#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1if6 n HIS 4 N 0.00 2.45 -0.95 1.57 -0.00 -1.26 -4.91 115.22 112.12 1if6 n HIS 4 Ca 0.00 -0.02 -0.32 0.00 -0.00 0.00 0.00 57.72 57.38 1if6 n HIS 4 Cb 0.00 -2.67 0.14 0.00 -0.00 0.00 0.00 29.99 27.46 1if6 n HIS 4 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.34 178.01 1if6 s TRP 5 N 2.74 1.78 0.00 1.57 1.48 -1.26 -4.95 118.94 120.31 1if6 s TRP 5 Ca 0.85 1.72 0.00 0.00 -1.06 0.00 0.00 56.10 57.61 1if6 s TRP 5 Cb -0.59 -3.39 0.00 0.00 -1.16 0.00 0.00 33.47 28.34 1if6 s TRP 5 CO 0.42 -2.74 0.00 0.41 -4.06 0.00 0.00 176.95 170.97 1if6 n GLY 6 N 0.23 2.78 0.15 3.67 0.00 -0.21 -5.04 105.19 106.77 1if6 n GLY 6 Ca 0.12 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.39 1if6 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1if6 n TYR 7 N 0.00 0.10 -2.02 1.61 4.01 -1.26 -3.84 117.16 115.75 1if6 n TYR 7 Ca 0.00 -0.42 -0.28 0.00 -0.16 0.00 0.00 57.90 57.04 1if6 n TYR 7 Cb 0.00 -0.04 0.11 0.00 -0.31 0.00 0.00 39.34 39.10 1if6 n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1if6 s GLY 8 N -0.88 1.67 0.33 2.72 0.00 -1.26 -4.68 107.32 105.21 1if6 s GLY 8 Ca 0.05 -0.91 0.07 0.00 0.00 0.00 0.00 44.72 43.94 1if6 s GLY 8 CO 0.04 -0.37 1.84 1.70 0.00 0.00 0.00 173.10 176.31 1if6 h LYS 9 N -1.05 0.74 0.00 2.90 1.63 -1.98 0.99 116.57 119.80 1if6 h LYS 9 Ca -0.45 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1if6 h LYS 9 Cb 1.30 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1if6 h LYS 9 CO 0.57 0.49 -0.75 0.72 -3.45 0.00 0.00 179.45 177.03 1if6 n HIS 10 N -4.61 0.06 -2.13 1.91 8.25 -1.26 -4.36 115.22 113.08 1if6 n HIS 10 Ca 0.19 0.02 0.01 0.00 -0.26 0.00 0.00 57.72 57.68 1if6 n HIS 10 Cb 0.48 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1if6 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1if6 n ASN 11 N -1.60 0.25 -3.86 0.41 0.23 -1.03 -4.98 115.26 104.68 1if6 n ASN 11 Ca 0.04 -1.98 -0.29 0.00 -0.53 0.00 0.00 54.58 51.82 1if6 n ASN 11 Cb 0.35 -0.22 0.20 0.00 -2.08 0.00 0.00 39.78 38.04 1if6 n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1if6 n GLY 12 N 0.13 -1.48 0.36 4.83 0.00 0.31 -1.05 105.19 108.30 1if6 n GLY 12 Ca 0.01 -1.71 0.31 0.00 0.00 0.00 0.00 46.02 44.63 1if6 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1if6 h PRO 13 N 0.00 0.10 0.00 1.61 0.11 -1.86 0.22 132.00 132.19 1if6 h PRO 13 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1if6 h PRO 13 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1if6 h PRO 13 CO 0.30 0.07 0.00 -0.85 -0.21 0.00 0.00 178.00 177.31 1if6 n GLU 14 N -5.06 0.54 -0.00 1.05 0.00 -1.26 -2.63 120.64 113.28 1if6 n GLU 14 Ca 0.36 0.03 0.05 0.00 0.00 0.00 0.00 57.16 57.61 1if6 n GLU 14 Cb 1.25 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 31.12 1if6 n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1if6 n HIS 15 N -1.12 0.00 -0.11 -1.84 8.25 0.76 -4.67 115.22 116.49 1if6 n HIS 15 Ca 0.14 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.81 1if6 n HIS 15 Cb 0.12 -0.20 0.64 0.00 1.12 0.00 0.00 29.99 31.67 1if6 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1if6 h TRP 16 N 0.00 0.17 0.00 4.41 6.55 -1.35 -1.61 115.95 124.12 1if6 h TRP 16 Ca 0.00 0.01 -0.01 0.00 0.95 0.00 0.00 58.89 59.84 1if6 h TRP 16 Cb 0.42 -0.05 -0.00 0.00 -0.86 0.00 0.00 29.16 28.67 1if6 h TRP 16 CO 0.00 0.06 -0.03 1.12 -1.05 0.00 0.00 178.44 178.53 1if6 h HIS 17 N 0.14 0.00 -0.82 0.49 2.07 -1.77 0.70 115.15 115.95 1if6 h HIS 17 Ca 0.35 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.84 1if6 h HIS 17 Cb 1.18 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.12 1if6 h HIS 17 CO -0.00 0.03 0.41 0.87 -3.07 0.00 0.00 177.93 176.17 1if6 h LYS 18 N 0.00 1.17 0.00 5.12 1.57 -1.64 -3.13 116.57 119.65 1if6 h LYS 18 Ca -0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1if6 h LYS 18 Cb 0.08 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1if6 h LYS 18 CO 0.00 0.88 -1.84 -0.25 -0.57 0.00 0.00 179.45 177.68 1if6 n ASP 19 N -4.32 0.48 -3.70 0.86 8.00 -1.04 -4.73 116.55 112.10 1if6 n ASP 19 Ca 0.08 -0.07 -0.28 0.00 0.71 0.00 0.00 54.79 55.24 1if6 n ASP 19 Cb 0.13 1.85 -0.11 0.00 -0.02 0.00 0.00 41.12 42.96 1if6 n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1if6 s PHE 20 N -3.34 2.56 0.49 1.24 0.08 0.21 -4.99 117.98 114.24 1if6 s PHE 20 Ca -0.06 -2.92 0.32 0.00 0.12 0.00 0.00 56.93 54.38 1if6 s PHE 20 Cb 0.13 -1.99 1.43 0.00 -0.57 0.00 0.00 43.02 42.01 1if6 s PHE 20 CO 0.83 -0.66 1.76 -1.35 -0.10 0.00 0.00 175.22 175.69 1if6 h PRO 21 N 5.53 0.12 0.00 0.24 0.11 -1.79 -0.78 132.00 135.43 1if6 h PRO 21 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1if6 h PRO 21 Cb 0.82 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1if6 h PRO 21 CO 0.58 0.08 0.04 1.51 -0.21 0.00 0.00 178.00 180.00 1if6 n ILE 22 N -4.34 1.26 -0.14 4.15 0.13 -1.26 -2.49 119.36 116.66 1if6 n ILE 22 Ca 0.28 0.66 0.25 0.00 -1.10 0.00 0.00 62.75 62.84 1if6 n ILE 22 Cb 1.21 -1.66 0.69 0.00 -0.84 0.00 0.00 39.64 39.04 1if6 n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1if6 h ALA 23 N 1.87 2.67 -0.59 1.51 0.00 -1.45 0.16 119.26 123.43 1if6 h ALA 23 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1if6 h ALA 23 Cb 0.09 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1if6 h ALA 23 CO 0.00 -0.90 0.00 1.63 0.00 0.00 0.00 179.25 179.98 1if6 n LYS 24 N -4.33 4.14 -0.31 0.00 5.02 -1.04 -4.97 118.16 116.66 1if6 n LYS 24 Ca 0.16 -2.99 -0.25 0.00 -2.02 0.00 0.00 58.31 53.22 1if6 n LYS 24 Cb 0.83 -2.03 0.24 0.00 -0.02 0.00 0.00 35.03 34.05 1if6 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1if6 n GLY 25 N 0.80 -3.70 0.16 0.72 0.00 0.56 -4.99 105.19 98.74 1if6 n GLY 25 Ca 0.26 -1.32 0.12 0.00 0.00 0.00 0.00 46.02 45.08 1if6 n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1if6 h GLU 26 N 0.00 0.00 -2.18 1.61 4.39 -1.95 -3.39 114.58 113.06 1if6 h GLU 26 Ca -0.33 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 58.82 1if6 h GLU 26 Cb 1.08 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.32 1if6 h GLU 26 CO 0.20 0.00 -0.85 2.89 -1.16 0.00 0.00 179.01 180.09 1if6 n ARG 27 N -2.84 2.38 -3.45 2.33 1.85 -1.26 -4.69 116.66 110.98 1if6 n ARG 27 Ca 0.02 -4.30 -0.31 0.00 -1.00 0.00 0.00 57.85 52.25 1if6 n ARG 27 Cb 0.54 -2.04 -0.05 0.00 -1.05 0.00 0.00 32.46 29.87 1if6 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1if6 s GLN 28 N -3.07 3.75 0.28 2.89 -1.52 -1.26 -3.01 119.66 117.72 1if6 s GLN 28 Ca 0.46 0.18 0.10 0.00 -1.95 0.00 0.00 55.36 54.15 1if6 s GLN 28 Cb 0.30 -2.68 -0.05 0.00 -0.22 0.00 0.00 33.01 30.36 1if6 s GLN 28 CO -0.12 0.33 -0.15 -1.12 -0.25 0.00 0.00 175.29 173.98 1if6 s SER 29 N -2.47 3.33 0.76 5.90 0.01 -1.26 -4.66 113.70 115.31 1if6 s SER 29 Ca 0.46 -1.08 -0.07 0.00 1.31 0.00 0.00 55.95 56.57 1if6 s SER 29 Cb -0.11 -0.26 0.11 0.00 0.21 0.00 0.00 66.02 65.96 1if6 s SER 29 CO 0.23 -0.10 1.07 -2.16 0.41 0.00 0.00 173.24 172.69 1if6 s PRO 30 N -3.58 1.71 0.24 12.44 0.04 -1.26 -4.58 135.00 140.01 1if6 s PRO 30 Ca 0.29 -0.56 0.02 0.00 0.04 0.00 0.00 61.00 60.78 1if6 s PRO 30 Cb -0.02 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1if6 s PRO 30 CO 0.13 -1.54 0.06 0.14 0.04 0.00 0.00 177.00 175.84 1if6 s VAL 31 N -3.34 0.65 -0.06 -0.36 -7.23 -1.26 0.84 120.40 109.63 1if6 s VAL 31 Ca 0.65 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.63 1if6 s VAL 31 Cb -0.08 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 1if6 s VAL 31 CO 0.46 -0.14 0.53 -0.62 -0.31 0.00 0.00 175.10 175.02 1if6 s ASP 32 N -3.29 6.82 -0.49 4.85 2.15 -1.26 -3.55 116.67 121.90 1if6 s ASP 32 Ca 0.34 0.98 -0.23 0.00 0.43 0.00 0.00 52.55 54.07 1if6 s ASP 32 Cb 0.07 -2.32 0.04 0.00 -0.30 0.00 0.00 42.92 40.41 1if6 s ASP 32 CO 0.11 0.05 0.81 -0.63 -0.17 0.00 0.00 175.17 175.34 1if6 s ILE 33 N 0.22 4.60 -0.54 4.11 -1.09 0.99 -4.93 121.20 124.56 1if6 s ILE 33 Ca 0.29 0.22 -0.20 0.00 -2.23 0.00 0.00 60.65 58.73 1if6 s ILE 33 Cb -0.17 -4.39 0.07 0.00 -1.58 0.00 0.00 42.46 36.40 1if6 s ILE 33 CO 0.14 -0.86 0.71 -0.62 -1.23 0.00 0.00 174.94 173.08 1if6 s ASP 34 N 2.45 6.22 0.43 3.58 2.15 -1.26 0.32 116.67 130.56 1if6 s ASP 34 Ca 0.27 -0.97 0.13 0.00 0.43 0.00 0.00 52.55 52.42 1if6 s ASP 34 Cb -0.13 -2.32 1.00 0.00 -0.30 0.00 0.00 42.92 41.17 1if6 s ASP 34 CO 0.20 -1.03 1.97 0.71 -0.17 0.00 0.00 175.17 176.85 1if6 h THR 35 N 5.90 0.90 0.00 1.71 1.35 -1.96 -2.12 112.91 118.69 1if6 h THR 35 Ca -0.28 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1if6 h THR 35 Cb 1.09 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1if6 h THR 35 CO 1.03 0.08 0.00 0.45 -0.25 0.00 0.00 175.52 176.83 1if6 h HIS 36 N 0.44 0.00 0.00 4.73 3.86 -2.03 -3.25 115.15 118.90 1if6 h HIS 36 Ca 0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1if6 h HIS 36 