#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pgw s ILE 2 N 0.00 5.00 -0.10 0.44 1.01 -1.26 -5.06 121.20 121.24 1pgw s ILE 2 Ca 0.00 0.84 -0.30 0.00 0.00 0.00 0.00 60.65 61.18 1pgw s ILE 2 Cb 0.00 -3.72 0.12 0.00 0.01 0.00 0.00 42.46 38.87 1pgw s ILE 2 CO 0.00 0.54 1.00 -0.94 0.00 0.00 0.00 174.94 175.54 1pgw s SER 3 N -1.16 -0.31 -0.14 3.58 1.04 -1.26 -5.01 113.70 110.43 1pgw s SER 3 Ca 0.25 0.13 -0.26 0.00 0.48 0.00 0.00 55.95 56.56 1pgw s SER 3 Cb -0.17 0.30 0.06 0.00 0.10 0.00 0.00 66.02 66.32 1pgw s SER 3 CO 0.14 -0.44 0.64 -1.58 0.98 0.00 0.00 173.24 172.98 1pgw s GLN 4 N -2.29 0.89 0.24 4.02 0.74 -1.26 -5.15 119.66 116.84 1pgw s GLN 4 Ca 0.04 0.55 -0.30 0.00 0.05 0.00 0.00 55.36 55.70 1pgw s GLN 4 Cb -0.01 0.42 -0.09 0.00 1.10 0.00 0.00 33.01 34.43 1pgw s GLN 4 CO -0.05 -0.20 0.94 -0.65 -0.55 0.00 0.00 175.29 174.78 1pgw s GLN 5 N -0.45 4.85 -1.58 1.67 -0.21 -1.26 -4.04 119.66 118.63 1pgw s GLN 5 Ca -0.06 1.48 -0.04 0.00 0.02 0.00 0.00 55.36 56.76 1pgw s GLN 5 Cb -0.03 -3.26 0.01 0.00 1.00 0.00 0.00 33.01 30.73 1pgw s GLN 5 CO 0.05 0.51 0.42 2.41 -2.12 0.00 0.00 175.29 176.56 1pgw n THR 6 N 1.46 -1.62 -3.97 -0.19 -1.04 -1.26 -4.98 114.28 102.68 1pgw n THR 6 Ca -0.02 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.66 1pgw n THR 6 Cb 0.47 -3.17 -0.14 0.00 -1.82 0.00 0.00 70.33 65.67 1pgw n THR 6 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1pgw s VAL 7 N -3.11 2.56 0.44 12.58 0.11 -1.26 -5.08 120.40 126.64 1pgw s VAL 7 Ca 0.22 -1.98 0.06 0.00 -2.93 0.00 0.00 61.98 57.35 1pgw s VAL 7 Cb -0.10 -2.71 0.06 0.00 -1.53 0.00 0.00 36.38 32.10 1pgw s VAL 7 CO 0.27 -0.41 0.51 0.79 -3.33 0.00 0.00 175.10 172.93 1pgw n TRP 8 N 4.42 -1.89 -4.30 1.54 7.02 -1.26 -4.86 117.44 118.10 1pgw n TRP 8 Ca -0.04 -1.68 -0.18 0.00 -1.02 0.00 0.00 57.50 54.58 1pgw n TRP 8 Cb 0.42 -0.40 -0.15 0.00 -2.42 0.00 0.00 31.31 28.77 1pgw n TRP 8 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1pgw s ASN 9 N -3.66 0.94 0.20 -0.99 0.02 -0.44 -4.98 114.94 106.04 1pgw s ASN 9 Ca 0.39 -0.14 -0.30 0.00 -1.02 0.00 0.00 52.86 51.79 1pgw s ASN 9 Cb -0.03 -0.14 -0.08 0.00 0.02 0.00 0.00 41.25 41.02 1pgw s ASN 9 CO 0.25 0.09 1.08 -1.10 0.02 0.00 0.00 177.10 177.43 1pgw s GLN 10 N -0.10 4.63 -0.07 -0.60 -0.21 -1.26 -1.03 119.66 121.03 1pgw s GLN 10 Ca 0.02 1.70 -0.02 0.00 0.02 0.00 0.00 55.36 57.09 1pgw s GLN 10 Cb -0.04 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 1pgw s GLN 10 CO -0.00 0.15 -0.07 -0.12 -2.12 0.00 0.00 175.29 173.12 1pgw n MET 11 N 2.08 0.15 -3.67 2.91 1.56 0.60 -4.34 117.12 116.41 1pgw n MET 11 Ca 0.01 0.05 -0.12 0.00 -0.27 0.00 0.00 57.70 57.37 1pgw n MET 11 Cb 0.46 -0.92 -0.06 0.00 2.15 0.00 0.00 33.22 34.84 1pgw n MET 11 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1pgw s ALA 12 N -2.13 -0.97 -0.11 -5.12 0.00 -1.06 -1.28 121.76 111.10 1pgw s ALA 12 Ca -0.09 0.24 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 1pgw s ALA 12 Cb 0.03 0.39 0.04 0.00 0.00 0.00 0.00 23.12 23.57 1pgw s ALA 12 CO 0.13 -0.47 0.01 0.99 0.00 0.00 0.00 175.76 176.42 1pgw s THR 13 N -2.64 0.44 -0.18 0.00 2.01 0.08 -0.74 115.64 114.60 1pgw s THR 13 Ca -0.04 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 1pgw s THR 13 Cb -0.00 -0.68 -0.00 0.00 0.01 0.00 0.00 72.50 71.82 1pgw s THR 13 CO -0.04 0.14 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.23 1pgw s VAL 14 N 1.94 2.91 -0.19 3.82 1.01 0.60 -1.11 120.40 129.38 1pgw s VAL 14 Ca 0.04 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 1pgw s VAL 14 Cb -0.13 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1pgw s VAL 14 CO -0.06 0.48 -0.01 -0.60 0.00 0.00 0.00 175.10 174.91 1pgw s ARG 15 N 1.11 3.61 0.46 2.72 3.00 0.42 -0.96 118.95 129.31 1pgw s ARG 15 Ca 0.01 -0.53 -0.24 0.00 -1.00 0.00 0.00 55.73 53.97 1pgw s ARG 15 Cb -0.14 -3.03 -0.09 0.00 0.00 0.00 0.00 34.95 31.69 1pgw s ARG 15 CO -0.03 0.05 1.16 2.41 0.00 0.00 0.00 175.30 178.89 1pgw n THR 16 N 4.11 2.81 -1.69 4.11 -1.04 -0.47 -2.04 114.28 120.08 1pgw n THR 16 Ca -0.17 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 60.90 1pgw n THR 16 Cb 0.52 -1.39 -0.04 0.00 -1.82 0.00 0.00 70.33 67.60 1pgw n THR 16 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1pgw n PRO 17 N -0.18 2.60 0.17 -2.82 -0.04 -1.26 -4.68 135.00 128.79 1pgw n PRO 17 Ca 0.09 0.95 0.04 0.00 -0.04 0.00 0.00 63.50 64.53 1pgw n PRO 17 Cb 0.41 -2.81 0.44 0.00 -0.04 0.00 0.00 33.50 31.50 1pgw n PRO 17 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1pgw h LEU 18 N 8.23 0.10 -3.93 1.53 3.38 -1.89 -2.80 115.31 119.93 1pgw h LEU 18 Ca -0.46 -0.02 -0.52 0.00 0.09 0.00 0.00 57.88 56.97 1pgw h LEU 18 Cb 1.23 -0.03 -0.30 0.00 0.09 0.00 0.00 40.66 41.66 1pgw h LEU 18 CO 0.94 0.29 0.66 -0.46 0.09 0.00 0.00 178.44 179.95 1pgw n ASN 19 N -4.28 4.18 -4.76 -0.43 6.94 -1.26 -4.97 115.26 110.68 1pgw n ASN 19 Ca -0.02 -3.57 -0.41 0.00 -0.02 0.00 0.00 54.58 50.56 1pgw n ASN 19 Cb 0.27 -0.85 -0.02 0.00 -2.36 0.00 0.00 39.78 36.83 1pgw n ASN 19 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1pgw s PHE 20 N -3.23 2.93 -0.46 -2.53 5.36 -1.06 -4.83 117.98 114.17 1pgw s PHE 20 Ca 0.56 1.13 -0.08 0.00 -0.96 0.00 0.00 56.93 57.58 1pgw s PHE 20 Cb 0.46 -3.84 0.12 0.00 -0.34 0.00 0.00 43.02 39.42 1pgw s PHE 20 CO 0.09 -2.58 0.31 0.34 -1.46 0.00 0.00 175.22 171.93 1pgw s ASP 21 N 0.06 5.61 0.37 6.13 2.15 -1.26 -4.94 116.67 124.79 1pgw s ASP 21 Ca 0.56 -1.93 0.15 0.00 0.43 0.00 0.00 52.55 51.76 1pgw s ASP 21 Cb -0.43 -1.97 1.02 0.00 -0.30 0.00 0.00 42.92 41.24 1pgw s ASP 21 CO 0.49 -0.66 1.75 0.28 -0.17 0.00 0.00 175.17 176.87 1pgw h SER 22 N 8.37 0.54 -0.68 -0.34 0.02 -1.94 -1.31 113.55 118.21 1pgw h SER 22 Ca -0.20 0.11 0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1pgw h SER 22 Cb 1.07 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.57 1pgw h SER 22 CO 0.83 0.09 0.37 0.77 -1.14 0.00 0.00 176.83 177.75 1pgw h SER 23 N 0.47 0.54 0.10 3.07 4.64 -2.00 -3.11 113.55 117.25 1pgw h SER 23 Ca 0.62 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.97 1pgw h SER 23 Cb 1.41 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1pgw h SER 23 CO -0.37 0.34 -0.05 0.11 -0.87 0.00 0.00 176.83 175.99 1pgw h LYS 24 N 0.68 -0.13 -3.55 4.77 