#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pgl s ILE 2 N 0.00 2.70 -0.08 2.46 1.09 -1.26 -5.00 121.20 121.10 1pgl s ILE 2 Ca 0.00 0.59 -0.30 0.00 -1.10 0.00 0.00 60.65 59.84 1pgl s ILE 2 Cb 0.00 -3.38 0.11 0.00 -1.06 0.00 0.00 42.46 38.13 1pgl s ILE 2 CO 0.00 0.09 0.90 -0.94 -0.10 0.00 0.00 174.94 174.89 1pgl s SER 3 N 0.34 -0.42 -0.25 3.58 1.04 -1.26 -5.00 113.70 111.74 1pgl s SER 3 Ca 0.59 0.32 -0.22 0.00 0.48 0.00 0.00 55.95 57.12 1pgl s SER 3 Cb -0.41 0.38 0.07 0.00 0.10 0.00 0.00 66.02 66.15 1pgl s SER 3 CO 0.43 -0.50 0.65 -1.58 0.98 0.00 0.00 173.24 173.23 1pgl s GLN 4 N -1.84 0.75 0.39 4.02 0.74 -1.26 -5.16 119.66 117.30 1pgl s GLN 4 Ca -0.01 0.94 -0.25 0.00 0.05 0.00 0.00 55.36 56.08 1pgl s GLN 4 Cb -0.01 0.34 -0.09 0.00 1.10 0.00 0.00 33.01 34.36 1pgl s GLN 4 CO -0.01 -0.10 1.12 -0.65 -0.55 0.00 0.00 175.29 175.11 1pgl s GLN 5 N 0.50 4.15 -1.43 1.67 -0.21 -1.26 -3.88 119.66 119.20 1pgl s GLN 5 Ca -0.01 1.73 -0.08 0.00 0.02 0.00 0.00 55.36 57.02 1pgl s GLN 5 Cb -0.05 -2.68 0.04 0.00 1.00 0.00 0.00 33.01 31.32 1pgl s GLN 5 CO -0.01 -0.21 0.62 2.41 -2.12 0.00 0.00 175.29 175.98 1pgl n THR 6 N 0.14 -1.62 -4.00 -0.19 -1.04 -1.26 -4.97 114.28 101.33 1pgl n THR 6 Ca 0.04 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.74 1pgl n THR 6 Cb 0.47 -2.74 -0.15 0.00 -1.82 0.00 0.00 70.33 66.09 1pgl n THR 6 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1pgl s VAL 7 N -3.09 2.11 0.44 12.58 0.11 -1.25 -5.08 120.40 126.22 1pgl s VAL 7 Ca 0.39 -2.15 0.05 0.00 -2.93 0.00 0.00 61.98 57.35 1pgl s VAL 7 Cb -0.19 -2.52 0.08 0.00 -1.53 0.00 0.00 36.38 32.22 1pgl s VAL 7 CO 0.48 -0.53 0.61 0.79 -3.33 0.00 0.00 175.10 173.13 1pgl n TRP 8 N 4.34 -2.64 -4.25 1.54 7.02 -1.26 -4.86 117.44 117.33 1pgl n TRP 8 Ca 0.01 -1.45 -0.17 0.00 -1.02 0.00 0.00 57.50 54.87 1pgl n TRP 8 Cb 0.42 -0.43 -0.14 0.00 -2.42 0.00 0.00 31.31 28.74 1pgl n TRP 8 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1pgl s ASN 9 N -3.66 0.82 0.25 -0.99 0.02 -0.37 -4.96 114.94 106.05 1pgl s ASN 9 Ca 0.45 -0.15 -0.30 0.00 -1.02 0.00 0.00 52.86 51.84 1pgl s ASN 9 Cb -0.03 -0.09 -0.09 0.00 0.02 0.00 0.00 41.25 41.06 1pgl s ASN 9 CO 0.29 0.07 1.12 -1.10 0.02 0.00 0.00 177.10 177.50 1pgl s GLN 10 N -0.23 4.60 -0.05 -0.60 -0.21 -1.26 -1.06 119.66 120.84 1pgl s GLN 10 Ca 0.02 1.82 -0.00 0.00 0.02 0.00 0.00 55.36 57.22 1pgl s GLN 10 Cb -0.03 -3.21 -0.03 0.00 1.00 0.00 0.00 33.01 30.74 1pgl s GLN 10 CO -0.00 0.12 -0.05 -0.12 -2.12 0.00 0.00 175.29 173.12 1pgl n MET 11 N 1.61 0.11 -3.55 2.91 1.56 0.16 -4.38 117.12 115.56 1pgl n MET 11 Ca 0.01 0.03 -0.11 0.00 -0.27 0.00 0.00 57.70 57.36 1pgl n MET 11 Cb 0.45 -1.02 -0.03 0.00 2.15 0.00 0.00 33.22 34.77 1pgl n MET 11 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1pgl s ALA 12 N -2.09 -1.36 -0.12 -5.12 0.00 -1.01 -2.00 121.76 110.05 1pgl s ALA 12 Ca -0.06 0.22 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 1pgl s ALA 12 Cb 0.02 0.85 0.06 0.00 0.00 0.00 0.00 23.12 24.05 1pgl s ALA 12 CO 0.10 -0.78 0.15 0.99 0.00 0.00 0.00 175.76 176.22 1pgl s THR 13 N -3.79 -0.22 -0.19 0.00 2.01 0.10 -1.25 115.64 112.29 1pgl s THR 13 Ca 0.04 0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.15 1pgl s THR 13 Cb -0.01 -0.42 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 1pgl s THR 13 CO -0.09 -0.02 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.05 1pgl s VAL 14 N 2.25 3.24 -0.18 3.82 1.01 0.09 -1.19 120.40 129.44 1pgl s VAL 14 Ca 0.04 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 1pgl s VAL 14 Cb -0.14 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1pgl s VAL 14 CO -0.08 0.46 -0.02 -0.60 0.00 0.00 0.00 175.10 174.86 1pgl s ARG 15 N 1.15 3.63 0.49 2.72 3.00 0.39 -1.28 118.95 129.06 1pgl s ARG 15 Ca 0.02 -0.53 -0.23 0.00 -1.00 0.00 0.00 55.73 53.99 1pgl s ARG 15 Cb -0.14 -3.00 -0.07 0.00 0.00 0.00 0.00 34.95 31.74 1pgl s ARG 15 CO -0.02 0.11 1.31 2.41 0.00 0.00 0.00 175.30 179.11 1pgl n THR 16 N 3.93 3.21 -1.73 4.11 -1.04 -0.29 -2.04 114.28 120.44 1pgl n THR 16 Ca -0.17 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 60.92 1pgl n THR 16 Cb 0.52 -1.62 -0.03 0.00 -1.82 0.00 0.00 70.33 67.38 1pgl n THR 16 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1pgl s PRO 17 N -2.57 4.14 0.44 -2.82 0.04 -1.26 -4.72 135.00 128.25 1pgl s PRO 17 Ca 0.67 2.59 0.13 0.00 0.04 0.00 0.00 61.00 64.42 1pgl s PRO 17 Cb -0.45 -3.50 0.98 0.00 0.04 0.00 0.00 34.50 31.57 1pgl s PRO 17 CO 0.53 -0.82 2.00 -0.07 0.04 0.00 0.00 177.00 178.68 1pgl h LEU 18 N 8.29 0.07 -3.70 -3.56 3.38 -1.91 -2.67 115.31 115.21 1pgl h LEU 18 Ca -0.45 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.24 1pgl h LEU 18 Cb 1.21 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.79 1pgl h LEU 18 CO 0.95 0.21 0.34 -0.46 0.09 0.00 0.00 178.44 179.57 1pgl n ASN 19 N -4.35 4.56 -4.75 -0.43 0.23 -1.26 -4.97 115.26 104.29 1pgl n ASN 19 Ca -0.02 -3.24 -0.42 0.00 -0.53 0.00 0.00 54.58 50.38 1pgl n ASN 19 Cb 0.22 -0.76 -0.02 0.00 -2.08 0.00 0.00 39.78 37.15 1pgl n ASN 19 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1pgl s PHE 20 N -2.93 2.74 -0.42 -2.53 5.36 -1.01 -4.85 117.98 114.35 1pgl s PHE 20 Ca 0.53 0.74 -0.07 0.00 -0.96 0.00 0.00 56.93 57.17 1pgl s PHE 20 Cb 0.43 -4.09 0.09 0.00 -0.34 0.00 0.00 43.02 39.11 1pgl s PHE 20 CO 0.13 -3.70 0.24 0.34 -1.46 0.00 0.00 175.22 170.77 1pgl s ASP 21 N 0.55 5.49 0.27 6.13 2.15 -1.26 -4.95 116.67 125.04 1pgl s ASP 21 Ca 0.64 -1.70 -0.00 0.00 0.43 0.00 0.00 52.55 51.92 1pgl s ASP 21 Cb -0.48 -1.93 0.62 0.00 -0.30 0.00 0.00 42.92 40.83 1pgl s ASP 21 CO 0.47 -0.55 1.67 0.28 -0.17 0.00 0.00 175.17 176.87 1pgl h SER 22 N 8.29 0.05 -0.93 -0.34 0.02 -1.92 -0.77 113.55 117.94 1pgl h SER 22 Ca -0.20 0.17 0.13 0.00 -0.84 0.00 0.00 61.79 61.05 1pgl h SER 22 Cb 1.07 0.22 -0.09 0.00 0.14 0.00 0.00 62.40 63.75 1pgl h SER 22 CO 0.74 -0.09 0.56 0.77 -1.14 0.00 0.00 176.83 177.67 1pgl h SER 23 N 0.26 0.79 0.69 3.07 4.64 -2.00 -2.86 113.55 118.14 1pgl h SER 23 Ca 0.50 0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.85 1pgl h SER 23 Cb 0.95 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1pgl h SER 23 CO -0.59 0.40 -0.33 0.11 -0.87 0.00 0.00 176.83 175.55 1pgl h LYS 24 N 0.86 -0.89 -3.43 4.77 1.57 -1.56 -3.47 116.57 114.42 1pgl h LYS 24 Ca 0.48 0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 59.25 1pgl h LYS 24 Cb 0.53 0.20 -0.14 0.00 0.08 0.00 0.00 32.23 32.90 1pgl h LYS 24 CO -0.29 -0.56 -0.17 1.14 -0.57 0.00 0.00 179.45 178.99 1pgl s GLN 25 N -5.28 0.96 0.25 3.15 -2.07 -1.08 -5.09 119.66 110.51 1pgl s GLN 25 Ca -0.16 -0.69 0.23 0.00 -1.82 0.00 0.00 55.36 52.91 1pgl s GLN 25 Cb 0.02 0.41 0.14 0.00 -1.09 0.00 0.00 33.01 32.50 1pgl s GLN 25 CO 0.53 -0.35 1.23 0.66 -1.32 0.00 0.00 175.29 176.04 1pgl h SER 26 N 2.66 0.00 -1.83 12.60 4.64 -1.88 -3.37 113.55 126.37 1pgl h SER 26 Ca -0.33 -0.03 -0.60 0.00 -0.47 0.00 0.00 61.79 60.36 1pgl h SER 26 Cb 1.23 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.19 1pgl h SER 26 CO 0.49 0.01 -0.55 0.72 -0.87 0.00 0.00 176.83 176.62 1pgl s PHE 27 N -3.30 2.04 0.13 4.77 -0.12 -1.26 -1.39 117.98 118.85 1pgl s PHE 27 Ca 0.02 -0.95 -0.10 0.00 -0.05 0.00 0.00 56.93 55.85 1pgl s PHE 27 Cb 0.09 -1.50 0.00 0.00 -0.63 0.00 0.00 43.02 40.98 1pgl s PHE 27 CO 0.75 0.13 0.26 0.00 -0.05 0.00 0.00 175.22 176.32 1pgl s GLN 29 N -3.90 0.42 0.09 0.00 -0.21 -1.26 -0.72 119.66 114.08 1pgl s GLN 29 Ca 0.10 -0.49 -0.08 0.00 0.02 0.00 0.00 55.36 54.92 1pgl s GLN 29 Cb 0.04 -0.26 -0.01 0.00 1.00 0.00 0.00 33.01 33.78 1pgl s GLN 29 CO -0.06 0.05 0.16 -0.59 -2.12 0.00 0.00 175.29 172.73 1pgl s PHE 30 N -0.85 0.21 -0.03 0.91 -0.12 -1.05 -2.39 117.98 114.66 1pgl s PHE 30 Ca -0.06 -0.65 -0.02 0.00 -0.05 0.00 0.00 56.93 56.15 1pgl s PHE 30 Cb -0.06 -0.10 0.01 0.00 -0.63 0.00 0.00 43.02 42.23 1pgl s PHE 30 CO -0.00 -0.53 0.07 0.45 -0.05 0.00 0.00 175.22 175.16 1pgl s SER 31 N -2.87 -0.06 -0.16 1.98 0.15 -0.15 -0.90 113.70 111.69 1pgl s SER 31 Ca 0.06 0.14 -0.03 0.00 0.70 0.00 0.00 55.95 56.81 1pgl s SER 31 Cb 0.05 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.46 1pgl s SER 31 CO -0.10 -0.04 -0.05 -0.69 1.20 0.00 0.00 173.24 173.56 1pgl s VAL 32 N 0.22 3.77 -0.75 4.45 1.01 0.52 -0.50 120.40 129.13 1pgl s VAL 32 Ca -0.02 -0.40 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 1pgl s VAL 32 Cb -0.02 -2.65 0.11 0.00 0.00 0.00 0.00 36.38 33.81 1pgl s VAL 32 CO -0.01 0.49 0.94 -0.62 0.00 0.00 0.00 175.10 175.91 1pgl s ASP 33 N 0.45 6.37 0.31 3.32 3.68 0.60 -0.74 116.67 130.67 1pgl s ASP 33 Ca -0.04 -1.57 0.06 0.00 2.13 0.00 0.00 52.55 53.12 1pgl s ASP 33 Cb -0.14 -2.37 0.71 0.00 -1.45 0.00 0.00 42.92 39.67 1pgl s ASP 33 CO 0.03 -1.18 1.81 -0.07 0.13 0.00 0.00 175.17 175.89 1pgl h LEU 34 N 10.47 0.79 0.00 -1.34 4.07 -1.53 -0.15 115.31 127.63 1pgl h LEU 34 Ca -0.11 0.07 -0.08 0.00 0.08 0.00 0.00 57.88 57.84 1pgl h LEU 34 Cb 1.06 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 1pgl h LEU 34 CO 1.11 0.34 -1.82 0.18 -1.08 0.00 0.00 178.44 177.17 1pgl n LEU 35 N -4.68 0.25 0.06 1.67 4.77 -1.25 -4.28 117.00 113.53 1pgl n LEU 35 Ca 0.21 0.10 0.11 0.00 -0.03 0.00 0.00 56.01 56.41 1pgl n LEU 35 Cb 0.51 0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 1pgl n LEU 35 CO 0.24 0.06 -0.25 0.61 -1.33 0.00 0.00 177.39 176.73 1pgl n GLY 36 N 1.34 -1.30 1.70 -0.72 0.00 -1.17 -4.47 105.19 100.58 1pgl n GLY 36 Ca -0.09 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1pgl n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pgl n GLY 37 N 1.21 0.48 3.72 -0.02 0.00 -0.08 -4.80 105.19 105.70 1pgl n GLY 37 Ca -0.01 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 1pgl n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pgl s GLY 38 N -2.82 1.63 -0.05 -0.02 0.00 -1.21 -4.93 107.32 99.91 1pgl s GLY 38 Ca 0.00 -1.61 0.05 0.00 0.00 0.00 0.00 44.72 43.16 1pgl s GLY 38 CO 0.00 -1.64 -0.19 -0.42 0.00 0.00 0.00 173.10 170.84 1pgl s ILE 39 N -2.28 1.63 -0.00 0.90 1.01 -1.26 -0.29 121.20 120.90 1pgl s ILE 39 Ca 0.33 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 60.22 1pgl s ILE 39 Cb -0.06 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 1pgl s ILE 39 CO 0.22 0.46 -0.17 -0.44 0.00 0.00 0.00 174.94 175.01 1pgl s SER 40 N 0.07 3.84 0.23 3.58 0.01 0.35 -4.97 113.70 116.81 1pgl s SER 40 Ca -0.06 -0.33 0.01 0.00 1.31 0.00 0.00 55.95 56.88 1pgl s SER 40 Cb -0.13 -0.69 -0.05 0.00 0.21 0.00 0.00 66.02 65.36 1pgl s SER 40 CO 0.03 0.30 0.09 0.68 0.41 0.00 0.00 173.24 174.75 1pgl s VAL 41 N -0.82 0.46 1.19 3.43 -7.23 -1.26 -0.97 120.40 115.19 1pgl s VAL 41 Ca 0.13 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.14 1pgl s VAL 41 Cb -0.10 -2.51 0.28 0.00 0.56 0.00 0.00 36.38 34.60 1pgl s VAL 41 CO 0.03 -0.09 1.06 -1.81 -0.31 0.00 0.00 175.10 173.98 1pgl s ASP 42 N -3.25 0.98 -0.18 4.85 -0.00 -1.00 -4.96 116.67 113.10 1pgl s ASP 42 Ca 0.35 0.94 0.16 0.00 -0.00 0.00 0.00 52.55 54.01 1pgl s ASP 42 Cb 0.07 -1.41 0.49 0.00 -0.00 0.00 0.00 42.92 42.08 1pgl s ASP 42 CO 0.11 -4.12 1.39 0.29 -0.00 0.00 0.00 175.17 172.84 1pgl n LYS 43 N -4.80 2.57 0.00 8.23 4.76 -1.26 -4.55 118.16 123.11 1pgl n LYS 43 Ca 0.09 -2.84 0.12 0.00 -2.87 0.00 0.00 58.31 52.81 1pgl n LYS 43 Cb 0.58 -1.80 0.56 0.00 -1.84 0.00 0.00 35.03 32.53 1pgl n LYS 43 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1pgl n THR 44 N -0.71 0.28 -3.81 -0.18 5.66 -1.26 -4.97 114.28 109.30 1pgl n THR 44 Ca 0.22 0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.29 1pgl n THR 44 Cb 0.87 -0.65 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 1pgl n THR 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pgl n GLY 45 N 0.96 -1.14 3.39 1.09 0.00 -1.26 -4.36 105.19 103.86 1pgl n GLY 45 Ca 0.08 -1.12 -0.44 0.00 0.00 0.00 0.00 46.02 44.54 1pgl n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pgl s ASP 46 N -4.00 6.19 0.51 1.61 -0.00 -1.26 -4.95 116.67 114.77 1pgl s ASP 46 Ca 0.00 -1.28 -0.19 0.00 -0.00 0.00 0.00 52.55 51.08 1pgl s ASP 46 Cb 0.00 -2.28 -0.08 0.00 -0.00 0.00 0.00 42.92 40.56 1pgl s ASP 46 CO 0.00 -0.99 1.03 0.26 -0.00 0.00 0.00 175.17 175.47 1pgl s TRP 47 N 2.52 3.07 -0.49 4.23 0.52 -1.26 -3.93 118.94 123.60 1pgl s TRP 47 Ca 0.11 1.56 0.04 0.00 0.02 0.00 0.00 56.10 57.83 1pgl s TRP 47 Cb -0.23 -3.01 0.12 0.00 -1.15 0.00 0.00 33.47 29.21 1pgl s TRP 47 CO 0.08 -0.78 0.22 0.42 0.02 0.00 0.00 176.95 176.91 1pgl s ILE 48 N -2.16 2.52 0.22 2.03 1.01 -0.86 -4.97 121.20 118.98 1pgl s ILE 48 Ca 