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1if6 h HIS 36 CO -0.00 0.00 -1.56 2.41 0.86 0.00 0.00 177.93 179.64 1if6 n THR 37 N -2.51 0.00 -2.04 2.45 -1.04 -0.85 -4.98 114.28 105.31 1if6 n THR 37 Ca 0.04 -0.32 -0.41 0.00 -2.04 0.00 0.00 64.05 61.32 1if6 n THR 37 Cb 0.40 0.35 -0.02 0.00 -1.82 0.00 0.00 70.33 69.24 1if6 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1if6 s ALA 38 N -3.14 3.56 -0.42 2.41 0.00 -0.91 -4.85 121.76 118.40 1if6 s ALA 38 Ca -0.03 1.33 -0.21 0.00 0.00 0.00 0.00 51.96 53.05 1if6 s ALA 38 Cb 0.13 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.74 1if6 s ALA 38 CO 0.78 -0.73 0.67 0.15 0.00 0.00 0.00 175.76 176.63 1if6 s LYS 39 N -1.26 3.38 0.01 0.00 -0.14 0.03 -4.83 119.74 116.93 1if6 s LYS 39 Ca 0.53 -0.23 -0.30 0.00 -1.36 0.00 0.00 55.97 54.61 1if6 s LYS 39 Cb -0.41 -3.92 -0.06 0.00 -1.68 0.00 0.00 37.83 31.75 1if6 s LYS 39 CO 0.50 -0.98 1.57 -0.47 -0.76 0.00 0.00 175.35 175.21 1if6 s TYR 40 N 2.90 2.44 -0.25 3.18 5.04 -1.26 -0.56 117.35 128.84 1if6 s TYR 40 Ca 0.24 0.45 0.02 0.00 -2.44 0.00 0.00 57.07 55.35 1if6 s TYR 40 Cb -0.14 -3.85 0.05 0.00 0.35 0.00 0.00 41.96 38.38 1if6 s TYR 40 CO 0.19 -3.37 -0.12 0.34 -1.34 0.00 0.00 175.55 171.25 1if6 s ASP 41 N 2.50 4.25 0.11 4.32 -1.08 -0.15 -4.86 116.67 121.76 1if6 s ASP 41 Ca 0.70 -1.27 0.23 0.00 -0.52 0.00 0.00 52.55 51.69 1if6 s ASP 41 Cb -0.35 -1.54 0.91 0.00 -1.46 0.00 0.00 42.92 40.48 1if6 s ASP 41 CO 0.29 -0.16 1.71 -0.81 0.52 0.00 0.00 175.17 176.73 1if6 n PRO 42 N 4.47 0.11 0.00 4.34 -0.04 -1.26 -2.90 135.00 139.72 1if6 n PRO 42 Ca -0.15 0.22 0.15 0.00 -0.04 0.00 0.00 63.50 63.68 1if6 n PRO 42 Cb 0.43 -1.67 0.70 0.00 -0.04 0.00 0.00 33.50 32.93 1if6 n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1if6 n SER 43 N -1.86 0.76 -4.78 3.54 3.41 -1.26 -4.84 113.62 108.59 1if6 n SER 43 Ca 0.04 -1.18 -0.37 0.00 -0.26 0.00 0.00 58.87 57.10 1if6 n SER 43 Cb 0.29 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 1if6 n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1if6 s LEU 44 N -2.07 4.24 0.37 1.04 1.43 -1.14 -5.05 118.68 117.51 1if6 s LEU 44 Ca 0.41 2.08 0.02 0.00 -1.03 0.00 0.00 54.13 55.61 1if6 s LEU 44 Cb 0.21 -4.05 -0.02 0.00 0.03 0.00 0.00 46.19 42.37 1if6 s LEU 44 CO 0.37 -0.40 0.56 -0.54 0.23 0.00 0.00 176.35 176.58 1if6 s LYS 45 N -2.23 3.25 0.63 1.70 3.01 -1.17 -4.98 119.74 119.95 1if6 s LYS 45 Ca 0.54 -0.55 -0.15 0.00 -1.01 0.00 0.00 55.97 54.80 1if6 s LYS 45 Cb -0.24 -2.67 -0.02 0.00 -1.01 0.00 0.00 37.83 33.89 1if6 s LYS 45 CO 0.30 -0.00 1.07 -1.25 0.51 0.00 0.00 175.35 175.99 1if6 s PRO 46 N -4.35 3.08 0.42 -1.68 0.04 -1.26 -2.87 135.00 128.37 1if6 s PRO 46 Ca 0.43 1.23 -0.23 0.00 0.04 0.00 0.00 61.00 62.47 1if6 s PRO 46 Cb -0.10 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 1if6 s PRO 46 CO 0.35 -1.01 1.09 -0.51 0.04 0.00 0.00 177.00 176.96 1if6 s LEU 47 N -4.78 4.09 -0.26 -3.56 1.43 -1.26 -1.99 118.68 112.34 1if6 s LEU 47 Ca 0.64 2.12 0.02 0.00 -1.03 0.00 0.00 54.13 55.88 1if6 s LEU 47 Cb -0.17 -4.22 0.07 0.00 0.03 0.00 0.00 46.19 41.90 1if6 s LEU 47 CO 0.41 -0.64 -0.06 -0.55 0.23 0.00 0.00 176.35 175.74 1if6 s SER 48 N -1.51 4.19 -0.27 2.29 0.15 -0.35 -4.90 113.70 113.30 1if6 s SER 48 Ca 0.60 -1.40 -0.02 0.00 0.70 0.00 0.00 55.95 55.84 1if6 s SER 48 Cb -0.24 -1.36 0.04 0.00 -1.71 0.00 0.00 66.02 62.75 1if6 s SER 48 CO 0.30 -0.24 -0.04 -0.69 1.20 0.00 0.00 173.24 173.76 1if6 s VAL 49 N 1.24 2.91 -0.50 4.45 1.01 -1.26 -0.95 120.40 127.29 1if6 s VAL 49 Ca -0.04 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1if6 s VAL 49 Cb -0.19 -2.56 0.13 0.00 0.00 0.00 0.00 36.38 33.76 1if6 s VAL 49 CO -0.07 0.07 0.27 -0.44 0.00 0.00 0.00 175.10 174.93 1if6 s SER 50 N 1.29 4.91 -0.11 3.32 0.01 -0.38 -4.90 113.70 117.84 1if6 s SER 50 Ca -0.02 -2.58 0.14 0.00 1.31 0.00 0.00 55.95 54.80 1if6 s SER 50 Cb -0.18 -1.75 0.35 0.00 0.21 0.00 0.00 66.02 64.65 1if6 s SER 50 CO -0.03 -0.37 1.25 -1.22 0.41 0.00 0.00 173.24 173.28 1if6 n TYR 51 N 3.78 0.44 0.17 2.43 4.01 -1.26 -0.41 117.16 126.32 1if6 n TYR 51 Ca 0.04 -0.81 0.02 0.00 -0.16 0.00 0.00 57.90 57.00 1if6 n TYR 51 Cb 0.38 -0.18 0.29 0.00 -0.31 0.00 0.00 39.34 39.52 1if6 n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1if6 h ASP 52 N 1.03 0.00 -0.62 7.72 2.03 -1.91 -3.15 116.42 121.52 1if6 h ASP 52 Ca 0.00 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.07 1if6 h ASP 52 Cb 1.07 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.43 1if6 h ASP 52 CO 0.09 0.46 0.22 0.00 -1.03 0.00 0.00 179.24 178.98 1if6 n GLN 53 N -3.81 2.84 -2.26 4.15 1.13 -1.18 -5.02 117.38 113.23 1if6 n GLN 53 Ca -0.01 -3.06 -0.41 0.00 -1.94 0.00 0.00 57.00 51.57 1if6 n GLN 53 Cb 0.51 -2.05 -0.03 0.00 0.11 0.00 0.00 30.24 28.78 1if6 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1if6 s ALA 54 N -3.09 3.50 -0.35 -1.58 0.00 -1.19 -4.59 121.76 114.46 1if6 s ALA 54 Ca 0.51 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.55 1if6 s ALA 54 Cb 0.42 -3.47 0.10 0.00 0.00 0.00 0.00 23.12 20.18 1if6 s ALA 54 CO 0.09 -0.50 0.08 0.99 0.00 0.00 0.00 175.76 176.42 1if6 s THR 55 N 0.13 2.59 0.60 0.00 2.01 -1.26 -4.86 115.64 114.85 1if6 s THR 55 Ca 0.56 -2.16 -0.14 0.00 0.31 0.00 0.00 61.69 60.26 1if6 s THR 55 Cb -0.35 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 1if6 s THR 55 CO 0.37 -0.55 1.04 -0.94 -0.69 0.00 0.00 174.62 173.85 1if6 s SER 56 N 1.19 5.90 0.00 3.53 1.04 -1.26 -1.46 113.70 122.64 1if6 s SER 56 Ca 0.08 1.68 0.00 0.00 0.48 0.00 0.00 55.95 58.19 1if6 s SER 56 Cb -0.20 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.40 1if6 s SER 56 CO -0.06 -1.09 0.00 0.18 0.98 0.00 0.00 173.24 173.25 1if6 n LEU 57 N -2.26 0.29 -3.68 2.42 4.77 0.03 -4.23 117.00 114.35 1if6 n LEU 57 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 1if6 n LEU 57 Cb 0.53 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 1if6 n LEU 57 CO 0.50 -0.15 0.14 -0.60 -1.33 0.00 0.00 177.39 175.94 1if6 s ARG 58 N -1.90 0.88 -0.07 3.23 3.52 -1.21 -1.16 118.95 122.23 1if6 s ARG 58 Ca 0.00 -0.31 0.05 0.00 -0.13 0.00 0.00 55.73 55.34 1if6 s ARG 58 Cb 0.00 0.39 -0.01 0.00 -1.56 0.00 0.00 34.95 33.78 1if6 s ARG 58 CO 0.00 -0.29 -0.24 -1.50 -0.81 0.00 0.00 175.30 172.46 1if6 s ILE 59 N -2.23 2.00 0.01 4.11 2.07 -0.30 -0.83 121.20 126.03 1if6 s ILE 59 Ca -0.07 -1.02 0.00 0.00 -1.41 0.00 0.00 60.65 58.15 1if6 s ILE 59 Cb -0.01 -1.71 -0.01 0.00 0.13 0.00 0.00 42.46 40.86 1if6 s ILE 59 CO -0.01 0.55 -0.02 -0.22 -1.91 0.00 0.00 174.94 173.34 1if6 s LEU 60 N -0.01 2.13 -0.37 8.50 2.96 -0.52 -0.75 118.68 130.62 1if6 s LEU 60 Ca -0.08 -0.28 -0.15 0.00 -0.22 0.00 0.00 54.13 53.41 1if6 s LEU 60 Cb -0.15 0.03 0.00 0.00 0.50 0.00 0.00 46.19 46.58 1if6 s LEU 60 CO 0.05 -0.16 0.31 0.21 -1.32 0.00 0.00 176.35 175.44 1if6 s ASN 61 N -0.81 6.12 0.00 3.68 3.84 -0.39 -0.95 114.94 126.44 1if6 s ASN 61 Ca -0.08 -0.57 0.23 0.00 0.21 0.00 0.00 52.86 52.64 1if6 s ASN 61 Cb -0.06 -2.17 0.56 0.00 -0.55 0.00 0.00 41.25 39.04 1if6 s ASN 61 CO -0.00 -0.37 1.49 -0.46 -2.79 0.00 0.00 177.10 174.96 1if6 n ASN 62 N 5.25 3.67 0.00 -4.21 6.94 -0.53 -0.58 115.26 125.80 1if6 n ASN 62 Ca -0.11 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.46 1if6 n ASN 62 Cb 0.48 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 1if6 n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1if6 n GLY 63 N 1.59 1.07 0.00 4.83 0.00 -1.26 -4.78 105.19 106.63 1if6 n GLY 63 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1if6 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1if6 n HIS 64 N -2.00 0.00 -3.80 1.61 8.25 -1.26 -4.78 115.22 113.24 1if6 n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1if6 n HIS 64 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 1if6 n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1if6 n ALA 65 N -1.68 -1.27 -2.38 -1.41 0.00 -1.26 -4.85 120.51 107.66 1if6 n ALA 65 Ca 0.00 -0.34 -0.32 0.00 0.00 0.00 0.00 53.44 52.78 1if6 n ALA 65 Cb 0.39 0.12 -0.15 0.00 0.00 0.00 0.00 19.45 19.81 1if6 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1if6 s PHE 66 N -3.36 2.49 0.19 0.00 -0.71 -1.26 -1.45 117.98 113.88 1if6 s PHE 66 Ca 0.11 -0.32 0.11 0.00 -1.04 0.00 0.00 56.93 55.78 1if6 s PHE 66 Cb -0.01 -1.55 -0.04 0.00 -1.21 0.00 0.00 43.02 40.21 1if6 s PHE 66 CO 0.01 0.06 -0.21 -0.80 -1.34 0.00 0.00 175.22 172.94 1if6 s ASN 67 N -0.67 3.62 -0.21 1.98 0.01 -0.12 -4.30 114.94 115.25 1if6 s ASN 67 Ca 0.11 -0.80 -0.02 0.00 -0.71 0.00 0.00 52.86 51.43 1if6 s ASN 67 Cb -0.10 -0.36 0.01 0.00 0.41 0.00 0.00 41.25 41.21 1if6 s ASN 67 CO -0.00 0.12 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.91 1if6 s VAL 68 N -1.69 2.81 -0.01 1.60 1.01 -0.72 -1.44 120.40 121.95 1if6 s VAL 68 Ca 0.22 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 1if6 s VAL 68 Cb -0.08 