#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 -0.25 -3.30 3.17 1.74 -1.26 -4.97 116.66 111.79 1xpw n ARG 2 Ca 0.00 0.16 -0.09 0.00 -0.77 0.00 0.00 57.85 57.15 1xpw n ARG 2 Cb 0.00 -0.30 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 1xpw n ARG 2 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1xpw n LYS 3 N -2.04 -1.47 -4.05 5.56 5.02 -0.72 -4.92 118.16 115.54 1xpw n LYS 3 Ca 0.00 1.29 -0.22 0.00 -2.02 0.00 0.00 58.31 57.36 1xpw n LYS 3 Cb 0.06 -4.54 -0.04 0.00 -0.02 0.00 0.00 35.03 30.49 1xpw n LYS 3 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1xpw s ILE 4 N -2.93 4.82 -0.92 -0.18 2.07 0.13 -4.63 121.20 119.54 1xpw s ILE 4 Ca 0.02 -1.16 -0.24 0.00 -1.41 0.00 0.00 60.65 57.87 1xpw s ILE 4 Cb -0.00 -3.58 -0.03 0.00 0.13 0.00 0.00 42.46 38.97 1xpw s ILE 4 CO 0.80 -0.29 1.87 -1.81 -1.91 0.00 0.00 174.94 173.60 1xpw s ASP 5 N -3.75 5.36 0.08 4.50 1.01 -1.26 -3.58 116.67 119.04 1xpw s ASP 5 Ca 0.33 -0.81 0.26 0.00 0.71 0.00 0.00 52.55 53.04 1xpw s ASP 5 Cb -0.09 -2.56 1.02 0.00 1.01 0.00 0.00 42.92 42.31 1xpw s ASP 5 CO 0.26 -2.55 1.81 0.18 0.21 0.00 0.00 175.17 175.09 1xpw n LEU 6 N 13.15 0.28 -0.36 1.23 4.77 -0.86 -3.69 117.00 131.53 1xpw n LEU 6 Ca 0.39 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 57.03 1xpw n LEU 6 Cb 0.48 -0.45 0.31 0.00 -2.33 0.00 0.00 43.42 41.43 1xpw n LEU 6 CO 0.61 -0.12 0.62 0.00 -1.33 0.00 0.00 177.39 177.17 1xpw s LEU 8 N -2.41 3.91 0.47 0.00 1.02 -1.24 -4.62 118.68 115.81 1xpw s LEU 8 Ca 0.25 0.69 0.27 0.00 0.02 0.00 0.00 54.13 55.36 1xpw s LEU 8 Cb 0.19 -3.57 0.86 0.00 0.02 0.00 0.00 46.19 43.69 1xpw s LEU 8 CO 0.49 -0.35 1.79 -1.28 0.02 0.00 0.00 176.35 177.03 1xpw h SER 9 N 0.88 0.00 0.27 2.29 0.87 -0.74 -1.22 113.55 115.89 1xpw h SER 9 Ca -0.48 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.06 1xpw h SER 9 Cb 1.21 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1xpw h SER 9 CO 0.63 0.09 -0.08 0.28 -0.53 0.00 0.00 176.83 177.22 1xpw h SER 10 N 0.00 0.00 -0.57 6.23 0.02 -1.86 0.94 113.55 118.31 1xpw h SER 10 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xpw h SER 10 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1xpw h SER 10 CO 0.01 0.08 0.00 -0.62 -1.14 0.00 0.00 176.83 175.16 1xpw n GLU 11 N -3.65 2.60 -1.86 3.45 -0.58 -0.77 -4.94 120.64 114.88 1xpw n GLU 11 Ca -0.02 -2.45 0.00 0.00 -0.42 0.00 0.00 57.16 54.27 1xpw n GLU 11 Cb 0.19 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 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 1.59 0.55 3.13 0.62 0.00 0.32 -4.98 105.19 106.43 1xpw n GLY 12 Ca 0.22 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.91 3.84 0.50 1.61 0.01 -0.53 -4.48 113.70 111.73 1xpw s SER 13 Ca 0.00 -0.90 0.06 0.00 1.31 0.00 0.00 55.95 56.42 1xpw s SER 13 Cb 0.00 -1.56 0.02 0.00 0.21 0.00 0.00 66.02 64.69 1xpw s SER 13 CO 0.00 -0.09 0.39 -1.61 0.41 0.00 0.00 173.24 172.35 1xpw s GLU 14 N 1.25 2.32 0.06 12.44 8.01 -0.75 -2.34 118.70 139.70 1xpw s GLU 14 Ca -0.00 -1.86 0.05 0.00 0.01 0.00 0.00 54.97 53.17 1xpw s GLU 14 Cb -0.16 -2.18 -0.04 0.00 -4.31 0.00 0.00 34.13 27.44 1xpw s GLU 14 CO -0.08 -0.47 -0.07 0.14 0.01 0.00 0.00 175.26 174.79 1xpw s VAL 15 N -2.67 3.56 0.12 2.63 -7.23 -1.26 -0.40 120.40 115.15 1xpw s VAL 15 Ca 0.40 -1.03 -0.06 0.00 -1.81 0.00 0.00 61.98 59.47 1xpw s VAL 15 Cb -0.02 -2.62 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 1xpw s VAL 15 CO 0.24 0.23 0.18 -0.51 -0.31 0.00 0.00 175.10 174.92 1xpw s ILE 16 N -1.14 0.11 -1.30 -0.62 2.07 0.52 -4.93 121.20 115.92 1xpw s ILE 16 Ca 0.20 -1.48 0.00 0.00 -1.41 0.00 0.00 60.65 57.97 1xpw s ILE 16 Cb -0.11 -1.70 0.00 0.00 0.13 0.00 0.00 42.46 40.77 1xpw s ILE 16 CO 0.12 -0.51 0.00 -0.11 -1.91 0.00 0.00 174.94 172.53 1xpw n LEU 17 N -0.11 -1.26 -4.58 8.50 7.94 -1.26 -0.40 117.00 125.81 1xpw n LEU 17 Ca -0.10 0.18 -0.41 0.00 -1.11 0.00 0.00 56.01 54.56 1xpw n LEU 17 Cb 0.63 -2.04 -0.03 0.00 0.53 0.00 0.00 43.42 42.51 1xpw n LEU 17 CO 0.25 -0.45 1.58 0.00 -1.11 0.00 0.00 177.39 177.67 1xpw s ALA 18 N -2.58 2.60 0.11 1.96 0.00 -1.26 -4.17 121.76 118.42 1xpw s ALA 18 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.69 1xpw s ALA 18 Cb 0.00 -4.11 -0.08 0.00 0.00 0.00 0.00 23.12 18.92 1xpw s ALA 18 CO 0.00 -3.09 1.66 1.15 0.00 0.00 0.00 175.76 175.48 1xpw h THR 19 N 6.88 0.56 -3.52 0.00 2.02 -1.78 -3.34 112.91 113.72 1xpw h THR 19 Ca -0.31 0.00 -0.71 0.00 0.77 0.00 0.00 66.41 66.16 1xpw h THR 19 Cb 1.17 0.56 -0.30 0.00 -1.74 0.00 0.00 68.15 67.85 1xpw h THR 19 CO 1.09 0.00 -0.52 -0.55 0.37 0.00 0.00 175.52 175.91 1xpw s SER 20 N -4.91 5.47 -0.16 4.18 0.15 -1.26 -5.05 113.70 112.11 1xpw s SER 20 Ca -0.15 -1.52 0.00 0.00 0.70 0.00 0.00 55.95 54.98 1xpw s SER 20 Cb 0.08 -1.92 0.03 0.00 -1.71 0.00 0.00 66.02 62.50 1xpw s SER 20 CO 0.66 -0.49 -0.12 -0.55 1.20 0.00 0.00 173.24 173.95 1xpw s SER 21 N 1.89 2.90 0.12 5.45 0.15 -1.26 -4.84 113.70 118.12 1xpw s SER 21 Ca 0.03 -0.62 -0.09 0.00 0.70 0.00 0.00 55.95 55.96 1xpw s SER 21 Cb -0.22 -1.15 -0.06 0.00 -1.71 0.00 0.00 66.02 62.87 1xpw s SER 21 CO 0.01 -0.10 0.43 -0.62 1.20 0.00 0.00 173.24 174.16 1xpw s ASP 22 N 1.48 6.62 0.07 5.45 -1.08 -1.25 -5.00 116.67 122.96 1xpw s ASP 22 Ca 0.03 0.80 0.20 0.00 -0.52 0.00 0.00 52.55 53.05 1xpw s ASP 22 Cb -0.14 -2.18 -0.14 0.00 -1.46 0.00 0.00 42.92 39.00 1xpw s ASP 22 CO -0.09 0.10 0.76 -0.62 0.52 0.00 0.00 175.17 175.84 1xpw n GLU 23 N 0.56 0.63 -0.01 4.34 1.02 -1.26 -3.49 120.64 122.44 1xpw n GLU 23 Ca -0.05 0.08 0.09 0.00 -0.02 0.00 0.00 57.16 57.26 1xpw n GLU 23 Cb 0.52 -1.73 -0.14 0.00 -0.02 0.00 0.00 31.44 30.07 1xpw n GLU 23 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xpw n LYS 24 N -2.67 0.63 -3.42 3.49 5.02 -1.26 -4.39 118.16 115.56 1xpw n LYS 24 Ca -0.07 -0.15 -0.35 0.00 -2.02 0.00 0.00 58.31 55.72 1xpw n LYS 24 Cb 0.71 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 34.23 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 -2.05 3.55 -2.55 2.13 8.25 -1.26 -5.08 115.22 118.21 1xpw n HIS 25 Ca -0.02 -3.76 -0.42 0.00 -0.26 0.00 0.00 57.72 53.25 1xpw n HIS 25 Cb 0.46 -0.98 -0.03 0.00 1.12 0.00 0.00 29.99 30.56 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 -2.07 4.41 0.43 -0.41 0.04 -1.23 -3.88 135.00 132.29 1xpw s PRO 26 Ca 0.32 1.57 0.24 0.00 0.04 0.00 0.00 61.00 63.17 1xpw s PRO 26 Cb 0.03 -3.52 1.32 0.00 0.04 0.00 0.00 34.50 32.37 1xpw s PRO 26 CO -0.04 -0.34 1.72 -1.35 0.04 0.00 0.00 177.00 177.03 1xpw h PRO 27 N 7.19 0.00 -0.02 0.56 0.11 -1.92 -0.57 132.00 137.36 1xpw h PRO 27 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1xpw h PRO 27 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xpw h PRO 27 CO 0.85 0.00 0.03 0.93 -0.21 0.00 0.00 178.00 179.60 1xpw h GLU 28 N 0.00 0.00 0.00 1.05 3.07 -1.94 -1.18 114.58 115.58 1xpw h GLU 28 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1xpw h GLU 28 Cb 0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1xpw h GLU 28 CO 0.00 0.00 -0.23 -2.95 -1.40 0.00 0.00 179.01 174.43 1xpw h ASN 29 N 0.00 0.00 -0.79 1.42 7.08 -1.49 -2.57 115.58 119.23 1xpw h ASN 29 Ca 0.01 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.19 1xpw h ASN 29 Cb 0.07 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 36.28 1xpw h ASN 29 CO -0.00 0.23 0.35 0.40 -2.08 0.00 0.00 177.43 176.33 1xpw h ILE 30 N 0.00 1.25 -0.61 6.14 2.04 -1.42 -0.22 117.51 124.69 1xpw h ILE 30 Ca -0.00 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1xpw h ILE 30 Cb 0.49 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1xpw h ILE 30 CO 0.03 0.31 0.00 2.30 0.00 0.00 0.00 178.15 180.79 1xpw n ILE 31 N -4.30 1.05 -0.06 -0.67 -5.35 -1.07 -4.34 119.36 104.63 1xpw n ILE 31 Ca 0.08 -0.89 -0.08 0.00 -0.27 0.00 0.00 62.75 61.58 1xpw n ILE 31 Cb 0.16 0.32 -0.03 0.00 -1.74 0.00 0.00 39.64 38.35 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 1.23 1.71 -0.00 7.28 2.03 -0.51 -1.18 116.55 127.11 1xpw n ASP 32 Ca 0.21 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.80 1xpw n ASP 32 Cb 0.60 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 1.94 1.82 3.64 0.27 0.00 -0.21 -4.99 105.19 107.66 1xpw n GLY 33 Ca -0.14 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.04 6.23 0.49 1.61 0.01 -1.26 -4.98 114.94 114.99 1xpw s ASN 34 Ca 0.00 0.25 0.16 0.00 -0.71 0.00 0.00 52.86 52.57 1xpw s ASN 34 Cb 0.00 -2.17 1.19 0.00 0.41 0.00 0.00 41.25 40.68 1xpw s ASN 34 CO 0.00 -0.06 2.07 -0.65 -1.51 0.00 0.00 177.10 176.95 1xpw h PRO 35 N 7.80 0.16 0.00 -0.60 0.11 -1.96 -1.50 132.00 136.01 1xpw h PRO 35 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1xpw h PRO 35 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1xpw h PRO 35 CO 0.65 0.10 0.00 0.93 -0.21 0.00 0.00 178.00 179.48 1xpw h GLU 36 N 0.16 0.00 -6.60 1.05 4.39 -2.00 -3.42 114.58 108.16 1xpw h GLU 36 Ca 0.13 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.15 1xpw h GLU 36 Cb 0.32 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 28.76 1xpw h GLU 36 CO -0.02 0.00 -0.79 0.95 -1.16 0.00 0.00 179.01 177.99 1xpw s THR 37 N -3.47 2.88 0.14 1.13 -4.23 -0.57 -5.13 115.64 106.40 1xpw s THR 37 Ca 0.02 -1.25 -0.16 0.00 -1.18 0.00 0.00 61.69 59.12 1xpw s THR 37 Cb 0.09 -2.25 0.03 0.00 1.34 0.00 0.00 72.50 71.71 1xpw s THR 37 CO 0.42 0.26 0.43 0.72 -0.54 0.00 0.00 174.62 175.92 1xpw s PHE 38 N -1.00 -0.18 -0.27 3.99 -0.71 -1.26 -4.76 117.98 113.79 1xpw s PHE 38 Ca 0.16 -0.14 -0.11 0.00 -1.04 0.00 0.00 56.93 55.80 1xpw s PHE 38 Cb -0.11 0.29 -0.05 0.00 -1.21 0.00 0.00 43.02 41.94 1xpw s PHE 38 CO 0.07 -0.76 0.18 -0.46 -1.34 0.00 0.00 175.22 172.91 1xpw s TRP 39 N -3.82 3.25 0.07 3.49 -0.00 -0.86 -4.72 118.94 116.35 1xpw s TRP 39 Ca 0.05 0.15 0.08 0.00 -0.00 0.00 0.00 56.10 56.37 1xpw s TRP 39 Cb 0.01 -2.34 -0.03 0.00 -0.00 0.00 0.00 33.47 31.11 1xpw s TRP 39 CO -0.10 -0.09 -0.20 -0.08 -0.00 0.00 0.00 176.95 176.48 1xpw s THR 40 N 1.54 1.64 0.40 5.86 -1.32 -1.26 -1.02 115.64 121.47 1xpw s THR 40 Ca 0.07 -1.37 -0.24 0.00 -1.21 0.00 0.00 61.69 58.95 1xpw s THR 40 Cb -0.15 -1.47 -0.09 0.00 -1.51 0.00 0.00 72.50 69.28 1xpw s THR 40 CO 0.09 0.04 1.02 0.42 -2.21 0.00 0.00 174.62 173.98 1xpw s THR 41 N -1.00 3.91 -2.28 5.08 -4.23 -0.71 -4.83 115.64 111.57 1xpw s THR 41 Ca 0.06 1.42 0.22 0.00 -1.18 0.00 0.00 61.69 62.21 1xpw s THR 41 Cb -0.09 -3.71 0.49 0.00 1.34 0.00 0.00 72.50 70.53 1xpw s THR 41 CO 0.03 -0.03 1.61 0.35 -0.54 0.00 0.00 174.62 176.04 1xpw n THR 42 N -0.11 0.15 0.00 3.99 -2.24 -1.26 -4.72 114.28 110.09 1xpw n THR 42 Ca 0.05 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1xpw n THR 42 Cb 0.50 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 1.10 0.98 3.12 3.38 0.00 -1.26 -5.10 105.19 107.40 1xpw n GLY 43 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 0.04 2.26 -0.18 1.61 1.00 -1.26 -5.07 119.30 117.71 1xpw s MET 44 Ca 0.00 -2.11 -0.05 0.00 0.00 0.00 0.00 55.69 53.53 1xpw s MET 44 Cb 0.00 -3.67 -0.03 0.00 0.00 0.00 0.00 34.83 31.13 1xpw s MET 44 CO 0.00 -1.12 0.01 -0.06 0.00 0.00 0.00 175.02 173.85 1xpw s PHE 45 N 0.67 3.11 0.76 -0.03 0.08 -1.26 -2.69 117.98 118.61 1xpw s PHE 45 Ca 0.12 -0.20 -0.11 0.00 0.12 0.00 0.00 56.93 56.85 1xpw s PHE 45 Cb -0.22 -2.03 0.05 0.00 -0.57 0.00 0.00 43.02 40.24 1xpw s PHE 45 CO -0.04 -0.02 1.09 -2.14 -0.10 0.00 0.00 175.22 174.02 1xpw s PRO 46 N 0.52 2.42 -0.24 0.24 0.02 -1.26 -5.11 135.00 131.58 1xpw s PRO 46 Ca -0.00 0.61 0.00 0.00 0.02 0.00 0.00 61.00 61.63 1xpw s PRO 46 Cb -0.14 -1.96 0.04 0.00 0.02 0.00 0.00 34.50 32.46 1xpw s PRO 46 CO 0.02 -1.38 -0.10 1.14 -0.33 0.00 0.00 177.00 176.35 1xpw s GLN 47 N -5.21 2.61 0.15 5.54 -2.07 -0.27 -4.97 119.66 115.43 1xpw s GLN 47 Ca 0.60 -1.11 0.09 0.00 -1.82 0.00 0.00 55.36 53.11 1xpw s GLN 47 Cb -0.13 -2.89 -0.04 0.00 -1.09 0.00 0.00 33.01 28.86 1xpw s GLN 47 CO 0.53 -0.45 -0.19 -1.83 -1.32 0.00 0.00 175.29 172.04 1xpw s GLU 48 N 1.23 1.24 0.06 9.60 -1.05 -1.26 -0.42 118.70 128.11 1xpw s GLU 48 Ca -0.03 -1.34 -0.26 0.00 -0.15 0.00 0.00 54.97 53.19 1xpw s GLU 48 Cb -0.17 -1.37 0.07 0.00 -0.44 0.00 0.00 34.13 32.21 1xpw s GLU 48 CO -0.06 0.29 0.63 -0.59 0.95 0.00 0.00 175.26 176.48 1xpw s PHE 49 N -1.76 -0.59 -0.05 4.83 -0.71 -0.90 -2.15 117.98 116.66 1xpw s PHE 49 Ca 0.13 0.68 0.03 0.00 -1.04 0.00 0.00 56.93 56.73 1xpw s PHE 49 Cb -0.07 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.20 1xpw s PHE 49 CO 0.06 -0.74 -0.12 0.42 -1.34 0.00 0.00 175.22 173.50 1xpw s ILE 50 N -2.58 3.23 -0.25 -4.49 1.01 0.46 -0.77 121.20 117.80 1xpw s ILE 50 Ca -0.04 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 1xpw s ILE 50 Cb -0.01 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 1xpw s ILE 50 CO -0.03 0.58 0.03 -0.63 0.00 0.00 0.00 174.94 174.89 1xpw s ILE 51 N -0.77 3.82 -0.44 2.92 1.01 0.49 -0.35 121.20 127.87 1xpw s ILE 51 Ca 0.12 -0.46 -0.19 0.00 0.00 0.00 0.00 60.65 60.11 1xpw s ILE 51 Cb -0.11 -2.83 0.03 0.00 0.01 0.00 0.00 42.46 39.56 1xpw s ILE 51 CO 0.01 0.29 0.57 0.00 0.00 0.00 0.00 174.94 175.82 1xpw h PHE 53 N 8.85 0.00 -0.22 0.00 0.04 -1.39 -2.00 116.94 122.23 1xpw h PHE 53 Ca -0.26 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.42 1xpw h PHE 53 Cb 1.10 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.21 1xpw h PHE 53 CO 0.69 0.58 -0.08 0.72 -0.60 0.00 0.00 178.31 179.62 1xpw n HIS 54 N -3.71 0.00 -3.63 -0.55 8.25 -1.24 -4.44 115.22 109.90 1xpw n HIS 54 Ca -0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 1xpw n HIS 54 Cb 0.61 -1.77 -0.03 0.00 1.12 0.00 0.00 29.99 29.92 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 -1.97 1.41 -0.50 -0.41 -2.85 -1.26 -4.35 119.74 109.80 1xpw s LYS 55 Ca 0.00 -0.72 -0.23 0.00 -1.00 0.00 0.00 55.97 54.02 1xpw s LYS 55 Cb 0.00 0.57 0.04 0.00 -2.06 0.00 0.00 37.83 36.37 1xpw s LYS 55 CO 0.00 -0.62 0.84 -1.01 0.10 0.00 0.00 175.35 174.66 1xpw s HIS 56 N -3.83 2.91 0.10 1.78 3.76 -1.14 -4.30 115.29 114.58 1xpw s HIS 56 Ca 0.06 -0.01 0.08 0.00 -0.15 0.00 0.00 55.06 55.03 1xpw s HIS 56 Cb -0.02 -3.84 -0.04 0.00 1.11 0.00 0.00 32.58 29.80 1xpw s HIS 56 CO -0.05 -1.16 -0.14 0.14 -0.85 0.00 0.00 174.74 172.68 1xpw s VAL 57 N 3.50 3.10 -0.42 -0.90 -7.23 -1.12 -0.34 120.40 116.99 1xpw s VAL 57 Ca 0.28 -1.36 -0.13 0.00 -1.81 0.00 0.00 