#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pgz h ASP -4 N 0.00 0.00 -0.48 -1.12 3.32 -2.06 -3.14 116.42 112.94 2pgz h ASP -4 Ca 0.00 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 2pgz h ASP -4 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2pgz h ASP -4 CO 0.00 0.02 0.10 -0.78 -1.72 0.00 0.00 179.24 176.86 2pgz h ASP -3 N 0.00 0.75 -0.78 6.45 -0.00 -2.05 -2.04 116.42 118.74 2pgz h ASP -3 Ca 0.00 -0.25 0.01 0.00 -0.00 0.00 0.00 57.03 56.79 2pgz h ASP -3 Cb 0.93 -0.20 -0.04 0.00 -0.00 0.00 0.00 39.33 40.02 2pgz h ASP -3 CO 0.00 0.80 0.51 0.44 -0.00 0.00 0.00 179.24 180.99 2pgz h ASP -2 N 0.66 0.91 -0.44 2.28 3.45 -2.00 -1.95 116.42 119.33 2pgz h ASP -2 Ca 0.15 -0.03 -0.05 0.00 0.43 0.00 0.00 57.03 57.53 2pgz h ASP -2 Cb 0.36 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 2pgz h ASP -2 CO 0.01 0.66 0.11 0.11 -1.57 0.00 0.00 179.24 178.56 2pgz h LYS -1 N 1.06 0.78 -0.49 3.56 1.57 -1.48 -0.75 116.57 120.84 2pgz h LYS -1 Ca 0.29 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 2pgz h LYS -1 Cb -0.11 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 2pgz h LYS -1 CO -0.06 0.72 -0.05 1.25 -0.57 0.00 0.00 179.45 180.73 2pgz h LEU 0 N 0.75 0.89 -0.71 2.94 6.46 -1.07 -1.82 115.31 122.74 2pgz h LEU 0 Ca 0.16 -0.33 -0.06 0.00 -0.12 0.00 0.00 57.88 57.53 2pgz h LEU 0 Cb 0.30 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.96 2pgz h LEU 0 CO 0.00 1.01 0.20 0.45 -0.62 0.00 0.00 178.44 179.48 2pgz h HIS 1 N 0.75 1.16 -0.59 1.25 3.86 -0.94 -0.97 115.15 119.67 2pgz h HIS 1 Ca 0.13 -0.13 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 2pgz h HIS 1 Cb 0.59 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 2pgz h HIS 1 CO 0.04 0.93 -0.03 0.66 0.86 0.00 0.00 177.93 180.40 2pgz h SER 2 N 1.06 1.04 -0.59 2.45 4.64 -1.08 -0.94 113.55 120.13 2pgz h SER 2 Ca 0.23 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 2pgz h SER 2 Cb 0.33 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 2pgz h SER 2 CO -0.00 1.11 0.29 1.56 -0.87 0.00 0.00 176.83 178.92 2pgz h GLN 3 N 0.96 0.84 -0.28 4.77 4.20 -1.15 -1.98 115.11 122.47 2pgz h GLN 3 Ca 0.16 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 2pgz h GLN 3 Cb 0.59 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2pgz h GLN 3 CO 0.04 0.67 -0.29 0.00 -0.67 0.00 0.00 178.83 178.58 2pgz h ALA 4 N 1.12 0.99 -0.38 3.87 0.00 -0.98 -1.31 119.26 122.57 2pgz h ALA 4 Ca 0.20 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2pgz h ALA 4 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2pgz h ALA 4 CO -0.03 0.60 0.03 -0.91 0.00 0.00 0.00 179.25 178.94 2pgz h ASN 5 N 0.49 0.63 -0.36 0.00 2.35 -1.05 -1.00 115.58 116.64 2pgz h ASN 5 Ca 0.06 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 2pgz h ASN 5 Cb 0.75 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 2pgz h ASN 5 CO 0.06 0.76 0.12 0.25 -1.65 0.00 0.00 177.43 176.96 2pgz h LEU 6 N 0.48 0.51 -1.10 1.61 5.85 -1.24 0.64 115.31 122.06 2pgz h LEU 6 Ca 0.11 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2pgz h LEU 6 Cb 0.42 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 2pgz h LEU 6 CO 0.01 0.58 0.61 0.24 -0.34 0.00 0.00 178.44 179.54 2pgz h MET 7 N 0.42 1.18 -0.34 1.25 2.86 -1.22 -1.08 114.93 118.01 2pgz h MET 7 Ca 0.12 -0.07 -0.17 0.00 -2.06 0.00 0.00 59.70 57.51 2pgz h MET 7 Cb 0.24 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 2pgz h MET 7 CO -0.00 0.78 -0.46 -0.09 1.06 0.00 0.00 176.91 178.20 2pgz h ARG 8 N 1.22 0.90 0.24 1.72 2.43 -0.87 -1.65 114.38 118.37 2pgz h ARG 8 Ca 0.35 -0.52 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 2pgz h ARG 8 Cb -0.10 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2pgz h ARG 8 CO -0.08 1.16 -0.11 1.25 -1.51 0.00 0.00 179.97 180.67 2pgz h LEU 9 N 0.72 -0.27 -0.95 3.80 5.85 -0.60 -0.98 115.31 122.88 2pgz h LEU 9 Ca 0.04 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2pgz h LEU 9 Cb 1.06 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 2pgz h LEU 9 CO 0.11 -0.19 0.63 0.11 -0.34 0.00 0.00 178.44 178.75 2pgz h LYS 10 N -0.32 1.23 -0.53 1.25 1.57 -1.20 -0.59 116.57 117.98 2pgz h LYS 10 Ca -0.03 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2pgz h LYS 10 Cb 0.24 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2pgz h LYS 10 CO 0.05 0.81 0.34 1.03 -0.57 0.00 0.00 179.45 181.12 2pgz h SER 11 N 1.26 0.59 -0.25 0.86 0.87 -1.21 -1.75 113.55 113.93 2pgz h SER 11 Ca 0.36 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.78 2pgz h SER 11 Cb -0.10 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 2pgz h SER 11 CO -0.09 0.43 -0.31 0.44 -0.53 0.00 0.00 176.83 176.77 2pgz h ASP 12 N 0.70 0.79 -0.11 6.23 3.32 -0.32 -0.31 116.42 126.72 2pgz h ASP 12 Ca 0.19 -0.32 -0.21 0.00 0.02 0.00 0.00 57.03 56.72 2pgz h ASP 12 Cb -0.07 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.26 2pgz h ASP 12 CO -0.05 1.04 -0.71 -0.07 -1.72 0.00 0.00 179.24 177.73 2pgz h LEU 13 N 0.65 0.88 0.00 1.55 3.38 -1.09 -3.34 115.31 117.34 2pgz h LEU 13 Ca 0.07 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2pgz h LEU 13 Cb 0.84 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2pgz h LEU 13 CO 0.07 1.33 -0.98 0.49 0.09 0.00 0.00 178.44 179.45 2pgz n PHE 14 N -3.94 0.04 -2.71 1.13 0.99 -0.66 -5.02 117.46 107.29 2pgz n PHE 14 Ca -0.06 0.01 -0.34 0.00 -0.00 0.00 0.00 57.45 57.06 2pgz n PHE 14 Cb 0.71 -0.15 -0.00 0.00 -1.00 0.00 0.00 39.48 39.03 2pgz n PHE 14 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2pgz n ASN 15 N -1.63 6.07 -3.65 4.37 4.13 -0.13 -5.06 115.26 119.36 2pgz n ASN 15 Ca 0.03 -3.70 -0.05 0.00 1.68 0.00 0.00 54.58 52.55 2pgz n ASN 15 Cb 0.36 -0.88 -0.06 0.00 -1.54 0.00 0.00 39.78 37.67 2pgz n ASN 15 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2pgz s TYR 20 N -3.93 -1.14 -1.86 3.10 5.04 -1.26 -4.98 117.35 112.32 2pgz s TYR 20 Ca 0.44 2.10 0.05 0.00 -2.44 0.00 0.00 57.07 57.22 2pgz s TYR 20 Cb 0.25 0.66 0.14 0.00 0.35 0.00 0.00 41.96 43.36 2pgz s TYR 20 CO -0.16 -0.58 1.07 -0.35 -1.34 0.00 0.00 175.55 174.20 2pgz n PRO 21 N 4.95 1.42 0.00 4.97 -0.04 -1.26 -4.89 135.00 140.15 2pgz n PRO 21 Ca -0.15 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 2pgz n PRO 21 Cb 0.53 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 2pgz n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pgz n GLY 22 N 0.68 -0.30 3.77 0.55 0.00 -1.26 -5.00 105.19 103.61 2pgz n GLY 22 Ca 0.05 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 2pgz n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pgz s PRO 23 N -2.12 2.15 0.26 1.61 0.04 -1.26 -5.05 135.00 130.62 2pgz s PRO 23 Ca 0.00 1.07 -0.02 0.00 0.04 0.00 0.00 61.00 62.09 2pgz s PRO 23 Cb 0.00 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 2pgz s PRO 23 CO 0.00 -1.69 0.28 0.95 0.04 0.00 0.00 177.00 176.58 2pgz s THR 24 N -2.93 0.00 0.43 1.26 -4.23 -0.73 -4.99 115.64 104.45 2pgz s THR 24 Ca 0.61 -1.83 0.12 0.00 -1.18 0.00 0.00 61.69 59.41 2pgz s THR 24 Cb -0.17 -2.47 0.30 0.00 1.34 0.00 0.00 72.50 71.51 2pgz s THR 24 CO 0.56 0.00 2.03 0.11 -0.54 0.00 0.00 174.62 176.78 2pgz h LYS 25 N 2.38 0.41 0.00 3.99 1.57 -1.91 -1.15 116.57 121.86 2pgz h LYS 25 Ca -0.31 