#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gup s ILE 3 N 0.00 4.54 -0.35 12.58 -1.09 -0.15 -0.28 121.20 136.47 2gup s ILE 3 Ca 0.00 -0.10 -0.29 0.00 -2.23 0.00 0.00 60.65 58.03 2gup s ILE 3 Cb 0.00 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 2gup s ILE 3 CO 0.00 0.36 1.43 0.00 -1.23 0.00 0.00 174.94 175.49 2gup s ALA 4 N 1.34 3.17 -0.11 9.38 0.00 -0.30 -1.42 121.76 133.82 2gup s ALA 4 Ca 0.05 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.06 2gup s ALA 4 Cb -0.15 -3.88 -0.02 0.00 0.00 0.00 0.00 23.12 19.08 2gup s ALA 4 CO 0.04 -2.15 -0.14 0.99 0.00 0.00 0.00 175.76 174.50 2gup s THR 5 N 5.16 2.98 -0.07 0.00 2.01 0.56 -0.95 115.64 125.32 2gup s THR 5 Ca 0.62 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.94 2gup s THR 5 Cb -0.17 -2.22 0.01 0.00 0.01 0.00 0.00 72.50 70.13 2gup s THR 5 CO 0.29 0.54 -0.13 -0.63 -0.69 0.00 0.00 174.62 174.00 2gup s ILE 6 N 0.13 1.19 -0.22 1.82 1.01 -0.24 -0.09 121.20 124.80 2gup s ILE 6 Ca -0.07 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 2gup s ILE 6 Cb -0.15 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.25 2gup s ILE 6 CO 0.05 0.37 -0.10 -0.62 0.00 0.00 0.00 174.94 174.64 2gup s ASP 7 N 0.70 3.96 -0.20 3.58 2.15 -0.28 -0.57 116.67 126.01 2gup s ASP 7 Ca -0.14 -0.68 -0.07 0.00 0.43 0.00 0.00 52.55 52.09 2gup s ASP 7 Cb -0.16 -1.63 -0.04 0.00 -0.30 0.00 0.00 42.92 40.80 2gup s ASP 7 CO 0.03 -0.06 0.05 -0.63 -0.17 0.00 0.00 175.17 174.39 2gup s ILE 8 N 1.35 4.50 0.28 4.11 1.01 -0.60 -1.26 121.20 130.59 2gup s ILE 8 Ca 0.03 -0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 2gup s ILE 8 Cb -0.15 -3.04 -0.00 0.00 0.01 0.00 0.00 42.46 39.28 2gup s ILE 8 CO -0.07 0.43 0.46 -0.83 0.00 0.00 0.00 174.94 174.93 2gup s GLY 9 N 0.72 0.88 0.45 6.18 0.00 -0.88 -3.95 107.32 110.72 2gup s GLY 9 Ca 0.02 -1.13 0.15 0.00 0.00 0.00 0.00 44.72 43.76 2gup s GLY 9 CO 0.02 -0.79 2.00 -1.33 0.00 0.00 0.00 173.10 173.00 2gup h GLY 10 N 2.24 0.00 1.06 0.20 0.00 -1.99 -2.96 103.07 101.62 2gup h GLY 10 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2gup h GLY 10 CO 0.38 0.00 -0.01 -1.30 0.00 0.00 0.00 176.54 175.61 2gup n THR 11 N -4.33 0.00 0.00 4.70 -2.24 -1.26 -4.61 114.28 106.54 2gup n THR 11 Ca -0.02 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2gup n THR 11 Cb 0.24 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 2gup n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gup n GLY 12 N 1.12 1.36 3.20 3.38 0.00 -1.12 -4.69 105.19 108.44 2gup n GLY 12 Ca 0.20 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 2gup n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gup s ILE 13 N -1.46 1.79 0.03 -0.61 -1.09 0.11 -2.07 121.20 117.89 2gup s ILE 13 Ca 0.00 -0.90 0.06 0.00 -2.23 0.00 0.00 60.65 57.57 2gup s ILE 13 Cb 0.00 -1.53 -0.03 0.00 -1.58 0.00 0.00 42.46 39.32 2gup s ILE 13 CO 0.00 0.50 -0.15 -0.54 -1.23 0.00 0.00 174.94 173.52 2gup s LYS 14 N 0.03 2.22 -0.05 2.79 1.02 -0.39 -0.99 119.74 124.38 2gup s LYS 14 Ca -0.07 -0.90 0.02 0.00 0.02 0.00 0.00 55.97 55.04 2gup s LYS 14 Cb -0.14 -2.28 0.02 0.00 -0.52 0.00 0.00 37.83 34.91 2gup s LYS 14 CO 0.04 0.56 -0.07 0.12 -0.92 0.00 0.00 175.35 175.08 2gup s PHE 15 N -0.93 0.95 -0.01 3.18 5.36 0.20 -1.13 117.98 125.59 2gup s PHE 15 Ca 0.15 -0.29 -0.05 0.00 -0.96 0.00 0.00 56.93 55.78 2gup s PHE 15 Cb -0.11 -0.76 -0.00 0.00 -0.34 0.00 0.00 43.02 41.81 2gup s PHE 15 CO 0.06 -0.20 0.09 0.00 -1.46 0.00 0.00 175.22 173.71 2gup s ALA 16 N 0.76 -0.22 -0.31 11.12 0.00 0.87 -0.90 121.76 133.09 2gup s ALA 16 Ca -0.12 -0.08 -0.14 0.00 0.00 0.00 0.00 51.96 51.62 2gup s ALA 16 Cb -0.14 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 2gup s ALA 16 CO 0.01 -0.15 0.33 -1.12 0.00 0.00 0.00 175.76 174.83 2gup s SER 17 N -0.93 6.17 0.03 0.00 0.01 0.10 -0.32 113.70 118.75 2gup s SER 17 Ca -0.10 -0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.17 2gup s SER 17 Cb -0.06 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 2gup s SER 17 CO 0.01 -0.23 -0.07 -0.76 0.41 0.00 0.00 173.24 172.59 2gup s LEU 18 N 1.97 3.13 0.60 2.44 1.02 -0.50 -0.37 118.68 126.97 2gup s LEU 18 Ca 0.12 -0.21 -0.10 0.00 0.02 0.00 0.00 54.13 53.96 2gup s LEU 18 Cb -0.16 -1.83 -0.03 0.00 0.02 0.00 0.00 46.19 44.18 2gup s LEU 18 CO 0.11 0.25 0.99 0.42 0.02 0.00 0.00 176.35 178.15 2gup s THR 19 N -1.06 4.62 0.51 5.49 -4.23 -0.91 -0.97 115.64 119.10 2gup s THR 19 Ca 0.18 0.72 0.39 0.00 -1.18 0.00 0.00 61.69 61.80 2gup s THR 19 Cb -0.11 -3.83 0.39 0.00 1.34 0.00 0.00 72.50 70.29 2gup s THR 19 CO 0.09 -1.05 2.19 -0.65 -0.54 0.00 0.00 174.62 174.67 2gup h PRO 20 N -0.26 0.00 -0.00 3.99 0.11 -1.98 0.33 132.00 134.19 2gup h PRO 20 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2gup h PRO 20 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2gup h PRO 20 CO 0.62 0.00 -0.01 -0.25 -0.21 0.00 0.00 178.00 178.15 2gup n ASP 21 N -2.90 0.05 0.00 -2.05 8.00 -1.26 -4.93 116.55 113.46 2gup n ASP 21 Ca -0.03 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.17 2gup n ASP 21 Cb 0.10 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 2gup n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gup n GLY 22 N 1.25 0.93 3.67 0.44 0.00 0.10 -5.07 105.19 106.52 2gup n GLY 22 Ca 0.16 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 2gup n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gup s LYS 23 N -1.83 4.28 -0.10 1.61 2.20 -1.25 -4.87 119.74 119.79 2gup s LYS 23 Ca 0.00 0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 56.09 2gup s LYS 23 Cb 0.00 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 2gup s LYS 23 CO 0.00 -0.20 1.53 0.42 -0.36 0.00 0.00 175.35 176.74 2gup s ILE 24 N 1.74 3.81 -0.10 5.43 1.01 -1.26 -2.13 121.20 129.69 2gup s ILE 24 Ca 0.33 0.97 0.05 0.00 0.00 0.00 0.00 60.65 62.00 2gup s ILE 24 Cb -0.16 -3.64 -0.24 0.00 0.01 0.00 0.00 42.46 38.42 2gup s ILE 24 CO 0.12 -0.10 0.43 0.18 0.00 0.00 0.00 174.94 175.57 2gup n LEU 25 N 7.07 1.64 -3.53 2.97 4.77 0.50 -4.98 117.00 125.44 2gup n LEU 25 Ca 0.16 0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 56.29 2gup n LEU 25 Cb 0.44 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2gup n LEU 25 CO 0.61 0.62 0.30 1.51 -1.33 0.00 0.00 177.39 179.09 2gup s ASP 26 N -6.44 -0.41 -0.13 -1.43 1.47 -1.22 -4.96 116.67 103.55 2gup s ASP 26 Ca -0.14 -0.17 -0.06 0.00 1.18 0.00 0.00 52.55 53.36 2gup s ASP 26 Cb 0.07 0.55 0.06 0.00 -0.34 0.00 0.00 42.92 43.26 2gup s ASP 26 CO 0.79 -0.93 0.28 -0.75 0.68 0.00 0.00 175.17 175.24 2gup s LYS 27 N -3.78 0.22 0.14 2.11 2.20 -1.26 -0.72 119.74 118.64 2gup s LYS 27 Ca 0.02 0.68 -0.02 0.00 -0.36 0.00 0.00 55.97 56.29 2gup s LYS 27 Cb 0.00 -0.05 -0.03 0.00 -1.51 0.00 0.00 37.83 36.24 2gup s LYS 27 CO -0.12 -0.21 0.10 -0.08 -0.36 0.00 0.00 175.35 174.68 2gup s THR 28 N 1.79 0.09 0.03 3.43 -1.32 -0.08 -5.01 115.64 114.57 2gup s THR 28 Ca -0.05 -1.83 -0.13 0.00 -1.21 0.00 0.00 61.69 58.47 2gup s THR 28 Cb -0.11 -2.03 0.02 0.00 -1.51 0.00 0.00 72.50 68.87 2gup s THR 28 CO -0.09 -0.42 0.28 -0.94 -2.21 0.00 0.00 174.62 171.24 2gup s SER 29 N -3.04 -0.11 0.23 8.08 1.04 -1.26 -0.63 113.70 118.01 2gup s SER 29 Ca 0.24 -0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.55 2gup s SER 29 Cb 0.07 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 2gup s SER 29 CO 0.02 -0.55 -0.01 0.27 0.98 0.00 0.00 173.24 173.94 2gup s ILE 30 N -2.21 1.09 0.47 -1.02 -4.36 -0.16 -4.99 121.20 110.03 2gup s ILE 30 Ca -0.07 -2.04 -0.24 0.00 -0.26 0.00 0.00 60.65 58.03 2gup s ILE 30 Cb -0.02 -2.32 -0.07 0.00 1.25 0.00 0.00 42.46 41.29 2gup s ILE 30 CO -0.01 -0.35 1.41 -0.55 0.24 0.00 0.00 174.94 175.68 2gup s SER 31 N -3.31 5.72 -0.05 4.36 0.15 -1.26 -0.71 113.70 118.60 2gup s SER 31 Ca 0.28 2.89 -0.34 0.00 0.70 0.00 0.00 55.95 59.48 2gup s SER 31 Cb 0.05 -2.65 -0.12 0.00 -1.71 0.00 0.00 66.02 61.60 2gup s SER 31 CO 0.08 -1.28 1.86 0.41 1.20 0.00 0.00 173.24 175.51 2gup n THR 32 N -0.40 0.53 -0.73 6.45 -1.04 -1.26 -4.61 114.28 113.21 2gup n THR 32 Ca 0.06 -0.10 -0.32 0.00 -2.04 0.00 0.00 64.05 61.66 2gup n THR 32 Cb 0.43 -1.87 0.16 0.00 -1.82 0.00 0.00 70.33 67.22 2gup n THR 32 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2gup n PRO 33 N 6.35 -0.38 0.06 -2.82 -0.02 -1.26 -4.94 135.00 131.99 2gup n PRO 33 Ca 0.22 -0.05 0.13 0.00 -2.02 0.00 0.00 63.50 61.78 2gup n PRO 33 Cb 0.30 -2.27 0.47 0.00 -0.02 0.00 0.00 33.50 31.99 2gup n PRO 33 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2gup n GLU 34 N -3.63 0.16 -3.56 -0.52 -0.58 -1.26 -4.89 120.64 106.37 2gup n GLU 34 Ca 0.11 0.13 -0.12 0.00 -0.42 0.00 0.00 57.16 56.86 2gup n GLU 34 Cb 0.52 -1.68 -0.04 0.00 -0.57 0.00 0.00 31.44 29.67 2gup n GLU 34 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2gup s ASN 35 N -3.93 -0.40 0.22 1.62 2.20 -1.26 -5.03 114.94 108.37 2gup s ASN 35 Ca 0.12 -0.05 -0.08 0.00 -0.94 0.00 0.00 52.86 51.91 2gup s ASN 35 Cb 0.15 0.51 0.24 0.00 -2.00 0.00 0.00 41.25 40.15 2gup s ASN 35 CO 0.58 -0.83 1.87 0.25 -2.94 0.00 0.00 177.10 176.02 2gup h LEU 36 N 2.43 0.85 -0.53 3.54 5.85 -1.90 -2.40 115.31 123.14 2gup h LEU 36 Ca -0.33 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.42 2gup h LEU 36 Cb 1.25 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 2gup h LEU 36 CO 0.42 0.58 0.31 -0.33 -0.34 0.00 0.00 178.44 179.09 2gup h GLU 37 N 1.00 0.60 -0.21 1.25 3.07 -1.96 -0.08 114.58 118.24 2gup h GLU 37 Ca 0.32 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.11 2gup h GLU 37 Cb 0.02 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 2gup h GLU 37 CO -0.11 0.40 -0.01 -0.44 -1.40 0.00 0.00 179.01 177.44 2gup h ASP 38 N 0.62 