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1if6 s VAL 68 CO 0.11 0.43 0.23 -1.61 0.00 0.00 0.00 175.10 174.26 1if6 s GLU 69 N 1.38 3.53 0.17 2.72 2.02 -0.01 -2.14 118.70 126.37 1if6 s GLU 69 Ca 0.05 -0.15 0.10 0.00 0.02 0.00 0.00 54.97 54.99 1if6 s GLU 69 Cb -0.14 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 1if6 s GLU 69 CO -0.07 0.67 -0.23 -0.06 0.02 0.00 0.00 175.26 175.59 1if6 s PHE 70 N -1.28 2.13 -0.51 1.61 0.40 -0.51 -0.79 117.98 119.02 1if6 s PHE 70 Ca 0.26 -0.39 -0.27 0.00 -0.60 0.00 0.00 56.93 55.92 1if6 s PHE 70 Cb -0.13 -1.08 -0.01 0.00 0.51 0.00 0.00 43.02 42.31 1if6 s PHE 70 CO 0.16 0.41 1.72 0.34 0.70 0.00 0.00 175.22 178.55 1if6 s ASP 71 N -2.51 5.69 -0.37 1.36 3.68 -0.53 -4.79 116.67 119.20 1if6 s ASP 71 Ca 0.17 0.62 0.07 0.00 2.13 0.00 0.00 52.55 55.54 1if6 s ASP 71 Cb -0.08 -2.53 0.63 0.00 -1.45 0.00 0.00 42.92 39.49 1if6 s ASP 71 CO 0.08 -2.00 1.75 -0.90 0.13 0.00 0.00 175.17 174.23 1if6 n ASP 72 N 11.16 3.60 -0.00 -0.34 5.75 -1.26 -4.50 116.55 130.95 1if6 n ASP 72 Ca 0.19 -3.56 0.14 0.00 -0.01 0.00 0.00 54.79 51.56 1if6 n ASP 72 Cb 0.50 -0.75 0.69 0.00 -1.03 0.00 0.00 41.12 40.53 1if6 n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1if6 n SER 73 N -0.93 0.03 -3.96 -1.12 3.41 -1.26 -4.87 113.62 104.93 1if6 n SER 73 Ca 0.47 0.07 -0.10 0.00 -0.26 0.00 0.00 58.87 59.06 1if6 n SER 73 Cb 1.41 -0.35 -0.07 0.00 -0.26 0.00 0.00 64.21 64.94 1if6 n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1if6 s GLN 74 N -2.73 1.17 -1.14 4.33 -0.21 -1.26 -5.05 119.66 114.77 1if6 s GLN 74 Ca 0.23 -1.17 -0.17 0.00 0.02 0.00 0.00 55.36 54.27 1if6 s GLN 74 Cb 0.20 0.38 -0.05 0.00 1.00 0.00 0.00 33.01 34.54 1if6 s GLN 74 CO 0.49 -0.43 2.10 -0.25 -2.12 0.00 0.00 175.29 175.08 1if6 n ASP 75 N -0.22 3.33 -0.03 5.90 8.00 -1.26 -4.53 116.55 127.75 1if6 n ASP 75 Ca -0.07 -2.76 -0.13 0.00 0.71 0.00 0.00 54.79 52.54 1if6 n ASP 75 Cb 0.63 -1.40 -0.14 0.00 -0.02 0.00 0.00 41.12 40.19 1if6 n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1if6 n LYS 76 N 6.45 0.67 -3.42 -1.24 5.02 -1.26 -4.82 118.16 119.56 1if6 n LYS 76 Ca 0.51 0.25 -0.16 0.00 -2.02 0.00 0.00 58.31 56.89 1if6 n LYS 76 Cb 0.39 -1.73 -0.10 0.00 -0.02 0.00 0.00 35.03 33.56 1if6 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1if6 s ALA 77 N -2.57 -0.50 0.41 7.82 0.00 -1.25 -3.12 121.76 122.55 1if6 s ALA 77 Ca -0.11 0.02 0.06 0.00 0.00 0.00 0.00 51.96 51.92 1if6 s ALA 77 Cb 0.07 -1.65 -0.07 0.00 0.00 0.00 0.00 23.12 21.48 1if6 s ALA 77 CO 0.80 -1.51 0.02 0.14 0.00 0.00 0.00 175.76 175.21 1if6 s VAL 78 N 2.38 1.70 -0.03 0.00 -7.23 0.45 -2.53 120.40 115.14 1if6 s VAL 78 Ca 0.09 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 1if6 s VAL 78 Cb -0.15 -2.82 0.02 0.00 0.56 0.00 0.00 36.38 33.99 1if6 s VAL 78 CO -0.25 0.00 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.29 1if6 s LEU 79 N -3.70 1.46 0.33 1.32 2.96 -0.82 -1.25 118.68 118.99 1if6 s LEU 79 Ca 0.30 -0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1if6 s LEU 79 Cb 0.08 -0.32 -0.00 0.00 0.50 0.00 0.00 46.19 46.45 1if6 s LEU 79 CO 0.15 -0.04 0.43 -0.75 -1.32 0.00 0.00 176.35 174.83 1if6 s LYS 80 N 0.66 1.83 1.95 1.98 2.20 -0.13 -2.29 119.74 125.95 1if6 s LYS 80 Ca -0.08 -1.75 0.00 0.00 -0.36 0.00 0.00 55.97 53.78 1if6 s LYS 80 Cb -0.11 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 1if6 s LYS 80 CO -0.00 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.65 1if6 n GLY 81 N -0.54 -1.27 7.00 5.54 0.00 -1.26 -1.21 105.19 113.44 1if6 n GLY 81 Ca 0.02 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1if6 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1if6 n GLY 82 N 0.00 2.93 0.65 -0.02 0.00 -0.84 -1.87 105.19 106.04 1if6 n GLY 82 Ca 0.00 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.84 1if6 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1if6 n PRO 83 N 13.70 1.86 -2.95 1.61 -0.04 -1.26 -3.03 135.00 144.89 1if6 n PRO 83 Ca 0.00 -1.28 -0.28 0.00 -0.04 0.00 0.00 63.50 61.90 1if6 n PRO 83 Cb 0.00 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.02 1if6 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1if6 s LEU 84 N -1.61 3.83 -0.10 1.53 1.43 -0.78 -5.09 118.68 117.89 1if6 s LEU 84 Ca 0.33 0.89 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 1if6 s LEU 84 Cb 0.19 -3.78 0.02 0.00 0.03 0.00 0.00 46.19 42.64 1if6 s LEU 84 CO 0.28 -0.40 -0.11 -1.81 0.23 0.00 0.00 176.35 174.54 1if6 s ASP 85 N -3.59 2.14 0.00 2.29 1.01 -1.26 -4.40 116.67 112.86 1if6 s ASP 85 Ca 0.47 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 53.39 1if6 s ASP 85 Cb -0.10 -0.91 0.00 0.00 1.01 0.00 0.00 42.92 42.92 1if6 s ASP 85 CO 0.36 -0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.31 1if6 n GLY 86 N 4.47 -3.28 3.61 0.21 0.00 -1.26 -4.95 105.19 103.99 1if6 n GLY 86 Ca -0.17 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.50 1if6 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1if6 s THR 87 N -0.66 4.22 -0.12 2.61 2.01 -1.26 -4.63 115.64 117.82 1if6 s THR 87 Ca 0.00 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.76 1if6 s THR 87 Cb 0.00 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 1if6 s THR 87 CO 0.00 0.55 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.99 1if6 s TYR 88 N -0.32 2.69 -0.03 4.92 1.51 -0.97 -1.28 117.35 123.88 1if6 s TYR 88 Ca 0.06 -0.85 -0.16 0.00 -1.01 0.00 0.00 57.07 55.11 1if6 s TYR 88 Cb -0.12 -1.78 -0.05 0.00 -0.11 0.00 0.00 41.96 39.89 1if6 s TYR 88 CO 0.02 -0.32 0.43 1.03 -1.11 0.00 0.00 175.55 175.60 1if6 s ARG 89 N 0.37 4.05 0.01 -0.62 0.52 -0.53 -1.93 118.95 120.81 1if6 s ARG 89 Ca -0.14 0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 55.20 1if6 s ARG 89 Cb -0.17 -3.28 -0.05 0.00 0.52 0.00 0.00 34.95 31.97 1if6 s ARG 89 CO 0.07 0.55 1.26 -1.17 0.02 0.00 0.00 175.30 176.03 1if6 s LEU 90 N -0.65 4.33 -0.06 2.53 2.96 -1.05 -1.57 118.68 125.16 1if6 s LEU 90 Ca 0.24 1.99 0.04 0.00 -0.22 0.00 0.00 54.13 56.19 1if6 s LEU 90 Cb -0.16 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.89 1if6 s LEU 90 CO 0.13 -0.58 -0.00 0.00 -1.32 0.00 0.00 176.35 174.58 1if6 n ILE 91 N 4.33 0.42 -3.57 6.68 3.06 -0.34 -4.54 119.36 125.40 1if6 n ILE 91 Ca 0.11 -0.23 -0.06 0.00 -2.50 0.00 0.00 62.75 60.06 1if6 n ILE 91 Cb 0.45 -0.82 -0.02 0.00 0.54 0.00 0.00 39.64 39.79 1if6 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1if6 s GLN 92 N -2.15 0.80 0.02 9.51 1.03 -1.23 -1.43 119.66 126.22 1if6 s GLN 92 Ca -0.05 -0.34 0.02 0.00 0.04 0.00 0.00 55.36 55.03 1if6 s GLN 92 Cb 0.02 0.34 -0.01 0.00 0.03 0.00 0.00 33.01 33.38 1if6 s GLN 92 CO 0.23 -0.35 -0.06 -0.59 -2.54 0.00 0.00 175.29 171.98 1if6 s PHE 93 N -3.02 0.51 0.27 9.60 -0.12 -0.91 -0.72 117.98 123.60 1if6 s PHE 93 Ca 0.08 -0.30 -0.05 0.00 -0.05 0.00 0.00 56.93 56.61 1if6 s PHE 93 Cb -0.01 -0.32 -0.02 0.00 -0.63 0.00 0.00 43.02 42.05 1if6 s PHE 93 CO -0.06 -0.05 0.36 -3.38 -0.05 0.00 0.00 175.22 172.03 1if6 s HIS 94 N -0.77 0.91 0.22 3.49 -3.43 -0.83 -1.76 115.29 113.13 1if6 s HIS 94 Ca -0.05 -1.16 0.09 0.00 -0.80 0.00 0.00 55.06 53.14 1if6 s HIS 94 Cb -0.06 -0.19 -0.05 0.00 -1.43 0.00 0.00 32.58 30.86 1if6 s HIS 94 CO 0.00 -0.92 -0.16 -0.06 -2.00 0.00 0.00 174.74 171.61 1if6 s PHE 95 N -3.74 1.83 -0.05 0.38 0.40 -1.26 -1.00 117.98 114.54 1if6 s PHE 95 Ca 0.31 -0.52 0.03 0.00 -0.60 0.00 0.00 56.93 56.15 1if6 s PHE 95 Cb 0.02 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.72 1if6 s PHE 95 CO 0.15 0.43 -0.14 -1.01 0.70 0.00 0.00 175.22 175.35 1if6 s HIS 96 N -2.84 1.48 0.25 0.36 3.76 -0.42 -4.80 115.29 113.09 1if6 s HIS 96 Ca 0.24 -0.47 -0.10 0.00 -0.15 0.00 0.00 55.06 54.57 1if6 s HIS 96 Cb -0.02 -1.04 -0.01 0.00 1.11 0.00 0.00 32.58 32.62 1if6 s HIS 96 CO 0.08 -0.20 0.44 1.67 -0.85 0.00 0.00 174.74 175.88 1if6 s TRP 97 N 0.32 0.53 0.51 1.40 -2.14 -1.21 -0.82 118.94 117.53 1if6 s TRP 97 Ca -0.08 -0.86 0.03 0.00 2.66 0.00 0.00 56.10 57.84 1if6 s TRP 97 Cb -0.13 0.08 -0.01 0.00 -3.10 0.00 0.00 33.47 30.31 1if6 s TRP 97 CO 0.03 -0.97 0.09 0.20 -2.66 0.00 0.00 176.95 173.63 1if6 s GLY 98 N -3.06 2.85 0.43 3.67 0.00 -1.20 -0.88 107.32 109.13 1if6 s GLY 98 Ca 0.25 -0.71 0.25 0.00 0.00 0.00 0.00 44.72 44.51 1if6 s GLY 98 CO 0.11 -2.13 1.67 1.48 0.00 0.00 0.00 173.10 174.22 1if6 h SER 99 N 1.25 0.00 -4.63 1.64 4.64 -1.89 -3.40 113.55 111.16 1if6 h SER 99 Ca -0.42 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.64 1if6 h SER 99 Cb 1.31 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.22 1if6 h SER 99 CO 0.71 0.00 -0.72 -0.76 -0.87 0.00 0.00 176.83 175.19 1if6 s LEU 100 N -6.05 2.39 0.43 5.97 1.43 -1.26 -5.05 118.68 116.54 1if6 s LEU 100 Ca 0.07 -0.80 0.30 0.00 -1.03 0.00 0.00 54.13 52.67 1if6 s LEU 100 Cb 0.06 -0.15 1.48 0.00 0.03 0.00 0.00 46.19 47.61 1if6 s LEU 100 CO 0.65 -0.33 1.90 0.44 0.23 0.00 0.00 