 1.54 -0.00 0.30 -1.17 115.22 113.20 1xpw n HIS 129 Ca -0.14 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 57.96 1xpw n HIS 129 Cb 0.52 -0.68 -0.04 0.00 -0.12 0.00 0.00 29.99 29.67 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 -6.34 -0.28 0.03 0.26 0.15 -1.17 -4.31 113.70 102.04 1xpw s SER 130 Ca -0.26 0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.66 1xpw s SER 130 Cb 0.09 0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.63 1xpw s SER 130 CO 0.36 -0.32 -0.10 0.68 1.20 0.00 0.00 173.24 175.07 1xpw s VAL 131 N -1.54 0.73 0.02 4.45 -7.23 -1.26 -1.75 120.40 113.82 1xpw s VAL 131 Ca 0.02 -0.90 0.02 0.00 -1.81 0.00 0.00 61.98 59.31 1xpw s VAL 131 Cb -0.01 -0.72 -0.01 0.00 0.56 0.00 0.00 36.38 36.20 1xpw s VAL 131 CO -0.02 -0.15 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.11 1xpw s SER 132 N -1.17 0.67 -0.28 4.85 0.01 -0.26 -4.71 113.70 112.81 1xpw s SER 132 Ca -0.03 -0.32 -0.07 0.00 1.31 0.00 0.00 55.95 56.84 1xpw s SER 132 Cb -0.08 -0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 1xpw s SER 132 CO 0.01 -0.08 0.08 0.00 0.41 0.00 0.00 173.24 173.65 1xpw s ALA 133 N -0.75 3.11 -0.07 1.44 0.00 -1.26 -0.38 121.76 123.84 1xpw s ALA 133 Ca -0.04 -1.31 -0.15 0.00 0.00 0.00 0.00 51.96 50.46 1xpw s ALA 133 Cb -0.06 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 1xpw s ALA 133 CO 0.00 -0.73 0.39 -1.21 0.00 0.00 0.00 175.76 174.21 1xpw s GLU 134 N 1.56 4.07 0.00 0.00 2.02 0.43 -1.37 118.70 125.41 1xpw s GLU 134 Ca 0.04 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.36 1xpw s GLU 134 Cb -0.16 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.75 1xpw s GLU 134 CO 0.03 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.18 1xpw n GLY 135 N 2.54 -0.56 2.90 -1.39 0.00 -1.20 -0.21 105.19 107.27 1xpw n GLY 135 Ca -0.12 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 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 0.15 -0.04 2.61 -4.23 -0.85 -3.14 115.64 106.15 1xpw s THR 136 Ca 0.00 -0.08 -0.30 0.00 -1.18 0.00 0.00 61.69 60.14 1xpw s THR 136 Cb 0.00 -0.14 -0.06 0.00 1.34 0.00 0.00 72.50 73.64 1xpw s THR 136 CO 0.00 0.05 1.64 0.54 -0.54 0.00 0.00 174.62 176.31 1xpw s VAL 137 N 0.00 3.55 -0.11 2.29 0.11 -1.26 -0.39 120.40 124.59 1xpw s VAL 137 Ca 0.00 0.71 -0.24 0.00 -2.93 0.00 0.00 61.98 59.53 1xpw s VAL 137 Cb -0.01 -3.46 -0.21 0.00 -1.53 0.00 0.00 36.38 31.17 1xpw s VAL 137 CO -0.00 -0.05 0.74 0.58 -3.33 0.00 0.00 175.10 173.03 1xpw h VAL 138 N 5.47 1.40 -2.64 2.04 2.07 -1.00 -3.47 116.25 120.13 1xpw h VAL 138 Ca -0.39 -1.88 0.08 0.00 0.82 0.00 0.00 66.70 65.33 1xpw h VAL 138 Cb 1.18 2.56 -0.11 0.00 -1.52 0.00 0.00 31.29 33.40 1xpw h VAL 138 CO 0.95 0.44 0.36 -0.94 0.02 0.00 0.00 177.57 178.40 1xpw s SER 139 N -5.98 -0.36 0.00 0.57 1.04 -0.94 -5.04 113.70 102.99 1xpw s SER 139 Ca -0.15 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1xpw s SER 139 Cb -0.02 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1xpw s SER 139 CO 0.57 -0.93 0.00 -3.20 0.98 0.00 0.00 173.24 170.66 1xpw n ASN 140 N -0.38 0.00 -4.56 7.02 2.85 -1.26 -0.89 115.26 118.04 1xpw n ASN 140 Ca -0.10 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.10 1xpw n ASN 140 Cb 0.62 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.59 1xpw n ASN 140 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1xpw s LEU 141 N 0.00 3.17 -0.88 1.20 2.01 -1.26 -4.31 118.68 118.60 1xpw s LEU 141 Ca 0.00 -0.41 -0.24 0.00 0.01 0.00 0.00 54.13 53.50 1xpw s LEU 141 Cb 0.00 -2.55 0.06 0.00 0.01 0.00 0.00 46.19 43.70 1xpw s LEU 141 CO 0.00 -2.77 1.31 -0.44 1.01 0.00 0.00 176.35 175.46 1xpw s SER 142 N 8.34 6.38 0.00 2.29 0.01 -1.26 -5.17 113.70 124.29 1xpw s SER 142 Ca 0.72 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1xpw s SER 142 Cb -0.08 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1xpw s SER 142 CO 0.04 -1.55 0.00 -1.54 0.41 0.00 0.00 173.24 170.60