#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpw s ARG 2 N 0.00 4.25 -1.08 2.12 1.70 -1.26 -3.90 118.95 120.77 1xpw s ARG 2 Ca 0.00 1.03 -0.02 0.00 -0.47 0.00 0.00 55.73 56.28 1xpw s ARG 2 Cb 0.00 -2.43 0.00 0.00 -0.57 0.00 0.00 34.95 31.95 1xpw s ARG 2 CO 0.00 0.12 0.91 1.17 -1.08 0.00 0.00 175.30 176.42 1xpw n LYS 3 N -0.21 -6.07 -3.62 3.89 4.81 -0.63 -4.99 118.16 111.35 1xpw n LYS 3 Ca 0.04 0.74 -0.36 0.00 -0.87 0.00 0.00 58.31 57.86 1xpw n LYS 3 Cb 0.53 -5.45 -0.06 0.00 0.02 0.00 0.00 35.03 30.07 1xpw n LYS 3 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1xpw s ILE 4 N -3.31 5.16 -0.93 3.15 2.07 -0.93 -4.76 121.20 121.65 1xpw s ILE 4 Ca 0.12 0.52 -0.24 0.00 -1.41 0.00 0.00 60.65 59.63 1xpw s ILE 4 Cb -0.05 -3.62 0.01 0.00 0.13 0.00 0.00 42.46 38.92 1xpw s ILE 4 CO 0.64 0.45 1.66 -1.81 -1.91 0.00 0.00 174.94 173.97 1xpw s ASP 5 N -1.40 5.87 -0.00 4.50 1.11 -1.26 -3.17 116.67 122.32 1xpw s ASP 5 Ca 0.26 -0.96 0.03 0.00 0.18 0.00 0.00 52.55 52.06 1xpw s ASP 5 Cb -0.15 -2.56 0.09 0.00 1.07 0.00 0.00 42.92 41.37 1xpw s ASP 5 CO 0.14 -2.07 1.04 0.18 1.18 0.00 0.00 175.17 175.64 1xpw n LEU 6 N 11.15 0.61 -0.45 1.23 4.77 0.80 -3.24 117.00 131.86 1xpw n LEU 6 Ca 0.33 -0.31 0.12 0.00 -0.03 0.00 0.00 56.01 56.12 1xpw n LEU 6 Cb 0.49 -0.10 0.24 0.00 -2.33 0.00 0.00 43.42 41.73 1xpw n LEU 6 CO 0.64 0.14 0.57 0.00 -1.33 0.00 0.00 177.39 177.42 1xpw s LEU 8 N -2.36 4.10 0.49 0.00 1.43 -1.20 -4.11 118.68 117.03 1xpw s LEU 8 Ca 0.25 1.18 0.26 0.00 -1.03 0.00 0.00 54.13 54.80 1xpw s LEU 8 Cb 0.19 -3.96 1.25 0.00 0.03 0.00 0.00 46.19 43.70 1xpw s LEU 8 CO 0.48 -0.17 1.98 0.77 0.23 0.00 0.00 176.35 179.64 1xpw h SER 9 N 2.35 0.00 0.83 2.29 4.64 -0.40 -0.65 113.55 122.61 1xpw h SER 9 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1xpw h SER 9 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1xpw h SER 9 CO 0.66 0.16 0.00 0.28 -0.87 0.00 0.00 176.83 177.07 1xpw h SER 10 N 0.00 0.00 0.42 4.97 0.02 -1.89 -0.62 113.55 116.44 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 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1xpw h SER 10 CO 0.02 0.00 -0.41 -0.62 -1.14 0.00 0.00 176.83 174.69 1xpw n GLU 11 N -2.78 0.28 -0.27 3.45 -0.58 -0.28 -4.92 120.64 115.54 1xpw n GLU 11 Ca 0.01 -0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 1xpw n GLU 11 Cb 0.26 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 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 1.44 0.77 3.76 0.62 0.00 -0.24 -4.96 105.19 106.58 1xpw n GLY 12 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.41 7.14 -0.07 1.61 0.01 -1.00 -4.45 113.70 114.52 1xpw s SER 13 Ca 0.00 2.35 0.02 0.00 1.31 0.00 0.00 55.95 59.63 1xpw s SER 13 Cb 0.00 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.62 1xpw s SER 13 CO 0.00 -0.26 -0.12 -0.70 0.41 0.00 0.00 173.24 172.57 1xpw s GLU 14 N -1.35 1.75 -0.28 12.44 2.12 0.14 -4.28 118.70 129.25 1xpw s GLU 14 Ca 0.47 -0.42 -0.23 0.00 0.36 0.00 0.00 54.97 55.15 1xpw s GLU 14 Cb -0.34 -1.48 -0.01 0.00 0.26 0.00 0.00 34.13 32.57 1xpw s GLU 14 CO 0.43 -0.01 0.76 0.14 -0.54 0.00 0.00 175.26 176.04 1xpw s VAL 15 N 0.79 4.85 0.07 3.70 -7.23 -1.26 -0.36 120.40 120.95 1xpw s VAL 15 Ca -0.12 1.27 0.07 0.00 -1.81 0.00 0.00 61.98 61.39 1xpw s VAL 15 Cb -0.15 -4.09 -0.04 0.00 0.56 0.00 0.00 36.38 32.66 1xpw s VAL 15 CO 0.02 -0.14 -0.14 -0.51 -0.31 0.00 0.00 175.10 174.02 1xpw s ILE 16 N 2.82 3.08 0.00 -0.62 2.07 0.44 -4.90 121.20 124.09 1xpw s ILE 16 Ca 0.31 -1.20 0.00 0.00 -1.41 0.00 0.00 60.65 58.35 1xpw s ILE 16 Cb -0.15 -2.36 0.00 0.00 0.13 0.00 0.00 42.46 40.08 1xpw s ILE 16 CO 0.10 0.24 0.00 -0.11 -1.91 0.00 0.00 174.94 173.27 1xpw n LEU 17 N 1.20 0.00 -2.91 8.50 0.00 -1.26 -2.43 117.00 120.09 1xpw n LEU 17 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 56.01 55.86 1xpw n LEU 17 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.94 1xpw n LEU 17 CO 0.29 0.00 -0.49 0.00 0.00 0.00 0.00 177.39 177.19 1xpw n ALA 18 N 0.78 -2.84 -0.31 1.96 0.00 -1.26 -4.89 120.51 113.95 1xpw n ALA 18 Ca 0.00 0.37 -0.03 0.00 0.00 0.00 0.00 53.44 53.78 1xpw n ALA 18 Cb 0.00 -0.94 0.09 0.00 0.00 0.00 0.00 19.45 18.61 1xpw n ALA 18 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xpw h THR 19 N 3.38 1.18 -3.78 0.00 1.35 -1.36 -3.41 112.91 110.27 1xpw h THR 19 Ca -0.02 -0.38 -0.68 0.00 -0.55 0.00 0.00 66.41 64.78 1xpw h THR 19 Cb 0.45 -0.03 -0.26 0.00 -1.73 0.00 0.00 68.15 66.58 1xpw h THR 19 CO 0.05 0.20 -0.78 -0.94 -0.25 0.00 0.00 175.52 173.80 1xpw s SER 20 N -5.93 3.90 0.09 5.36 1.04 -1.26 -5.01 113.70 111.89 1xpw s SER 20 Ca -0.13 -0.28 -0.23 0.00 0.48 0.00 0.00 55.95 55.78 1xpw s SER 20 Cb 0.17 -1.12 0.06 0.00 0.10 0.00 0.00 66.02 65.23 1xpw s SER 20 CO 0.79 0.27 0.57 -0.44 0.98 0.00 0.00 173.24 175.41 1xpw s SER 21 N -0.27 -0.51 0.14 7.02 0.01 -1.26 -4.91 113.70 113.91 1xpw s SER 21 Ca 0.02 0.13 0.11 0.00 1.31 0.00 0.00 55.95 57.51 1xpw s SER 21 Cb -0.13 0.55 -0.04 0.00 0.21 0.00 0.00 66.02 66.61 1xpw s SER 21 CO 0.03 -0.83 -0.24 -0.62 0.41 0.00 0.00 173.24 171.98 1xpw s ASP 22 N -2.30 3.48 0.18 2.44 2.15 -1.09 -4.73 116.67 116.80 1xpw s ASP 22 Ca -0.02 -0.74 -0.11 0.00 0.43 0.00 0.00 52.55 52.11 1xpw s ASP 22 Cb -0.00 -0.30 0.08 0.00 -0.30 0.00 0.00 42.92 42.40 1xpw s ASP 22 CO -0.06 0.16 1.70 -0.08 -0.17 0.00 0.00 175.17 176.72 1xpw h GLU 23 N 3.67 0.99 -0.02 4.34 4.22 -2.00 -2.78 114.58 123.00 1xpw h GLU 23 Ca -0.50 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 58.72 1xpw h GLU 23 Cb 1.18 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1xpw h GLU 23 CO 0.43 0.88 -0.30 1.63 -2.18 0.00 0.00 179.01 179.47 1xpw n LYS 24 N -4.35 1.45 -3.35 1.92 4.01 -1.26 -4.43 118.16 112.15 1xpw n LYS 24 Ca 0.04 -1.14 -0.26 0.00 -0.51 0.00 0.00 58.31 56.44 1xpw n LYS 24 Cb 0.23 -1.48 -0.08 0.00 -0.51 0.00 0.00 35.03 33.19 1xpw n LYS 24 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1xpw n HIS 25 N 0.22 0.57 -3.27 2.13 8.25 -1.09 -4.95 115.22 117.08 1xpw n HIS 25 Ca 0.11 -3.68 -0.35 0.00 -0.26 0.00 0.00 57.72 53.55 1xpw n HIS 25 Cb 0.47 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 31.26 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 -1.15 4.05 0.15 -0.41 0.04 -1.07 -2.66 135.00 133.95 1xpw s PRO 26 Ca 0.35 0.60 0.16 0.00 0.04 0.00 0.00 61.00 62.14 1xpw s PRO 26 Cb 0.12 -2.85 0.72 0.00 0.04 0.00 0.00 34.50 32.52 1xpw s PRO 26 CO -0.12 0.41 1.48 -0.35 0.04 0.00 0.00 177.00 178.47 1xpw n PRO 27 N 0.61 0.09 0.28 0.56 -0.04 -1.26 -1.78 135.00 133.46 1xpw n PRO 27 Ca -0.03 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 1xpw n PRO 27 Cb 0.52 -1.72 0.80 0.00 -0.04 0.00 0.00 33.50 33.06 1xpw n PRO 27 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xpw h GLU 28 N 0.00 0.00 -0.12 0.54 5.08 -1.93 -0.92 114.58 117.24 1xpw h GLU 28 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xpw h GLU 28 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1xpw h GLU 28 CO 0.00 0.02 0.00 0.09 -1.00 0.00 0.00 179.01 178.12 1xpw n ASN 29 N -4.04 2.09 -0.08 1.42 4.13 -0.73 -3.72 115.26 114.32 1xpw n ASN 29 Ca -0.03 -1.72 -0.15 0.00 1.68 0.00 0.00 54.58 54.36 1xpw n ASN 29 Cb 0.11 -0.07 -0.04 0.00 -1.54 0.00 0.00 39.78 38.24 1xpw n ASN 29 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1xpw h ILE 30 N 3.02 1.28 0.00 2.41 2.04 -1.31 -2.46 117.51 122.50 1xpw h ILE 30 Ca 0.00 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.15 1xpw h ILE 30 Cb 0.65 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1xpw h ILE 30 CO 0.00 0.56 0.00 2.30 0.00 0.00 0.00 178.15 181.01 1xpw n ILE 31 N -4.04 0.44 0.14 -0.67 -5.35 -1.25 -3.47 119.36 105.17 1xpw n ILE 31 Ca -0.05 -0.10 -0.11 0.00 -0.27 0.00 0.00 62.75 62.22 1xpw n ILE 31 Cb 0.62 -0.64 -0.07 0.00 -1.74 0.00 0.00 39.64 37.81 1xpw n ILE 31 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1xpw h ASP 32 N 0.00 -0.36 0.00 7.28 3.58 -1.57 0.39 116.42 125.74 1xpw h ASP 32 Ca 0.00 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1xpw h ASP 32 Cb 0.58 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1xpw h ASP 32 CO 0.00 0.09 0.00 0.61 -2.88 0.00 0.00 179.24 177.06 1xpw n GLY 33 N 0.15 0.65 3.83 -0.78 0.00 -0.95 -4.81 105.19 103.27 1xpw n GLY 33 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.97 6.96 0.00 1.61 0.01 -1.26 -4.95 114.94 114.34 1xpw s ASN 34 Ca 0.00 1.23 0.00 0.00 -0.71 0.00 0.00 52.86 53.38 1xpw s ASN 34 Cb 0.00 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.32 1xpw s ASN 34 CO 0.00 0.14 0.36 -0.81 -1.51 0.00 0.00 177.10 175.28 1xpw n PRO 35 N 1.08 0.65 0.08 -0.60 -0.04 -1.26 -3.76 135.00 131.15 1xpw n PRO 35 Ca -0.06 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.29 1xpw n PRO 35 Cb 0.51 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.61 1xpw n PRO 35 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xpw h GLU 36 N 0.31 -0.27 -4.09 0.54 4.39 -1.97 -3.45 114.58 110.04 1xpw h GLU 36 Ca 0.00 0.02 -0.48 0.00 0.34 0.00 0.00 59.36 59.24 1xpw h GLU 36 Cb 0.29 0.06 -0.36 0.00 -0.10 0.00 0.00 28.75 28.63 1xpw h GLU 36 CO 0.00 0.11 -0.79 0.95 -1.16 0.00 0.00 179.01 178.12 1xpw s THR 37 N -3.46 0.79 0.32 1.13 -4.23 -1.25 -5.14 115.64 103.81 1xpw s THR 37 Ca -0.12 -0.17 0.07 0.00 -1.18 0.00 0.00 61.69 60.29 1xpw s THR 37 Cb 0.01 -0.83 -0.02 0.00 1.34 0.00 0.00 72.50 73.00 1xpw s THR 37 CO 0.44 0.31 0.36 0.72 -0.54 0.00 0.00 174.62 175.91 1xpw s PHE 38 N 1.52 3.04 -0.08 3.99 -0.12 -1.26 -4.79 117.98 120.28 1xpw s PHE 38 Ca -0.00 -0.23 -0.22 0.00 -0.05 0.00 