#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oz7 n PRO 3 N -0.24 -1.53 -2.03 0.00 -0.02 -1.26 -4.82 135.00 125.10 1oz7 n PRO 3 Ca -0.08 -0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 60.57 1oz7 n PRO 3 Cb 0.54 -1.78 -0.02 0.00 -0.02 0.00 0.00 33.50 32.22 1oz7 n PRO 3 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1oz7 s PRO 4 N -3.59 4.28 0.00 0.52 0.02 -1.26 -2.30 135.00 132.67 1oz7 s PRO 4 Ca 0.58 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.89 1oz7 s PRO 4 Cb -0.15 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1oz7 s PRO 4 CO 0.66 -0.39 0.00 0.41 -0.33 0.00 0.00 177.00 177.36 1oz7 n GLY 5 N 1.94 2.78 3.91 0.52 0.00 -1.26 -5.02 105.19 108.05 1oz7 n GLY 5 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1oz7 n GLY 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1oz7 s TRP 6 N -2.12 3.48 0.24 1.61 0.52 -0.97 -4.91 118.94 116.78 1oz7 s TRP 6 Ca 0.00 0.62 0.10 0.00 0.02 0.00 0.00 56.10 56.84 1oz7 s TRP 6 Cb 0.00 -2.09 -0.04 0.00 -1.15 0.00 0.00 33.47 30.19 1oz7 s TRP 6 CO 0.00 0.19 -0.06 -1.12 0.02 0.00 0.00 176.95 175.98 1oz7 s SER 7 N -3.15 4.31 0.03 2.95 0.01 0.15 -4.79 113.70 113.21 1oz7 s SER 7 Ca 0.43 -0.68 0.07 0.00 1.31 0.00 0.00 55.95 57.09 1oz7 s SER 7 Cb -0.11 -0.72 -0.03 0.00 0.21 0.00 0.00 66.02 65.37 1oz7 s SER 7 CO 0.30 0.04 -0.20 -0.55 0.41 0.00 0.00 173.24 173.24 1oz7 s SER 8 N -3.38 3.65 -0.28 2.44 0.15 -1.26 0.27 113.70 115.29 1oz7 s SER 8 Ca 0.29 -0.44 -0.20 0.00 0.70 0.00 0.00 55.95 56.30 1oz7 s SER 8 Cb -0.07 -0.55 0.08 0.00 -1.71 0.00 0.00 66.02 63.77 1oz7 s SER 8 CO 0.18 0.27 0.73 0.21 1.20 0.00 0.00 173.24 175.82 1oz7 s ASN 9 N -1.28 -0.83 -1.38 5.45 2.47 -0.36 -4.94 114.94 114.08 1oz7 s ASN 9 Ca 0.13 1.44 -0.08 0.00 0.42 0.00 0.00 52.86 54.77 1oz7 s ASN 9 Cb -0.10 1.40 0.00 0.00 -1.45 0.00 0.00 41.25 41.10 1oz7 s ASN 9 CO 0.04 -0.24 0.40 0.61 -3.72 0.00 0.00 177.10 174.20 1oz7 n GLY 10 N 3.50 -0.39 4.36 1.21 0.00 -1.26 -0.15 105.19 112.47 1oz7 n GLY 10 Ca -0.17 0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1oz7 n GLY 10 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1oz7 n VAL 11 N -4.51 -0.67 -4.17 1.61 3.14 -1.26 -4.93 118.33 107.54 1oz7 n VAL 11 Ca -0.26 -0.07 -0.17 0.00 -2.96 0.00 0.00 64.34 60.89 1oz7 n VAL 11 Cb 0.66 -1.15 -0.12 0.00 -1.06 0.00 0.00 33.84 32.17 1oz7 n VAL 11 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 1oz7 s TYR 12 N -3.39 1.13 -0.10 1.45 2.02 0.79 -4.44 117.35 114.81 1oz7 s TYR 12 Ca 0.69 -0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 56.84 1oz7 s TYR 12 Cb -0.39 -0.63 -0.03 0.00 -0.40 0.00 0.00 41.96 40.51 1oz7 s TYR 12 CO 0.98 0.04 0.00 0.00 -1.57 0.00 0.00 175.55 175.00 1oz7 s TYR 14 N -0.59 0.53 -0.11 0.00 1.51 0.14 -2.09 117.35 116.74 1oz7 s TYR 14 Ca 0.10 -0.19 -0.08 0.00 -1.01 0.00 0.00 57.07 55.89 1oz7 s TYR 14 Cb -0.12 -0.34 0.04 0.00 -0.11 0.00 0.00 41.96 41.43 1oz7 s TYR 14 CO 0.02 -0.03 0.28 1.41 -1.11 0.00 0.00 175.55 176.13 1oz7 s MET 15 N -0.48 0.29 -0.13 -0.62 1.75 -0.92 -0.67 119.30 118.51 1oz7 s MET 15 Ca -0.01 0.49 -0.14 0.00 -1.25 0.00 0.00 55.69 54.78 1oz7 s MET 15 Cb -0.04 0.03 -0.05 0.00 2.84 0.00 0.00 34.83 37.61 1oz7 s MET 15 CO -0.00 -0.10 0.32 -0.48 -0.65 0.00 0.00 175.02 174.11 1oz7 s LEU 16 N 0.71 4.29 -0.19 4.11 -0.00 -1.26 0.34 118.68 126.68 1oz7 s LEU 16 Ca -0.05 0.61 -0.02 0.00 -0.00 0.00 0.00 54.13 54.67 1oz7 s LEU 16 Cb -0.06 -2.43 -0.01 0.00 -0.00 0.00 0.00 46.19 43.70 1oz7 s LEU 16 CO -0.05 0.13 -0.09 -0.36 -0.00 0.00 0.00 176.35 175.99 1oz7 s PHE 17 N 0.19 2.90 -0.86 3.48 0.08 0.15 -4.91 117.98 119.02 1oz7 s PHE 17 Ca 0.19 -0.98 -0.07 0.00 0.12 0.00 0.00 56.93 56.19 1oz7 s PHE 17 Cb -0.14 -2.02 -0.07 0.00 -0.57 0.00 0.00 43.02 40.22 1oz7 s PHE 17 CO 0.06 -0.51 3.01 1.17 -0.10 0.00 0.00 175.22 178.85 1oz7 n LYS 18 N 4.49 3.13 -3.67 0.44 3.00 -1.26 -2.09 118.16 122.20 1oz7 n LYS 18 Ca -0.19 -2.12 -0.30 0.00 -0.00 0.00 0.00 58.31 55.70 1oz7 n LYS 18 Cb 0.51 -2.40 -0.15 0.00 0.00 0.00 0.00 35.03 32.99 1oz7 n LYS 18 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1oz7 s GLU 19 N 0.41 0.56 -0.00 1.64 0.41 -1.26 -5.02 118.70 115.44 1oz7 s GLU 19 Ca 0.64 -0.93 -0.35 0.00 -0.41 0.00 0.00 54.97 53.92 1oz7 s GLU 19 Cb 0.26 -1.73 -0.13 0.00 -1.78 0.00 0.00 34.13 30.75 1oz7 s GLU 19 CO -0.08 -1.00 1.72 -2.30 -0.49 0.00 0.00 175.26 173.10 1oz7 n PRO 20 N 4.93 1.99 -4.08 0.39 -0.02 -1.26 -4.50 135.00 132.45 1oz7 n PRO 20 Ca -0.03 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 62.06 1oz7 n PRO 20 Cb 0.42 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.32 1oz7 n PRO 20 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1oz7 s LYS 21 N 2.60 1.59 0.56 -0.52 1.02 -0.99 -4.70 119.74 119.30 1oz7 s LYS 21 Ca 0.88 -1.53 -0.15 0.00 0.02 0.00 0.00 55.97 55.18 1oz7 s LYS 21 Cb -0.74 0.41 -0.06 0.00 -0.52 0.00 0.00 37.83 36.92 1oz7 s LYS 21 CO 0.48 -0.63 1.01 0.99 -0.92 0.00 0.00 175.35 176.27 1oz7 s THR 22 N -3.71 4.44 0.14 2.17 2.01 -1.26 -1.18 115.64 118.26 1oz7 s THR 22 Ca 0.30 1.05 -0.29 0.00 0.31 0.00 0.00 61.69 63.07 1oz7 s THR 22 Cb 0.01 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1oz7 s THR 22 CO 0.14 -0.78 1.58 -0.25 -0.69 0.00 0.00 174.62 174.62 1oz7 h TRP 23 N 0.46 -1.22 -0.55 4.92 -0.00 -1.56 -0.00 115.95 117.99 1oz7 h TRP 23 Ca -0.46 0.05 0.11 0.00 -0.00 0.00 0.00 58.89 58.59 1oz7 h TRP 23 Cb 1.19 0.57 -0.09 0.00 -0.00 0.00 0.00 29.16 30.83 1oz7 h TRP 23 CO 0.63 -0.47 0.03 -0.44 -0.00 0.00 0.00 178.44 178.20 1oz7 h ASP 24 N -0.44 -0.18 -0.13 2.65 3.45 -1.94 0.29 116.42 120.12 1oz7 h ASP 24 Ca 0.09 0.13 -0.19 0.00 0.43 0.00 0.00 57.03 57.49 1oz7 h ASP 24 Cb 0.61 0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.60 1oz7 h ASP 24 CO -0.45 -0.06 -0.63 -0.33 -1.57 0.00 0.00 179.24 176.20 1oz7 h GLU 25 N 0.15 0.74 -0.44 3.56 5.08 -1.82 -0.91 114.58 120.94 1oz7 h GLU 25 Ca 0.28 -0.52 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1oz7 h GLU 25 Cb 0.44 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1oz7 h GLU 25 CO -0.44 1.14 0.01 0.00 -1.00 0.00 0.00 179.01 178.71 1oz7 h ALA 26 N 0.74 0.59 -0.14 3.43 0.00 -0.69 0.21 119.26 123.40 1oz7 h ALA 26 Ca -0.01 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1oz7 h ALA 26 Cb 1.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1oz7 h ALA 26 CO 0.13 0.37 0.05 1.49 0.00 0.00 0.00 179.25 181.29 1oz7 h GLU 27 N 0.61 0.12 -0.52 0.00 4.57 -0.90 -0.44 114.58 118.02 1oz7 h GLU 27 Ca 0.13 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1oz7 h GLU 27 Cb 0.48 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 1oz7 h GLU 27 CO 0.02 0.08 0.31 -0.22 -1.18 0.00 0.00 179.01 178.02 1oz7 h LYS 28 N 0.12 0.60 -0.55 1.92 1.63 -0.88 -2.27 116.57 117.14 1oz7 h LYS 28 Ca 0.06 -0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.89 1oz7 h LYS 28 Cb 0.03 -0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 31.47 1oz7 h LYS 28 CO -0.06 0.40 0.23 0.35 -3.45 0.00 0.00 179.45 176.92 1oz7 h PHE 29 N 0.62 0.42 0.00 1.91 3.04 0.07 -2.06 116.94 120.94 1oz7 h PHE 29 Ca 0.21 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.14 1oz7 h PHE 29 Cb 0.03 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 1oz7 h PHE 29 CO -0.07 0.16 -0.21 0.00 -2.02 0.00 0.00 178.31 176.18 1oz7 n ASN 31 N -4.06 0.02 0.00 0.00 0.23 -0.79 -3.23 115.26 107.44 1oz7 n ASN 31 Ca -0.02 -0.23 0.11 0.00 -0.53 0.00 0.00 54.58 53.91 1oz7 n ASN 31 Cb 0.28 -0.25 -0.13 0.00 -2.08 0.00 0.00 39.78 37.60 1oz7 n ASN 31 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1oz7 n LYS 32 N -1.25 0.51 0.18 -3.83 5.02 -0.72 -4.37 118.16 113.70 1oz7 n LYS 32 Ca 0.15 -0.13 0.06 0.00 -2.02 0.00 0.00 58.31 56.37 1oz7 n LYS 32 Cb 0.23 -1.54 0.23 0.00 -0.02 0.00 0.00 35.03 33.93 1oz7 n LYS 32 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1oz7 h GLN 33 N 0.00 0.00 -1.38 1.97 1.08 -1.53 -3.47 115.11 111.79 1oz7 h GLN 33 Ca 0.00 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.33 1oz7 h GLN 33 Cb 0.89 0.00 -0.26 0.00 -0.05 0.00 0.00 27.48 28.07 1oz7 h GLN 33 CO 0.00 0.37 0.68 0.20 -0.95 0.00 0.00 178.83 179.13 1oz7 s GLY 34 N -4.37 -0.10 -0.27 3.46 0.00 -1.26 -5.05 107.32 99.73 1oz7 s GLY 34 Ca 0.02 2.48 -0.38 0.00 0.00 0.00 0.00 44.72 46.84 1oz7 s GLY 34 CO 0.70 1.24 1.88 1.17 0.00 0.00 0.00 173.10 178.09 1oz7 n LYS 35 N 0.95 1.27 -2.03 2.90 3.00 -1.26 -0.60 118.16 122.39 1oz7 n LYS 35 Ca -0.08 0.44 -0.07 0.00 -0.00 0.00 0.00 58.31 58.60 1oz7 n LYS 35 Cb 0.58 -2.25 -0.01 0.00 0.00 0.00 