0.65 -3.15 0.07 0.00 0.00 0.00 0.00 60.65 58.22 1pgl s ILE 48 Cb -0.15 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1pgl s ILE 48 CO 0.24 -0.77 0.11 0.42 0.00 0.00 0.00 174.94 174.94 1pgl s THR 49 N -0.09 4.13 -0.27 2.92 -4.23 -1.26 -0.46 115.64 116.38 1pgl s THR 49 Ca 0.16 -1.43 -0.15 0.00 -1.18 0.00 0.00 61.69 59.09 1pgl s THR 49 Cb -0.25 -3.17 0.08 0.00 1.34 0.00 0.00 72.50 70.50 1pgl s THR 49 CO -0.01 -0.25 0.66 -0.22 -0.54 0.00 0.00 174.62 174.26 1pgl s LEU 50 N -3.46 -0.87 -0.32 4.79 2.96 -0.34 -4.99 118.68 116.44 1pgl s LEU 50 Ca 0.31 1.46 -0.08 0.00 -0.22 0.00 0.00 54.13 55.60 1pgl s LEU 50 Cb -0.08 2.29 0.02 0.00 0.50 0.00 0.00 46.19 48.91 1pgl s LEU 50 CO 0.22 -0.24 0.12 -0.69 -1.32 0.00 0.00 176.35 174.45 1pgl s VAL 51 N 1.63 4.16 0.36 1.68 1.01 -1.26 -0.72 120.40 127.27 1pgl s VAL 51 Ca -0.10 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 1pgl s VAL 51 Cb -0.05 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 1pgl s VAL 51 CO -0.19 -0.04 1.20 -1.10 0.00 0.00 0.00 175.10 174.97 1pgl s GLN 52 N 1.51 4.22 -0.35 2.72 1.11 -0.85 -4.92 119.66 123.10 1pgl s GLN 52 Ca 0.02 1.94 -0.05 0.00 0.01 0.00 0.00 55.36 57.28 1pgl s GLN 52 Cb -0.18 -2.86 -0.06 0.00 -1.01 0.00 0.00 33.01 28.90 1pgl s GLN 52 CO 0.04 -0.21 3.08 0.09 0.01 0.00 0.00 175.29 178.30 1pgl n ASN 53 N 0.44 6.13 -4.81 5.90 3.02 -1.26 -4.70 115.26 119.98 1pgl n ASN 53 Ca 0.02 -2.92 -0.29 0.00 -0.03 0.00 0.00 54.58 51.36 1pgl n ASN 53 Cb 0.45 -1.31 0.11 0.00 -0.61 0.00 0.00 39.78 38.41 1pgl n ASN 53 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1pgl s SER 54 N 1.00 4.04 0.19 6.41 1.04 -1.26 -4.79 113.70 120.34 1pgl s SER 54 Ca 0.62 1.06 -0.11 0.00 0.48 0.00 0.00 55.95 58.00 1pgl s SER 54 Cb 0.35 -1.69 0.22 0.00 0.10 0.00 0.00 66.02 65.00 1pgl s SER 54 CO -0.13 -2.23 1.73 -0.65 0.98 0.00 0.00 173.24 172.94 1pgl h PRO 55 N -1.27 0.32 -0.22 4.02 0.11 -1.92 -1.37 132.00 131.67 1pgl h PRO 55 Ca -0.49 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 1pgl h PRO 55 Cb 1.31 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1pgl h PRO 55 CO 0.62 0.21 -0.41 0.97 -0.21 0.00 0.00 178.00 179.18 1pgl h ILE 56 N 0.33 1.30 -0.45 4.15 6.09 -1.93 -1.34 117.51 125.66 1pgl h ILE 56 Ca 0.27 -1.57 -0.09 0.00 -1.37 0.00 0.00 64.86 62.10 1pgl h ILE 56 Cb 0.34 1.57 -0.02 0.00 0.47 0.00 0.00 36.82 39.18 1pgl h ILE 56 CO -0.30 0.49 -0.10 -1.28 -3.07 0.00 0.00 178.15 173.89 1pgl h SER 57 N 0.43 0.79 0.10 2.19 0.87 -1.73 -1.74 113.55 114.45 1pgl h SER 57 Ca 0.04 -0.23 -0.23 0.00 -1.23 0.00 0.00 61.79 60.14 1pgl h SER 57 Cb 0.89 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1pgl h SER 57 CO 0.08 0.91 -0.89 0.78 -0.53 0.00 0.00 176.83 177.18 1pgl h ASN 58 N 0.72 0.74 0.12 6.23 -0.26 -1.09 -3.15 115.58 118.89 1pgl h ASN 58 Ca 0.12 -0.54 -0.01 0.00 -0.56 0.00 0.00 56.30 55.32 1pgl h ASN 58 Cb 0.58 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1pgl h ASN 58 CO 0.04 1.33 -0.06 0.25 -1.06 0.00 0.00 177.43 177.93 1pgl h LEU 59 N 0.37 -0.14 -1.09 1.61 5.85 -1.05 -3.00 115.31 117.86 1pgl h LEU 59 Ca -0.08 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1pgl h LEU 59 Cb 1.52 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.54 1pgl h LEU 59 CO 0.17 0.04 0.56 -0.07 -0.34 0.00 0.00 178.44 178.80 1pgl h LEU 60 N -0.31 1.03 -1.46 2.25 3.38 -1.42 -0.24 115.31 118.53 1pgl h LEU 60 Ca -0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1pgl h LEU 60 Cb 0.25 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1pgl h LEU 60 CO 0.03 0.77 -0.14 0.03 0.09 0.00 0.00 178.44 179.21 1pgl h ARG 61 N 1.20 0.00 -0.00 1.13 3.08 -1.54 -3.21 114.38 115.04 1pgl h ARG 61 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1pgl h ARG 61 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1pgl h ARG 61 CO -0.06 0.14 -0.52 1.55 -1.07 0.00 0.00 179.97 180.01 1pgl n VAL 62 N -3.38 0.00 -2.85 2.04 3.14 -0.90 -4.84 118.33 111.54 1pgl n VAL 62 Ca -0.00 -0.24 -0.43 0.00 -2.96 0.00 0.00 64.34 60.71 1pgl n VAL 62 Cb 0.34 1.02 -0.04 0.00 -1.06 0.00 0.00 33.84 34.10 1pgl n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pgl s ALA 63 N -2.05 3.25 0.09 1.55 0.00 -0.15 -0.92 121.76 123.54 1pgl s ALA 63 Ca 0.05 -0.83 -0.25 0.00 0.00 0.00 0.00 51.96 50.93 1pgl s ALA 63 Cb 0.09 -3.60 -0.13 0.00 0.00 0.00 0.00 23.12 19.48 1pgl s ALA 63 CO 0.46 -2.01 1.70 0.00 0.00 0.00 0.00 175.76 175.91 1pgl h ALA 64 N 9.04 -0.24 -3.25 0.00 0.00 -1.55 -3.42 119.26 119.83 1pgl h ALA 64 Ca -0.24 -0.04 -0.66 0.00 0.00 0.00 0.00 54.91 53.97 1pgl h ALA 64 Cb 1.08 0.16 -0.28 0.00 0.00 0.00 0.00 17.79 18.74 1pgl h ALA 64 CO 1.01 -0.65 -0.78 -1.58 0.00 0.00 0.00 179.25 177.25 1pgl s TRP 65 N -6.15 2.80 0.23 0.00 0.52 -0.25 -4.22 118.94 111.88 1pgl s TRP 65 Ca -0.14 -0.83 0.11 0.00 0.02 0.00 0.00 56.10 55.26 1pgl s TRP 65 Cb 0.06 -1.87 -0.05 0.00 -1.15 0.00 0.00 33.47 30.46 1pgl s TRP 65 CO 0.65 -0.34 -0.21 0.15 0.02 0.00 0.00 176.95 177.23 1pgl s LYS 66 N 0.60 1.55 -0.28 4.98 1.02 -0.68 -1.22 119.74 125.71 1pgl s LYS 66 Ca -0.08 -1.64 -0.21 0.00 0.02 0.00 0.00 55.97 54.06 1pgl s LYS 66 Cb -0.16 -1.69 0.13 0.00 -0.52 0.00 0.00 37.83 35.59 1pgl s LYS 66 CO 0.03 0.33 0.97 0.21 -0.92 0.00 0.00 175.35 175.97 1pgl s LYS 67 N -3.18 0.48 0.00 1.68 2.20 -0.27 -0.79 119.74 119.86 1pgl s LYS 67 Ca 0.25 0.69 0.00 0.00 -0.36 0.00 0.00 55.97 56.55 1pgl s LYS 67 Cb -0.06 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.44 1pgl s LYS 67 CO 0.12 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.44 1pgl n GLY 68 N 3.01 0.30 3.91 5.54 0.00 -0.87 -0.31 105.19 116.77 1pgl n GLY 68 Ca -0.16 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.27 1pgl n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgl s LEU 70 N -3.19 2.32 -0.09 0.00 1.43 -0.68 -3.13 118.68 115.35 1pgl s LEU 70 Ca 0.41 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1pgl s LEU 70 Cb -0.11 -0.05 -0.03 0.00 0.03 0.00 0.00 46.19 46.03 1pgl s LEU 70 CO 0.28 -0.31 -0.09 -0.32 0.23 0.00 0.00 176.35 176.14 1pgl s MET 71 N -2.19 2.92 -0.06 1.70 1.75 0.81 -1.21 119.30 123.02 1pgl s MET 71 Ca -0.06 -0.60 0.06 0.00 -1.25 0.00 0.00 55.69 53.85 1pgl s MET 71 Cb -0.05 -2.60 -0.01 0.00 2.84 0.00 0.00 34.83 35.01 1pgl s MET 71 CO -0.02 