1.57 -1.67 -3.47 116.57 114.77 1pgw h LYS 24 Ca 0.31 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 59.02 1pgw h LYS 24 Cb 0.22 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 32.41 1pgw h LYS 24 CO -0.20 0.32 -0.28 1.14 -0.57 0.00 0.00 179.45 179.86 1pgw s GLN 25 N -4.06 0.85 0.21 3.15 -2.07 -1.18 -5.09 119.66 111.47 1pgw s GLN 25 Ca -0.15 -0.73 0.21 0.00 -1.82 0.00 0.00 55.36 52.87 1pgw s GLN 25 Cb 0.01 0.36 0.01 0.00 -1.09 0.00 0.00 33.01 32.31 1pgw s GLN 25 CO 0.60 -0.28 1.09 0.66 -1.32 0.00 0.00 175.29 176.03 1pgw h SER 26 N 2.92 0.00 -0.96 12.60 4.64 -1.88 -3.37 113.55 127.50 1pgw h SER 26 Ca -0.33 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.33 1pgw h SER 26 Cb 1.21 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.17 1pgw h SER 26 CO 0.50 0.17 -0.50 0.72 -0.87 0.00 0.00 176.83 176.85 1pgw s PHE 27 N -3.22 1.76 0.17 4.77 -0.12 -1.26 -1.20 117.98 118.88 1pgw s PHE 27 Ca 0.00 -1.10 -0.12 0.00 -0.05 0.00 0.00 56.93 55.66 1pgw s PHE 27 Cb 0.09 -1.46 0.01 0.00 -0.63 0.00 0.00 43.02 41.02 1pgw s PHE 27 CO 0.78 0.04 0.37 0.00 -0.05 0.00 0.00 175.22 176.36 1pgw s GLN 29 N -3.92 0.26 0.10 0.00 -0.21 -1.26 -0.57 119.66 114.06 1pgw s GLN 29 Ca 0.13 -0.30 -0.05 0.00 0.02 0.00 0.00 55.36 55.15 1pgw s GLN 29 Cb 0.02 -0.13 -0.02 0.00 1.00 0.00 0.00 33.01 33.88 1pgw s GLN 29 CO -0.02 0.03 0.13 -0.59 -2.12 0.00 0.00 175.29 172.72 1pgw s PHE 30 N -0.58 0.42 -0.08 0.91 -0.12 -1.00 -1.98 117.98 115.55 1pgw s PHE 30 Ca -0.05 -0.85 -0.07 0.00 -0.05 0.00 0.00 56.93 55.91 1pgw s PHE 30 Cb -0.04 -0.21 0.02 0.00 -0.63 0.00 0.00 43.02 42.16 1pgw s PHE 30 CO -0.00 -0.53 0.20 0.45 -0.05 0.00 0.00 175.22 175.28 1pgw s SER 31 N -2.93 -0.21 -0.16 1.98 0.15 0.03 -1.11 113.70 111.45 1pgw s SER 31 Ca 0.11 0.41 -0.02 0.00 0.70 0.00 0.00 55.95 57.15 1pgw s SER 31 Cb 0.06 0.39 -0.01 0.00 -1.71 0.00 0.00 66.02 64.75 1pgw s SER 31 CO -0.06 -0.08 -0.10 -0.69 1.20 0.00 0.00 173.24 173.51 1pgw s VAL 32 N 0.28 3.19 -0.71 4.45 1.01 0.41 -0.27 120.40 128.76 1pgw s VAL 32 Ca -0.01 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 1pgw s VAL 32 Cb -0.03 -2.38 0.08 0.00 0.00 0.00 0.00 36.38 34.05 1pgw s VAL 32 CO -0.01 0.49 0.98 -0.62 0.00 0.00 0.00 175.10 175.94 1pgw s ASP 33 N 0.74 6.26 0.23 3.32 3.68 0.13 -0.74 116.67 130.29 1pgw s ASP 33 Ca -0.04 -1.22 -0.05 0.00 2.13 0.00 0.00 52.55 53.37 1pgw s ASP 33 Cb -0.15 -2.41 0.39 0.00 -1.45 0.00 0.00 42.92 39.30 1pgw s ASP 33 CO 0.02 -1.35 1.76 -0.07 0.13 0.00 0.00 175.17 175.66 1pgw h LEU 34 N 11.11 0.42 0.00 -1.34 4.07 -1.44 0.21 115.31 128.34 1pgw h LEU 34 Ca -0.20 0.08 -0.26 0.00 0.08 0.00 0.00 57.88 57.57 1pgw h LEU 34 Cb 1.06 0.01 -0.05 0.00 1.08 0.00 0.00 40.66 42.77 1pgw h LEU 34 CO 1.17 0.22 -1.74 0.18 -1.08 0.00 0.00 178.44 177.19 1pgw n LEU 35 N -4.90 0.72 0.11 1.67 4.77 -1.25 -4.10 117.00 114.02 1pgw n LEU 35 Ca 0.13 0.34 0.03 0.00 -0.03 0.00 0.00 56.01 56.47 1pgw n LEU 35 Cb 0.33 0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1pgw n LEU 35 CO 0.23 0.33 0.22 1.23 -1.33 0.00 0.00 177.39 178.06 1pgw h GLY 36 N 3.65 0.00 -0.00 -0.72 0.00 -1.86 -3.40 103.07 100.74 1pgw h GLY 36 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1pgw h GLY 36 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.21 1pgw n GLY 37 N 1.27 0.59 3.50 4.60 0.00 0.72 -4.79 105.19 111.08 1pgw n GLY 37 Ca -0.02 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 1pgw n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pgw s GLY 38 N -2.86 1.82 -0.07 -0.02 0.00 -1.16 -4.93 107.32 100.10 1pgw s GLY 38 Ca 0.00 -1.80 0.04 0.00 0.00 0.00 0.00 44.72 42.96 1pgw s GLY 38 CO 0.00 -1.87 -0.18 -0.42 0.00 0.00 0.00 173.10 170.63 1pgw s ILE 39 N -2.34 1.57 -0.02 0.90 1.01 -1.26 0.22 121.20 121.28 1pgw s ILE 39 Ca 0.29 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 60.24 1pgw s ILE 39 Cb -0.06 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 1pgw s ILE 39 CO 0.15 0.45 -0.19 -0.44 0.00 0.00 0.00 174.94 174.91 1pgw s SER 40 N 0.29 3.67 0.23 3.58 0.01 0.62 -4.96 113.70 117.15 1pgw s SER 40 Ca -0.11 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 56.83 1pgw s SER 40 Cb -0.15 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.40 1pgw s SER 40 CO 0.05 0.32 0.06 0.68 0.41 0.00 0.00 173.24 174.76 1pgw s VAL 41 N -0.74 0.63 0.92 3.43 -7.23 -1.26 -0.79 120.40 115.36 1pgw s VAL 41 Ca 0.12 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.18 1pgw s VAL 41 Cb -0.10 -2.48 0.14 0.00 0.56 0.00 0.00 36.38 34.50 1pgw s VAL 41 CO 0.01 -0.15 1.09 -1.81 -0.31 0.00 0.00 175.10 173.93 1pgw s ASP 42 N -3.28 3.14 -0.25 4.85 -0.00 -0.84 -4.95 116.67 115.35 1pgw s ASP 42 Ca 0.33 1.68 0.14 0.00 -0.00 0.00 0.00 52.55 54.70 1pgw s ASP 42 Cb 0.07 -2.32 0.78 0.00 -0.00 0.00 0.00 42.92 41.45 1pgw s ASP 42 CO 0.11 -2.87 1.72 0.29 -0.00 0.00 0.00 175.17 174.42 1pgw n LYS 43 N -4.05 4.49 0.00 8.23 5.02 -1.26 -4.41 118.16 126.18 1pgw n LYS 43 Ca 0.08 -3.13 0.09 0.00 -2.02 0.00 0.00 58.31 53.33 1pgw n LYS 43 Cb 0.54 -2.21 0.45 0.00 -0.02 0.00 0.00 35.03 33.79 1pgw n LYS 43 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1pgw n THR 44 N 0.36 0.55 -3.93 -0.18 5.66 -1.26 -4.95 114.28 110.52 1pgw n THR 44 Ca 0.29 0.14 0.00 0.00 -3.05 0.00 0.00 64.05 61.43 1pgw n THR 44 Cb 1.20 -0.81 0.00 0.00 -1.55 0.00 0.00 70.33 69.17 1pgw n THR 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pgw n GLY 45 N 0.43 -1.04 3.35 1.09 0.00 -1.26 -4.39 105.19 103.37 1pgw n GLY 45 Ca 0.07 -1.16 -0.45 0.00 0.00 0.00 0.00 46.02 44.48 1pgw n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pgw s ASP 46 N -4.00 6.23 0.42 1.61 -0.00 -1.26 -4.93 116.67 114.73 1pgw s ASP 46 Ca 0.00 -1.67 -0.23 0.00 -0.00 0.00 0.00 52.55 50.65 1pgw s ASP 46 Cb 0.00 -2.26 -0.09 0.00 -0.00 0.00 0.00 42.92 40.57 1pgw s ASP 46 CO 0.00 -0.98 1.07 0.26 -0.00 0.00 0.00 175.17 175.53 1pgw s TRP 47 N 2.08 3.16 -0.36 4.23 0.52 -1.26 -3.61 118.94 123.71 1pgw s TRP 47 Ca 0.09 1.61 -0.01 0.00 0.02 0.00 0.00 56.10 57.81 1pgw s TRP 47 Cb -0.26 -3.17 0.09 0.00 -1.15 0.00 0.00 33.47 28.98 1pgw s TRP 47 CO 0.04 -0.82 0.10 0.42 0.02 0.00 0.00 176.95 176.70 1pgw s ILE 48 N -1.66 2.94 0.16 2.03 1.01 -0.87 -4.97 121.20 119.84 1pgw s ILE 48 Ca 0.60 -1.91 0.11 0.00 0.00 0.00 0.00 