0.00 35.03 33.35 1oz7 n LYS 35 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1oz7 n ASP 36 N 6.60 -2.84 -4.82 3.14 9.92 -1.26 -4.75 116.55 122.53 1oz7 n ASP 36 Ca 0.30 0.01 -0.32 0.00 -0.53 0.00 0.00 54.79 54.25 1oz7 n ASP 36 Cb 0.17 -2.03 0.01 0.00 -0.64 0.00 0.00 41.12 38.63 1oz7 n ASP 36 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1oz7 s GLY 37 N -2.70 1.98 0.32 0.44 0.00 0.23 -4.64 107.32 102.94 1oz7 s GLY 37 Ca 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 44.72 44.78 1oz7 s GLY 37 CO 0.00 0.53 0.71 0.30 0.00 0.00 0.00 173.10 174.64 1oz7 s HIS 38 N -2.68 0.04 0.52 1.90 3.76 0.55 -3.36 115.29 116.02 1oz7 s HIS 38 Ca 0.60 -0.55 -0.22 0.00 -0.15 0.00 0.00 55.06 54.75 1oz7 s HIS 38 Cb -0.13 0.66 -0.06 0.00 1.11 0.00 0.00 32.58 34.16 1oz7 s HIS 38 CO 0.40 -1.32 1.28 -0.51 -0.85 0.00 0.00 174.74 173.74 1oz7 s LEU 39 N -3.00 3.90 0.29 0.89 1.43 -1.26 -1.03 118.68 119.91 1oz7 s LEU 39 Ca 0.15 2.57 -0.30 0.00 -1.03 0.00 0.00 54.13 55.52 1oz7 s LEU 39 Cb -0.05 -4.28 -0.11 0.00 0.03 0.00 0.00 46.19 41.78 1oz7 s LEU 39 CO 0.09 -1.33 1.55 -1.48 0.23 0.00 0.00 176.35 175.41 1oz7 s LEU 40 N -3.38 4.35 0.09 1.79 0.05 0.08 -4.03 118.68 117.63 1oz7 s LEU 40 Ca 0.69 2.90 0.03 0.00 0.05 0.00 0.00 54.13 57.80 1oz7 s LEU 40 Cb -0.35 -3.64 -0.04 0.00 -2.05 0.00 0.00 46.19 40.11 1oz7 s LEU 40 CO 0.42 -0.86 0.12 -0.94 -0.55 0.00 0.00 176.35 174.54 1oz7 s SER 41 N 0.39 5.73 -0.23 1.48 1.04 -1.26 -0.52 113.70 120.33 1oz7 s SER 41 Ca 0.61 0.04 0.02 0.00 0.48 0.00 0.00 55.95 57.10 1oz7 s SER 41 Cb -0.46 -1.59 0.05 0.00 0.10 0.00 0.00 66.02 64.11 1oz7 s SER 41 CO 0.49 0.16 -0.11 -0.63 0.98 0.00 0.00 173.24 174.12 1oz7 s ILE 42 N -1.47 1.94 -1.56 -1.02 -1.09 -1.26 -5.00 121.20 111.75 1oz7 s ILE 42 Ca 0.31 -1.33 0.13 0.00 -2.23 0.00 0.00 60.65 57.53 1oz7 s ILE 42 Cb -0.12 -2.02 0.15 0.00 -1.58 0.00 0.00 42.46 38.89 1oz7 s ILE 42 CO 0.24 0.09 0.99 -0.62 -1.23 0.00 0.00 174.94 174.41 1oz7 n GLU 43 N 4.55 1.22 -3.43 2.79 1.02 -1.26 -4.98 120.64 120.56 1oz7 n GLU 43 Ca -0.15 -1.46 -0.12 0.00 -0.02 0.00 0.00 57.16 55.42 1oz7 n GLU 43 Cb 0.44 -1.27 -0.02 0.00 -0.02 0.00 0.00 31.44 30.58 1oz7 n GLU 43 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1oz7 s SER 44 N -1.09 -0.55 0.34 1.62 1.04 -1.26 -5.00 113.70 108.80 1oz7 s SER 44 Ca 0.18 0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.62 1oz7 s SER 44 Cb 0.12 0.58 0.59 0.00 0.10 0.00 0.00 66.02 67.40 1oz7 s SER 44 CO 0.17 -0.94 1.98 0.50 0.98 0.00 0.00 173.24 175.94 1oz7 h LYS 45 N 2.00 0.86 -0.30 4.02 3.11 -1.98 0.38 116.57 124.65 1oz7 h LYS 45 Ca -0.33 -0.07 -0.03 0.00 -2.81 0.00 0.00 60.65 57.41 1oz7 h LYS 45 Cb 1.30 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 32.34 1oz7 h LYS 45 CO 0.37 0.59 0.06 -0.22 -2.81 0.00 0.00 179.45 177.45 1oz7 h LYS 46 N 0.87 0.49 -0.16 1.90 1.63 -1.99 -1.11 116.57 118.21 1oz7 h LYS 46 Ca 0.23 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 1oz7 h LYS 46 Cb -0.05 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 1oz7 h LYS 46 CO -0.05 0.58 -0.03 1.49 -3.45 0.00 0.00 179.45 177.99 1oz7 h GLU 47 N 0.33 0.31 -1.01 1.90 4.81 -1.73 -0.93 114.58 118.25 1oz7 h GLU 47 Ca 0.09 -0.11 0.25 0.00 -0.13 0.00 0.00 59.36 59.46 1oz7 h GLU 47 Cb 0.31 -0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.56 1oz7 h GLU 47 CO 0.00 0.57 0.62 0.93 -0.73 0.00 0.00 179.01 180.40 1oz7 h GLU 48 N 0.02 0.53 -0.19 1.92 5.08 -0.19 0.33 114.58 122.07 1oz7 h GLU 48 Ca 0.04 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 1oz7 h GLU 48 Cb 0.45 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1oz7 h GLU 48 CO 0.01 0.35 -0.64 0.82 -1.00 0.00 0.00 179.01 178.56 1oz7 h ILE 49 N 0.55 1.30 0.00 3.13 2.04 -0.80 -2.69 117.51 121.04 1oz7 h ILE 49 Ca 0.63 -1.88 -0.04 0.00 1.00 0.00 0.00 64.86 64.57 1oz7 h ILE 49 Cb 1.28 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1oz7 h ILE 49 CO -0.43 0.59 -0.20 0.25 0.00 0.00 0.00 178.15 178.36 1oz7 h LEU 50 N 0.51 0.00 0.07 1.44 7.12 0.97 -3.07 115.31 122.36 1oz7 h LEU 50 Ca -0.01 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 57.85 1oz7 h LEU 50 Cb 1.23 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.36 1oz7 h LEU 50 CO 0.13 0.20 -0.74 0.58 -0.13 0.00 0.00 