0.53 -0.24 0.08 -0.65 0.00 0.00 175.02 174.72 1pgl s VAL 72 N -0.45 2.16 -0.07 10.11 1.01 0.88 -0.87 120.40 133.17 1pgl s VAL 72 Ca 0.06 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1pgl s VAL 72 Cb -0.12 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1pgl s VAL 72 CO 0.02 0.57 -0.06 -0.75 0.00 0.00 0.00 175.10 174.88 1pgl s LYS 73 N -0.22 1.12 -0.12 2.72 2.20 -0.58 -0.99 119.74 123.87 1pgl s LYS 73 Ca -0.02 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 1pgl s LYS 73 Cb -0.13 -1.16 -0.02 0.00 -1.51 0.00 0.00 37.83 35.01 1pgl s LYS 73 CO 0.03 -0.15 -0.13 0.08 -0.36 0.00 0.00 175.35 174.82 1pgl s VAL 74 N 1.28 3.03 -0.17 4.02 1.01 0.79 -0.81 120.40 129.55 1pgl s VAL 74 Ca -0.04 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1pgl s VAL 74 Cb -0.14 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.00 1pgl s VAL 74 CO -0.02 0.53 -0.15 -0.69 0.00 0.00 0.00 175.10 174.77 1pgl s VAL 75 N 0.28 1.74 -0.28 2.92 1.01 -0.24 -0.46 120.40 125.37 1pgl s VAL 75 Ca -0.10 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 1pgl s VAL 75 Cb -0.16 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1pgl s VAL 75 CO 0.05 0.42 0.23 -0.32 0.00 0.00 0.00 175.10 175.48 1pgl s MET 76 N 1.40 3.97 -0.26 2.72 1.75 -0.22 -1.41 119.30 127.25 1pgl s MET 76 Ca 0.03 -0.24 -0.04 0.00 -1.25 0.00 0.00 55.69 54.20 1pgl s MET 76 Cb -0.14 -3.65 0.01 0.00 2.84 0.00 0.00 34.83 33.89 1pgl s MET 76 CO -0.11 -0.19 -0.00 -1.12 -0.65 0.00 0.00 175.02 172.95 1pgl s SER 77 N 1.70 4.64 0.03 1.11 0.01 -0.40 -2.49 113.70 118.31 1pgl s SER 77 Ca 0.09 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1pgl s SER 77 Cb -0.16 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.31 1pgl s SER 77 CO 0.11 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1pgl n GLY 78 N 4.77 1.60 3.53 3.44 0.00 0.22 -1.69 105.19 117.07 1pgl n GLY 78 Ca -0.16 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 1pgl n GLY 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pgl s ASN 79 N -1.00 6.24 0.41 1.61 3.84 0.26 -4.83 114.94 121.47 1pgl s ASN 79 Ca 0.00 -0.44 0.29 0.00 0.21 0.00 0.00 52.86 52.92 1pgl s ASN 79 Cb 0.00 -2.51 1.35 0.00 -0.55 0.00 0.00 41.25 39.54 1pgl s ASN 79 CO 0.00 -1.60 1.87 0.00 -2.79 0.00 0.00 177.10 174.58 1pgl h ALA 80 N 9.74 1.00 0.00 1.71 0.00 -1.90 -2.90 119.26 126.91 1pgl h ALA 80 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1pgl h ALA 80 Cb 1.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1pgl h ALA 80 CO 1.21 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 180.44 1pgl h ALA 81 N 2.10 0.99 -2.56 0.00 0.00 -1.99 -3.44 119.26 114.36 1pgl h ALA 81 Ca 0.00 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.36 1pgl h ALA 81 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1pgl h ALA 81 CO 0.00 0.03 0.51 0.08 0.00 0.00 0.00 179.25 179.87 1pgl s VAL 82 N -3.45 4.00 0.44 0.00 1.01 -1.10 -5.00 120.40 116.31 1pgl s VAL 82 Ca 0.04 1.57 -0.23 0.00 0.00 0.00 0.00 61.98 63.35 1pgl s VAL 82 Cb 0.07 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 1pgl s VAL 82 CO 0.61 0.19 1.14 -0.54 0.00 0.00 0.00 175.10 176.50 1pgl s LYS 83 N 0.36 3.86 0.35 2.72 1.02 -1.26 -4.89 119.74 121.89 1pgl s LYS 83 Ca 0.54 1.71 0.10 0.00 0.02 0.00 0.00 55.97 58.34 1pgl s LYS 83 Cb -0.29 -2.44 0.84 0.00 -0.52 0.00 0.00 37.83 35.42 1pgl s LYS 83 CO 0.32 -0.45 1.83 -0.09 -0.92 0.00 0.00 175.35 176.04 1pgl h ARG 84 N 2.17 0.65 0.00 1.68 2.43 -1.94 0.37 114.38 119.74 1pgl h ARG 84 Ca -0.49 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1pgl h ARG 84 Cb 1.24 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1pgl h ARG 84 CO 0.61 0.43 0.00 0.66 -1.51 0.00 0.00 179.97 180.16 1pgl h SER 85 N 0.67 0.00 -0.41 -3.80 4.64 -2.03 -2.29 113.55 110.32 1pgl h SER 85 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1pgl h SER 85 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1pgl h SER 85 CO -0.27 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.16 1pgl n ASP 86 N -2.67 3.48 -4.68 4.97 10.43 0.11 -4.95 116.55 123.23 1pgl n ASP 86 Ca 0.00 -1.99 -0.42 0.00 2.57 0.00 0.00 54.79 54.95 1pgl n ASP 86 Cb 0.21 -0.27 -0.03 0.00 1.84 0.00 0.00 41.12 42.88 1pgl n ASP 86 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 1pgl s TRP 87 N -1.47 1.92 -0.42 1.24 -0.11 -0.87 -4.89 118.94 114.35 1pgl s TRP 87 Ca 0.40 -0.10 0.08 0.00 1.22 0.00 0.00 56.10 57.70 1pgl s TRP 87 Cb 0.23 -4.16 0.27 0.00 -1.50 0.00 0.00 33.47 28.31 1pgl s TRP 87 CO 0.32 -4.90 0.70 0.00 -4.62 0.00 0.00 176.95 168.45 1pgl n ALA 88 N 6.27 1.06 -3.25 5.86 0.00 -1.26 -5.11 120.51 124.09 1pgl n ALA 88 Ca 0.18 -2.70 -0.14 0.00 0.00 0.00 0.00 53.44 50.78 1pgl n ALA 88 Cb 0.39 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 1pgl n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pgl s SER 89 N -1.52 -0.29 0.05 0.00 0.15 -1.26 -4.80 113.70 106.03 1pgl s SER 89 Ca 0.34 0.15 -0.21 0.00 0.70 0.00 0.00 55.95 56.92 1pgl s SER 89 Cb 0.22 0.39 0.05 0.00 -1.71 0.00 0.00 66.02 64.97 1pgl s SER 89 CO -0.14 -0.55 0.50 -1.48 1.20 0.00 0.00 173.24 172.77 1pgl s LEU 90 N -1.56 0.02 -0.04 3.45 0.05 -1.14 -4.72 118.68 114.74 1pgl s LEU 90 Ca -0.10 0.12 0.02 0.00 0.05 0.00 0.00 54.13 54.22 1pgl s LEU 90 Cb -0.03 2.05 0.01 0.00 -2.05 0.00 0.00 46.19 46.18 1pgl s LEU 90 CO 0.03 -0.72 -0.08 0.54 -0.55 0.00 0.00 176.35 175.57 1pgl s VAL 91 N -2.53 0.76 -0.20 1.48 0.11 -0.23 -1.27 120.40 118.53 1pgl s VAL 91 Ca -0.05 -0.30 -0.12 0.00 -2.93 0.00 0.00 61.98 58.58 1pgl s VAL 91 Cb -0.01 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 34.09 1pgl s VAL 91 CO -0.02 0.26 0.24 -1.10 -3.33 0.00 0.00 175.10 171.14 1pgl s GLN 92 N 0.52 4.18 -0.07 1.54 -0.21 -0.74 -1.18 119.66 123.70 1pgl s GLN 92 Ca -0.08 -0.05 0.01 0.00 0.02 0.00 0.00 55.36 55.25 1pgl s GLN 92 Cb -0.12 -3.48 -0.03 0.00 1.00 0.00 0.00 33.01 30.38 1pgl s GLN 92 CO 0.01 0.15 -0.06 0.08 -2.12 0.00 0.00 175.29 173.36 1pgl s VAL 93 N 0.77 3.81 0.00 1.09 1.01 0.20 -1.24 120.40 126.03 1pgl s VAL 93 Ca 0.13 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1pgl s VAL 93 Cb -0.13 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1pgl s VAL 93 CO 0.03 0.58 -0.08 -0.36 0.00 0.00 0.00 175.10 175.28 1pgl s PHE 94 N -0.84 0.73 -0.21 5.22 0.08 0.18 -1.20 117.98 121.94 1pgl s PHE 94 Ca 0.13 -0.18 -0.03 0.00 0.12 0.00 0.00 56.93 56.97 1pgl s PHE 94 Cb -0.11 -0.46 -0.00 0.00 -0.57 0.00 0.00 43.02 41.88 1pgl s PHE 94 CO 0.02 -0.01 -0.07 -1.17 -0.10 0.00 0.00 175.22 173.88 1pgl s LEU 95 N -0.39 2.74 0.06 -0.37 2.96 -0.69 -1.06 118.68 121.92 1pgl s LEU 95 Ca 0.02 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1pgl s LEU 95 Cb -0.04 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 1pgl s LEU 95 CO -0.00 -0.02 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.06 1pgl s THR 96 N 1.44 0.46 -2.35 3.68 2.01 -0.71 -0.02 115.64 120.15 1pgl s THR 96 Ca 0.06 -1.39 0.23 0.00 0.31 0.00 0.00 61.69 60.89 1pgl s THR 96 Cb -0.14 -0.98 0.47 0.00 0.01 0.00 0.00 72.50 71.87 1pgl s THR 96 CO -0.05 -0.63 1.58 -0.46 -0.69 0.00 0.00 174.62 174.38 1pgl n ASN 97 N 0.87 1.73 -3.47 3.53 2.04 -1.26 -0.10 115.26 118.60 1pgl n ASN 97 Ca -0.19 -1.67 -0.14 0.00 -0.44 0.00 0.00 54.58 52.13 1pgl n ASN 97 Cb 0.57 -0.08 -0.04 0.00 -2.53 0.00 0.00 39.78 37.70 1pgl n ASN 97 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1pgl s SER 98 N -1.68 -0.59 0.11 0.53 0.15 -1.26 -2.13 113.70 108.83 1pgl s SER 98 Ca 0.34 0.29 0.26 0.00 0.70 0.00 0.00 55.95 57.54 1pgl s SER 98 Cb 0.19 0.57 0.81 0.00 -1.71 0.00 0.00 66.02 65.87 1pgl s SER 98 CO 0.28 -0.81 1.69 0.59 1.20 0.00 0.00 173.24 176.19 1pgl n ASN 99 N 0.19 0.52 -4.75 5.45 5.03 -1.26 -4.86 115.26 115.58 1pgl n ASN 99 Ca -0.18 0.37 -0.40 0.00 0.87 0.00 0.00 54.58 55.24 1pgl n ASN 99 Cb 0.61 -0.40 0.01 0.00 -1.02 0.00 0.00 39.78 38.99 1pgl n ASN 99 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1pgl n SER 100 N -1.93 3.27 0.00 6.41 2.88 -1.26 -4.85 113.62 118.14 1pgl n SER 100 Ca 0.06 1.13 0.10 0.00 -1.33 0.00 0.00 58.87 58.83 1pgl n SER 100 Cb 0.40 -1.59 0.52 0.00 -0.75 0.00 0.00 64.21 62.79 1pgl n SER 100 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1pgl n THR 101 N -0.12 0.37 1.19 2.46 5.66 -1.26 -2.93 114.28 119.65 1pgl n THR 101 Ca 0.05 0.09 0.12 0.00 -3.05 0.00 0.00 64.05 61.27 1pgl n THR 101 Cb 0.41 -0.74 0.26 0.00 -1.55 0.00 0.00 70.33 68.71 1pgl n THR 101 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1pgl n GLU 102 N -1.32 1.15 -3.52 1.09 1.02 -1.26 -4.83 120.64 112.97 1pgl n GLU 102 Ca 0.09 -0.80 -0.37 0.00 -0.02 0.00 0.00 57.16 56.06 1pgl n GLU 102 Cb 0.18 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 1pgl n GLU 102 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1pgl s HIS 103 N -2.40 3.53 0.93 -0.32 3.76 -1.15 -5.08 115.29 114.56 1pgl s HIS 103 Ca 0.24 0.71 -0.13 0.00 -0.15 0.00 0.00 55.06 55.73 1pgl s HIS 103 Cb 0.19 -2.33 0.15 0.00 1.11 0.00 0.00 32.58 31.70 1pgl s HIS 103 CO 0.50 0.34 1.16 -0.06 -0.85 0.00 0.00 174.74 175.83 1pgl s PHE 104 N 0.09 2.30 0.06 1.40 0.40 -1.26 -4.99 117.98 115.97 1pgl s PHE 104 Ca 0.19 0.76 -0.19 0.00 -0.60 0.00 0.00 56.93 57.09 1pgl s PHE 104 Cb -0.14 -3.48 -0.06 0.00 0.51 0.00 0.00 43.02 39.85 1pgl s PHE 104 CO 0.07 -2.46 0.55 -0.51 0.70 0.00 0.00 175.22 173.56 1pgl s ASP 105 N -4.16 7.03 0.12 1.36 -0.00 -1.26 -4.68 116.67 115.07 1pgl s ASP 105 Ca 0.65 1.22 -0.01 0.00 -0.00 0.00 0.00 52.55 54.40 1pgl s ASP 105 Cb -0.13 -2.35 -0.15 0.00 -0.00 0.00 0.00 42.92 40.30 1pgl s ASP 105 CO 0.53 0.27 1.26 0.00 -0.00 0.00 0.00 175.17 177.24 1pgl h ALA 106 N 4.63 0.31 -2.94 5.23 0.00 -0.82 -3.47 119.26 122.20 1pgl h ALA 106 Ca -0.50 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 53.62 1pgl h ALA 106 Cb 1.21 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1pgl h ALA 106 CO 0.64 0.94 0.13 0.00 0.00 0.00 0.00 179.25 180.95 1pgl s ARG 108 N -3.86 0.49 0.07 0.00 3.52 -1.26 -1.70 118.95 116.21 1pgl s ARG 108 Ca 0.08 0.53 -0.02 0.00 -0.13 0.00 0.00 55.73 56.19 1pgl s ARG 108 Cb -0.02 0.24 -0.03 0.00 -1.56 0.00 0.00 34.95 33.57 1pgl s ARG 108 CO -0.03 -0.06 0.02 -1.58 -0.81 0.00 0.00 175.30 172.84 1pgl s TRP 109 N 0.14 0.54 -0.13 5.12 0.51 -0.34 -5.00 118.94 119.77 1pgl s TRP 109 Ca -0.01 -1.03 -0.04 0.00 -2.12 0.00 0.00 56.10 52.90 1pgl s TRP 109 Cb -0.03 -0.36 0.06 0.00 -0.81 0.00 0.00 33.47 32.34 1pgl s TRP 109 CO 0.01 -0.44 0.17 0.99 -0.51 0.00 0.00 176.95 177.18 1pgl s THR 110 N -3.94 -0.27 -0.09 2.01 2.01 -1.26 -0.63 115.64 113.47 1pgl s THR 110 Ca 0.10 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.27 1pgl s THR 110 Cb 0.07 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 72.11 1pgl s THR 110 CO -0.08 -0.01 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.19 1pgl s LYS 111 N 2.29 2.96 -0.00 4.92 -0.14 -0.32 -4.97 119.74 124.48 1pgl s LYS 111 Ca 0.04 -0.65 0.00 0.00 -1.36 0.00 0.00 55.97 54.00 1pgl s LYS 111 Cb -0.14 -2.55 0.01 0.00 -1.68 0.00 0.00 37.83 33.47 1pgl s LYS 111 CO -0.08 0.45 0.68 -1.13 -0.76 0.00 0.00 175.35 174.51 1pgl n SER 112 N 2.83 0.18 -4.73 2.83 3.41 -1.26 -1.07 113.62 115.81 1pgl n SER 112 Ca -0.18 -1.37 -0.42 0.00 -0.26 0.00 0.00 58.87 56.65 1pgl n SER 112 Cb 0.53 -0.06 -0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1pgl n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pgl n GLU 113 N -0.07 2.28 -2.10 4.33 4.71 -1.26 -4.86 120.64 123.67 1pgl n GLU 113 Ca 0.00 0.80 -0.41 0.00 -0.01 0.00 0.00 57.16 57.55 1pgl n GLU 113 Cb 0.54 -2.46 -0.02 0.00 -1.01 0.00 0.00 31.44 28.49 1pgl n GLU 113 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 1pgl s PRO 114 N -2.03 4.31 0.00 3.49 0.02 -1.26 -4.04 135.00 135.49 1pgl s PRO 114 Ca 0.56 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.80 1pgl s PRO 114 Cb -0.52 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 30.96 1pgl s PRO 114 CO 0.62 -0.23 0.00 0.72 -0.33 0.00 0.00 177.00 177.78 1pgl n HIS 115 N 0.72 0.00 -3.53 6.54 8.25 -1.26 -4.79 115.22 121.15 1pgl n HIS 115 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 1pgl n HIS 115 Cb 0.42 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 1pgl n HIS 115 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1pgl s SER 116 N 0.00 -0.38 0.14 0.41 1.04 -1.26 0.69 113.70 114.34 1pgl s SER 116 Ca 0.00 0.18 -0.25 0.00 0.48 0.00 0.00 55.95 56.36 1pgl s SER 116 Cb 0.00 0.36 0.07 0.00 0.10 0.00 0.00 66.02 66.55 1pgl s SER 116 CO 0.00 -0.52 0.80 -1.66 0.98 0.00 0.00 173.24 172.84 