60.65 59.45 1pgw s ILE 48 Cb -0.23 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1pgw s ILE 48 CO 0.28 -0.47 -0.23 0.42 0.00 0.00 0.00 174.94 174.94 1pgw s THR 49 N 1.12 2.45 -0.20 2.92 -4.23 -1.26 -0.43 115.64 116.00 1pgw s THR 49 Ca 0.04 -1.86 -0.11 0.00 -1.18 0.00 0.00 61.69 58.59 1pgw s THR 49 Cb -0.21 -2.14 0.07 0.00 1.34 0.00 0.00 72.50 71.56 1pgw s THR 49 CO -0.04 -0.03 0.49 -0.22 -0.54 0.00 0.00 174.62 174.28 1pgw s LEU 50 N -2.43 -0.39 -0.33 4.79 2.96 -0.27 -5.00 118.68 118.02 1pgw s LEU 50 Ca 0.19 1.07 -0.11 0.00 -0.22 0.00 0.00 54.13 55.06 1pgw s LEU 50 Cb -0.09 1.63 -0.00 0.00 0.50 0.00 0.00 46.19 48.23 1pgw s LEU 50 CO 0.09 -0.21 0.18 -0.69 -1.32 0.00 0.00 176.35 174.40 1pgw s VAL 51 N 1.62 4.72 0.33 1.68 1.01 -1.26 -0.74 120.40 127.76 1pgw s VAL 51 Ca -0.09 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 1pgw s VAL 51 Cb -0.08 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 1pgw s VAL 51 CO -0.15 -0.02 1.19 -1.10 0.00 0.00 0.00 175.10 175.03 1pgw s GLN 52 N 1.62 4.39 -0.71 2.72 1.11 -0.40 -4.91 119.66 123.47 1pgw s GLN 52 Ca 0.04 1.96 -0.05 0.00 0.01 0.00 0.00 55.36 57.32 1pgw s GLN 52 Cb -0.18 -3.01 -0.02 0.00 -1.01 0.00 0.00 33.01 28.79 1pgw s GLN 52 CO 0.07 -0.07 2.90 0.09 0.01 0.00 0.00 175.29 178.29 1pgw n ASN 53 N 0.76 6.87 -4.80 5.90 3.02 -1.26 -4.69 115.26 121.06 1pgw n ASN 53 Ca 0.01 -2.95 -0.30 0.00 -0.03 0.00 0.00 54.58 51.31 1pgw n ASN 53 Cb 0.44 -1.35 0.10 0.00 -0.61 0.00 0.00 39.78 38.36 1pgw n ASN 53 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1pgw s SER 54 N 0.96 4.30 0.24 6.41 1.04 -1.26 -4.76 113.70 120.62 1pgw s SER 54 Ca 0.61 1.26 -0.05 0.00 0.48 0.00 0.00 55.95 58.25 1pgw s SER 54 Cb 0.29 -1.97 0.39 0.00 0.10 0.00 0.00 66.02 64.84 1pgw s SER 54 CO -0.12 -2.09 1.76 -0.65 0.98 0.00 0.00 173.24 173.13 1pgw h PRO 55 N -1.17 0.55 -0.14 4.02 0.11 -1.92 -0.83 132.00 132.62 1pgw h PRO 55 Ca -0.48 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 1pgw h PRO 55 Cb 1.28 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1pgw h PRO 55 CO 0.59 0.36 -0.57 0.97 -0.21 0.00 0.00 178.00 179.15 1pgw h ILE 56 N 0.57 1.34 -0.60 4.15 2.10 -1.93 -0.83 117.51 122.31 1pgw h ILE 56 Ca 0.38 -1.86 -0.05 0.00 1.08 0.00 0.00 64.86 64.41 1pgw h ILE 56 Cb 0.47 1.85 -0.02 0.00 -1.09 0.00 0.00 36.82 38.03 1pgw h ILE 56 CO -0.31 0.57 0.17 -1.28 -1.08 0.00 0.00 178.15 176.21 1pgw h SER 57 N 0.34 0.89 -0.06 2.19 0.87 -1.71 -1.49 113.55 114.57 1pgw h SER 57 Ca 0.00 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.33 1pgw h SER 57 Cb 1.10 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1pgw h SER 57 CO 0.10 0.87 0.00 0.78 -0.53 0.00 0.00 176.83 178.05 1pgw h ASN 58 N 0.86 0.10 -0.03 6.23 -0.26 -0.99 -3.10 115.58 118.38 1pgw h ASN 58 Ca 0.19 -0.31 0.03 0.00 -0.56 0.00 0.00 56.30 55.65 1pgw h ASN 58 Cb 0.32 -0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 37.52 1pgw h ASN 58 CO -0.00 0.38 -0.16 0.25 -1.06 0.00 0.00 177.43 176.85 1pgw h LEU 59 N -0.18 -0.47 -0.75 1.61 5.85 -1.04 -3.05 115.31 117.29 1pgw h LEU 59 Ca 0.02 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1pgw h LEU 59 Cb 0.33 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1pgw h LEU 59 CO 0.00 -0.21 0.43 -0.07 -0.34 0.00 0.00 178.44 178.25 1pgw h LEU 60 N -0.24 0.66 -1.70 2.25 3.38 -1.32 -0.78 115.31 117.55 1pgw h LEU 60 Ca 0.06 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1pgw h LEU 60 Cb 0.33 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1pgw h LEU 60 CO -0.18 0.42 -0.16 0.03 0.09 0.00 0.00 178.44 178.64 1pgw h ARG 61 N 0.79 0.00 -0.00 1.13 3.08 -1.45 -3.11 114.38 114.81 1pgw h ARG 61 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1pgw h ARG 61 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1pgw h ARG 61 CO -0.19 0.16 -0.68 1.55 -1.07 0.00 0.00 179.97 179.75 1pgw n VAL 62 N -3.63 0.00 -2.87 2.04 3.14 -0.95 -4.82 118.33 111.24 1pgw n VAL 62 Ca -0.01 -0.16 -0.43 0.00 -2.96 0.00 0.00 64.34 60.78 1pgw n VAL 62 Cb 0.29 1.02 -0.04 0.00 -1.06 0.00 0.00 33.84 34.04 1pgw n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pgw s ALA 63 N -2.37 3.30 0.07 1.55 0.00 -0.34 -0.52 121.76 123.44 1pgw s ALA 63 Ca 0.06 -0.77 -0.25 0.00 0.00 0.00 0.00 51.96 51.00 1pgw s ALA 63 Cb 0.12 -3.55 -0.17 0.00 0.00 0.00 0.00 23.12 19.52 1pgw s ALA 63 CO 0.60 -1.89 1.61 0.00 0.00 0.00 0.00 175.76 176.09 1pgw h ALA 64 N 8.89 -0.22 -3.28 0.00 0.00 -1.51 -3.42 119.26 119.72 1pgw h ALA 64 Ca -0.24 -0.08 -0.66 0.00 0.00 0.00 0.00 54.91 53.92 1pgw h ALA 64 Cb 1.08 0.08 -0.29 0.00 0.00 0.00 0.00 17.79 18.67 1pgw h ALA 64 CO 0.99 -0.58 -0.80 -1.58 0.00 0.00 0.00 179.25 177.28 1pgw s TRP 65 N -5.79 2.75 0.25 0.00 0.52 0.06 -4.21 118.94 112.53 1pgw s TRP 65 Ca -0.14 -0.84 0.11 0.00 0.02 0.00 0.00 56.10 55.25 1pgw s TRP 65 Cb 0.05 -1.83 -0.05 0.00 -1.15 0.00 0.00 33.47 30.48 1pgw s TRP 65 CO 0.64 -0.33 -0.20 0.15 0.02 0.00 0.00 176.95 177.23 1pgw s LYS 66 N 0.49 1.60 -0.29 4.98 1.02 -0.92 -0.84 119.74 125.78 1pgw s LYS 66 Ca -0.11 -1.70 -0.19 0.00 0.02 0.00 0.00 55.97 54.00 1pgw s LYS 66 Cb -0.16 -1.68 0.14 0.00 -0.52 0.00 0.00 37.83 35.61 1pgw s LYS 66 CO 0.05 0.32 1.01 0.21 -0.92 0.00 0.00 175.35 176.02 1pgw s LYS 67 N -3.38 0.39 0.00 1.68 2.20 -0.26 -1.10 119.74 119.27 1pgw s LYS 67 Ca 0.27 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 1pgw s LYS 67 Cb -0.05 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1pgw s LYS 67 CO 0.13 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 1pgw n GLY 68 N 3.23 0.58 3.90 5.54 0.00 -0.84 -0.79 105.19 116.82 1pgw n GLY 68 Ca -0.17 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.26 1pgw n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgw s LEU 70 N -3.18 2.20 -0.12 0.00 1.43 -0.59 -2.87 118.68 115.54 1pgw s LEU 70 Ca 0.42 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1pgw s LEU 70 Cb -0.11 0.05 -0.04 0.00 0.03 0.00 0.00 46.19 46.12 1pgw s LEU 70 CO 0.27 -0.24 0.03 -0.32 0.23 0.00 0.00 176.35 176.33 1pgw s MET 71 N -1.22 3.39 -0.08 1.70 1.75 0.84 -0.97 119.30 124.71 1pgw s MET 71 Ca -0.13 -0.36 0.04 0.00 -1.25 0.00 0.00 55.69 54.00 1pgw s MET 71 Cb -0.08 -2.98 -0.01 0.00 2.84 0.00 0.00 34.83 34.60 1pgw s MET 71 CO -0.01 0.55 -0.22 0.08 -0.65 0.00 0.00 175.02 174.77 1pgw s VAL 72 N -0.43 2.31 -0.08 10.11 1.01 0.18 -0.34 120.40 133.15 1pgw s VAL 72 Ca 0.09 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1pgw s VAL 72 Cb -0.12 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1pgw s VAL 72 CO 0.02 0.56 -0.08 -0.75 0.00 0.00 0.00 175.10 174.85 1pgw s LYS 73 N -0.01 1.43 -0.15 2.72 2.20 -0.26 -0.84 119.74 124.82 1pgw s LYS 73 Ca -0.07 -0.26 -0.02 0.00 -0.36 0.00 0.00 55.97 55.26 1pgw s LYS 73 Cb -0.15 -1.37 -0.01 0.00 -1.51 0.00 0.00 37.83 34.78 1pgw s LYS 73 CO 0.05 -0.14 -0.10 0.08 -0.36 0.00 0.00 175.35 174.89 1pgw s VAL 74 N 1.24 3.25 -0.15 4.02 1.01 0.12 -0.89 120.40 128.99 1pgw s VAL 74 Ca -0.04 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1pgw s VAL 74 Cb -0.14 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.85 1pgw s VAL 74 CO -0.03 0.50 -0.21 -0.69 0.00 0.00 0.00 175.10 174.68 1pgw s VAL 75 N 0.61 2.14 -0.26 2.92 1.01 -0.33 -0.27 120.40 126.23 1pgw s VAL 75 Ca -0.06 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 1pgw s VAL 75 Cb -0.15 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1pgw s VAL 75 CO 0.03 0.54 0.10 -0.32 0.00 0.00 0.00 175.10 175.45 1pgw s MET 76 N 0.93 3.67 -0.28 2.72 1.75 -0.09 -1.24 119.30 126.77 1pgw s MET 76 Ca -0.04 -0.48 -0.04 0.00 -1.25 0.00 0.00 55.69 53.88 1pgw s MET 76 Cb -0.15 -3.41 0.02 0.00 2.84 0.00 0.00 34.83 34.13 1pgw s MET 76 CO -0.04 -0.21 0.02 -1.12 -0.65 0.00 0.00 175.02 173.01 1pgw s SER 77 N 1.64 4.78 0.02 1.11 0.01 -0.32 -2.41 113.70 118.53 1pgw s SER 77 Ca 0.06 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.51 1pgw s SER 77 Cb -0.15 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.30 1pgw s SER 77 CO 0.05 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1pgw n GLY 78 N 4.77 1.76 3.58 3.44 0.00 0.21 -1.44 105.19 117.51 1pgw n GLY 78 Ca -0.15 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 1pgw n GLY 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pgw s ASN 79 N -1.00 6.39 0.36 1.61 3.84 0.68 -4.82 114.94 121.99 1pgw s ASN 79 Ca 0.00 0.03 0.27 0.00 0.21 0.00 0.00 52.86 53.37 1pgw s ASN 79 Cb 0.00 -2.55 1.11 0.00 -0.55 0.00 0.00 41.25 39.25 1pgw s ASN 79 CO 0.00 -1.55 1.81 0.00 -2.79 0.00 0.00 177.10 174.57 1pgw h ALA 80 N 9.68 1.00 0.00 1.71 0.00 -1.91 -3.07 119.26 126.68 1pgw h ALA 80 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1pgw h ALA 80 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1pgw h ALA 80 CO 1.20 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.45 1pgw h ALA 81 N 2.18 1.00 -2.48 0.00 0.00 -1.99 -3.43 119.26 114.53 1pgw h ALA 81 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1pgw h ALA 81 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1pgw h ALA 81 CO 0.00 0.00 0.46 0.08 0.00 0.00 0.00 179.25 179.79 1pgw s VAL 82 N -3.51 4.38 0.47 0.00 1.01 -1.16 -5.00 120.40 116.59 1pgw s VAL 82 Ca 0.03 1.77 -0.22 0.00 0.00 0.00 0.00 61.98 63.56 1pgw s VAL 82 Cb 0.08 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 1pgw s VAL 82 CO 0.57 0.17 1.15 -0.54 0.00 0.00 0.00 175.10 176.45 1pgw s LYS 83 N 0.77 3.72 0.30 2.72 1.02 -1.26 -4.90 119.74 122.12 1pgw s LYS 83 Ca 0.54 1.72 0.04 0.00 0.02 0.00 0.00 55.97 58.28 1pgw s LYS 83 Cb -0.26 -2.34 0.64 0.00 -0.52 0.00 0.00 37.83 35.35 1pgw s LYS 83 CO 0.29 -0.57 1.84 -0.09 -0.92 0.00 0.00 175.35 175.91 1pgw h ARG 84 N 1.93 0.88 0.00 1.68 2.43 -1.94 0.57 114.38 119.93 1pgw h ARG 84 Ca -0.49 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1pgw h ARG 84 Cb 1.25 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1pgw h ARG 84 CO 0.60 0.58 -0.01 0.66 -1.51 0.00 0.00 179.97 180.29 1pgw h SER 85 N 0.90 0.00 -0.29 -3.80 4.64 -2.04 -1.99 113.55 110.98 1pgw h SER 85 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1pgw h SER 85 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1pgw h SER 85 CO -0.26 0.01 0.00 0.47 -0.87 0.00 0.00 176.83 176.18 1pgw n ASP 86 N -3.15 3.14 -4.70 4.97 10.43 0.19 -4.95 116.55 122.47 1pgw n ASP 86 Ca -0.02 -1.95 -0.42 0.00 2.57 0.00 0.00 54.79 54.97 1pgw n ASP 86 Cb 0.15 -0.18 -0.03 0.00 1.84 0.00 0.00 41.12 42.90 1pgw n ASP 86 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 1pgw s TRP 87 N -1.64 2.48 -0.45 1.24 -0.11 -0.75 -4.89 118.94 114.82 1pgw s TRP 87 Ca 0.36 0.14 0.07 0.00 1.22 0.00 0.00 56.10 57.89 1pgw s TRP 87 Cb 0.22 -4.16 0.25 0.00 -1.50 0.00 0.00 33.47 28.27 1pgw s TRP 87 CO 0.31 -4.62 0.74 0.00 -4.62 0.00 0.00 176.95 168.76 1pgw n ALA 88 N 4.95 0.21 -3.28 5.86 0.00 -1.26 -5.10 120.51 121.88 1pgw n ALA 88 Ca 0.17 -2.24 -0.14 0.00 0.00 0.00 0.00 53.44 51.23 1pgw n ALA 88 Cb 0.37 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 1pgw n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pgw s SER 89 N -1.49 -0.40 -0.01 0.00 0.15 -1.26 -4.82 113.70 105.86 1pgw s SER 89 Ca 0.33 0.16 -0.27 0.00 0.70 0.00 0.00 55.95 56.87 1pgw s SER 89 Cb 0.21 0.47 0.06 0.00 -1.71 0.00 0.00 66.02 65.05 1pgw s SER 89 CO -0.19 -0.68 0.61 -1.48 1.20 0.00 0.00 173.24 172.70 1pgw s LEU 90 N -1.90 -0.40 -0.04 3.45 0.05 -1.14 -4.73 118.68 113.97 1pgw s LEU 90 Ca -0.06 0.49 0.03 0.00 0.05 0.00 0.00 54.13 54.64 1pgw s LEU 90 Cb -0.01 2.35 0.00 0.00 -2.05 0.00 0.00 46.19 46.48 1pgw s LEU 90 CO -0.01 -0.65 -0.13 0.54 -0.55 0.00 0.00 176.35 175.55 1pgw s VAL 91 N -1.67 1.14 -0.21 1.48 0.11 -0.20 -1.25 120.40 119.80 1pgw s VAL 91 Ca -0.09 -0.53 -0.10 0.00 -2.93 0.00 0.00 61.98 58.33 1pgw s VAL 91 Cb -0.01 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.79 1pgw s VAL 91 CO 0.05 0.34 0.13 -1.10 -3.33 0.00 0.00 175.10 171.20 1pgw s GLN 92 N 0.28 4.14 -0.09 1.54 -0.21 -0.60 -0.93 119.66 123.79 1pgw s GLN 92 Ca -0.07 -0.24 0.01 0.00 0.02 0.00 0.00 55.36 55.08 1pgw s GLN 92 Cb -0.12 -3.43 -0.03 0.00 1.00 0.00 0.00 33.01 30.43 1pgw s GLN 92 CO 0.02 0.24 -0.09 0.08 -2.12 0.00 0.00 175.29 173.42 1pgw s VAL 93 N 0.53 3.45 -0.01 1.09 1.01 0.49 -1.48 120.40 125.48 1pgw s VAL 93 Ca 0.08 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.55 1pgw s VAL 93 Cb -0.12 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1pgw s VAL 93 CO -0.00 0.56 -0.15 -0.36 0.00 0.00 0.00 175.10 175.15 1pgw s PHE 94 N -0.35 1.33 -0.22 5.22 0.08 0.21 -0.81 117.98 123.45 1pgw s PHE 