176.35 179.23 1if6 h ASP 101 N 3.66 0.00 -0.39 2.29 3.32 -1.91 -2.65 116.42 120.74 1if6 h ASP 101 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1if6 h ASP 101 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1if6 h ASP 101 CO 0.53 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.66 1if6 n GLY 102 N -0.78 1.56 3.44 2.75 0.00 -1.26 -3.51 105.19 107.39 1if6 n GLY 102 Ca -0.01 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 1if6 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1if6 s GLN 103 N -1.67 1.29 0.00 1.61 -2.07 -1.00 -4.72 119.66 113.10 1if6 s GLN 103 Ca 0.30 -0.60 0.00 0.00 -1.82 0.00 0.00 55.36 53.24 1if6 s GLN 103 Cb 0.19 0.56 0.00 0.00 -1.09 0.00 0.00 33.01 32.67 1if6 s GLN 103 CO 0.15 -0.56 0.00 0.41 -1.32 0.00 0.00 175.29 173.98 1if6 n GLY 104 N -0.35 3.99 3.80 2.60 0.00 -1.19 -3.23 105.19 110.81 1if6 n GLY 104 Ca -0.15 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 1if6 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1if6 s SER 105 N 0.00 5.20 -0.20 1.61 1.04 -0.95 -3.33 113.70 117.07 1if6 s SER 105 Ca 0.00 1.74 -0.18 0.00 0.48 0.00 0.00 55.95 57.99 1if6 s SER 105 Cb 0.00 -2.51 -0.14 0.00 0.10 0.00 0.00 66.02 63.47 1if6 s SER 105 CO 0.00 -1.57 0.02 -0.62 0.98 0.00 0.00 173.24 172.05 1if6 n GLU 106 N -2.99 0.54 -2.19 4.02 1.02 -1.26 -4.85 120.64 114.93 1if6 n GLU 106 Ca 0.08 0.50 -0.31 0.00 -0.02 0.00 0.00 57.16 57.42 1if6 n GLU 106 Cb 0.53 -1.68 -0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1if6 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1if6 s HIS 107 N -2.38 3.57 0.10 -0.32 3.76 -1.26 -4.45 115.29 114.31 1if6 s HIS 107 Ca -0.28 1.22 0.03 0.00 -0.15 0.00 0.00 55.06 55.89 1if6 s HIS 107 Cb 0.06 -2.64 -0.04 0.00 1.11 0.00 0.00 32.58 31.08 1if6 s HIS 107 CO 0.49 -0.50 -0.09 0.95 -0.85 0.00 0.00 174.74 174.74 1if6 s THR 108 N -2.92 0.88 -0.19 1.30 -4.23 -1.23 -4.70 115.64 104.54 1if6 s THR 108 Ca 0.54 -1.75 0.01 0.00 -1.18 0.00 0.00 61.69 59.31 1if6 s THR 108 Cb -0.11 -1.48 0.03 0.00 1.34 0.00 0.00 72.50 72.28 1if6 s THR 108 CO 0.46 -0.67 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.01 1if6 s VAL 109 N -2.84 2.03 -1.34 2.29 1.01 -0.93 -0.01 120.40 120.60 1if6 s VAL 109 Ca 0.08 -1.03 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1if6 s VAL 109 Cb -0.00 -1.89 0.03 0.00 0.00 0.00 0.00 36.38 34.52 1if6 s VAL 109 CO -0.01 0.43 0.37 0.47 0.00 0.00 0.00 175.10 176.37 1if6 n ASP 110 N 4.60 -4.62 0.00 3.32 8.00 0.15 -0.87 116.55 127.13 1if6 n ASP 110 Ca -0.19 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.11 1if6 n ASP 110 Cb 0.49 -3.81 0.00 0.00 -0.02 0.00 0.00 41.12 37.77 1if6 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1if6 n LYS 111 N -3.55 -0.00 -2.91 -1.24 4.76 -1.26 -5.03 118.16 108.92 1if6 n LYS 111 Ca -0.09 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.94 1if6 n LYS 111 Cb 0.59 -2.51 -0.04 0.00 -1.84 0.00 0.00 35.03 31.23 1if6 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1if6 s LYS 112 N -0.00 4.41 -0.07 1.97 2.20 -0.05 -5.01 119.74 123.20 1if6 s LYS 112 Ca 0.00 1.05 -0.08 0.00 -0.36 0.00 0.00 55.97 56.58 1if6 s LYS 112 Cb 0.00 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1if6 s LYS 112 CO 0.00 -0.10 0.22 0.15 -0.36 0.00 0.00 175.35 175.26 1if6 s LYS 113 N 1.34 3.57 0.51 4.03 1.02 -1.26 -2.20 119.74 126.74 1if6 s LYS 113 Ca 0.41 -0.02 0.08 0.00 0.02 0.00 0.00 55.97 56.46 1if6 s LYS 113 Cb -0.18 -3.17 0.05 0.00 -0.52 0.00 0.00 37.83 34.01 1if6 s LYS 113 CO 0.18 0.73 0.70 0.71 -0.92 0.00 0.00 175.35 176.75 1if6 s TYR 114 N -1.11 2.20 0.24 3.18 2.02 -1.26 -4.68 117.35 117.95 1if6 s TYR 114 Ca 0.20 -0.49 0.24 0.00 -0.37 0.00 0.00 57.07 56.65 1if6 s TYR 114 Cb -0.13 -2.38 1.05 0.00 -0.40 0.00 0.00 41.96 40.10 1if6 s TYR 114 CO 0.09 -0.81 1.89 0.00 -1.57 0.00 0.00 175.55 175.15 1if6 h ALA 115 N 0.35 1.11 -2.38 3.71 0.00 -1.45 -2.51 119.26 118.10 1if6 h ALA 115 Ca -0.36 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.53 1if6 h ALA 115 Cb 1.28 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1if6 h ALA 115 CO 0.44 0.27 0.54 0.00 0.00 0.00 0.00 179.25 180.50 1if6 s ALA 116 N -3.84 -1.64 -0.07 0.00 0.00 -1.16 -3.49 121.76 111.56 1if6 s ALA 116 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 1if6 s ALA 116 Cb 0.11 0.67 0.04 0.00 0.00 0.00 0.00 23.12 23.94 1if6 s ALA 116 CO 0.63 -1.05 0.15 -2.00 0.00 0.00 0.00 175.76 173.49 1if6 s GLU 117 N -2.78 0.11 -0.15 0.00 2.12 0.00 -1.62 118.70 116.37 1if6 s GLU 117 Ca 0.16 0.36 -0.09 0.00 0.36 0.00 0.00 54.97 55.76 1if6 s GLU 117 Cb -0.02 -0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.19 1if6 s GLU 117 CO 0.03 -0.15 0.17 -1.17 -0.54 0.00 0.00 175.26 173.60 1if6 s LEU 118 N 1.04 4.30 -0.23 2.70 2.96 0.72 -1.30 118.68 128.88 1if6 s LEU 118 Ca -0.08 0.40 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 1if6 s LEU 118 Cb -0.10 -2.14 0.04 0.00 0.50 0.00 0.00 46.19 44.50 1if6 s LEU 118 CO -0.05 0.27 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.11 1if6 s HIS 119 N -0.27 3.01 -0.42 5.38 3.76 -0.17 -1.00 115.29 125.58 1if6 s HIS 119 Ca 0.13 -2.02 -0.17 0.00 -0.15 0.00 0.00 55.06 52.85 1if6 s HIS 119 Cb -0.12 -1.89 0.02 0.00 1.11 0.00 0.00 32.58 31.70 1if6 s HIS 119 CO 0.02 -0.84 0.40 -0.51 -0.85 0.00 0.00 174.74 172.95 1if6 s LEU 120 N 1.20 4.99 -0.10 0.89 1.02 -0.33 -1.95 118.68 124.38 1if6 s LEU 120 Ca -0.04 -0.79 -0.20 0.00 0.02 0.00 0.00 54.13 53.13 1if6 s LEU 120 Cb -0.17 -2.31 -0.04 0.00 0.02 0.00 0.00 46.19 43.69 1if6 s LEU 120 CO -0.08 -0.55 0.55 -0.69 0.02 0.00 0.00 176.35 175.60 1if6 s VAL 121 N 1.98 5.14 0.07 -1.59 1.01 0.11 -1.42 120.40 125.70 1if6 s VAL 121 Ca 0.09 1.12 0.05 0.00 0.00 0.00 0.00 61.98 63.25 1if6 s VAL 121 Cb -0.18 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1if6 s VAL 121 CO 0.12 0.30 -0.14 -1.00 0.00 0.00 0.00 175.10 174.38 1if6 s HIS 122 N 0.70 1.21 0.05 5.22 3.76 -0.53 -1.20 115.29 124.49 1if6 s HIS 122 Ca 0.30 -0.46 0.07 0.00 -0.15 0.00 0.00 55.06 54.82 1if6 s HIS 122 Cb -0.16 -0.68 -0.03 0.00 1.11 0.00 0.00 32.58 32.82 1if6 s HIS 122 CO 0.13 0.06 -0.20 1.67 -0.85 0.00 0.00 174.74 175.55 1if6 s TRP 123 N -1.25 1.72 -0.16 1.40 1.48 -0.61 -1.48 118.94 120.04 1if6 s TRP 123 Ca -0.02 -0.37 -0.29 0.00 -1.06 0.00 0.00 56.10 54.36 1if6 s TRP 123 Cb -0.10 -1.02 -0.05 0.00 -1.16 0.00 0.00 33.47 31.14 1if6 s TRP 123 CO 0.02 0.09 1.94 1.21 -4.06 0.00 0.00 176.95 176.15 1if6 s ASN 124 N -1.21 6.02 0.56 -2.66 3.84 0.23 -1.45 114.94 120.28 1if6 s ASN 124 Ca 0.07 1.96 0.26 0.00 0.21 0.00 0.00 52.86 55.35 1if6 s ASN 124 Cb -0.09 -2.52 1.54 0.00 -0.55 0.00 0.00 41.25 39.63 1if6 s ASN 124 CO 0.02 -1.50 2.10 0.71 -2.79 0.00 0.00 177.10 175.64 1if6 h THR 125 N 6.43 0.63 0.00 -5.21 1.35 -1.54 -1.45 112.91 113.12 1if6 h THR 125 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1if6 h THR 125 Cb 1.21 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1if6 h THR 125 CO 0.97 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.53 1if6 n LYS 127 N -4.07 0.12 0.00 4.72 2.85 -1.26 -2.19 118.16 118.32 1if6 n LYS 127 Ca 0.02 0.57 0.13 0.00 -1.05 0.00 0.00 58.31 57.98 1if6 n LYS 127 Cb 0.32 -1.85 0.32 0.00 -0.65 0.00 0.00 35.03 33.18 1if6 n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1if6 n TYR 128 N -2.09 0.00 0.00 5.58 4.01 -0.55 -5.01 117.16 119.10 1if6 n TYR 128 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1if6 n TYR 128 Cb 0.06 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 1if6 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1if6 n GLY 129 N 1.30 2.00 3.46 2.72 0.00 -0.93 -4.59 105.19 109.15 1if6 n GLY 129 Ca 0.14 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1if6 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1if6 s ASP 130 N 0.00 -0.02 0.19 1.61 1.47 -1.26 -5.05 116.67 113.60 1if6 s ASP 130 Ca 0.00 -1.01 -0.12 0.00 1.18 0.00 0.00 52.55 52.59 1if6 s ASP 130 Cb 0.00 0.52 0.12 0.00 -0.34 0.00 0.00 42.92 43.21 1if6 s ASP 130 CO 0.00 -1.03 1.85 0.15 0.68 0.00 0.00 175.17 176.82 1if6 h PHE 131 N 2.38 0.75 -1.01 2.11 3.57 -1.96 -2.81 116.94 119.98 1if6 h PHE 131 Ca -0.29 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.36 1if6 h PHE 131 Cb 1.25 -0.25 -0.09 0.00 2.79 0.00 0.00 35.95 39.65 1if6 h PHE 131 CO 0.39 0.46 0.63 0.78 -2.23 0.00 0.00 178.31 178.33 1if6 h GLY 132 N 0.80 1.67 1.40 2.40 0.00 -1.97 -2.00 103.07 105.37 1if6 h GLY 132 Ca 0.23 -0.41 -0.19 0.00 0.00 0.00 0.00 47.33 46.96 1if6 h GLY 132 CO -0.07 0.12 -0.69 0.50 0.00 0.00 0.00 176.54 176.40 1if6 h LYS 133 N 0.96 0.61 -0.26 4.80 1.79 -1.77 -3.24 116.57 119.46 1if6 h LYS 133 Ca 0.51 -0.46 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1if6 h LYS 133 Cb 0.57 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.29 1if6 h LYS 133 CO -0.29 1.08 0.11 0.00 -1.08 0.00 0.00 179.45 179.28 1if6 h ALA 134 N 0.80 1.72 0.00 3.86 0.00 -1.15 -1.91 119.26 122.57 1if6 h ALA 134 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1if6 h ALA 134 Cb 1.