#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1if5 s HIS 4 N 0.00 2.84 0.74 4.41 5.04 -1.26 -4.97 115.29 122.10 1if5 s HIS 4 Ca 0.00 1.52 -0.13 0.00 -1.54 0.00 0.00 55.06 54.91 1if5 s HIS 4 Cb 0.00 -3.41 0.05 0.00 0.04 0.00 0.00 32.58 29.26 1if5 s HIS 4 CO 0.00 -1.59 1.15 1.67 -2.34 0.00 0.00 174.74 173.62 1if5 s TRP 5 N -1.52 2.26 0.00 3.88 1.48 -1.26 -4.98 118.94 118.80 1if5 s TRP 5 Ca 0.64 1.61 0.00 0.00 -1.06 0.00 0.00 56.10 57.29 1if5 s TRP 5 Cb -0.30 -3.28 0.00 0.00 -1.16 0.00 0.00 33.47 28.73 1if5 s TRP 5 CO 0.36 -2.20 0.00 0.41 -4.06 0.00 0.00 176.95 171.45 1if5 n GLY 6 N -0.21 3.30 0.00 3.67 0.00 -0.74 -5.06 105.19 106.16 1if5 n GLY 6 Ca 0.11 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1if5 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1if5 n TYR 7 N 0.00 0.00 -2.35 1.61 4.01 -1.26 -3.93 117.16 115.24 1if5 n TYR 7 Ca 0.00 -0.33 -0.26 0.00 -0.16 0.00 0.00 57.90 57.15 1if5 n TYR 7 Cb 0.00 -0.03 0.12 0.00 -0.31 0.00 0.00 39.34 39.12 1if5 n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1if5 s GLY 8 N -0.67 1.76 0.23 2.72 0.00 -1.26 -4.66 107.32 105.44 1if5 s GLY 8 Ca 0.00 -1.45 -0.13 0.00 0.00 0.00 0.00 44.72 43.14 1if5 s GLY 8 CO 0.00 -0.86 1.59 1.70 0.00 0.00 0.00 173.10 175.53 1if5 h LYS 9 N -0.84 -0.02 -0.01 2.90 1.63 -1.98 -0.25 116.57 118.01 1if5 h LYS 9 Ca -0.40 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1if5 h LYS 9 Cb 1.27 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1if5 h LYS 9 CO 0.43 -0.02 -0.20 0.72 -3.45 0.00 0.00 179.45 176.94 1if5 n HIS 10 N -5.51 0.00 -2.02 1.91 8.25 -1.26 -4.33 115.22 112.26 1if5 n HIS 10 Ca 0.10 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1if5 n HIS 10 Cb 0.40 -0.10 -0.00 0.00 1.12 0.00 0.00 29.99 31.41 1if5 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1if5 n ASN 11 N -0.47 0.02 -2.65 0.41 6.94 -1.02 -4.92 115.26 113.56 1if5 n ASN 11 Ca 0.14 -1.64 -0.09 0.00 -0.02 0.00 0.00 54.58 52.96 1if5 n ASN 11 Cb 0.35 -0.12 0.07 0.00 -2.36 0.00 0.00 39.78 37.72 1if5 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1if5 n GLY 12 N 0.02 -1.63 0.33 4.83 0.00 -0.13 -1.78 105.19 106.82 1if5 n GLY 12 Ca -0.00 -1.62 0.22 0.00 0.00 0.00 0.00 46.02 44.61 1if5 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1if5 h PRO 13 N 0.00 0.18 0.00 1.61 0.11 -1.86 0.11 132.00 132.15 1if5 h PRO 13 Ca -0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1if5 h PRO 13 Cb 0.37 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1if5 h PRO 13 CO 0.09 0.12 0.00 -0.85 -0.21 0.00 0.00 178.00 177.15 1if5 n GLU 14 N -5.19 0.15 -0.01 1.05 0.00 -1.26 -2.69 120.64 112.68 1if5 n GLU 14 Ca 0.29 0.48 0.09 0.00 0.00 0.00 0.00 57.16 58.03 1if5 n GLU 14 Cb 0.94 -1.84 -0.13 0.00 0.00 0.00 0.00 31.44 30.41 1if5 n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1if5 