0.28 -0.10 1.42 3.32 -1.90 -1.31 116.42 118.75 2gup h ASP 38 Ca 0.22 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 2gup h ASP 38 Cb 0.04 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2gup h ASP 38 CO -0.10 0.35 -0.22 0.25 -1.72 0.00 0.00 179.24 177.79 2gup h LEU 39 N 0.30 0.37 -0.58 1.55 5.85 -0.58 -2.40 115.31 119.82 2gup h LEU 39 Ca 0.07 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 2gup h LEU 39 Cb 0.22 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2gup h LEU 39 CO 0.01 0.88 0.29 -0.07 -0.34 0.00 0.00 178.44 179.21 2gup h LEU 40 N -0.12 0.74 -0.52 2.25 3.38 -1.15 0.14 115.31 120.03 2gup h LEU 40 Ca -0.00 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2gup h LEU 40 Cb 0.82 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2gup h LEU 40 CO 0.05 0.65 0.15 0.00 0.09 0.00 0.00 178.44 179.38 2gup h ALA 41 N 1.13 0.68 0.02 1.53 0.00 -1.28 0.31 119.26 121.64 2gup h ALA 41 Ca 0.20 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2gup h ALA 41 Cb 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2gup h ALA 41 CO -0.03 0.35 -0.27 2.35 0.00 0.00 0.00 179.25 181.65 2gup h TRP 42 N 0.71 -0.73 -0.74 0.00 7.01 -1.22 -0.07 115.95 120.90 2gup h TRP 42 Ca 0.17 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.26 2gup h TRP 42 Cb 0.29 0.32 -0.05 0.00 -2.10 0.00 0.00 29.16 27.63 2gup h TRP 42 CO 0.02 -0.36 0.49 -0.07 -2.79 0.00 0.00 178.44 175.72 2gup h LEU 43 N -0.42 0.66 -0.85 0.65 3.38 -0.45 -0.89 115.31 117.38 2gup h LEU 43 Ca 0.06 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2gup h LEU 43 Cb 0.50 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2gup h LEU 43 CO -0.22 0.42 -0.03 -0.78 0.09 0.00 0.00 178.44 177.91 2gup h ASP 44 N 0.74 0.81 -0.71 -0.43 3.58 0.03 -1.16 116.42 119.28 2gup h ASP 44 Ca 0.33 -0.21 -0.06 0.00 0.42 0.00 0.00 57.03 57.51 2gup h ASP 44 Cb 0.32 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 2gup h ASP 44 CO -0.11 0.89 0.22 1.56 -2.88 0.00 0.00 179.24 178.92 2gup h GLN 45 N 0.77 1.10 -0.19 0.28 4.20 0.30 -2.00 115.11 119.57 2gup h GLN 45 Ca 0.14 -0.24 -0.11 0.00 0.06 0.00 0.00 58.65 58.51 2gup h GLN 45 Cb 0.50 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 2gup h GLN 45 CO 0.03 0.94 -0.31 0.00 -0.67 0.00 0.00 178.83 178.82 2gup h ARG 46 N 1.04 0.54 0.00 1.46 2.47 -1.03 -3.11 114.38 115.75 2gup h ARG 46 Ca 0.23 -0.33 -0.03 0.00 -1.26 0.00 0.00 59.98 58.59 2gup h ARG 46 Cb 0.30 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 2gup h ARG 46 CO -0.01 0.94 -0.14 -0.07 0.56 0.00 0.00 179.97 181.25 2gup h LEU 47 N 0.20 0.00 0.00 3.04 3.38 -1.13 -2.98 115.31 117.82 2gup h LEU 47 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2gup h LEU 47 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2gup h LEU 47 CO 0.07 0.14 0.00 -1.54 0.09 0.00 0.00 178.44 177.20 2gup n SER 48 N -3.99 0.00 -0.49 -0.43 3.41 -0.76 -4.00 113.62 107.36 2gup n SER 48 Ca -0.02 0.28 0.05 0.00 -0.26 0.00 0.00 58.87 58.92 2gup n SER 48 Cb 0.23 -0.43 0.08 0.00 -0.26 0.00 0.00 64.21 63.83 2gup n SER 48 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2gup n GLU 49 N -1.43 1.39 -4.10 4.33 0.28 -1.12 -4.95 120.64 115.04 2gup n GLU 49 Ca 0.09 -1.47 -0.10 0.00 -0.16 0.00 0.00 57.16 55.53 2gup n GLU 49 Cb 0.31 -1.22 -0.09 0.00 1.43 0.00 0.00 31.44 31.86 2gup n GLU 49 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2gup s GLN 50 N -0.92 1.05 -0.70 3.44 -0.21 -1.26 -5.11 119.66 115.95 2gup s GLN 50 Ca 0.16 -1.39 -0.21 0.00 0.02 0.00 0.00 55.36 53.95 2gup s GLN 50 Cb 0.10 0.29 0.09 0.00 1.00 0.00 0.00 33.01 34.49 2gup s GLN 50 CO 0.14 -0.33 0.92 -0.51 -2.12 0.00 0.00 175.29 173.38 2gup s ASP 51 N -3.04 6.27 0.23 5.90 1.01 -1.26 -4.99 116.67 120.79 2gup s ASP 51 Ca 0.24 -1.34 -0.16 0.00 0.71 0.00 0.00 52.55 52.00 2gup s ASP 51 Cb 0.06 -2.38 -0.08 0.00 1.01 0.00 0.00 42.92 41.53 2gup s ASP 51 CO 0.03 -1.27 0.67 -0.31 0.21 0.00 0.00 175.17 174.50 2gup s TYR 52 N 3.36 3.54 -2.39 4.23 2.02 -1.26 -4.53 117.35 122.32 2gup s TYR 52 Ca 0.21 1.21 0.24 0.00 -0.37 0.00 0.00 57.07 58.37 2gup s TYR 52 Cb -0.16 -2.50 0.27 0.00 -0.40 0.00 0.00 41.96 39.16 2gup s TYR 52 CO 0.05 0.29 1.28 0.43 -1.57 0.00 0.00 175.55 176.03 2gup n SER 53 N 0.37 2.19 -3.60 2.29 7.64 0.62 -4.95 113.62 118.17 2gup n SER 53 Ca -0.01 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 58.26 2gup n SER 53 Cb 0.52 0.22 -0.01 0.00 -1.01 0.00 0.00 64.21 63.93 2gup n SER 53 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2gup s GLY 54 N -2.26 -0.37 -0.11 0.23 0.00 -1.25 -4.49 107.32 99.06 2gup s GLY 54 Ca 0.25 1.16 -0.01 0.00 0.00 0.00 0.00 44.72 46.11 2gup s GLY 54 CO 0.45 0.31 -0.01 -0.42 0.00 0.00 0.00 173.10 173.43 2gup s ILE 55 N -2.27 0.58 0.51 0.90 1.01 -0.44 -1.14 121.20 120.34 2gup s ILE 55 Ca 0.13 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.66 2gup s ILE 55 Cb 0.03 -0.78 -0.01 0.00 0.01 0.00 0.00 42.46 41.71 2gup s ILE 55 CO -0.04 0.18 0.10 0.00 0.00 0.00 0.00 174.94 175.18 2gup s ALA 56 N 1.87 4.10 -0.16 9.38 0.00 -0.13 -1.83 121.76 135.00 2gup s ALA 56 Ca 0.04 -0.80 -0.07 0.00 0.00 0.00 0.00 51.96 51.13 2gup s ALA 56 Cb -0.13 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 22.89 2gup s ALA 56 CO -0.07 -0.13 0.37 0.45 0.00 0.00 0.00 175.76 176.38 2gup s SER 58 N -3.96 -0.29 0.08 0.00 0.15 0.27 -1.07 113.70 108.87 2gup s SER 58 Ca 0.16 0.82 0.02 0.00 0.70 0.00 0.00 55.95 57.65 2gup s SER 58 Cb 0.01 0.85 -0.03 0.00 -1.71 0.00 0.00 66.02 65.14 2gup s SER 58 CO 0.09 -0.21 -0.08 0.68 1.20 0.00 0.00 173.24 174.93 2gup s VAL 59 N 1.83 0.69 0.61 4.45 -7.23 -0.10 -1.55 120.40 119.10 2gup s VAL 59 Ca -0.06 -1.56 -0.12 0.00 -1.81 0.00 0.00 61.98 58.43 2gup s VAL 59 Cb -0.10 -1.23 -0.04 0.00 0.56 0.00 0.00 36.38 35.57 2gup s VAL 59 CO -0.12 -0.63 1.03 -2.16 -0.31 0.00 0.00 175.10 172.92 2gup s PRO 60 N -2.80 3.56 0.00 4.82 0.04 -1.25 -0.94 135.00 138.43 2gup s PRO 60 Ca 0.03 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.88 2gup s PRO 60 Cb -0.02 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2gup s PRO 60 CO -0.02 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.84 2gup n GLY 61 N -2.45 -0.96 3.58 0.56 0.00 -1.26 -4.92 105.19 99.74 2gup n GLY 61 Ca 0.06 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 2gup n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gup s ALA 62 N -1.52 3.52 0.07 4.61 0.00 -1.15 -4.41 121.76 122.88 2gup s ALA 62 Ca 0.00 -0.86 -0.20 0.00 0.00 0.00 0.00 51.96 50.90 2gup s ALA 62 Cb 0.00 -2.94 -0.07 0.00 0.00 0.00 0.00 23.12 20.12 2gup s ALA 62 CO 0.00 -1.00 0.58 0.08 0.00 0.00 0.00 175.76 175.41 2gup s VAL 63 N 2.33 4.73 -0.47 0.00 1.01 -1.26 -0.34 120.40 126.40 2gup s VAL 63 Ca 0.19 1.23 -0.17 0.00 0.00 0.00 0.00 61.98 63.23 2gup s VAL 63 Cb -0.16 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.37 2gup s VAL 63 CO 0.12 0.55 0.48 0.21 0.00 0.00 0.00 175.10 176.46 2gup s ASN 64 N -1.08 6.19 0.50 3.32 3.84 0.08 -4.95 114.94 122.84 2gup s ASN 64 Ca 0.29 -1.00 0.15 0.00 0.21 0.00 0.00 52.86 52.51 2gup s ASN 64 Cb -0.20 -2.23 1.20 0.00 -0.55 0.00 0.00 41.25 39.47 2gup s ASN 64 CO 0.19 -0.71 2.12 1.56 -2.79 0.00 0.00 177.10 177.47 2gup h GLN 65 N 8.83 0.10 -0.09 0.43 1.08 -1.94 0.04 115.11 123.56 2gup h GLN 65 Ca -0.28 -0.01 -0.16 0.00 -1.45 0.00 0.00 58.65 56.75 2gup h GLN 65 Cb 1.11 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.52 2gup h GLN 65 CO 0.88 0.07 -0.59 1.49 -0.95 0.00 0.00 178.83 179.73 2gup h GLU 66 N 0.11 0.56 0.00 1.46 4.81 -1.97 -3.36 114.58 116.19 2gup h GLU 66 Ca 0.05 -0.48 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 2gup h GLU 66 Cb 0.06 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2gup h GLU 66 CO -0.01 1.11 -1.53 0.25 -0.73 0.00 0.00 179.01 178.09 2gup n THR 67 N -4.17 0.43 -0.70 0.32 -2.24 -0.97 -4.95 114.28 102.01 2gup n THR 67 Ca -0.08 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2gup n THR 67 Cb 0.65 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2gup n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gup n GLY 68 N 1.26 0.79 3.81 3.38 0.00 -0.04 -4.50 105.19 109.90 2gup n GLY 68 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2gup n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gup s VAL 69 N -3.01 4.68 -0.24 1.61 1.01 -1.25 -1.60 120.40 121.60 2gup s VAL 69 Ca 0.00 1.21 -0.07 0.00 0.00 0.00 0.00 61.98 63.12 2gup s VAL 69 Cb 0.00 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 2gup s VAL 69 CO 0.00 0.42 0.05 -0.63 0.00 0.00 0.00 175.10 174.94 2gup s ILE 70 N -1.27 4.18 0.14 2.22 1.01 -1.26 -0.74 121.20 125.48 2gup s ILE 70 Ca 0.34 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.80 2gup s ILE 70 Cb -0.18 -2.95 0.02 0.00 0.01 0.00 0.00 42.46 39.36 2gup s ILE 70 CO 0.20 0.35 0.15 0.47 0.00 0.00 0.00 174.94 176.12 2gup n ASP 71 N 4.88 0.97 0.00 3.58 8.00 0.53 -3.35 116.55 131.17 2gup n ASP 71 Ca -0.16 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 53.90 2gup n ASP 71 Cb 0.51 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 2gup n ASP 71 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gup n GLY 72 N 3.27 -0.13 3.16 0.44 0.00 -1.26 -2.94 105.19 107.73 2gup n GLY 72 Ca 0.02 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 2gup n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2gup s PHE 73 N 0.00 0.90 0.24 1.61 -0.12 -1.26 -4.97 117.98 114.38 2gup s PHE 73 Ca 0.00 -0.81 -0.17 0.00 -0.05 0.00 0.00 56.93 55.90 2gup s PHE 73 Cb 0.00 -0.51 0.06 0.00 -0.63 0.00 0.00 43.02 41.94 2gup s PHE 73 CO 0.00 -0.11 0.85 -1.13 -0.05 0.00 0.00 175.22 174.78 2gup n SER 74 N 0.26 -1.75 0.15 1.98 3.41 -1.26 -4.40 