94 Ca 0.04 -0.26 -0.04 0.00 0.12 0.00 0.00 56.93 56.79 1pgw s PHE 94 Cb -0.12 -0.86 -0.01 0.00 -0.57 0.00 0.00 43.02 41.45 1pgw s PHE 94 CO 0.02 -0.03 -0.03 -1.17 -0.10 0.00 0.00 175.22 173.91 1pgw s LEU 95 N -0.32 2.95 0.03 -0.37 2.96 -0.64 -0.85 118.68 122.44 1pgw s LEU 95 Ca 0.05 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1pgw s LEU 95 Cb -0.06 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 1pgw s LEU 95 CO -0.00 -0.01 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.10 1pgw s THR 96 N 1.41 0.15 -1.03 3.68 2.01 -0.72 -0.05 115.64 121.09 1pgw s THR 96 Ca 0.05 -1.12 0.27 0.00 0.31 0.00 0.00 61.69 61.20 1pgw s THR 96 Cb -0.14 -0.56 0.15 0.00 0.01 0.00 0.00 72.50 71.96 1pgw s THR 96 CO -0.02 -0.61 1.72 -0.46 -0.69 0.00 0.00 174.62 174.55 1pgw n ASN 97 N 1.25 0.22 -3.79 3.53 2.04 -1.26 0.00 115.26 117.26 1pgw n ASN 97 Ca -0.22 0.15 -0.10 0.00 -0.44 0.00 0.00 54.58 53.98 1pgw n ASN 97 Cb 0.56 -0.18 -0.07 0.00 -2.53 0.00 0.00 39.78 37.57 1pgw n ASN 97 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1pgw s SER 98 N -2.98 0.00 0.24 0.53 0.15 -1.26 -1.98 113.70 108.41 1pgw s SER 98 Ca 0.13 -0.51 0.24 0.00 0.70 0.00 0.00 55.95 56.52 1pgw s SER 98 Cb 0.18 0.37 0.46 0.00 -1.71 0.00 0.00 66.02 65.32 1pgw s SER 98 CO 0.60 -0.74 1.51 0.78 1.20 0.00 0.00 173.24 176.59 1pgw h ASN 99 N 2.73 0.00 -4.01 5.45 -0.26 -1.98 -3.47 115.58 114.04 1pgw h ASN 99 Ca -0.34 -0.06 -0.55 0.00 -0.56 0.00 0.00 56.30 54.80 1pgw h ASN 99 Cb 1.21 0.00 0.13 0.00 -1.06 0.00 0.00 38.32 38.60 1pgw h ASN 99 CO 0.53 0.03 0.67 -0.55 -1.06 0.00 0.00 177.43 177.04 1pgw s SER 100 N -4.99 5.63 0.07 5.81 0.15 -1.26 -4.88 113.70 114.22 1pgw s SER 100 Ca 0.07 2.87 0.27 0.00 0.70 0.00 0.00 55.95 59.86 1pgw s SER 100 Cb 0.10 -2.65 1.06 0.00 -1.71 0.00 0.00 66.02 62.82 1pgw s SER 100 CO 0.67 -1.34 1.84 0.35 1.20 0.00 0.00 173.24 175.96 1pgw n THR 101 N -0.52 0.29 0.85 6.45 -2.24 -1.26 -2.88 114.28 114.97 1pgw n THR 101 Ca 0.07 -0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.91 1pgw n THR 101 Cb 0.43 -0.60 0.48 0.00 -2.10 0.00 0.00 70.33 68.54 1pgw n THR 101 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pgw n GLU 102 N -1.73 0.17 -3.81 -0.78 1.02 -1.26 -4.69 120.64 109.55 1pgw n GLU 102 Ca 0.06 0.12 -0.36 0.00 -0.02 0.00 0.00 57.16 56.96 1pgw n GLU 102 Cb 0.34 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 1pgw n GLU 102 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1pgw s HIS 103 N -2.76 3.46 0.78 -0.32 3.76 -1.14 -5.10 115.29 113.97 1pgw s HIS 103 Ca 0.15 0.38 -0.12 0.00 -0.15 0.00 0.00 55.06 55.32 1pgw s HIS 103 Cb 0.14 -2.07 0.06 0.00 1.11 0.00 0.00 32.58 31.82 1pgw s HIS 103 CO 0.34 0.44 1.15 -0.06 -0.85 0.00 0.00 174.74 175.75 1pgw s PHE 104 N -0.14 3.04 0.16 1.40 0.40 -1.26 -4.98 117.98 116.60 1pgw s PHE 104 Ca 0.10 0.87 -0.25 0.00 -0.60 0.00 0.00 56.93 57.05 1pgw s PHE 104 Cb -0.11 -3.34 -0.08 0.00 0.51 0.00 0.00 43.02 39.99 1pgw s PHE 104 CO 0.00 -1.62 0.76 -0.51 0.70 0.00 0.00 175.22 174.56 1pgw s ASP 105 N -4.46 7.37 0.09 1.36 -0.00 -1.26 -4.70 116.67 115.07 1pgw s ASP 105 Ca 0.61 1.62 -0.01 0.00 -0.00 0.00 0.00 52.55 54.77 1pgw s ASP 105 Cb -0.11 -2.49 -0.26 0.00 -0.00 0.00 0.00 42.92 40.06 1pgw s ASP 105 CO 0.50 0.21 1.18 0.00 -0.00 0.00 0.00 175.17 177.06 1pgw h ALA 106 N 4.34 0.18 -2.97 5.23 0.00 -0.85 -3.48 119.26 121.71 1pgw h ALA 106 Ca -0.47 -0.90 0.02 0.00 0.00 0.00 0.00 54.91 53.56 1pgw h ALA 106 Cb 1.21 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1pgw h ALA 106 CO 0.66 1.07 0.17 0.00 0.00 0.00 0.00 179.25 181.15 1pgw s ARG 108 N -3.87 0.59 0.08 0.00 3.52 -1.26 -1.62 118.95 116.38 1pgw s ARG 108 Ca 0.09 0.75 -0.00 0.00 -0.13 0.00 0.00 55.73 56.43 1pgw s ARG 108 Cb -0.04 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.57 1pgw s ARG 108 CO 0.00 -0.08 -0.02 -1.58 -0.81 0.00 0.00 175.30 172.81 1pgw s TRP 109 N 0.44 0.71 -0.10 5.12 0.51 0.01 -5.00 118.94 120.63 1pgw s TRP 109 Ca -0.01 -1.07 -0.03 0.00 -2.12 0.00 0.00 56.10 52.86 1pgw s TRP 109 Cb -0.04 -0.45 0.05 0.00 -0.81 0.00 0.00 33.47 32.22 1pgw s TRP 109 CO -0.02 -0.35 0.13 0.99 -0.51 0.00 0.00 176.95 177.19 1pgw s THR 110 N -3.87 -0.20 -0.07 2.01 2.01 -1.26 -0.38 115.64 113.88 1pgw s THR 110 Ca 0.12 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.37 1pgw s THR 110 Cb 0.07 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 1pgw s THR 110 CO -0.06 0.03 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.23 1pgw s LYS 111 N 2.24 2.78 0.00 4.92 -0.14 -0.11 -4.98 119.74 124.45 1pgw s LYS 111 Ca 0.04 -0.69 0.00 0.00 -1.36 0.00 0.00 55.97 53.96 1pgw s LYS 111 Cb -0.13 -2.46 0.00 0.00 -1.68 0.00 0.00 37.83 33.56 1pgw s LYS 111 CO -0.06 0.50 0.90 -1.13 -0.76 0.00 0.00 175.35 174.80 1pgw n SER 112 N 2.69 0.00 -4.77 2.83 3.41 -1.26 -1.04 113.62 115.48 1pgw n SER 112 Ca -0.17 -1.82 -0.40 0.00 -0.26 0.00 0.00 58.87 56.21 1pgw n SER 112 Cb 0.52 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.30 1pgw n SER 112 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1pgw s GLU 113 N 0.00 4.11 0.33 4.33 8.01 -1.26 -4.89 118.70 129.33 1pgw s GLU 113 Ca 0.00 2.32 -0.29 0.00 0.01 0.00 0.00 54.97 57.02 1pgw s GLU 113 Cb 0.00 -2.91 -0.10 0.00 -4.31 0.00 0.00 34.13 26.81 1pgw s GLU 113 CO 0.00 -0.44 1.29 -2.14 0.01 0.00 0.00 175.26 173.99 1pgw s PRO 114 N -2.07 4.35 0.00 0.39 0.02 -1.26 -4.07 135.00 132.36 1pgw s PRO 114 Ca 0.53 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1pgw s PRO 114 Cb -0.42 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1pgw s PRO 114 CO 0.55 -0.18 0.00 0.72 -0.33 0.00 0.00 177.00 177.76 1pgw n HIS 115 N 0.77 0.00 -3.55 6.54 8.25 -1.26 -4.81 115.22 121.17 1pgw n HIS 115 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1pgw n HIS 115 Cb 0.42 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.48 1pgw n HIS 115 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1pgw s SER 116 N 0.00 -0.45 0.29 0.41 1.04 -1.26 0.67 113.70 114.40 1pgw s SER 116 Ca 0.00 0.42 -0.11 0.00 0.48 0.00 0.00 55.95 56.74 1pgw s SER 116 Cb 0.00 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.51 1pgw s SER 116 CO 0.00 -0.47 0.53 -1.66 0.98 0.00 0.00 173.24 172.62 1pgw s TRP 117 N -1.47 0.47 -0.03 5.02 1.48 -1.01 -4.76 