1pgl s TRP 117 N -2.32 -0.30 0.07 5.02 1.48 -1.04 -4.77 118.94 117.09 1pgl s TRP 117 Ca 0.02 0.03 0.01 0.00 -1.06 0.00 0.00 56.10 55.10 1pgl s TRP 117 Cb -0.01 0.61 -0.04 0.00 -1.16 0.00 0.00 33.47 32.87 1pgl s TRP 117 CO -0.04 -0.85 -0.06 -1.83 -4.06 0.00 0.00 176.95 170.11 1pgl s GLU 118 N -3.50 0.71 -0.04 3.25 -1.05 -1.26 -1.05 118.70 115.75 1pgl s GLU 118 Ca 0.07 -1.15 -0.02 0.00 -0.15 0.00 0.00 54.97 53.72 1pgl s GLU 118 Cb -0.02 -0.15 0.03 0.00 -0.44 0.00 0.00 34.13 33.55 1pgl s GLU 118 CO -0.03 -0.02 0.07 -1.17 0.95 0.00 0.00 175.26 175.06 1pgl s LEU 119 N -2.61 0.34 -0.07 1.83 2.96 0.39 -4.97 118.68 116.55 1pgl s LEU 119 Ca 0.05 0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.12 1pgl s LEU 119 Cb 0.01 -0.03 0.00 0.00 0.50 0.00 0.00 46.19 46.67 1pgl s LEU 119 CO -0.04 -0.22 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.94 1pgl s ILE 120 N 1.90 1.72 0.06 6.68 1.01 -1.26 -0.15 121.20 131.16 1pgl s ILE 120 Ca 0.01 -0.84 -0.26 0.00 0.00 0.00 0.00 60.65 59.56 1pgl s ILE 120 Cb -0.12 -1.49 0.07 0.00 0.01 0.00 0.00 42.46 40.92 1pgl s ILE 120 CO -0.04 0.49 0.61 0.72 0.00 0.00 0.00 174.94 176.72 1pgl s PHE 121 N 0.27 -0.56 0.25 3.97 -0.12 -0.16 -4.99 117.98 116.62 1pgl s PHE 121 Ca -0.12 0.64 0.00 0.00 -0.05 0.00 0.00 56.93 57.40 1pgl s PHE 121 Cb -0.15 0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 1pgl s PHE 121 CO 0.06 -0.73 0.43 -1.25 -0.05 0.00 0.00 175.22 173.68 1pgl s PRO 122 N -2.59 3.50 0.11 1.99 0.04 -1.26 -0.08 135.00 136.71 1pgl s PRO 122 Ca -0.04 -0.39 0.04 0.00 0.04 0.00 0.00 61.00 60.65 1pgl s PRO 122 Cb -0.01 -2.80 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 1pgl s PRO 122 CO -0.03 0.34 -0.11 0.96 0.04 0.00 0.00 177.00 178.20 1pgl s ILE 123 N -2.00 1.04 -0.02 0.56 -4.36 -0.35 -4.91 121.20 111.17 1pgl s ILE 123 Ca 0.38 -1.75 0.02 0.00 -0.26 0.00 0.00 60.65 59.04 1pgl s ILE 123 Cb -0.10 -1.49 0.00 0.00 1.25 0.00 0.00 42.46 42.12 1pgl s ILE 123 CO 0.31 -0.58 -0.05 -0.70 0.24 0.00 0.00 174.94 174.15 1pgl s GLU 124 N -3.00 0.58 -0.27 0.37 2.12 -1.26 -1.68 118.70 115.57 1pgl s GLU 124 Ca 0.08 -0.17 -0.14 0.00 0.36 0.00 0.00 54.97 55.10 1pgl s GLU 124 Cb -0.02 -0.59 -0.04 0.00 0.26 0.00 0.00 34.13 33.75 1pgl s GLU 124 CO 0.00 0.06 0.35 0.08 -0.54 0.00 0.00 175.26 175.22 1pgl s VAL 125 N 0.22 5.19 -0.10 3.70 1.01 0.06 -4.95 120.40 125.54 1pgl s VAL 125 Ca -0.02 0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.48 1pgl s VAL 125 Cb -0.07 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1pgl s VAL 125 CO -0.00 0.16 -0.12 0.00 0.00 0.00 0.00 175.10 175.14 1pgl s GLY 127 N 1.06 2.38 0.30 0.00 0.00 0.39 -4.72 107.32 106.73 1pgl s GLY 127 Ca -0.06 -1.66 0.19 0.00 0.00 0.00 0.00 44.72 43.19 1pgl s GLY 127 CO -0.02 -1.90 1.37 -0.56 0.00 0.00 0.00 173.10 172.00 1pgl h PRO 128 N 1.90 0.00 0.00 2.90 0.13 -1.79 -2.63 132.00 132.51 1pgl h PRO 128 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1pgl h PRO 128 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1pgl h PRO 128 CO 0.68 0.24 0.00 -1.71 -0.23 0.00 0.00 178.00 176.98 1pgl n ASN 129 N -3.07 0.00 -2.72 1.44 4.05 -0.89 -4.38 115.26 109.69 1pgl n ASN 129 Ca 0.01 0.93 -0.05 0.00 0.45 0.00 0.00 54.58 55.92 1pgl n ASN 129 Cb 0.65 -0.43 0.07 0.00 1.23 0.00 0.00 39.78 41.31 1pgl n ASN 129 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1pgl n ASN 130 N -1.83 0.16 0.00 1.20 4.05 -1.26 -4.76 115.26 112.81 1pgl n ASN 130 Ca 0.00 -2.37 0.00 0.00 0.45 0.00 0.00 54.58 52.66 1pgl n ASN 130 Cb 0.00 0.07 0.00 0.00 1.23 0.00 0.00 39.78 41.08 1pgl n ASN 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1pgl n GLY 131 N -0.62 0.76 3.86 8.20 0.00 -0.99 -4.99 105.19 111.41 1pgl n GLY 131 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1pgl n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pgl s PHE 132 N -2.47 3.56 -0.02 1.61 0.08 -1.23 -0.46 117.98 119.05 1pgl s PHE 132 Ca 0.00 0.91 0.04 0.00 0.12 0.00 0.00 56.93 58.00 1pgl s PHE 132 Cb 0.00 -2.26 -0.01 0.00 -0.57 0.00 0.00 43.02 40.18 1pgl s PHE 132 CO 0.00 0.43 -0.14 -2.00 -0.10 0.00 0.00 175.22 173.41 1pgl s GLU 133 N -2.12 1.25 -0.19 0.44 2.12 0.03 -2.11 118.70 118.13 1pgl s GLU 133 Ca 0.38 -0.51 -0.08 0.00 0.36 0.00 0.00 54.97 55.12 1pgl s GLU 133 Cb -0.14 -1.18 -0.04 0.00 0.26 0.00 0.00 34.13 33.03 1pgl s GLU 133 CO 0.19 0.28 0.08 1.41 -0.54 0.00 0.00 175.26 176.69 1pgl s MET 134 N -0.22 4.04 -0.37 4.30 -2.45 -1.26 -1.69 119.30 121.65 1pgl s MET 134 Ca 0.03 -0.31 -0.41 0.00 -1.25 0.00 0.00 55.69 53.75 1pgl s MET 134 Cb -0.07 -3.28 -0.16 0.00 1.25 0.00 0.00 34.83 32.57 1pgl s MET 134 CO -0.00 0.28 1.87 1.87 1.05 0.00 0.00 175.02 180.09 1pgl n TRP 135 N 3.54 1.78 -2.75 4.11 -0.00 -1.26 -2.27 117.44 120.60 1pgl n TRP 135 Ca -0.16 0.63 -0.07 0.00 -0.00 0.00 0.00 57.50 57.89 1pgl n TRP 135 Cb 0.52 -2.41 -0.01 0.00 -0.00 0.00 0.00 31.31 29.41 1pgl n TRP 135 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1pgl n SER 136 N 6.33 -1.62 -4.77 5.87 7.64 -0.39 -4.89 113.62 121.79 1pgl n SER 136 Ca 0.35 0.23 -0.37 0.00 1.01 0.00 0.00 58.87 60.09 1pgl n SER 136 Cb 0.09 -1.48 -0.00 0.00 -1.01 0.00 0.00 64.21 61.80 1pgl n SER 136 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1pgl s SER 137 N -2.17 6.07 0.39 6.43 0.15 -0.96 -4.81 113.70 118.80 1pgl s SER 137 Ca 0.11 2.35 0.26 0.00 0.70 0.00 0.00 55.95 59.37 1pgl s SER 137 Cb -0.06 -2.61 0.79 0.00 -1.71 0.00 0.00 66.02 62.43 1pgl s SER 137 CO 0.13 -0.99 1.76 -0.08 1.20 0.00 0.00 173.24 175.26 1pgl h GLU 138 N 1.97 0.00 0.00 5.44 4.81 -1.90 0.44 114.58 125.34 1pgl h GLU 138 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1pgl h GLU 138 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1pgl h GLU 138 CO 0.60 0.00 0.00 1.87 -0.73 0.00 0.00 179.01 180.75 1pgl n TRP 139 N -2.80 0.00 -0.77 0.92 -0.00 -1.26 -1.79 117.44 111.75 1pgl n TRP 139 Ca 0.03 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.34 1pgl n TRP 139 Cb 0.41 0.00 0.09 0.00 -0.00 0.00 0.00 31.31 31.81 1pgl n TRP 139 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1pgl n ALA 140 N -3.00 5.06 -3.45 5.87 0.00 -1.26 -4.73 120.51 119.00 1pgl n ALA 140 Ca 0.00 -2.15 -0.18 0.00 0.00 0.00 0.00 53.44 51.11 1pgl n ALA 140 Cb 0.00 