113.62 112.00 2gup n SER 74 Ca -0.14 -2.05 0.13 0.00 -0.26 0.00 0.00 58.87 56.55 2gup n SER 74 Cb 0.59 2.88 0.51 0.00 -0.26 0.00 0.00 64.21 67.94 2gup n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gup h ALA 75 N 2.00 1.00 -2.88 7.33 0.00 -1.97 -3.33 119.26 121.41 2gup h ALA 75 Ca -0.27 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.02 2gup h ALA 75 Cb 1.09 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.47 2gup h ALA 75 CO 0.35 0.00 -0.53 0.28 0.00 0.00 0.00 179.25 179.35 2gup n VAL 76 N -2.34 1.92 -0.06 0.00 0.31 -1.26 -4.77 118.33 112.13 2gup n VAL 76 Ca 0.02 -4.97 0.11 0.00 -0.01 0.00 0.00 64.34 59.49 2gup n VAL 76 Cb 0.24 -2.18 0.50 0.00 -0.91 0.00 0.00 33.84 31.48 2gup n VAL 76 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2gup h PRO 77 N 5.18 0.40 0.00 5.55 0.11 -2.00 -2.61 132.00 138.62 2gup h PRO 77 Ca 0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2gup h PRO 77 Cb 0.74 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2gup h PRO 77 CO 0.76 0.27 0.00 2.48 -0.21 0.00 0.00 178.00 181.29 2gup n TYR 78 N -4.47 0.13 0.82 0.65 0.18 -1.26 -2.19 117.16 111.02 2gup n TYR 78 Ca 0.09 0.05 0.10 0.00 1.88 0.00 0.00 57.90 60.02 2gup n TYR 78 Cb 0.33 -0.58 0.48 0.00 -0.38 0.00 0.00 39.34 39.19 2gup n TYR 78 CO 0.00 0.00 0.00 0.44 -2.08 0.00 0.00 176.86 175.22 2gup n ILE 79 N -1.62 0.48 -3.79 -3.48 -5.35 -0.99 -4.78 119.36 99.84 2gup n ILE 79 Ca 0.04 0.12 -0.22 0.00 -0.27 0.00 0.00 62.75 62.42 2gup n ILE 79 Cb 0.21 -0.76 -0.02 0.00 -1.74 0.00 0.00 39.64 37.33 2gup n ILE 79 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 2gup s HIS 80 N -2.86 3.46 0.00 4.28 3.76 -0.93 -4.61 115.29 118.38 2gup s HIS 80 Ca 0.14 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.12 2gup s HIS 80 Cb 0.14 -1.67 0.00 0.00 1.11 0.00 0.00 32.58 32.16 2gup s HIS 80 CO 0.37 0.34 0.00 0.41 -0.85 0.00 0.00 174.74 175.00 2gup n GLY 81 N -1.52 0.62 3.38 -2.22 0.00 -1.21 -4.98 105.19 99.25 2gup n GLY 81 Ca -0.08 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 2gup n GLY 81 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2gup s PHE 82 N -2.00 0.15 -0.31 1.61 -0.12 -1.26 -5.05 117.98 111.00 2gup s PHE 82 Ca 0.00 -0.51 -0.29 0.00 -0.05 0.00 0.00 56.93 56.08 2gup s PHE 82 Cb 0.00 0.12 0.02 0.00 -0.63 0.00 0.00 43.02 42.52 2gup s PHE 82 CO 0.00 -0.76 1.08 0.45 -0.05 0.00 0.00 175.22 175.93 2gup s SER 83 N -2.91 6.95 0.52 1.98 0.15 -1.26 -4.03 113.70 115.09 2gup s SER 83 Ca 0.12 1.10 0.30 0.00 0.70 0.00 0.00 55.95 58.17 2gup s SER 83 Cb 0.02 -2.54 1.24 0.00 -1.71 0.00 0.00 66.02 63.03 2gup s SER 83 CO -0.03 -0.86 1.94 -0.50 1.20 0.00 0.00 173.24 174.99 2gup h TRP 84 N 8.03 0.00 -0.58 3.44 4.06 -1.54 -1.31 115.95 128.05 2gup h TRP 84 Ca -0.20 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.72 2gup h TRP 84 Cb 1.06 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.19 2gup h TRP 84 CO 0.82 0.08 0.27 1.88 -3.56 0.00 0.00 178.44 177.93 2gup h TYR 85 N 0.00 0.84 0.18 0.49 0.05 -1.79 -2.09 116.97 114.65 2gup h TYR 85 Ca -0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 2gup h TYR 85 Cb 0.57 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 38.05 2gup h TYR 85 CO 0.00 0.65 -0.09 0.93 -1.05 0.00 0.00 178.16 178.61 2gup h GLU 86 N 0.79 -0.23 -0.86 4.88 5.08 -1.83 -2.79 114.58 119.62 2gup h GLU 86 Ca 0.20 0.02 0.24 0.00 -1.00 0.00 0.00 59.36 58.81 2gup h GLU 86 Cb 0.13 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2gup h GLU 86 CO -0.02 0.08 0.61 0.00 -1.00 0.00 0.00 179.01 178.68 2gup h ALA 87 N 0.19 2.64 -0.33 3.43 0.00 -1.19 -0.94 119.26 123.05 2gup h ALA 87 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2gup h ALA 87 Cb 0.42 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2gup h ALA 87 CO 0.04 -0.90 0.00 1.28 0.00 0.00 0.00 179.25 179.67 2gup n LEU 88 N -4.35 3.62 0.23 0.00 4.77 -0.79 -4.72 117.00 115.75 2gup n LEU 88 Ca 0.18 -2.56 0.08 0.00 -0.03 0.00 0.00 56.01 53.68 2gup n LEU 88 Cb 0.86 -0.42 0.57 0.00 -2.33 0.00 0.00 43.42 42.09 2gup n LEU 88 CO 0.36 0.71 0.89 0.77 -1.33 0.00 0.00 177.39 178.79 2gup h SER 89 N 2.13 0.00 0.85 -1.43 4.64 -0.88 -2.66 113.55 116.20 2gup h SER 89 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gup h SER 89 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2gup h SER 89 CO 0.14 0.20 0.00 0.77 -0.87 0.00 0.00 176.83 177.07 2gup h SER 90 N 0.00 0.00 1.70 4.97 4.64 -1.85 -0.81 113.55 122.20 2gup h SER 90 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gup h SER 90 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2gup h SER 90 CO 0.03 0.00 0.00 1.88 -0.87 0.00 0.00 176.83 177.87 2gup h TYR 91 N 0.00 0.00 -5.96 4.77 0.05 -1.86 -3.47 116.97 110.50 2gup h TYR 91 Ca 0.00 0.00 -0.41 0.00 0.05 0.00 0.00 58.73 58.37 2gup h TYR 91 Cb 0.42 0.00 0.09 0.00 1.01 0.00 0.00 36.73 38.25 2gup h TYR 91 CO 0.00 0.00 -0.73 1.04 -1.05 0.00 0.00 178.16 177.42 2gup n GLN 92 N -2.81 -6.86 -4.55 4.88 6.02 -0.31 -4.98 117.38 108.78 2gup n GLN 92 Ca 0.04 0.75 -0.29 0.00 -0.01 0.00 0.00 57.00 57.50 2gup n GLN 92 Cb 0.47 -5.72 -0.14 0.00 1.02 0.00 0.00 30.24 25.87 2gup n GLN 92 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2gup s LEU 93 N -7.09 2.27 0.20 1.08 1.43 -1.26 -5.07 118.68 110.24 2gup s LEU 93 Ca 0.46 -0.69 -0.32 0.00 -1.03 0.00 0.00 54.13 52.55 2gup s LEU 93 Cb -0.21 -1.20 -0.12 0.00 0.03 0.00 0.00 46.19 44.69 2gup s LEU 93 CO 0.76 0.19 1.67 -2.65 0.23 0.00 0.00 176.35 176.56 2gup n PRO 94 N 1.23 2.61 -4.70 1.29 -0.02 -1.26 -4.83 135.00 129.31 2gup n PRO 94 Ca -0.18 0.94 -0.32 0.00 -2.02 0.00 0.00 63.50 61.92 2gup n PRO 94 Cb 0.53 -2.76 -0.17 0.00 -0.02 0.00 0.00 33.50 31.08 2gup n PRO 94 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2gup s VAL 95 N 0.98 2.04 0.07 -1.45 1.01 -1.26 -1.33 120.40 120.46 2gup s VAL 95 Ca 0.75 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.82 2gup s VAL 95 Cb -0.55 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2gup s VAL 95 CO 0.35 0.55 -0.17 -1.00 0.00 0.00 0.00 175.10 174.83 2gup s HIS 96 N 0.78 1.46 0.08 5.22 3.76 -0.76 -5.00 115.29 120.83 2gup s HIS 96 Ca -0.08 -0.42 0.03 0.00 -0.15 0.00 0.00 55.06 54.44 2gup s HIS 96 Cb -0.16 -0.83 -0.03 0.00 1.11 0.00 0.00 32.58 32.67 2gup s HIS 96 CO -0.01 0.10 -0.08 -0.51 -0.85 0.00 0.00 174.74 173.39 2gup s LEU 97 N -1.60 2.39 0.04 0.89 1.02 -1.26 -4.38 118.68 115.78 2gup s LEU 97 Ca 0.02 -0.79 -0.17 0.00 0.02 0.00 0.00 54.13 53.22 2gup s LEU 97 Cb -0.09 -0.20 0.03 0.00 0.02 0.00 0.00 46.19 45.95 2gup s LEU 97 CO 0.03 -0.30 0.38 -0.70 0.02 0.00 0.00 176.35 175.77 2gup s GLU 98 N -2.73 0.88 0.50 1.70 2.56 -1.26 -4.98 118.70 115.38 2gup s GLU 98 Ca 0.03 -0.40 -0.22 0.00 0.00 0.00 0.00 54.97 54.38 2gup s GLU 98 Cb -0.03 0.39 -0.06 0.00 2.00 0.00 0.00 34.13 36.43 2gup s GLU 98 CO -0.01 -0.30 1.20 1.21 -0.56 0.00 0.00 175.26 176.81 2gup s ASN 99 N -2.01 5.86 0.24 -1.70 3.84 -1.26 -0.92 114.94 118.99 2gup s ASN 99 Ca -0.05 2.39 -0.07 0.00 0.21 0.00 0.00 52.86 55.34 2gup s ASN 99 Cb -0.01 -2.61 0.24 0.00 -0.55 0.00 0.00 41.25 38.32 2gup s ASN 99 CO -0.02 -1.14 1.91 -2.24 -2.79 0.00 0.00 177.10 172.82 2gup h ASP 100 N 1.74 1.12 -0.05 -4.21 3.04 -1.33 -1.43 116.42 115.31 2gup h ASP 100 Ca -0.50 -0.04 -0.14 0.00 -3.24 0.00 0.00 57.03 53.11 2gup h ASP 100 Cb 1.26 -0.28 -0.01 0.00 -1.04 0.00 0.00 39.33 39.26 2gup h ASP 100 CO 0.59 0.83 -0.41 0.00 -2.04 0.00 0.00 179.24 178.21 2gup h ALA 101 N 1.34 0.83 -0.42 4.15 0.00 -1.88 -0.85 119.26 122.42 2gup h ALA 101 Ca 0.35 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2gup h ALA 101 Cb -0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2gup h ALA 101 CO -0.07 0.65 0.22 -0.91 0.00 0.00 0.00 179.25 179.14 2gup h ASN 102 N 0.47 0.54 -0.42 0.00 2.35 -1.55 -2.18 115.58 114.79 2gup h ASN 102 Ca 0.04 -0.10 0.08 0.00 -0.55 0.00 0.00 56.30 55.77 2gup h ASN 102 Cb 0.92 -0.14 -0.09 0.00 0.05 0.00 0.00 38.32 39.06 2gup h ASN 102 CO 0.08 0.49 -0.37 0.00 -1.65 0.00 0.00 177.43 175.97 2gup h VAL 104 N -0.28 0.66 -0.49 0.00 2.07 -0.96 0.43 116.25 117.68 2gup h VAL 104 Ca 0.16 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.66 2gup h VAL 104 Cb 0.56 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 2gup h VAL 104 CO -0.57 0.05 0.18 1.23 0.02 0.00 0.00 177.57 178.47 2gup h GLY 105 N 0.26 0.65 1.78 2.17 0.00 -0.83 -2.68 103.07 104.42 2gup h GLY 105 Ca 0.30 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 2gup h GLY 105 CO -0.39 0.02 -0.33 1.41 0.00 0.00 0.00 176.54 177.25 2gup h LEU 106 N 0.35 0.25 -1.86 3.11 3.38 0.04 -2.30 115.31 118.29 2gup h LEU 106 Ca 0.23 -0.09 0.23 0.00 0.09 0.00 0.00 57.88 58.34 2gup h LEU 106 Cb 0.24 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2gup h LEU 106 CO -0.23 0.58 0.60 0.77 0.09 0.00 0.00 178.44 180.24 2gup h SER 107 N 0.22 0.12 0.17 -0.43 4.64 -0.59 0.13 113.55 117.80 2gup h SER 107 Ca 0.03 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2gup h SER 107 Cb 0.70 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2gup h SER 107 CO 0.05 0.04 -0.02 -0.33 -0.87 0.00 0.00 176.83 175.71 2gup h GLU 108 N 0.11 0.00 0.00 4.77 4.39 -1.41 -2.54 114.58 119.90 2gup h GLU 108 Ca 0.42 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 60.00 2gup h GLU 108 Cb 1.48 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.11 2gup h GLU 108 CO -0.06 0.02 -0.58 -0.07 -1.16 0.00 0.00 179.01 177.16 2gup h LEU 109 N 0.00 0.00 -0.02 1.33 3.38 -0.90 0.24 115.31 119.35 2gup h LEU 109 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gup h LEU 109 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2gup h LEU 109 CO 0.00 0.58 0.00 0.25 0.09 0.00 0.00 