#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 -3.50 -3.50 2.12 1.74 -1.26 -4.93 116.66 107.33 1xpw n ARG 2 Ca 0.00 0.56 -0.15 0.00 -0.77 0.00 0.00 57.85 57.48 1xpw n ARG 2 Cb 0.00 -5.27 -0.12 0.00 -1.02 0.00 0.00 32.46 26.05 1xpw n ARG 2 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1xpw s LYS 3 N -5.84 0.21 -0.09 5.56 2.20 -1.23 -4.05 119.74 116.50 1xpw s LYS 3 Ca 0.34 0.41 -0.20 0.00 -0.36 0.00 0.00 55.97 56.16 1xpw s LYS 3 Cb -0.17 -0.76 0.05 0.00 -1.51 0.00 0.00 37.83 35.44 1xpw s LYS 3 CO 0.41 -0.56 0.48 -1.50 -0.36 0.00 0.00 175.35 173.82 1xpw s ILE 4 N 2.40 0.02 -0.83 5.43 2.07 -1.26 -4.90 121.20 124.13 1xpw s ILE 4 Ca 0.07 -0.17 -0.25 0.00 -1.41 0.00 0.00 60.65 58.89 1xpw s ILE 4 Cb -0.15 -0.75 -0.01 0.00 0.13 0.00 0.00 42.46 41.68 1xpw s ILE 4 CO -0.12 -0.09 1.73 -1.81 -1.91 0.00 0.00 174.94 172.73 1xpw s ASP 5 N -0.69 5.60 0.00 4.50 1.11 -1.26 -3.72 116.67 122.21 1xpw s ASP 5 Ca -0.08 -0.55 0.26 0.00 0.18 0.00 0.00 52.55 52.36 1xpw s ASP 5 Cb -0.03 -2.55 1.58 0.00 1.07 0.00 0.00 42.92 42.98 1xpw s ASP 5 CO 0.04 -2.26 1.96 0.18 1.18 0.00 0.00 175.17 176.27 1xpw n LEU 6 N 11.95 0.00 -0.44 1.23 4.77 0.13 -2.75 117.00 131.89 1xpw n LEU 6 Ca 0.29 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.39 1xpw n LEU 6 Cb 0.49 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.84 1xpw n LEU 6 CO 0.66 0.00 0.58 0.00 -1.33 0.00 0.00 177.39 177.29 1xpw s LEU 8 N -2.36 4.16 0.43 0.00 1.43 -1.11 -4.57 118.68 116.66 1xpw s LEU 8 Ca 0.25 2.23 0.30 0.00 -1.03 0.00 0.00 54.13 55.88 1xpw s LEU 8 Cb 0.19 -4.09 1.36 0.00 0.03 0.00 0.00 46.19 43.68 1xpw s LEU 8 CO 0.48 -0.63 1.90 0.28 0.23 0.00 0.00 176.35 178.62 1xpw h SER 9 N 2.55 0.00 0.78 2.29 0.02 -0.89 0.09 113.55 118.39 1xpw h SER 9 Ca -0.49 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.44 1xpw h SER 9 Cb 1.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.77 1xpw h SER 9 CO 0.62 0.00 -0.11 0.28 -1.14 0.00 0.00 176.83 176.48 1xpw h SER 10 N 0.00 0.00 0.88 3.07 0.02 -1.87 -2.09 113.55 113.56 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 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1xpw h SER 10 CO 0.00 0.11 -0.72 -0.33 -1.14 0.00 0.00 176.83 174.75 1xpw h GLU 11 N 0.00 0.00 0.00 3.45 4.39 -1.30 -3.47 114.58 117.64 1xpw h GLU 11 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xpw h GLU 11 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1xpw h GLU 11 CO 0.01 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.27 1xpw n GLY 12 N 1.30 0.94 3.79 -3.84 0.00 -0.78 -5.02 105.19 101.58 1xpw n GLY 12 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.99 7.28 -0.02 1.61 0.01 -0.97 -4.45 113.70 115.17 1xpw s SER 13 Ca 0.00 1.73 0.04 0.00 1.31 0.00 0.00 55.95 59.03 1xpw s SER 13 Cb 0.00 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 1xpw s SER 13 CO 0.00 -0.03 -0.14 -0.70 0.41 0.00 0.00 173.24 172.78 1xpw s GLU 14 N -2.00 1.23 -0.16 12.44 2.12 0.50 -3.81 118.70 129.02 1xpw s GLU 14 Ca 0.48 -0.49 -0.20 0.00 0.36 0.00 0.00 54.97 55.12 1xpw s GLU 14 Cb -0.18 -1.16 -0.03 0.00 0.26 0.00 0.00 34.13 33.02 1xpw s GLU 14 CO 0.23 0.26 0.57 0.54 -0.54 0.00 0.00 175.26 176.33 1xpw s VAL 15 N -0.18 5.08 -0.20 3.70 0.11 -1.26 -0.45 120.40 127.20 1xpw s VAL 15 Ca 0.02 1.11 0.01 0.00 -2.93 0.00 0.00 61.98 60.19 1xpw s VAL 15 Cb -0.07 -3.90 0.04 0.00 -1.53 0.00 0.00 36.38 30.92 1xpw s VAL 15 CO 0.00 0.19 -0.10 -0.51 -3.33 0.00 0.00 175.10 171.36 1xpw s ILE 16 N 1.41 1.61 0.13 7.04 2.07 0.50 -4.96 121.20 129.00 1xpw s ILE 16 Ca 0.28 -0.98 0.00 0.00 -1.41 0.00 0.00 60.65 58.54 1xpw s ILE 16 Cb -0.16 -1.69 0.00 0.00 0.13 0.00 0.00 42.46 40.74 1xpw s ILE 16 CO 0.11 0.17 0.00 0.18 -1.91 0.00 0.00 174.94 173.49 1xpw n LEU 17 N 4.70 -3.04 -3.78 8.50 4.77 -1.26 -1.92 117.00 124.97 1xpw n LEU 17 Ca -0.15 1.03 -0.13 0.00 -0.03 0.00 0.00 56.01 56.73 1xpw n LEU 17 Cb 0.47 -0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 1xpw n LEU 17 CO 0.20 -0.14 -0.02 0.00 -1.33 0.00 0.00 177.39 176.10 1xpw s ALA 18 N -1.53 -0.72 0.27 -1.18 0.00 -1.26 -2.70 121.76 114.65 1xpw s ALA 18 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1xpw s ALA 18 Cb 0.00 -0.13 0.38 0.00 0.00 0.00 0.00 23.12 23.38 1xpw s ALA 18 CO 0.00 -0.21 1.75 0.00 0.00 0.00 0.00 175.76 177.30 1xpw h THR 19 N 4.20 1.25 -4.02 0.00 1.03 -1.85 -3.43 112.91 110.09 1xpw h THR 19 Ca -0.29 -1.09 -0.49 0.00 -0.01 0.00 0.00 66.41 64.53 1xpw h THR 19 Cb 1.18 1.09 -0.24 0.00 -1.07 0.00 0.00 68.15 69.11 1xpw h THR 19 CO 0.37 0.37 -0.81 -0.44 -0.01 0.00 0.00 175.52 175.00 1xpw s SER 20 N -6.73 2.05 -0.23 0.00 0.01 -1.26 -4.95 113.70 102.58 1xpw s SER 20 Ca -0.08 -0.56 -0.03 0.00 1.31 0.00 0.00 55.95 56.59 1xpw s SER 20 Cb 