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 2pgz h LYS 25 Cb 1.24 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2pgz h LYS 25 CO 0.44 0.27 -0.34 -0.44 -0.57 0.00 0.00 179.45 178.81 2pgz h ASP 26 N 0.42 0.00 -2.03 0.86 3.32 -1.96 -3.38 116.42 113.64 2pgz h ASP 26 Ca 0.20 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.69 2pgz h ASP 26 Cb 0.28 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.43 2pgz h ASP 26 CO -0.05 0.16 -1.04 -0.67 -1.72 0.00 0.00 179.24 175.92 2pgz n ASP 27 N -3.06 0.74 -4.84 6.45 2.03 -0.60 -5.13 116.55 112.13 2pgz n ASP 27 Ca 0.02 -2.82 -0.31 0.00 0.52 0.00 0.00 54.79 52.21 2pgz n ASP 27 Cb 0.60 -0.64 0.04 0.00 -0.72 0.00 0.00 41.12 40.40 2pgz n ASP 27 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2pgz s PRO 28 N -1.44 3.04 -0.01 -0.67 0.04 -0.54 -1.78 135.00 133.65 2pgz s PRO 28 Ca 0.36 0.77 0.03 0.00 0.04 0.00 0.00 61.00 62.20 2pgz s PRO 28 Cb 0.18 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.70 2pgz s PRO 28 CO -0.09 -0.98 -0.10 -1.17 0.04 0.00 0.00 177.00 174.70 2pgz s LEU 29 N -5.43 1.94 -0.26 -3.56 2.96 -0.33 -4.93 118.68 109.08 2pgz s LEU 29 Ca 0.57 -0.19 -0.10 0.00 -0.22 0.00 0.00 54.13 54.20 2pgz s LEU 29 Cb -0.13 -0.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.98 2pgz s LEU 29 CO 0.54 0.11 0.16 -0.89 -1.32 0.00 0.00 176.35 174.95 2pgz s THR 30 N -0.10 5.17 -0.22 3.68 2.01 -1.26 -0.94 115.64 123.98 2pgz s THR 30 Ca 0.02 0.12 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 2pgz s THR 30 Cb -0.05 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2pgz s THR 30 CO -0.00 0.30 0.10 -0.69 -0.69 0.00 0.00 174.62 173.64 2pgz s VAL 31 N 1.48 4.83 -0.10 3.82 1.01 0.28 -4.55 120.40 127.17 2pgz s VAL 31 Ca 0.07 -0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.86 2pgz s VAL 31 Cb -0.15 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2pgz s VAL 31 CO 0.08 0.38 0.50 -0.89 0.00 0.00 0.00 175.10 175.17 2pgz s THR 32 N 1.03 5.16 0.12 3.92 2.01 0.14 -1.44 115.64 126.58 2pgz s THR 32 Ca 0.05 1.01 0.10 0.00 0.31 0.00 0.00 61.69 63.16 2pgz s THR 32 Cb -0.14 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2pgz s THR 32 CO 0.04 0.33 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.31 2pgz s LEU 33 N 0.56 2.49 -0.04 4.42 1.43 0.09 -1.40 118.68 126.23 2pgz s LEU 33 Ca 0.27 -0.64 -0.24 0.00 -1.03 0.00 0.00 54.13 52.49 2pgz s LEU 33 Cb -0.16 -1.38 0.05 0.00 0.03 0.00 0.00 46.19 44.74 2pgz s LEU 33 CO 0.11 0.19 0.52 -0.83 0.23 0.00 0.00 176.35 176.57 2pgz s GLY 34 N -2.02 -0.39 -0.01 -3.19 0.00 -0.81 -4.32 107.32 96.57 2pgz s GLY 34 Ca 0.16 0.90 0.05 0.00 0.00 0.00 0.00 44.72 45.83 2pgz s GLY 34 CO 0.08 0.61 -0.15 -1.36 0.00 0.00 0.00 173.10 172.28 2pgz s PHE 35 N -1.20 2.67 -0.35 1.90 0.08 -1.26 -0.42 117.98 119.40 2pgz s PHE 35 Ca -0.12 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 56.76 2pgz s PHE 35 Cb -0.02 -1.57 0.09 0.00 -0.57 0.00 0.00 43.02 40.95 2pgz s PHE 35 CO 0.07 0.23 0.07 0.99 -0.10 0.00 0.00 175.22 176.48 2pgz s THR 36 N -0.83 2.66 -0.25 0.64 2.01 -0.29 -1.53 115.64 118.06 2pgz s THR 36 Ca 0.13 -2.05 -0.28 0.00 0.31 0.00 0.00 61.69 59.80 2pgz s THR 36 Cb -0.11 -2.81 0.01 0.00 0.01 0.00 0.00 72.50 69.60 2pgz s THR 36 CO 0.03 -0.49 1.00 -0.22 -0.69 0.00 0.00 174.62 174.25 2pgz s LEU 37 N 1.04 4.07 -0.19 4.42 2.96 -0.59 -1.09 118.68 129.30 2pgz s LEU 37 Ca 0.06 1.24 0.08 0.00 -0.22 0.00 0.00 54.13 55.28 2pgz s LEU 37 Cb -0.20 -3.47 -0.22 0.00 0.50 0.00 0.00 46.19 42.80 2pgz s LEU 37 CO -0.06 -0.68 0.06 1.67 -1.32 0.00 0.00 176.35 176.03 2pgz n GLN 38 N 6.36 0.68 -3.64 1.98 7.27 0.10 -3.43 117.38 126.70 2pgz n GLN 38 Ca 0.11 0.13 -0.10 0.00 0.07 0.00 0.00 57.00 57.20 2pgz n GLN 38 Cb 0.47 -1.58 -0.07 0.00 2.41 0.00 0.00 30.24 31.47 2pgz n GLN 38 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2pgz s ASP 39 N -6.17 -0.56 -0.43 1.69 2.15 -0.82 -0.32 116.67 112.20 2pgz s ASP 39 Ca -0.21 1.07 -0.19 0.00 0.43 0.00 0.00 52.55 53.64 2pgz s ASP 39 Cb 0.07 1.10 0.02 0.00 -0.30 0.00 0.00 42.92 43.81 2pgz s ASP 39 CO 0.73 -0.18 0.57 -0.63 -0.17 0.00 0.00 175.17 175.49 2pgz s ILE 40 N 0.40 4.92 -0.08 4.11 1.01 -1.26 -0.70 121.20 129.60 2pgz s ILE 40 Ca 0.01 -0.04 -0.20 0.00 0.00 0.00 0.00 60.65 60.42 2pgz s ILE 40 Cb -0.05 -4.14 -0.29 0.00 0.01 0.00 0.00 42.46 37.99 2pgz s ILE 40 CO -0.05 -0.52 0.72 0.58 0.00 0.00 0.00 174.94 175.67 2pgz h VAL 41 N 5.82 1.32 -2.94 2.92 2.07 -1.30 -3.41 116.25 120.73 2pgz h VAL 41 Ca -0.26 -2.45 -0.15 0.00 0.82 0.00 0.00 66.70 64.66 2pgz h VAL 41 Cb 1.10 2.99 -0.26 0.00 -1.52 0.00 0.00 31.29 33.60 2pgz h VAL 41 CO 0.85 0.68 -0.35 -0.75 0.02 0.00 0.00 177.57 178.02 2pgz s LYS 42 N -2.43 0.36 -0.15 1.57 2.20 -1.23 -4.89 119.74 115.17 2pgz s LYS 42 Ca -0.17 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 2pgz s LYS 42 Cb 0.02 0.13 0.02 0.00 -1.51 0.00 0.00 37.83 36.50 2pgz s LYS 42 CO 0.78 -0.07 -0.14 0.00 -0.36 0.00 0.00 175.35 175.56 2pgz s ALA 43 N 0.39 1.89 -0.43 3.13 0.00 -1.26 -0.84 121.76 124.65 2pgz s ALA 43 Ca -0.02 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 2pgz s ALA 43 Cb -0.04 -1.08 0.08 0.00 0.00 0.00 0.00 23.12 22.09 2pgz s ALA 43 CO -0.02 -0.41 0.27 0.34 0.00 0.00 0.00 175.76 175.94 2pgz s ASP 44 N 1.47 5.64 0.05 0.00 -1.08 0.22 -4.94 116.67 118.03 2pgz s ASP 44 Ca 0.05 -1.56 0.21 0.00 -0.52 0.00 0.00 52.55 50.73 2pgz s ASP 44 Cb -0.13 -1.99 0.89 0.00 -1.46 0.00 0.00 42.92 40.23 2pgz s ASP 44 CO -0.11 -0.56 1.68 -1.54 0.52 0.00 0.00 175.17 175.16 2pgz n SER 45 N 4.91 0.14 0.13 -0.34 3.41 -1.26 -0.75 113.62 119.87 2pgz n SER 45 Ca -0.10 0.53 0.05 0.00 -0.26 0.00 0.00 58.87 59.09 2pgz n SER 45 Cb 0.43 -0.56 0.03 0.00 -0.26 0.00 0.00 64.21 63.84 2pgz n SER 45 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2pgz h SER 46 N 0.00 0.00 0.00 4.04 4.64 -1.95 -3.36 113.55 116.91 2pgz h SER 46 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pgz h SER 46 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2pgz h SER 46 CO 0.00 0.37 0.00 0.35 -0.87 0.00 0.00 176.83 176.68 2pgz n THR 47 N -3.08 0.00 -3.61 2.95 -2.24 -1.18 -5.04 114.28 102.09 2pgz n THR 47 Ca -0.00 -0.39 -0.23 0.00 -2.27 0.00 0.00 64.05 61.16 2pgz n THR 47 Cb 0.70 1.06 0.04 0.00 -2.10 0.00 0.00 70.33 70.03 2pgz n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2pgz n ASN 48 N -0.58 -3.17 -4.21 3.42 3.02 0.08 -4.93 115.26 108.89 2pgz n ASN 48 Ca 0.00 -0.84 -0.28 0.00 -0.03 0.00 0.00 54.58 53.43 2pgz n ASN 48 Cb 0.01 -4.13 -0.16 0.00 -0.61 0.00 0.00 39.78 34.90 2pgz n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2pgz s GLU 49 N -5.68 1.89 0.04 3.52 2.02 -1.14 -1.27 118.70 118.08 2pgz s GLU 49 Ca 0.20 -0.74 0.07 0.00 0.02 0.00 0.00 54.97 54.52 2pgz s GLU 49 Cb -0.05 -1.73 -0.02 0.00 0.10 0.00 0.00 34.13 32.43 2pgz s GLU 49 CO 0.81 0.38 -0.21 0.08 0.02 0.00 0.00 175.26 176.34 2pgz s VAL 50 N -0.28 1.71 -0.20 2.63 1.01 -0.60 -0.61 120.40 124.06 2pgz s VAL 50 Ca 0.03 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 60.79 2pgz s VAL 50 Cb -0.10 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 2pgz s VAL 50 CO 0.01 0.25 -0.06 -1.81 0.00 0.00 0.00 175.10 173.49 2pgz s ASP 51 N -1.11 4.22 0.12 3.32 1.11 -0.02 -1.51 116.67 122.80 