178.44 179.37 2gup h LEU 110 N 0.00 0.03 -1.09 1.67 5.85 -1.55 -2.56 115.31 117.66 2gup h LEU 110 Ca -0.01 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.42 2gup h LEU 110 Cb 1.03 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2gup h LEU 110 CO 0.08 0.24 -0.20 0.00 -0.34 0.00 0.00 178.44 178.22 2gup h ALA 111 N 0.79 1.24 -2.12 1.25 0.00 -1.39 -3.39 119.26 115.63 2gup h ALA 111 Ca 0.01 -0.30 -0.57 0.00 0.00 0.00 0.00 54.91 54.05 2gup h ALA 111 Cb 0.22 -0.12 -0.39 0.00 0.00 0.00 0.00 17.79 17.51 2gup h ALA 111 CO -0.00 0.50 -1.06 0.72 0.00 0.00 0.00 179.25 179.41 2gup n HIS 112 N -4.17 -0.43 0.36 0.00 8.25 0.84 -5.00 115.22 115.07 2gup n HIS 112 Ca -0.00 -3.50 0.04 0.00 -0.26 0.00 0.00 57.72 54.00 2gup n HIS 112 Cb 0.35 -0.18 0.20 0.00 1.12 0.00 0.00 29.99 31.49 2gup n HIS 112 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2gup n PRO 113 N 1.82 0.07 -0.01 -0.41 -0.04 -0.97 -1.74 135.00 133.71 2gup n PRO 113 Ca 0.24 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 64.10 2gup n PRO 113 Cb 0.51 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.93 2gup n PRO 113 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2gup n GLU 114 N -1.38 1.77 -2.08 0.54 4.71 -1.26 -4.92 120.64 118.01 2gup n GLU 114 Ca 0.03 -1.12 -0.41 0.00 -0.01 0.00 0.00 57.16 55.65 2gup n GLU 114 Cb 0.08 -1.47 -0.03 0.00 -1.01 0.00 0.00 31.44 29.02 2gup n GLU 114 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2gup s LEU 115 N -1.95 4.39 -0.05 -4.62 1.43 -0.71 -4.90 118.68 112.27 2gup s LEU 115 Ca 0.36 2.57 -0.08 0.00 -1.03 0.00 0.00 54.13 55.95 2gup s LEU 115 Cb 0.21 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 2gup s LEU 115 CO 0.32 -0.65 -0.15 -0.62 0.23 0.00 0.00 176.35 175.49 2gup n GLU 116 N 2.54 0.23 -4.22 1.70 -0.58 -1.26 -4.19 120.64 114.86 2gup n GLU 116 Ca 0.07 0.09 -0.33 0.00 -0.42 0.00 0.00 57.16 56.57 2gup n GLU 116 Cb 0.41 -0.84 -0.16 0.00 -0.57 0.00 0.00 31.44 30.29 2gup n GLU 116 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2gup s ASN 117 N -5.38 3.26 -0.02 1.62 0.01 -1.26 -0.47 114.94 112.70 2gup s ASN 117 Ca -0.12 -0.61 -0.09 0.00 -0.71 0.00 0.00 52.86 51.32 2gup s ASN 117 Cb 0.02 -1.50 0.01 0.00 0.41 0.00 0.00 41.25 40.19 2gup s ASN 117 CO 0.18 0.02 0.20 0.00 -1.51 0.00 0.00 177.10 175.99 2gup s ALA 118 N 1.20 -0.50 0.09 0.60 0.00 -0.87 0.03 121.76 122.31 2gup s ALA 118 Ca 0.02 0.17 0.09 0.00 0.00 0.00 0.00 51.96 52.24 2gup s ALA 118 Cb -0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2gup s ALA 118 CO -0.10 -0.20 -0.20 0.00 0.00 0.00 0.00 175.76 175.27 2gup s ALA 119 N -0.99 2.59 -0.06 0.00 0.00 -0.95 -1.46 121.76 120.88 2gup s ALA 119 Ca -0.11 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.56 2gup s ALA 119 Cb -0.06 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.44 2gup s ALA 119 CO 0.02 0.58 -0.13 0.00 0.00 0.00 0.00 175.76 176.23 2gup s VAL 121 N 0.53 1.92 -0.38 0.00 1.01 0.02 -2.06 120.40 121.43 2gup s VAL 121 Ca -0.12 -1.16 -0.16 0.00 0.00 0.00 0.00 61.98 60.54 2gup s VAL 121 Cb -0.15 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.33 2gup s VAL 121 CO 0.03 0.23 0.38 -0.69 0.00 0.00 0.00 175.10 175.06 2gup s VAL 122 N 1.28 5.15 -0.40 2.92 1.01 -0.01 -0.71 120.40 129.65 2gup s VAL 122 Ca -0.01 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 2gup s VAL 122 Cb -0.16 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.32 2gup s VAL 122 CO -0.09 -0.25 0.27 -0.63 0.00 0.00 0.00 175.10 174.40 2gup s ILE 123 N 2.03 5.05 0.00 2.22 1.01 0.21 -1.87 121.20 129.85 2gup s ILE 123 Ca 0.11 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.04 2gup s ILE 123 Cb -0.17 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.48 2gup s ILE 123 CO 0.12 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.39 2gup n GLY 124 N 5.11 4.22 0.30 6.18 0.00 -1.26 -3.98 105.19 115.76 2gup n GLY 124 Ca -0.11 -0.55 -0.04 0.00 0.00 0.00 0.00 46.02 45.32 2gup n GLY 124 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2gup h THR 125 N 0.00 1.18 -2.75 2.61 1.35 -1.94 -0.87 112.91 112.49 2gup h THR 125 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2gup h THR 125 Cb 0.00 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.47 2gup h THR 125 CO 0.00 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 2gup n GLY 126 N -1.31 7.53 2.97 5.82 0.00 -1.26 -3.83 105.19 115.10 2gup n GLY 126 Ca 0.08 -2.00 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 2gup n GLY 126 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gup s ILE 127 N 1.09 1.29 0.42 -0.61 1.01 -1.26 -4.55 121.20 118.59 2gup s ILE 127 Ca 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.24 2gup s ILE 127 Cb 0.00 -1.24 -0.07 0.00 0.01 0.00 0.00 42.46 41.16 2gup s ILE 127 CO 0.00 0.41 0.01 -0.83 0.00 0.00 0.00 174.94 174.53 2gup s GLY 128 N 1.48 2.57 0.26 6.18 0.00 -0.78 -3.31 107.32 113.72 2gup s GLY 128 Ca 0.03 -2.03 -0.11 0.00 0.00 0.00 0.00 44.72 42.61 2gup s GLY 128 CO -0.08 -2.10 0.58 0.61 0.00 0.00 0.00 173.10 172.11 2gup n GLY 129 N -1.00 1.23 0.00 0.20 0.00 -0.94 -0.83 105.19 103.85 2gup n GLY 129 Ca -0.07 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2gup n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gup n ALA 130 N -1.29 0.00 -3.65 4.61 0.00 -0.87 -4.31 120.51 115.00 2gup n ALA 130 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 2gup n ALA 130 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 2gup n ALA 130 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2gup s ILE 132 N -1.26 -0.29 -0.05 0.00 1.01 -0.54 -1.25 121.20 118.82 2gup s ILE 132 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.70 2gup s ILE 132 Cb 0.00 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.53 2gup s ILE 132 CO 0.00 0.01 -0.15 -0.63 0.00 0.00 0.00 174.94 174.16 2gup s ILE 133 N 1.99 1.32 -0.84 2.92 -1.09 0.57 -2.06 121.20 124.01 2gup s ILE 133 Ca -0.08 -0.63 -0.17 0.00 -2.23 0.00 0.00 60.65 57.54 2gup s ILE 133 Cb -0.08 -1.16 0.02 0.00 -1.58 0.00 0.00 42.46 39.67 2gup s ILE 133 CO -0.19 0.39 0.31 0.59 -1.23 0.00 0.00 174.94 174.82 2gup n ASN 134 N 3.39 -1.73 0.00 3.58 3.02 -0.74 -1.40 115.26 121.38 2gup n ASN 134 Ca -0.20 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 2gup n ASN 134 Cb 0.53 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 2gup n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gup n GLY 135 N -1.78 1.01 3.43 7.41 0.00 0.38 -4.99 105.19 110.65 2gup n GLY 135 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 2gup n GLY 135 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gup s ARG 136 N -0.16 1.56 0.26 1.61 1.81 -0.50 -5.03 118.95 118.50 2gup s ARG 136 Ca 0.00 -1.63 -0.30 0.00 -1.72 0.00 0.00 55.73 52.08 2gup s ARG 136 Cb 0.00 -1.73 -0.10 0.00 -0.45 0.00 0.00 34.95 32.67 2gup s ARG 136 CO 0.00 0.34 1.50 -1.17 -0.68 0.00 0.00 175.30 175.30 2gup s LEU 137 N -3.09 4.37 -0.36 2.53 2.96 -1.26 -0.32 118.68 123.51 2gup s LEU 137 Ca 0.25 2.76 -0.14 0.00 -0.22 0.00 0.00 54.13 56.78 2gup s LEU 137 Cb -0.06 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 2gup s LEU 137 CO 0.12 -0.78 0.26 -2.28 -1.32 0.00 0.00 176.35 172.34 2gup s HIS 138 N 0.09 3.23 -0.13 5.38 5.65 -1.26 -4.82 115.29 123.43 2gup s HIS 138 Ca 0.62 -0.34 0.04 0.00 0.25 0.00 0.00 55.06 55.62 2gup s HIS 138 Cb -0.44 -2.51 -0.24 0.00 -1.18 0.00 0.00 32.58 28.21 2gup s HIS 138 CO 0.44 -0.44 0.32 0.54 -0.65 0.00 0.00 174.74 174.95 2gup n ARG 139 N 5.12 0.69 0.00 2.88 1.74 -1.26 -4.46 116.66 121.38 2gup n ARG 139 Ca -0.12 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2gup n ARG 139 Cb 0.49 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 2gup n ARG 139 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gup n GLY 140 N 1.87 -1.66 0.17 -0.13 0.00 -1.26 0.26 105.19 104.43 2gup n GLY 140 Ca -0.30 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.39 2gup n GLY 140 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2gup n ARG 141 N -0.91 -0.03 -1.12 1.61 3.00 -1.26 -1.60 116.66 116.34 2gup n ARG 141 Ca 0.00 0.72 -0.02 0.00 -0.00 0.00 0.00 57.85 58.55 2gup n ARG 141 Cb 0.00 -1.23 0.14 0.00 0.00 0.00 0.00 32.46 31.37 2gup n ARG 141 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2gup n HIS 142 N -4.32 0.77 -4.03 -0.14 8.25 -1.26 -4.95 115.22 109.53 2gup n HIS 142 Ca 0.16 -1.63 -0.33 0.00 -0.26 0.00 0.00 57.72 55.66 2gup n HIS 142 Cb 0.54 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 31.34 2gup n HIS 142 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2gup n GLY 143 N -0.87 -0.44 1.04 -1.41 0.00 -0.63 -4.86 105.19 98.02 2gup n GLY 143 Ca 0.24 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.43 2gup n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gup n LEU 144 N -3.89 3.57 -4.64 0.99 4.77 -0.88 -4.94 117.00 111.97 2gup n LEU 144 Ca 0.08 -2.08 -0.49 0.00 -0.03 0.00 0.00 56.01 53.48 2gup n LEU 144 Cb 0.48 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 2gup n LEU 144 CO 0.75 0.85 1.11 0.61 -1.33 0.00 0.00 177.39 179.37 2gup n GLY 145 N 1.00 0.89 2.03 -0.72 0.00 0.14 -2.41 105.19 106.14 2gup n GLY 145 Ca 0.19 0.70 -0.01 0.00 0.00 0.00 0.00 46.02 46.89 2gup n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gup n GLY 146 N 3.18 0.44 2.58 -0.02 0.00 -1.26 -4.69 105.19 105.42 2gup n GLY 146 Ca 0.18 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 2gup n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gup n GLU 147 N -2.49 3.40 0.28 1.61 -0.58 -1.01 -2.23 120.64 119.62 2gup n GLU 147 Ca -0.01 -2.66 0.14 0.00 -0.42 0.00 0.00 57.16 54.21 2gup n GLU 147 Cb 0.16 -3.02 0.85 0.00 -0.57 0.00 0.00 31.44 28.86 2gup n GLU 