178.44 178.48 1oz7 h VAL 51 N 0.00 1.43 -0.86 1.05 2.07 -1.08 -3.02 116.25 115.83 1oz7 h VAL 51 Ca -0.00 -2.40 0.06 0.00 0.82 0.00 0.00 66.70 65.17 1oz7 h VAL 51 Cb 0.61 3.04 -0.05 0.00 -1.52 0.00 0.00 31.29 33.37 1oz7 h VAL 51 CO 0.03 0.63 0.56 0.44 0.02 0.00 0.00 177.57 179.25 1oz7 h ASP 52 N -0.64 0.87 0.62 0.57 3.45 -1.51 0.17 116.42 119.95 1oz7 h ASP 52 Ca -0.16 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.19 1oz7 h ASP 52 Cb 1.42 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.99 1oz7 h ASP 52 CO 0.04 0.57 -0.55 -0.29 -1.57 0.00 0.00 179.24 177.44 1oz7 h ILE 53 N 0.99 1.33 0.00 0.35 2.10 -1.67 0.45 117.51 121.06 1oz7 h ILE 53 Ca 0.36 -1.91 -0.12 0.00 1.08 0.00 0.00 64.86 64.27 1oz7 h ILE 53 Cb 0.16 2.05 -0.02 0.00 -1.09 0.00 0.00 36.82 37.92 1oz7 h ILE 53 CO -0.12 0.53 -0.56 1.62 -1.08 0.00 0.00 178.15 178.54 1oz7 h VAL 54 N 0.00 1.01 -0.01 2.19 3.04 -1.04 -2.89 116.25 118.54 1oz7 h VAL 54 Ca -0.01 -2.30 -0.02 0.00 -1.01 0.00 0.00 66.70 63.36 1oz7 h VAL 54 Cb 1.00 2.41 0.00 0.00 -2.01 0.00 0.00 31.29 32.70 1oz7 h VAL 54 CO 0.07 0.55 -0.07 0.58 -1.01 0.00 0.00 177.57 177.69 1oz7 h VAL 55 N 0.00 1.52 -0.46 1.51 2.07 -0.10 -2.86 116.25 117.93 1oz7 h VAL 55 Ca -0.01 -1.63 0.13 0.00 0.82 0.00 0.00 66.70 66.02 1oz7 h VAL 55 Cb 1.37 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 33.70 1oz7 h VAL 55 CO 0.07 0.43 0.44 0.28 0.02 0.00 0.00 177.57 178.81 1oz7 h SER 56 N -0.57 0.00 0.00 0.57 0.02 -0.10 -1.98 113.55 111.49 1oz7 h SER 56 Ca -0.01 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1oz7 h SER 56 Cb 0.74 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 1oz7 h SER 56 CO 0.01 0.00 -1.95 1.21 -1.14 0.00 0.00 176.83 174.96 1oz7 n GLU 57 N -3.89 0.85 -0.00 3.45 2.13 -1.10 -4.71 120.64 117.38 1oz7 n GLU 57 Ca 0.08 -0.10 0.04 0.00 0.66 0.00 0.00 57.16 57.84 1oz7 n GLU 57 Cb 0.63 -1.43 -0.05 0.00 0.27 0.00 0.00 31.44 30.87 1oz7 n GLU 57 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1oz7 n ASN 58 N -2.33 1.17 -4.37 4.31 3.02 -1.08 -4.95 115.26 111.03 1oz7 n ASN 58 Ca -0.13 -0.49 -0.36 0.00 -0.03 0.00 0.00 54.58 53.57 1oz7 n ASN 58 Cb 0.71 1.11 -0.13 0.00 -0.61 0.00 0.00 39.78 40.85 1oz7 n ASN 58 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1oz7 s ILE 59 N -1.98 3.88 0.05 2.41 1.01 -0.76 -4.75 121.20 121.05 1oz7 s ILE 59 Ca 0.01 -0.44 -0.31 0.00 0.00 0.00 0.00 60.65 59.92 1oz7 s ILE 59 Cb 0.06 -2.86 -0.06 0.00 0.01 0.00 0.00 42.46 39.61 1oz7 s ILE 59 CO 0.33 0.29 1.32 -0.83 0.00 0.00 0.00 174.94 176.05 1oz7 s GLY 60 N 1.53 2.09 0.62 6.18 0.00 -1.26 -4.80 107.32 111.67 1oz7 s GLY 60 Ca 0.05 0.93 -0.18 0.00 0.00 0.00 0.00 44.72 45.52 1oz7 s GLY 60 CO 0.01 2.29 0.09 0.28 0.00 0.00 0.00 173.10 175.76 1oz7 n LYS 61 N 4.43 0.18 -3.53 2.90 4.01 -1.26 -5.07 118.16 119.82 1oz7 n LYS 61 Ca 0.11 0.08 -0.12 0.00 -0.51 0.00 0.00 58.31 57.87 1oz7 n LYS 61 Cb 0.44 -1.34 -0.04 0.00 -0.51 0.00 0.00 35.03 33.58 1oz7 n LYS 61 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1oz7 s MET 62 N -1.72 0.81 0.29 1.97 1.00 -1.26 -5.07 119.30 115.32 1oz7 s MET 62 Ca 0.60 0.02 0.19 0.00 0.00 0.00 0.00 55.69 56.50 1oz7 s MET 62 Cb -0.42 0.38 0.12 0.00 0.00 0.00 0.00 34.83 34.91 1oz7 s MET 62 CO 0.63 -0.29 1.36 1.88 0.00 0.00 0.00 175.02 178.61 1oz7 h TYR 63 N 2.49 0.00 -4.05 -0.03 0.05 -1.97 -3.42 116.97 110.04 1oz7 h TYR 63 Ca -0.22 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.40 1oz7 h TYR 63 Cb 1.19 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 38.73 1oz7 h TYR 63 CO 0.30 0.28 -0.70 0.15 -1.05 0.00 0.00 178.16 177.14 1oz7 s LYS 64 N -3.09 0.40 -0.03 4.88 3.01 -1.26 -1.62 119.74 122.03 1oz7 s LYS 64 Ca 0.03 -0.78 0.01 0.00 -1.01 0.00 0.00 55.97 54.23 1oz7 s LYS 64 Cb 0.07 0.13 0.02 0.00 -1.01 0.00 0.00 37.83 37.04 1oz7 s LYS 64 CO 0.74 -0.06 -0.04 0.42 0.51 0.00 0.00 175.35 176.91 1oz7 s ILE 65 N -2.13 0.50 0.12 2.17 1.09 -0.27 -3.99 121.20 118.68 1oz7 s ILE 65 Ca -0.10 -0.13 -0.30 0.00 -1.10 0.00 0.00 60.65 59.02 1oz7 s ILE 65 Cb -0.05 -0.51 -0.07 0.00 -1.06 0.00 0.00 42.46 40.77 1oz7 s ILE 65 CO -0.03 0.20 1.21 0.26 -0.10 0.00 0.00 174.94 176.48 1oz7 s TRP 66 N 0.70 3.42 0.33 3.97 0.23 -0.66 0.95 118.94 127.89 1oz7 s TRP 66 Ca -0.09 1.33 0.09 0.00 -2.03 