0.14 -0.12 0.10 0.00 0.21 0.00 0.00 66.02 66.35 1xpw s SER 20 CO 0.80 0.04 0.21 -0.55 0.41 0.00 0.00 173.24 174.15 1xpw s SER 21 N -1.46 1.90 0.09 2.44 0.15 -1.26 -4.86 113.70 110.69 1xpw s SER 21 Ca 0.03 -0.56 0.03 0.00 0.70 0.00 0.00 55.95 56.15 1xpw s SER 21 Cb -0.09 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.41 1xpw s SER 21 CO 0.02 -0.36 0.12 -0.62 1.20 0.00 0.00 173.24 173.60 1xpw s ASP 22 N 2.28 5.71 0.06 5.45 2.15 -1.24 -5.01 116.67 126.08 1xpw s ASP 22 Ca 0.07 0.04 0.24 0.00 0.43 0.00 0.00 52.55 53.33 1xpw s ASP 22 Cb -0.15 -1.59 0.25 0.00 -0.30 0.00 0.00 42.92 41.13 1xpw s ASP 22 CO -0.21 0.16 1.22 -0.62 -0.17 0.00 0.00 175.17 175.55 1xpw n GLU 23 N 0.32 0.22 0.00 4.34 1.02 -1.26 -2.88 120.64 122.41 1xpw n GLU 23 Ca -0.08 0.03 -0.17 0.00 -0.02 0.00 0.00 57.16 56.93 1xpw n GLU 23 Cb 0.52 -1.60 -0.14 0.00 -0.02 0.00 0.00 31.44 30.19 1xpw n GLU 23 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1xpw h LYS 24 N 0.00 0.18 -3.29 3.49 1.57 -2.01 -3.40 116.57 113.11 1xpw h LYS 24 Ca 0.00 -0.30 -0.65 0.00 -1.87 0.00 0.00 60.65 57.82 1xpw h LYS 24 Cb 0.68 0.11 -0.39 0.00 0.08 0.00 0.00 32.23 32.71 1xpw h LYS 24 CO 0.00 0.96 -0.46 -1.01 -0.57 0.00 0.00 179.45 178.37 1xpw s HIS 25 N -2.58 3.50 0.09 -1.35 3.76 -1.25 -4.96 115.29 112.50 1xpw s HIS 25 Ca -0.15 -3.14 -0.31 0.00 -0.15 0.00 0.00 55.06 51.32 1xpw s HIS 25 Cb 0.07 -2.92 -0.08 0.00 1.11 0.00 0.00 32.58 30.76 1xpw s HIS 25 CO 0.80 -0.68 1.52 -2.14 -0.85 0.00 0.00 174.74 173.38 1xpw s PRO 26 N -0.89 4.25 0.53 8.40 0.02 -1.14 -3.60 135.00 142.56 1xpw s PRO 26 Ca 0.22 2.20 0.23 0.00 0.02 0.00 0.00 61.00 63.67 1xpw s PRO 26 Cb -0.14 -3.41 1.37 0.00 0.02 0.00 0.00 34.50 32.35 1xpw s PRO 26 CO -0.09 -0.60 2.04 -1.35 -0.33 0.00 0.00 177.00 176.67 1xpw h PRO 27 N 7.50 0.00 0.00 5.54 0.11 -1.89 0.32 132.00 143.58 1xpw h PRO 27 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1xpw h PRO 27 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xpw h PRO 27 CO 0.90 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.62 1xpw h GLU 28 N 0.00 0.00 -0.00 1.05 3.07 -1.94 -1.00 114.58 115.76 1xpw h GLU 28 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1xpw h GLU 28 Cb 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1xpw h GLU 28 CO -0.00 0.00 -0.08 -1.71 -1.40 0.00 0.00 179.01 175.81 1xpw n ASN 29 N -2.76 0.55 0.18 1.42 5.15 0.10 -3.30 115.26 116.61 1xpw n ASN 29 Ca -0.02 -0.76 0.04 0.00 -0.60 0.00 0.00 54.58 53.24 1xpw n ASN 29 Cb 0.09 -0.05 0.34 0.00 -0.53 0.00 0.00 39.78 39.64 1xpw n ASN 29 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1xpw h ILE 30 N 0.74 1.06 -0.44 -1.44 2.10 -1.32 -2.23 117.51 115.98 1xpw h ILE 30 Ca 0.00 -1.49 0.00 0.00 1.08 0.00 0.00 64.86 64.45 1xpw h ILE 30 Cb 0.33 1.86 0.00 0.00 -1.09 0.00 0.00 36.82 37.92 1xpw h ILE 30 CO 0.00 0.39 0.00 2.30 -1.08 0.00 0.00 178.15 179.76 1xpw n ILE 31 N -3.73 0.64 -0.06 2.19 -5.35 -1.21 -4.37 119.36 107.48 1xpw n ILE 31 Ca -0.01 -0.82 -0.05 0.00 -0.27 0.00 0.00 62.75 61.60 1xpw n ILE 31 Cb 0.48 0.84 -0.03 0.00 -1.74 0.00 0.00 39.64 39.19 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 3.97 0.00 0.00 7.28 3.58 -1.47 0.10 116.42 129.88 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 0.92 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1xpw h ASP 32 CO 0.00 0.70 0.00 0.61 -2.88 0.00 0.00 179.24 177.67 1xpw n GLY 33 N 1.69 0.63 3.72 -0.78 0.00 -1.15 -4.81 105.19 104.50 1xpw n GLY 33 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.96 7.20 0.00 1.61 0.01 -1.26 -4.93 114.94 115.61 1xpw s ASN 34 Ca 0.00 1.44 0.00 0.00 -0.71 0.00 0.00 52.86 53.59 1xpw s ASN 34 Cb 0.00 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 39.17 1xpw s ASN 34 CO 0.00 -0.12 0.75 -2.65 -1.51 0.00 0.00 177.10 173.56 1xpw n PRO 35 N 3.50 0.92 -0.10 -0.60 -0.02 -1.26 -3.59 135.00 133.86 1xpw n PRO 35 Ca 0.01 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.35 1xpw n PRO 35 Cb 0.51 -1.17 -0.03 0.00 -0.02 0.00 0.00 33.50 32.78 1xpw n PRO 35 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xpw h GLU 36 N 0.03 0.90 -2.53 -0.52 4.81 -1.99 -3.43 114.58 111.84 1xpw h GLU 36 Ca 0.00 -0.52 -0.12 0.00 -0.13 0.00 0.00 59.36 58.59 1xpw h GLU 36 Cb 0.17 0.04 -0.29 0.00 0.63 0.00 0.00 28.75 29.31 1xpw h GLU 36 CO 0.00 1.17 -0.41 -0.08 -0.73 0.00 0.00 179.01 178.96 1xpw s THR 37 N -4.26 -0.60 0.33 0.32 -1.32 -1.24 -5.16 115.64 103.71 1xpw s THR 37 Ca -0.11 0.17 0.08 0.00 -1.21 0.00 0.00 61.69 60.63 1xpw s THR 37 Cb 0.10 -0.64 -0.04 0.00 -1.51 0.00 0.00 72.50 70.41 1xpw s THR 37 CO 0.88 0.07 0.10 0.72 -2.21 0.00 0.00 174.62 174.18 1xpw s PHE 38 N 2.57 2.68 0.22 9.09 -0.12 -1.26 -4.85 117.98 126.31 1xpw s PHE 38 Ca -0.00 -0.38 -0.20 0.00 -0.05 0.00 0.00 56.93 56.30 1xpw s PHE 38 Cb -0.12 -1.58 -0.08 0.00 -0.63 0.00 0.00 43.02 40.61 1xpw s PHE 38 CO -0.12 0.39 0.73 -0.46 -0.05 0.00 0.00 175.22 175.71 1xpw s TRP 39 N -2.44 3.66 -0.08 3.49 -0.00 -1.25 -4.77 118.94 117.56 1xpw s TRP 39 Ca 0.37 1.41 -0.09 0.00 -0.00 0.00 0.00 56.10 57.78 1xpw s TRP 39 Cb -0.02 -2.63 0.02 0.00 -0.00 0.00 0.00 33.47 30.84 1xpw s TRP 39 CO 0.22 0.34 0.25 -0.08 -0.00 0.00 0.00 176.95 177.68 1xpw s THR 40 N -1.50 0.01 0.21 5.86 -1.32 -1.26 -1.65 115.64 115.99 1xpw s THR 40 Ca 0.43 -0.10 -0.30 0.00 -1.21 0.00 0.00 61.69 60.51 1xpw s THR 40 Cb -0.17 -0.39 -0.08 0.00 -1.51 0.00 0.00 72.50 70.35 1xpw s THR 40 CO 0.21 -0.05 0.99 -0.89 -2.21 0.00 0.00 174.62 172.67 1xpw s THR 41 N -0.11 4.05 -2.10 5.08 2.01 0.57 -4.81 115.64 120.32 1xpw s THR 41 Ca -0.02 1.94 0.15 0.00 0.31 0.00 0.00 61.69 64.07 1xpw s THR 41 Cb -0.03 -4.24 0.38 0.00 0.01 0.00 0.00 72.50 68.63 1xpw s THR 41 CO 0.01 0.41 1.45 0.35 -0.69 0.00 0.00 174.62 176.15 1xpw n THR 42 N 1.82 0.17 0.00 -0.82 -2.24 -1.26 -3.74 114.28 108.21 1xpw n THR 42 Ca -0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1xpw n THR 42 Cb 0.47 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1xpw n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xpw n GLY 43 N 0.93 0.73 3.03 3.38 0.00 -1.25 -4.93 105.19 107.07 1xpw n GLY 43 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 0.55 2.32 -0.07 1.61 0.00 -1.26 -5.00 119.30 117.44 1xpw s MET 44 Ca 0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 55.69 54.93 1xpw s MET 44 Cb 0.00 -2.33 -0.03 0.00 0.00 0.00 0.00 34.83 32.47 1xpw s MET 44 CO 0.00 -0.32 0.01 -0.06 0.00 0.00 0.00 175.02 174.66 1xpw s PHE 45 N 1.40 3.18 0.73 4.11 0.40 -1.26 -3.76 117.98 122.79 1xpw s PHE 45 Ca 0.02 0.20 -0.12 0.00 -0.60 0.00 0.00 56.93 56.43 1xpw s PHE 45 Cb -0.14 -1.78 0.03 0.00 0.51 0.00 0.00 43.02 41.64 1xpw s PHE 45 CO -0.10 0.49 1.11 -2.14 0.70 0.00 0.00 175.22 175.28 1xpw s PRO 46 N -1.05 2.61 -0.34 0.24 0.02 -1.26 -5.13 135.00 130.09 1xpw s PRO 46 Ca 0.15 0.42 -0.08 0.00 0.02 0.00 0.00 61.00 61.51 1xpw s PRO 46 Cb -0.11 -2.00 0.03 0.00 0.02 0.00 0.00 34.50 32.43 1xpw s PRO 46 CO 0.04 -1.20 0.14 -0.65 -0.33 0.00 0.00 177.00 175.00 1xpw s GLN 47 N -5.37 2.85 -0.05 5.54 -0.21 0.49 -4.97 119.66 117.94 1xpw s GLN 47 Ca 0.59 -1.04 0.05 0.00 0.02 0.00 0.00 55.36 54.98 1xpw s GLN 47 Cb -0.11 -3.55 -0.00 0.00 1.00 0.00 0.00 33.01 30.34 1xpw s GLN 47 CO 0.52 -0.61 -0.20 -1.83 -2.12 0.00 0.00 175.29 171.05 1xpw s GLU 48 N 1.50 2.05 -0.03 2.91 -1.05 -1.26 -0.33 118.70 122.48 1xpw s GLU 48 Ca 0.01 -0.70 -0.18 0.00 -0.15 0.00 0.00 54.97 53.95 1xpw s GLU 48 Cb -0.19 -1.75 0.04 0.00 -0.44 0.00 0.00 34.13 31.79 1xpw s GLU 48 CO 0.04 0.28 0.40 -0.59 0.95 0.00 0.00 175.26 176.34 1xpw s PHE 49 N 0.01 -0.31 0.03 4.83 -0.71 -0.98 -2.35 117.98 118.49 1xpw s PHE 49 Ca -0.05 0.54 0.08 0.00 -1.04 0.00 0.00 56.93 56.46 1xpw s PHE 49 Cb -0.12 0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.83 1xpw s PHE 49 CO 0.03 -0.43 -0.24 0.42 -1.34 0.00 0.00 175.22 173.66 1xpw s ILE 50 N -1.16 2.30 -0.20 -4.49 1.01 -0.81 -1.02 121.20 116.83 1xpw s ILE 50 Ca -0.12 -1.28 0.01 0.00 0.00 0.00 0.00 60.65 59.26 1xpw s ILE 50 Cb -0.04 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.56 1xpw s ILE 50 CO 0.05 0.40 -0.17 -0.63 0.00 0.00 0.00 174.94 174.59 1xpw s ILE 51 N -0.80 2.21 -0.28 2.92 1.01 0.47 -0.37 121.20 126.36 1xpw s ILE 51 Ca 0.12 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 1xpw s ILE 51 Cb -0.10 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 1xpw s ILE 51 CO 0.02 0.45 0.15 0.00 0.00 0.00 0.00 174.94 175.56 1xpw h PHE 53 N 8.33 0.00 -0.21 0.00 0.04 -1.33 0.14 116.94 123.91 1xpw h PHE 53 Ca -0.35 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.33 1xpw h PHE 53 Cb 1.17 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.29 1xpw h PHE 53 CO 0.70 0.01 -0.08 0.72 -0.60 0.00 0.00 178.31 179.06 1xpw n HIS 54 N -3.11 0.00 -3.48 -0.55 8.25 -1.26 -3.75 115.22 111.33 1xpw n HIS 54 Ca 0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.33 1xpw n HIS 54 Cb 0.33 -2.00 -0.04 0.00 1.12 0.00 0.00 29.99 29.41 1xpw n HIS 54 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1xpw s LYS 55 N -2.12 1.10 -0.34 -0.41 2.20 -1.26 -4.35 119.74 114.56 1xpw s LYS 55 Ca 0.00 -0.10 -0.22 0.00 -0.36 0.00 0.00 55.97 55.29 1xpw s LYS 55 Cb 0.00 0.51 0.00 0.00 -1.51 0.00 0.00 37.83 36.83 1xpw s LYS 55 CO 0.00 -0.42 0.74 -1.01 -0.36 0.00 0.00 175.35 174.31 1xpw s HIS 56 N -2.41 3.16 0.01 4.03 3.76 -0.59 -4.67 115.29 118.57 1xpw s HIS 56 Ca -0.04 0.62 0.06 0.00 -0.15 0.00 0.00 55.06 55.55 1xpw s HIS 56 Cb -0.01 -3.25 -0.02 0.00 1.11 0.00 0.00 