2pgz s ASP 51 Ca 0.08 -0.39 0.07 0.00 0.18 0.00 0.00 52.55 52.49 2pgz s ASP 51 Cb -0.09 -1.71 -0.04 0.00 1.07 0.00 0.00 42.92 42.15 2pgz s ASP 51 CO 0.01 0.01 -0.05 -0.76 1.18 0.00 0.00 175.17 175.57 2pgz s LEU 52 N 1.29 3.22 -0.13 1.23 1.43 -0.17 -0.75 118.68 124.80 2pgz s LEU 52 Ca 0.03 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 2pgz s LEU 52 Cb -0.14 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.13 2pgz s LEU 52 CO -0.03 0.15 -0.18 -0.69 0.23 0.00 0.00 176.35 175.83 2pgz s VAL 53 N -1.37 1.78 0.17 -1.59 1.01 0.12 -0.88 120.40 119.64 2pgz s VAL 53 Ca 0.24 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 2pgz s VAL 53 Cb -0.11 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 2pgz s VAL 53 CO 0.16 0.50 0.31 -0.72 0.00 0.00 0.00 175.10 175.35 2pgz s TYR 54 N 0.94 0.32 -0.17 5.22 -0.85 -0.83 -0.72 117.35 121.27 2pgz s TYR 54 Ca -0.06 -0.69 -0.05 0.00 -0.52 0.00 0.00 57.07 55.76 2pgz s TYR 54 Cb -0.15 0.00 -0.03 0.00 0.38 0.00 0.00 41.96 42.16 2pgz s TYR 54 CO -0.03 -0.74 -0.01 0.71 -1.52 0.00 0.00 175.55 173.96 2pgz s TYR 55 N -3.95 3.07 -0.36 -3.49 4.12 -0.25 -0.95 117.35 115.53 2pgz s TYR 55 Ca 0.16 -0.23 -0.11 0.00 0.02 0.00 0.00 57.07 56.91 2pgz s TYR 55 Cb 0.03 -2.00 0.02 0.00 -1.52 0.00 0.00 41.96 38.49 2pgz s TYR 55 CO -0.01 -0.01 0.20 -2.00 0.02 0.00 0.00 175.55 173.74 2pgz s GLU 56 N 0.43 2.90 -0.00 -0.62 2.12 -0.27 -1.13 118.70 122.12 2pgz s GLU 56 Ca -0.02 -1.03 -0.30 0.00 0.36 0.00 0.00 54.97 53.98 2pgz s GLU 56 Cb -0.14 -3.70 -0.03 0.00 0.26 0.00 0.00 34.13 30.52 2pgz s GLU 56 CO 0.02 -0.65 1.04 -1.14 -0.54 0.00 0.00 175.26 173.99 2pgz s GLN 57 N 1.56 4.51 -0.07 4.30 0.74 0.44 -3.12 119.66 128.02 2pgz s GLN 57 Ca 0.02 1.50 0.03 0.00 0.05 0.00 0.00 55.36 56.97 2pgz s GLN 57 Cb -0.19 -3.45 0.00 0.00 1.10 0.00 0.00 33.01 30.48 2pgz s GLN 57 CO 0.06 -0.14 -0.17 -0.65 -0.55 0.00 0.00 175.29 173.85 2pgz s GLN 58 N 1.18 2.05 -0.01 1.67 -0.21 0.04 -1.92 119.66 122.45 2pgz s GLN 58 Ca 0.53 -0.59 0.02 0.00 0.02 0.00 0.00 55.36 55.34 2pgz s GLN 58 Cb -0.23 -1.67 -0.00 0.00 1.00 0.00 0.00 33.01 32.11 2pgz s GLN 58 CO 0.27 0.14 -0.06 1.03 -2.12 0.00 0.00 175.29 174.55 2pgz s ARG 59 N 0.36 0.57 0.32 2.91 0.52 -0.49 -1.07 118.95 122.07 2pgz s ARG 59 Ca -0.12 -0.22 -0.11 0.00 -0.52 0.00 0.00 55.73 54.76 2pgz s ARG 59 Cb -0.15 -0.56 0.02 0.00 0.52 0.00 0.00 34.95 34.79 2pgz s ARG 59 CO 0.04 0.12 0.60 1.67 0.02 0.00 0.00 175.30 177.75 2pgz s TRP 60 N -0.03 0.44 -0.08 -0.53 -2.14 -1.03 -0.68 118.94 114.90 2pgz s TRP 60 Ca 0.01 -0.87 -0.04 0.00 2.66 0.00 0.00 56.10 57.86 2pgz s TRP 60 Cb -0.04 0.36 0.04 0.00 -3.10 0.00 0.00 33.47 30.74 2pgz s TRP 60 CO -0.00 -1.25 0.17 0.21 -2.66 0.00 0.00 176.95 173.43 2pgz s LYS 61 N -3.18 0.12 -0.09 3.25 2.20 -1.26 -0.23 119.74 120.55 2pgz s LYS 61 Ca 0.21 0.43 0.03 0.00 -0.36 0.00 0.00 55.97 56.29 2pgz s LYS 61 Cb -0.03 -0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.13 2pgz s LYS 61 CO 0.13 -0.18 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.24 2pgz s LEU 62 N 1.28 1.93 0.42 5.43 1.43 -0.30 -4.95 118.68 123.93 2pgz s LEU 62 Ca -0.08 -0.47 0.11 0.00 -1.03 0.00 0.00 54.13 52.66 2pgz s LEU 62 Cb -0.11 -1.20 0.95 0.00 0.03 0.00 0.00 46.19 45.86 2pgz s LEU 62 CO -0.07 0.12 2.01 0.78 0.23 0.00 0.00 176.35 179.42 2pgz h ASN 63 N 6.79 0.42 0.54 2.29 4.21 -1.88 -1.92 115.58 126.04 2pgz h ASN 63 Ca -0.23 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.28 2pgz h ASN 63 Cb 1.22 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 38.33 2pgz h ASN 63 CO 0.47 0.28 0.00 0.77 -1.29 0.00 0.00 177.43 177.66 2pgz h SER 64 N 0.48 0.00 -0.45 5.81 4.64 -1.95 -2.37 113.55 119.72 2pgz h SER 64 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2pgz h SER 64 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2pgz h SER 64 CO -0.06 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.08 2pgz n LEU 65 N -2.43 3.56 -4.78 5.97 4.77 -0.72 -4.98 117.00 118.39 2pgz n LEU 65 Ca 0.01 -1.60 -0.37 0.00 -0.03 0.00 0.00 56.01 54.02 2pgz n LEU 65 Cb 0.18 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 2pgz n LEU 65 CO 0.18 0.79 0.66 -0.04 -1.33 0.00 0.00 177.39 177.65 2pgz s MET 66 N -1.39 4.57 0.12 3.23 -1.94 -0.89 -4.01 119.30 118.99 2pgz s MET 66 Ca 0.40 1.36 -0.10 0.00 -1.71 0.00 0.00 55.69 55.64 2pgz s MET 66 Cb 0.23 -2.82 0.00 0.00 2.01 0.00 0.00 34.83 34.26 2pgz s MET 66 CO 0.32 0.26 0.26 1.67 -0.01 0.00 0.00 175.02 177.53 2pgz s TRP 67 N -1.59 0.13 -0.39 -0.03 -2.14 -0.38 -4.96 118.94 109.59 2pgz s TRP 67 Ca 0.50 -0.52 -0.19 0.00 2.66 0.00 0.00 56.10 58.54 2pgz s TRP 67 Cb -0.19 0.02 0.01 0.00 -3.10 0.00 0.00 33.47 30.20 2pgz s TRP 67 CO 0.25 -0.63 0.57 0.34 -2.66 0.00 0.00 176.95 174.82 2pgz s ASP 68 N -2.88 6.32 0.45 -2.66 2.15 -1.26 -4.65 116.67 114.14 2pgz s ASP 68 Ca 0.08 -0.20 0.22 0.00 0.43 0.00 0.00 52.55 53.08 2pgz s ASP 68 Cb 0.04 -2.29 1.22 0.00 -0.30 0.00 0.00 42.92 41.58 2pgz s ASP 68 CO -0.08 -0.63 1.85 -0.65 -0.17 0.00 0.00 175.17 175.49 2pgz h PRO 69 N 8.66 0.27 0.00 4.34 0.11 -1.93 -0.06 132.00 143.38 2pgz h PRO 69 Ca -0.26 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 2pgz h PRO 69 Cb 1.11 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2pgz h PRO 69 CO 0.83 0.18 -0.04 -0.91 -0.21 0.00 0.00 178.00 177.86 2pgz h ASN 70 N 0.28 0.00 0.68 -2.05 2.35 -1.92 0.38 115.58 115.30 2pgz h ASN 70 Ca 0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 2pgz h ASN 70 Cb 1.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.80 2pgz h ASN 70 CO -0.15 0.04 -0.21 -0.62 -1.65 0.00 0.00 177.43 174.84 2pgz n GLU 71 N -3.47 0.14 -2.69 0.81 1.02 -0.04 -4.31 120.64 112.09 2pgz n GLU 71 Ca -0.02 -0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 56.94 2pgz n GLU 71 Cb 0.14 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.08 2pgz n GLU 71 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2pgz n TYR 72 N -1.39 1.39 -2.46 -0.32 4.02 -0.58 -4.97 117.16 112.85 2pgz n TYR 72 Ca 0.08 -2.95 -0.18 0.00 -0.01 0.00 0.00 57.90 54.84 2pgz n TYR 72 Cb 0.33 -0.35 -0.01 0.00 -0.02 0.00 0.00 39.34 39.29 2pgz n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pgz n GLY 73 N -0.08 -0.50 2.43 2.72 0.00 -1.19 -2.00 105.19 106.56 2pgz n GLY 73 Ca 0.15 0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 2pgz n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pgz n ASN 74 N -1.97 -5.08 -4.72 1.61 3.02 0.12 -4.99 115.26 103.26 2pgz n ASN 74 Ca -0.20 0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 2pgz n ASN 74 Cb 0.65 -4.13 -0.03 0.00 -0.61 0.00 0.00 39.78 35.67 2pgz n ASN 74 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pgz s ILE 75 N -2.74 2.87 -0.05 2.41 1.01 -0.85 -4.91 121.20 118.94 2pgz s ILE 75 Ca 0.00 0.63 0.10 0.00 0.00 0.00 0.00 60.65 61.38 2pgz s ILE 75 Cb 0.00 -3.40 -0.16 0.00 0.01 0.00 0.00 42.46 38.91 2pgz s ILE 75 CO 0.00 0.05 0.24 0.35 0.00 0.00 0.00 174.94 175.58 2pgz n THR 76 N 3.91 0.00 -3.46 2.92 -2.24 -1.26 -4.32 114.28 109.84 2pgz n THR 76 Ca 0.13 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 2pgz n THR 76 Cb 0.40 0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 2pgz n THR 76 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2pgz