147 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 2gup h PHE 148 N 5.50 0.00 0.00 -0.32 0.04 -1.85 -1.78 116.94 118.54 2gup h PHE 148 Ca 0.66 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.43 2gup h PHE 148 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 2gup h PHE 148 CO 1.59 0.05 0.00 0.41 -0.60 0.00 0.00 178.31 179.76 2gup n GLY 149 N -1.03 -0.93 3.52 -1.45 0.00 -1.21 -4.63 105.19 99.46 2gup n GLY 149 Ca -0.02 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2gup n GLY 149 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gup s TYR 150 N -3.37 2.65 -0.20 1.61 1.51 -0.67 -2.04 117.35 116.83 2gup s TYR 150 Ca 0.00 -0.79 -0.06 0.00 -1.01 0.00 0.00 57.07 55.22 2gup s TYR 150 Cb 0.06 -4.53 0.10 0.00 -0.11 0.00 0.00 41.96 37.48 2gup s TYR 150 CO 0.23 -1.82 0.39 0.95 -1.11 0.00 0.00 175.55 174.19 2gup s THR 152 N 4.44 -0.62 -1.87 -0.71 -4.23 -1.26 -4.66 115.64 106.73 2gup s THR 152 Ca 0.37 0.13 0.17 0.00 -1.18 0.00 0.00 61.69 61.18 2gup s THR 152 Cb -0.05 -0.67 0.26 0.00 1.34 0.00 0.00 72.50 73.38 2gup s THR 152 CO -0.02 0.04 1.17 0.35 -0.54 0.00 0.00 174.62 175.61 2gup n THR 153 N 5.38 0.37 -4.26 3.99 -2.24 -1.21 -4.89 114.28 111.43 2gup n THR 153 Ca -0.07 -0.69 -0.14 0.00 -2.27 0.00 0.00 64.05 60.88 2gup n THR 153 Cb 0.50 1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 69.66 2gup n THR 153 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2gup s LEU 154 N -1.26 2.16 0.17 3.22 1.02 -1.25 -5.12 118.68 117.62 2gup s LEU 154 Ca 0.26 -1.17 -0.32 0.00 0.02 0.00 0.00 54.13 52.92 2gup s LEU 154 Cb 0.16 -0.12 -0.11 0.00 0.02 0.00 0.00 46.19 46.14 2gup s LEU 154 CO 0.22 -0.54 1.72 0.00 0.02 0.00 0.00 176.35 177.77 2gup s ALA 155 N -3.59 3.86 0.48 4.21 0.00 -1.26 -4.87 121.76 120.60 2gup s ALA 155 Ca 0.24 1.50 -0.23 0.00 0.00 0.00 0.00 51.96 53.47 2gup s ALA 155 Cb 0.06 -3.70 -0.08 0.00 0.00 0.00 0.00 23.12 19.40 2gup s ALA 155 CO 0.04 -0.97 1.20 -2.30 0.00 0.00 0.00 175.76 173.73 2gup n PRO 156 N 4.45 1.60 0.00 0.00 -0.02 -1.25 -4.80 135.00 134.98 2gup n PRO 156 Ca 0.16 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2gup n PRO 156 Cb 0.37 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2gup n PRO 156 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gup n ALA 157 N -0.73 0.00 -0.33 3.55 0.00 -1.26 -4.97 120.51 116.77 2gup n ALA 157 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.52 2gup n ALA 157 Cb 0.42 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.99 2gup n ALA 157 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2gup h GLU 158 N 0.00 1.11 -6.22 0.00 4.39 -2.06 -3.42 114.58 108.39 2gup h GLU 158 Ca 0.00 -0.07 -0.55 0.00 0.34 0.00 0.00 59.36 59.08 2gup h GLU 158 Cb 0.00 -0.25 -0.09 0.00 -0.10 0.00 0.00 28.75 28.31 2gup h GLU 158 CO 0.00 0.74 -0.62 0.15 -1.16 0.00 0.00 179.01 178.12 2gup s LYS 159 N -6.10 2.47 0.40 2.33 1.02 -1.26 -5.02 119.74 113.59 2gup s LYS 159 Ca -0.13 -1.27 0.12 0.00 0.02 0.00 0.00 55.97 54.71 2gup s LYS 159 Cb 0.18 -2.30 0.83 0.00 -0.52 0.00 0.00 37.83 36.02 2gup s LYS 159 CO 0.80 0.39 1.91 1.25 -0.92 0.00 0.00 175.35 178.78 2gup h LEU 160 N 1.92 0.08 1.12 3.17 5.85 -1.94 -3.42 115.31 122.09 2gup h LEU 160 Ca -0.46 -0.02 -0.40 0.00 0.84 0.00 0.00 57.88 57.84 2gup h LEU 160 Cb 1.24 -0.02 0.04 0.00 0.37 0.00 0.00 40.66 42.28 2gup h LEU 160 CO 0.60 0.32 -0.59 0.59 -0.34 0.00 0.00 178.44 179.01 2gup n ASN 161 N -4.23 -5.79 -4.78 1.25 3.02 -1.26 -3.84 115.26 99.64 2gup n ASN 161 Ca -0.02 -0.27 -0.33 0.00 -0.03 0.00 0.00 54.58 53.93 2gup n ASN 161 Cb 0.31 -4.70 0.04 0.00 -0.61 0.00 0.00 39.78 34.82 2gup n ASN 161 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2gup s ASN 162 N -2.65 5.18 0.27 6.41 4.22 -1.26 -3.29 114.94 123.82 2gup s ASN 162 Ca 0.29 1.95 -0.01 0.00 -2.14 0.00 0.00 52.86 52.95 2gup s ASN 162 Cb -0.13 -2.54 0.58 0.00 1.28 0.00 0.00 41.25 40.43 2gup s ASN 162 CO 0.36 -1.58 1.69 -0.25 -2.04 0.00 0.00 177.10 175.27 2gup h TRP 163 N -0.00 0.42 -0.85 1.54 7.01 -1.79 -0.97 115.95 121.31 2gup h TRP 163 Ca -0.46 0.04 0.15 0.00 2.11 0.00 0.00 58.89 60.72 2gup h TRP 163 Cb 1.24 -0.06 -0.09 0.00 -2.10 0.00 0.00 29.16 28.15 2gup h TRP 163 CO 0.56 -0.08 0.43 0.77 -2.79 0.00 0.00 178.44 177.33 2gup h SER 164 N 0.32 0.52 0.14 2.65 0.02 -1.70 0.30 113.55 115.80 2gup h SER 164 Ca 0.48 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.45 2gup h SER 164 Cb 0.87 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 2gup h SER 164 CO -0.53 0.22 -0.25 1.56 -1.14 0.00 0.00 176.83 176.69 2gup h GLN 165 N 0.62 0.19 0.00 3.45 4.20 -1.46 -3.18 115.11 118.94 2gup h GLN 165 Ca 0.46 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 59.05 2gup h GLN 165 Cb 0.65 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 2gup h GLN 165 CO -0.36 0.44 -1.86 1.28 -0.67 0.00 0.00 178.83 177.66 2gup n LEU 166 N -4.18 0.00 0.00 1.46 4.77 -0.13 -4.68 117.00 114.24 2gup n LEU 166 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2gup n LEU 166 Cb 0.35 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2gup n LEU 166 CO 0.39 0.08 0.33 0.00 -1.33 0.00 0.00 177.39 176.87 2gup n ALA 167 N -2.21 2.03 -2.07 -1.18 0.00 0.88 -4.87 120.51 113.09 2gup n ALA 167 Ca -0.08 -0.66 -0.27 0.00 0.00 0.00 0.00 53.44 52.43 2gup n ALA 167 Cb 0.57 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.06 2gup n ALA 167 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2gup s SER 168 N -0.40 5.60 0.21 0.00 1.04 -1.20 -4.78 113.70 114.17 2gup s SER 168 Ca 0.00 0.76 -0.09 0.00 0.48 0.00 0.00 55.95 57.10 2gup s SER 168 Cb 0.00 -1.74 0.15 0.00 0.10 0.00 0.00 66.02 64.53 2gup s SER 168 CO 0.00 -1.07 1.79 0.74 0.98 0.00 0.00 173.24 175.68 2gup h THR 169 N -0.20 1.25 -0.54 2.02 2.02 -1.46 -3.12 112.91 112.88 2gup h THR 169 Ca -0.45 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 2gup h THR 169 Cb 1.25 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 2gup h THR 169 CO 0.61 0.30 0.28 1.23 0.37 0.00 0.00 175.52 178.31 2gup h GLY 170 N 1.09 0.80 -2.96 2.16 0.00 -1.49 0.28 103.07 102.95 2gup h GLY 170 Ca 0.26 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 2gup h GLY 170 CO -0.03 0.34 0.17 0.70 0.00 0.00 0.00 176.54 177.72 2gup n ASN 171 N -4.39 5.02 0.00 0.19 3.02 -1.18 -0.37 115.26 117.55 2gup n ASN 171 Ca 0.05 -2.59 0.00 0.00 -0.03 0.00 0.00 54.58 52.01 2gup n ASN 171 Cb 0.11 -0.94 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 2gup n ASN 171 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2gup n VAL 173 N 0.74 0.00 -0.04 2.41 0.31 0.09 -2.01 118.33 119.83 2gup n VAL 173 Ca 0.13 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.52 2gup n VAL 173 Cb 0.60 0.00 0.43 0.00 -0.91 0.00 0.00 33.84 33.96 2gup n VAL 173 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2gup h ARG 174 N 0.00 0.53 -0.04 5.55 -0.00 -0.96 0.78 114.38 120.24 2gup h ARG 174 Ca 0.00 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.98 59.29 2gup h ARG 174 Cb 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 29.97 29.86 2gup h ARG 174 CO 0.00 0.35 -0.58 -0.92 0.00 0.00 0.00 179.97 178.83 2gup h TYR 175 N 0.55 0.66 -0.42 3.04 3.20 -1.66 -1.87 116.97 120.48 2gup h TYR 175 Ca 0.20 -0.33 -0.11 0.00 3.14 0.00 0.00 58.73 61.63 2gup h TYR 175 Cb 0.12 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2gup h TYR 175 CO -0.00 1.13 -0.17 0.28 -1.64 0.00 0.00 178.16 177.76 2gup h VAL 176 N 0.01 1.27 -0.09 1.81 2.07 -1.75 -2.60 116.25 116.97 2gup h VAL 176 Ca -0.06 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.22 2gup h VAL 176 Cb 1.26 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 2gup h VAL 176 CO 0.12 0.43 -0.05 0.40 0.02 0.00 0.00 177.57 178.49 2gup h ILE 177 N 0.71 0.84 -0.71 4.57 2.04 -0.81 0.13 117.51 124.28 2gup h ILE 177 Ca 0.11 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.99 2gup h ILE 177 Cb 0.67 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 2gup h ILE 177 CO 0.05 0.00 0.47 -0.33 0.00 0.00 0.00 178.15 178.34 2gup h GLU 178 N -0.04 0.88 0.06 2.37 5.08 -1.26 -1.73 114.58 119.94 2gup h GLU 178 Ca 0.05 -0.05 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 2gup h GLU 178 Cb 0.12 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2gup h GLU 178 CO -0.12 0.58 -2.05 1.63 -1.00 0.00 0.00 179.01 178.06 2gup n LYS 179 N -4.44 0.71 0.29 2.33 4.76 -0.99 -3.92 118.16 116.89 2gup n LYS 179 Ca 0.08 0.23 0.17 0.00 -2.87 0.00 0.00 58.31 55.92 2gup n LYS 179 Cb 0.08 -1.68 0.86 0.00 -1.84 0.00 0.00 35.03 32.45 2gup n LYS 179 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2gup h SER 180 N 0.04 0.00 0.00 4.39 4.64 -0.73 -3.46 113.55 118.43 2gup h SER 180 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2gup h SER 180 Cb 2.