32.58 30.42 1xpw s HIS 56 CO -0.02 -0.63 -0.19 0.14 -0.85 0.00 0.00 174.74 173.19 1xpw s VAL 57 N 2.93 1.53 -0.51 -0.90 -7.23 -1.26 -0.31 120.40 114.64 1xpw s VAL 57 Ca 0.30 -0.93 -0.26 0.00 -1.81 0.00 0.00 61.98 59.28 1xpw s VAL 57 Cb -0.14 -1.29 0.03 0.00 0.56 0.00 0.00 36.38 35.54 1xpw s VAL 57 CO 0.14 0.34 0.99 -0.13 -0.31 0.00 0.00 175.10 176.13 1xpw s ARG 58 N -0.70 3.48 -0.31 4.82 1.81 0.53 -3.99 118.95 124.59 1xpw s ARG 58 Ca 0.07 0.07 -0.16 0.00 -1.72 0.00 0.00 55.73 54.00 1xpw s ARG 58 Cb -0.08 -3.98 -0.02 0.00 -0.45 0.00 0.00 34.95 30.42 1xpw s ARG 58 CO 0.00 -1.39 0.41 0.42 -0.68 0.00 0.00 175.30 174.06 1xpw s ILE 59 N 4.05 5.13 0.00 1.52 1.01 -0.27 -2.33 121.20 130.32 1xpw s ILE 59 Ca 0.37 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.39 1xpw s ILE 59 Cb -0.10 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.56 1xpw s ILE 59 CO 0.24 -0.01 0.62 -0.62 0.00 0.00 0.00 174.94 175.17 1xpw n GLU 60 N 5.45 0.66 -3.65 2.79 1.02 -0.81 -0.72 120.64 125.38 1xpw n GLU 60 Ca -0.08 -0.80 -0.11 0.00 -0.02 0.00 0.00 57.16 56.15 1xpw n GLU 60 Cb 0.50 -0.89 -0.08 0.00 -0.02 0.00 0.00 31.44 30.96 1xpw n GLU 60 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1xpw s ARG 61 N -0.36 0.72 -0.20 3.49 6.06 -1.08 -3.65 118.95 123.95 1xpw s ARG 61 Ca 0.00 1.00 0.01 0.00 -2.50 0.00 0.00 55.73 54.24 1xpw s ARG 61 Cb 0.00 0.27 0.04 0.00 0.06 0.00 0.00 34.95 35.32 1xpw s ARG 61 CO 0.00 -0.11 -0.12 -0.51 -2.50 0.00 0.00 175.30 172.06 1xpw s LEU 62 N 0.82 2.29 -0.56 -0.88 1.43 0.51 -0.37 118.68 121.93 1xpw s LEU 62 Ca -0.04 -0.86 -0.19 0.00 -1.03 0.00 0.00 54.13 52.01 1xpw s LEU 62 Cb -0.05 -1.27 0.08 0.00 0.03 0.00 0.00 46.19 44.98 1xpw s LEU 62 CO -0.07 -0.13 0.69 -0.69 0.23 0.00 0.00 176.35 176.39 1xpw s VAL 63 N 1.37 4.80 -0.47 -1.59 1.01 0.01 -0.63 120.40 124.91 1xpw s VAL 63 Ca -0.01 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 1xpw s VAL 63 Cb -0.16 -4.42 0.07 0.00 0.00 0.00 0.00 36.38 31.87 1xpw s VAL 63 CO -0.09 -1.01 0.39 -0.63 0.00 0.00 0.00 175.10 173.76 1xpw s ILE 64 N 2.79 5.20 -0.39 2.22 -1.09 -0.94 -1.76 121.20 127.22 1xpw s ILE 64 Ca 0.14 -1.05 -0.07 0.00 -2.23 0.00 0.00 60.65 57.44 1xpw s ILE 64 Cb -0.21 -4.10 0.07 0.00 -1.58 0.00 0.00 42.46 36.64 1xpw s ILE 64 CO 0.09 -0.56 0.21 -1.10 -1.23 0.00 0.00 174.94 172.35 1xpw s GLN 65 N 1.64 2.52 0.14 2.79 -0.21 0.45 -1.36 119.66 125.61 1xpw s GLN 65 Ca 0.04 -1.44 -0.01 0.00 0.02 0.00 0.00 55.36 53.96 1xpw s GLN 65 Cb -0.24 -3.66 -0.04 0.00 1.00 0.00 0.00 33.01 30.07 1xpw s GLN 65 CO 0.07 -0.89 0.07 -1.54 -2.12 0.00 0.00 175.29 170.88 1xpw s SER 66 N 1.89 0.28 -0.15 5.90 1.04 -0.94 -0.33 113.70 121.40 1xpw s SER 66 Ca 0.02 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.24 1xpw s SER 66 Cb -0.22 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.19 1xpw s SER 66 CO 0.01 -0.75 -0.11 -0.31 0.98 0.00 0.00 173.24 173.07 1xpw s TYR 67 N -4.05 2.86 0.00 5.02 2.02 0.59 -1.13 117.35 122.67 1xpw s TYR 67 Ca 0.25 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 1xpw s TYR 67 Cb 0.07 -1.89 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 1xpw s TYR 67 CO 0.02 -0.24 0.00 1.19 -1.57 0.00 0.00 175.55 174.96 1xpw n PHE 68 N 3.69 0.00 -3.16 2.71 3.72 -1.26 -3.62 117.46 119.54 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 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 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 -4.61 118.33 108.40 1xpw n VAL 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xpw n VAL 69 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1xpw n VAL 69 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1xpw n GLN 70 N 0.00 0.00 -3.68 5.55 7.27 -1.21 -1.35 117.38 123.96 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 -0.10 0.00 2.41 0.00 0.00 30.24 32.55 1xpw n GLN 70 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1xpw s THR 71 N 0.00 3.68 -0.24 1.69 2.01 -0.53 -0.60 115.64 121.65 1xpw s THR 71 Ca 0.00 -1.94 0.01 0.00 0.31 0.00 0.00 61.69 60.07 1xpw s THR 71 Cb 0.00 -3.48 0.04 0.00 0.01 0.00 0.00 72.50 69.07 1xpw s THR 71 CO 0.00 -0.73 -0.11 -0.22 -0.69 0.00 0.00 174.62 172.88 1xpw s LEU 72 N 1.24 3.12 -0.25 4.42 2.96 -0.86 -0.76 118.68 128.55 1xpw s LEU 72 Ca 0.07 -1.09 -0.10 0.00 -0.22 0.00 0.00 54.13 52.79 1xpw s LEU 72 Cb -0.24 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 1xpw s LEU 72 CO -0.03 -0.14 0.15 -1.59 -1.32 0.00 0.00 176.35 173.43 1xpw s LYS 73 N 1.21 3.98 -0.29 1.98 -2.85 -0.00 -0.39 119.74 123.39 1xpw s LYS 73 Ca -0.03 -0.31 -0.18 0.00 -1.00 0.00 0.00 55.97 54.45 1xpw s LYS 73 Cb -0.18 -3.53 -0.02 0.00 -2.06 0.00 0.00 37.83 32.04 1xpw s LYS 73 CO -0.06 -0.03 0.50 0.42 0.10 0.00 0.00 175.35 176.28 