0.00 56.93 56.42 1xpw s PHE 38 Cb -0.13 -1.82 -0.04 0.00 -0.63 0.00 0.00 43.02 40.40 1xpw s PHE 38 CO -0.05 0.16 0.66 -0.46 -0.05 0.00 0.00 175.22 175.48 1xpw s TRP 39 N -2.22 3.56 0.05 3.49 -0.00 -1.05 -4.71 118.94 118.06 1xpw s TRP 39 Ca 0.41 1.17 0.04 0.00 -0.00 0.00 0.00 56.10 57.72 1xpw s TRP 39 Cb -0.08 -2.76 -0.03 0.00 -0.00 0.00 0.00 33.47 30.61 1xpw s TRP 39 CO 0.28 0.09 -0.12 -0.08 -0.00 0.00 0.00 176.95 177.12 1xpw s THR 40 N 0.83 0.89 0.49 5.86 -1.32 -1.26 -1.33 115.64 119.79 1xpw s THR 40 Ca 0.35 -1.16 -0.04 0.00 -1.21 0.00 0.00 61.69 59.63 1xpw s THR 40 Cb -0.17 -0.88 -0.02 0.00 -1.51 0.00 0.00 72.50 69.92 1xpw s THR 40 CO 0.16 -0.24 0.77 0.28 -2.21 0.00 0.00 174.62 173.38 1xpw s THR 41 N -1.23 4.55 -1.39 5.08 -1.32 -1.24 -4.32 115.64 115.77 1xpw s THR 41 Ca -0.04 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.73 1xpw s THR 41 Cb -0.09 -3.73 0.37 0.00 -1.51 0.00 0.00 72.50 67.53 1xpw s THR 41 CO 0.01 -0.68 1.85 0.41 -2.21 0.00 0.00 174.62 174.01 1xpw n THR 42 N -2.26 0.00 0.00 5.08 -1.04 -1.26 -4.85 114.28 109.95 1xpw n THR 42 Ca 0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1xpw n THR 42 Cb 0.56 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 1xpw n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xpw n GLY 43 N 1.35 1.72 3.23 3.41 0.00 -1.26 -5.08 105.19 108.57 1xpw n GLY 43 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.70 2.49 0.02 1.61 -2.45 -1.26 -5.04 119.30 113.96 1xpw s MET 44 Ca 0.00 -1.35 0.02 0.00 -1.25 0.00 0.00 55.69 53.10 1xpw s MET 44 Cb 0.00 -3.50 -0.04 0.00 1.25 0.00 0.00 34.83 32.55 1xpw s MET 44 CO 0.00 -0.78 0.02 -0.06 1.05 0.00 0.00 175.02 175.25 1xpw s PHE 45 N 1.34 3.11 0.50 4.11 0.08 -1.26 -3.80 117.98 122.06 1xpw s PHE 45 Ca 0.00 0.09 -0.14 0.00 0.12 0.00 0.00 56.93 56.99 1xpw s PHE 45 Cb -0.21 -1.66 -0.07 0.00 -0.57 0.00 0.00 43.02 40.51 1xpw s PHE 45 CO 0.01 0.48 0.94 -2.14 -0.10 0.00 0.00 175.22 174.42 1xpw s PRO 46 N -1.76 3.86 0.16 0.24 0.02 -1.26 -5.14 135.00 131.11 1xpw s PRO 46 Ca 0.22 0.82 0.10 0.00 0.02 0.00 0.00 61.00 62.16 1xpw s PRO 46 Cb -0.12 -2.19 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 1xpw s PRO 46 CO 0.13 -0.26 -0.24 1.14 -0.33 0.00 0.00 177.00 177.44 1xpw s GLN 47 N -4.17 1.39 -0.08 5.54 -2.07 -0.85 -5.00 119.66 114.42 1xpw s GLN 47 Ca 0.57 -1.40 -0.24 0.00 -1.82 0.00 0.00 55.36 52.46 1xpw s GLN 47 Cb -0.10 -1.74 0.05 0.00 -1.09 0.00 0.00 33.01 30.13 1xpw s GLN 47 CO 0.34 0.39 0.56 -1.83 -1.32 0.00 0.00 175.29 173.43 1xpw s GLU 48 N -2.37 0.88 -0.05 9.60 -1.05 -1.26 -0.40 118.70 124.04 1xpw s GLU 48 Ca 0.16 0.25 -0.07 0.00 -0.15 0.00 0.00 54.97 55.16 1xpw s GLU 48 Cb -0.09 0.41 0.02 0.00 -0.44 0.00 0.00 34.13 34.03 1xpw s GLU 48 CO 0.07 -0.24 0.19 -0.59 0.95 0.00 0.00 175.26 175.64 1xpw s PHE 49 N -0.91 -0.16 -0.10 4.83 -0.71 -0.64 -0.90 117.98 119.38 1xpw s PHE 49 Ca -0.09 0.37 -0.00 0.00 -1.04 0.00 0.00 56.93 56.16 1xpw s PHE 49 Cb -0.02 0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.81 1xpw s PHE 49 CO 0.07 -0.16 -0.08 0.42 -1.34 0.00 0.00 175.22 174.13 1xpw s ILE 50 N -0.29 3.57 -0.23 -4.49 1.01 -1.02 -1.04 121.20 118.71 1xpw s ILE 50 Ca -0.04 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 1xpw s ILE 50 Cb -0.03 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.95 1xpw s ILE 50 CO 0.01 0.55 -0.05 -0.63 0.00 0.00 0.00 174.94 174.82 1xpw s ILE 51 N -0.22 3.24 -0.15 2.92 1.01 0.45 -0.42 121.20 128.03 1xpw s ILE 51 Ca 0.03 -0.64 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 1xpw s ILE 51 Cb -0.13 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1xpw s ILE 51 CO 0.03 0.36 0.43 0.00 0.00 0.00 0.00 174.94 175.76 1xpw h PHE 53 N 6.89 0.00 0.00 0.00 0.04 -1.27 0.44 116.94 123.04 1xpw h PHE 53 Ca -0.39 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.38 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 0.63 0.57 0.00 0.72 -0.60 0.00 0.00 178.31 179.63 1xpw n HIS 54 N -3.38 0.00 -3.81 -0.55 8.25 -1.26 -4.16 115.22 110.31 1xpw n HIS 54 Ca 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.39 1xpw n HIS 54 Cb 0.70 -0.85 -0.01 0.00 1.12 0.00 0.00 29.99 30.94 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 -1.88 0.45 -3.53 -0.41 2.85 -1.26 -4.84 118.16 109.54 1xpw n LYS 55 Ca 0.00 -1.60 -0.42 0.00 -1.05 0.00 0.00 58.31 55.24 1xpw n LYS 55 Cb 0.03 1.59 -0.09 0.00 -0.65 0.00 0.00 35.03 35.90 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 -3.95 3.29 0.32 5.58 3.76 -0.60 -4.77 115.29 118.93 1xpw s HIS 56 Ca 0.16 -1.25 0.04 0.00 -0.15 0.00 0.00 55.06 53.86 1xpw s HIS 56 Cb -0.01 -2.97 -0.06 0.00 1.11 0.00 0.00 32.58 30.65 1xpw s HIS 56 CO 0.12 -0.81 0.06 0.14 -0.85 0.00 0.00 174.74 173.40 1xpw s VAL 57 N 1.52 1.14 -0.02 -0.90 -7.23 -1.26 -1.42 120.40 112.22 1xpw s VAL 57 Ca 0.03 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 1xpw s VAL 57 Cb -0.23 -2.78 -0.00 0.00 0.56 0.00 0.00 36.38 33.93 1xpw s VAL 57 CO 0.04 -0.01 -0.12 0.00 -0.31 0.00 0.00 175.10 174.71 1xpw s ARG 58 N -3.90 1.11 -0.17 4.82 1.70 -0.74 -4.00 118.95 117.77 1xpw s ARG 58 Ca 0.37 -0.42 -0.08 0.00 -0.47 0.00 0.00 55.73 55.12 1xpw s ARG 58 Cb 0.09 -1.03 -0.04 0.00 -0.57 0.00 0.00 34.95 33.39 1xpw s ARG 58 CO 0.15 0.21 0.11 0.42 -1.08 0.00 0.00 175.30 175.12 1xpw s ILE 59 N -0.07 5.26 -0.14 4.99 1.01 0.93 -1.71 121.20 131.47 1xpw s ILE 59 Ca 0.01 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.82 1xpw s ILE 59 Cb -0.07 -3.35 -0.11 0.00 0.01 0.00 0.00 42.46 38.94 1xpw s ILE 59 CO 0.00 0.51 -0.09 -0.62 0.00 0.00 0.00 174.94 174.74 1xpw n GLU 60 N 2.97 0.80 -3.71 2.79 -0.58 -0.17 -1.54 120.64 121.20 1xpw n GLU 60 Ca -0.17 0.06 -0.14 0.00 -0.42 0.00 0.00 57.16 56.49 1xpw n GLU 60 Cb 0.53 -1.30 -0.08 0.00 -0.57 0.00 0.00 31.44 30.02 1xpw n GLU 60 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1xpw s ARG 61 N -2.30 0.77 -0.09 3.49 3.52 -0.79 -2.71 118.95 120.84 1xpw s ARG 61 Ca -0.17 -0.17 0.04 0.00 -0.13 0.00 0.00 55.73 55.30 1xpw s ARG 61 Cb 0.05 0.35 0.00 0.00 -1.56 0.00 0.00 34.95 33.79 1xpw s ARG 61 CO 0.38 -0.23 -0.21 -0.51 -0.81 0.00 0.00 175.30 173.92 1xpw s LEU 62 N -1.44 1.97 -0.59 -0.88 1.02 0.46 -0.39 118.68 118.83 1xpw s LEU 62 Ca -0.12 -0.49 -0.21 0.00 0.02 0.00 0.00 54.13 53.34 1xpw s LEU 62 Cb -0.04 -1.25 0.07 0.00 0.02 0.00 0.00 46.19 45.00 1xpw s LEU 62 CO 0.04 0.12 0.81 -0.69 0.02 0.00 0.00 176.35 176.65 1xpw s VAL 63 N 0.43 4.60 -0.33 -1.59 1.01 0.45 -0.40 120.40 124.57 1xpw s VAL 63 Ca -0.18 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 1xpw s VAL 63 Cb -0.17 -4.51 0.03 0.00 0.00 0.00 0.00 36.38 31.72 1xpw s VAL 63 CO 0.08 -1.15 0.13 -0.63 0.00 0.00 0.00 175.10 173.52 1xpw s ILE 64 N 3.32 4.07 -0.32 2.22 -1.09 -0.57 -1.53 121.20 127.30 1xpw s ILE 64 Ca 0.19 -0.91 0.03 0.00 -2.23 0.00 0.00 60.65 57.73 1xpw s ILE 64 Cb -0.19 -3.23 0.09 0.00 -1.58 0.00 0.00 42.46 37.55 1xpw s ILE 64 CO 0.11 -0.11 0.03 -1.58 -1.23 0.00 0.00 174.94 172.16 1xpw s GLN 65 N 1.48 1.45 0.27 2.79 0.74 0.08 -0.91 119.66 125.57 1xpw s GLN 65 Ca 0.01 -1.59 -0.03 0.00 0.05 0.00 0.00 55.36 53.80 1xpw s GLN 65 Cb -0.19 -2.90 0.01 0.00 1.10 0.00 0.00 33.01 31.04 1xpw s GLN 65 CO 0.04 -0.87 0.41 -1.13 -0.55 0.00 0.00 175.29 173.19 1xpw n SER 66 N 4.42 -1.16 -4.02 6.67 3.41 -1.23 -1.39 113.62 120.31 1xpw n SER 66 Ca -0.01 -2.42 -0.08 0.00 -0.26 0.00 0.00 58.87 56.11 1xpw n SER 66 Cb 0.42 2.11 -0.10 0.00 -0.26 0.00 0.00 64.21 66.38 1xpw n SER 66 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1xpw s TYR 67 N -3.48 0.39 0.00 7.33 2.02 -0.84 -4.50 117.35 118.27 1xpw s TYR 67 Ca 0.21 -0.83 0.00 0.00 -0.37 0.00 0.00 57.07 56.08 1xpw s TYR 67 Cb -0.01 -0.28 0.00 0.00 -0.40 0.00 0.00 41.96 41.26 1xpw s TYR 67 CO 0.15 -0.35 0.00 1.19 -1.57 0.00 0.00 175.55 174.97 1xpw n PHE 68 N 0.52 0.00 -1.75 2.71 3.72 -1.26 -3.66 117.46 117.75 1xpw n PHE 68 Ca -0.17 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.81 1xpw n PHE 68 Cb 0.59 -0.05 -0.01 0.00 -0.94 0.00 0.00 39.48 39.07 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 -1.11 1.16 0.00 -4.37 0.31 -1.26 0.67 118.33 113.74 1xpw n VAL 69 Ca 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1xpw n VAL 69 Cb 0.00 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 30.98 1xpw n VAL 69 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xpw n GLN 70 N 1.90 0.00 -3.40 5.55 6.02 0.25 -4.36 117.38 123.35 1xpw n GLN 70 Ca 0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.63 1xpw n GLN 70 Cb 0.37 -0.10 -0.09 0.00 1.02 0.00 0.00 30.24 31.43 1xpw n GLN 70 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1xpw s THR 71 N 0.00 5.19 -0.35 5.09 2.01 -1.18 -2.54 115.64 123.85 1xpw s THR 71 Ca 0.00 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.34 1xpw s THR 71 Cb 0.00 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.54 1xpw s THR 71 CO 0.00 -0.37 0.19 -0.22 -0.69 0.00 0.00 174.62 173.53 1xpw s LEU 72 N 1.87 4.53 -0.44 4.42 2.96 -0.42 -2.17 118.68 129.43 1xpw s LEU 72 Ca 0.08 -0.85 -0.22 0.00 -0.22 0.00 0.00 54.13 52.91 1xpw s LEU 72 Cb -0.18 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.51 1xpw s LEU 72 CO 0.11 -0.33 0.73 -0.54 -1.32 0.00 0.00 176.35 175.01 1xpw s LYS 73 N 1.57 3.37 -0.54 1.98 1.02 0.51 -0.35 119.74 127.29 1xpw s LYS 73 Ca 0.03 -0.20 -0.15 0.00 0.02 0.00 0.00 55.97 55.67 1xpw s LYS 73 Cb -0.19 -3.94 0.13 0.00 -0.52 0.00 0.00 37.83 33.32 1xpw s LYS 73 CO 0.06 -1.07 0.50 0.42 -0.92 0.00 0.00 175.35 174.34 1xpw s ILE 74 N 3.11 5.15 -0.09 2.17 1.01 -0.90 -0.43 121.20 131.22 1xpw s ILE 74 Ca 0.27 -1.55 -0.13 0.00 0.00 0.00 0.00 60.65 59.25 1xpw s ILE 74 Cb -0.13 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 1xpw s ILE 74 CO 0.21 -0.87 0.31 -0.70 0.00 0.00 0.00 174.94 173.89 1xpw s GLU 75 N 1.54 3.94 -0.28 2.79 2.56 -0.72 -2.32 118.70 126.21 1xpw s GLU 75 Ca 0.04 0.18 -0.07 0.00 0.00 0.00 0.00 54.97 55.11 1xpw s GLU 75 Cb -0.29 -3.29 -0.01 0.00 2.00 0.00 0.00 34.13 32.54 1xpw s GLU 75 CO 0.02 0.54 0.08 -1.59 -0.56 0.00 0.00 175.26 173.76 1xpw s LYS 76 N -0.48 3.37 0.01 4.30 -2.85 -0.30 -1.59 119.74 122.19 1xpw s LYS 76 Ca 0.19 -0.67 0.04 0.00 -1.00 0.00 0.00 55.97 54.53 1xpw s LYS 76 Cb -0.14 -3.37 -0.03 0.00 -2.06 0.00 0.00 37.83 32.22 1xpw s LYS 76 CO 0.08 -0.33 -0.08 0.45 0.10 0.00 0.00 175.35 175.57 1xpw s SER 77 N 1.56 4.52 -0.06 0.03 0.15 0.40 -0.49 113.70 119.82 1xpw s SER 77 Ca 0.05 -0.18 0.11 0.00 0.70 0.00 0.00 55.95 56.63 1xpw s SER 77 Cb -0.16 -1.02 0.21 0.00 -1.71 0.00 0.00 66.02 63.34 1xpw s SER 77 CO 0.03 0.28 1.10 0.41 1.20 0.00 0.00 173.24 176.26 1xpw n THR 78 N 1.57 0.75 -1.95 6.45 -1.04 -1.26 -0.15 114.28 118.65 1xpw n THR 78 Ca -0.16 -1.17 -0.24 0.00 -2.04 0.00 0.00 64.05 60.44 1xpw n THR 78 Cb 0.52 0.32 0.16 0.00 -1.82 0.00 0.00 70.33 69.51 1xpw n THR 78 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1xpw n SER 79 N -0.40 0.32 0.03 8.00 7.64 -1.26 -4.81 113.62 123.14 1xpw n SER 79 Ca 0.08 -1.53 -0.06 0.00 1.01 0.00 0.00 58.87 58.37 1xpw n SER 79 Cb 0.77 -0.79 -0.11 0.00 -1.01 0.00 0.00 64.21 63.07 1xpw n SER 79 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1xpw h LYS 80 N 0.00 0.00 -6.23 1.43 1.79 -1.98 -3.46 116.57 108.12 1xpw h LYS 80 Ca -0.34 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 57.66 1xpw h LYS 80 Cb 1.01 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.65 1xpw h LYS 80 CO 0.27 0.66 -0.40 -1.83 -1.08 0.00 0.00 179.45 177.07 1xpw s GLU 81 N -2.71 3.45 0.00 3.15 1.03 -1.26 -4.99 118.70 117.37 1xpw s GLU 81 Ca -0.02 -0.69 0.00 0.00 0.03 0.00 0.00 54.97 54.29 1xpw s GLU 81 Cb 0.09 -2.86 0.00 0.00 -0.80 0.00 0.00 34.13 30.56 1xpw s GLU 81 CO 0.82 0.39 1.23 -2.30 -1.33 0.00 0.00 175.26 174.07 1xpw n PRO 82 N -1.43 0.95 -2.88 -4.83 -0.02 -1.26 -4.78 135.00 120.75 1xpw n PRO 82 Ca -0.08 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.31 1xpw n PRO 82 Cb 0.57 -1.02 -0.03 0.00 -0.02 0.00 0.00 33.50 33.00 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 0.81 0.00 -3.04 -1.45 0.24 -1.26 -4.98 118.33 108.65 1xpw n VAL 83 Ca 0.00 -0.92 -0.05 0.00 -2.04 0.00 0.00 64.34 61.33 1xpw n VAL 83 Cb 0.48 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 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 -2.21 -7.63 -4.44 -1.34 -0.08 -1.26 -4.60 116.55 94.99 1xpw n ASP 84 Ca 0.01 0.09 -0.22 0.00 -1.51 0.00 0.00 54.79 53.15 1xpw n ASP 84 Cb 0.23 -5.03 -0.10 0.00 2.34 0.00 0.00 41.12 38.56 1xpw n ASP 84 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1xpw s PHE 85 N -2.82 2.07 0.06 -0.67 -0.12 -1.26 -4.48 117.98 110.76 1xpw s PHE 85 Ca 0.10 -0.51 0.03 0.00 -0.05 0.00 0.00 56.93 56.50 1xpw s PHE 85 Cb -0.03 -1.02 -0.04 0.00 -0.63 0.00 0.00 43.02 41.30 1xpw s PHE 85 CO 0.77 0.50 0.05 -1.21 -0.05 0.00 0.00 175.22 175.28 1xpw s GLU 86 N -3.61 2.82 -0.56 1.99 2.02 0.36 -4.88 118.70 116.85 1xpw s GLU 86 Ca 0.28 -0.68 -0.26 0.00 0.02 0.00 0.00 54.97 54.33 1xpw s GLU 86 Cb -0.01 -2.70 -0.05 0.00 0.10 0.00 0.00 34.13 31.47 1xpw s GLU 86 CO 0.12 0.58 2.18 -1.14 0.02 0.00 0.00 175.26 177.02 1xpw s GLN 87 N -2.16 2.30 0.00 1.61 2.00 -1.26 -1.15 119.66 121.00 1xpw s GLN 87 Ca 0.26 1.03 0.00 0.00 -2.00 0.00 0.00 55.36 54.65 1xpw s GLN 87 Cb -0.12 -4.52 0.00 0.00 0.80 0.00 0.00 33.01 29.17 1xpw s GLN 87 CO 0.18 -3.10 0.00 1.87 -0.50 0.00 0.00 175.29 173.75 1xpw n TRP 88 N 14.70 0.00 -3.76 1.67 -0.00 -1.12 -4.94 117.44 123.99 1xpw n TRP 88 Ca 0.30 0.00 -0.28 0.00 -0.00 0.00 0.00 57.50 57.52 1xpw n TRP 88 Cb 0.53 0.00 -0.16 0.00 -0.00 0.00 0.00 31.31 31.68 1xpw n TRP 88 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 1xpw s ILE 89 N 0.00 0.68 -0.74 5.87 -4.36 -0.98 -5.04 121.20 116.62 1xpw s ILE 89 Ca 0.00 -0.74 -0.21 0.00 -0.26 0.00 0.00 60.65 59.44 1xpw s ILE 89 Cb 0.00 -1.20 0.09 0.00 1.25 0.00 0.00 42.46 42.61 1xpw s ILE 89 CO 0.00 -0.26 0.99 -0.70 0.24 0.00 0.00 174.94 175.22 1xpw s GLU 90 N 1.78 3.26 -0.35 0.37 2.12 -1.26 -2.13 118.70 122.49 1xpw s GLU 90 Ca -0.00 -1.18 -0.13 0.00 0.36 0.00 0.00 54.97 54.02 1xpw s GLU 90 Cb -0.17 -4.46 -0.01 0.00 0.26 0.00 0.00 34.13 29.74 1xpw s GLU 90 CO -0.10 -1.78 0.24 0.21 -0.54 0.00 0.00 175.26 173.29 1xpw s LYS 91 N 3.50 3.41 -0.00 4.30 2.47 0.52 -4.87 119.74 129.07 1xpw s LYS 91 Ca 0.25 -0.70 -0.08 0.00 -1.56 0.00 0.00 55.97 