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 2gup h SER 180 CO 0.05 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 2gup n GLY 181 N -0.62 0.88 3.28 -0.77 0.00 -0.66 -5.03 105.19 102.27 2gup n GLY 181 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2gup n GLY 181 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2gup s HIS 182 N -3.51 0.59 -1.54 1.61 -3.43 -1.20 -5.03 115.29 102.79 2gup s HIS 182 Ca 0.00 -0.95 0.18 0.00 -0.80 0.00 0.00 55.06 53.49 2gup s HIS 182 Cb 0.00 -0.21 0.55 0.00 -1.43 0.00 0.00 32.58 31.48 2gup s HIS 182 CO 0.00 -0.66 1.46 0.25 -2.00 0.00 0.00 174.74 173.78 2gup n THR 183 N -0.19 1.09 -2.77 -5.38 -2.24 -1.26 -4.44 114.28 99.09 2gup n THR 183 Ca -0.06 -1.03 -0.43 0.00 -2.27 0.00 0.00 64.05 60.25 2gup n THR 183 Cb 0.63 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2gup n THR 183 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2gup n ASP 184 N 1.21 5.27 -3.86 3.42 2.03 -1.26 -4.90 116.55 118.47 2gup n ASP 184 Ca 0.21 -3.05 -0.11 0.00 0.52 0.00 0.00 54.79 52.35 2gup n ASP 184 Cb 0.59 -1.51 -0.10 0.00 -0.72 0.00 0.00 41.12 39.38 2gup n ASP 184 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 2gup s TRP 185 N 0.70 0.01 0.33 -0.67 0.52 -1.26 -5.07 118.94 113.49 2gup s TRP 185 Ca 0.40 -0.07 0.01 0.00 0.02 0.00 0.00 56.10 56.46 2gup s TRP 185 Cb 0.01 -0.03 -0.00 0.00 -1.15 0.00 0.00 33.47 32.31 2gup s TRP 185 CO 0.00 -0.30 0.41 -0.40 0.02 0.00 0.00 176.95 176.69 2gup n ASP 186 N 1.46 -1.13 -0.30 2.95 5.68 -1.26 -5.02 116.55 118.92 2gup n ASP 186 Ca -0.22 -2.86 -0.04 0.00 -0.50 0.00 0.00 54.79 51.17 2gup n ASP 186 Cb 0.56 2.20 0.07 0.00 -1.14 0.00 0.00 41.12 42.81 2gup n ASP 186 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2gup h GLY 187 N 1.88 1.20 1.69 6.12 0.00 -2.00 -0.96 103.07 111.01 2gup h GLY 187 Ca -0.25 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 46.47 2gup h GLY 187 CO 0.34 0.49 -0.35 -0.09 0.00 0.00 0.00 176.54 176.93 2gup h ARG 188 N 1.13 0.35 -0.20 4.80 9.65 -1.99 -2.46 114.38 125.66 2gup h ARG 188 Ca 0.30 -0.15 -0.17 0.00 -1.10 0.00 0.00 59.98 58.85 2gup h ARG 188 Cb -0.03 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.53 2gup h ARG 188 CO -0.05 0.67 -0.56 -0.22 2.80 0.00 0.00 179.97 182.60 2gup h LYS 189 N 0.30 0.61 -0.76 0.20 3.64 -1.86 -2.82 116.57 115.88 2gup h LYS 189 Ca 0.03 -0.39 0.08 0.00 -1.27 0.00 0.00 60.65 59.11 2gup h LYS 189 Cb 0.77 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.57 2gup h LYS 189 CO 0.06 1.00 0.42 0.82 -2.27 0.00 0.00 179.45 179.48 2gup h ILE 190 N 0.46 0.92 -0.75 2.00 2.04 -0.90 -0.07 117.51 121.21 2gup h ILE 190 Ca 0.01 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 2gup h ILE 190 Cb 1.12 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 2gup h ILE 190 CO 0.11 0.13 0.45 1.88 0.00 0.00 0.00 178.15 180.72 2gup h TYR 191 N 0.73 1.00 -0.19 1.37 -1.99 -1.37 -0.87 116.97 115.65 2gup h TYR 191 Ca 0.36 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.04 2gup h TYR 191 Cb 0.31 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 2gup h TYR 191 CO -0.08 0.67 -0.04 1.96 -0.00 0.00 0.00 178.16 180.68 2gup h GLN 192 N 1.03 0.36 -0.56 4.88 4.20 -1.14 -1.86 115.11 122.03 2gup h GLN 192 Ca 0.27 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 2gup h GLN 192 Cb -0.03 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2gup h GLN 192 CO -0.05 0.61 0.11 0.93 -0.67 0.00 0.00 178.83 179.75 2gup h GLU 193 N 0.09 0.87 -0.63 1.46 4.39 -1.00 -1.73 114.58 118.03 2gup h GLU 193 Ca 0.05 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.47 2gup h GLU 193 Cb 0.47 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 2gup h GLU 193 CO 0.02 0.80 0.08 0.00 -1.16 0.00 0.00 179.01 178.75 2gup h ALA 194 N 1.28 0.96 0.00 3.43 0.00 -1.09 -0.27 119.26 123.57 2gup h ALA 194 Ca 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2gup h ALA 194 Cb 0.35 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2gup h ALA 194 CO 0.00 0.65 -0.11 0.00 0.00 0.00 0.00 179.25 179.79 2gup h ALA 195 N 1.11 1.49 -0.02 0.00 0.00 -0.76 -2.77 119.26 118.30 2gup h ALA 195 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2gup h ALA 195 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2gup h ALA 195 CO 0.01 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.41 2gup n ALA 196 N -2.37 2.59 0.00 0.00 0.00 -0.53 -4.89 120.51 115.31 2gup n ALA 196 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2gup n ALA 196 Cb 0.21 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2gup n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gup n GLY 197 N 1.14 2.12 3.56 0.00 0.00 -1.04 -5.06 105.19 105.91 2gup n GLY 197 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 2gup n GLY 197 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2gup n ASN 198 N 0.00 2.78 -0.27 1.61 2.85 -0.22 -4.88 115.26 117.13 2gup n ASN 198 Ca 0.00 0.10 -0.06 0.00 -0.11 0.00 0.00 54.58 54.51 2gup n ASN 198 Cb 0.00 -1.49 0.06 0.00 1.24 0.00 0.00 39.78 39.59 2gup n ASN 198 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 2gup h ILE 199 N 7.28 1.23 -0.23 -1.44 1.08 -1.91 -2.51 117.51 121.01 2gup h ILE 199 Ca -0.34 -0.58 -0.11 0.00 -0.39 0.00 0.00 64.86 63.44 2gup h ILE 199 Cb 1.26 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 2gup h ILE 199 CO 1.02 0.25 -0.32 0.25 -0.69 0.00 0.00 178.15 178.67 2gup h LEU 200 N 1.01 0.48 -0.15 1.44 5.85 -1.98 -1.95 115.31 120.02 2gup h LEU 200 Ca 0.26 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2gup h LEU 200 Cb 0.05 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2gup h LEU 200 CO -0.04 0.78 0.02 0.00 -0.34 0.00 0.00 178.44 178.85 2gup h GLN 202 N 0.02 0.24 -0.17 0.00 4.20 -1.07 -1.09 115.11 117.24 2gup h GLN 202 Ca 0.04 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.53 2gup h GLN 202 Cb 0.33 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.06 2gup h GLN 202 CO 0.00 0.16 -0.72 0.93 -0.67 0.00 0.00 178.83 178.54 2gup h GLU 203 N 0.25 0.80 -0.62 1.46 5.08 -1.30 -1.92 114.58 118.32 2gup h GLU 203 Ca 0.44 -0.62 0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2gup h GLU 203 Cb 0.78 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 30.09 2gup h GLU 203 CO -0.55 1.23 0.26 0.00 -1.00 0.00 0.00 179.01 178.95 2gup h ALA 204 N 0.57 0.82 -0.62 3.43 0.00 -0.84 -1.86 119.26 120.75 2gup h ALA 204 Ca -0.04 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2gup h ALA 204 Cb 1.35 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 2gup h ALA 204 CO 0.15 -0.15 0.12 0.82 0.00 0.00 0.00 179.25 180.19 2gup h ILE 205 N 0.46 1.25 -0.14 0.00 2.04 -1.10 -3.06 117.51 116.96 2gup h ILE 205 Ca 0.31 -0.96 -0.19 0.00 1.00 0.00 0.00 64.86 65.03 2gup h ILE 205 Cb 0.36 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2gup h ILE 205 CO -0.29 0.36 -0.68 -0.08 0.00 0.00 0.00 178.15 177.46 2gup h GLU 206 N 0.95 0.56 -0.96 2.37 4.22 -1.06 -0.44 114.58 120.22 2gup h GLU 206 Ca 0.20 -0.42 0.00 0.00 0.08 0.00 0.00 59.36 59.21 2gup h GLU 206 Cb 0.38 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2gup h GLU 206 CO 0.01 1.04 0.00 0.54 -2.18 0.00 0.00 179.01 178.42 2gup n ARG 207 N -3.90 0.51 0.00 1.92 1.74 -0.72 -1.96 116.66 114.24 2gup n ARG 207 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2gup n ARG 207 Cb 0.68 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.87 2gup n ARG 207 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2gup n ASN 209 N 0.48 0.00 -0.04 0.55 5.03 -0.17 -1.68 115.26 119.42 2gup n ASN 209 Ca 0.00 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.35 2gup n ASN 209 Cb 0.18 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 38.99 2gup n ASN 209 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 2gup h ARG 210 N 0.00 0.69 -0.26 3.52 2.43 -1.64 -0.09 114.38 119.03 2gup h ARG 210 Ca 0.00 -0.39 -0.19 0.00 -0.81 0.00 0.00 59.98 58.59 2gup h ARG 210 Cb 0.00 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2gup h ARG 210 CO 0.00 1.01 -0.58 -0.91 -1.51 0.00 0.00 179.97 177.98 2gup h ASN 211 N 0.55 0.92 -0.08 -3.80 2.35 -1.59 -2.65 115.58 111.28 2gup h ASN 211 Ca 0.03 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 2gup h ASN 211 Cb 1.02 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 2gup h ASN 211 CO 0.10 1.29 0.05 -0.07 -1.65 0.00 0.00 177.43 177.15 2gup h LEU 212 N 0.62 0.09 -1.77 1.61 3.38 -1.79 -2.68 115.31 114.77 2gup h LEU 212 Ca 0.01 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2gup h LEU 212 Cb 1.18 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2gup h LEU 212 CO 0.12 0.06 0.20 0.00 0.09 0.00 0.00 178.44 178.92 2gup h ALA 213 N 1.03 1.91 -0.08 1.53 0.00 -0.96 0.21 119.26 122.90 2gup h ALA 213 Ca 0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2gup h ALA 213 Cb -0.01 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2gup h ALA 213 CO -0.01 0.05 -0.51 0.37 0.00 0.00 0.00 179.25 179.16 2gup h GLN 214 N 0.30 0.48 -0.11 0.00 4.15 -1.38 -2.56 115.11 115.99 2gup h GLN 214 Ca 0.12 -0.41 -0.18 0.00 0.77 0.00 0.00 58.65 58.95 2gup h GLN 214 Cb 0.12 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2gup h GLN 214 CO -0.03 1.05 -0.67 0.78 -1.93 0.00 0.00 178.83 178.03 2gup h GLY 215 N 0.04 0.48 1.23 2.39 0.00 -1.07 -2.83 103.07 103.31 2gup h GLY 215 Ca -0.04 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 46.57 2gup h GLY 215 CO 0.10 0.57 0.04 1.41 0.00 0.00 0.00 176.54 178.66 2gup h LEU 216 N 0.31 0.91 -1.54 3.11 3.38 -0.43 -2.00 115.31 119.04 2gup h LEU 216 Ca -0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2gup h LEU 216 Cb 1.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2gup h LEU 216 CO 0.12 0.94 0.01 -0.07 0.09 0.00 0.00 178.44 179.53 2gup h LEU 217 N 0.88 0.27 -0.57 1.67 3.38 -1.51 -1.09 115.31 118.34 2gup h LEU 217 Ca 0.17 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2gup h LEU 217 Cb 0.46 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2gup h LEU 217 CO 0.02 0.32 0.18 0.78 0.09 0.00 0.00 178.44 179.82 2gup h ASN 218 N 0.30 0.83 -0.07 -0.43 2.35 -1.11 -1.82 115.58 115.63 2gup h ASN 218 Ca 0.07 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 2gup h ASN 218 Cb 0.19 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 2gup h ASN 218 CO 0.00 0.82 0.01 0.40 -1.65 0.00 0.00 177.43 177.01 2gup h ILE 219 N 0.80 1.23 -0.37 2.81 2.04 -1.29 0.10 117.51 122.84 2gup h ILE 219 Ca 0.18 -0.72 0.06 0.00 1.00 0.00 0.00 64.86 65.39 2gup h ILE 219 Cb 0.29 1.