1xpw s ILE 74 N 1.29 5.06 -0.14 3.79 1.01 -0.92 -1.14 121.20 130.15 1xpw s ILE 74 Ca 0.07 0.69 -0.05 0.00 0.00 0.00 0.00 60.65 61.36 1xpw s ILE 74 Cb -0.14 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1xpw s ILE 74 CO 0.06 0.01 0.03 -0.70 0.00 0.00 0.00 174.94 174.34 1xpw s GLU 75 N 2.31 3.57 0.01 2.79 2.12 0.42 -0.08 118.70 129.85 1xpw s GLU 75 Ca 0.20 -0.38 0.05 0.00 0.36 0.00 0.00 54.97 55.19 1xpw s GLU 75 Cb -0.16 -3.02 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 1xpw s GLU 75 CO 0.10 0.44 -0.11 -1.59 -0.54 0.00 0.00 175.26 173.57 1xpw s LYS 76 N -0.13 2.39 -0.05 4.30 -2.85 0.48 -0.38 119.74 123.50 1xpw s LYS 76 Ca 0.06 -0.81 -0.03 0.00 -1.00 0.00 0.00 55.97 54.19 1xpw s LYS 76 Cb -0.12 -2.39 0.02 0.00 -2.06 0.00 0.00 37.83 33.27 1xpw s LYS 76 CO 0.02 0.58 0.12 0.45 0.10 0.00 0.00 175.35 176.61 1xpw s SER 77 N -1.39 -0.10 -0.06 0.03 0.15 -0.47 -1.07 113.70 110.78 1xpw s SER 77 Ca 0.16 0.23 0.13 0.00 0.70 0.00 0.00 55.95 57.17 1xpw s SER 77 Cb -0.11 0.20 0.24 0.00 -1.71 0.00 0.00 66.02 64.65 1xpw s SER 77 CO 0.06 -0.07 1.11 0.35 1.20 0.00 0.00 173.24 175.90 1xpw n THR 78 N 3.39 0.80 0.18 6.45 -2.24 -1.26 -0.75 114.28 120.85 1xpw n THR 78 Ca -0.17 -1.31 0.06 0.00 -2.27 0.00 0.00 64.05 60.36 1xpw n THR 78 Cb 0.57 0.33 0.23 0.00 -2.10 0.00 0.00 70.33 69.36 1xpw n THR 78 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1xpw n SER 79 N -0.39 3.20 0.00 3.42 2.88 -1.26 -4.89 113.62 116.57 1xpw n SER 79 Ca 0.08 -2.26 0.00 0.00 -1.33 0.00 0.00 58.87 55.37 1xpw n SER 79 Cb 0.80 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1xpw n SER 79 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1xpw n LYS 80 N 0.69 0.00 -2.62 -1.46 0.00 -1.26 -4.85 118.16 108.66 1xpw n LYS 80 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 58.31 58.19 1xpw n LYS 80 Cb 0.60 -0.01 -0.01 0.00 0.00 0.00 0.00 35.03 35.61 1xpw n LYS 80 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1xpw s GLU 81 N 0.00 3.61 -0.66 1.64 0.41 -1.26 -4.95 118.70 117.48 1xpw s GLU 81 Ca 0.00 0.32 -0.05 0.00 -0.41 0.00 0.00 54.97 54.83 1xpw s GLU 81 Cb 0.00 -2.35 -0.10 0.00 -1.78 0.00 0.00 34.13 29.90 1xpw s GLU 81 CO 0.00 -0.20 2.34 -2.30 -0.49 0.00 0.00 175.26 174.62 1xpw n PRO 82 N -2.07 1.97 -4.27 0.39 -0.02 -1.26 -4.80 135.00 124.93 1xpw n PRO 82 Ca 0.02 -1.24 -0.16 0.00 -2.02 0.00 0.00 63.50 60.10 1xpw n PRO 82 Cb 0.55 -2.26 -0.09 0.00 -0.02 0.00 0.00 33.50 31.67 1xpw n PRO 82 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1xpw s VAL 83 N 2.66 0.18 -1.36 -1.45 -7.23 -1.26 -4.92 120.40 107.02 1xpw s VAL 83 Ca 0.44 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.55 1xpw s VAL 83 Cb 0.15 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1xpw s VAL 83 CO -0.02 0.00 0.46 0.47 -0.31 0.00 0.00 175.10 175.70 1xpw n ASP 84 N -0.72 -1.34 -4.71 4.85 8.00 -1.26 -4.55 116.55 116.83 1xpw n ASP 84 Ca 0.02 -1.06 -0.38 0.00 0.71 0.00 0.00 54.79 54.09 1xpw n ASP 84 Cb 0.65 -2.88 -0.07 0.00 -0.02 0.00 0.00 41.12 38.81 1xpw n ASP 84 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1xpw s PHE 85 N -3.88 3.46 0.22 1.24 -0.12 -1.26 -4.65 117.98 112.98 1xpw s PHE 85 Ca 0.12 0.75 0.10 0.00 -0.05 0.00 0.00 56.93 57.84 1xpw s PHE 85 Cb -0.05 -2.50 -0.05 0.00 -0.63 0.00 0.00 43.02 39.79 1xpw s PHE 85 CO 0.90 0.13 -0.19 -2.00 -0.05 0.00 0.00 175.22 174.01 1xpw s GLU 86 N 0.80 1.45 0.13 1.99 2.56 -0.23 -4.84 118.70 120.56 1xpw s GLU 86 Ca 0.22 -1.59 -0.31 0.00 0.00 0.00 0.00 54.97 53.29 1xpw s GLU 86 Cb -0.14 -1.48 -0.11 0.00 2.00 0.00 0.00 34.13 34.40 1xpw s GLU 86 CO 0.08 0.28 1.85 -1.14 -0.56 0.00 0.00 175.26 175.77 1xpw s GLN 87 N -3.24 4.13 0.00 4.30 0.74 -1.26 -0.39 119.66 123.94 1xpw s GLN 87 Ca 0.23 2.62 0.00 0.00 0.05 0.00 0.00 55.36 58.26 1xpw s GLN 87 Cb -0.04 -3.59 0.00 0.00 1.10 0.00 0.00 33.01 30.48 1xpw s GLN 87 CO 0.10 -0.85 0.00 1.87 -0.55 0.00 0.00 175.29 175.85 1xpw n TRP 88 N 5.68 0.00 -3.54 1.67 -0.00 0.89 -4.83 117.44 117.31 1xpw n TRP 88 Ca 0.18 0.00 -0.25 0.00 -0.00 0.00 0.00 57.50 57.43 1xpw n TRP 88 Cb 0.38 0.00 -0.15 0.00 -0.00 0.00 0.00 31.31 31.54 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 -0.59 -0.16 -0.11 5.87 -4.36 -1.08 -5.00 121.20 115.78 1xpw s ILE 89 Ca 0.00 -0.38 -0.13 0.00 -0.26 0.00 0.00 60.65 59.88 1xpw s ILE 89 Cb 0.00 -0.77 -0.05 0.00 1.25 0.00 0.00 42.46 42.89 1xpw s ILE 89 CO 0.00 -0.43 0.29 -1.83 0.24 0.00 0.00 174.94 173.21 1xpw s GLU 90 N 2.19 3.99 0.00 0.37 -1.05 -1.26 -2.15 118.70 120.78 1xpw s GLU 90 Ca 0.06 0.13 0.05 0.00 -0.15 0.00 0.00 54.97 55.06 1xpw s GLU 90 Cb -0.16 -3.32 -0.01 0.00 -0.44 0.00 0.00 34.13 30.20 1xpw s GLU 90 CO -0.21 0.48 -0.15 0.15 0.95 0.00 0.00 175.26 176.47 1xpw s LYS 91 N -0.27 1.19 -0.17 -4.83 -0.14 0.48 -4.95 119.74 111.03 1xpw s LYS 91 Ca 0.18 -0.62 -0.15 0.00 -1.36 0.00 0.00 55.97 54.02 1xpw s LYS 91 Cb -0.14 -1.17 -0.04 0.00 -1.68 0.00 0.00 37.83 34.80 1xpw s LYS 91 CO 0.06 0.31 0.36 0.16 -0.76 0.00 0.00 175.35 175.49 1xpw s ASP 92 N -0.58 6.46 0.28 2.83 -4.77 -1.26 -2.03 116.67 117.61 1xpw s ASP 92 Ca 0.05 0.54 0.06 0.00 -3.30 0.00 0.00 52.55 49.91 1xpw s ASP 92 Cb -0.06 -2.22 -0.03 0.00 -1.09 0.00 0.00 42.92 39.52 1xpw s ASP 92 CO -0.00 0.01 0.33 -0.22 0.70 0.00 0.00 175.17 175.99 1xpw s LEU 93 N 0.85 3.97 -0.07 2.11 2.96 0.23 -5.03 118.68 123.70 1xpw s LEU 93 Ca 0.19 -0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 53.81 1xpw s LEU 93 Cb -0.14 -2.