0.00 0.00 56.10 55.40 1oz7 s TRP 66 Cb -0.12 -3.44 -0.06 0.00 0.03 0.00 0.00 33.47 29.87 1oz7 s TRP 66 CO 0.00 -1.33 -0.09 0.95 0.96 0.00 0.00 176.95 177.44 1oz7 s THR 67 N 0.56 2.12 -0.14 2.01 -4.23 -1.24 -3.21 115.64 111.52 1oz7 s THR 67 Ca 0.57 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1oz7 s THR 67 Cb -0.31 -2.60 0.15 0.00 1.34 0.00 0.00 72.50 71.07 1oz7 s THR 67 CO 0.32 -0.22 1.56 0.61 -0.54 0.00 0.00 174.62 176.35 1oz7 n GLY 68 N -0.75 2.95 3.45 3.99 0.00 0.33 -4.77 105.19 110.40 1oz7 n GLY 68 Ca -0.05 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 1oz7 n GLY 68 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1oz7 s LEU 69 N -0.92 4.55 0.09 0.99 2.96 -1.26 -4.95 118.68 120.14 1oz7 s LEU 69 Ca 0.16 -0.93 0.05 0.00 -0.22 0.00 0.00 54.13 53.19 1oz7 s LEU 69 Cb 0.13 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1oz7 s LEU 69 CO 0.02 -1.29 -0.02 -0.55 -1.32 0.00 0.00 176.35 173.19 1oz7 s SER 70 N 3.40 4.91 0.26 3.68 0.15 -1.26 -3.03 113.70 121.82 1oz7 s SER 70 Ca 0.21 -0.20 -0.29 0.00 0.70 0.00 0.00 55.95 56.36 1oz7 s SER 70 Cb -0.17 -1.14 -0.09 0.00 -1.71 0.00 0.00 66.02 62.90 1oz7 s SER 70 CO 0.11 0.18 1.19 -0.70 1.20 0.00 0.00 173.24 175.23 1oz7 s GLU 71 N -2.23 4.51 0.00 5.44 -6.30 -0.63 -4.93 118.70 114.57 1oz7 s GLU 71 Ca 0.24 1.94 0.27 0.00 -2.50 0.00 0.00 54.97 54.93 1oz7 s GLU 71 Cb -0.12 -3.18 0.97 0.00 0.00 0.00 0.00 34.13 31.80 1oz7 s GLU 71 CO 0.17 -0.00 1.71 0.54 0.02 0.00 0.00 175.26 177.70 1oz7 n ARG 72 N 1.59 0.40 -3.64 4.30 1.74 -1.26 -4.94 116.66 114.85 1oz7 n ARG 72 Ca 0.01 -0.17 -0.21 0.00 -0.77 0.00 0.00 57.85 56.72 1oz7 n ARG 72 Cb 0.44 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.42 1oz7 n ARG 72 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1oz7 n SER 73 N -1.15 -1.75 -0.48 0.55 7.64 -1.26 -4.90 113.62 112.27 1oz7 n SER 73 Ca 0.10 -0.80 0.07 0.00 1.01 0.00 0.00 58.87 59.25 1oz7 n SER 73 Cb 0.31 -4.21 0.15 0.00 -1.01 0.00 0.00 64.21 59.45 1oz7 n SER 73 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1oz7 n LYS 74 N -4.19 1.22 -0.31 1.43 5.02 -1.26 -4.88 118.16 115.18 1oz7 n LYS 74 Ca -0.28 -2.76 0.08 0.00 -2.02 0.00 0.00 58.31 53.34 1oz7 n LYS 74 Cb 0.67 -1.35 0.19 0.00 -0.02 0.00 0.00 35.03 34.52 1oz7 n LYS 74 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1oz7 h GLU 75 N 0.56 0.03 0.00 1.97 3.07 -1.92 0.44 114.58 118.73 1oz7 h GLU 75 Ca -0.02 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1oz7 h GLU 75 Cb 1.11 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1oz7 h GLU 75 CO 0.01 0.02 0.00 0.00 -1.40 0.00 0.00 179.01 177.64 1oz7 n GLN 76 N -5.48 0.00 -0.00 2.33 0.00 -1.26 -0.83 117.38 112.13 1oz7 n GLN 76 Ca 0.17 0.42 0.05 0.00 0.00 0.00 0.00 57.00 57.64 1oz7 n GLN 76 Cb 0.57 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.24 1oz7 n GLN 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1oz7 n HIS 77 N -1.50 0.00 -1.85 2.61 8.25 0.15 -4.54 115.22 118.34 1oz7 n HIS 77 Ca 0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.23 1oz7 n HIS 77 Cb 0.05 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.20 1oz7 n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1oz7 s SER 79 N -3.20 6.49 0.82 0.00 0.15 -1.15 -4.94 113.70 111.87 1oz7 s SER 79 Ca 0.53 2.60 -0.11 0.00 0.70 0.00 0.00 55.95 59.67 1oz7 s SER 79 Cb 0.43 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 62.29 1oz7 s SER 79 CO 0.03 -1.02 1.09 -0.44 1.20 0.00 0.00 173.24 174.09 1oz7 s SER 80 N 4.01 4.17 -0.02 5.45 0.01 -1.26 -4.87 113.70 121.19 1oz7 s SER 80 Ca 0.85 1.61 0.05 0.00 1.31 0.00 0.00 55.95 59.77 1oz7 s SER 80 Cb -0.41 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.48 1oz7 s SER 80 CO 0.39 -2.22 -0.18 -0.13 0.41 0.00 0.00 173.24 171.51 1oz7 s ARG 81 N -4.96 1.54 1.00 12.44 0.52 -1.26 -1.45 118.95 126.78 1oz7 s ARG 81 Ca 0.62 -0.64 -0.14 0.00 -0.52 0.00 0.00 55.73 55.05 1oz7 s ARG 81 Cb -0.17 -1.45 0.19 0.00 0.52 0.00 0.00 34.95 34.03 1oz7 s ARG 81 CO 0.56 0.36 1.13 -1.58 0.02 0.00 0.00 175.30 175.79 1oz7 s TRP 82 N -0.33 1.99 0.00 -0.53 0.52 0.18 -4.71 118.94 116.05 1oz7 s TRP 82 Ca 0.05 0.80 0.00 0.00 0.02 0.00 0.00 56.10 56.97 1oz7 s TRP 82 Cb -0.08 -3.40 0.00 0.00 -1.15 0.00 0.00 33.47 28.84 1oz7 s TRP 