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1if6 h ALA 134 CO 0.13 0.23 0.00 1.33 0.00 0.00 0.00 179.25 180.94 1if6 n VAL 135 N -4.44 0.00 0.39 0.00 0.24 -1.04 -2.01 118.33 111.47 1if6 n VAL 135 Ca 0.01 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 1if6 n VAL 135 Cb 0.12 -0.36 0.02 0.00 -1.47 0.00 0.00 33.84 32.15 1if6 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1if6 n GLN 136 N -0.67 1.03 -4.34 7.34 6.02 -0.72 -4.91 117.38 121.14 1if6 n GLN 136 Ca 0.05 -0.86 -0.31 0.00 -0.01 0.00 0.00 57.00 55.86 1if6 n GLN 136 Cb 0.02 -1.13 -0.10 0.00 1.02 0.00 0.00 30.24 30.06 1if6 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1if6 s GLN 137 N -0.96 2.50 0.58 -1.09 -1.52 -0.85 -5.02 119.66 113.29 1if6 s GLN 137 Ca 0.09 -0.79 0.33 0.00 -1.95 0.00 0.00 55.36 53.05 1if6 s GLN 137 Cb 0.08 -2.49 1.77 0.00 -0.22 0.00 0.00 33.01 32.14 1if6 s GLN 137 CO 0.16 0.58 2.18 -1.00 -0.25 0.00 0.00 175.29 176.95 1if6 h PRO 138 N 4.15 0.00 -0.67 2.91 0.13 -1.86 -2.42 132.00 134.24 1if6 h PRO 138 Ca -0.48 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.17 1if6 h PRO 138 Cb 1.17 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.89 1if6 h PRO 138 CO 0.55 0.05 -0.86 -0.40 -0.23 0.00 0.00 178.00 177.11 1if6 n ASP 139 N -3.49 4.26 0.09 1.44 5.68 -1.26 -4.26 116.55 119.02 1if6 n ASP 139 Ca -0.02 -3.47 -0.04 0.00 -0.50 0.00 0.00 54.79 50.76 1if6 n ASP 139 Cb 0.17 -0.37 -0.07 0.00 -1.14 0.00 0.00 41.12 39.71 1if6 n ASP 139 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1if6 h GLY 140 N 2.20 0.00 -3.70 6.12 0.00 -1.27 -3.43 103.07 102.99 1if6 h GLY 140 Ca 0.27 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 47.15 1if6 h GLY 140 CO 0.64 0.00 -0.77 1.08 0.00 0.00 0.00 176.54 177.48 1if6 s LEU 141 N -6.60 2.39 -0.10 3.11 1.43 -0.50 -0.60 118.68 117.80 1if6 s LEU 141 Ca 0.02 -0.79 -0.02 0.00 -1.03 0.00 0.00 54.13 52.31 1if6 s LEU 141 Cb 0.09 -0.64 0.04 0.00 0.03 0.00 0.00 46.19 45.70 1if6 s LEU 141 CO 0.79 -0.09 0.02 0.00 0.23 0.00 0.00 176.35 177.30 1if6 s ALA 142 N -1.92 0.71 -0.13 4.21 0.00 -0.55 -0.99 121.76 123.09 1if6 s ALA 142 Ca 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.79 1if6 s ALA 142 Cb -0.06 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1if6 s ALA 142 CO 0.04 -0.67 -0.10 0.08 0.00 0.00 0.00 175.76 175.10 1if6 s VAL 143 N 1.97 3.33 -0.22 0.00 1.01 -1.11 -1.46 120.40 123.93 1if6 s VAL 143 Ca 0.03 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 1if6 s VAL 143 Cb -0.14 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1if6 s VAL 143 CO -0.06 0.52 0.41 -0.22 0.00 0.00 0.00 175.10 175.75 1if6 s LEU 144 N 0.28 4.13 -0.13 3.92 2.96 -0.50 -2.11 118.68 127.22 1if6 s LEU 144 Ca -0.07 0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 54.28 1if6 s LEU 144 Cb -0.15 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.99 1if6 s LEU 144 CO 0.05 -0.11 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.12 1if6 s GLY 145 N 1.18 1.77 -0.07 7.98 0.00 0.25 -1.19 107.32 117.24 1if6 s GLY 145 Ca 0.19 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 44.11 1if6 s GLY 145 CO 0.08 -0.22 -0.09 -0.42 0.00 0.00 0.00 173.10 172.45 1if6 s ILE 146 N -0.03 0.93 0.36 0.90 1.01 -0.17 -1.28 121.20 122.92 1if6 s ILE 146 Ca 0.02 -0.32 -0.19 0.00 0.00 0.00 0.00 60.65 60.16 1if6 s ILE 146 Cb -0.13 -0.90 -0.10 0.00 0.01 0.00 0.00 42.46 41.34 1if6 s ILE 146 CO 0.02 0.32 0.85 -0.36 0.00 0.00 0.00 174.94 175.77 1if6 s PHE 147 N 1.02 3.40 -0.11 3.97 0.08 -1.26 -0.20 117.98 124.88 1if6 s PHE 147 Ca -0.08 1.46 0.03 0.00 0.12 0.00 0.00 56.93 58.46 1if6 s PHE 147 Cb -0.15 -2.72 -0.00 0.00 -0.57 0.00 0.00 43.02 39.58 1if6 s PHE 147 CO -0.00 0.03 -0.22 -0.51 -0.10 0.00 0.00 175.22 174.43 1if6 s LEU 148 N -2.90 2.23 0.10 -0.37 1.02 -0.64 -1.51 118.68 116.61 1if6 s LEU 148 Ca 0.56 -0.51 0.09 0.00 0.02 0.00 0.00 54.13 54.30 1if6 s LEU 148 Cb -0.11 -1.45 -0.04 0.00 0.02 0.00 0.00 46.19 44.61 1if6 s LEU 148 CO 0.16 0.16 -0.22 -1.59 0.02 0.00 0.00 176.35 174.89 1if6 s LYS 149 N 0.33 1.72 -0.09 1.70 -2.85 -0.58 -2.04 119.74 117.93 1if6 s LYS 149 Ca -0.17 -1.18 -0.30 0.00 -1.00 0.00 0.00 55.97 53.32 1if6 s LYS 149 Cb -0.17 -2.05 -0.02 0.00 -2.06 0.00 0.00 37.83 33.53 1if6 s LYS 149 CO 0.08 0.49 1.13 0.08 0.10 0.00 0.00 175.35 177.23 1if6 s VAL 150 N -1.04 4.47 0.00 1.79 1.01 -1.26 -1.79 120.40 123.58 1if6 s VAL 150 Ca 0.15 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.90 1if6 s VAL 150 Cb -0.10 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1if6 s VAL 150 CO 0.07 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1if6 n GLY 151 N 3.29 1.54 3.85 4.51 0.00 -0.06 -4.88 105.19 113.44 1if6 n GLY 151 Ca 0.11 0.29 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 1if6 n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1if6 s SER 152 N 2.00 6.59 0.42 1.61 0.01 -1.26 -3.73 113.70 119.34 1if6 s SER 152 Ca 0.00 1.48 -0.26 0.00 1.31 0.00 0.00 55.95 58.48 1if6 s SER 152 Cb 0.00 -2.47 -0.09 0.00 0.21 0.00 0.00 66.02 63.67 1if6 s SER 152 CO 0.00 -0.56 1.41 0.00 0.41 0.00 0.00 173.24 174.50 1if6 s ALA 153 N -2.59 3.34 -0.40 1.44 0.00 -1.26 -2.57 121.76 119.71 1if6 s ALA 153 Ca 0.57 1.44 -0.14 0.00 0.00 0.00 0.00 51.96 53.83 1if6 s ALA 153 Cb -0.10 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.47 1if6 s ALA 153 CO 0.32 -1.07 0.27 0.21 0.00 0.00 0.00 175.76 175.49 1if6 s LYS 154 N -2.30 2.92 0.22 0.00 2.47 -1.24 -4.84 119.74 116.98 1if6 s LYS 154 Ca 0.58 -1.04 -0.08 0.00 -1.56 0.00 0.00 55.97 53.86 1if6 s LYS 154 Cb -0.43 -3.90 0.26 0.00 -1.46 0.00 0.00 37.83 32.29 1if6 s LYS 154 CO 0.56 -0.74 1.82 -1.35 0.16 0.00 0.00 175.35 175.81 1if6 h PRO 155 N 8.57 0.75 0.00 4.03 0.11 -1.92 -2.46 132.00 141.08 1if6 h PRO 155 Ca -0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1if6 h PRO 155 Cb 1.11 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1if6 h PRO 155 CO 0.71 0.50 0.00 0.41 -0.21 0.00 0.00 178.00 179.41 1if6 n GLY 156 N -1.30 -1.00 0.05 -0.55 0.00 -1.26 -1.69 105.19 99.44 1if6 n GLY 156 Ca 0.09 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.33 1if6 n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1if6 n LEU 157 N -2.08 0.55 -0.32 0.99 7.94 -0.93 -4.45 117.00 118.71 1if6 n LEU 157 Ca 0.01 0.06 0.08 0.00 -1.11 0.00 0.00 56.01 55.05 1if6 n LEU 157 Cb 0.12 -0.07 0.29 0.00 0.53 0.00 0.00 43.42 44.29 1if6 n LEU 157 CO 0.13 -0.02 1.23 -0.61 -1.11 0.00 0.00 177.39 177.01 1if6 h GLN 158 N 0.00 0.88 -0.38 1.96 5.75 -1.28 -1.62 115.11 120.42 1if6 h GLN 158 Ca 0.00 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1if6 h GLN 158 Cb 0.85 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 1if6 h GLN 158 CO 0.00 0.58 0.20 0.87 -2.65 0.00 0.00 178.83 177.83 1if6 h LYS 159 N 0.90 0.51 -0.11 1.69 1.57 -1.78 -1.57 116.57 117.79 1if6 h LYS 159 Ca 0.46 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.15 1if6 h LYS 159 Cb 0.50 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1if6 h LYS 159 CO -0.22 0.39 -0.08 0.28 -0.57 0.00 0.00 179.45 179.25 1if6 h VAL 160 N 0.52 1.34 -0.70 0.50 2.07 -1.59 -3.14 116.25 115.25 1if6 h VAL 160 Ca 0.13 -1.18 0.06 0.00 0.82 0.00 0.00 66.70 66.54 1if6 h VAL 160 Cb 0.03 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1if6 h VAL 160 CO -0.02 0.34 0.39 0.58 0.02 0.00 0.00 177.57 178.88 1if6 h VAL 161 N -0.14 0.97 -0.83 2.57 2.07 -1.05 -2.66 116.25 117.18 1if6 h VAL 161 Ca 0.02 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1if6 h VAL 161 Cb 0.57 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1if6 h VAL 161 CO 0.02 0.13 0.55 0.44 0.02 0.00 0.00 177.57 178.73 1if6 h ASP 162 N 0.72 0.91 1.10 0.57 3.32 -1.33 -2.95 116.42 118.76 1if6 h ASP 162 Ca 0.31 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1if6 h ASP 162 Cb 0.20 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1if6 h ASP 162 CO -0.19 0.64 -0.19 0.52 -1.72 0.00 0.00 179.24 178.31 1if6 n VAL 163 N -4.43 0.31 -0.24 -1.35 0.31 -1.01 -4.22 118.33 107.68 1if6 n VAL 163 Ca 0.10 -0.17 0.14 0.00 -0.01 0.00 0.00 64.34 64.41 1if6 n VAL 163 Cb 0.08 -0.37 0.43 0.00 -0.91 0.00 0.00 33.84 33.07 1if6 n VAL 163 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1if6 h LEU 164 N 0.00 0.56 -1.14 7.52 3.38 -1.38 -2.33 115.31 121.91 1if6 h LEU 164 Ca 0.00 0.04 0.23 0.00 0.09 0.00 0.00 57.88 58.24 1if6 h LEU 164 Cb 0.64 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.22 1if6 h LEU 164 CO 0.00 0.27 0.62 0.44 0.09 0.00 0.00 178.44 179.86 1if6 h ASP 165 N 0.58 0.63 0.35 -0.43 3.32 -1.79 -0.88 116.42 118.20 1if6 h ASP 165 Ca 0.44 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.59 