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.92 1xpw s LEU 93 CO 0.06 -0.20 0.25 -0.69 -1.32 0.00 0.00 176.35 174.45 1xpw s VAL 94 N -2.13 5.31 -0.50 1.68 1.01 -1.26 -4.68 120.40 119.83 1xpw s VAL 94 Ca 0.38 0.47 -0.28 0.00 0.00 0.00 0.00 61.98 62.55 1xpw s VAL 94 Cb -0.08 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.77 1xpw s VAL 94 CO 0.28 0.59 1.59 -2.28 0.00 0.00 0.00 175.10 175.29 1xpw s HIS 95 N -0.99 2.06 -0.04 5.22 2.46 -1.26 -4.75 115.29 118.00 1xpw s HIS 95 Ca 0.18 0.60 -0.10 0.00 0.47 0.00 0.00 55.06 56.21 1xpw s HIS 95 Cb -0.14 -4.26 -0.05 0.00 -0.13 0.00 0.00 32.58 28.00 1xpw s HIS 95 CO 0.08 -2.26 0.28 0.95 -2.47 0.00 0.00 174.74 171.33 1xpw s THR 96 N 6.80 5.25 -0.46 0.89 -4.23 -1.26 -5.06 115.64 117.58 1xpw s THR 96 Ca 0.63 0.48 -0.12 0.00 -1.18 0.00 0.00 61.69 61.50 1xpw s THR 96 Cb -0.14 -3.57 0.09 0.00 1.34 0.00 0.00 72.50 70.22 1xpw s THR 96 CO 0.27 0.55 0.34 -0.70 -0.54 0.00 0.00 174.62 174.54 1xpw s GLU 97 N -1.20 2.75 -0.31 3.99 -6.30 -1.26 -4.46 118.70 111.91 1xpw s GLU 97 Ca 0.21 -1.50 0.00 0.00 -2.50 0.00 0.00 54.97 51.18 1xpw s GLU 97 Cb -0.14 -3.97 0.00 0.00 0.00 0.00 0.00 34.13 30.02 1xpw s GLU 97 CO 0.10 -1.06 0.00 0.41 0.02 0.00 0.00 175.26 174.74 1xpw n GLY 98 N 5.04 0.55 3.32 -1.50 0.00 -1.26 -4.99 105.19 106.35 1xpw n GLY 98 Ca -0.11 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.46 1.65 -0.06 1.61 -1.52 -1.26 -5.11 119.66 113.51 1xpw s GLN 99 Ca 0.00 -1.07 -0.30 0.00 -1.95 0.00 0.00 55.36 52.04 1xpw s GLN 99 Cb 0.00 -1.83 -0.02 0.00 -0.22 0.00 0.00 33.01 30.94 1xpw s GLN 99 CO 0.00 0.47 0.99 -0.51 -0.25 0.00 0.00 175.29 175.99 1xpw s LEU 100 N -1.26 4.30 -0.85 2.90 1.43 -1.26 -4.72 118.68 119.22 1xpw s LEU 100 Ca 0.11 1.58 -0.22 0.00 -1.03 0.00 0.00 54.13 54.57 1xpw s LEU 100 Cb -0.10 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.65 1xpw s LEU 100 CO 0.02 -0.36 1.19 -1.10 0.23 0.00 0.00 176.35 176.33 1xpw s GLN 101 N 1.55 3.41 -0.46 1.70 -1.52 -0.28 -4.93 119.66 119.12 1xpw s GLN 101 Ca 0.50 -1.13 -0.14 0.00 -1.95 0.00 0.00 55.36 52.64 1xpw s GLN 101 Cb -0.19 -4.74 0.08 0.00 -0.22 0.00 0.00 33.01 27.93 1xpw s GLN 101 CO 0.22 -1.95 0.36 -0.80 -0.25 0.00 0.00 175.29 172.88 1xpw s ASN 102 N 4.01 6.00 -0.35 5.90 0.01 -1.24 -2.21 114.94 127.05 1xpw s ASN 102 Ca 0.33 -1.41 -0.11 0.00 -0.71 0.00 0.00 52.86 50.97 1xpw s ASN 102 Cb -0.07 -2.13 0.01 0.00 0.41 0.00 0.00 41.25 39.47 1xpw s ASN 102 CO -0.01 -0.63 0.19 -0.70 -1.51 0.00 0.00 177.10 174.45 1xpw s GLU 103 N 1.57 3.06 -1.11 -0.60 2.12 -0.47 -4.94 118.70 118.34 1xpw s GLU 103 Ca 0.04 -0.92 -0.22 0.00 0.36 0.00 0.00 54.97 54.23 1xpw s GLU 103 Cb -0.24 -3.68 0.02 0.00 0.26 0.00 0.00 34.13 30.48 1xpw s GLU 103 CO 0.05 -0.58 1.70 -1.21 -0.54 0.00 0.00 175.26 174.68 1xpw s GLU 104 N 1.59 3.35 -0.10 4.30 2.02 -1.26 -2.22 118.70 126.38 1xpw s GLU 104 Ca 0.03 -1.23 -0.30 0.00 0.02 0.00 0.00 54.97 53.49 1xpw s GLU 104 Cb -0.18 -5.34 -0.01 0.00 0.10 0.00 0.00 34.13 28.69 1xpw s GLU 104 CO 0.07 -2.71 1.01 0.42 0.02 0.00 0.00 175.26 174.07 1xpw s ILE 105 N 6.60 4.78 -1.01 -1.63 1.01 0.20 -4.92 121.20 126.24 1xpw s ILE 105 Ca 0.56 2.05 -0.17 0.00 0.00 0.00 0.00 60.65 63.09 1xpw s ILE 105 Cb -0.00 -4.31 0.15 0.00 0.01 0.00 0.00 42.46 38.30 1xpw s ILE 105 CO 0.00 0.01 1.21 -0.69 0.00 0.00 0.00 174.94 175.47 1xpw s VAL 106 N 2.00 4.87 -0.25 2.92 1.01 -1.26 -0.36 120.40 129.33 1xpw s VAL 106 Ca 0.48 -1.