s ASP 77 N -3.08 -0.50 0.05 3.42 1.47 -1.26 -0.49 116.67 116.28 2pgz s ASP 77 Ca -0.03 0.06 -0.10 0.00 1.18 0.00 0.00 52.55 53.66 2pgz s ASP 77 Cb 0.07 0.52 0.00 0.00 -0.34 0.00 0.00 42.92 43.17 2pgz s ASP 77 CO 0.43 -0.82 0.21 0.72 0.68 0.00 0.00 175.17 176.39 2pgz s PHE 78 N -3.31 0.06 -0.00 2.11 -0.12 0.10 -5.00 117.98 111.82 2pgz s PHE 78 Ca 0.01 -0.33 -0.16 0.00 -0.05 0.00 0.00 56.93 56.41 2pgz s PHE 78 Cb -0.01 -0.02 -0.06 0.00 -0.63 0.00 0.00 43.02 42.31 2pgz s PHE 78 CO -0.10 -0.47 0.44 1.03 -0.05 0.00 0.00 175.22 176.07 2pgz s ARG 79 N -2.93 4.02 0.03 1.99 3.00 -1.26 -0.85 118.95 122.95 2pgz s ARG 79 Ca -0.02 0.47 -0.12 0.00 0.00 0.00 0.00 55.73 56.06 2pgz s ARG 79 Cb 0.01 -3.25 0.01 0.00 0.00 0.00 0.00 34.95 31.72 2pgz s ARG 79 CO -0.06 0.61 0.26 -0.08 0.00 0.00 0.00 175.30 176.03 2pgz s THR 80 N -0.85 0.09 0.27 0.02 -1.32 -0.16 -4.98 115.64 108.71 2pgz s THR 80 Ca 0.25 -0.74 -0.30 0.00 -1.21 0.00 0.00 61.69 59.69 2pgz s THR 80 Cb -0.17 -0.87 -0.13 0.00 -1.51 0.00 0.00 72.50 69.81 2pgz s THR 80 CO 0.14 -0.41 1.31 -0.24 -2.21 0.00 0.00 174.62 173.21 2pgz n SER 81 N 0.72 2.51 0.32 8.08 2.88 -1.26 -0.48 113.62 126.40 2pgz n SER 81 Ca -0.19 1.17 0.20 0.00 -1.33 0.00 0.00 58.87 58.72 2pgz n SER 81 Cb 0.59 -1.42 1.11 0.00 -0.75 0.00 0.00 64.21 63.74 2pgz n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pgz h ALA 82 N 3.37 1.15 0.00 -1.46 0.00 -1.41 -0.67 119.26 120.25 2pgz h ALA 82 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2pgz h ALA 82 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2pgz h ALA 82 CO 0.69 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.95 2pgz h ALA 83 N 2.00 1.00 0.00 0.00 0.00 -1.89 -3.11 119.26 117.26 2pgz h ALA 83 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pgz h ALA 83 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2pgz h ALA 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 2pgz n ASP 84 N -2.98 0.76 -4.22 0.00 8.00 -0.26 -4.89 116.55 112.96 2pgz n ASP 84 Ca 0.01 0.59 -0.13 0.00 0.71 0.00 0.00 54.79 55.97 2pgz n ASP 84 Cb 0.31 -0.79 -0.10 0.00 -0.02 0.00 0.00 41.12 40.52 2pgz n ASP 84 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2pgz s ILE 85 N -3.14 0.80 0.34 0.53 -4.36 -1.18 -5.02 121.20 109.18 2pgz s ILE 85 Ca 0.10 -1.98 -0.28 0.00 -0.26 0.00 0.00 60.65 58.22 2pgz s ILE 85 Cb 0.12 -1.91 -0.10 0.00 1.25 0.00 0.00 42.46 41.82 2pgz s ILE 85 CO 0.56 -0.67 1.26 0.86 0.24 0.00 0.00 174.94 177.18 2pgz s TRP 86 N -3.57 3.11 0.06 1.37 -0.00 -1.26 -4.96 118.94 113.70 2pgz s TRP 86 Ca 0.18 1.48 0.04 0.00 -0.00 0.00 0.00 56.10 57.80 2pgz s TRP 86 Cb 0.05 -3.58 -0.03 0.00 -0.00 0.00 0.00 33.47 29.91 2pgz s TRP 86 CO 0.00 -1.60 -0.11 0.95 -0.00 0.00 0.00 176.95 176.19 2pgz s THR 87 N -1.19 0.80 0.45 5.86 -4.23 -1.26 -5.11 115.64 110.96 2pgz s THR 87 Ca 0.50 -1.19 -0.23 0.00 -1.18 0.00 0.00 61.69 59.59 2pgz s THR 87 Cb -0.37 -0.82 -0.08 0.00 1.34 0.00 0.00 72.50 72.57 2pgz s THR 87 CO 0.49 -0.31 1.13 -2.16 -0.54 0.00 0.00 174.62 173.23 2pgz s PRO 88 N -1.66 3.86 -0.25 3.99 0.04 -1.26 -4.92 135.00 134.79 2pgz s PRO 88 Ca -0.06 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 2pgz s PRO 88 Cb -0.10 -2.43 -0.07 0.00 0.04 0.00 0.00 34.50 31.95 2pgz s PRO 88 CO 0.01 -0.45 3.07 -0.40 0.04 0.00 0.00 177.00 179.27 2pgz n ASP 89 N -0.40 5.94 -4.68 6.66 5.75 -1.26 -4.94 116.55 123.62 2pgz n ASP 89 Ca 0.07 -2.88 -0.42 0.00 -0.01 0.00 0.00 54.79 51.54 2pgz n ASP 89 Cb 0.49 -1.30 -0.03 0.00 -1.03 0.00 0.00 41.12 39.25 2pgz n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2pgz s ILE 90 N -0.87 3.65 -0.00 2.12 -1.09 -1.26 -2.76 121.20 120.98 2pgz s ILE 90 Ca 0.59 0.98 0.02 0.00 -2.23 0.00 0.00 60.65 60.01 2pgz s ILE 90 Cb 0.34 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.58 2pgz s ILE 90 CO -0.12 -0.03 -0.05 -0.89 -1.23 0.00 0.00 174.94 172.62 2pgz s THR 91 N 2.83 0.42 0.20 2.92 2.01 -0.10 -4.89 115.64 119.03 2pgz s THR 91 Ca 0.66 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 2pgz s THR 91 Cb -0.32 -0.37 -0.09 0.00 0.01 0.00 0.00 72.50 71.74 2pgz s THR 91 CO 0.27 0.08 1.27 0.00 -0.69 0.00 0.00 174.62 175.55 2pgz s ALA 92 N -0.22 3.50 -0.96 7.40 0.00 -1.26 -1.68 121.76 128.53 2pgz s ALA 92 Ca 0.01 1.06 0.26 0.00 0.00 0.00 0.00 51.96 53.29 2pgz s ALA 92 Cb -0.03 -3.46 0.68 0.00 0.00 0.00 0.00 23.12 20.31 2pgz s ALA 92 CO -0.00 -0.49 1.54 0.66 0.00 0.00 0.00 175.76 177.47 2pgz n TYR 93 N 2.50 0.06 -2.44 0.00 4.01 0.35 -4.19 117.16 117.46 2pgz n TYR 93 Ca 0.05 0.02 0.02 0.00 -0.16 0.00 0.00 57.90 57.83 2pgz n TYR 93 Cb 0.43 -0.36 0.05 0.00 -0.31 0.00 0.00 39.34 39.15 2pgz n TYR 93 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2pgz n SER 94 N -1.56 1.35 -4.75 7.72 3.41 -1.26 -5.01 113.62 113.51 2pgz n SER 94 Ca 0.06 -2.30 -0.31 0.00 -0.26 0.00 0.00 58.87 56.05 2pgz n SER 94 Cb 0.35 -0.37 0.10 0.00 -0.26 0.00 0.00 64.21 64.03 2pgz n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2pgz s SER 95 N -2.58 4.35 0.00 4.04 1.04 -1.26 -1.64 113.70 117.66 2pgz s SER 95 Ca 0.34 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.67 2pgz s SER 95 Cb 0.37 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.96 2pgz s SER 95 CO -0.12 -2.14 0.25 0.35 0.98 0.00 0.00 173.24 172.56 2pgz n THR 96 N -3.48 0.00 -3.82 2.02 -2.24 -0.28 -4.81 114.28 101.67 2pgz n THR 96 Ca 0.10 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 2pgz n THR 96 Cb 0.53 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.74 2pgz n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2pgz s ARG 97 N -0.39 0.80 0.40 -0.78 0.52 -1.25 -5.05 118.95 113.19 2pgz s ARG 97 Ca 0.00 -0.73 -0.26 0.00 -0.52 0.00 0.00 55.73 54.22 2pgz s ARG 97 Cb 0.00 0.33 -0.10 0.00 0.52 0.00 0.00 34.95 35.70 2pgz s ARG 97 CO 0.00 -0.25 1.27 -2.30 0.02 0.00 0.00 175.30 174.04 2pgz n PRO 98 N 0.33 1.97 -1.77 3.54 -0.02 -1.26 -4.66 135.00 133.13 2pgz n PRO 98 Ca -0.17 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 2pgz n PRO 98 Cb 0.61 -2.36 0.01 0.00 -0.02 0.00 0.00 33.50 31.73 2pgz n PRO 98 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pgz n VAL 99 N -0.08 2.34 -4.00 -1.45 0.31 -1.26 -4.85 118.33 109.34 2pgz n VAL 99 Ca 0.06 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.54 2pgz n VAL 99 Cb 0.39 -1.94 -0.11 0.00 -0.91 0.00 0.00 33.84 31.27 2pgz n VAL 99 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2pgz s GLN 100 N -2.26 3.83 -0.11 5.55 -0.21 -0.68 -4.98 119.66 120.81 2pgz s GLN 100 Ca 0.56 -0.41 -0.22 0.00 0.02 0.00 0.00 55.36 55.31 2pgz s GLN 100 Cb -0.46 -3.20 -0.03 0.00 1.00 0.00 0.00 33.01 30.31 2pgz s GLN 100 CO 0.61 0.13 0.64 0.08 -2.12 0.00 0.00 175.29 174.63 2pgz s VAL 101 N 0.75 5.07 -1.07 1.09 1.01 -1.26 -0.98 120.40 125.01 2pgz s VAL 101 Ca 0.03 1.29 0.13 0.00 0.00 0.00 0.00 61.98 63.42 2pgz s VAL 101 Cb -0.14 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 2pgz s VAL 101 CO 0.02 0.23 0.69 0.18 0.00 0.00 0.00 175.10 176.23 2pgz n LEU 102 N 4.04 1.26 -4.31 3.92 4.77 0.11 -4.98 117.00 121.83 2pgz n LEU 102 Ca -0.02 -0.72 -0.17 0.00 -0.03 0.00 0.00 56.01 55.07 2pgz n LEU 102 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2pgz n LEU 102 CO 0.46 0.25 -0.42 -0.94 -1.33 