82 CO -0.00 -2.83 0.12 0.43 0.02 0.00 0.00 176.95 174.69 1oz7 n SER 83 N -4.08 0.33 0.00 2.95 7.64 -1.26 -3.75 113.62 115.45 1oz7 n SER 83 Ca 0.08 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.09 1oz7 n SER 83 Cb 0.59 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1oz7 n SER 83 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1oz7 n ASP 84 N 1.72 0.00 -2.67 6.43 5.75 -1.26 -5.17 116.55 121.35 1oz7 n ASP 84 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.69 1oz7 n ASP 84 Cb 0.03 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.18 1oz7 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1oz7 n GLY 85 N 0.00 -0.66 3.85 6.12 0.00 -1.25 -5.04 105.19 108.22 1oz7 n GLY 85 Ca 0.00 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 1oz7 n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oz7 s SER 86 N -2.47 6.77 -1.17 1.61 0.01 -1.26 0.48 113.70 117.66 1oz7 s SER 86 Ca 0.23 1.02 -0.16 0.00 1.31 0.00 0.00 55.95 58.35 1oz7 s SER 86 Cb -0.01 -2.27 0.13 0.00 0.21 0.00 0.00 66.02 64.09 1oz7 s SER 86 CO 0.16 0.08 1.45 0.12 0.41 0.00 0.00 173.24 175.46 1oz7 s PHE 87 N -1.52 3.21 0.00 2.43 5.36 -0.53 -4.71 117.98 122.22 1oz7 s PHE 87 Ca 0.39 -1.82 0.00 0.00 -0.96 0.00 0.00 56.93 54.54 1oz7 s PHE 87 Cb -0.14 -4.43 0.00 0.00 -0.34 0.00 0.00 43.02 38.10 1oz7 s PHE 87 CO 0.19 -1.54 0.00 1.19 -1.46 0.00 0.00 175.22 173.60 1oz7 n PHE 88 N 6.62 0.00 -1.75 10.12 3.72 -1.26 -4.71 117.46 130.20 1oz7 n PHE 88 Ca 0.37 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.35 1oz7 n PHE 88 Cb 0.45 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.96 1oz7 n PHE 88 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1oz7 s ARG 89 N -0.96 4.03 0.05 -1.08 3.00 -1.26 -4.94 118.95 117.80 1oz7 s ARG 89 Ca 0.00 2.44 0.03 0.00 -1.00 0.00 0.00 55.73 57.20 1oz7 s ARG 89 Cb 0.00 -4.15 -0.03 0.00 0.00 0.00 0.00 34.95 30.78 1oz7 s ARG 89 CO 0.00 -1.06 -0.09 0.45 0.00 0.00 0.00 175.30 174.60 1oz7 s SER 90 N 4.61 1.06 -0.45 -2.12 0.15 -1.26 -5.12 113.70 110.57 1oz7 s SER 90 Ca 0.86 -0.60 0.05 0.00 0.70 0.00 0.00 55.95 56.96 1oz7 s SER 90 Cb -0.39 0.02 0.18 0.00 -1.71 0.00 0.00 66.02 64.12 1oz7 s SER 90 CO 0.38 -0.20 0.50 0.00 1.20 0.00 0.00 173.24 175.12 1oz7 n TYR 91 N 1.29 -1.97 -4.45 3.44 9.36 -1.26 -5.12 117.16 118.45 1oz7 n TYR 91 Ca -0.22 -2.61 -0.22 0.00 3.32 0.00 0.00 57.90 58.17 1oz7 n TYR 91 Cb 0.55 0.69 -0.10 0.00 -0.63 0.00 0.00 39.34 39.84 1oz7 n TYR 91 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1oz7 s GLU 92 N 0.28 1.61 -1.37 2.98 2.02 -1.26 -5.03 118.70 117.93 1oz7 s GLU 92 Ca 0.32 -1.80 -0.06 0.00 0.02 0.00 0.00 54.97 53.45 1oz7 s GLU 92 Cb 0.04 -1.34 0.09 0.00 0.10 0.00 0.00 34.13 33.02 1oz7 s GLU 92 CO -0.15 0.10 2.46 -0.89 0.02 0.00 0.00 175.26 176.81 1oz7 n ILE 93 N -0.62 5.07 -2.00 -1.63 5.41 -1.26 -4.88 119.36 119.45 1oz7 n ILE 93 Ca -0.06 -4.05 -0.26 0.00 1.00 0.00 0.00 62.75 59.38 1oz7 n ILE 93 Cb 0.63 -2.17 -0.06 0.00 -0.71 0.00 0.00 39.64 37.33 1oz7 n ILE 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1oz7 s ALA 94 N -0.58 1.61 0.00 -1.39 0.00 -1.26 -4.87 121.76 115.27 1oz7 s ALA 94 Ca 0.56 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1oz7 s ALA 94 Cb 0.18 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.65 1oz7 s ALA 94 CO -0.09 -5.32 0.00 0.44 0.00 0.00 0.00 175.76 170.80 1oz7 n ILE 95 N 7.97 0.00 -3.21 0.00 -5.35 -1.26 -4.82 119.36 112.69 1oz7 n ILE 95 Ca 0.43 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.71 1oz7 n ILE 95 Cb 0.47 -0.14 0.01 0.00 -1.74 0.00 0.00 39.64 38.23 1oz7 n ILE 95 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1oz7 s ARG 96 N 0.00 3.03 0.22 6.28 1.70 -1.26 -5.07 118.95 123.85 1oz7 s ARG 96 Ca 0.00 -0.84 -0.30 0.00 -0.47 0.00 0.00 55.73 54.12 1oz7 s ARG 96 Cb 0.00 -2.70 -0.09 0.00 -0.57 0.00 0.00 34.95 31.59 1oz7 s ARG 96 CO 0.00 -0.14 0.94 1.52 -1.08 0.00 0.00 175.30 176.54 1oz7 s TYR 97 N -2.36 3.96 -0.56 5.89 -0.00 -1.26 -5.02 117.35 118.00 1oz7 s TYR 97 Ca 0.48 1.89 0.04 0.00 -0.00 0.00 0.00 57.07 59.48 1oz7 s TYR 97 Cb -0.10 -2.98 0.14 0.00 -0.00 0.00 0.00 41.96 39.02 1oz7 s TYR 97 CO 0.34 0.43 0.32 -1.12 -0.00 0.00 0.00 175.55 175.52 1oz7 s SER 98 N -1.03 4.30 -0.36 -0.18 0.01 -1.26 -4.55 113.70 