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.46 1xpw s VAL 106 Cb -0.18 -4.81 -0.00 0.00 0.00 0.00 0.00 36.38 31.39 1xpw s VAL 106 CO 0.18 -1.52 0.00 0.00 0.00 0.00 0.00 175.10 173.76 1xpw s ALA 107 N 2.21 2.92 -0.49 5.51 0.00 -1.24 -4.95 121.76 125.72 1xpw s ALA 107 Ca 0.35 -1.27 -0.16 0.00 0.00 0.00 0.00 51.96 50.88 1xpw s ALA 107 Cb -0.04 -1.88 0.08 0.00 0.00 0.00 0.00 23.12 21.28 1xpw s ALA 107 CO -0.07 -0.61 0.44 -1.58 0.00 0.00 0.00 175.76 173.95 1xpw s HIS 108 N 1.49 3.21 0.05 0.00 2.46 -1.26 -3.10 115.29 118.14 1xpw s HIS 108 Ca 0.04 -0.90 -0.05 0.00 0.47 0.00 0.00 55.06 54.63 1xpw s HIS 108 Cb -0.15 -3.29 0.02 0.00 -0.13 0.00 0.00 32.58 29.02 1xpw s HIS 108 CO -0.01 -0.86 0.22 0.41 -2.47 0.00 0.00 174.74 172.03 1xpw n GLY 109 N 5.20 1.25 2.97 1.59 0.00 0.10 -5.02 105.19 111.28 1xpw n GLY 109 Ca -0.12 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.53 -0.12 -0.03 1.61 0.01 -1.26 -1.11 113.70 111.27 1xpw s SER 110 Ca 0.05 0.25 -0.13 0.00 1.31 0.00 0.00 55.95 57.43 1xpw s SER 110 Cb -0.01 0.22 0.02 0.00 0.21 0.00 0.00 66.02 66.46 1xpw s SER 110 CO 0.01 -0.08 0.29 0.00 0.41 0.00 0.00 173.24 173.88 1xpw s ALA 111 N 0.43 -0.74 -0.11 1.44 0.00 -1.26 -4.84 121.76 116.69 1xpw s ALA 111 Ca -0.03 0.39 0.19 0.00 0.00 0.00 0.00 51.96 52.52 1xpw s ALA 111 Cb -0.04 -0.04 -0.28 0.00 0.00 0.00 0.00 23.12 22.75 1xpw s ALA 111 CO -0.02 -0.23 0.26 0.25 0.00 0.00 0.00 175.76 176.02 1xpw n THR 112 N 1.62 0.69 -4.17 0.00 -2.24 0.07 -4.41 114.28 105.84 1xpw n THR 112 Ca -0.20 -0.66 -0.22 0.00 -2.27 0.00 0.00 64.05 60.70 1xpw n THR 112 Cb 0.56 -0.24 -0.17 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.95 0.98 -0.24 4.78 1.51 -0.32 -1.01 117.35 120.10 1xpw s TYR 113 Ca -0.09 -0.34 -0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1xpw s TYR 113 Cb 0.09 -0.84 0.02 0.00 -0.11 0.00 0.00 41.96 41.12 1xpw s TYR 113 CO 0.83 -0.27 -0.07 -0.51 -1.11 0.00 0.00 175.55 174.43 1xpw s LEU 114 N 1.10 3.07 -0.40 -1.29 1.43 0.02 -1.37 118.68 121.25 1xpw s LEU 114 Ca -0.08 -0.78 -0.09 0.00 -1.03 0.00 0.00 54.13 52.15 1xpw s LEU 114 Cb -0.14 -1.66 0.06 0.00 0.03 0.00 0.00 46.19 44.48 1xpw s LEU 114 CO -0.01 -0.10 0.22 -0.60 0.23 0.00 0.00 176.35 176.09 1xpw s ARG 115 N 1.35 2.65 -0.35 1.70 3.52 0.49 -0.39 118.95 127.92 1xpw s ARG 115 Ca 0.01 -1.33 -0.21 0.00 -0.13 0.00 0.00 55.73 54.07 1xpw s ARG 115 Cb -0.16 -3.72 0.00 0.00 -1.56 0.00 0.00 34.95 29.51 1xpw s ARG 115 CO -0.05 -0.85 0.68 -0.06 -0.81 0.00 0.00 175.30 174.20 1xpw s PHE 116 N 1.45 3.16 -0.37 5.12 0.40 -0.19 -0.44 117.98 127.11 1xpw s PHE 116 Ca 0.02 0.46 -0.02 0.00 -0.60 0.00 0.00 56.93 56.79 1xpw s PHE 116 Cb -0.22 -3.17 0.09 0.00 0.51 0.00 0.00 43.02 40.23 1xpw s PHE 116 CO 0.03 -0.62 0.13 0.42 0.70 0.00 0.00 175.22 175.88 1xpw s ILE 117 N 2.79 3.12 -0.65 0.64 1.01 -0.30 -2.32 121.20 125.49 1xpw s ILE 117 Ca 0.26 -1.88 -0.23 0.00 0.00 0.00 0.00 60.65 58.80 1xpw s ILE 117 Cb -0.14 -3.05 0.06 0.00 0.01 0.00 0.00 42.46 39.34 1xpw s ILE 117 CO 0.15 -0.51 1.00 -0.63 0.00 0.00 0.00 174.94 174.94 1xpw s ILE 118 N 1.15 4.27 0.11 2.92 1.01 0.56 -0.82 121.20 130.40 1xpw s ILE 118 Ca 0.05 -0.15 -0.14 0.00 0.00 0.00 0.00 60.65 60.40 1xpw s ILE 118 Cb -0.21 -4.68 -0.05 0.00 0.01 0.00 0.00 42.46 37.52 1xpw s ILE 118 CO -0.04 -1.44 1.49 0.58 0.00 0.00 0.00 174.94 175.53 1xpw h VAL 119 N 5.99 1.29 -3.34 2.92 2.07 -1.23 0.14 116.25 124.09 1xpw h VAL 119 Ca -0.28 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 65.94 1xpw h VAL 119 Cb 1.07 1.36 -0.11 0.00 -1.52 0.00 0.00 31.29 32.09 1xpw h VAL 119 CO 1.18 0.42 -0.00 -0.94 0.02 0.00 0.00 177.57 178.24 1xpw s SER 120 N -6.41 -0.26 0.10 0.57 1.04 -1.24 -4.45 113.70 103.04 1xpw s SER 120 Ca -0.13 -0.43 -0.01 0.00 0.48 0.00 0.00 55.95 55.87 1xpw s SER 120 Cb 0.09 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 1xpw s SER 120 CO 0.82 -0.99 0.00 0.00 0.98 0.00 0.00 173.24 174.06 1xpw s ALA 121 N -3.85 0.75 0.35 5.32 0.00 -1.26 -1.45 121.76 121.62 1xpw s ALA 121 Ca 0.07 -1.36 0.09 0.00 0.00 0.00 0.00 51.96 50.77 1xpw s ALA 121 Cb -0.00 0.53 0.63 0.00 0.00 0.00 0.00 23.12 24.28 1xpw s ALA 121 CO -0.06 -0.40 1.80 0.74 0.00 0.00 0.00 175.76 177.84 1xpw h PHE 122 N 2.98 0.18 -1.67 0.00 0.04 -1.53 -3.44 116.94 113.51 1xpw h PHE 122 Ca -0.35 -0.04 -0.53 0.00 2.80 0.00 0.00 57.97 59.85 1xpw h PHE 122 Cb 1.17 -0.05 -0.06 0.00 2.20 0.00 0.00 35.95 39.21 1xpw h PHE 122 CO 0.50 0.47 -0.47 -0.51 -0.60 0.00 0.00 178.31 177.70 1xpw s ASP 123 N -6.90 4.76 0.41 2.17 1.01 -1.26 -5.02 116.67 111.84 1xpw s ASP 123 Ca -0.04 -0.84 0.23 0.00 0.71 0.00 0.00 52.55 52.60 1xpw s ASP 123 Cb 0.14 -0.62 0.57 0.00 1.01 0.00 0.00 42.92 44.02 1xpw s ASP 123 CO 0.75 -0.49 1.68 -0.74 0.21 0.00 0.00 175.17 176.57 1xpw h HIS 124 N 1.33 0.00 -3.79 4.23 -0.00 -2.00 -3.44 115.15 111.48 1xpw h HIS 124 Ca -0.43 0.00 -0.68 0.00 -0.00 0.00 0.00 60.37 59.26 1xpw h HIS 124 Cb 1.26 0.00 -0.19 0.00 -0.00 0.00 0.00 27.41 28.47 1xpw h HIS 124 CO 0.58 0.20 -0.80 -0.59 -0.00 0.00 0.00 177.93 177.33 1xpw s PHE 125 N -3.32 2.56 -0.00 5.26 -0.71 -1.26 -3.97 117.98 116.53 1xpw s PHE 125 Ca 0.04 -0.25 0.02 0.00 -1.04 0.00 0.00 56.93 55.69 1xpw s PHE 125 Cb 0.08 -1.39 -0.00 0.00 -1.21 0.00 0.00 43.02 40.49 1xpw s PHE 125 CO 0.66 0.35 -0.05 0.00 -1.34 0.00 0.00 175.22 174.84 