1if6 h ASP 165 Cb 0.84 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1if6 h ASP 165 CO -0.19 0.16 -0.10 -1.54 -1.72 0.00 0.00 179.24 175.85 1if6 n SER 166 N -4.75 0.46 -2.33 6.45 3.41 -0.88 -3.84 113.62 112.14 1if6 n SER 166 Ca 0.25 -0.59 -0.21 0.00 -0.26 0.00 0.00 58.87 58.06 1if6 n SER 166 Cb 0.72 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.61 1if6 n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1if6 n ILE 167 N -0.94 2.19 -0.20 -1.33 -5.35 -0.34 -4.68 119.36 108.71 1if6 n ILE 167 Ca 0.15 -4.20 -0.07 0.00 -0.27 0.00 0.00 62.75 58.36 1if6 n ILE 167 Cb 0.27 -0.73 0.03 0.00 -1.74 0.00 0.00 39.64 37.47 1if6 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1if6 h LYS 168 N 2.44 0.78 -6.19 6.28 3.64 -1.65 -3.43 116.57 118.43 1if6 h LYS 168 Ca 0.24 -0.07 -0.54 0.00 -1.27 0.00 0.00 60.65 59.01 1if6 h LYS 168 Cb 1.27 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.85 1if6 h LYS 168 CO 0.70 0.57 -0.61 0.95 -2.27 0.00 0.00 179.45 178.79 1if6 s THR 169 N -5.96 3.65 0.03 1.00 -4.23 -1.26 -0.28 115.64 108.59 1if6 s THR 169 Ca -0.13 -1.77 -0.37 0.00 -1.18 0.00 0.00 61.69 58.25 1if6 s THR 169 Cb 0.13 -2.99 -0.16 0.00 1.34 0.00 0.00 72.50 70.81 1if6 s THR 169 CO 0.76 -0.35 1.47 1.17 -0.54 0.00 0.00 174.62 177.13 1if6 n LYS 170 N -0.99 1.36 0.00 3.99 4.81 -0.23 -2.06 118.16 125.04 1if6 n LYS 170 Ca -0.06 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1if6 n LYS 170 Cb 0.59 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.47 1if6 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1if6 n GLY 171 N 3.03 2.18 3.81 3.14 0.00 0.26 -4.41 105.19 113.19 1if6 n GLY 171 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1if6 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1if6 s LYS 172 N -0.96 4.33 0.06 1.61 1.02 -0.88 -4.88 119.74 120.04 1if6 s LYS 172 Ca 0.00 1.05 -0.04 0.00 0.02 0.00 0.00 55.97 57.01 1if6 s LYS 172 Cb 0.00 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 1if6 s LYS 172 CO 0.00 0.25 0.04 -1.54 -0.92 0.00 0.00 175.35 173.18 1if6 s SER 173 N -1.81 0.36 -0.01 2.83 1.04 -1.26 -1.26 113.70 113.59 1if6 s SER 173 Ca 0.50 -0.86 -0.03 0.00 0.48 0.00 0.00 55.95 56.04 1if6 s SER 173 Cb -0.15 0.24 -0.00 0.00 0.10 0.00 0.00 66.02 66.21 1if6 s SER 173 CO 0.20 -0.63 0.07 0.00 0.98 0.00 0.00 173.24 173.86 1if6 s ALA 174 N -3.78 -0.14 0.38 5.32 0.00 0.08 -4.93 121.76 118.68 1if6 s ALA 174 Ca 0.05 -0.12 -0.27 0.00 0.00 0.00 0.00 51.96 51.62 1if6 s ALA 174 Cb 0.06 0.02 -0.10 0.00 0.00 0.00 0.00 23.12 23.11 1if6 s ALA 174 CO -0.10 -0.13 1.35 -0.51 0.00 0.00 0.00 175.76 176.37 1if6 s ASP 175 N -0.83 6.43 -0.45 0.00 1.01 -1.26 -1.15 116.67 120.42 1if6 s ASP 175 Ca -0.09 2.75 0.07 0.00 0.71 0.00 0.00 52.55 55.99 1if6 s ASP 175 Cb -0.05 -2.65 0.22 0.00 1.01 0.00 0.00 42.92 41.45 1if6 s ASP 175 CO 0.00 -0.78 0.65 0.33 0.21 0.00 0.00 175.17 175.59 1if6 n PHE 176 N 0.37 -2.04 -3.08 4.23 7.35 -0.31 -4.78 117.46 119.21 1if6 n PHE 176 Ca 0.02 -2.55 -0.24 0.00 -0.76 0.00 0.00 57.45 53.92 1if6 n PHE 176 Cb 0.42 0.70 0.00 0.00 0.35 0.00 0.00 39.48 40.95 1if6 n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1if6 s THR 177 N -0.02 4.61 -1.53 -2.13 -4.23 -1.26 -3.07 115.64 108.01 1if6 s THR 177 Ca 0.33 -0.36 -0.02 0.00 -1.18 0.00 0.00 61.69 60.46 1if6 s THR 177 Cb 0.14 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.28 1if6 s THR 177 CO -0.16 -0.52 0.30 0.59 -0.54 0.00 0.00 174.62 174.29 1if6 n ASN 178 N -2.00 -5.67 -4.78 3.99 4.13 -1.26 -4.96 115.26 104.72 1if6 n ASN 178 Ca -0.01 -0.15 -0.38 0.00 1.68 0.00 0.00 54.58 55.72 1if6 n ASN 178 Cb 0.57 -4.59 -0.06 0.00 -1.54 0.00 0.00 39.78 34.15 1if6 n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1if6 s PHE 179 N -3.05 3.67 -0.38 3.10 5.36 -1.26 -5.01 117.98 120.40 1if6 s PHE 179 Ca 0.15 1.04 -0.13 0.00 -0.96 0.00 0.00 56.93 57.03 1if6 s PHE 179 Cb -0.06 -2.46 0.01 0.00 -0.34 0.00 0.00 43.02 40.16 1if6 s PHE 179 CO 0.18 0.43 0.24 0.34 -1.46 0.00 0.00 175.22 174.96 1if6 s ASP 180 N -0.39 5.93 0.18 6.13 -1.08 -1.26 -4.47 116.67 121.71 1if6 s ASP 180 Ca 0.26 -0.79 0.21 0.00 -0.52 0.00 0.00 52.55 51.71 1if6 s ASP 180 Cb -0.17 -2.10 0.88 0.00 -1.46 0.00 0.00 42.92 40.07 1if6 s ASP 180 CO 0.14 -0.36 1.65 -0.81 0.52 0.00 0.00 175.17 176.31 1if6 n PRO 181 N 5.08 0.14 0.29 4.34 -0.04 -1.26 -2.80 135.00 140.75 1if6 n PRO 181 Ca -0.12 0.36 0.19 0.00 -0.04 0.00 0.00 63.50 63.90 1if6 n PRO 181 Cb 0.47 -1.76 0.99 0.00 -0.04 0.00 0.00 33.50 33.16 1if6 n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1if6 h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -2.05 114.38 114.03 1if6 h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1if6 h ARG 182 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1if6 h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1if6 n GLY 183 N -0.87 -0.94 0.40 0.04 0.00 -1.12 -3.14 105.19 99.57 1if6 n GLY 183 Ca -0.02 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.89 1if6 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1if6 n LEU 184 N -0.93 1.78 -4.79 0.99 4.77 -0.77 -4.22 117.00 113.83 1if6 n LEU 184 Ca 0.20 -0.95 -0.38 0.00 -0.03 0.00 0.00 56.01 54.85 1if6 n LEU 184 Cb 0.09 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1if6 n LEU 184 CO 0.15 0.34 0.52 -0.76 -1.33 0.00 0.00 177.39 176.30 1if6 s LEU 185 N -1.11 4.47 1.06 2.23 1.43 -1.19 -4.94 118.68 120.64 1if6 s LEU 185 Ca 0.12 1.65 -0.17 0.00 -1.03 0.00 0.00 54.13 54.70 1if6 s LEU 185 Cb 0.09 -3.57 0.23 0.00 0.03 0.00 0.00 46.19 42.98 1if6 s LEU 185 CO 0.17 0.09 1.22 -2.16 0.23 0.00 0.00 176.35 175.90 1if6 s PRO 186 N -1.59 -0.12 0.05 1.29 0.04 -1.26 -4.99 135.00 128.41 1if6 s PRO 186 Ca 0.41 -0.21 -0.22 0.00 0.04 0.00 0.00 61.00 61.03 1if6 s PRO 186 Cb -0.20 -1.74 -0.13 0.00 0.04 0.00 0.00 34.50 32.46 1if6 s PRO 186 CO 0.25 -2.96 1.48 0.93 0.04 0.00 0.00 177.00 176.74 1if6 h GLU 187 N -2.04 0.22 -6.25 4.56 5.08 -1.92 -3.44 114.58 110.79 1if6 h GLU 187 Ca -0.45 -0.07 -0.57 0.00 -1.00 0.00 0.00 59.36 57.27 1if6 h GLU 187 Cb 1.27 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.46 1if6 h GLU 187 CO 0.38 0.47 -0.20 0.45 -1.00 0.00 0.00 179.01 179.10 1if6 s SER 188 N -5.73 6.61 -0.22 1.42 0.15 -1.26 -5.02 113.70 109.66 1if6 s SER 188 Ca -0.14 0.81 0.15 0.00 0.70 0.00 0.00 55.95 57.46 1if6 s SER 188 Cb 0.05 -2.18 0.58 0.00 -1.71 0.00 0.00 66.02 62.76 1if6 s SER 188 CO 0.71 0.05 1.50 0.18 1.20 0.00 0.00 173.24 176.88 1if6 n LEU 189 N 0.33 4.35 -4.77 3.45 4.77 -1.26 -4.74 117.00 119.13 1if6 n LEU 189 Ca -0.03 -3.15 -0.39 0.00 -0.03 0.00 0.00 56.01 52.40 1if6 n LEU 189 Cb 0.52 -0.60 -0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1if6 n LEU 189 CO 0.45 0.77 0.95 -1.81 -1.33 0.00 0.00 177.39 176.43 1if6 s ASP 190 N -1.83 6.23 0.21 -1.43 1.01 -1.26 -4.73 116.67 114.87 1if6 s ASP 190 Ca 0.45 2.64 -0.13 0.00 0.71 0.00 0.00 52.55 56.22 1if6 s ASP 190 Cb 0.37 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.67 1if6 s ASP 190 CO 0.09 -0.90 0.43 -0.72 0.21 0.00 0.00 175.17 174.27 1if6 s TYR 191 N -1.29 0.28 0.15 4.23 -0.85 -1.26 -0.97 117.35 117.64 1if6 s TYR 191 Ca 0.58 -0.63 0.08 0.00 -0.52 0.00 0.00 57.07 56.58 1if6 s TYR 191 Cb -0.37 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.08 1if6 s TYR 191 CO 0.48 -0.89 -0.07 -1.58 -1.52 0.00 0.00 175.55 171.97 1if6 s TRP 192 N -3.97 2.74 -0.02 -3.49 0.51 0.05 -1.90 118.94 112.84 1if6 s TRP 192 Ca 0.18 -0.17 -0.08 0.00 -2.12 0.00 0.00 56.10 53.91 1if6 s TRP 192 Cb 0.01 -1.37 0.01 0.00 -0.81 0.00 0.00 33.47 31.31 1if6 s TRP 192 CO 0.04 0.48 0.17 -0.08 -0.51 0.00 0.00 176.95 177.05 1if6 s THR 193 N -1.53 0.05 -0.03 2.01 -1.32 0.17 -1.40 115.64 113.58 1if6 s THR 193 Ca 0.24 -0.43 -0.29 0.00 -1.21 0.00 0.00 61.69 60.00 1if6 s THR 193 Cb -0.10 -0.39 0.11 0.00 -1.51 0.00 0.00 72.50 70.61 1if6 s THR 193 CO 0.16 -0.24 0.91 -0.72 -2.21 0.00 0.00 174.62 172.53 1if6 s TYR 194 N -0.85 -0.34 -0.02 9.09 1.13 -1.08 -1.13 117.35 124.15 1if6 s TYR 194 Ca -0.09 0.27 -0.30 0.00 -1.41 0.00 0.00 57.07 55.54 1if6 s TYR 194 Cb -0.05 0.52 -0.03 0.00 -1.10 0.00 0.00 41.96 41.30 1if6 s TYR 194 CO 0.01 -0.50 1.00 -2.14 -2.51 0.00 0.00 175.55 171.41 1if6 s PRO 195 N -2.80 4.52 0.00 -3.49 0.02 -1.26 -1.34 135.00 130.65 1if6 s PRO 195 Ca 0.04 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.50 1if6 s PRO 195 Cb -0.01 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1if6 s PRO 195 CO -0.07 -0.12 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 1if6 n GLY 196 N 2.96 4.55 2.60 0.52 0.00 0.91 -4.84 105.19 111.90 1if6 n GLY 196 Ca 0.07 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 1if6 n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1if6 n SER 197 N 0.00 -0.78 -4.77 1.61 3.41 -1.16 -2.60 113.62 109.32 1if6 n SER 197 Ca 0.00 -2.64 -0.34 