110.62 1oz7 s SER 98 Ca 0.42 -3.19 0.06 0.00 1.31 0.00 0.00 55.95 54.55 1oz7 s SER 98 Cb -0.26 -1.54 0.67 0.00 0.21 0.00 0.00 66.02 65.11 1oz7 s SER 98 CO 0.31 -0.20 1.81 -0.62 0.41 0.00 0.00 173.24 174.96 1oz7 n GLU 99 N 2.86 2.89 -4.17 12.44 4.71 -1.25 -4.64 120.64 133.47 1oz7 n GLU 99 Ca 0.10 -2.85 -0.11 0.00 -0.01 0.00 0.00 57.16 54.29 1oz7 n GLU 99 Cb 0.33 -2.14 -0.10 0.00 -1.01 0.00 0.00 31.44 28.53 1oz7 n GLU 99 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1oz7 s PHE 101 N -3.63 1.20 0.30 0.00 0.08 -1.17 -0.02 117.98 114.74 1oz7 s PHE 101 Ca 0.13 -0.42 -0.00 0.00 0.12 0.00 0.00 56.93 56.76 1oz7 s PHE 101 Cb 0.05 -0.69 -0.02 0.00 -0.57 0.00 0.00 43.02 41.80 1oz7 s PHE 101 CO -0.04 0.05 0.34 0.14 -0.10 0.00 0.00 175.22 175.60 1oz7 s VAL 102 N -1.13 0.00 -0.04 -0.44 -7.23 -1.13 -3.67 120.40 106.76 1oz7 s VAL 102 Ca -0.01 -1.79 -0.10 0.00 -1.81 0.00 0.00 61.98 58.26 1oz7 s VAL 102 Cb -0.09 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 1oz7 s VAL 102 CO 0.02 0.00 0.29 -0.76 -0.31 0.00 0.00 175.10 174.34 1oz7 s LEU 103 N -3.24 4.42 -0.19 1.32 1.43 0.27 -2.31 118.68 120.38 1oz7 s LEU 103 Ca 0.35 0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 54.09 1oz7 s LEU 103 Cb 0.02 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 1oz7 s LEU 103 CO 0.20 0.34 0.07 -1.83 0.23 0.00 0.00 176.35 175.36 1oz7 s GLU 104 N -1.20 3.97 0.52 1.70 -1.05 -1.19 -1.11 118.70 120.34 1oz7 s GLU 104 Ca 0.21 -0.34 0.21 0.00 -0.15 0.00 0.00 54.97 54.90 1oz7 s GLU 104 Cb -0.14 -3.24 1.36 0.00 -0.44 0.00 0.00 34.13 31.66 1oz7 s GLU 104 CO 0.10 0.24 2.12 -0.22 0.95 0.00 0.00 175.26 178.45 1oz7 h LYS 105 N 6.81 0.00 -0.58 -4.83 3.64 -1.56 0.31 116.57 120.37 1oz7 h LYS 105 Ca -0.37 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.12 1oz7 h LYS 105 Cb 1.17 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.90 1oz7 h LYS 105 CO 0.70 0.08 0.12 0.37 -2.27 0.00 0.00 179.45 178.44 1oz7 h GLN 106 N 0.00 0.24 -1.77 1.90 5.75 -1.94 -1.17 115.11 118.13 1oz7 h GLN 106 Ca -0.00 -0.01 -0.73 0.00 -0.15 0.00 0.00 58.65 57.75 1oz7 h GLN 106 Cb 0.15 -0.05 -0.29 0.00 1.07 0.00 0.00 27.48 28.35 1oz7 h GLN 106 CO 0.01 0.16 0.78 -1.13 -2.65 0.00 0.00 178.83 176.00 1oz7 n SER 107 N -5.13 7.17 -3.94 -0.69 3.41 -1.00 -4.86 113.62 108.58 1oz7 n SER 107 Ca 0.08 -3.82 -0.31 0.00 -0.26 0.00 0.00 58.87 54.57 1oz7 n SER 107 Cb 0.30 -0.97 -0.05 0.00 -0.26 0.00 0.00 64.21 63.23 1oz7 n SER 107 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1oz7 n VAL 108 N -0.59 -0.11 -1.41 -3.33 3.14 -0.44 -0.19 118.33 115.40 1oz7 n VAL 108 Ca 0.53 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.77 1oz7 n VAL 108 Cb 0.36 -0.51 -0.06 0.00 -1.06 0.00 0.00 33.84 32.57 1oz7 n VAL 108 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1oz7 n PHE 109 N -3.67 0.00 0.01 1.45 3.72 0.11 -4.81 117.46 114.26 1oz7 n PHE 109 Ca 0.08 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1oz7 n PHE 109 Cb 0.47 -2.72 -0.10 0.00 -0.94 0.00 0.00 39.48 36.19 1oz7 n PHE 109 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1oz7 n ARG 110 N -2.01 0.63 -3.82 -1.08 1.74 0.73 -4.58 116.66 108.28 1oz7 n ARG 110 Ca -0.14 0.14 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1oz7 n ARG 110 Cb 0.54 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 1oz7 n ARG 110 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1oz7 s THR 111 N -2.93 4.05 0.12 0.55 -4.23 -1.26 -5.03 115.64 106.91 1oz7 s THR 111 Ca -0.04 -1.25 0.04 0.00 -1.18 0.00 0.00 61.69 59.25 1oz7 s THR 111 Cb 0.09 -3.36 -0.04 0.00 1.34 0.00 0.00 72.50 70.53 1oz7 s THR 111 CO 0.82 -0.23 0.11 0.26 -0.54 0.00 0.00 174.62 175.05 1oz7 s TRP 112 N -2.20 3.19 -0.05 3.99 0.51 -1.26 -3.17 118.94 119.95 1oz7 s TRP 112 Ca 0.39 0.04 -0.02 0.00 -2.12 0.00 0.00 56.10 54.39 1oz7 s TRP 112 Cb -0.07 -1.58 0.04 0.00 -0.81 0.00 0.00 33.47 31.05 1oz7 s TRP 112 CO 0.27 0.52 0.10 0.14 -0.51 0.00 0.00 176.95 177.48 1oz7 s VAL 113 N -1.57 -0.07 0.09 4.03 -7.23 -0.98 -4.96 120.40 109.72 1oz7 s VAL 113 Ca 0.30 0.21 -0.31 0.00 -1.81 0.00 0.00 61.98 60.38 1oz7 s VAL 113 Cb -0.11 -0.18 -0.09 0.00 0.56 0.00 0.00 36.38 36.55 1oz7 s VAL 113 CO 0.23 0.09 1.71 0.00 -0.31 0.00 0.00 175.10 176.81 1oz7 s ALA 114 N 1.24 