61.98 58.96 1xpw s VAL 57 Cb -0.13 -2.43 0.05 0.00 0.56 0.00 0.00 36.38 34.43 1xpw s VAL 57 CO 0.20 0.13 0.31 -0.60 -0.31 0.00 0.00 175.10 174.82 1xpw s ARG 58 N -2.10 2.89 -0.15 4.82 3.00 0.19 -2.40 118.95 125.20 1xpw s ARG 58 Ca 0.19 -1.20 -0.19 0.00 -1.00 0.00 0.00 55.73 53.53 1xpw s ARG 58 Cb -0.11 -3.95 -0.04 0.00 0.00 0.00 0.00 34.95 30.86 1xpw s ARG 58 CO 0.11 -0.86 0.53 0.42 0.00 0.00 0.00 175.30 175.50 1xpw s ILE 59 N 1.60 5.13 -0.09 4.11 1.01 0.51 -2.11 121.20 131.37 1xpw s ILE 59 Ca 0.04 1.03 0.09 0.00 0.00 0.00 0.00 60.65 61.81 1xpw s ILE 59 Cb -0.21 -3.86 -0.13 0.00 0.01 0.00 0.00 42.46 38.27 1xpw s ILE 59 CO 0.07 0.25 0.06 -0.62 0.00 0.00 0.00 174.94 174.70 1xpw n GLU 60 N 4.18 2.08 -3.89 2.79 1.02 0.61 -1.18 120.64 126.25 1xpw n GLU 60 Ca -0.05 -0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 56.97 1xpw n GLU 60 Cb 0.51 -1.25 -0.09 0.00 -0.02 0.00 0.00 31.44 30.59 1xpw n GLU 60 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1xpw s ARG 61 N -2.31 0.63 -0.24 3.49 0.52 -0.69 -2.58 118.95 117.77 1xpw s ARG 61 Ca -0.05 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.46 1xpw s ARG 61 Cb 0.03 0.25 0.04 0.00 0.52 0.00 0.00 34.95 35.80 1xpw s ARG 61 CO 0.41 -0.17 -0.12 -0.51 0.02 0.00 0.00 175.30 174.93 1xpw s LEU 62 N -2.12 3.05 -0.45 2.53 1.02 0.51 -0.39 118.68 122.83 1xpw s LEU 62 Ca -0.05 -1.06 -0.17 0.00 0.02 0.00 0.00 54.13 52.87 1xpw s LEU 62 Cb -0.01 -1.57 0.04 0.00 0.02 0.00 0.00 46.19 44.68 1xpw s LEU 62 CO -0.04 -0.13 0.44 -0.69 0.02 0.00 0.00 176.35 175.94 1xpw s VAL 63 N 1.21 5.13 -0.20 -1.59 1.01 0.48 -1.08 120.40 125.35 1xpw s VAL 63 Ca -0.03 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1xpw s VAL 63 Cb -0.17 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.13 1xpw s VAL 63 CO -0.07 -0.53 -0.17 -0.63 0.00 0.00 0.00 175.10 173.71 1xpw s ILE 64 N 1.99 2.23 -0.38 2.22 1.01 -0.65 -1.17 121.20 126.45 1xpw s ILE 64 Ca 0.09 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 1xpw s ILE 64 Cb -0.20 -2.01 0.10 0.00 0.01 0.00 0.00 42.46 40.35 1xpw s ILE 64 CO 0.10 0.43 0.16 -1.58 0.00 0.00 0.00 174.94 174.05 1xpw s GLN 65 N 1.28 2.08 0.22 2.79 0.74 0.49 -0.44 119.66 126.81 1xpw s GLN 65 Ca 0.03 -1.70 -0.01 0.00 0.05 0.00 0.00 55.36 53.73 1xpw s GLN 65 Cb -0.14 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 1xpw s GLN 65 CO -0.11 -0.97 0.16 -1.12 -0.55 0.00 0.00 175.29 172.70 1xpw s SER 66 N 1.67 0.29 0.17 6.67 0.01 -1.25 -2.06 113.70 119.20 1xpw s SER 66 Ca 0.06 -1.41 0.10 0.00 1.31 0.00 0.00 55.95 56.01 1xpw s SER 66 Cb -0.22 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 66.38 1xpw s SER 66 CO -0.03 -0.88 -0.22 -0.31 0.41 0.00 0.00 173.24 172.21 1xpw s TYR 67 N -4.08 2.05 0.00 2.43 1.51 -0.61 -4.51 117.35 114.14 1xpw s TYR 67 Ca 0.38 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 56.04 1xpw s TYR 67 Cb 0.06 -1.04 0.00 0.00 -0.11 0.00 0.00 41.96 40.88 1xpw s TYR 67 CO 0.13 0.39 0.00 1.19 -1.11 0.00 0.00 175.55 176.16 1xpw n PHE 68 N 0.41 0.00 -1.65 2.71 3.72 -1.26 -3.54 117.46 117.85 1xpw n PHE 68 Ca -0.14 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.81 1xpw n PHE 68 Cb 0.56 -0.11 -0.03 0.00 -0.94 0.00 0.00 39.48 38.97 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 -1.08 1.18 0.00 -4.37 0.31 -1.26 -1.17 118.33 111.94 1xpw n VAL 69 Ca 0.00 -0.29 -0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1xpw n VAL 69 Cb 0.00 -1.30 -0.00 0.00 -0.91 0.00 0.00 33.84 31.62 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 1.65 0.03 -3.64 5.55 7.27 -1.05 -4.32 117.38 122.88 1xpw n GLN 70 Ca 0.11 0.01 -0.40 0.00 0.07 0.00 0.00 57.00 56.79 1xpw n GLN 70 Cb 0.31 -0.26 -0.11 0.00 2.41 0.00 0.00 30.24 32.59 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 -1.21 4.31 -0.43 1.69 -4.23 -0.40 -0.16 115.64 115.22 1xpw s THR 71 Ca -0.01 -1.04 -0.08 0.00 -1.18 0.00 0.00 61.69 59.37 1xpw s THR 71 Cb 0.00 -3.46 0.09 0.00 1.34 0.00 0.00 72.50 70.47 1xpw s THR 71 CO 0.02 -0.28 0.27 -0.22 -0.54 0.00 0.00 174.62 173.87 1xpw s LEU 72 N 1.49 5.26 -0.62 4.79 2.96 -0.14 -1.75 118.68 130.67 1xpw s LEU 72 Ca 0.01 -1.66 -0.21 0.00 -0.22 0.00 0.00 54.13 52.06 1xpw s LEU 72 Cb -0.20 -1.97 0.08 0.00 0.50 0.00 0.00 46.19 44.61 1xpw s LEU 72 CO 0.05 -0.57 0.83 -0.75 -1.32 0.00 0.00 176.35 174.59 1xpw s LYS 73 N 1.37 3.09 -0.32 1.98 2.20 0.44 -0.74 119.74 127.76 1xpw s LYS 73 Ca 0.04 -1.05 -0.18 0.00 -0.36 0.00 0.00 55.97 54.42 1xpw s LYS 73 Cb -0.24 -4.23 -0.01 0.00 -1.51 0.00 0.00 37.83 31.84 1xpw s LYS 73 CO 0.01 -1.65 0.52 0.42 -0.36 0.00 0.00 175.35 174.28 1xpw s ILE 74 N 3.35 5.03 0.01 5.43 1.01 -0.89 -0.51 121.20 134.62 1xpw s ILE 74 Ca 0.17 0.54 0.07 0.00 0.00 0.00 0.00 60.65 61.43 1xpw s ILE 74 Cb -0.20 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 1xpw s ILE 74 CO 0.09 -0.11 -0.20 -0.70 0.00 0.00 0.00 174.94 174.02 1xpw s GLU 75 N 2.38 2.13 0.18 2.79 2.12 -0.53 -0.86 118.70 126.92 1xpw s GLU 75 Ca 0.20 -0.93 0.10 0.00 0.36 0.00 0.00 54.97 54.70 1xpw s GLU 75 Cb -0.15 -2.17 -0.04 0.00 0.26 0.00 0.00 34.13 32.02 1xpw s GLU 75 CO 0.12 0.56 -0.21 -1.59 -0.54 0.00 0.00 175.26 173.60 1xpw s LYS 76 N -1.10 1.40 -0.01 4.30 -2.85 0.45 -0.39 119.74 121.55 1xpw s LYS 76 Ca 0.13 -1.48 -0.01 0.00 -1.00 0.00 0.00 55.97 53.61 1xpw s LYS 76 Cb -0.10 -1.59 0.00 0.00 -2.06 0.00 0.00 37.83 34.08 1xpw s LYS 76 CO 0.03 0.33 0.02 0.45 0.10 0.00 0.00 175.35 176.28 1xpw s SER 77 N -2.71 -0.01 -0.16 0.03 0.15 0.45 -0.38 113.70 111.08 1xpw s SER 77 Ca 0.19 0.01 0.15 0.00 0.70 0.00 0.00 55.95 56.99 1xpw s SER 77 Cb -0.07 0.06 0.35 0.00 -1.71 0.00 0.00 66.02 64.65 1xpw s SER 77 CO 0.08 -0.03 1.18 0.41 1.20 0.00 0.00 173.24 176.08 1xpw n THR 78 N 2.94 1.93 -1.53 6.45 -1.04 -1.26 -0.14 114.28 121.63 1xpw n THR 78 Ca -0.13 -2.65 -0.04 0.00 -2.04 0.00 0.00 64.05 59.19 1xpw n THR 78 Cb 0.59 -0.17 0.03 0.00 -1.82 0.00 0.00 70.33 68.96 1xpw n THR 78 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1xpw n SER 79 N -1.17 0.08 -0.00 8.00 2.88 -1.26 -4.76 113.62 117.38 1xpw n SER 79 Ca 0.17 -1.11 0.09 0.00 -1.33 0.00 0.00 58.87 56.69 1xpw n SER 79 Cb 0.69 -0.14 -0.13 0.00 -0.75 0.00 0.00 64.21 63.88 1xpw n SER 79 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1xpw n LYS 80 N -1.38 0.76 -4.50 -1.46 2.85 -1.26 -4.77 118.16 108.40 1xpw n LYS 80 Ca 0.03 -0.09 -0.26 0.00 -1.05 0.00 0.00 58.31 56.93 1xpw n LYS 80 Cb 0.09 -1.41 -0.10 0.00 -0.65 0.00 0.00 35.03 32.96 1xpw n LYS 80 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1xpw s GLU 81 N -3.04 1.88 0.00 -1.58 2.02 -1.26 -5.01 118.70 111.71 1xpw s GLU 81 Ca -0.01 -1.91 -0.02 0.00 0.02 0.00 0.00 54.97 53.06 1xpw s GLU 81 Cb 0.13 -1.75 -0.08 0.00 0.10 0.00 0.00 34.13 32.53 1xpw s GLU 81 CO 0.76 0.13 1.66 -2.30 0.02 0.00 0.00 175.26 175.54 1xpw n PRO 82 N -0.84 0.81 -3.93 0.39 -0.02 -1.26 -4.75 135.00 125.40 1xpw n PRO 82 Ca -0.05 -0.31 -0.16 0.00 -2.02 0.00 0.00 63.50 60.96 1xpw n PRO 82 Cb 0.63 -1.56 -0.05 0.00 -0.02 0.00 0.00 33.50 32.50 1xpw n PRO 82 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1xpw n VAL 83 N 2.36 0.00 -2.87 -1.45 0.24 -1.26 -5.05 118.33 110.30 1xpw n VAL 83 Ca 0.13 -1.99 -0.07 0.00 -2.04 0.00 0.00 64.34 60.38 1xpw n VAL 83 Cb 0.38 1.07 0.01 0.00 -1.47 0.00 0.00 33.84 33.83 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 -1.75 -7.73 -4.64 -1.34 2.03 -1.26 -4.64 116.55 97.22 1xpw n ASP 84 Ca 0.04 0.83 -0.25 0.00 0.52 0.00 0.00 54.79 55.93 1xpw n ASP 84 Cb 0.55 -4.87 -0.09 0.00 -0.72 0.00 0.00 41.12 35.99 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 -2.05 2.54 -0.01 -0.67 0.40 -1.26 -4.41 117.98 112.52 1xpw s PHE 85 Ca 0.15 -0.52 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 1xpw s PHE 85 Cb -0.04 -1.64 0.01 0.00 0.51 0.00 0.00 43.02 41.87 1xpw s PHE 85 CO 0.74 0.42 -0.01 -1.21 0.70 0.00 0.00 175.22 175.86 1xpw s GLU 86 N -3.74 0.20 -0.08 0.44 2.02 0.49 -4.98 118.70 113.05 1xpw s GLU 86 Ca 0.36 0.01 -0.29 0.00 0.02 0.00 0.00 54.97 55.07 1xpw s GLU 86 Cb 0.03 -0.30 -0.06 0.00 0.10 0.00 0.00 34.13 33.91 1xpw s GLU 86 CO 0.19 -0.05 1.79 1.14 0.02 0.00 0.00 175.26 178.35 1xpw s GLN 87 N 0.49 3.99 -0.02 1.61 1.03 -1.26 -0.41 119.66 125.09 1xpw s GLN 87 Ca -0.05 2.19 -0.02 0.00 0.04 0.00 0.00 55.36 57.53 1xpw s GLN 87 Cb -0.07 -4.08 -0.01 0.00 0.03 0.00 0.00 33.01 28.88 1xpw s GLN 87 CO -0.01 -1.08 -0.03 1.87 -2.54 0.00 0.00 175.29 173.50 1xpw n TRP 88 N 7.94 0.04 -3.43 9.60 -0.00 -0.04 -4.89 117.44 126.66 1xpw n TRP 88 Ca 0.19 0.02 -0.21 0.00 -0.00 0.00 0.00 57.50 57.50 1xpw n TRP 88 Cb 0.43 -0.15 -0.11 0.00 -0.00 0.00 0.00 31.31 31.48 1xpw n TRP 88 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 1xpw s ILE 89 N -1.18 -0.23 -0.58 5.87 -4.36 -0.51 -5.03 121.20 115.19 1xpw s ILE 89 Ca -0.03 -0.87 -0.22 0.00 -0.26 0.00 0.00 60.65 59.27 1xpw s ILE 89 Cb 0.00 -0.93 0.06 0.00 1.25 0.00 0.00 42.46 42.85 1xpw s ILE 89 CO 0.04 -0.64 0.86 -0.70 0.24 0.00 0.00 174.94 174.74 1xpw s GLU 90 N 1.86 3.20 0.09 0.37 2.12 -1.26 -2.09 118.70 122.98 1xpw s GLU 90 Ca 0.13 -0.64 0.09 0.00 0.36 0.00 0.00 54.97 54.91 1xpw s GLU 90 Cb -0.16 -4.13 -0.03 0.00 0.26 0.00 0.00 34.13 30.07 1xpw s GLU 90 CO -0.20 -1.53 -0.24 0.21 -0.54 0.00 0.00 175.26 172.95 1xpw s LYS 91 N 3.61 1.44 0.20 4.30 2.20 0.08 -4.95 119.74 126.62 1xpw s LYS 91 Ca 0.23 -1.17 -0.17 0.00 -0.36 0.00 0.00 55.97 54.50 1xpw s LYS 91 Cb -0.16 -1.73 -0.08 0.00 -1.51 0.00 0.00 37.83 34.35 1xpw s LYS 91 CO 0.14 0.42 0.65 0.16 -0.36 0.00 