0.00 -0.26 0.00 0.00 58.87 55.63 1if6 n SER 197 Cb 0.00 1.62 0.03 0.00 -0.26 0.00 0.00 64.21 65.60 1if6 n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1if6 s LEU 198 N 0.00 3.53 0.00 1.04 1.43 -0.70 -4.42 118.68 119.56 1if6 s LEU 198 Ca 0.28 2.06 0.25 0.00 -1.03 0.00 0.00 54.13 55.69 1if6 s LEU 198 Cb 0.01 -4.56 0.54 0.00 0.03 0.00 0.00 46.19 42.20 1if6 s LEU 198 CO 0.20 -1.44 1.45 0.35 0.23 0.00 0.00 176.35 177.14 1if6 n THR 199 N -1.96 0.08 -4.28 5.49 -2.24 -1.26 -4.51 114.28 105.60 1if6 n THR 199 Ca 0.11 -0.44 -0.15 0.00 -2.27 0.00 0.00 64.05 61.30 1if6 n THR 199 Cb 0.52 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.68 1if6 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1if6 s THR 200 N -1.92 1.28 0.65 4.28 -4.23 -1.26 -4.69 115.64 109.74 1if6 s THR 200 Ca 0.33 -2.09 -0.18 0.00 -1.18 0.00 0.00 61.69 58.57 1if6 s THR 200 Cb 0.20 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 1if6 s THR 200 CO 0.31 -0.67 1.04 -2.65 -0.54 0.00 0.00 174.62 172.11 1if6 n PRO 201 N -0.26 0.84 0.00 3.99 -0.02 -1.26 -0.53 135.00 137.76 1if6 n PRO 201 Ca -0.09 0.34 0.06 0.00 -2.02 0.00 0.00 63.50 61.79 1if6 n PRO 201 Cb 0.61 -2.27 0.38 0.00 -0.02 0.00 0.00 33.50 32.21 1if6 n PRO 201 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1if6 n PRO 202 N -1.45 0.41 -2.71 0.52 -0.02 -1.26 -5.00 135.00 125.50 1if6 n PRO 202 Ca 0.14 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.42 1if6 n PRO 202 Cb 0.48 -1.49 0.01 0.00 -0.02 0.00 0.00 33.50 32.48 1if6 n PRO 202 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1if6 n LEU 203 N -0.99 -2.06 -4.77 2.45 4.77 0.31 -4.90 117.00 111.81 1if6 n LEU 203 Ca 0.10 -0.11 -0.40 0.00 -0.03 0.00 0.00 56.01 55.56 1if6 n LEU 203 Cb 0.04 -2.78 -0.02 0.00 -2.33 0.00 0.00 43.42 38.34 1if6 n LEU 203 CO 0.07 -0.01 0.97 -0.76 -1.33 0.00 0.00 177.39 176.33 1if6 s LEU 204 N -6.25 4.37 -1.19 2.23 1.43 -1.26 -4.51 118.68 113.50 1if6 s LEU 204 Ca 0.14 2.67 -0.09 0.00 -1.03 0.00 0.00 54.13 55.83 1if6 s LEU 204 Cb -0.06 -3.72 0.23 0.00 0.03 0.00 0.00 46.19 42.66 1if6 s LEU 204 CO 0.17 -0.62 1.56 -0.62 0.23 0.00 0.00 176.35 177.08 1if6 n GLU 205 N 0.60 3.81 -0.02 1.70 1.02 -1.26 -1.72 120.64 124.76 1if6 n GLU 205 Ca 0.01 -4.03 0.01 0.00 -0.02 0.00 0.00 57.16 53.14 1if6 n GLU 205 Cb 0.42 -2.77 0.02 0.00 -0.02 0.00 0.00 31.44 29.08 1if6 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1if6 s VAL 207 N -0.98 3.59 -0.33 0.00 1.01 -1.07 -1.41 120.40 121.20 1if6 s VAL 207 Ca 0.04 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 1if6 s VAL 207 Cb 0.03 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1if6 s VAL 207 CO 0.00 0.58 0.17 -0.89 0.00 0.00 0.00 175.10 174.96 1if6 s THR 208 N -0.60 4.58 -0.08 3.92 2.01 -0.16 -0.06 115.64 125.24 1if6 s THR 208 Ca 0.09 -0.57 -0.19 0.00 0.31 0.00 0.00 61.69 61.33 1if6 s THR 208 Cb -0.12 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1if6 s THR 208 CO 0.02 -0.03 0.54 0.26 -0.69 0.00 0.00 174.62 174.71 1if6 s TRP 209 N 1.59 3.56 -0.29 4.92 0.52 -0.45 -2.75 118.94 126.04 1if6 s TRP 209 Ca 0.04 1.01 0.02 0.00 0.02 0.00 0.00 56.10 57.19 1if6 s TRP 209 Cb -0.18 -2.60 0.08 0.00 -1.15 0.00 0.00 33.47 29.63 1if6 s TRP 209 CO 0.06 0.20 0.01 0.42 0.02 0.00 0.00 176.95 177.67 1if6 s ILE 210 N 0.45 1.76 -0.22 2.03 1.01 -0.90 -2.63 121.20 122.71 1if6 s ILE 210 Ca 0.29 -1.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.11 1if6 s ILE 210 Cb -0.16 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1if6 s ILE 210 CO 0.13 -0.41 0.08 -0.69 0.00 0.00 0.00 174.94 174.05 1if6 s VAL 211 N 1.21 4.66 0.29 2.92 1.01 -0.49 -0.59 120.40 129.42 1if6 s VAL 211 Ca 0.04 -0.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.67 1if6 s VAL 211 Cb -0.19 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.96 1if6 s VAL 211 CO -0.11 0.40 1.05 -0.76 0.00 0.00 0.00 175.10 175.68 1if6 s LEU 212 N 0.95 4.49 0.14 3.92 1.43 -0.41 -0.77 118.68 128.43 1if6 s LEU 212 Ca 0.04 2.15 -0.12 0.00 -1.03 0.00 0.00 54.13 55.18 1if6 s LEU 212 Cb -0.14 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 1if6 s LEU 212 CO 0.03 -0.14 1.48 0.50 0.23 0.00 0.00 176.35 178.45 1if6 h LYS 213 N 3.62 0.90 -5.35 1.70 3.64 -1.40 -3.44 116.57 116.24 1if6 h LYS 213 Ca -0.47 -0.44 -0.63 0.00 -1.27 0.00 0.00 60.65 57.84 1if6 h LYS 213 Cb 1.21 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.89 1if6 h LYS 213 CO 0.66 1.09 0.01 -2.00 -2.27 0.00 0.00 179.45 176.95 1if6 s GLU 214 N -4.48 3.85 0.75 1.90 2.12 -1.26 -5.05 118.70 116.54 1if6 s GLU 214 Ca -0.11 0.13 -0.12 0.00 0.36 0.00 0.00 54.97 55.22 1if6 s GLU 214 Cb 0.11 -3.73 0.04 0.00 0.26 0.00 0.00 34.13 30.81 1if6 s GLU 214 CO 0.86 -0.52 1.12 -1.25 -0.54 0.00 0.00 175.26 174.93 1if6 s PRO 215 N 2.42 2.44 0.23 4.30 0.04 -1.26 -4.74 135.00 138.44 1if6 s PRO 215 Ca 0.21 0.38 0.06 0.00 0.04 0.00 0.00 61.00 61.69 1if6 s PRO 215 Cb -0.15 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1if6 s PRO 215 CO 0.12 -1.31 0.25 0.96 0.04 0.00 0.00 177.00 177.05 1if6 s ILE 216 N -3.39 4.76 -0.14 0.56 -4.36 -0.57 -4.88 121.20 113.19 1if6 s ILE 216 Ca 0.60 -1.20 -0.05 0.00 -0.26 0.00 0.00 60.65 59.74 1if6 s ILE 216 Cb -0.12 -3.56 -0.04 0.00 1.25 0.00 0.00 42.46 40.00 1if6 s ILE 216 CO 0.51 -0.31 0.05 -0.44 0.24 0.00 0.00 174.94 174.99 1if6 s SER 217 N -3.78 5.55 0.02 4.36 0.01 -1.26 -1.52 113.70 117.08 1if6 s SER 217 Ca 0.33 0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.75 1if6 s SER 217 Cb -0.09 -1.81 -0.02 0.00 0.21 0.00 0.00 66.02 64.32 1if6 s SER 217 CO 0.26 0.28 -0.05 0.68 0.41 0.00 0.00 173.24 174.82 1if6 s VAL 218 N -0.27 0.31 0.63 3.43 -7.23 -0.74 -3.64 120.40 112.88 1if6 s VAL 218 Ca 0.08 -0.74 -0.12 0.00 -1.81 0.00 0.00 61.98 59.39 1if6 s VAL 218 Cb -0.12 -0.37 -0.03 0.00 0.56 0.00 0.00 36.38 36.42 1if6 s VAL 218 CO 0.02 -0.29 1.03 -0.94 -0.31 0.00 0.00 175.10 174.61 1if6 s SER 219 N -1.09 6.03 0.22 4.85 1.04 -1.18 -0.88 113.70 122.69 1if6 s SER 219 Ca -0.09 1.51 -0.08 0.00 0.48 0.00 0.00 55.95 57.77 1if6 s SER 219 Cb -0.07 -2.48 0.33 0.00 0.10 0.00 0.00 66.02 63.90 1if6 s SER 219 CO -0.00 -1.00 1.71 0.28 0.98 0.00 0.00 173.24 175.21 1if6 h SER 220 N -0.24 0.08 -0.22 7.02 0.02 -1.94 -0.41 113.55 117.84 1if6 h SER 220 Ca -0.44 0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.56 1if6 h SER 220 Cb 1.20 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 1if6 h SER 220 CO 0.60 0.04 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.96 1if6 h GLU 221 N 0.31 0.55 0.32 3.45 3.07 -1.96 0.21 114.58 120.53 1if6 h GLU 221 Ca 0.34 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 59.05 1if6 h GLU 221 Cb 0.50 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1if6 h GLU 221 CO -0.40 0.60 -0.15 1.96 -1.40 0.00 0.00 179.01 179.62 1if6 h GLN 222 N 0.52 -0.41 -0.16 2.33 4.20 -1.49 -2.89 115.11 117.22 1if6 h GLN 222 Ca 0.11 0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 1if6 h GLN 222 Cb 0.39 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1if6 h GLN 222 CO 0.02 -0.18 -0.23 0.28 -0.67 0.00 0.00 178.83 178.05 1if6 h VAL 223 N -0.58 1.23 -1.00 -0.54 2.07 -1.12 -2.91 116.25 113.39 1if6 h VAL 223 Ca -0.04 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.45 1if6 h VAL 223 Cb 0.43 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 1if6 h VAL 223 CO 0.07 0.33 0.65 0.25 0.02 0.00 0.00 177.57 178.89 1if6 h LEU 224 N 0.25 1.06 -1.80 2.57 7.12 -0.52 -1.33 115.31 122.66 1if6 h LEU 224 Ca 0.04 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1if6 h LEU 224 Cb 0.55 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.45 1if6 h LEU 224 CO 0.04 0.70 0.00 0.11 -0.13 0.00 0.00 178.44 179.16 1if6 h LYS 225 N 1.21 0.00 -0.18 1.25 1.57 -1.30 -2.53 116.57 116.59 1if6 h LYS 225 Ca 0.41 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.10 1if6 h LYS 225 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1if6 h LYS 225 CO -0.15 0.00 -0.24 0.74 -0.57 0.00 0.00 179.45 179.23 1if6 h PHE 226 N 0.00 0.60 0.00 -1.35 -1.00 -1.34 -3.11 116.94 110.74 1if6 h PHE 226 Ca 0.00 -0.19 0.00 0.00 2.81 0.00 0.00 57.97 60.59 1if6 h PHE 226 Cb 0.35 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.79 1if6 h PHE 226 CO 0.00 0.88 0.00 0.54 -1.61 0.00 0.00 178.31 178.12 1if6 n ARG 227 N -4.41 0.14 -0.14 1.51 1.74 -0.96 -2.18 116.66 112.37 1if6 n ARG 227 Ca -0.06 0.58 0.09 0.00 -0.77 0.00 0.00 57.85 57.69 1if6 n ARG 227 Cb 0.43 -1.92 0.27 0.00 -1.02 0.00 0.00 32.46 30.23 1if6 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1if6 n LYS 228 N -2.22 1.85 -2.08 5.56 5.02 -1.18 -4.25 118.16 120.86 1if6 n LYS 228 Ca -0.01 -1.29 -0.28 0.00 -2.02 0.00 0.00 58.31 54.71 1if6 n LYS 228 Cb 0.08 -1.36 0.06 0.00 -0.02 0.00 0.00 35.03 33.79 1if6 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1if6 s LEU 229 