53.88 1xpw s LYS 91 Cb -0.14 -3.81 -0.05 0.00 -1.46 0.00 0.00 37.83 32.37 1xpw s LYS 91 CO 0.03 -0.48 0.28 0.16 0.16 0.00 0.00 175.35 175.50 1xpw s ASP 92 N 1.71 6.53 0.35 1.43 -4.77 -1.26 -1.30 116.67 119.36 1xpw s ASP 92 Ca 0.06 0.61 0.05 0.00 -3.30 0.00 0.00 52.55 49.97 1xpw s ASP 92 Cb -0.18 -2.11 -0.07 0.00 -1.09 0.00 0.00 42.92 39.47 1xpw s ASP 92 CO 0.10 0.27 0.05 -1.48 0.70 0.00 0.00 175.17 174.81 1xpw s LEU 93 N -1.61 2.35 -0.13 2.11 0.05 -1.05 -5.01 118.68 115.38 1xpw s LEU 93 Ca 0.26 -1.38 -0.03 0.00 0.05 0.00 0.00 54.13 53.04 1xpw s LEU 93 Cb -0.13 -0.51 -0.03 0.00 -2.05 0.00 0.00 46.19 43.47 1xpw s LEU 93 CO 0.14 -0.57 -0.04 -0.69 -0.55 0.00 0.00 176.35 174.65 1xpw s VAL 94 N -3.15 3.89 0.29 1.48 1.01 -1.26 -4.76 120.40 117.90 1xpw s VAL 94 Ca 0.36 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 1xpw s VAL 94 Cb 0.09 -2.68 -0.10 0.00 0.00 0.00 0.00 36.38 33.70 1xpw s VAL 94 CO 0.16 0.52 1.25 -1.38 0.00 0.00 0.00 175.10 175.66 1xpw s HIS 95 N 0.03 3.23 -0.05 5.22 -3.43 -1.26 -5.01 115.29 114.02 1xpw s HIS 95 Ca 0.00 1.46 0.05 0.00 -0.80 0.00 0.00 55.06 55.77 1xpw s HIS 95 Cb -0.13 -3.56 -0.02 0.00 -1.43 0.00 0.00 32.58 27.44 1xpw s HIS 95 CO 0.03 -1.51 -0.20 0.95 -2.00 0.00 0.00 174.74 172.01 1xpw s THR 96 N -0.92 2.51 -0.28 -5.38 -4.23 -1.26 -5.10 115.64 100.98 1xpw s THR 96 Ca 0.49 -0.92 -0.09 0.00 -1.18 0.00 0.00 61.69 59.99 1xpw s THR 96 Cb -0.37 -1.94 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 1xpw s THR 96 CO 0.47 0.58 0.13 -0.70 -0.54 0.00 0.00 174.62 174.56 1xpw s GLU 97 N -0.51 3.60 -0.65 3.99 2.12 -1.26 -4.34 118.70 121.64 1xpw s GLU 97 Ca 0.07 -0.54 -0.00 0.00 0.36 0.00 0.00 54.97 54.86 1xpw s GLU 97 Cb -0.11 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.79 1xpw s GLU 97 CO 0.01 -0.27 0.04 0.41 -0.54 0.00 0.00 175.26 174.90 1xpw n GLY 98 N 4.98 0.08 3.28 -1.50 0.00 -1.26 -5.02 105.19 105.74 1xpw n GLY 98 Ca -0.15 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.48 0.37 -0.19 1.61 0.74 -1.26 -5.13 119.66 111.31 1xpw s GLN 99 Ca 0.02 0.92 -0.23 0.00 0.05 0.00 0.00 55.36 56.11 1xpw s GLN 99 Cb -0.01 0.15 -0.02 0.00 1.10 0.00 0.00 33.01 34.23 1xpw s GLN 99 CO 0.02 -0.20 0.75 -1.17 -0.55 0.00 0.00 175.29 174.14 1xpw s LEU 100 N 1.99 4.15 -0.94 3.68 0.20 -1.26 -4.66 118.68 121.84 1xpw s LEU 100 Ca -0.06 1.02 -0.22 0.00 0.69 0.00 0.00 54.13 55.56 1xpw s LEU 100 Cb -0.10 -3.08 0.08 0.00 -0.43 0.00 0.00 46.19 42.66 1xpw s LEU 100 CO -0.13 -0.36 1.28 -1.10 -0.29 0.00 0.00 176.35 175.75 1xpw s GLN 101 N 2.12 3.53 -0.70 1.98 -1.52 -1.26 -4.93 119.66 118.88 1xpw s GLN 101 Ca 0.34 -1.27 -0.16 0.00 -1.95 0.00 0.00 55.36 52.32 1xpw s GLN 101 Cb -0.16 -5.03 0.16 0.00 -0.22 0.00 0.00 33.01 27.77 1xpw s GLN 101 CO 0.11 -2.01 0.70 -0.80 -0.25 0.00 0.00 175.29 173.04 1xpw s ASN 102 N 4.29 6.47 -0.43 5.90 -0.87 -1.26 -3.53 114.94 125.51 1xpw s ASN 102 Ca 0.38 -2.12 -0.13 0.00 -1.57 0.00 0.00 52.86 49.43 1xpw s ASN 102 Cb -0.04 -2.24 0.06 0.00 -0.02 0.00 0.00 41.25 39.01 1xpw s ASN 102 CO -0.07 -0.81 0.31 -0.70 -2.57 0.00 0.00 177.10 173.27 1xpw s GLU 103 N 1.30 2.82 -0.71 -0.60 2.12 -0.08 -4.96 118.70 118.59 1xpw s GLU 103 Ca 0.13 -1.31 -0.23 0.00 0.36 0.00 0.00 54.97 53.92 1xpw s GLU 103 Cb -0.19 -3.93 0.06 0.00 0.26 0.00 0.00 34.13 30.34 1xpw s GLU 103 CO -0.02 -0.92 1.07 -1.83 -0.54 0.00 0.00 175.26 173.02 1xpw s GLU 104 N 1.56 3.18 -0.40 4.30 -1.05 -1.26 -1.52 118.70 123.50 1xpw s GLU 104 Ca 0.03 -0.75 -0.29 0.00 -0.15 0.00 0.00 54.97 53.82 1xpw s GLU 104 Cb -0.22 -4.30 0.02 0.00 -0.44 0.00 0.00 34.13 29.19 1xpw s GLU 104 CO 0.05 -1.92 1.10 0.42 0.95 0.00 0.00 175.26 175.87 1xpw s ILE 105 N 4.44 4.36 -1.07 1.83 -1.09 0.47 -4.87 121.20 125.26 1xpw s ILE 105 Ca 0.27 1.46 -0.20 0.00 -2.23 0.00 0.00 60.65 59.95 1xpw s ILE 105 Cb -0.13 -4.51 0.09 0.00 -1.58 0.00 0.00 42.46 36.32 1xpw s ILE 105 CO 0.09 -0.75 1.43 0.54 -1.23 0.00 0.00 174.94 175.02 1xpw s VAL 106 N 4.05 4.26 -0.18 2.92 0.11 -1.26 -0.40 120.40 129.90 1xpw s VAL 106 Ca 0.46 -1.37 0.01 0.00 -2.93 0.00 0.00 61.98 58.15 1xpw s VAL 106 Cb -0.10 -5.00 0.03 0.00 -1.53 0.00 0.00 36.38 29.78 1xpw s VAL 106 CO 0.24 -1.82 -0.14 0.00 -3.33 0.00 0.00 175.10 170.05 1xpw s ALA 107 N 3.94 2.08 -0.42 1.54 0.00 -1.10 -4.98 121.76 122.81 1xpw s ALA 107 Ca 0.44 -1.