n HIS 15 N -2.13 0.00 -0.08 -1.84 8.25 0.36 -4.63 115.22 115.15 1if5 n HIS 15 Ca 0.01 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.66 1if5 n HIS 15 Cb 0.14 -0.34 0.62 0.00 1.12 0.00 0.00 29.99 31.53 1if5 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1if5 h TRP 16 N 0.00 0.19 -0.01 4.41 6.55 -1.43 -1.96 115.95 123.70 1if5 h TRP 16 Ca 0.00 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1if5 h TRP 16 Cb 0.76 -0.06 -0.00 0.00 -0.86 0.00 0.00 29.16 29.00 1if5 h TRP 16 CO 0.00 0.07 0.03 1.12 -1.05 0.00 0.00 178.44 178.61 1if5 h HIS 17 N 0.16 0.00 -0.62 0.49 2.07 -1.79 -0.33 115.15 115.14 1if5 h HIS 17 Ca 0.31 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.78 1if5 h HIS 17 Cb 1.00 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.96 1if5 h HIS 17 CO -0.00 0.00 0.17 0.87 -3.07 0.00 0.00 177.93 175.90 1if5 h LYS 18 N 0.00 0.98 0.00 5.12 1.57 -1.70 -3.21 116.57 119.33 1if5 h LYS 18 Ca 0.00 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 1if5 h LYS 18 Cb 0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1if5 h LYS 18 CO -0.00 0.88 -1.89 -0.25 -0.57 0.00 0.00 179.45 177.62 1if5 n ASP 19 N -4.35 0.76 -3.83 0.86 8.00 -1.01 -4.72 116.55 112.25 1if5 n ASP 19 Ca 0.04 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.26 1if5 n ASP 19 Cb 0.23 1.73 -0.12 0.00 -0.02 0.00 0.00 41.12 42.94 1if5 n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1if5 s PHE 20 N -3.18 3.17 0.56 1.24 0.08 -0.16 -4.97 117.98 114.72 1if5 s PHE 20 Ca -0.07 -3.17 0.31 0.00 0.12 0.00 0.00 56.93 54.13 1if5 s PHE 20 Cb 0.11 -2.46 1.45 0.00 -0.57 0.00 0.00 43.02 41.56 1if5 s PHE 20 CO 0.76 -0.60 1.83 -1.00 -0.10 0.00 0.00 175.22 176.10 1if5 h PRO 21 N 5.55 0.00 0.00 0.24 0.13 -1.80 -0.26 132.00 135.86 1if5 h PRO 21 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1if5 h PRO 21 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1if5 h PRO 21 CO 0.66 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.94 1if5 n ILE 22 N -3.95 1.24 0.32 -3.56 3.06 -1.26 -2.39 119.36 112.82 1if5 n ILE 22 Ca 0.17 0.63 0.17 0.00 -2.50 0.00 0.00 62.75 61.22 1if5 n ILE 22 Cb 0.96 -1.62 0.88 0.00 0.54 0.00 0.00 39.64 40.40 1if5 n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1if5 h ALA 23 N 2.03 1.34 -0.30 1.51 0.00 -1.36 0.59 119.26 123.07 1if5 h ALA 23 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1if5 h ALA 23 Cb 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1if5 h ALA 23 CO 0.00 -0.29 0.01 1.63 0.00 0.00 0.00 179.25 180.59 1if5 n LYS 24 N -2.99 2.94 -0.45 0.00 5.02 -1.01 -5.00 118.16 116.66 1if5 n LYS 24 Ca -0.02 -2.90 -0.17 0.00 -2.02 0.00 0.00 58.31 53.20 1if5 n LYS 24 Cb 0.34 -1.88 0.15 0.00 -0.02 0.00 0.00 35.03 33.62 1if5 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1if5 n GLY 25 N -0.51 -3.02 0.11 0.72 0.00 0.20 -5.00 105.19 97.68 1if5 n GLY 25 Ca 0.23 -1.41 0.02 0.00 0.00 0.00 0.00 46.02 44.87 1if5 n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1if5 h GLU 26 N 0.00 0.00 -2.22 1.61 4.39 -1.96 -3.40 114.58 113.01 1if5 h GLU 26 Ca -0.23 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.90 1if5 h GLU 26 Cb 0.74 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.97 1if5 h GLU 26 CO 0.15 0.27 -0.77 2.89 -1.16 0.00 0.00 179.01 180.39 1if5 n ARG 27 N -2.91 2.67 -3.37 2.33 1.85 -1.26 -4.70 116.66 111.27 1if5 n ARG 27 Ca -0.06 -4.50 -0.30 0.00 -1.00 0.00 0.00 57.85 51.99 1if5 n ARG 27 Cb 0.77 -2.11 -0.04 0.00 -1.05 0.00 0.00 32.46 30.03 1if5 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1if5 s GLN 28 N -3.16 3.67 0.24 2.89 -1.52 -1.26 -2.67 119.66 117.85 1if5 s GLN 28 Ca 0.46 0.07 0.08 0.00 -1.95 0.00 0.00 55.36 54.02 1if5 s GLN 28 Cb 0.29 -2.66 -0.05 0.00 -0.22 0.00 0.00 33.01 30.37 1if5 s GLN 28 CO -0.12 0.25 -0.13 -1.12 -0.25 0.00 0.00 175.29 173.93 1if5 s SER 29 N -2.92 2.75 0.69 5.90 0.01 -1.26 -4.68 113.70 114.20 1if5 s SER 29 Ca 0.45 -1.07 -0.04 0.00 1.31 0.00 0.00 55.95 56.60 1if5 s SER 29 Cb -0.11 -0.16 0.09 0.00 0.21 0.00 0.00 66.02 66.04 1if5 s SER 29 CO 0.27 -0.20 0.98 -2.16 0.41 0.00 0.00 173.24 172.55 1if5 s PRO 30 N -3.65 1.99 0.17 12.44 0.04 -1.26 -4.61 135.00 140.12 1if5 s PRO 30 Ca 0.25 -0.65 0.03 0.00 0.04 0.00 0.00 61.00 60.67 1if5 s PRO 30 Cb 0.00 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 1if5 s PRO 30 CO 0.09 -1.28 -0.03 0.14 0.04 0.00 0.00 177.00 175.97 1if5 s VAL 31 N -3.16 0.87 0.07 -0.36 -7.23 -1.26 0.49 120.40 109.82 1if5 s VAL 31 Ca 0.62 -2.01 -0.23 0.00 -1.81 0.00 0.00 61.98 58.56 1if5 s VAL 31 Cb -0.08 -2.06 -0.06 0.00 0.56 0.00 0.00 36.38 34.73 1if5 s VAL 31 CO 0.44 -0.54 0.71 -0.62 -0.31 0.00 0.00 175.10 174.77 1if5 s ASP 32 N -3.19 7.19 -0.47 4.85 2.15 -1.26 -3.07 116.67 122.87 1if5 s ASP 32 Ca 0.22 1.41 -0.14 0.00 0.43 0.00 0.00 52.55 54.47 1if5 s ASP 32 Cb 0.05 -2.44 0.08 0.00 -0.30 0.00 0.00 42.92 40.32 1if5 s ASP 32 CO 0.03 0.12 0.39 -0.63 -0.17 0.00 0.00 175.17 174.91 1if5 s ILE 33 N -0.50 5.03 -0.61 4.11 1.01 0.95 -4.91 121.20 126.28 1if5 s ILE 33 Ca 0.35 -1.21 -0.26 0.00 0.00 0.00 0.00 60.65 59.52 1if5 s ILE 33 Cb -0.21 -4.06 0.04 0.00 0.01 0.00 0.00 42.46 38.24 1if5 s ILE 33 CO 0.22 -0.62 1.13 -0.62 0.00 0.00 0.00 174.94 175.05 1if5 s ASP 34 N 2.69 6.34 0.27 3.58 -1.08 -1.26 -0.70 116.67 126.52 1if5 s ASP 34 Ca 0.04 -0.20 0.01 0.00 -0.52 0.00 0.00 52.55 51.88 1if5 s ASP 34 Cb -0.25 -2.51 0.61 0.00 -1.46 0.00 0.00 42.92 39.31 1if5 s ASP 34 CO 0.05 -1.48 1.72 0.71 0.52 0.00 0.00 175.17 176.69 1if5 h THR 35 N 6.08 0.57 0.00 1.71 1.35 -1.95 -2.26 112.91 118.41 1if5 h THR 35 Ca -0.26 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1if5 