0.00 175.35 176.37 1xpw s ASP 92 N -1.65 6.93 0.05 1.43 -4.77 -1.26 -0.96 116.67 116.44 1xpw s ASP 92 Ca 0.11 1.26 0.05 0.00 -3.30 0.00 0.00 52.55 50.67 1xpw s ASP 92 Cb -0.10 -2.36 -0.04 0.00 -1.09 0.00 0.00 42.92 39.34 1xpw s ASP 92 CO 0.04 0.03 -0.09 -0.22 0.70 0.00 0.00 175.17 175.63 1xpw s LEU 93 N -2.09 3.08 0.05 2.11 0.20 0.78 -4.94 118.68 117.86 1xpw s LEU 93 Ca 0.42 -0.27 -0.28 0.00 0.69 0.00 0.00 54.13 54.68 1xpw s LEU 93 Cb -0.15 -1.82 -0.05 0.00 -0.43 0.00 0.00 46.19 43.74 1xpw s LEU 93 CO 0.20 0.23 0.91 -0.69 -0.29 0.00 0.00 176.35 176.71 1xpw s VAL 94 N -1.10 4.71 -0.36 1.68 1.01 -1.26 -4.50 120.40 120.59 1xpw s VAL 94 Ca 0.19 1.93 -0.29 0.00 0.00 0.00 0.00 61.98 63.81 1xpw s VAL 94 Cb -0.11 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 31.93 1xpw s VAL 94 CO 0.11 0.27 2.30 1.57 0.00 0.00 0.00 175.10 179.34 1xpw n HIS 95 N 3.25 1.66 -3.39 5.22 -0.00 -1.26 -4.85 115.22 115.84 1xpw n HIS 95 Ca 0.02 0.05 -0.43 0.00 0.46 0.00 0.00 57.72 57.83 1xpw n HIS 95 Cb 0.50 -2.64 -0.09 0.00 -0.12 0.00 0.00 29.99 27.63 1xpw n HIS 95 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1xpw s THR 96 N 9.29 5.17 -0.48 3.57 -4.23 -1.26 -5.01 115.64 122.70 1xpw s THR 96 Ca 1.04 -0.44 -0.11 0.00 -1.18 0.00 0.00 61.69 60.99 1xpw s THR 96 Cb -0.45 -3.96 0.11 0.00 1.34 0.00 0.00 72.50 69.54 1xpw s THR 96 CO 0.36 -0.33 0.37 -1.61 -0.54 0.00 0.00 174.62 172.87 1xpw s GLU 97 N 1.92 2.66 -0.98 3.99 2.02 -1.26 -4.13 118.70 122.92 1xpw s GLU 97 Ca 0.09 -1.67 0.00 0.00 0.02 0.00 0.00 54.97 53.41 1xpw s GLU 97 Cb -0.18 -4.01 0.00 0.00 0.10 0.00 0.00 34.13 30.04 1xpw s GLU 97 CO 0.12 -1.18 0.00 0.41 0.02 0.00 0.00 175.26 174.63 1xpw n GLY 98 N 5.02 0.92 2.98 -1.39 0.00 -1.26 -5.00 105.19 106.46 1xpw n GLY 98 Ca -0.10 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.09 2.03 -0.74 1.61 -1.52 -1.26 -5.07 119.66 111.62 1xpw s GLN 99 Ca 0.00 -0.61 -0.26 0.00 -1.95 0.00 0.00 55.36 52.54 1xpw s GLN 99 Cb 0.00 -2.13 0.00 0.00 -0.22 0.00 0.00 33.01 30.66 1xpw s GLN 99 CO 0.00 -0.32 1.62 -0.51 -0.25 0.00 0.00 175.29 175.83 1xpw s LEU 100 N 1.50 3.25 -0.54 2.90 1.43 -1.26 -4.81 118.68 121.15 1xpw s LEU 100 Ca 0.03 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 52.66 1xpw s LEU 100 Cb -0.14 -2.55 0.07 0.00 0.03 0.00 0.00 46.19 43.60 1xpw s LEU 100 CO -0.09 -2.13 0.68 -1.58 0.23 0.00 0.00 176.35 173.46 1xpw s GLN 101 N 6.34 3.11 -0.42 1.70 2.00 -1.26 -5.01 119.66 126.11 1xpw s GLN 101 Ca 0.54 -0.98 -0.26 0.00 -2.00 0.00 0.00 55.36 52.65 1xpw s GLN 101 Cb -0.09 -4.15 0.02 0.00 0.80 0.00 0.00 33.01 29.59 1xpw s GLN 101 CO 0.12 -1.37 0.98 -0.80 -0.50 0.00 0.00 175.29 173.73 1xpw s ASN 102 N 3.04 6.62 -0.43 6.67 -0.87 -1.26 -3.92 114.94 124.78 1xpw s ASN 102 Ca 0.15 0.43 -0.20 0.00 -1.57 0.00 0.00 52.86 51.67 1xpw s ASN 102 Cb -0.20 -2.48 0.02 0.00 -0.02 0.00 0.00 41.25 38.57 1xpw s ASN 102 CO 0.10 -1.00 0.62 -1.61 -2.57 0.00 0.00 177.10 172.64 1xpw s GLU 103 N 3.78 3.27 -0.85 -0.60 0.41 0.41 -4.91 118.70 120.20 1xpw s GLU 103 Ca 0.40 -0.41 -0.22 0.00 -0.41 0.00 0.00 54.97 54.33 1xpw s GLU 103 Cb -0.10 -3.95 0.08 0.00 -1.78 0.00 0.00 34.13 28.38 1xpw s GLU 103 CO 0.24 -0.98 1.19 -2.00 -0.49 0.00 0.00 175.26 173.21 1xpw s GLU 104 N 2.74 3.40 -0.42 1.61 2.12 -1.26 -1.63 118.70 125.26 1xpw s GLU 104 Ca 0.21 -1.11 -0.18 0.00 0.36 0.00 0.00 54.97 54.25 1xpw s GLU 104 Cb -0.14 -4.73 0.02 0.00 0.26 0.00 0.00 34.13 29.54 1xpw s GLU 104 CO 0.18 -1.95 0.49 0.42 -0.54 0.00 0.00 175.26 173.86 1xpw s ILE 105 N 4.11 5.02 -1.06 -3.70 1.01 -0.24 -4.96 121.20 121.38 1xpw s ILE 105 Ca 0.33 -0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.62 1xpw s ILE 105 Cb -0.07 -4.07 0.08 0.00 0.01 0.00 0.00 42.46 38.41 1xpw s ILE 105 CO -0.00 -0.44 1.44 0.68 0.00 0.00 0.00 174.94 176.62 1xpw s VAL 106 N 2.32 4.18 -0.13 2.92 -7.23 -1.26 -0.36 120.40 120.84 1xpw s VAL 106 Ca 0.15 -1.24 0.01 0.00 -1.81 0.00 0.00 61.98 59.10 1xpw s VAL 106 Cb -0.16 -5.02 0.02 0.00 0.56 0.00 0.00 36.38 31.78 1xpw s VAL 106 CO 0.15 -1.85 -0.15 0.00 -0.31 0.00 0.00 175.10 172.94 1xpw s ALA 107 N 4.19 1.79 -0.33 1.32 0.00 -1.06 -4.99 121.76 122.68 1xpw s ALA 107 Ca 0.45 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 1xpw s ALA 107 Cb -0.00 -0.94 0.04 0.00 0.00 0.00 0.00 23.12 22.21 1xpw s ALA 107 CO -0.06 -0.22 0.10 -1.01 0.00 0.00 0.00 175.76 174.57 1xpw s HIS 108 N 1.22 3.24 0.00 0.00 3.76 -1.26 -3.45 115.29 118.81 1xpw s HIS 108 Ca -0.01 -1.36 -0.29 0.00 -0.15 0.00 0.00 55.06 53.26 1xpw s HIS 108 Cb -0.14 -2.28 0.10 0.00 1.11 0.00 0.00 32.58 31.37 1xpw s HIS 108 CO -0.06 -0.71 0.89 0.20 -0.85 0.00 0.00 174.74 174.21 1xpw s GLY 109 N 1.42 -0.46 -0.16 -2.22 0.00 -0.33 -5.02 107.32 100.56 1xpw s GLY 109 Ca -0.01 0.97 -0.08 0.00 0.00 0.00 0.00 44.72 45.60 1xpw s GLY 109 CO 0.03 0.32 0.12 -0.56 0.00 0.00 0.00 173.10 173.01 1xpw s SER 110 N -2.50 6.16 0.07 1.64 0.01 -1.26 -0.36 113.70 117.45 1xpw s SER 110 Ca 0.05 0.31 -0.10 0.00 1.31 0.00 0.00 55.95 57.53 1xpw s SER 110 Cb -0.01 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.20 1xpw s SER 110 CO -0.09 0.29 0.21 0.00 0.41 0.00 0.00 173.24 174.07 1xpw s ALA 111 N -0.33 -0.34 -0.01 1.44 0.00 -1.01 -4.66 121.76 116.84 1xpw s ALA 111 Ca 0.11 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1xpw s ALA 111 Cb -0.12 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1xpw s ALA 111 CO 0.01 -0.46 0.01 0.25 0.00 0.00 0.00 175.76 175.57 1xpw n THR 112 N 0.23 0.10 -4.07 0.00 -2.24 0.80 -2.79 114.28 106.30 1xpw n THR 112 Ca -0.17 -0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 1xpw n THR 112 Cb 0.61 -0.76 -0.14 0.00 -2.10 0.00 0.00 70.33 67.95 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 -2.05 0.41 -0.06 4.78 2.02 -0.34 -1.09 117.35 121.01 1xpw s TYR 113 Ca -0.01 -0.18 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 1xpw s TYR 113 Cb 0.01 -0.26 0.01 0.00 -0.40 0.00 0.00 41.96 41.32 1xpw s TYR 113 CO 0.07 -0.03 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.39 1xpw s LEU 114 N -0.47 1.65 -0.34 -1.29 1.43 -0.92 -0.41 118.68 118.33 1xpw s LEU 114 Ca -0.02 -0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 52.75 1xpw s LEU 114 Cb -0.04 -0.79 0.05 0.00 0.03 0.00 0.00 46.19 45.44 1xpw s LEU 114 CO -0.00 0.04 0.10 -0.60 0.23 0.00 0.00 176.35 176.11 1xpw s ARG 115 N 0.60 2.53 -0.45 1.70 3.52 0.47 -0.38 118.95 126.94 1xpw s ARG 115 Ca -0.13 -1.27 -0.23 0.00 -0.13 0.00 0.00 55.73 53.98 1xpw s ARG 115 Cb -0.15 -3.42 0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1xpw s ARG 115 CO 0.03 -0.70 0.77 -0.06 -0.81 0.00 0.00 175.30 174.53 1xpw s PHE 116 N 1.35 3.00 -0.54 5.12 0.08 0.05 -1.46 117.98 125.57 1xpw s PHE 116 Ca -0.02 0.11 -0.10 0.00 0.12 0.00 0.00 56.93 57.04 1xpw s PHE 116 Cb -0.20 -3.63 0.14 0.00 -0.57 0.00 0.00 43.02 38.75 1xpw s PHE 116 CO 0.01 -0.99 0.43 0.42 -0.10 0.00 0.00 175.22 175.00 1xpw s ILE 117 N 3.24 4.47 -0.78 0.64 1.01 0.33 -2.12 121.20 127.99 1xpw s ILE 117 Ca 0.29 -1.97 -0.23 0.00 0.00 0.00 0.00 60.65 58.73 1xpw s ILE 117 Cb -0.13 -3.90 0.07 0.00 0.01 0.00 0.00 42.46 38.51 1xpw s ILE 117 CO 0.22 -0.83 1.15 -0.63 0.00 0.00 0.00 174.94 174.84 1xpw s ILE 118 N 1.08 4.18 0.02 2.92 1.01 0.44 -0.42 121.20 130.44 1xpw s ILE 118 Ca 0.08 -0.45 -0.25 0.00 0.00 0.00 0.00 60.65 60.03 1xpw s ILE 118 Cb -0.24 -4.82 -0.18 0.00 0.01 0.00 0.00 42.46 37.23 1xpw s ILE 118 CO -0.02 -1.64 1.41 0.58 0.00 0.00 0.00 174.94 175.27 1xpw h VAL 119 N 6.09 1.08 -3.96 2.92 2.07 -1.61 -0.71 116.25 122.13 1xpw h VAL 119 Ca -0.13 -0.65 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 1xpw h VAL 119 Cb 1.05 1.50 -0.13 0.00 -1.52 0.00 0.00 31.29 32.18 1xpw h VAL 119 CO 1.23 0.16 -0.38 -0.44 0.02 0.00 0.00 177.57 178.15 1xpw s SER 120 N -5.36 0.10 0.16 0.57 0.01 -1.25 -4.13 113.70 103.79 1xpw s SER 120 Ca -0.15 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.23 1xpw s SER 120 Cb 0.03 0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.61 1xpw s SER 120 CO 0.64 -0.83 0.05 0.00 0.41 0.00 0.00 173.24 173.51 1xpw s ALA 121 N -3.96 1.11 0.01 1.44 0.00 -1.26 -1.27 121.76 117.82 1xpw s ALA 121 Ca 0.16 -1.56 0.29 0.00 0.00 0.00 0.00 51.96 50.84 1xpw s ALA 121 Cb 0.04 0.83 1.02 0.00 0.00 0.00 0.00 23.12 25.01 1xpw s ALA 121 CO -0.02 -0.44 1.86 0.74 0.00 0.00 0.00 175.76 177.89 1xpw h PHE 122 N 2.75 0.00 -3.56 0.00 0.04 -1.41 -3.43 116.94 111.33 1xpw h PHE 122 Ca -0.36 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 59.74 1xpw h PHE 122 Cb 1.21 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 39.16 1xpw h PHE 122 CO 0.46 0.08 -0.83 -0.51 -0.60 0.00 0.00 178.31 176.90 1xpw s ASP 123 N -5.95 3.50 0.00 2.17 1.11 -1.26 -5.01 116.67 111.24 1xpw s ASP 123 Ca 0.02 -0.76 0.00 0.00 0.18 0.00 0.00 52.55 52.00 1xpw s ASP 123 Cb 0.09 -0.31 0.00 0.00 1.07 0.00 0.00 42.92 43.77 1xpw s ASP 123 CO 0.60 0.15 0.85 0.00 1.18 0.00 0.00 175.17 177.95 1xpw n HIS 124 N 0.60 0.00 -3.92 4.23 1.44 -1.26 -4.45 115.22 111.86 1xpw n HIS 124 Ca -0.15 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.32 1xpw n HIS 124 Cb 0.54 -0.01 -0.17 0.00 0.12 0.00 0.00 29.99 30.47 1xpw n HIS 124 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xpw s PHE 125 N -1.84 0.93 -0.08 -1.40 0.08 -1.26 -4.66 117.98 109.75 1xpw s PHE 125 Ca 0.00 -0.34 0.04 0.00 0.12 0.00 0.00 56.93 56.75 1xpw s PHE 125 Cb 0.00 -0.90 -0.01 0.00 -0.57 0.00 0.00 43.02 41.54 1xpw s PHE 125 CO 0.00 -0.35 -0.21 0.00 -0.10 0.00 0.00 175.22 174.56 1xpw s ALA 