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.89 2gup h ILE 219 CO -0.01 0.20 0.03 -0.61 0.00 0.00 0.00 178.15 177.76 2gup h GLN 220 N -0.14 0.13 0.00 2.37 5.75 -1.17 -0.55 115.11 121.51 2gup h GLN 220 Ca 0.02 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2gup h GLN 220 Cb 0.31 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.83 2gup h GLN 220 CO 0.00 0.09 -0.06 0.66 -2.65 0.00 0.00 178.83 176.87 2gup n TYR 221 N -5.15 0.70 -0.03 3.99 4.01 -0.69 -1.36 117.16 118.63 2gup n TYR 221 Ca 0.02 0.20 -0.21 0.00 -0.16 0.00 0.00 57.90 57.75 2gup n TYR 221 Cb 0.18 -0.82 -0.13 0.00 -0.31 0.00 0.00 39.34 38.26 2gup n TYR 221 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2gup n LEU 222 N -2.08 2.64 -0.00 7.72 4.32 0.34 -4.65 117.00 125.29 2gup n LEU 222 Ca 0.06 0.16 0.03 0.00 -0.02 0.00 0.00 56.01 56.24 2gup n LEU 222 Cb 0.41 -1.06 -0.05 0.00 -1.62 0.00 0.00 43.42 41.10 2gup n LEU 222 CO 0.30 0.83 -0.25 2.30 -1.22 0.00 0.00 177.39 179.35 2gup n ILE 223 N -3.52 0.00 -3.55 -0.08 -5.35 -0.27 -5.06 119.36 101.54 2gup n ILE 223 Ca -0.35 -0.26 -0.20 0.00 -0.27 0.00 0.00 62.75 61.66 2gup n ILE 223 Cb 1.01 0.73 0.02 0.00 -1.74 0.00 0.00 39.64 39.65 2gup n ILE 223 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2gup n ASP 224 N -1.41 -5.87 -4.81 7.28 2.03 -0.46 -4.97 116.55 108.34 2gup n ASP 224 Ca 0.00 -0.73 -0.33 0.00 0.52 0.00 0.00 54.79 54.25 2gup n ASP 224 Cb 0.14 -3.33 -0.01 0.00 -0.72 0.00 0.00 41.12 37.20 2gup n ASP 224 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2gup s PRO 225 N -4.80 3.54 0.33 -0.67 0.04 -1.26 -4.98 135.00 127.20 2gup s PRO 225 Ca 0.18 1.21 0.02 0.00 0.04 0.00 0.00 61.00 62.46 2gup s PRO 225 Cb -0.07 -2.06 0.58 0.00 0.04 0.00 0.00 34.50 32.99 2gup s PRO 225 CO 0.84 -0.63 1.93 0.78 0.04 0.00 0.00 177.00 179.96 2gup h GLY 226 N 0.82 0.77 -4.83 0.56 0.00 -0.77 -3.46 103.07 96.17 2gup h GLY 226 Ca -0.48 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 46.34 2gup h GLY 226 CO 0.58 0.36 -0.43 0.54 0.00 0.00 0.00 176.54 177.59 2gup s VAL 227 N -5.35 0.06 -0.24 4.60 0.11 -1.24 -4.48 120.40 113.86 2gup s VAL 227 Ca -0.09 -0.49 -0.05 0.00 -2.93 0.00 0.00 61.98 58.42 2gup s VAL 227 Cb 0.16 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.55 2gup s VAL 227 CO 0.77 -0.27 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.64 2gup s ILE 228 N -1.05 3.61 -0.03 7.04 1.01 0.21 -2.25 121.20 129.74 2gup s ILE 228 Ca -0.11 -0.47 -0.17 0.00 0.00 0.00 0.00 60.65 59.90 2gup s ILE 228 Cb -0.06 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 2gup s ILE 228 CO 0.02 0.36 0.45 -0.44 0.00 0.00 0.00 174.94 175.33 2gup s SER 229 N 1.50 6.80 -0.17 3.58 0.01 -0.49 -1.49 113.70 123.45 2gup s SER 229 Ca 0.05 0.95 -0.06 0.00 1.31 0.00 0.00 55.95 58.20 2gup s SER 229 Cb -0.15 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2gup s SER 229 CO -0.01 0.20 0.03 -0.76 0.41 0.00 0.00 173.24 173.11 2gup s LEU 230 N -0.48 3.63 0.00 2.44 1.43 -0.05 -0.80 118.68 124.84 2gup s LEU 230 Ca 0.25 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 2gup s LEU 230 Cb -0.16 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 2gup s LEU 230 CO 0.13 0.18 0.02 0.61 0.23 0.00 0.00 176.35 177.52 2gup n GLY 231 N 3.51 3.86 0.00 -3.19 0.00 0.12 0.96 105.19 110.45 2gup n GLY 231 Ca -0.17 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.67 2gup n GLY 231 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gup n GLY 232 N 1.93 -0.47 0.28 -0.02 0.00 -1.26 -0.62 105.19 105.03 2gup n GLY 232 Ca -0.07 -1.69 0.05 0.00 0.00 0.00 0.00 46.02 44.32 2gup n GLY 232 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2gup h SER 233 N 0.00 0.25 0.53 1.61 0.87 -1.98 -2.08 113.55 112.75 2gup h SER 233 Ca 0.00 0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2gup h SER 233 Cb 0.00 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2gup h SER 233 CO 0.00 0.09 -0.24 -0.29 -0.53 0.00 0.00 176.83 175.86 2gup h ILE 234 N 0.42 0.79 0.00 2.23 2.10 -1.85 -2.54 117.51 118.66 2gup h ILE 234 Ca 0.41 -0.96 0.00 0.00 1.08 0.00 0.00 64.86 65.40 2gup h ILE 234 Cb 0.64 1.58 0.00 0.00 -1.09 0.00 0.00 36.82 37.95 2gup h ILE 234 CO -0.41 0.23 0.00 0.77 -1.08 0.00 0.00 178.15 177.66 2gup h SER 235 N 0.00 0.00 0.11 2.19 4.64 -1.57 -1.28 113.55 117.64 2gup h SER 235 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gup h SER 235 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2gup h SER 235 CO 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 2gup n GLN 236 N -3.05 0.22 -3.76 4.77 1.13 -0.96 -4.64 117.38 111.09 2gup n GLN 236 Ca 0.01 0.11 -0.37 0.00 -1.94 0.00 0.00 57.00 54.81 2gup n GLN 236 Cb 0.31 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 29.03 2gup n GLN 236 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2gup s ASN 237 N -2.33 5.08 0.52 1.08 3.84 -0.48 -4.99 114.94 117.65 2gup s ASN 237 Ca 0.12 -0.47 0.28 0.00 0.21 0.00 0.00 52.86 53.00 2gup s ASN 237 Cb 0.07 -1.89 1.45 0.00 -0.55 0.00 0.00 41.25 40.32 2gup s ASN 237 CO 0.14 -0.11 2.06 -0.65 -2.79 0.00 0.00 177.10 175.75 2gup h PRO 238 N 8.23 0.00 -0.31 0.43 0.11 -1.87 -1.41 132.00 137.18 2gup h PRO 238 Ca -0.35 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 2gup h PRO 238 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2gup h PRO 238 CO 0.60 0.12 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.03 2gup h ASP 239 N 0.00 0.57 -0.32 -2.05 3.32 -1.95 -0.25 116.42 115.74 2gup h ASP 239 Ca -0.00 -0.33 0.04 0.00 0.02 0.00 0.00 57.03 56.76 2gup h ASP 239 Cb 0.35 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 2gup h ASP 239 CO 0.02 0.77 0.08 0.15 -1.72 0.00 0.00 179.24 178.53 2gup h PHE 240 N 0.36 0.14 -0.78 4.55 3.57 -1.57 -1.63 116.94 121.58 2gup h PHE 240 Ca 0.09 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 2gup h PHE 240 Cb 0.49 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 2gup h PHE 240 CO 0.04 0.04 0.39 0.82 -2.23 0.00 0.00 178.31 177.37 2gup h ILE 241 N 0.20 1.24 -0.24 1.41 1.08 -1.24 -1.46 117.51 118.51 2gup h ILE 241 Ca 0.15 -0.67 -0.10 0.00 -0.39 0.00 0.00 64.86 63.85 2gup h ILE 241 Cb 0.15 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.14 2gup h ILE 241 CO -0.18 0.29 -0.29 1.56 -0.69 0.00 0.00 178.15 178.83 2gup h GLN 242 N 1.09 0.47 -0.44 2.37 1.08 -0.89 -2.01 115.11 116.78 2gup h GLN 242 Ca 0.27 -0.19 -0.13 0.00 -1.45 0.00 0.00 58.65 57.15 2gup h GLN 242 Cb 0.10 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2gup h GLN 242 CO -0.04 0.72 -0.24 0.78 -0.95 0.00 0.00 178.83 179.10 2gup h GLY 243 N 1.04 0.98 1.07 3.46 0.00 -0.83 -1.94 103.07 106.86 2gup h GLY 243 Ca 0.05 -0.87 -0.10 0.00 0.00 0.00 0.00 47.33 46.41 2gup h GLY 243 CO 0.05 0.80 -0.03 -2.08 0.00 0.00 0.00 176.54 175.28 2gup h VAL 244 N 0.78 1.27 -0.54 4.60 2.07 -0.81 -1.44 116.25 122.17 2gup h VAL 244 Ca 0.10 -1.18 -0.12 0.00 0.82 0.00 0.00 66.70 66.32 2gup h VAL 244 Cb 0.79 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2gup h VAL 244 CO 0.07 0.42 -0.12 0.11 0.02 0.00 0.00 177.57 178.07 2gup h LYS 245 N 0.92 1.04 -0.39 1.57 1.57 -1.14 -1.80 116.57 118.34 2gup h LYS 245 Ca 0.16 -0.39 -0.08 0.00 -1.87 0.00 0.00 60.65 58.47 2gup h LYS 245 Cb 0.59 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2gup h LYS 245 CO 0.04 1.09 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.71 2gup h LYS 246 N 0.92 0.66 -0.18 3.15 1.63 -1.27 -0.75 116.57 120.73 2gup h LYS 246 Ca 0.14 -0.19 -0.11 0.00 -0.85 0.00 0.00 60.65 59.63 2gup h LYS 246 Cb 0.70 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 2gup h LYS 246 CO 0.05 0.73 -0.38 0.00 -3.45 0.00 0.00 179.45 176.40 2gup h ALA 247 N 1.31 1.01 -0.09 5.00 0.00 -0.60 -1.71 119.26 124.19 2gup h ALA 247 Ca 0.11 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2gup h ALA 247 Cb 0.50 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2gup h ALA 247 CO 0.03 0.60 -0.01 0.28 0.00 0.00 0.00 179.25 180.15 2gup h VAL 248 N 0.34 1.27 -0.75 0.00 2.07 -1.19 -2.78 116.25 115.20 2gup h VAL 248 Ca 0.03 -0.85 0.13 0.00 0.82 0.00 0.00 66.70 66.84 2gup h VAL 248 Cb 0.82 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.21 2gup h VAL 248 CO 0.07 0.24 0.50 -0.08 0.02 0.00 0.00 177.57 178.31 2gup h GLU 249 N -0.14 0.46 -0.10 1.57 4.81 -0.82 -1.84 114.58 118.52 2gup h GLU 249 Ca 0.02 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 2gup h GLU 249 Cb 0.38 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2gup h GLU 249 CO 0.01 0.30 -0.65 -0.44 -0.73 0.00 0.00 179.01 177.50 2gup h ASP 250 N 0.47 0.44 -0.31 1.04 3.32 -1.14 -1.36 116.42 118.89 2gup h ASP 250 Ca 0.36 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 2gup h ASP 250 Cb 0.74 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 2gup h ASP 250 CO -0.12 0.97 0.09 -0.26 -1.72 0.00 0.00 179.24 178.19 2gup h PHE 251 N 0.28 0.51 -0.23 4.55 0.04 -1.09 -2.64 116.94 118.35 2gup h PHE 251 Ca -0.01 -0.06 0.03 0.00 2.80 0.00 0.00 57.97 60.73 2gup h PHE 251 Cb 1.19 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 39.17 2gup h PHE 251 CO 0.04 0.53 0.06 0.28 -0.60 0.00 0.00 178.31 178.61 2gup h VAL 252 N 0.34 0.92 -0.13 -0.55 2.07 -1.30 -1.51 116.25 116.08 2gup h VAL 252 Ca 0.10 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 2gup h VAL 252 Cb 0.27 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2gup h VAL 252 CO -0.00 0.03 -0.24 0.44 0.02 0.00 0.00 177.57 177.81 2gup h ASP 253 N 0.15 0.22 1.45 0.57 3.32 -1.32 -2.96 116.42 117.86 2gup h ASP 253 Ca 0.10 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 2gup h ASP 253 Cb 0.09 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2gup h ASP 253 CO -0.12 0.48 -0.54 0.00 -1.72 0.00 0.00 179.24 177.34 2gup h ALA 254 N 1.55 0.65 -3.11 