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 1xpw s ALA 107 Cb -0.01 -1.21 0.05 0.00 0.00 0.00 0.00 23.12 21.95 1xpw s ALA 107 CO -0.05 -0.59 0.29 -1.01 0.00 0.00 0.00 175.76 174.40 1xpw s HIS 108 N 1.38 3.26 0.10 0.00 3.76 -1.26 -3.72 115.29 118.81 1xpw s HIS 108 Ca 0.02 -0.94 -0.26 0.00 -0.15 0.00 0.00 55.06 53.73 1xpw s HIS 108 Cb -0.15 -2.76 0.08 0.00 1.11 0.00 0.00 32.58 30.85 1xpw s HIS 108 CO -0.10 -0.71 0.95 0.20 -0.85 0.00 0.00 174.74 174.24 1xpw s GLY 109 N 1.97 -0.30 -0.01 -2.22 0.00 -0.59 -5.01 107.32 101.15 1xpw s GLY 109 Ca 0.03 0.38 0.03 0.00 0.00 0.00 0.00 44.72 45.17 1xpw s GLY 109 CO 0.07 0.10 -0.08 -0.56 0.00 0.00 0.00 173.10 172.63 1xpw s SER 110 N -2.82 4.56 0.01 1.64 0.01 -1.26 -0.05 113.70 115.80 1xpw s SER 110 Ca 0.10 -0.13 -0.28 0.00 1.31 0.00 0.00 55.95 56.95 1xpw s SER 110 Cb -0.01 -1.07 0.07 0.00 0.21 0.00 0.00 66.02 65.23 1xpw s SER 110 CO -0.01 0.30 0.67 0.00 0.41 0.00 0.00 173.24 174.61 1xpw s ALA 111 N -0.94 -1.72 -0.06 1.44 0.00 -1.26 -4.81 121.76 114.41 1xpw s ALA 111 Ca 0.16 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.26 1xpw s ALA 111 Cb -0.11 0.26 -0.11 0.00 0.00 0.00 0.00 23.12 23.16 1xpw s ALA 111 CO 0.06 -0.50 0.07 0.25 0.00 0.00 0.00 175.76 175.64 1xpw n THR 112 N 0.49 0.42 -4.19 0.00 -2.24 0.78 -4.47 114.28 105.07 1xpw n THR 112 Ca -0.18 -0.31 -0.23 0.00 -2.27 0.00 0.00 64.05 61.06 1xpw n THR 112 Cb 0.60 -0.51 -0.17 0.00 -2.10 0.00 0.00 70.33 68.15 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 -2.30 1.14 -0.17 4.78 1.51 -0.48 -0.80 117.35 121.02 1xpw s TYR 113 Ca -0.04 -0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 55.58 1xpw s TYR 113 Cb 0.03 -0.94 -0.00 0.00 -0.11 0.00 0.00 41.96 40.93 1xpw s TYR 113 CO 0.34 -0.31 -0.12 -0.51 -1.11 0.00 0.00 175.55 173.85 1xpw s LEU 114 N 1.14 2.63 -0.41 -1.29 1.43 -0.51 -0.46 118.68 121.22 1xpw s LEU 114 Ca -0.07 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.51 1xpw s LEU 114 Cb -0.14 -1.62 0.07 0.00 0.03 0.00 0.00 46.19 44.53 1xpw s LEU 114 CO -0.01 0.06 0.25 -0.60 0.23 0.00 0.00 176.35 176.28 1xpw s ARG 115 N 0.96 2.63 -0.52 1.70 3.52 -0.62 -0.41 118.95 126.21 1xpw s ARG 115 Ca -0.02 -1.41 -0.22 0.00 -0.13 0.00 0.00 55.73 53.95 1xpw s ARG 115 Cb -0.15 -3.77 0.04 0.00 -1.56 0.00 0.00 34.95 29.52 1xpw s ARG 115 CO -0.01 -0.92 0.81 -0.06 -0.81 0.00 0.00 175.30 174.31 1xpw s PHE 116 N 1.44 2.91 -0.41 5.12 0.40 -0.20 -1.75 117.98 125.49 1xpw s PHE 116 Ca 0.03 -0.13 -0.08 0.00 -0.60 0.00 0.00 56.93 56.15 1xpw s PHE 116 Cb -0.22 -3.82 0.08 0.00 0.51 0.00 0.00 43.02 39.56 1xpw s PHE 116 CO 0.03 -1.18 0.23 0.42 0.70 0.00 0.00 175.22 175.42 1xpw s ILE 117 N 3.42 4.04 -0.75 0.64 1.01 0.43 -1.63 121.20 128.35 1xpw s ILE 117 Ca 0.26 -1.45 -0.21 0.00 0.00 0.00 0.00 60.65 59.25 1xpw s ILE 117 Cb -0.14 -3.48 0.09 0.00 0.01 0.00 0.00 42.46 38.94 1xpw s ILE 117 CO 0.18 -0.49 1.02 -0.63 0.00 0.00 0.00 174.94 175.02 1xpw s ILE 118 N 1.38 4.47 -0.06 2.92 1.01 0.46 -0.36 121.20 131.03 1xpw s ILE 118 Ca 0.03 -0.81 -0.24 0.00 0.00 0.00 0.00 60.65 59.63 1xpw s ILE 118 Cb -0.23 -4.72 -0.19 0.00 0.01 0.00 0.00 42.46 37.33 1xpw s ILE 118 CO 0.01 -1.47 0.97 0.58 0.00 0.00 0.00 174.94 175.03 1xpw h VAL 119 N 5.95 1.24 -3.78 2.92 2.07 -1.65 -2.25 116.25 120.75 1xpw h VAL 119 Ca -0.13 -1.41 -0.32 0.00 0.82 0.00 0.00 66.70 65.66 1xpw h VAL 119 Cb 1.05 2.10 -0.18 0.00 -1.52 0.00 0.00 31.29 32.74 1xpw h VAL 119 CO 1.16 0.33 -0.74 -0.44 0.02 0.00 0.00 177.57 177.91 1xpw s SER 120 N -5.72 1.40 0.10 0.57 0.01 -1.26 -4.42 113.70 104.38 1xpw s SER 120 Ca -0.15 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.36 1xpw s SER 120 Cb 0.00 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 1xpw s SER 120 CO 0.58 -0.24 -0.08 0.00 0.41 0.00 0.00 173.24 173.92 1xpw s ALA 121 N -2.24 1.03 -1.31 1.44 0.00 -1.26 -0.58 121.76 118.84 1xpw s ALA 121 Ca 0.03 -1.31 0.25 0.00 0.00 0.00 0.00 51.96 50.94 1xpw s ALA 121 Cb -0.04 0.12 1.23 0.00 0.00 0.00 0.00 23.12 24.43 1xpw s ALA 121 CO 0.00 -0.18 1.85 1.19 0.00 0.00 0.00 175.76 178.62 1xpw n PHE 122 N 0.11 0.00 -4.37 0.00 3.72 0.21 -4.80 117.46 112.34 1xpw n PHE 122 Ca -0.13 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.06 1xpw n PHE 122 Cb 0.60 -0.35 -0.08 0.00 -0.94 0.00 0.00 39.48 38.71 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 -2.69 1.97 0.29 4.37 2.15 -1.26 -5.05 116.67 116.45 1xpw s ASP 123 Ca 0.21 -1.67 0.20 0.00 0.43 0.00 0.00 52.55 51.72 1xpw s ASP 123 Cb 0.17 0.49 0.12 0.00 -0.30 0.00 0.00 42.92 43.40 1xpw s ASP 123 CO 0.41 -0.97 1.31 -0.74 -0.17 0.00 0.00 175.17 175.01 1xpw h HIS 124 N 2.05 0.00 -3.42 -5.34 6.17 -1.97 -3.43 115.15 109.22 1xpw h HIS 124 Ca -0.31 0.00 -0.65 0.00 0.71 0.00 0.00 60.37 60.12 1xpw h HIS 124 Cb 1.25 0.00 -0.26 0.00 2.52 0.00 0.00 27.41 30.92 1xpw h HIS 124 CO 1.42 0.18 -0.70 -0.06 0.71 0.00 0.00 177.93 179.48 1xpw s PHE 125 N -3.17 2.98 -0.33 5.26 0.08 -1.26 -4.35 117.98 117.19 1xpw s PHE 125 Ca 0.03 -0.73 -0.03 0.00 0.12 0.00 0.00 56.93 56.32 1xpw s PHE 125 Cb 0.07 -2.08 0.05 0.00 -0.57 0.00 0.00 43.02 40.49 1xpw s PHE 125 CO 0.74 -0.41 0.06 0.00 -0.10 0.00 0.00 175.22 175.51 1xpw s ALA 126 N 1.23 2.93 -0.11 5.36 0.00 -1.26 -4.82 