0.00 0.00 177.39 175.41 2pgz s SER 103 N -1.68 2.21 0.37 -1.43 1.04 -1.25 -4.93 113.70 108.03 2pgz s SER 103 Ca 0.10 -1.04 -0.27 0.00 0.48 0.00 0.00 55.95 55.21 2pgz s SER 103 Cb 0.10 -0.08 -0.11 0.00 0.10 0.00 0.00 66.02 66.03 2pgz s SER 103 CO 0.35 -0.27 1.37 -2.65 0.98 0.00 0.00 173.24 173.02 2pgz n PRO 104 N -0.31 2.31 -2.92 4.02 -0.02 -1.26 -4.84 135.00 131.97 2pgz n PRO 104 Ca -0.09 0.81 -0.44 0.00 -2.02 0.00 0.00 63.50 61.77 2pgz n PRO 104 Cb 0.61 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2pgz n PRO 104 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2pgz n GLN 105 N 0.40 3.45 -4.11 -0.52 1.13 -1.26 -4.91 117.38 111.57 2pgz n GLN 105 Ca 0.04 -3.90 -0.16 0.00 -1.94 0.00 0.00 57.00 51.03 2pgz n GLN 105 Cb 0.38 -2.95 -0.15 0.00 0.11 0.00 0.00 30.24 27.63 2pgz n GLN 105 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2pgz s ILE 106 N 0.95 0.37 0.34 5.09 1.01 -1.26 -1.03 121.20 126.67 2pgz s ILE 106 Ca 0.41 -0.14 0.09 0.00 0.00 0.00 0.00 60.65 61.00 2pgz s ILE 106 Cb -0.02 -0.35 -0.07 0.00 0.01 0.00 0.00 42.46 42.03 2pgz s ILE 106 CO -0.00 0.13 -0.08 0.00 0.00 0.00 0.00 174.94 174.99 2pgz s ALA 107 N 0.25 2.87 -0.16 9.38 0.00 0.37 -4.63 121.76 129.84 2pgz s ALA 107 Ca -0.02 -2.08 -0.01 0.00 0.00 0.00 0.00 51.96 49.84 2pgz s ALA 107 Cb -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 2pgz s ALA 107 CO -0.00 0.03 -0.12 0.08 0.00 0.00 0.00 175.76 175.74 2pgz s VAL 108 N -2.69 2.92 -0.13 0.00 1.01 -0.39 -0.99 120.40 120.13 2pgz s VAL 108 Ca 0.32 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 2pgz s VAL 108 Cb 0.03 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2pgz s VAL 108 CO 0.16 0.50 -0.05 -0.69 0.00 0.00 0.00 175.10 175.02 2pgz s VAL 109 N 0.81 3.77 0.17 2.92 1.01 -0.03 -1.14 120.40 127.91 2pgz s VAL 109 Ca -0.04 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.59 2pgz s VAL 109 Cb -0.15 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2pgz s VAL 109 CO 0.01 0.53 0.01 -0.89 0.00 0.00 0.00 175.10 174.76 2pgz s THR 110 N -0.00 3.81 0.64 3.92 2.01 -0.13 -0.72 115.64 125.17 2pgz s THR 110 Ca 0.00 -1.38 0.35 0.00 0.31 0.00 0.00 61.69 60.97 2pgz s THR 110 Cb -0.13 -2.92 0.37 0.00 0.01 0.00 0.00 72.50 69.83 2pgz s THR 110 CO 0.03 -0.11 2.15 1.12 -0.69 0.00 0.00 174.62 177.12 2pgz h HIS 111 N 2.68 0.00 -0.01 4.92 2.07 -1.09 0.80 115.15 124.52 2pgz h HIS 111 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2pgz h HIS 111 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 2pgz h HIS 111 CO 0.62 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.08 2pgz n ASP 112 N -3.25 0.42 0.00 3.10 5.75 -1.26 -1.24 116.55 120.07 2pgz n ASP 112 Ca -0.01 -1.20 0.00 0.00 -0.01 0.00 0.00 54.79 53.57 2pgz n ASP 112 Cb 0.25 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 2pgz n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pgz n GLY 113 N 1.02 0.71 3.80 6.12 0.00 0.27 -4.69 105.19 112.42 2pgz n GLY 113 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2pgz n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pgz s SER 114 N -2.70 7.12 -0.03 1.61 1.04 -1.22 -1.15 113.70 118.37 2pgz s SER 114 Ca 0.00 1.80 0.05 0.00 0.48 0.00 0.00 55.95 58.28 2pgz s SER 114 Cb 0.00 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.55 2pgz s SER 114 CO 0.00 -0.23 -0.18 -0.69 0.98 0.00 0.00 173.24 173.12 2pgz s VAL 115 N -1.84 1.50 -0.08 5.02 1.01 0.67 -0.96 120.40 125.72 2pgz s VAL 115 Ca 0.56 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.78 2pgz s VAL 115 Cb -0.15 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.97 2pgz s VAL 115 CO 0.20 0.43 -0.16 -0.32 0.00 0.00 0.00 175.10 175.24 2pgz s MET 116 N -0.18 2.18 -0.05 2.72 1.75 -0.29 -2.45 119.30 122.98 2pgz s MET 116 Ca 0.01 -0.58 -0.00 0.00 -1.25 0.00 0.00 55.69 53.87 2pgz s MET 116 Cb -0.10 -1.75 0.03 0.00 2.84 0.00 0.00 34.83 35.85 2pgz s MET 116 CO 0.01 0.06 -0.01 0.12 -0.65 0.00 0.00 175.02 174.55 2pgz s PHE 117 N 0.61 0.52 -0.60 4.11 5.36 -0.24 -1.27 117.98 126.48 2pgz s PHE 117 Ca -0.15 -0.09 0.05 0.00 -0.96 0.00 0.00 56.93 55.78 2pgz s PHE 117 Cb -0.16 -0.60 0.18 0.00 -0.34 0.00 0.00 43.02 42.09 2pgz s PHE 117 CO 0.05 -0.21 0.48 -0.89 -1.46 0.00 0.00 175.22 173.18 2pgz n ILE 118 N 4.51 0.77 -2.33 3.12 2.08 -1.26 -0.78 119.36 125.46 2pgz n ILE 118 Ca -0.18 -4.44 -0.42 0.00 0.56 0.00 0.00 62.75 58.26 2pgz n ILE 118 Cb 0.50 -2.01 -0.03 0.00 -0.75 0.00 0.00 39.64 37.35 2pgz n ILE 118 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2pgz s PRO 119 N -1.11 4.38 0.04 0.38 0.04 -1.18 -4.82 135.00 132.74 2pgz s PRO 119 Ca 0.29 1.87 -0.20 0.00 0.04 0.00 0.00 61.00 63.00 2pgz s PRO 119 Cb 0.01 -3.35 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 2pgz s PRO 119 CO -0.16 -0.35 0.60 0.00 0.04 0.00 0.00 177.00 177.13 2pgz s ALA 120 N 1.26 3.53 0.02 8.56 0.00 -1.26 -1.12 121.76 132.75 2pgz s ALA 120 Ca 0.61 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.64 2pgz s ALA 120 Cb -0.31 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 2pgz s ALA 120 CO 0.29 0.28 -0.05 -0.65 0.00 0.00 0.00 175.76 175.62 2pgz s GLN 121 N -0.67 0.39 -0.22 0.00 -0.21 -0.13 -0.71 119.66 118.12 2pgz s GLN 121 Ca 0.31 -0.49 -0.08 0.00 0.02 0.00 0.00 55.36 55.12 2pgz s GLN 121 Cb -0.19 -0.21 -0.04 0.00 1.00 0.00 0.00 33.01 33.57 2pgz s GLN 121 CO 0.19 0.04 0.09 0.50 -2.12 0.00 0.00 175.29 173.99 2pgz s ARG 122 N -0.98 3.91 -0.10 2.91 3.52 -0.15 -1.97 118.95 126.08 2pgz s ARG 122 Ca -0.07 -0.36 0.03 0.00 -0.13 0.00 0.00 55.73 55.20 2pgz s ARG 122 Cb -0.07 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 29.98 2pgz s ARG 122 CO -0.00 0.07 -0.19 -1.17 -0.81 0.00 0.00 175.30 173.19 2pgz s LEU 123 N 0.96 1.92 -0.16 -0.88 2.96 -0.06 -1.68 118.68 121.74 2pgz s LEU 123 Ca 0.05 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.36 2pgz s LEU 123 Cb -0.14 -1.22 -0.05 0.00 0.50 0.00 0.00 46.19 45.28 2pgz s LEU 123 CO 0.03 0.09 0.22 -0.44 -1.32 0.00 0.00 176.35 174.93 2pgz s SER 124 N 0.60 6.37 0.19 3.68 0.01 -1.26 -1.00 113.70 122.29 2pgz s SER 124 Ca -0.14 0.43 -0.04 0.00 1.31 0.00 0.00 55.95 57.51 2pgz s SER 124 Cb -0.17 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 2pgz s SER 124 CO 0.04 0.18 0.19 0.72 0.41 0.00 0.00 173.24 174.78 2pgz s PHE 125 N 0.15 0.88 -0.22 2.43 -0.12 -0.57 -1.13 117.98 119.41 2pgz s PHE 125 Ca 0.14 -1.17 -0.29 0.00 -0.05 0.00 0.00 56.93 55.55 2pgz s PHE 125 Cb -0.12 -0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 41.89 2pgz s PHE 125 CO 0.02 -0.68 1.37 -1.64 -0.05 0.00 0.00 175.22 174.24 2pgz s MET 126 N -4.09 4.03 -0.27 1.99 -1.94 -0.65 -1.55 119.30 116.82 2pgz s MET 126 Ca 0.31 1.55 -0.11 0.00 -1.71 0.00 0.00 55.69 55.72 2pgz s MET 126 Cb 0.05 -3.87 0.10 0.00 2.01 0.00 0.00 34.83 33.12 2pgz s MET 126 CO 0.08 -0.98 0.61 0.00 -0.01 0.00 0.00 175.02 174.73 2pgz s ASP 128 N 2.32 6.35 -0.00 0.00 -1.08 -1.26 -3.18 116.67 119.81 2pgz s ASP 128 Ca -0.07 -0.18 0.04 0.00 -0.52 0.00 0.00 52.55 51.81 2pgz s ASP 128 Cb -0.09 -2.32 0.11 0.00 -1.46 0.00 0.00 42.92 39.16 2pgz s ASP 128 CO -0.18 -0.71 1.05 -0.81 0.52 0.00 0.00 175.17 175.03 2pgz n PRO 129 N 6.18 1.33 -1.64 4.34 -0.04 -1.26 -4.68 135.00 139.24 2pgz n PRO 129 Ca -0.02 -0.46 -0.49 