118.94 118.63 1pgw s TRP 117 Ca -0.03 -0.85 -0.07 0.00 -1.06 0.00 0.00 56.10 54.09 1pgw s TRP 117 Cb -0.00 0.24 0.01 0.00 -1.16 0.00 0.00 33.47 32.55 1pgw s TRP 117 CO 0.02 -1.12 0.16 -2.00 -4.06 0.00 0.00 176.95 169.95 1pgw s GLU 118 N -3.55 0.35 -0.04 3.25 2.12 -1.26 -0.91 118.70 118.65 1pgw s GLU 118 Ca 0.23 -0.09 -0.02 0.00 0.36 0.00 0.00 54.97 55.45 1pgw s GLU 118 Cb -0.01 0.15 0.03 0.00 0.26 0.00 0.00 34.13 34.56 1pgw s GLU 118 CO 0.12 -0.07 0.05 -1.17 -0.54 0.00 0.00 175.26 173.65 1pgw s LEU 119 N -0.67 0.21 -0.07 2.70 2.96 0.63 -4.97 118.68 119.48 1pgw s LEU 119 Ca -0.08 0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 1pgw s LEU 119 Cb -0.04 -0.16 -0.00 0.00 0.50 0.00 0.00 46.19 46.48 1pgw s LEU 119 CO 0.01 -0.24 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.97 1pgw s ILE 120 N 2.11 1.70 0.09 6.68 1.01 -1.26 0.13 121.20 131.66 1pgw s ILE 120 Ca 0.04 -0.84 -0.25 0.00 0.00 0.00 0.00 60.65 59.61 1pgw s ILE 120 Cb -0.12 -1.47 0.07 0.00 0.01 0.00 0.00 42.46 40.94 1pgw s ILE 120 CO -0.03 0.48 0.61 0.72 0.00 0.00 0.00 174.94 176.72 1pgw s PHE 121 N 0.23 -0.55 0.17 3.97 -0.12 -0.02 -4.99 117.98 116.67 1pgw s PHE 121 Ca -0.11 0.56 0.01 0.00 -0.05 0.00 0.00 56.93 57.33 1pgw s PHE 121 Cb -0.15 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 1pgw s PHE 121 CO 0.05 -0.76 0.34 -1.25 -0.05 0.00 0.00 175.22 173.55 1pgw s PRO 122 N -2.91 3.49 0.15 1.99 0.04 -1.26 0.47 135.00 136.97 1pgw s PRO 122 Ca -0.03 -0.44 0.06 0.00 0.04 0.00 0.00 61.00 60.62 1pgw s PRO 122 Cb -0.01 -2.90 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 1pgw s PRO 122 CO -0.05 0.46 -0.12 0.96 0.04 0.00 0.00 177.00 178.28 1pgw s ILE 123 N -1.79 1.35 -0.01 0.56 -4.36 -0.15 -4.92 121.20 111.87 1pgw s ILE 123 Ca 0.37 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.79 1pgw s ILE 123 Cb -0.11 -1.77 0.01 0.00 1.25 0.00 0.00 42.46 41.84 1pgw s ILE 123 CO 0.29 -0.60 0.00 -0.70 0.24 0.00 0.00 174.94 174.17 1pgw s GLU 124 N -3.34 0.13 -0.29 0.37 2.12 -1.26 -1.54 118.70 114.89 1pgw s GLU 124 Ca 0.15 0.04 -0.14 0.00 0.36 0.00 0.00 54.97 55.38 1pgw s GLU 124 Cb -0.01 -0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.10 1pgw s GLU 124 CO 0.03 -0.07 0.34 0.08 -0.54 0.00 0.00 175.26 175.10 1pgw s VAL 125 N 0.54 5.19 -0.10 3.70 1.01 0.18 -4.94 120.40 125.99 1pgw s VAL 125 Ca -0.05 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.30 1pgw s VAL 125 Cb -0.07 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1pgw s VAL 125 CO -0.01 0.10 -0.12 0.00 0.00 0.00 0.00 175.10 175.06 1pgw s GLY 127 N 1.12 2.50 0.32 0.00 0.00 0.39 -4.75 107.32 106.89 1pgw s GLY 127 Ca -0.05 -1.47 0.17 0.00 0.00 0.00 0.00 44.72 43.37 1pgw s GLY 127 CO -0.02 -1.93 1.49 -0.56 0.00 0.00 0.00 173.10 172.08 1pgw h PRO 128 N 1.81 0.00 0.23 2.90 0.13 -1.80 -2.67 132.00 132.60 1pgw h PRO 128 Ca -0.40 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 1pgw h PRO 128 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1pgw h PRO 128 CO 0.67 0.38 -0.12 -0.97 -0.23 0.00 0.00 178.00 177.73 1pgw h ASN 129 N 0.00 -0.30 -0.28 1.44 -0.00 -1.81 -3.39 115.58 111.24 1pgw h ASN 129 Ca -0.00 0.01 -0.24 0.00 -0.00 0.00 0.00 56.30 56.07 1pgw h ASN 129 Cb 1.29 0.08 -0.25 0.00 -0.00 0.00 0.00 38.32 39.44 1pgw h ASN 129 CO 0.05 -0.20 -0.64 -3.20 -0.00 0.00 0.00 177.43 173.44 1pgw n ASN 130 N -2.96 -0.47 0.00 1.15 5.15 -1.26 -4.75 115.26 112.12 1pgw n ASN 130 Ca -0.04 -2.36 0.00 0.00 -0.60 0.00 0.00 54.58 51.58 1pgw n ASN 130 Cb 0.13 0.33 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 1pgw n ASN 130 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pgw n GLY 131 N -0.78 1.07 3.80 8.20 0.00 -1.01 -4.99 105.19 111.49 1pgw n GLY 131 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1pgw n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pgw s PHE 132 N -2.46 3.80 -0.05 1.61 0.08 -1.23 -0.46 117.98 119.26 1pgw s PHE 132 Ca 0.00 1.37 0.04 0.00 0.12 0.00 0.00 56.93 58.46 1pgw s PHE 132 Cb 0.00 -2.58 -0.00 0.00 -0.57 0.00 0.00 43.02 39.87 1pgw s PHE 132 CO 0.00 0.52 -0.16 -2.00 -0.10 0.00 0.00 175.22 173.48 1pgw s GLU 133 N -1.31 1.75 -0.17 0.44 2.12 -0.25 -1.93 118.70 119.34 1pgw s GLU 133 Ca 0.33 -0.57 -0.11 0.00 0.36 0.00 0.00 54.97 54.98 1pgw s GLU 133 Cb -0.20 -1.51 -0.05 0.00 0.26 0.00 0.00 34.13 32.64 1pgw s GLU 133 CO 0.21 0.21 0.19 1.41 -0.54 0.00 0.00 175.26 176.74 1pgw s MET 134 N 0.12 4.14 -0.33 4.30 -2.45 -1.26 -2.16 119.30 121.66 1pgw s MET 134 Ca -0.05 -0.09 -0.39 0.00 -1.25 0.00 0.00 55.69 53.91 1pgw s MET 134 Cb -0.12 -3.40 -0.14 0.00 1.25 0.00 0.00 34.83 32.42 1pgw s MET 134 CO 0.02 0.33 1.96 1.87 1.05 0.00 0.00 175.02 180.26 1pgw n TRP 135 N 3.36 1.79 -2.87 4.11 -0.00 -1.26 -2.25 117.44 120.32 1pgw n TRP 135 Ca -0.15 0.46 -0.12 0.00 -0.00 0.00 0.00 57.50 57.69 1pgw n TRP 135 Cb 0.52 -2.47 -0.01 0.00 -0.00 0.00 0.00 31.31 29.35 1pgw n TRP 135 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1pgw n SER 136 N 7.31 -2.34 -4.77 5.87 7.64 -0.45 -4.88 113.62 122.00 1pgw n SER 136 Ca 0.35 0.07 -0.40 0.00 1.01 0.00 0.00 58.87 59.90 1pgw n SER 136 Cb 0.15 -2.05 -0.01 0.00 -1.01 0.00 0.00 64.21 61.28 1pgw n SER 136 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1pgw s SER 137 N -2.28 6.58 0.55 6.43 0.15 -0.95 -4.80 113.70 119.36 1pgw s SER 137 Ca 0.17 2.64 0.34 0.00 0.70 0.00 0.00 55.95 59.79 1pgw s SER 137 Cb -0.09 -2.64 1.41 0.00 -1.71 0.00 0.00 66.02 62.98 1pgw s SER 137 CO 0.20 -0.66 1.99 -0.08 1.20 0.00 0.00 173.24 175.89 1pgw h GLU 138 N 3.04 0.00 0.00 5.44 4.81 -1.90 -0.27 114.58 125.71 1pgw h GLU 138 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1pgw h GLU 138 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1pgw h GLU 138 CO 0.64 0.00 0.00 1.87 -0.73 0.00 0.00 179.01 180.79 1pgw n TRP 139 N -3.05 0.00 0.13 0.92 -0.00 -1.26 -2.19 117.44 111.99 1pgw n TRP 139 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.41 1pgw n TRP 139 Cb 0.29 0.00 0.07 0.00 -0.00 0.00 0.00 31.31 31.67 1pgw n TRP 139 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1pgw n ALA 140 N -3.00 3.70 -3.37 5.87 0.00 -1.26 -4.69 120.51 117.75 1pgw n ALA 140 Ca 0.00 -1.08 -0.16 0.00 0.00 0.00 0.00 53.44 52.19 1pgw n ALA 140 Cb 0.00 -1.17 0.08 0.00 0.00 0.00 0.00 