121.76 125.09 1xpw s ALA 126 Ca 0.03 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1xpw s ALA 126 Cb -0.14 -2.10 -0.02 0.00 0.00 0.00 0.00 23.12 20.85 1xpw s ALA 126 CO -0.00 -1.36 -0.10 -1.54 0.00 0.00 0.00 175.76 172.76 1xpw s SER 127 N 1.38 4.31 -0.15 0.00 1.04 -1.24 -3.65 113.70 115.38 1xpw s SER 127 Ca -0.02 -0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.14 1xpw s SER 127 Cb -0.20 -1.41 -0.04 0.00 0.10 0.00 0.00 66.02 64.47 1xpw s SER 127 CO -0.00 0.24 0.07 0.54 0.98 0.00 0.00 173.24 175.06 1xpw s VAL 128 N -0.09 4.84 -0.25 5.02 0.11 -0.44 -1.99 120.40 127.60 1xpw s VAL 128 Ca -0.01 -0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 58.90 1xpw s VAL 128 Cb -0.14 -3.14 -0.15 0.00 -1.53 0.00 0.00 36.38 31.42 1xpw s VAL 128 CO 0.03 0.52 -0.17 1.41 -3.33 0.00 0.00 175.10 173.56 1xpw n HIS 129 N 2.96 0.29 -3.66 1.54 8.25 -0.49 -2.53 115.22 121.59 1xpw n HIS 129 Ca -0.18 0.10 -0.09 0.00 -0.26 0.00 0.00 57.72 57.30 1xpw n HIS 129 Cb 0.53 -1.03 -0.08 0.00 1.12 0.00 0.00 29.99 30.53 1xpw n HIS 129 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1xpw s SER 130 N -7.15 -0.78 0.03 0.41 1.04 -0.77 -4.82 113.70 101.66 1xpw s SER 130 Ca -0.35 1.31 0.03 0.00 0.48 0.00 0.00 55.95 57.42 1xpw s SER 130 Cb 0.11 1.21 -0.02 0.00 0.10 0.00 0.00 66.02 67.43 1xpw s SER 130 CO 0.55 -0.22 -0.10 0.68 0.98 0.00 0.00 173.24 175.13 1xpw s VAL 131 N 1.31 0.78 -0.14 5.02 -7.23 -1.26 -0.74 120.40 118.14 1xpw s VAL 131 Ca -0.08 -0.89 -0.13 0.00 -1.81 0.00 0.00 61.98 59.07 1xpw s VAL 131 Cb -0.06 -0.74 0.04 0.00 0.56 0.00 0.00 36.38 36.18 1xpw s VAL 131 CO -0.14 -0.12 0.38 -0.44 -0.31 0.00 0.00 175.10 174.48 1xpw s SER 132 N -1.12 -0.40 -0.34 4.85 0.01 -0.58 -4.82 113.70 111.29 1xpw s SER 132 Ca -0.03 0.77 -0.10 0.00 1.31 0.00 0.00 55.95 57.91 1xpw s SER 132 Cb -0.08 0.78 0.02 0.00 0.21 0.00 0.00 66.02 66.95 1xpw s SER 132 CO 0.01 -0.13 0.16 0.00 0.41 0.00 0.00 173.24 173.69 1xpw s ALA 133 N 0.24 3.22 -0.34 1.44 0.00 -1.26 -0.41 121.76 124.65 1xpw s ALA 133 Ca -0.00 -1.60 -0.15 0.00 0.00 0.00 0.00 51.96 50.21 1xpw s ALA 133 Cb -0.03 -2.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.64 1xpw s ALA 133 CO 0.00 -1.19 0.36 -1.21 0.00 0.00 0.00 175.76 173.73 1xpw s GLU 134 N 1.55 3.59 0.00 0.00 2.02 0.48 -0.14 118.70 126.19 1xpw s GLU 134 Ca 0.02 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.63 1xpw s GLU 134 Cb -0.18 -3.80 0.00 0.00 0.10 0.00 0.00 34.13 30.25 1xpw s GLU 134 CO 0.06 -0.51 0.00 0.41 0.02 0.00 0.00 175.26 175.23 1xpw n GLY 135 N 4.94 3.59 3.00 -1.39 0.00 -1.19 -1.00 105.19 113.14 1xpw n GLY 135 Ca -0.09 -0.26 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 1xpw n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xpw s THR 136 N -0.37 0.41 -0.67 2.61 -4.23 -0.70 -1.60 115.64 111.10 1xpw s THR 136 Ca 0.00 -0.65 -0.22 0.00 -1.18 0.00 0.00 61.69 59.64 1xpw s THR 136 Cb 0.00 -0.43 0.08 0.00 1.34 0.00 0.00 72.50 73.48 1xpw s THR 136 CO 0.00 -0.17 0.95 -0.69 -0.54 0.00 0.00 174.62 174.17 1xpw s VAL 137 N -0.80 4.37 0.15 2.29 1.01 -1.26 -1.78 120.40 124.38 1xpw s VAL 137 Ca -0.05 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.30 1xpw s VAL 137 Cb -0.06 -4.68 0.01 0.00 0.00 0.00 0.00 36.38 31.65 1xpw s VAL 137 CO 0.00 -1.44 1.80 0.58 0.00 0.00 0.00 175.10 176.04 1xpw h VAL 138 N 5.97 1.12 -2.46 2.92 2.07 -1.58 -3.43 116.25 120.84 1xpw h VAL 138 Ca -0.27 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 1xpw h VAL 138 Cb 1.07 0.56 -0.24 0.00 -1.52 0.00 0.00 31.29 31.15 1xpw h VAL 138 CO 1.18 0.11 -0.17 -0.94 0.02 0.00 0.00 177.57 177.77 1xpw s SER 139 N -5.59 -0.61 0.00 0.57 1.04 -0.90 -5.06 113.70 103.15 1xpw s SER 139 Ca -0.13 1.07 0.00 0.00 0.48 0.00 0.00 55.95 57.37 1xpw s SER 139 Cb 0.11 0.99 0.00 0.00 0.10 0.00 0.00 66.02 67.22 1xpw s SER 139 CO 0.73 -0.20 0.00 -3.20 0.98 0.00 0.00 173.24 171.55 1xpw n ASN 140 N 3.81 0.00 -3.64 7.02 5.15 -1.26 -1.55 115.26 124.78 1xpw n ASN 140 Ca -0.19 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.72 1xpw n ASN 140 Cb 0.56 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.75 1xpw n ASN 140 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1xpw s LEU 141 N 0.00 -0.47 -0.69 1.20 2.96 -1.26 -4.07 118.68 116.35 1xpw s LEU 141 Ca 0.00 0.85 -0.26 0.00 -0.22 0.00 0.00 54.13 54.50 1xpw s LEU 141 Cb 0.00 1.83 -0.06 0.00 0.50 0.00 0.00 46.19 48.46 1xpw s LEU 141 CO 0.00 -0.14 2.11 -0.94 -1.32 0.00 0.00 176.35 176.06 1xpw s SER 142 N 0.64 4.78 0.00 3.68 1.04 -1.26 -5.19 113.70 117.39 1xpw s SER 142 Ca -0.01 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.64 1xpw s SER 142 Cb -0.05 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1xpw s SER 142 CO -0.10 -2.86 0.00 -1.20 0.98 0.00 0.00 173.24 170.06