N -1.30 2.86 -0.02 -0.35 1.43 -0.93 -4.93 118.68 115.46 1if6 s LEU 229 Ca 0.30 0.80 0.07 0.00 -1.03 0.00 0.00 54.13 54.26 1if6 s LEU 229 Cb 0.16 -3.49 -0.02 0.00 0.03 0.00 0.00 46.19 42.87 1if6 s LEU 229 CO 0.22 -1.47 -0.23 0.20 0.23 0.00 0.00 176.35 175.30 1if6 s ASN 230 N -4.44 2.70 0.08 2.29 0.02 0.61 -0.64 114.94 115.57 1if6 s ASN 230 Ca 0.59 -0.42 -0.15 0.00 -1.02 0.00 0.00 52.86 51.85 1if6 s ASN 230 Cb -0.11 -0.30 -0.13 0.00 0.02 0.00 0.00 41.25 40.73 1if6 s ASN 230 CO 0.48 0.28 1.33 -0.26 0.02 0.00 0.00 177.10 178.95 1if6 h PHE 231 N 5.55 0.86 -4.13 2.20 0.04 -1.37 -3.33 116.94 116.75 1if6 h PHE 231 Ca -0.41 -0.32 -0.50 0.00 2.80 0.00 0.00 57.97 59.54 1if6 h PHE 231 Cb 1.13 -0.15 0.16 0.00 2.20 0.00 0.00 35.95 39.29 1if6 h PHE 231 CO 0.39 1.10 0.25 0.54 -0.60 0.00 0.00 178.31 180.00 1if6 s ASN 232 N -6.72 3.49 0.61 2.17 4.22 -1.26 -4.26 114.94 113.19 1if6 s ASN 232 Ca -0.12 1.77 0.03 0.00 -2.14 0.00 0.00 52.86 52.40 1if6 s ASN 232 Cb 0.08 -2.39 0.08 0.00 1.28 0.00 0.00 41.25 40.29 1if6 s ASN 232 CO 0.85 -2.67 0.84 -0.83 -2.04 0.00 0.00 177.10 173.25 1if6 s GLY 233 N -3.16 1.79 0.20 0.45 0.00 -1.26 -1.07 107.32 104.27 1if6 s GLY 233 Ca 0.64 -1.73 -0.32 0.00 0.00 0.00 0.00 44.72 43.31 1if6 s GLY 233 CO 0.57 -1.30 1.74 1.85 0.00 0.00 0.00 173.10 175.97 1if6 s GLU 234 N -4.85 4.12 0.00 2.90 2.12 -1.26 -2.40 118.70 119.34 1if6 s GLU 234 Ca 0.62 2.62 0.00 0.00 0.36 0.00 0.00 54.97 58.57 1if6 s GLU 234 Cb -0.07 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.20 1if6 s GLU 234 CO 0.40 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.76 1if6 n GLY 235 N 4.02 3.35 3.92 -1.50 0.00 -1.26 -5.05 105.19 108.66 1if6 n GLY 235 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1if6 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1if6 s GLU 236 N -0.70 2.39 0.60 1.61 2.02 -1.01 -5.02 118.70 118.60 1if6 s GLU 236 Ca 0.00 -0.06 -0.20 0.00 0.02 0.00 0.00 54.97 54.73 1if6 s GLU 236 Cb 0.00 -2.14 -0.03 0.00 0.10 0.00 0.00 34.13 32.06 1if6 s GLU 236 CO 0.00 -1.15 1.34 -2.14 0.02 0.00 0.00 175.26 173.32 1if6 s PRO 237 N -5.25 2.82 -0.29 0.39 0.02 -1.26 -4.88 135.00 126.55 1if6 s PRO 237 Ca 0.59 2.17 -0.24 0.00 0.02 0.00 0.00 61.00 63.54 1if6 s PRO 237 Cb -0.11 -2.05 -0.00 0.00 0.02 0.00 0.00 34.50 32.36 1if6 s PRO 237 CO 0.46 -1.42 0.82 -2.00 -0.33 0.00 0.00 177.00 174.53 1if6 s GLU 238 N -3.15 4.04 -0.19 5.54 2.12 -1.26 -4.71 118.70 121.09 1if6 s GLU 238 Ca 0.77 0.73 -0.01 0.00 0.36 0.00 0.00 54.97 56.82 1if6 s GLU 238 Cb -0.40 -3.70 0.00 0.00 0.26 0.00 0.00 34.13 30.30 1if6 s GLU 238 CO 0.44 -0.64 -0.12 -1.21 -0.54 0.00 0.00 175.26 173.19 1if6 s GLU 239 N 2.97 3.20 0.34 4.30 2.02 -1.26 -5.04 118.70 125.22 1if6 s GLU 239 Ca 0.34 -0.72 -0.28 0.00 0.02 0.00 0.00 54.97 54.33 1if6 s GLU 239 Cb -0.14 -2.78 -0.09 0.00 0.10 0.00 0.00 34.13 31.21 1if6 s GLU 239 CO 0.11 -0.17 1.20 -0.51 0.02 0.00 0.00 175.26 175.91 1if6 s LEU 240 N 1.31 4.39 -0.85 1.80 1.43 -1.26 -1.10 118.68 124.40 1if6 s LEU 240 Ca 0.04 2.45 -0.23 0.00 -1.03 0.00 0.00 54.13 55.36 1if6 s LEU 240 Cb -0.14 -3.76 0.07 0.00 0.03 0.00 0.00 46.19 42.39 1if6 s LEU 240 CO -0.07 -0.46 1.22 -0.32 0.23 0.00 0.00 176.35 176.95 1if6 s MET 241 N -1.85 3.39 0.05 1.70 -2.45 0.19 -4.61 119.30 115.72 1if6 s MET 241 Ca 0.50 -1.01 -0.07 0.00 -1.25 0.00 0.00 55.69 53.86 1if6 s MET 241 Cb -0.34 -4.73 -0.01 0.00 1.25 0.00 0.00 34.83 31.00 1if6 s MET 241 CO 0.45 -2.00 0.13 0.14 1.05 0.00 0.00 175.02 174.79 1if6 s VAL 242 N 4.38 0.14 -1.41 10.11 -7.23 -1.26 -4.45 120.40 120.69 1if6 s VAL 242 Ca 0.35 -1.16 -0.10 0.00 -1.81 0.00 0.00 61.98 59.26 1if6 s VAL 242 Cb -0.07 -1.10 0.03 0.00 0.56 0.00 0.00 36.38 35.80 1if6 s VAL 242 CO 0.00 -0.64 1.13 0.47 -0.31 0.00 0.00 175.10 175.75 1if6 n ASP 243 N 0.42 -5.84 -3.28 4.85 8.00 -0.06 -4.86 116.55 115.79 1if6 n ASP 243 Ca -0.17 -0.61 -0.38 0.00 0.71 0.00 0.00 54.79 54.34 1if6 n ASP 243 Cb 0.60 -4.71 -0.03 0.00 -0.02 0.00 0.00 41.12 36.97 1if6 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1if6 n ASN 244 N -2.97 8.19 -4.10 -2.24 6.94 -1.14 -4.90 115.26 115.05 1if6 n ASN 244 Ca 0.01 -2.84 -0.15 0.00 -0.02 0.00 0.00 54.58 51.58 1if6 n ASN 244 Cb 0.55 -1.45 -0.12 0.00 -2.36 0.00 0.00 39.78 36.40 1if6 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1if6 s TRP 245 N 0.52 0.88 -0.04 -2.53 1.48 -1.26 -4.57 118.94 113.41 1if6 s TRP 245 Ca 0.63 -0.44 -0.09 0.00 -1.06 0.00 0.00 56.10 55.13 1if6 s TRP 245 Cb 0.20 -0.51 -0.05 0.00 -1.16 0.00 0.00 33.47 31.95 1if6 s TRP 245 CO -0.08 -0.02 0.26 0.50 -4.06 0.00 0.00 176.95 173.55 1if6 s ARG 246 N -1.48 3.64 0.74 3.25 3.52 -1.26 -4.99 118.95 122.36 1if6 s ARG 246 Ca -0.06 0.07 -0.14 0.00 -0.13 0.00 0.00 55.73 55.47 1if6 s ARG 246 Cb -0.09 -3.17 0.04 0.00 -1.56 0.00 0.00 34.95 30.17 1if6 s ARG 246 CO 0.01 0.71 1.15 -2.14 -0.81 0.00 0.00 175.30 174.23 1if6 s PRO 247 N -1.25 2.21 0.37 5.12 0.02 -1.26 -4.74 135.00 135.47 1if6 s PRO 247 Ca 0.21 1.53 -0.28 0.00 0.02 0.00 0.00 61.00 62.49 1if6 s PRO 247 Cb -0.14 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.42 1if6 s PRO 247 CO 0.10 -1.74 1.37 0.00 -0.33 0.00 0.00 177.00 176.41 1if6 s ALA 248 N -2.32 3.46 0.17 -1.55 0.00 -1.26 -4.38 121.76 115.89 1if6 s ALA 248 Ca 0.69 1.38 0.05 0.00 0.00 0.00 0.00 51.96 54.07 1if6 s ALA 248 Cb -0.24 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 1if6 s ALA 248 CO 0.47 -0.85 0.20 -0.65 0.00 0.00 0.00 175.76 174.92 1if6 s GLN 249 N -2.02 3.08 0.27 0.00 -1.52 0.25 -4.94 119.66 114.77 1if6 s GLN 249 Ca 0.52 -0.81 -0.30 0.00 -1.95 0.00 0.00 55.36 52.83 1if6 s GLN 249 Cb -0.42 -2.74 -0.10 0.00 -0.22 0.00 0.00 33.01 29.53 1if6 s GLN 249 CO 0.56 0.48 1.45 -1.25 -0.25 0.00 0.00 175.29 176.28 1if6 s PRO 250 N -3.27 4.25 0.49 2.91 0.04 -1.26 -4.51 135.00 133.65 1if6 s PRO 250 Ca 0.32 2.35 0.18 0.00 0.04 0.00 0.00 61.00 63.89 1if6 s PRO 250 Cb -0.10 -3.09 1.23 0.00 0.04 0.00 0.00 34.50 32.58 1if6 s PRO 250 CO 0.25 -0.43 2.08 1.25 0.04 0.00 0.00 177.00 180.19 1if6 h LEU 251 N 4.74 0.00 0.00 -3.56 5.85 -1.94 -3.45 115.31 116.95 1if6 h LEU 251 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1if6 h LEU 251 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1if6 h LEU 251 CO 0.76 0.10 0.00 0.29 -0.34 0.00 0.00 178.44 179.25 1if6 n LYS 252 N -4.24 0.00 -3.01 1.25 4.76 -1.26 -3.08 118.16 112.58 1if6 n LYS 252 Ca -0.03 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.04 1if6 n LYS 252 Cb 0.18 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.36 1if6 n LYS 252 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1if6 n ASN 253 N 3.38 5.89 -4.33 4.39 4.13 -1.26 -4.99 115.26 122.47 1if6 n ASN 253 Ca 0.00 -3.51 -0.18 0.00 1.68 0.00 0.00 54.58 52.57 1if6 n ASN 253 Cb 0.00 -1.05 -0.10 0.00 -1.54 0.00 0.00 39.78 37.08 1if6 n ASN 253 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1if6 s ARG 254 N -3.13 1.29 -0.10 3.52 0.52 -1.18 -5.14 118.95 114.74 1if6 s ARG 254 Ca 0.36 -1.55 0.02 0.00 -0.52 0.00 0.00 55.73 54.04 1if6 s ARG 254 Cb 0.12 -1.10 0.01 0.00 0.52 0.00 0.00 34.95 34.51 1if6 s ARG 254 CO 0.01 0.18 -0.16 -1.14 0.02 0.00 0.00 175.30 174.22 1if6 s GLN 255 N -3.54 2.21 -0.14 3.54 0.74 -1.26 -5.06 119.66 116.15 1if6 s GLN 255 Ca 0.21 -0.57 -0.22 0.00 0.05 0.00 0.00 55.36 54.83 1if6 s GLN 255 Cb -0.01 -1.83 -0.03 0.00 1.10 0.00 0.00 33.01 32.24 1if6 s GLN 255 CO 0.06 -0.01 0.66 0.42 -0.55 0.00 0.00 175.29 175.88 1if6 s ILE 256 N 0.81 5.03 0.23 -2.34 1.01 -1.26 -4.66 121.20 120.02 1if6 s ILE 256 Ca -0.10 1.30 0.07 0.00 0.00 0.00 0.00 60.65 61.92 1if6 s ILE 256 Cb -0.16 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1if6 s ILE 256 CO 0.01 0.17 0.11 -0.54 0.00 0.00 0.00 174.94 174.69 1if6 s LYS 257 N 1.42 2.70 0.02 2.79 1.02 -0.28 -0.79 119.74 126.63 1if6 s LYS 257 Ca 0.32 -1.11 0.03 0.00 0.02 0.00 0.00 55.97 55.24 1if6 s LYS 257 Cb -0.16 -2.45 -0.02 0.00 -0.52 0.00 0.00 37.83 34.68 1if6 s LYS 257 CO 0.13 0.42 -0.10 0.00 -0.92 0.00 0.00 175.35 174.88 1if6 s ALA 258 N -2.04 0.79 -2.22 5.17 0.00 0.27 -0.66 121.76 123.07 1if6 s ALA 258 Ca 0.31 -0.61 0.21 0.00 0.00 0.00 0.00 51.96 51.87 1if6 s ALA 258 Cb -0.08 -0.11 0.85 0.00 0.00 0.00 0.00 23.12 23.77 1if6 s ALA 258 CO 0.22 0.13 1.60 -1.13 0.00 0.00 0.00 175.76 176.58 1if6 n SER 259 N 2.19 1.29 -3.93 0.00 3.41 -0.80 -0.98 113.62 114.80 1if6 n SER 259 Ca -0.17 -1.63 -0.09 0.00 -0.26 0.00 0.00 58.87 56.72 1if6 n SER 259 Cb 0.56 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.35 1if6 n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1if6 s PHE 260 N -1.85 0.31 0.00 7.33 -0.71 -1.26 -4.91 117.98 116.90 1if6 s PHE 260 Ca 0.32 -0.74 0.00 0.00 -1.04 0.00 0.00 56.93 55.47 1if6 s PHE 260 Cb 0.17 -0.13 0.00 0.00 -1.21 0.00 0.00 43.02 41.84 1if6 s PHE 260 CO 0.26 -0.57 0.00 0.36 -1.34 0.00 0.00 175.22 173.93