19.45 18.36 1pgw n ALA 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pgw n ASN 141 N -0.09 -3.62 -4.40 0.00 4.13 -0.93 -4.99 115.26 105.35 1pgw n ASN 141 Ca 0.22 -0.66 -0.29 0.00 1.68 0.00 0.00 54.58 55.53 1pgw n ASN 141 Cb 0.92 -5.13 0.18 0.00 -1.54 0.00 0.00 39.78 34.21 1pgw n ASN 141 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1pgw s GLN 142 N -5.04 0.23 0.00 3.52 -0.21 -0.11 -4.99 119.66 113.06 1pgw s GLN 142 Ca 0.16 0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.68 1pgw s GLN 142 Cb -0.02 -1.75 0.00 0.00 1.00 0.00 0.00 33.01 32.24 1pgw s GLN 142 CO 0.74 -2.78 0.00 -2.37 -2.12 0.00 0.00 175.29 168.75 1pgw n THR 143 N -4.14 0.00 -2.39 -0.19 5.66 -1.26 -3.93 114.28 108.03 1pgw n THR 143 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1pgw n THR 143 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1pgw n THR 143 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1pgw n SER 144 N 0.00 0.00 -3.74 1.09 2.88 -0.84 -1.34 113.62 111.67 1pgw n SER 144 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 1pgw n SER 144 Cb 0.00 0.00 -0.18 0.00 -0.75 0.00 0.00 64.21 63.28 1pgw n SER 144 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1pgw s TRP 145 N -1.95 0.47 -0.07 0.66 0.23 -1.26 -4.28 118.94 112.74 1pgw s TRP 145 Ca 0.00 -0.03 0.03 0.00 -2.03 0.00 0.00 56.10 54.07 1pgw s TRP 145 Cb 0.00 -0.69 -0.02 0.00 0.03 0.00 0.00 33.47 32.79 1pgw s TRP 145 CO 0.00 -0.28 -0.14 -1.01 0.96 0.00 0.00 176.95 176.48 1pgw s HIS 146 N 1.99 2.72 -0.28 -1.98 3.76 0.10 -1.20 115.29 120.39 1pgw s HIS 146 Ca 0.04 -0.31 -0.04 0.00 -0.15 0.00 0.00 55.06 54.60 1pgw s HIS 146 Cb -0.12 -1.69 0.03 0.00 1.11 0.00 0.00 32.58 31.91 1pgw s HIS 146 CO -0.04 0.06 0.01 -1.17 -0.85 0.00 0.00 174.74 172.74 1pgw s LEU 147 N -0.41 3.63 -0.02 0.89 2.96 0.08 -1.75 118.68 124.04 1pgw s LEU 147 Ca 0.05 -0.94 0.01 0.00 -0.22 0.00 0.00 54.13 53.03 1pgw s LEU 147 Cb -0.12 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1pgw s LEU 147 CO 0.02 -0.19 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.40 1pgw s SER 148 N 1.37 5.00 -0.04 3.68 0.01 -0.03 -0.44 113.70 123.24 1pgw s SER 148 Ca -0.00 -0.00 0.04 0.00 1.31 0.00 0.00 55.95 57.30 1pgw s SER 148 Cb -0.18 -1.30 -0.00 0.00 0.21 0.00 0.00 66.02 64.75 1pgw s SER 148 CO -0.01 0.31 -0.17 -0.36 0.41 0.00 0.00 173.24 173.41 1pgw s PHE 149 N -1.00 1.73 -0.33 2.43 0.40 -0.27 -0.61 117.98 120.34 1pgw s PHE 149 Ca 0.17 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1pgw s PHE 149 Cb -0.11 -1.16 0.08 0.00 0.51 0.00 0.00 43.02 42.33 1pgw s PHE 149 CO 0.07 -0.16 0.04 -1.17 0.70 0.00 0.00 175.22 174.70 1pgw s LEU 150 N 0.01 4.36 -0.44 -0.37 0.20 -0.55 -2.37 118.68 119.51 1pgw s LEU 150 Ca -0.03 -1.68 -0.19 0.00 0.69 0.00 0.00 54.13 52.92 1pgw s LEU 150 Cb -0.11 -1.70 0.03 0.00 -0.43 0.00 0.00 46.19 43.98 1pgw s LEU 150 CO 0.02 -0.35 0.55 -0.69 -0.29 0.00 0.00 176.35 175.60 1pgw s VAL 151 N 1.12 4.94 -0.40 1.68 1.01 0.26 -1.56 120.40 127.45 1pgw s VAL 151 Ca 0.01 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.56 1pgw s VAL 151 Cb -0.20 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.04 1pgw s VAL 151 CO -0.04 -0.57 0.79 -0.62 0.00 0.00 0.00 175.10 174.66 1pgw s ASP 152 N 2.05 6.49 -0.10 3.32 3.68 -0.38 -1.28 116.67 130.44 1pgw s ASP 152 Ca 0.17 0.15 -0.00 0.00 2.13 0.00 0.00 52.55 55.00 1pgw s ASP 152 Cb -0.16 -2.39 -0.00 0.00 -1.45 0.00 0.00 42.92 38.91 1pgw s ASP 152 CO 0.15 -0.82 0.10 -3.20 0.13 0.00 0.00 175.17 171.54 1pgw n ASN 153 N 6.57 -2.81 0.07 -0.34 2.85 -0.34 -2.90 115.26 118.36 1pgw n ASN 153 Ca 0.03 -0.01 0.04 0.00 -0.11 0.00 0.00 54.58 54.52 1pgw n ASN 153 Cb 0.48 -1.59 0.21 0.00 1.24 0.00 0.00 39.78 40.12 1pgw n ASN 153 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1pgw n PRO 154 N -1.12 0.05 0.07 1.20 -0.02 -1.26 -1.87 135.00 132.06 1pgw n PRO 154 Ca -0.00 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 62.10 1pgw n PRO 154 Cb 0.50 -1.76 0.21 0.00 -0.02 0.00 0.00 33.50 32.44 1pgw n PRO 154 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1pgw h LYS 155 N 0.00 0.00 0.00 -0.52 1.57 -1.92 -3.34 116.57 112.36 1pgw h LYS 155 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 1pgw h LYS 155 Cb 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 1pgw h LYS 155 CO 0.00 0.00 -1.73 1.04 -0.57 0.00 0.00 179.45 178.19 1pgw n GLN 156 N -2.18 0.48 -2.87 3.15 6.02 -0.78 -4.59 117.38 116.61 1pgw n GLN 156 Ca 0.04 0.21 -0.44 0.00 -0.01 0.00 0.00 57.00 56.79 1pgw n GLN 156 Cb 0.44 -1.33 -0.00 0.00 1.02 0.00 0.00 30.24 30.37 1pgw n GLN 156 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1pgw s SER 157 N -6.65 7.02 -0.03 1.08 0.01 -1.18 -0.23 113.70 113.72 1pgw s SER 157 Ca -0.30 -2.87 0.01 0.00 1.31 0.00 0.00 55.95 54.11 1pgw s SER 157 Cb 0.09 -2.44 -0.26 0.00 0.21 0.00 0.00 66.02 63.63 1pgw s SER 157 CO 0.40 -0.84 0.70 0.71 0.41 0.00 0.00 173.24 174.62 1pgw h THR 158 N 4.87 0.96 -4.25 1.44 1.35 -1.72 -3.42 112.91 112.14 1pgw h THR 158 Ca 0.34 -2.69 -0.60 0.00 -0.55 0.00 0.00 66.41 62.91 1pgw h THR 158 Cb 0.88 2.60 -0.27 0.00 -1.73 0.00 0.00 68.15 69.63 1pgw h THR 158 CO 1.29 0.74 -0.85 -0.89 -0.25 0.00 0.00 175.52 175.56 1pgw s THR 159 N -2.60 1.71 -0.06 6.82 2.01 -0.52 -1.37 115.64 121.63 1pgw s THR 159 Ca -0.10 -1.14 0.01 0.00 0.31 0.00 0.00 61.69 60.76 1pgw s THR 159 Cb 0.07 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 71.14 1pgw s THR 159 CO 0.82 0.29 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.63 1pgw s PHE 160 N -0.72 0.97 -0.09 4.92 0.08 -0.13 -1.17 117.98 121.83 1pgw s PHE 160 Ca 0.08 -0.34 0.03 0.00 0.12 0.00 0.00 56.93 56.82 1pgw s PHE 160 Cb -0.09 -0.84 -0.01 0.00 -0.57 0.00 0.00 43.02 41.51 1pgw s PHE 160 CO 0.01 -0.28 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.17 1pgw s ASP 161 N 1.17 3.68 -0.17 1.36 1.11 -0.37 -0.29 116.67 123.16 1pgw s ASP 161 Ca -0.07 -0.37 0.00 0.00 0.18 0.00 0.00 52.55 52.30 1pgw s ASP 161 Cb -0.14 -1.22 0.00 0.00 1.07 0.00 0.00 42.92 42.64 1pgw s ASP 161 CO -0.01 0.23 -0.15 -0.69 1.18 0.00 0.00 175.17 175.72 1pgw s VAL 162 N -0.04 2.56 0.04 -1.27 1.01 0.08 -1.19 120.40 121.59 1pgw s VAL 162 Ca -0.05 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.23 1pgw s VAL 162 Cb -0.14 