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.11 1pgl n ALA 140 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pgl n ASN 141 N -0.39 -3.27 -4.24 0.00 4.13 -0.74 -4.98 115.26 105.76 1pgl n ASN 141 Ca 0.42 -0.71 -0.29 0.00 1.68 0.00 0.00 54.58 55.67 1pgl n ASN 141 Cb 0.98 -4.84 0.20 0.00 -1.54 0.00 0.00 39.78 34.58 1pgl n ASN 141 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1pgl s GLN 142 N -5.26 -0.22 0.00 3.52 -0.21 0.14 -4.99 119.66 112.64 1pgl s GLN 142 Ca 0.15 0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.63 1pgl s GLN 142 Cb -0.03 -1.70 0.00 0.00 1.00 0.00 0.00 33.01 32.29 1pgl s GLN 142 CO 0.76 -3.08 0.00 -2.37 -2.12 0.00 0.00 175.29 168.48 1pgl n THR 143 N -4.34 0.00 -2.38 -0.19 5.66 -1.26 -3.97 114.28 107.79 1pgl n THR 143 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1pgl n THR 143 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1pgl n THR 143 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1pgl n SER 144 N 0.00 0.00 -3.69 1.09 2.88 -0.90 -1.26 113.62 111.73 1pgl n SER 144 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1pgl n SER 144 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 1pgl n SER 144 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1pgl s TRP 145 N -1.53 0.49 -0.10 0.66 0.23 -1.26 -4.35 118.94 113.09 1pgl s TRP 145 Ca 0.00 -0.30 -0.01 0.00 -2.03 0.00 0.00 56.10 53.76 1pgl s TRP 145 Cb 0.00 -0.76 -0.03 0.00 0.03 0.00 0.00 33.47 32.71 1pgl s TRP 145 CO 0.00 -0.43 -0.05 -1.01 0.96 0.00 0.00 176.95 176.42 1pgl s HIS 146 N 2.03 3.00 -0.35 -1.98 3.76 0.86 -1.41 115.29 121.20 1pgl s HIS 146 Ca 0.03 -0.07 -0.05 0.00 -0.15 0.00 0.00 55.06 54.81 1pgl s HIS 146 Cb -0.15 -1.80 0.05 0.00 1.11 0.00 0.00 32.58 31.80 1pgl s HIS 146 CO -0.07 0.22 0.12 -1.17 -0.85 0.00 0.00 174.74 172.99 1pgl s LEU 147 N -0.42 4.45 -0.05 0.89 2.96 0.08 -1.73 118.68 124.86 1pgl s LEU 147 Ca 0.07 -1.32 -0.02 0.00 -0.22 0.00 0.00 54.13 52.64 1pgl s LEU 147 Cb -0.12 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1pgl s LEU 147 CO 0.02 -0.37 0.08 -0.44 -1.32 0.00 0.00 176.35 174.33 1pgl s SER 148 N 1.52 5.77 0.00 3.68 0.01 -0.23 -0.36 113.70 124.10 1pgl s SER 148 Ca -0.01 0.23 0.07 0.00 1.31 0.00 0.00 55.95 57.54 1pgl s SER 148 Cb -0.20 -1.71 -0.02 0.00 0.21 0.00 0.00 66.02 64.30 1pgl s SER 148 CO 0.01 0.32 -0.20 -0.36 0.41 0.00 0.00 173.24 173.42 1pgl s PHE 149 N -1.10 1.80 -0.33 2.43 0.40 -0.08 -0.65 117.98 120.46 1pgl s PHE 149 Ca 0.19 -0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.20 1pgl s PHE 149 Cb -0.12 -1.13 0.10 0.00 0.51 0.00 0.00 43.02 42.38 1pgl s PHE 149 CO 0.10 0.01 0.05 -1.17 0.70 0.00 0.00 175.22 174.91 1pgl s LEU 150 N -0.70 4.17 -0.33 -0.37 0.20 -0.37 -2.53 118.68 118.76 1pgl s LEU 150 Ca 0.08 -2.01 -0.22 0.00 0.69 0.00 0.00 54.13 52.67 1pgl s LEU 150 Cb -0.08 -1.46 0.00 0.00 -0.43 0.00 0.00 46.19 44.22 1pgl s LEU 150 CO 0.00 -0.38 0.71 -0.69 -0.29 0.00 0.00 176.35 175.70 1pgl s VAL 151 N 1.06 4.84 -0.40 1.68 1.01 0.10 -1.79 120.40 126.89 1pgl s VAL 151 Ca 0.10 0.89 -0.17 0.00 0.00 0.00 0.00 61.98 62.79 1pgl s VAL 151 Cb -0.19 -4.11 0.01 0.00 0.00 0.00 0.00 36.38 32.10 1pgl s VAL 151 CO -0.11 -0.28 0.46 -0.62 0.00 0.00 0.00 175.10 174.55 1pgl s ASP 152 N 1.71 6.22 -0.08 3.32 3.68 -0.39 -1.27 116.67 129.87 1pgl s ASP 152 Ca 0.28 -0.50 -0.00 0.00 2.13 0.00 0.00 52.55 54.47 1pgl s ASP 152 Cb -0.14 -2.24 0.00 0.00 -1.45 0.00 0.00 42.92 39.09 1pgl s ASP 152 CO 0.14 -0.56 0.07 -3.20 0.13 0.00 0.00 175.17 171.75 1pgl n ASN 153 N 5.67 -2.61 0.05 -0.34 2.85 -0.49 -2.90 115.26 117.49 1pgl n ASN 153 Ca -0.07 -0.01 0.03 0.00 -0.11 0.00 0.00 54.58 54.43 1pgl n ASN 153 Cb 0.48 -1.45 0.16 0.00 1.24 0.00 0.00 39.78 40.20 1pgl n ASN 153 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1pgl n PRO 154 N -1.07 0.04 0.02 1.20 -0.02 -1.26 -1.89 135.00 132.02 1pgl n PRO 154 Ca 0.00 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.11 1pgl n PRO 154 Cb 0.49 -1.67 0.34 0.00 -0.02 0.00 0.00 33.50 32.64 1pgl n PRO 154 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1pgl n LYS 155 N -1.68 0.08 -0.08 -0.52 5.02 -1.26 -3.90 118.16 115.81 1pgl n LYS 155 Ca -0.00 0.03 -0.17 0.00 -2.02 0.00 0.00 58.31 56.15 1pgl n LYS 155 Cb 0.05 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 1pgl n LYS 155 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1pgl n GLN 156 N -1.68 0.37 -2.98 1.97 6.02 -0.79 -4.64 117.38 115.65 1pgl n GLN 156 Ca 0.05 0.16 -0.44 0.00 -0.01 0.00 0.00 57.00 56.76 1pgl n GLN 156 Cb 0.36 -1.13 -0.01 0.00 1.02 0.00 0.00 30.24 30.49 1pgl n GLN 156 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1pgl s SER 157 N -6.49 6.99 -0.09 1.08 0.01 -1.16 -0.58 113.70 113.46 1pgl s SER 157 Ca -0.24 -2.84 0.00 0.00 1.31 0.00 0.00 55.95 54.18 1pgl s SER 157 Cb 0.08 -2.38 -0.25 0.00 0.21 0.00 0.00 66.02 63.68 1pgl s SER 157 CO 0.31 -0.77 0.48 0.35 0.41 0.00 0.00 173.24 174.02 1pgl n THR 158 N 4.63 1.73 -4.71 1.44 -2.24 -1.25 -4.61 114.28 109.26 1pgl n THR 158 Ca 0.32 -0.71 -0.28 0.00 -2.27 0.00 0.00 64.05 61.11 1pgl n THR 158 Cb 0.44 -1.49 -0.14 0.00 -2.10 0.00 0.00 70.33 67.04 1pgl n THR 158 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1pgl s THR 159 N -2.57 2.00 -0.04 4.28 2.01 -0.68 -1.14 115.64 119.49 1pgl s THR 159 Ca -0.16 -1.41 0.01 0.00 0.31 0.00 0.00 61.69 60.44 1pgl s THR 159 Cb 0.07 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.87 1pgl s THR 159 CO 0.79 0.25 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.58 1pgl s PHE 160 N -0.87 0.64 -0.09 4.92 0.08 -0.40 -1.28 117.98 120.99 1pgl s PHE 160 Ca 0.11 -0.16 0.03 0.00 0.12 0.00 0.00 56.93 57.03 1pgl s PHE 160 Cb -0.10 -0.63 -0.01 0.00 -0.57 0.00 0.00 43.02 41.71 1pgl s PHE 160 CO 0.03 -0.20 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.25 1pgl s ASP 161 N 1.09 3.55 -0.19 1.36 1.11 -0.50 -0.74 116.67 122.35 1pgl s ASP 161 Ca -0.08 -0.40 -0.01 0.00 0.18 0.00 0.00 52.55 52.23 1pgl s ASP 161 Cb -0.14 -1.19 0.01 0.00 1.07 0.00 0.00 42.92 42.67 1pgl s ASP 161 CO -0.01 0.22 -0.14 -0.69 1.18 0.00 0.00 175.17 175.73 1pgl s VAL 162 N -0.02 2.61 0.13 -1.27 1.01 -0.38 -1.08 120.40 121.40 1pgl s VAL 162 Ca -0.06 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.24 1pgl s VAL 162 Cb -0.15 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1pgl s VAL 162 CO 0.05 0.50 -0.11 -0.76 0.00 0.00 0.00 175.10 174.77 1pgl s LEU 163 N 1.27 2.97 0.03 3.92 1.02 0.01 -0.66 118.68 127.24 1pgl s LEU 163 Ca 0.03 -0.47 0.05 0.00 0.02 0.00 0.00 54.13 53.77 1pgl s LEU 163 Cb -0.14 -1.74 -0.02 0.00 0.02 0.00 0.00 46.19 44.31 1pgl s LEU 163 CO -0.07 0.16 -0.15 -0.76 0.02 0.00 0.00 176.35 175.54 1pgl s LEU 164 N -2.38 2.16 -0.05 1.79 1.43 -0.23 -1.52 118.68 119.87 1pgl s LEU 164 Ca 0.22 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.92 1pgl s LEU 164 Cb -0.10 -0.69 -0.00 0.00 0.03 0.00 0.00 46.19 45.42 1pgl s LEU 164 CO 0.14 0.07 -0.19 -0.83 0.23 0.00 0.00 176.35 175.77 1pgl s GLY 165 N -1.06 1.03 0.13 -3.19 0.00 -0.04 -1.23 107.32 102.95 1pgl s GLY 165 Ca 0.03 -0.78 -0.11 0.00 0.00 0.00 0.00 44.72 43.86 1pgl s GLY 165 CO 0.01 -0.41 0.48 -1.50 0.00 0.00 0.00 173.10 171.68 1pgl s ILE 166 N 0.03 4.99 0.35 0.90 2.07 -1.26 -0.13 121.20 128.14 1pgl s ILE 166 Ca -0.05 0.57 0.07 0.00 -1.41 0.00 0.00 60.65 59.83 1pgl s ILE 166 Cb -0.13 -3.67 -0.01 0.00 0.13 0.00 0.00 42.46 38.78 1pgl s ILE 166 CO 0.03 0.20 0.41 -0.94 -1.91 0.00 0.00 174.94 172.73 1pgl s SER 167 N -1.88 5.62 0.59 4.50 1.04 -1.18 -4.92 113.70 117.46 1pgl s SER 167 Ca 0.37 -0.37 0.29 0.00 0.48 0.00 0.00 55.95 56.72 1pgl s SER 167 Cb -0.14 -1.03 1.68 0.00 0.10 0.00 0.00 66.02 66.64 1pgl s SER 167 CO 0.19 -0.45 2.13 -0.61 0.98 0.00 0.00 173.24 175.48 1pgl h GLN 168 N 1.01 0.00 -0.11 4.02 5.75 -1.94 -2.03 115.11 121.80 1pgl h GLN 168 Ca -0.44 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 1pgl h GLN 168 Cb 1.26 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.81 1pgl h GLN 168 CO 0.54 0.00 0.00 0.27 -2.65 0.00 0.00 178.83 176.99 1pgl n ASN 169 N -3.82 3.09 -4.73 -0.69 6.94 -1.26 -4.95 115.26 109.84 1pgl n ASN 169 Ca 0.01 -1.99 -0.42 0.00 -0.02 0.00 0.00 54.58 52.15 1pgl n ASN 169 Cb 0.27 -0.06 -0.03 0.00 -2.36 0.00 0.00 39.78 37.61 1pgl n ASN 169 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1pgl s PHE 170 N -1.89 2.99 -0.04 -2.53 5.36 -0.77 -4.55 117.98 116.56 1pgl s PHE 170 Ca 0.31 0.71 -0.02 0.00 -0.96 0.00 0.00 56.93 56.96 1pgl s PHE 170 Cb 0.21 -3.95 0.02 0.00 -0.34 0.00 0.00 43.02 38.96 1pgl s PHE 170 CO 0.30 -3.37 0.09 -2.00 -1.46 0.00 0.00 175.22 168.78 1pgl s GLU 171 N 0.55 0.07 0.34 10.12 2.12 0.58 -4.99 118.70 127.49 1pgl s GLU 171 Ca 0.67 0.19 0.04 0.00 0.36 0.00 0.00 54.97 56.23 1pgl s GLU 171 Cb -0.45 -0.06 -0.06 0.00 0.26 0.00 0.00 34.13 33.83 1pgl s GLU 171 CO 0.37 -0.08 0.07 0.96 -0.54 0.00 0.00 175.26 176.04 1pgl s ILE 172 N 0.49 1.11 -0.24 -3.70 -4.36 -1.26 -1.11 121.20 112.13 1pgl s ILE 172 Ca -0.04 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.09 1pgl s ILE 172 Cb -0.05 -2.72 0.08 0.00 1.25 0.00 0.00 42.46 41.01 1pgl s ILE 172 CO -0.02 0.00 0.76 0.00 0.24 0.00 0.00 174.94 175.92 1pgl s ALA 173 N -3.28 -1.80 0.01 2.27 0.00 -0.36 -4.99 121.76 113.62 1pgl s ALA 173 Ca 0.34 1.91 0.00 0.00 0.00 0.00 0.00 51.96 54.21 1pgl s ALA 173 Cb 0.08 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1pgl s ALA 173 CO 0.15 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1pgl n GLY 174 N 2.35 -2.62 3.19 0.00 0.00 -1.26 -1.09 105.19 105.75 1pgl n GLY 174 Ca -0.14 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 1pgl n GLY 174 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pgl s ASN 175 N -4.09 2.53 -0.26 1.61 2.47 -1.26 -2.35 114.94 113.59 1pgl s ASN 175 Ca 0.00 -0.42 -0.10 0.00 0.42 0.00 0.00 52.86 52.76 1pgl s ASN 175 Cb 0.00 -0.71 -0.05 0.00 -1.45 0.00 0.00 41.25 39.04 1pgl s ASN 175 CO 0.00 0.19 0.16 -0.89 -3.72 0.00 0.00 177.10 172.83 1pgl s THR 176 N -0.03 5.12 -0.05 -5.21 2.01 -0.10 -4.73 115.64 112.66 1pgl s THR 176 Ca -0.04 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 1pgl s THR 176 Cb -0.13 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 1pgl s THR 176 CO 0.03 0.30 1.51 -0.76 -0.69 0.00 0.00 174.62 175.00 1pgl s LEU 177 N 1.51 4.30 0.17 4.42 1.43 -1.26 -4.72 118.68 124.53 1pgl s LEU 177 Ca 0.07 2.12 0.09 0.00 -1.03 0.00 0.00 54.13 55.38 1pgl s LEU 177 Cb -0.15 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1pgl s LEU 177 CO 0.08 -0.83 -0.18 -0.04 0.23 0.00 0.00 176.35 175.61 1pgl s MET 178 N 3.32 1.28 0.83 1.70 -1.94 -1.26 -5.12 119.30 118.11 1pgl s MET 178 Ca 0.67 -1.42 -0.12 0.00 -1.71 0.00 0.00 55.69 53.12 1pgl s MET 178 Cb -0.31 -1.34 0.09 0.00 2.01 0.00 0.00 34.83 35.28 1pgl s MET 178 CO 0.26 0.27 1.11 -1.25 -0.01 0.00 0.00 175.02 175.40 1pgl s PRO 179 N -2.82 1.77 0.37 2.03 0.04 -1.26 -4.96 135.00 130.17 1pgl s PRO 179 Ca 0.16 0.56 -0.28 0.00 0.04 0.00 0.00 61.00 61.48 1pgl s PRO 179 Cb -0.06 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 1pgl s PRO 179 CO 0.07 -1.82 1.42 0.00 0.04 0.00 0.00 177.00 176.71 1pgl n ALA 180 N -3.55 1.99 -2.70 8.56 0.00 -1.26 -4.95 120.51 118.60 1pgl n ALA 180 Ca 0.07 0.34 -0.41 0.00 0.00 0.00 0.00 53.44 53.45 1pgl n ALA 180 Cb 0.57 -2.36 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 1pgl n ALA 180 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pgl s PHE 181 N -1.11 3.56 -0.09 0.00 2.99 -1.26 -5.01 117.98 117.06 1pgl s PHE 181 Ca 0.54 1.35 -0.30 0.00 0.00 0.00 0.00 56.93 58.53 1pgl s PHE 181 Cb -0.51 -2.92 -0.02 0.00 0.00 0.00 0.00 43.02 39.57 1pgl s PHE 181 CO 0.63 -0.00 1.17 0.45 -0.00 0.00 0.00 175.22 177.47 1pgl s SER 182 N 0.92 7.06 -0.20 1.36 0.15 -1.26 -5.01 113.70 116.72 1pgl s SER 182 Ca 0.41 1.72 -0.20 0.00 0.70 0.00 0.00 55.95 58.58 1pgl s SER 182 Cb -0.18 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 1pgl s SER 182 CO 0.19 -0.60 0.59 -0.69 1.20 0.00 0.00 173.24 173.93 1pgl s VAL 183 N 2.49 5.05 1.18 4.45 1.01 -1.26 -4.96 120.40 128.36 1pgl s VAL 183 Ca 0.54 1.10 -0.18 0.00 0.00 0.00 0.00 61.98 63.44 1pgl s VAL 183 Cb -0.23 -3.91 0.27 0.00 0.00 0.00 0.00 36.38 32.52 1pgl s VAL 183 CO 0.19 0.13 1.08 -2.84 0.00 0.00 0.00 175.10 173.66 1pgl s PRO 184 N 1.83 -1.04 0.00 2.72 0.02 -1.26 -5.24 135.00 132.03 1pgl s PRO 184 Ca 0.27 0.15 0.00 0.00 0.02 0.00 0.00 61.00 61.44 1pgl s PRO 184 Cb -0.16 -1.60 0.00 0.00 0.02 0.00 0.00 34.50 32.77 1pgl s PRO 184 CO 0.10 -3.63 0.00 1.04 -0.33 0.00 0.00 177.00 174.18