3.45 0.00 -1.13 -3.44 119.26 117.23 2gup h ALA 254 Ca 0.03 -0.49 -0.67 0.00 0.00 0.00 0.00 54.91 53.78 2gup h ALA 254 Cb 0.55 -0.09 -0.35 0.00 0.00 0.00 0.00 17.79 17.91 2gup h ALA 254 CO 0.04 0.67 -0.86 0.71 0.00 0.00 0.00 179.25 179.81 2gup s TYR 255 N -2.95 2.74 0.33 0.00 1.51 -0.60 -4.97 117.35 113.41 2gup s TYR 255 Ca 0.04 -1.53 0.09 0.00 -1.01 0.00 0.00 57.07 54.65 2gup s TYR 255 Cb 0.08 -1.88 0.57 0.00 -0.11 0.00 0.00 41.96 40.62 2gup s TYR 255 CO 0.75 -0.74 1.76 1.49 -1.11 0.00 0.00 175.55 177.71 2gup h GLU 256 N 7.71 0.16 -1.00 -0.62 4.57 -1.86 -1.60 114.58 121.95 2gup h GLU 256 Ca -0.41 -0.07 0.33 0.00 -1.18 0.00 0.00 59.36 58.03 2gup h GLU 256 Cb 1.16 -0.01 -0.18 0.00 -0.16 0.00 0.00 28.75 29.56 2gup h GLU 256 CO 0.61 0.51 0.21 0.39 -1.18 0.00 0.00 179.01 179.55 2gup n GLU 257 N -4.07 -0.07 -2.65 1.92 4.71 -1.26 -4.55 120.64 114.67 2gup n GLU 257 Ca -0.01 1.45 -0.42 0.00 -0.01 0.00 0.00 57.16 58.16 2gup n GLU 257 Cb 0.43 -2.41 -0.03 0.00 -1.01 0.00 0.00 31.44 28.43 2gup n GLU 257 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2gup s TYR 258 N -5.82 3.47 0.00 -0.32 4.12 -0.60 -4.96 117.35 113.24 2gup s TYR 258 Ca -0.11 1.53 0.00 0.00 0.02 0.00 0.00 57.07 58.51 2gup s TYR 258 Cb 0.31 -3.23 0.00 0.00 -1.52 0.00 0.00 41.96 37.52 2gup s TYR 258 CO 0.78 -0.41 0.00 -2.37 0.02 0.00 0.00 175.55 173.57 2gup n THR 259 N 4.48 0.00 -2.09 -0.71 5.66 -1.26 -4.92 114.28 115.45 2gup n THR 259 Ca 0.09 0.13 -0.41 0.00 -3.05 0.00 0.00 64.05 60.81 2gup n THR 259 Cb 0.48 -1.03 -0.02 0.00 -1.55 0.00 0.00 70.33 68.21 2gup n THR 259 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2gup s VAL 260 N -0.63 2.77 -0.04 1.08 -7.23 -1.26 -5.06 120.40 110.04 2gup s VAL 260 Ca 0.00 0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 60.83 2gup s VAL 260 Cb 0.00 -3.44 -0.04 0.00 0.56 0.00 0.00 36.38 33.46 2gup s VAL 260 CO 0.00 0.13 0.16 0.00 -0.31 0.00 0.00 175.10 175.08 2gup s ALA 261 N -0.47 3.88 0.36 1.32 0.00 -1.26 -5.07 121.76 120.54 2gup s ALA 261 Ca 0.54 -0.74 -0.28 0.00 0.00 0.00 0.00 51.96 51.48 2gup s ALA 261 Cb -0.40 -1.86 -0.12 0.00 0.00 0.00 0.00 23.12 20.74 2gup s ALA 261 CO 0.47 0.71 1.37 -0.35 0.00 0.00 0.00 175.76 177.95 2gup n PRO 262 N 1.25 2.34 -2.59 0.00 -0.04 -1.26 -4.97 135.00 129.74 2gup n PRO 262 Ca -0.14 0.82 -0.43 0.00 -0.04 0.00 0.00 63.50 63.72 2gup n PRO 262 Cb 0.53 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.49 2gup n PRO 262 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2gup s VAL 263 N -1.11 4.57 -0.05 0.52 0.11 -1.26 -4.98 120.40 118.19 2gup s VAL 263 Ca 0.55 1.87 0.04 0.00 -2.93 0.00 0.00 61.98 61.51 2gup s VAL 263 Cb -0.52 -4.20 -0.02 0.00 -1.53 0.00 0.00 36.38 30.10 2gup s VAL 263 CO 0.63 -0.08 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.52 2gup s ILE 264 N 2.65 2.80 0.07 7.04 1.01 -1.26 0.63 121.20 134.14 2gup s ILE 264 Ca 0.50 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 60.19 2gup s ILE 264 Cb -0.19 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.22 2gup s ILE 264 CO 0.15 0.58 0.32 0.00 0.00 0.00 0.00 174.94 175.98 2gup s GLN 265 N -0.56 0.89 0.32 2.79 -2.07 -0.55 -4.96 119.66 115.52 2gup s GLN 265 Ca 0.08 -0.62 -0.29 0.00 -1.82 0.00 0.00 55.36 52.71 2gup s GLN 265 Cb -0.11 0.38 -0.10 0.00 -1.09 0.00 0.00 33.01 32.09 2gup s GLN 265 CO 0.01 -0.30 1.28 0.00 -1.32 0.00 0.00 175.29 174.96 2gup s ALA 266 N -3.07 3.49 0.30 2.60 0.00 -1.26 -0.87 121.76 122.94 2gup s ALA 266 Ca -0.01 1.21 -0.26 0.00 0.00 0.00 0.00 51.96 52.89 2gup s ALA 266 Cb 0.01 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.52 2gup s ALA 266 CO -0.07 -0.58 0.73 0.00 0.00 0.00 0.00 175.76 175.84 2gup h THR 268 N 1.36 1.27 -1.96 0.00 2.02 -1.94 -3.45 112.91 110.20 2gup h THR 268 Ca -0.36 -1.41 -0.56 0.00 0.77 0.00 0.00 66.41 64.85 2gup h THR 268 Cb 1.39 1.16 -0.09 0.00 -1.74 0.00 0.00 68.15 68.87 2gup h THR 268 CO 0.57 0.49 -0.58 -0.31 0.37 0.00 0.00 175.52 176.05 2gup s TYR 269 N -4.63 2.66 0.20 3.16 2.02 -1.26 -5.03 117.35 114.47 2gup s TYR 269 Ca -0.11 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 2gup s TYR 269 Cb 0.12 -1.50 0.00 0.00 -0.40 0.00 0.00 41.96 40.18 2gup s TYR 269 CO 0.87 0.44 0.00 1.58 -1.57 0.00 0.00 175.55 176.87 2gup n HIS 270 N -1.04 -2.19 -0.15 2.71 -0.00 -1.26 -4.72 115.22 108.57 2gup n HIS 270 Ca -0.04 0.47 -0.01 0.00 -0.00 0.00 0.00 57.72 58.14 2gup n HIS 270 Cb 0.61 1.18 0.23 0.00 -0.00 0.00 0.00 29.99 32.01 2gup n HIS 270 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2gup h ALA 271 N 0.00 1.33 -0.21 1.57 0.00 -1.99 -2.15 119.26 117.82 2gup h ALA 271 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2gup h ALA 271 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2gup h ALA 271 CO 0.00 0.51 0.00 -0.25 0.00 0.00 0.00 179.25 179.51 2gup n ASP 272 N -4.34 3.21 -0.25 0.00 8.00 -1.26 -4.70 116.55 117.21 2gup n ASP 272 Ca 0.05 -2.71 0.03 0.00 0.71 0.00 0.00 54.79 52.88 2gup n ASP 272 Cb 0.15 -0.40 0.26 0.00 -0.02 0.00 0.00 41.12 41.11 2gup n ASP 272 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gup h ALA 273 N 1.35 1.54 -0.39 2.24 0.00 -1.67 -1.44 119.26 120.88 2gup h ALA 273 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2gup h ALA 273 Cb 1.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2gup h ALA 273 CO 0.11 0.37 -0.10 -0.91 0.00 0.00 0.00 179.25 178.71 2gup h ASN 274 N 0.97 0.67 0.56 0.00 2.35 -1.84 0.24 115.58 118.54 2gup h ASN 274 Ca 0.34 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 2gup h ASN 274 Cb 0.11 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.30 2gup h ASN 274 CO -0.11 0.81 -0.27 -0.07 -1.65 0.00 0.00 177.43 176.14 2gup h LEU 275 N 0.63 -0.64 -0.53 1.61 3.38 -1.65 0.39 115.31 118.50 2gup h LEU 275 Ca 0.11 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2gup h LEU 275 Cb 0.54 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 2gup h LEU 275 CO 0.03 -0.35 0.25 1.88 0.09 0.00 0.00 178.44 180.34 2gup h TYR 276 N -0.92 0.45 -0.22 1.13 0.05 -1.30 -1.10 116.97 115.06 2gup h TYR 276 Ca -0.08 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.60 2gup h TYR 276 Cb 0.64 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 2gup h TYR 276 CO -0.01 0.20 -0.40 0.78 -1.05 0.00 0.00 178.16 177.68 2gup h GLY 277 N 0.48 0.57 1.13 3.88 0.00 -0.55 -0.91 103.07 107.67 2gup h GLY 277 Ca 0.24 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 2gup h GLY 277 CO -0.19 0.51 0.18 0.00 0.00 0.00 0.00 176.54 177.04 2gup h ALA 278 N 1.13 1.02 0.29 3.60 0.00 -0.44 -0.03 119.26 124.84 2gup h ALA 278 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2gup h ALA 278 Cb 0.89 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2gup h ALA 278 CO 0.08 0.64 -0.28 1.25 0.00 0.00 0.00 179.25 180.94 2gup h LEU 279 N 1.03 -0.76 -1.67 0.00 7.12 -0.98 -1.20 115.31 118.84 2gup h LEU 279 Ca 0.22 0.07 -0.02 0.00 0.13 0.00 0.00 57.88 58.28 2gup h LEU 279 Cb 0.34 0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.72 2gup h LEU 279 CO -0.00 -0.41 -0.02 0.58 -0.13 0.00 0.00 178.44 178.46 2gup h VAL 280 N -0.61 1.10 -0.45 1.05 2.07 -1.01 -1.64 116.25 116.77 2gup h VAL 280 Ca -0.01 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 2gup h VAL 280 Cb 0.55 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2gup h VAL 280 CO -0.05 0.12 0.02 -1.13 0.02 0.00 0.00 177.57 176.56 2gup h ASN 281 N 0.18 0.75 -0.16 0.57 -1.24 -0.65 -2.11 115.58 112.93 2gup h ASN 281 Ca 0.04 -0.29 0.01 0.00 0.71 0.00 0.00 56.30 56.77 2gup h ASN 281 Cb 0.15 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 2gup h ASN 281 CO 0.00 0.86 0.06 -0.25 -1.29 0.00 0.00 177.43 176.81 2gup h TRP 282 N 0.62 0.10 -0.66 0.67 7.01 -0.40 -1.69 115.95 121.61 2gup h TRP 282 Ca 0.13 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.09 2gup h TRP 282 Cb 0.46 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.47 2gup h TRP 282 CO 0.03 0.05 0.25 -0.07 -2.79 0.00 0.00 178.44 175.92 2gup h LEU 283 N 0.14 0.93 -0.78 0.65 3.38 -1.30 -1.50 115.31 116.83 2gup h LEU 283 Ca 0.07 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 2gup h LEU 283 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2gup h LEU 283 CO -0.07 0.86 0.05 1.56 0.09 0.00 0.00 178.44 180.94 2gup h GLN 284 N 0.94 0.98 0.00 1.13 4.20 -1.13 -0.39 115.11 120.84 2gup h GLN 284 Ca 0.22 -0.27 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 2gup h GLN 284 Cb 0.24 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2gup h GLN 284 CO -0.01 0.93 -0.43 0.93 -0.67 0.00 0.00 178.83 179.58 2gup h GLU 285 N 0.91 0.00 -0.09 1.46 4.39 -1.09 -2.66 114.58 117.50 2gup h GLU 285 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2gup h GLU 285 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2gup h GLU 285 CO 0.02 0.43 0.00 0.39 -1.16 0.00 0.00 179.01 178.68 2gup n GLU 286 N -3.57 1.74 -3.86 2.33 -0.58 -0.58 -4.96 120.64 111.17 2gup n GLU 286 Ca -0.00 -1.10 -0.28 0.00 -0.42 0.00 0.00 57.16 55.36 2gup n GLU 286 Cb 0.54 -1.44 0.03 0.00 -0.57 0.00 0.00 31.44 30.00 2gup n GLU 286 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2gup n LYS 287 N 0.32 -5.65 -0.95 3.49 5.02 -0.52 -4.88 118.16 114.99 2gup n LYS 287 Ca 0.18 0.62 -0.06 0.00 -2.02 0.00 0.00 58.31 57.02 2gup n LYS 287 Cb 0.36 -5.48 0.17 0.00 -0.02 0.00 0.00 35.03 30.07 2gup n LYS 287 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2gup n GLN 288 N -4.65 2.04 0.00 1.97 6.02 -0.27 -5.04 117.38 117.45 2gup n GLN 288 Ca -0.01 -3.35 0.10 0.00 -0.01 0.00 0.00 57.00 53.73 2gup n GLN 288 Cb 0.55 -1.86 0.09 0.00 1.02 0.00 0.00 30.24 30.04 2gup n GLN 288 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92