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1pgw s VAL 162 CO 0.04 0.51 -0.24 -0.76 0.00 0.00 0.00 175.10 174.65 1pgw s LEU 163 N 1.02 2.29 0.06 3.92 1.02 -0.07 -0.29 118.68 126.63 1pgw s LEU 163 Ca -0.01 -0.54 0.10 0.00 0.02 0.00 0.00 54.13 53.69 1pgw s LEU 163 Cb -0.15 -1.35 -0.03 0.00 0.02 0.00 0.00 46.19 44.68 1pgw s LEU 163 CO -0.04 0.26 -0.26 -0.76 0.02 0.00 0.00 176.35 175.57 1pgw s LEU 164 N -1.26 2.20 -0.08 1.79 1.43 -0.19 -1.10 118.68 121.46 1pgw s LEU 164 Ca 0.12 -0.62 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1pgw s LEU 164 Cb -0.10 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.86 1pgw s LEU 164 CO 0.03 0.24 -0.18 -0.83 0.23 0.00 0.00 176.35 175.84 1pgw s GLY 165 N -1.40 1.04 0.24 -3.19 0.00 0.54 -1.32 107.32 103.23 1pgw s GLY 165 Ca 0.12 -0.67 -0.22 0.00 0.00 0.00 0.00 44.72 43.96 1pgw s GLY 165 CO 0.03 -0.09 0.78 -1.50 0.00 0.00 0.00 173.10 172.31 1pgw s ILE 166 N 0.50 4.47 0.36 0.90 2.07 -1.26 -0.11 121.20 128.13 1pgw s ILE 166 Ca -0.16 1.44 -0.01 0.00 -1.41 0.00 0.00 60.65 60.51 1pgw s ILE 166 Cb -0.17 -3.91 -0.04 0.00 0.13 0.00 0.00 42.46 38.47 1pgw s ILE 166 CO 0.06 0.21 0.59 -0.55 -1.91 0.00 0.00 174.94 173.34 1pgw s SER 167 N -1.61 6.31 0.59 4.50 0.15 -1.14 -4.89 113.70 117.61 1pgw s SER 167 Ca 0.44 0.57 0.31 0.00 0.70 0.00 0.00 55.95 57.97 1pgw s SER 167 Cb -0.18 -2.09 1.85 0.00 -1.71 0.00 0.00 66.02 63.90 1pgw s SER 167 CO 0.22 -0.33 2.25 -0.61 1.20 0.00 0.00 173.24 175.97 1pgw h GLN 168 N 0.81 0.00 -0.12 5.44 5.75 -1.95 -2.58 115.11 122.47 1pgw h GLN 168 Ca -0.49 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1pgw h GLN 168 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 1pgw h GLN 168 CO 0.62 0.01 0.00 0.27 -2.65 0.00 0.00 178.83 177.09 1pgw n ASN 169 N -3.74 2.86 -4.73 -0.69 6.94 -1.26 -4.98 115.26 109.66 1pgw n ASN 169 Ca -0.03 -1.88 -0.42 0.00 -0.02 0.00 0.00 54.58 52.24 1pgw n ASN 169 Cb 0.10 -0.06 -0.03 0.00 -2.36 0.00 0.00 39.78 37.43 1pgw n ASN 169 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1pgw s PHE 170 N -1.61 2.96 -0.01 -2.53 5.36 -0.97 -4.61 117.98 116.57 1pgw s PHE 170 Ca 0.27 0.68 -0.01 0.00 -0.96 0.00 0.00 56.93 56.90 1pgw s PHE 170 Cb 0.18 -3.98 0.01 0.00 -0.34 0.00 0.00 43.02 38.89 1pgw s PHE 170 CO 0.26 -3.49 0.04 -2.00 -1.46 0.00 0.00 175.22 168.57 1pgw s GLU 171 N 0.54 0.03 0.27 10.12 2.12 0.03 -5.00 118.70 126.82 1pgw s GLU 171 Ca 0.68 0.07 0.03 0.00 0.36 0.00 0.00 54.97 56.10 1pgw s GLU 171 Cb -0.45 -0.01 -0.05 0.00 0.26 0.00 0.00 34.13 33.88 1pgw s GLU 171 CO 0.37 -0.02 0.06 0.96 -0.54 0.00 0.00 175.26 176.08 1pgw s ILE 172 N 0.13 0.86 -0.20 -3.70 -4.36 -1.26 -1.11 121.20 111.57 1pgw s ILE 172 Ca -0.01 -2.01 -0.23 0.00 -0.26 0.00 0.00 60.65 58.14 1pgw s ILE 172 Cb -0.01 -2.59 0.06 0.00 1.25 0.00 0.00 42.46 41.17 1pgw s ILE 172 CO -0.00 -0.10 0.63 0.00 0.24 0.00 0.00 174.94 175.70 1pgw s ALA 173 N -3.54 -1.56 0.07 2.27 0.00 -0.02 -4.97 121.76 114.02 1pgw s ALA 173 Ca 0.35 1.65 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1pgw s ALA 173 Cb 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1pgw s ALA 173 CO 0.13 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1pgw n GLY 174 N 2.40 -2.60 3.23 0.00 0.00 -1.26 -0.76 105.19 106.19 1pgw n GLY 174 Ca -0.15 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 1pgw n GLY 174 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pgw s ASN 175 N -4.54 2.79 -0.27 1.61 2.47 -1.26 -2.22 114.94 113.52 1pgw s ASN 175 Ca 0.00 -0.46 -0.10 0.00 0.42 0.00 0.00 52.86 52.71 1pgw s ASN 175 Cb 0.00 -0.77 -0.05 0.00 -1.45 0.00 0.00 41.25 38.99 1pgw s ASN 175 CO 0.00 0.22 0.16 -0.89 -3.72 0.00 0.00 177.10 172.87 1pgw s THR 176 N -0.11 5.09 0.01 -5.21 2.01 0.32 -4.72 115.64 113.04 1pgw s THR 176 Ca -0.04 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 1pgw s THR 176 Cb -0.13 -3.41 -0.07 0.00 0.01 0.00 0.00 72.50 68.90 1pgw s THR 176 CO 0.03 0.28 1.55 -0.76 -0.69 0.00 0.00 174.62 175.03 1pgw s LEU 177 N 1.66 4.33 0.16 4.42 1.43 -1.26 -4.69 118.68 124.74 1pgw s LEU 177 Ca 0.07 2.28 0.07 0.00 -1.03 0.00 0.00 54.13 55.52 1pgw s LEU 177 Cb -0.16 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1pgw s LEU 177 CO 0.09 -0.83 -0.16 -0.04 0.23 0.00 0.00 176.35 175.64 1pgw s MET 178 N 2.85 1.21 0.73 1.70 -1.94 -1.26 -5.12 119.30 117.48 1pgw s MET 178 Ca 0.70 -1.42 -0.11 0.00 -1.71 0.00 0.00 55.69 53.14 1pgw s MET 178 Cb -0.35 -1.12 0.03 0.00 2.01 0.00 0.00 34.83 35.41 1pgw s MET 178 CO 0.29 0.21 1.10 -1.25 -0.01 0.00 0.00 175.02 175.36 1pgw s PRO 179 N -3.06 2.62 0.48 2.03 0.04 -1.26 -4.99 135.00 130.86 1pgw s PRO 179 Ca 0.16 0.53 -0.23 0.00 0.04 0.00 0.00 61.00 61.49 1pgw s PRO 179 Cb -0.04 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1pgw s PRO 179 CO 0.05 -1.22 1.22 0.00 0.04 0.00 0.00 177.00 177.10 1pgw n ALA 180 N -3.14 1.08 -2.72 8.56 0.00 -1.26 -4.96 120.51 118.07 1pgw n ALA 180 Ca 0.07 0.18 -0.38 0.00 0.00 0.00 0.00 53.44 53.31 1pgw n ALA 180 Cb 0.57 -2.25 -0.06 0.00 0.00 0.00 0.00 19.45 17.71 1pgw n ALA 180 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pgw s PHE 181 N -1.28 3.51 0.10 0.00 2.99 -1.26 -5.03 117.98 117.02 1pgw s PHE 181 Ca 0.66 0.96 -0.31 0.00 0.00 0.00 0.00 56.93 58.24 1pgw s PHE 181 Cb -0.47 -2.62 -0.07 0.00 0.00 0.00 0.00 43.02 39.86 1pgw s PHE 181 CO 0.54 0.12 1.29 -1.12 -0.00 0.00 0.00 175.22 176.06 1pgw s SER 182 N 0.71 6.95 -0.27 1.36 0.01 -1.26 -5.01 113.70 116.19 1pgw s SER 182 Ca 0.28 2.20 -0.10 0.00 1.31 0.00 0.00 55.95 59.65 1pgw s SER 182 Cb -0.16 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 1pgw s SER 182 CO 0.12 -0.55 0.15 -0.69 0.41 0.00 0.00 173.24 172.67 1pgw s VAL 183 N 0.94 4.91 0.00 3.43 1.01 -1.26 -4.93 120.40 124.49 1pgw s VAL 183 Ca 0.61 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 1pgw s VAL 183 Cb -0.34 -3.34 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 1pgw s VAL 183 CO 0.31 0.27 2.01 -2.84 0.00 0.00 0.00 175.10 174.85 1pgw s PRO 184 N 1.70 4.00 0.00 2.72 0.02 -1.26 -5.24 135.00 136.94 1pgw s PRO 184 Ca 0.07 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1pgw s PRO 184 Cb -0.16 -4.20 0.00 0.00 0.02 0.00 0.00 34.50 30.16 1pgw s PRO 184 CO 0.08 -1.12 0.00 1.04 -0.33 0.00 0.00 177.00 176.67