3.72 0.08 1.32 0.00 -1.26 -2.84 121.76 124.01 1oz7 s ALA 114 Ca -0.08 1.29 -0.01 0.00 0.00 0.00 0.00 51.96 53.17 1oz7 s ALA 114 Cb -0.12 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 1oz7 s ALA 114 CO -0.05 -1.13 -0.02 -0.08 0.00 0.00 0.00 175.76 174.49 1oz7 s THR 115 N 2.60 0.27 -0.02 0.00 -1.32 0.97 -4.98 115.64 113.16 1oz7 s THR 115 Ca 0.76 -1.85 -0.30 0.00 -1.21 0.00 0.00 61.69 59.09 1oz7 s THR 115 Cb -0.42 -1.67 -0.05 0.00 -1.51 0.00 0.00 72.50 68.84 1oz7 s THR 115 CO 0.34 -0.85 1.48 -2.84 -2.21 0.00 0.00 174.62 170.53 1oz7 s PRO 116 N -3.94 4.24 0.37 7.08 0.02 -1.26 -2.58 135.00 138.93 1oz7 s PRO 116 Ca 0.12 2.03 0.10 0.00 0.02 0.00 0.00 61.00 63.26 1oz7 s PRO 116 Cb 0.07 -3.69 0.85 0.00 0.02 0.00 0.00 34.50 31.75 1oz7 s PRO 116 CO -0.06 -0.67 1.90 0.00 -0.33 0.00 0.00 177.00 177.83 1oz7 n GLU 118 N -4.53 0.07 -2.23 0.00 0.00 -1.26 -1.88 120.64 110.81 1oz7 n GLU 118 Ca 0.15 0.43 -0.38 0.00 0.00 0.00 0.00 57.16 57.36 1oz7 n GLU 118 Cb 0.43 -1.68 -0.01 0.00 0.00 0.00 0.00 31.44 30.18 1oz7 n GLU 118 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1oz7 s ASN 119 N -3.50 6.37 -0.33 -1.84 0.01 -0.58 -4.72 114.94 110.35 1oz7 s ASN 119 Ca 0.03 2.40 -0.17 0.00 -0.71 0.00 0.00 52.86 54.40 1oz7 s ASN 119 Cb 0.06 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.10 1oz7 s ASN 119 CO 0.22 -0.78 0.47 0.42 -1.51 0.00 0.00 177.10 175.91 1oz7 s THR 120 N -1.42 5.07 0.03 1.60 -4.23 -1.25 -3.99 115.64 111.45 1oz7 s THR 120 Ca 0.59 0.38 -0.04 0.00 -1.18 0.00 0.00 61.69 61.44 1oz7 s THR 120 Cb -0.32 -3.89 -0.01 0.00 1.34 0.00 0.00 72.50 69.62 1oz7 s THR 120 CO 0.39 -0.11 0.05 -0.36 -0.54 0.00 0.00 174.62 174.05 1oz7 s PHE 121 N 2.28 0.23 1.35 3.99 0.08 -0.32 -4.61 117.98 120.97 1oz7 s PHE 121 Ca 0.17 -0.51 -0.20 0.00 0.12 0.00 0.00 56.93 56.51 1oz7 s PHE 121 Cb -0.16 -0.17 0.33 0.00 -0.57 0.00 0.00 43.02 42.46 1oz7 s PHE 121 CO 0.12 -0.30 0.84 -2.30 -0.10 0.00 0.00 175.22 173.48 1oz7 n PRO 122 N 1.05 -3.88 -3.96 0.24 -0.02 -1.26 -2.35 135.00 124.82 1oz7 n PRO 122 Ca -0.21 -1.14 -0.09 0.00 -2.02 0.00 0.00 63.50 60.04 1oz7 n PRO 122 Cb 0.57 -1.95 -0.04 0.00 -0.02 0.00 0.00 33.50 32.06 1oz7 n PRO 122 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1oz7 s PHE 123 N -2.20 0.33 -0.10 6.00 -0.71 -0.89 -1.66 117.98 118.75 1oz7 s PHE 123 Ca 0.65 -0.73 0.01 0.00 -1.04 0.00 0.00 56.93 55.82 1oz7 s PHE 123 Cb -0.16 0.33 0.02 0.00 -1.21 0.00 0.00 43.02 41.99 1oz7 s PHE 123 CO 0.58 -1.13 -0.13 -1.64 -1.34 0.00 0.00 175.22 171.56 1oz7 s MET 124 N -3.65 2.01 0.38 1.99 1.00 -1.20 0.32 119.30 120.14 1oz7 s MET 124 Ca 0.21 -0.48 0.04 0.00 0.00 0.00 0.00 55.69 55.46 1oz7 s MET 124 Cb -0.02 -1.75 -0.01 0.00 0.00 0.00 0.00 34.83 33.05 1oz7 s MET 124 CO 0.11 -0.09 0.55 0.00 0.00 0.00 0.00 175.02 175.59 1oz7 s LYS 126 N -4.32 1.03 -0.17 0.00 2.20 -0.19 -2.16 119.74 116.12 1oz7 s LYS 126 Ca 0.46 0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 56.08 1oz7 s LYS 126 Cb -0.10 0.49 0.14 0.00 -1.51 0.00 0.00 37.83 36.85 1oz7 s LYS 126 CO 0.34 -0.31 1.08 1.52 -0.36 0.00 0.00 175.35 177.62 1oz7 s TYR 127 N -1.05 -0.27 -0.23 4.03 -0.85 -0.89 -0.33 117.35 117.76 1oz7 s TYR 127 Ca -0.10 0.41 -0.17 0.00 -0.52 0.00 0.00 57.07 56.68 1oz7 s TYR 127 Cb -0.01 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1oz7 s TYR 127 CO 0.09 -0.29 0.47 -1.25 -1.52 0.00 0.00 175.55 173.05 1oz7 s PRO 128 N -1.48 4.13 0.38 -3.49 0.04 -1.26 -1.33 135.00 131.99 1oz7 s PRO 128 Ca 0.02 0.28 0.14 0.00 0.04 0.00 0.00 61.00 61.49 1oz7 s PRO 128 Cb -0.01 -3.59 0.97 0.00 0.04 0.00 0.00 34.50 31.91 1oz7 s PRO 128 CO -0.02 -0.20 1.81 0.28 0.04 0.00 0.00 177.00 178.92 1oz7 h VAL 129 N 5.21 0.66 0.00 -0.36 2.07 -1.94 0.78 116.25 122.67 1oz7 h VAL 129 Ca -0.33 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1oz7 h VAL 129 Cb 1.15 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1oz7 h VAL 129 CO 0.71 0.10 0.00 -2.65 0.02 0.00 0.00 177.57 175.75 1oz7 n PRO 130 N -4.61 0.59 -1.00 1.57 -0.02 -1.26 -5.12 135.00 125.15 1oz7 n PRO 130 Ca 0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1oz7 n PRO 130 Cb 0.69 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 1oz7 n PRO 130 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37