0.00 -0.04 0.00 0.00 63.50 62.49 2pgz n PRO 129 Cb 0.48 -1.16 -0.05 0.00 -0.04 0.00 0.00 33.50 32.73 2pgz n PRO 129 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2pgz n THR 130 N -0.11 0.05 -0.21 0.52 -1.04 -1.26 -1.15 114.28 111.08 2pgz n THR 130 Ca 0.04 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2pgz n THR 130 Cb 0.14 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 2pgz n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2pgz n GLY 131 N 3.12 0.67 0.27 3.41 0.00 -1.26 -4.45 105.19 106.94 2pgz n GLY 131 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 2pgz n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2pgz h VAL 132 N 0.00 0.82 -0.45 1.61 3.04 -1.33 -1.62 116.25 118.31 2pgz h VAL 132 Ca 0.00 -0.06 -0.14 0.00 -1.01 0.00 0.00 66.70 65.50 2pgz h VAL 132 Cb 0.00 1.03 -0.08 0.00 -2.01 0.00 0.00 31.29 30.23 2pgz h VAL 132 CO 0.00 0.01 0.17 -0.90 -1.01 0.00 0.00 177.57 175.85 2pgz n ASP 133 N -4.24 3.67 -4.38 3.17 5.75 -1.26 -0.59 116.55 118.66 2pgz n ASP 133 Ca -0.03 -2.73 -0.19 0.00 -0.01 0.00 0.00 54.79 51.83 2pgz n ASP 133 Cb 0.10 -0.65 -0.10 0.00 -1.03 0.00 0.00 41.12 39.44 2pgz n ASP 133 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2pgz s SER 134 N -0.42 2.26 0.24 -1.12 1.04 -0.62 -5.01 113.70 110.07 2pgz s SER 134 Ca 0.33 -1.22 -0.05 0.00 0.48 0.00 0.00 55.95 55.49 2pgz s SER 134 Cb 0.26 -0.07 0.39 0.00 0.10 0.00 0.00 66.02 66.71 2pgz s SER 134 CO 0.08 -0.45 1.77 -0.08 0.98 0.00 0.00 173.24 175.54 2pgz h GLU 135 N 2.36 0.57 0.00 4.02 4.81 -1.91 -2.33 114.58 122.10 2pgz h GLU 135 Ca -0.39 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 2pgz h GLU 135 Cb 1.23 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 2pgz h GLU 135 CO 0.66 0.38 -0.16 1.05 -0.73 0.00 0.00 179.01 180.20 2pgz h GLU 136 N 0.59 0.00 0.00 1.92 9.09 -1.96 -3.50 114.58 120.72 2pgz h GLU 136 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.79 2pgz h GLU 136 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 2pgz h GLU 136 CO -0.31 0.16 0.00 0.41 0.05 0.00 0.00 179.01 179.33 2pgz n GLY 137 N 0.80 -1.61 3.71 1.06 0.00 -0.88 -4.83 105.19 103.44 2pgz n GLY 137 Ca 0.02 -1.28 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 2pgz n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pgz s ALA 138 N -1.31 3.33 -0.05 4.61 0.00 0.86 -4.34 121.76 124.85 2pgz s ALA 138 Ca 0.00 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 50.63 2pgz s ALA 138 Cb 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 22.03 2pgz s ALA 138 CO 0.00 0.45 -0.11 0.99 0.00 0.00 0.00 175.76 177.09 2pgz s THR 139 N -1.82 0.99 0.17 0.00 2.01 -1.26 -1.21 115.64 114.52 2pgz s THR 139 Ca 0.29 -0.42 -0.00 0.00 0.31 0.00 0.00 61.69 61.87 2pgz s THR 139 Cb -0.09 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 2pgz s THR 139 CO 0.20 0.32 0.07 0.00 -0.69 0.00 0.00 174.62 174.52 2pgz s ALA 141 N -3.96 -1.06 -0.12 0.00 0.00 -1.26 -0.83 121.76 114.52 2pgz s ALA 141 Ca 0.29 0.59 -0.07 0.00 0.00 0.00 0.00 51.96 52.76 2pgz s ALA 141 Cb 0.07 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.32 2pgz s ALA 141 CO 0.06 -0.31 0.30 0.54 0.00 0.00 0.00 175.76 176.35 2pgz s VAL 142 N -1.40 -0.03 0.08 0.00 0.11 -0.41 -4.90 120.40 113.85 2pgz s VAL 142 Ca -0.12 0.10 -0.12 0.00 -2.93 0.00 0.00 61.98 58.91 2pgz s VAL 142 Cb -0.03 -0.45 -0.06 0.00 -1.53 0.00 0.00 36.38 34.31 2pgz s VAL 142 CO 0.05 0.04 0.44 -0.54 -3.33 0.00 0.00 175.10 171.76 2pgz s LYS 143 N 1.04 3.84 -0.02 1.54 1.02 -1.26 -0.64 119.74 125.25 2pgz s LYS 143 Ca -0.07 0.30 0.05 0.00 0.02 0.00 0.00 55.97 56.27 2pgz s LYS 143 Cb -0.08 -3.02 -0.01 0.00 -0.52 0.00 0.00 37.83 34.20 2pgz s LYS 143 CO -0.08 0.56 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.68 2pgz s PHE 144 N -1.36 1.67 -0.01 3.18 0.08 -0.14 -0.49 117.98 120.90 2pgz s PHE 144 Ca 0.33 -0.36 -0.29 0.00 0.12 0.00 0.00 56.93 56.73 2pgz s PHE 144 Cb -0.15 -1.09 0.11 0.00 -0.57 0.00 0.00 43.02 41.32 2pgz s PHE 144 CO 0.18 -0.06 1.28 0.20 -0.10 0.00 0.00 175.22 176.72 2pgz s GLY 145 N -0.31 -0.23 0.45 4.36 0.00 -0.67 -0.57 107.32 110.35 2pgz s GLY 145 Ca 0.04 0.28 -0.25 0.00 0.00 0.00 0.00 44.72 44.79 2pgz s GLY 145 CO 0.00 3.43 1.42 -0.45 0.00 0.00 0.00 173.10 177.50 2pgz s SER 146 N -3.48 5.85 0.09 1.64 0.15 -1.26 -0.92 113.70 115.76 2pgz s SER 146 Ca 0.23 2.91 -0.08 0.00 0.70 0.00 0.00 55.95 59.72 2pgz s SER 146 Cb 0.02 -2.65 -0.22 0.00 -1.71 0.00 0.00 66.02 61.46 2pgz s SER 146 CO -0.02 -1.19 1.19 -0.25 1.20 0.00 0.00 173.24 174.16 2pgz h TRP 147 N 2.29 0.71 0.00 3.44 2.91 -1.87 -3.41 115.95 120.01 2pgz h TRP 147 Ca -0.51 -0.45 0.00 0.00 1.13 0.00 0.00 58.89 59.07 2pgz h TRP 147 Cb 1.27 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.86 2pgz h TRP 147 CO 0.50 1.30 -0.42 1.33 -1.03 0.00 0.00 178.44 180.12 2pgz n VAL 148 N -3.69 0.00 -4.04 2.65 0.24 -1.26 -5.02 118.33 107.20 2pgz n VAL 148 Ca -0.10 -0.30 -0.35 0.00 -2.04 0.00 0.00 64.34 61.55 2pgz n VAL 148 Cb 0.95 0.80 -0.08 0.00 -1.47 0.00 0.00 33.84 34.03 2pgz n VAL 148 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2pgz s TYR 149 N -1.44 3.36 0.96 6.34 2.02 -1.26 -5.12 117.35 122.21 2pgz s TYR 149 Ca 0.00 0.28 -0.15 0.00 -0.37 0.00 0.00 57.07 56.82 2pgz s TYR 149 Cb 0.00 -1.96 0.21 0.00 -0.40 0.00 0.00 41.96 39.81 2pgz s TYR 149 CO 0.03 0.44 1.32 -1.54 -1.57 0.00 0.00 175.55 174.23 2pgz s SER 150 N -0.43 3.04 0.27 2.29 1.04 -1.26 -4.71 113.70 113.94 2pgz s SER 150 Ca 0.10 0.16 0.22 0.00 0.48 0.00 0.00 55.95 56.91 2pgz s SER 150 Cb -0.12 -0.17 1.01 0.00 0.10 0.00 0.00 66.02 66.85 2pgz s SER 150 CO 0.02 -2.77 1.67 0.61 0.98 0.00 0.00 173.24 173.75 2pgz n GLY 151 N -3.75 -1.11 0.04 7.32 0.00 0.57 -1.09 105.19 107.17 2pgz n GLY 151 Ca 0.16 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.44 2pgz n GLY 151 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pgz n PHE 152 N -2.21 0.40 -0.03 1.61 0.99 -1.26 -4.13 117.46 112.83 2pgz n PHE 152 Ca 0.01 0.12 -0.05 0.00 -0.00 0.00 0.00 57.45 57.52 2pgz n PHE 152 Cb 0.15 -0.67 -0.03 0.00 -1.00 0.00 0.00 39.48 37.94 2pgz n PHE 152 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2pgz n GLU 153 N -1.83 0.15 -3.98 -1.08 1.02 -0.53 -4.19 120.64 110.20 2pgz n GLU 153 Ca 0.06 0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 56.95 2pgz n GLU 153 Cb 0.38 -1.00 -0.16 0.00 -0.02 0.00 0.00 31.44 30.63 2pgz n GLU 153 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2pgz s ILE 154 N -2.12 1.42 0.23 -3.67 1.01 -0.25 -1.19 121.20 116.64 2pgz s ILE 154 Ca -0.09 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 2pgz s ILE 154 Cb 0.03 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.03 2pgz s ILE 154 CO 0.13 0.35 0.45 -0.62 0.00 0.00 0.00 174.94 175.25 2pgz s ASP 155 N 1.53 6.41 0.17 3.58 -1.08 -0.11 -3.91 116.67 123.25 2pgz s ASP 155 Ca 0.03 0.52 0.09 0.00 -0.52 0.00 0.00 52.55 52.68 2pgz s ASP 155 Cb -0.14 -2.06 -0.04 0.00 -1.46 0.00 0.00 42.92 39.22 2pgz s ASP 155 CO -0.09 -0.10 -0.14 -0.76 0.52 0.00 0.00 175.17 174.60 2pgz s LEU 156 N -3.39 2.81 0.07 -1.34 1.43 -1.26 -0.56 118.68 116.45 2pgz s LEU 156 Ca 0.41 -0.63 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2pgz s LEU 156 Cb -0.11 