1xpw s ALA 126 N -1.08 0.45 0.02 1.99 0.00 -1.25 -4.80 121.76 117.10 1xpw s ALA 126 Ca 0.17 -0.23 0.06 0.00 0.00 0.00 0.00 51.96 51.96 1xpw s ALA 126 Cb -0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 1xpw s ALA 126 CO 0.09 0.11 -0.17 -1.12 0.00 0.00 0.00 175.76 174.67 1xpw s SER 127 N -0.11 1.99 -0.06 0.00 0.01 -1.24 -0.32 113.70 113.98 1xpw s SER 127 Ca 0.02 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 56.91 1xpw s SER 127 Cb -0.02 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 1xpw s SER 127 CO -0.00 0.14 -0.15 0.54 0.41 0.00 0.00 173.24 174.18 1xpw s VAL 128 N -0.62 2.98 -0.20 3.43 0.11 -0.66 -0.30 120.40 125.15 1xpw s VAL 128 Ca 0.05 -0.75 -0.15 0.00 -2.93 0.00 0.00 61.98 58.20 1xpw s VAL 128 Cb -0.07 -2.17 -0.09 0.00 -1.53 0.00 0.00 36.38 32.52 1xpw s VAL 128 CO 0.01 0.58 -0.22 1.57 -3.33 0.00 0.00 175.10 173.71 1xpw n HIS 129 N 2.48 0.39 -3.65 1.54 -0.00 0.54 -3.80 115.22 112.72 1xpw n HIS 129 Ca -0.17 0.17 -0.05 0.00 0.46 0.00 0.00 57.72 58.12 1xpw n HIS 129 Cb 0.52 -0.79 -0.07 0.00 -0.12 0.00 0.00 29.99 29.54 1xpw n HIS 129 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1xpw s SER 130 N -6.43 -0.92 -0.50 0.26 0.01 -0.79 -4.90 113.70 100.43 1xpw s SER 130 Ca -0.28 1.44 0.03 0.00 1.31 0.00 0.00 55.95 58.45 1xpw s SER 130 Cb 0.07 1.65 0.13 0.00 0.21 0.00 0.00 66.02 68.08 1xpw s SER 130 CO 0.42 -0.23 0.24 0.68 0.41 0.00 0.00 173.24 174.77 1xpw s VAL 131 N 2.14 2.65 0.06 3.43 -7.23 -1.26 -0.41 120.40 119.78 1xpw s VAL 131 Ca -0.08 -3.13 0.04 0.00 -1.81 0.00 0.00 61.98 57.00 1xpw s VAL 131 Cb -0.08 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 1xpw s VAL 131 CO -0.18 -0.77 -0.02 -0.44 -0.31 0.00 0.00 175.10 173.37 1xpw s SER 132 N -0.00 4.93 -0.19 4.85 0.01 -0.72 -4.75 113.70 117.84 1xpw s SER 132 Ca 0.16 -0.16 -0.03 0.00 1.31 0.00 0.00 55.95 57.23 1xpw s SER 132 Cb -0.24 -1.17 -0.01 0.00 0.21 0.00 0.00 66.02 64.80 1xpw s SER 132 CO -0.02 0.21 -0.08 0.00 0.41 0.00 0.00 173.24 173.77 1xpw s ALA 133 N -1.22 2.75 0.10 1.44 0.00 -1.26 -0.81 121.76 122.76 1xpw s ALA 133 Ca 0.23 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.18 1xpw s ALA 133 Cb -0.12 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 1xpw s ALA 133 CO 0.15 -0.17 0.05 -1.21 0.00 0.00 0.00 175.76 174.58 1xpw s GLU 134 N 1.04 2.71 0.00 0.00 2.02 0.50 0.20 118.70 125.17 1xpw s GLU 134 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.20 1xpw s GLU 134 Cb -0.15 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.46 1xpw s GLU 134 CO -0.01 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.22 1xpw n GLY 135 N 0.39 -0.21 3.34 -1.39 0.00 -1.25 -1.93 105.19 104.14 1xpw n GLY 135 Ca -0.10 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 0.08 0.01 2.61 -4.23 -0.98 -3.57 115.64 109.18 1xpw s THR 136 Ca 0.00 -1.08 -0.25 0.00 -1.18 0.00 0.00 61.69 59.18 1xpw s THR 136 Cb 0.00 -1.55 -0.05 0.00 1.34 0.00 0.00 72.50 72.24 1xpw s THR 136 CO 0.00 -0.35 0.78 -0.69 -0.54 0.00 0.00 174.62 173.82 1xpw s VAL 137 N -3.90 4.82 0.00 2.29 1.01 -1.26 -0.35 120.40 123.02 1xpw s VAL 137 Ca 0.10 1.65 0.00 0.00 0.00 0.00 0.00 61.98 63.73 1xpw s VAL 137 Cb 0.03 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1xpw s VAL 137 CO -0.05 0.31 0.00 0.52 0.00 0.00 0.00 175.10 175.88 1xpw n VAL 138 N 3.20 0.00 -3.89 2.92 0.31 0.57 -4.86 118.33 116.57 1xpw n VAL 138 Ca -0.01 0.41 -0.11 0.00 -0.01 0.00 0.00 64.34 64.62 1xpw n VAL 138 Cb 0.51 -1.31 -0.11 0.00 -0.91 0.00 0.00 33.84 32.02 1xpw n VAL 138 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1xpw s SER 139 N -3.02 0.04 0.10 4.52 1.04 -1.10 -5.02 113.70 110.27 1xpw s SER 139 Ca 0.00 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.28 1xpw s SER 139 Cb 0.00 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 1xpw s SER 139 CO 0.00 -0.26 0.18 0.20 0.98 0.00 0.00 173.24 174.34 1xpw s ASN 140 N -1.02 5.99 -0.54 7.02 0.01 -1.26 -1.55 114.94 123.60 1xpw s ASN 140 Ca -0.11 0.10 -0.03 0.00 -0.71 0.00 0.00 52.86 52.12 1xpw s ASN 140 Cb -0.06 -1.73 0.22 0.00 0.41 0.00 0.00 41.25 40.08 1xpw s ASN 140 CO 0.01 0.13 2.34 0.18 -1.51 0.00 0.00 177.10 178.24 1xpw n LEU 141 N 0.03 6.89 -0.26 0.60 4.32 -1.26 -4.71 117.00 122.60 1xpw n LEU 141 Ca -0.07 -4.10 0.03 0.00 -0.02 0.00 0.00 56.01 51.85 1xpw n LEU 141 Cb 0.52 -1.12 0.25 0.00 -1.62 0.00 0.00 43.42 41.45 1xpw n LEU 141 CO 0.48 1.59 1.25 0.28 -1.22 0.00 0.00 177.39 179.76 1xpw h SER 142 N 2.52 0.87 0.00 -1.43 0.02 -1.94 -3.52 113.55 110.06 1xpw h SER 142 Ca 0.44 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1xpw h SER 142 Cb 0.62 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1xpw h SER 142 CO 1.08 0.59 0.00 -0.24 -1.14 0.00 0.00 176.83 177.12