126 N 1.63 2.33 -0.07 5.36 0.00 -1.26 -4.82 121.76 124.92 1xpw s ALA 126 Ca 0.01 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1xpw s ALA 126 Cb -0.13 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.17 1xpw s ALA 126 CO -0.05 0.39 -0.06 -1.54 0.00 0.00 0.00 175.76 174.50 1xpw s SER 127 N -0.07 1.53 -0.15 0.00 1.04 -1.23 -1.74 113.70 113.08 1xpw s SER 127 Ca -0.05 -0.20 -0.12 0.00 0.48 0.00 0.00 55.95 56.06 1xpw s SER 127 Cb -0.14 -0.63 -0.05 0.00 0.10 0.00 0.00 66.02 65.30 1xpw s SER 127 CO 0.04 -0.07 0.25 0.54 0.98 0.00 0.00 173.24 174.98 1xpw s VAL 128 N 1.22 5.33 -0.20 5.02 0.11 -0.19 -1.58 120.40 130.11 1xpw s VAL 128 Ca -0.05 0.46 0.01 0.00 -2.93 0.00 0.00 61.98 59.47 1xpw s VAL 128 Cb -0.14 -3.58 -0.13 0.00 -1.53 0.00 0.00 36.38 31.00 1xpw s VAL 128 CO -0.02 0.44 -0.18 1.57 -3.33 0.00 0.00 175.10 173.58 1xpw n HIS 129 N 3.26 0.00 -3.67 1.54 -0.00 -0.87 -2.03 115.22 113.45 1xpw n HIS 129 Ca -0.14 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.95 1xpw n HIS 129 Cb 0.52 -0.78 -0.09 0.00 -0.12 0.00 0.00 29.99 29.52 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 -6.00 -0.73 -0.00 0.26 0.15 -0.90 -4.84 113.70 101.64 1xpw s SER 130 Ca -0.27 1.23 0.01 0.00 0.70 0.00 0.00 55.95 57.62 1xpw s SER 130 Cb 0.07 1.12 -0.00 0.00 -1.71 0.00 0.00 66.02 65.50 1xpw s SER 130 CO 0.47 -0.22 -0.05 0.68 1.20 0.00 0.00 173.24 175.32 1xpw s VAL 131 N 1.35 0.37 -0.05 4.45 -7.23 -1.26 -0.38 120.40 117.65 1xpw s VAL 131 Ca -0.08 -0.21 -0.14 0.00 -1.81 0.00 0.00 61.98 59.73 1xpw s VAL 131 Cb -0.06 -0.32 0.03 0.00 0.56 0.00 0.00 36.38 36.59 1xpw s VAL 131 CO -0.14 0.10 0.33 -0.55 -0.31 0.00 0.00 175.10 174.53 1xpw s SER 132 N -0.13 -0.25 -0.20 4.85 0.15 -0.32 -4.74 113.70 113.06 1xpw s SER 132 Ca 0.02 0.28 -0.07 0.00 0.70 0.00 0.00 55.95 56.88 1xpw s SER 132 Cb -0.02 0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 64.69 1xpw s SER 132 CO -0.00 -0.36 0.05 0.00 1.20 0.00 0.00 173.24 174.13 1xpw s ALA 133 N -0.89 3.23 -0.47 5.45 0.00 -1.26 -0.39 121.76 127.44 1xpw s ALA 133 Ca -0.10 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.76 1xpw s ALA 133 Cb -0.04 -1.92 0.04 0.00 0.00 0.00 0.00 23.12 21.20 1xpw s ALA 133 CO 0.03 -0.09 0.59 -1.21 0.00 0.00 0.00 175.76 175.09 1xpw s GLU 134 N 0.88 3.16 0.00 0.00 2.02 0.47 -2.02 118.70 123.21 1xpw s GLU 134 Ca 0.03 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.30 1xpw s GLU 134 Cb -0.14 -4.03 0.00 0.00 0.10 0.00 0.00 34.13 30.06 1xpw s GLU 134 CO 0.02 -1.09 0.00 0.41 0.02 0.00 0.00 175.26 174.63 1xpw n GLY 135 N 5.12 1.61 3.20 -1.39 0.00 -1.23 -0.28 105.19 112.21 1xpw n GLY 135 Ca -0.05 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 1xpw n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xpw s THR 136 N -0.57 0.11 0.06 2.61 2.01 -0.90 0.17 115.64 119.13 1xpw s THR 136 Ca 0.00 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.77 1xpw s THR 136 Cb 0.00 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1xpw s THR 136 CO 0.00 -0.51 1.14 0.68 -0.69 0.00 0.00 174.62 175.24 1xpw s VAL 137 N -2.86 4.21 -0.25 3.82 -7.23 -1.26 -0.64 120.40 116.18 1xpw s VAL 137 Ca -0.03 1.60 -0.02 0.00 -1.81 0.00 0.00 61.98 61.73 1xpw s VAL 137 Cb 0.00 -4.03 -0.17 0.00 0.56 0.00 0.00 36.38 32.75 1xpw s VAL 137 CO -0.05 0.14 -0.19 0.52 -0.31 0.00 0.00 175.10 175.20 1xpw n VAL 138 N 3.81 1.52 -4.07 1.32 0.31 0.54 -4.91 118.33 116.86 1xpw n VAL 138 Ca 0.08 -0.54 -0.23 0.00 -0.01 0.00 0.00 64.34 63.64 1xpw n VAL 138 Cb 0.47 -1.53 -0.17 0.00 -0.91 0.00 0.00 33.84 31.70 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 -6.73 1.57 0.19 4.52 0.01 -0.75 -5.01 113.70 107.50 1xpw s SER 139 Ca -0.34 -0.19 -0.30 0.00 1.31 0.00 0.00 55.95 56.42 1xpw s SER 139 Cb 0.10 -0.61 -0.08 0.00 0.21 0.00 0.00 66.02 65.64 1xpw s SER 139 CO 0.60 -0.09 0.97 0.20 0.41 0.00 0.00 173.24 175.32 1xpw s ASN 140 N 1.35 7.55 0.05 2.44 -0.87 -1.25 -2.89 114.94 121.31 1xpw s ASN 140 Ca -0.03 1.92 -0.26 0.00 -1.57 0.00 0.00 52.86 52.92 1xpw s ASN 140 Cb -0.14 -2.60 -0.17 0.00 -0.02 0.00 0.00 41.25 38.32 1xpw s ASN 140 CO -0.03 0.03 1.54 0.25 -2.57 0.00 0.00 177.10 176.33 1xpw h LEU 141 N 4.73 -0.22 -1.52 0.60 5.85 -1.98 -3.02 115.31 119.75 1xpw h LEU 141 Ca -0.44 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1xpw h LEU 141 Cb 1.21 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1xpw h LEU 141 CO 0.70 -0.03 0.00 -1.54 -0.34 0.00 0.00 178.44 177.23 1xpw n SER 142 N -5.14 2.23 0.00 1.25 3.41 -1.26 -5.14 113.62 108.98 1xpw n SER 142 Ca -0.09 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1xpw n SER 142 Cb 0.18 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1xpw n SER 142 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68