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 2pgz s LEU 156 CO 0.29 0.12 0.10 -1.59 0.23 0.00 0.00 176.35 175.51 2pgz s LYS 157 N -2.65 0.75 0.18 1.70 -2.85 -0.52 -4.92 119.74 111.42 2pgz s LYS 157 Ca 0.23 -1.05 0.10 0.00 -1.00 0.00 0.00 55.97 54.25 2pgz s LYS 157 Cb -0.09 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 2pgz s LYS 157 CO 0.13 -0.20 -0.17 0.95 0.10 0.00 0.00 175.35 176.16 2pgz s THR 158 N -3.84 2.79 0.07 3.79 -4.23 -1.26 -0.73 115.64 112.22 2pgz s THR 158 Ca 0.05 -1.82 0.09 0.00 -1.18 0.00 0.00 61.69 58.83 2pgz s THR 158 Cb 0.06 -2.36 -0.17 0.00 1.34 0.00 0.00 72.50 71.37 2pgz s THR 158 CO -0.10 -0.10 1.25 0.44 -0.54 0.00 0.00 174.62 175.57 2pgz h ASP 159 N 3.10 0.00 -5.03 3.99 3.32 -1.98 -3.47 116.42 116.36 2pgz h ASP 159 Ca -0.47 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.46 2pgz h ASP 159 Cb 1.20 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.57 2pgz h ASP 159 CO 0.51 0.93 -0.37 0.28 -1.72 0.00 0.00 179.24 178.86 2pgz s THR 160 N -2.74 0.09 -2.41 0.35 -1.32 -1.26 -5.03 115.64 103.33 2pgz s THR 160 Ca 0.01 -0.71 0.26 0.00 -1.21 0.00 0.00 61.69 60.03 2pgz s THR 160 Cb 0.09 -0.71 0.53 0.00 -1.51 0.00 0.00 72.50 70.90 2pgz s THR 160 CO 0.81 -0.39 1.69 0.47 -2.21 0.00 0.00 174.62 174.98 2pgz n ASP 161 N 1.02 1.51 -4.61 8.08 8.00 -1.26 -4.78 116.55 124.52 2pgz n ASP 161 Ca -0.21 -1.56 -0.40 0.00 0.71 0.00 0.00 54.79 53.33 2pgz n ASP 161 Cb 0.57 -0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 41.56 2pgz n ASP 161 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2pgz s GLN 162 N -1.93 4.00 0.33 -1.24 -1.52 -1.26 -1.18 119.66 116.87 2pgz s GLN 162 Ca 0.36 0.20 -0.29 0.00 -1.95 0.00 0.00 55.36 53.68 2pgz s GLN 162 Cb 0.20 -3.67 -0.11 0.00 -0.22 0.00 0.00 33.01 29.21 2pgz s GLN 162 CO 0.31 -0.38 1.42 0.08 -0.25 0.00 0.00 175.29 176.47 2pgz s VAL 163 N 2.27 2.39 -0.31 1.09 1.01 -0.82 -4.87 120.40 121.17 2pgz s VAL 163 Ca 0.20 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 2pgz s VAL 163 Cb -0.16 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2pgz s VAL 163 CO 0.10 0.08 1.33 -0.62 0.00 0.00 0.00 175.10 175.99 2pgz s ASP 164 N -0.16 6.62 0.00 3.32 3.68 -0.58 -4.86 116.67 124.69 2pgz s ASP 164 Ca 0.53 1.19 0.14 0.00 2.13 0.00 0.00 52.55 56.54 2pgz s ASP 164 Cb -0.43 -2.54 0.29 0.00 -1.45 0.00 0.00 42.92 38.78 2pgz s ASP 164 CO 0.55 -1.13 1.19 0.18 0.13 0.00 0.00 175.17 176.09 2pgz n LEU 165 N 7.79 2.81 0.28 -1.34 4.77 -1.26 -1.53 117.00 128.51 2pgz n LEU 165 Ca 0.15 -1.61 0.16 0.00 -0.03 0.00 0.00 56.01 54.68 2pgz n LEU 165 Cb 0.47 -0.18 0.81 0.00 -2.33 0.00 0.00 43.42 42.18 2pgz n LEU 165 CO 0.64 0.64 1.02 0.77 -1.33 0.00 0.00 177.39 179.13 2pgz h SER 166 N 2.71 0.00 -0.42 -1.43 4.64 -1.89 -1.28 113.55 115.88 2pgz h SER 166 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pgz h SER 166 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2pgz h SER 166 CO 0.00 0.07 0.00 -1.20 -0.87 0.00 0.00 176.83 174.83 2pgz n SER 167 N -3.40 3.79 -4.73 4.97 7.64 -1.26 -5.01 113.62 115.62 2pgz n SER 167 Ca -0.01 -2.43 -0.42 0.00 1.01 0.00 0.00 58.87 57.01 2pgz n SER 167 Cb 0.23 -0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 2pgz n SER 167 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2pgz s TYR 168 N -1.79 3.10 -0.09 1.43 5.04 -0.49 -4.61 117.35 119.95 2pgz s TYR 168 Ca 0.38 0.93 -0.29 0.00 -2.44 0.00 0.00 57.07 55.64 2pgz s TYR 168 Cb 0.25 -3.80 -0.07 0.00 0.35 0.00 0.00 41.96 38.69 2pgz s TYR 168 CO 0.17 -2.72 2.09 0.98 -1.34 0.00 0.00 175.55 174.73 2pgz n TYR 169 N 3.11 2.25 0.31 4.97 9.36 0.56 -4.86 117.16 132.87 2pgz n TYR 169 Ca 0.09 -0.25 0.15 0.00 3.32 0.00 0.00 57.90 61.22 2pgz n TYR 169 Cb 0.40 -2.76 0.67 0.00 -0.63 0.00 0.00 39.34 37.02 2pgz n TYR 169 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2pgz h ALA 170 N 12.58 1.00 -0.14 2.98 0.00 -1.90 -2.47 119.26 131.32 2pgz h ALA 170 Ca -0.46 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 2pgz h ALA 170 Cb 1.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2pgz h ALA 170 CO 0.95 0.00 -0.14 0.43 0.00 0.00 0.00 179.25 180.49 2pgz n SER 171 N -2.62 2.54 -4.66 0.00 7.64 -1.26 -5.04 113.62 110.22 2pgz n SER 171 Ca 0.00 -3.43 -0.36 0.00 1.01 0.00 0.00 58.87 56.09 2pgz n SER 171 Cb 0.19 -0.53 0.08 0.00 -1.01 0.00 0.00 64.21 62.95 2pgz n SER 171 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2pgz n SER 172 N -1.10 1.12 0.31 6.43 2.88 -0.93 -4.89 113.62 117.43 2pgz n SER 172 Ca 0.22 0.73 0.18 0.00 -1.33 0.00 0.00 58.87 58.68 2pgz n SER 172 Cb 0.80 -1.47 1.00 0.00 -0.75 0.00 0.00 64.21 63.79 2pgz n SER 172 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2pgz h LYS 173 N 0.05 0.00 -5.25 -1.46 1.79 -1.90 -3.43 116.57 106.37 2pgz h LYS 173 Ca -0.49 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.34 2pgz h LYS 173 Cb 1.34 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 31.66 2pgz h LYS 173 CO 0.49 0.02 -0.87 0.71 -1.08 0.00 0.00 179.45 178.73 2pgz s TYR 174 N -4.23 2.28 0.13 -1.35 1.51 -1.26 -0.84 117.35 113.59 2pgz s TYR 174 Ca -0.04 -0.88 -0.06 0.00 -1.01 0.00 0.00 57.07 55.08 2pgz s TYR 174 Cb 0.13 -1.54 -0.06 0.00 -0.11 0.00 0.00 41.96 40.38 2pgz s TYR 174 CO 0.49 -0.36 0.38 -1.83 -1.11 0.00 0.00 175.55 173.13 2pgz s GLU 175 N 0.33 3.65 -0.19 -0.62 -1.05 0.36 -4.79 118.70 116.40 2pgz s GLU 175 Ca -0.16 -0.02 -0.18 0.00 -0.15 0.00 0.00 54.97 54.46 2pgz s GLU 175 Cb -0.17 -2.88 -0.04 0.00 -0.44 0.00 0.00 34.13 30.61 2pgz s GLU 175 CO 0.07 0.49 0.49 0.42 0.95 0.00 0.00 175.26 177.67 2pgz s ILE 176 N -1.60 5.14 -0.09 1.83 -1.09 -1.26 -1.74 121.20 122.38 2pgz s ILE 176 Ca 0.39 0.90 -0.13 0.00 -2.23 0.00 0.00 60.65 59.58 2pgz s ILE 176 Cb -0.12 -3.81 -0.28 0.00 -1.58 0.00 0.00 42.46 36.66 2pgz s ILE 176 CO 0.23 0.22 0.56 -0.07 -1.23 0.00 0.00 174.94 174.64 2pgz h LEU 177 N 7.67 0.45 -7.00 2.97 3.38 -0.87 -3.49 115.31 118.43 2pgz h LEU 177 Ca -0.35 -0.88 -0.02 0.00 0.09 0.00 0.00 57.88 56.71 2pgz h LEU 177 Cb 1.16 -0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 2pgz h LEU 177 CO 0.74 1.70 0.22 -0.94 0.09 0.00 0.00 178.44 180.24 2pgz s SER 178 N -7.11 -0.57 -0.20 -0.43 1.04 -1.04 -4.99 113.70 100.39 2pgz s SER 178 Ca -0.19 0.09 -0.07 0.00 0.48 0.00 0.00 55.95 56.26 2pgz s SER 178 Cb 0.05 0.59 0.09 0.00 0.10 0.00 0.00 66.02 66.85 2pgz s SER 178 CO 0.79 -0.91 0.42 0.00 0.98 0.00 0.00 173.24 174.51 2pgz s ALA 179 N -3.40 -1.15 0.19 5.32 0.00 -1.26 -1.02 121.76 120.44 2pgz s ALA 179 Ca -0.00 1.48 0.09 0.00 0.00 0.00 0.00 51.96 53.52 2pgz s ALA 179 Cb -0.01 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 2pgz s ALA 179 CO -0.10 -0.77 -0.18 0.95 0.00 0.00 0.00 175.76 175.66 2pgz s THR 180 N 2.61 1.88 -0.17 0.00 -4.23 -0.57 -1.94 115.64 113.22 2pgz s THR 180 Ca -0.01 -2.05 -0.03 0.00 -1.18 0.00 0.00 61.69 58.42 2pgz s THR 180 Cb -0.12 -1.95 0.06 0.00 1.34 0.00 0.00 72.50 71.83 2pgz s THR 180 CO -0.13 -0.39 0.05 0.00 -0.54 0.00 0.00 174.62 173.61 2pgz s GLN 181 N -3.08 0.43 -0.09 3.99 -2.07 -0.32 -0.96 119.66 117.56 2pgz s GLN 181 Ca 0.19 -0.24 0.02 0.00 -1.82 0.00 0.00 55.36 53.51 2pgz s GLN 181 Cb -0.04 -1.87 0.02 0.00 -1.09 0.00 0.00 33.01 30.02 2pgz s GLN 181 CO 0.08 -0.61 -0.12 0.99 -1.32 0.00 0.00 175.29 174.30 2pgz s THR 182 N 1.97 1.24 0.25 3.63 2.01 -0.46 -4.22 115.64 120.05 2pgz s THR 182 Ca 0.01 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 2pgz s THR 182 Cb -0.16 -1.15 -0.10 0.00 0.01 0.00 0.00 72.50 71.09 2pgz s THR 182 CO -0.08 0.39 1.47 -0.60 -0.69 0.00 0.00 174.62 175.11 2pgz s ARG 183 N 0.97 4.24 -0.02 4.92 3.52 -1.26 -0.42 118.95 130.91 2pgz s ARG 183 Ca -0.08 2.34 0.04 0.00 -0.13 0.00 0.00 55.73 57.90 2pgz s ARG 183 Cb -0.15 -3.10 -0.01 0.00 -1.56 0.00 0.00 34.95 30.13 2pgz s ARG 183 CO -0.00 -0.46 -0.13 -0.65 -0.81 0.00 0.00 175.30 173.24 2pgz s GLN 184 N -0.25 1.13 -0.22 5.12 -0.21 0.37 -4.93 119.66 120.67 2pgz s GLN 184 Ca 0.61 -0.46 -0.06 0.00 0.02 0.00 0.00 55.36 55.47 2pgz s GLN 184 Cb -0.43 -1.07 -0.02 0.00 1.00 0.00 0.00 33.01 32.49 2pgz s GLN 184 CO 0.43 0.26 0.02 0.08 -2.12 0.00 0.00 175.29 173.96 2pgz s VAL 185 N -0.21 3.98 -0.01 1.09 1.01 -1.26 -1.53 120.40 123.46 2pgz s VAL 185 Ca 0.03 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.78 2pgz s VAL 185 Cb -0.06 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2pgz s VAL 185 CO -0.00 0.39 -0.18 -1.10 0.00 0.00 0.00 175.10 174.21 2pgz s GLN 186 N 1.36 2.27 0.13 2.72 -1.52 0.11 -4.95 119.66 119.78 2pgz s GLN 186 Ca 0.05 -0.84 0.11 0.00 -1.95 0.00 0.00 55.36 52.72 2pgz s GLN 186 Cb -0.15 -2.24 -0.04 0.00 -0.22 0.00 0.00 33.01 30.36 2pgz s GLN 186 CO 0.01 0.58 -0.25 -1.01 -0.25 0.00 0.00 175.29 174.37 2pgz s HIS 187 N -0.78 2.35 -0.05 0.91 3.76 -1.26 -0.59 115.29 119.63 2pgz s HIS 187 Ca 0.12 -0.36 0.06 0.00 -0.15 0.00 0.00 55.06 54.74 2pgz s HIS 187 Cb -0.10 -1.26 -0.02 0.00 1.11 0.00 0.00 32.58 32.31 2pgz s HIS 187 CO 0.02 0.36 -0.24 0.71 -0.85 0.00 0.00 174.74 174.74 2pgz s TYR 188 N -1.13 2.44 0.34 1.40 2.02 -1.26 -5.05 117.35 116.10 2pgz s TYR 188 Ca 0.15 -0.56 0.10 0.00 -0.37 0.00 0.00 57.07 56.39 2pgz s TYR 188 Cb -0.10 -1.57 0.88 0.00 -0.40 0.00 0.00 41.96 40.76 2pgz s TYR 188 CO 0.07 -0.11 1.78 0.66 -1.57 0.00 0.00 175.55 176.38 2pgz h SER 189 N 5.81 0.66 -0.36 2.29 4.64 -2.00 -1.08 113.55 123.51 2pgz h SER 189 Ca -0.37 0.09 0.07 0.00 -0.47 0.00 0.00 61.79 61.11 2pgz h SER 189 Cb 1.16 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 2pgz h SER 189 CO 0.48 0.20 0.25 0.00 -0.87 0.00 0.00 176.83 176.89 2pgz h PRO 192 N 6.88 0.00 -6.83 0.00 0.13 -1.89 -3.39 132.00 126.90 2pgz h PRO 192 Ca -0.37 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.25 2pgz h PRO 192 Cb 1.16 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.31 2pgz h PRO 192 CO 0.48 0.34 0.49 -1.83 -0.23 0.00 0.00 178.00 177.26 2pgz s GLU 193 N -3.51 4.55 0.48 0.86 1.03 -1.26 -5.02 118.70 115.83 2pgz s GLU 193 Ca 0.01 1.84 -0.20 0.00 0.03 0.00 0.00 54.97 56.65 2pgz s GLU 193 Cb 0.10 -3.11 -0.09 0.00 -0.80 0.00 0.00 34.13 30.23 2pgz s GLU 193 CO 0.68 0.12 1.01 -1.25 -1.33 0.00 0.00 175.26 174.48 2pgz s PRO 194 N -1.59 3.91 -0.01 -4.83 0.04 -1.26 -4.67 135.00 126.59 2pgz s PRO 194 Ca 0.46 1.23 0.08 0.00 0.04 0.00 0.00 61.00 62.81 2pgz s PRO 194 Cb -0.32 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 2pgz s PRO 194 CO 0.42 -0.32 -0.25 0.71 0.04 0.00 0.00 177.00 177.60 2pgz s TYR 195 N -2.14 2.21 -0.03 0.56 2.02 0.24 -0.32 117.35 119.88 2pgz s TYR 195 Ca 0.64 -0.42 0.07 0.00 -0.37 0.00 0.00 57.07 57.00 2pgz s TYR 195 Cb -0.13 -1.41 -0.02 0.00 -0.40 0.00 0.00 41.96 40.00 2pgz s TYR 195 CO 0.20 -0.02 -0.26 0.42 -1.57 0.00 0.00 175.55 174.32 2pgz s ILE 196 N -0.60 2.04 0.18 2.71 -1.09 -1.26 0.06 121.20 123.24 2pgz s ILE 196 Ca 0.10 -1.09 -0.02 0.00 -2.23 0.00 0.00 60.65 57.40 2pgz s ILE 196 Cb -0.10 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 39.04 2pgz s ILE 196 CO -0.01 0.57 0.13 1.51 -1.23 0.00 0.00 174.94 175.92 2pgz s ASP 197 N -0.49 0.18 -0.19 3.58 -4.77 -0.59 -4.56 116.67 109.84 2pgz s ASP 197 Ca 0.06 -1.30 -0.02 0.00 -3.30 0.00 0.00 52.55 47.99 2pgz s ASP 197 Cb -0.11 0.37 -0.01 0.00 -1.09 0.00 0.00 42.92 42.08 2pgz s ASP 197 CO 0.00 -0.82 -0.09 -0.69 0.70 0.00 0.00 175.17 174.27 2pgz s VAL 198 N -4.11 3.11 -0.36 2.11 1.01 0.27 -0.48 120.40 121.95 2pgz s VAL 198 Ca 0.33 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 2pgz s VAL 198 Cb 0.07 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 2pgz s VAL 198 CO 0.08 0.47 0.46 0.21 0.00 0.00 0.00 175.10 176.32 2pgz s ASN 199 N 1.16 6.26 -0.38 3.32 2.47 0.43 -0.97 114.94 127.24 2pgz s ASN 199 Ca 0.02 -0.17 -0.21 0.00 0.42 0.00 0.00 52.86 52.91 2pgz s ASN 199 Cb -0.14 -2.24 0.01 0.00 -1.45 0.00 0.00 41.25 37.42 2pgz s ASN 199 CO -0.03 -0.45 0.67 -0.22 -3.72 0.00 0.00 177.10 173.36 2pgz s LEU 200 N 2.25 4.27 -0.18 3.21 2.96 0.18 -1.35 118.68 130.01 2pgz s LEU 200 Ca 0.16 0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 54.14 2pgz s LEU 200 Cb -0.16 -2.83 -0.00 0.00 0.50 0.00 0.00 46.19 43.70 2pgz s LEU 200 CO 0.13 -0.67 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.68 2pgz s VAL 201 N 2.83 2.88 -0.11 1.68 1.01 -0.14 -1.29 120.40 127.26 2pgz s VAL 201 Ca 0.26 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.58 2pgz s VAL 201 Cb -0.14 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 33.99 2pgz s VAL 201 CO 0.16 0.49 -0.20 -0.69 0.00 0.00 0.00 175.10 174.86 2pgz s VAL 202 N 1.09 1.87 -0.22 2.92 1.01 -0.01 -1.50 120.40 125.56 2pgz s VAL 202 Ca 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 2pgz s VAL 202 Cb -0.14 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2pgz s VAL 202 CO -0.03 0.52 0.04 -0.75 0.00 0.00 0.00 175.10 174.88 2pgz s LYS 203 N 0.68 3.68 0.09 2.72 2.20 -0.19 -1.34 119.74 127.59 2pgz s LYS 203 Ca -0.11 -0.48 -0.09 0.00 -0.36 0.00 0.00 55.97 54.93 2pgz s LYS 203 Cb -0.16 -3.22 -0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2pgz s LYS 203 CO 0.02 -0.05 0.19 -0.59 -0.36 0.00 0.00 175.35 174.56 2pgz s PHE 204 N 1.23 0.17 0.12 4.03 -0.12 -0.35 -0.10 117.98 122.95 2pgz s PHE 204 Ca 0.04 -0.59 -0.12 0.00 -0.05 0.00 0.00 56.93 56.21 2pgz s PHE 204 Cb -0.14 -0.06 0.01 0.00 -0.63 0.00 0.00 43.02 42.20 2pgz s PHE 204 CO 0.03 -0.55 0.30 -0.98 -0.05 0.00 0.00 175.22 173.96 2pgz s ARG 205 N -3.87 1.01 0.19 1.99 1.70 -0.71 -0.10 118.95 119.16 2pgz s ARG 205 Ca 0.06 -0.90 -0.32 0.00 -0.47 0.00 0.00 55.73 54.10 2pgz s ARG 205 Cb 0.05 0.40 -0.11 0.00 -0.57 0.00 0.00 34.95 34.72 2pgz s ARG 205 CO -0.10 -0.37 1.65 -1.21 -1.08 0.00 0.00 175.30 174.20 2pgz s GLU 206 N -3.86 4.16 0.05 3.89 2.02 0.24 -0.48 118.70 124.72 2pgz s GLU 206 Ca 0.07 2.50 -0.31 0.00 0.02 0.00 0.00 54.97 57.25 2pgz s GLU 206 Cb 0.03 -3.11 -0.07 0.00 0.10 0.00 0.00 34.13 31.08 2pgz s GLU 206 CO -0.09 -0.69 1.46 0.50 0.02 0.00 0.00 175.26 176.46 2pgz s ARG 207 N 1.14 4.27 0.00 1.61 3.52 -0.02 -4.73 118.95 124.75 2pgz s ARG 207 Ca 0.73 2.09 0.00 0.00 -0.13 0.00 0.00 55.73 58.41 2pgz s ARG 207 Cb -0.47 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 2pgz s ARG 207 CO 0.32 -0.57 0.00 2.89 -0.81 0.00 0.00 175.30 177.13 2pgz n ARG 208 N 4.96 0.00 0.00 5.12 0.00 -1.26 -4.96 116.66 120.51 2pgz n ARG 208 Ca 0.13 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 58.12 2pgz n ARG 208 Cb 0.42 0.00 0.40 0.00 -0.00 0.00 0.00 32.46 33.28 2pgz n ARG 208 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97