h THR 35 Cb 1.06 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1if5 h THR 35 CO 1.18 0.08 0.00 1.41 -0.25 0.00 0.00 175.52 177.94 1if5 n HIS 36 N -5.00 0.34 -0.01 4.73 8.25 -1.26 -3.51 115.22 118.76 1if5 n HIS 36 Ca 0.19 0.12 0.08 0.00 -0.26 0.00 0.00 57.72 57.85 1if5 n HIS 36 Cb 0.54 -0.69 -0.13 0.00 1.12 0.00 0.00 29.99 30.83 1if5 n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1if5 n THR 37 N -1.80 0.03 -2.09 1.59 -1.04 -0.88 -4.96 114.28 105.13 1if5 n THR 37 Ca 0.04 -0.40 -0.42 0.00 -2.04 0.00 0.00 64.05 61.24 1if5 n THR 37 Cb 0.27 0.09 -0.03 0.00 -1.82 0.00 0.00 70.33 68.85 1if5 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1if5 s ALA 38 N -3.16 3.63 -0.36 2.41 0.00 -1.07 -4.85 121.76 118.36 1if5 s ALA 38 Ca -0.06 1.22 -0.22 0.00 0.00 0.00 0.00 51.96 52.90 1if5 s ALA 38 Cb 0.11 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.68 1if5 s ALA 38 CO 0.71 -0.66 0.72 0.21 0.00 0.00 0.00 175.76 176.73 1if5 s LYS 39 N 0.55 3.72 0.08 0.00 2.20 -0.33 -4.76 119.74 121.19 1if5 s LYS 39 Ca 0.63 0.21 -0.31 0.00 -0.36 0.00 0.00 55.97 56.14 1if5 s LYS 39 Cb -0.39 -3.81 -0.09 0.00 -1.51 0.00 0.00 37.83 32.03 1if5 s LYS 39 CO 0.35 -0.80 1.79 -0.47 -0.36 0.00 0.00 175.35 175.86 1if5 s TYR 40 N 2.93 2.05 -0.27 4.03 5.04 -1.26 -1.35 117.35 128.52 1if5 s TYR 40 Ca 0.28 0.01 0.02 0.00 -2.44 0.00 0.00 57.07 54.95 1if5 s TYR 40 Cb -0.14 -4.11 0.07 0.00 0.35 0.00 0.00 41.96 38.14 1if5 s TYR 40 CO 0.16 -4.62 -0.05 0.34 -1.34 0.00 0.00 175.55 170.04 1if5 s ASP 41 N 3.01 4.25 0.00 4.32 -1.08 -0.31 -4.88 116.67 121.98 1if5 s ASP 41 Ca 0.80 -1.47 0.26 0.00 -0.52 0.00 0.00 52.55 51.62 1if5 s ASP 41 Cb -0.42 -1.38 1.42 0.00 -1.46 0.00 0.00 42.92 41.08 1if5 s ASP 41 CO 0.36 -0.26 1.91 -0.81 0.52 0.00 0.00 175.17 176.88 1if5 n PRO 42 N 4.51 0.55 0.11 4.34 -0.04 -1.26 -2.78 135.00 140.44 1if5 n PRO 42 Ca -0.09 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.52 1if5 n PRO 42 Cb 0.43 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.62 1if5 n PRO 42 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1if5 h SER 43 N 0.00 0.00 -3.31 3.54 4.64 -1.96 -3.45 113.55 113.01 1if5 h SER 43 Ca 0.00 -0.07 -0.53 0.00 -0.47 0.00 0.00 61.79 60.72 1if5 h SER 43 Cb 0.15 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.31 1if5 h SER 43 CO 0.00 0.04 0.84 -0.76 -0.87 0.00 0.00 176.83 176.07 1if5 s LEU 44 N -4.86 4.36 0.49 5.97 1.43 -1.12 -5.00 118.68 119.96 1if5 s LEU 44 Ca 0.07 2.81 -0.02 0.00 -1.03 0.00 0.00 54.13 55.96 1if5 s LEU 44 Cb 0.11 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.70 1if5 s LEU 44 CO 0.68 -0.82 0.75 -0.54 0.23 0.00 0.00 176.35 176.65 1if5 s LYS 45 N -0.33 3.09 0.39 1.70 1.02 -1.22 -4.99 119.74 119.41 1if5 s LYS 45 Ca 0.62 -0.25 -0.25 0.00 0.02 0.00 0.00 55.97 56.12 1if5 s LYS 45 Cb -0.45 -2.45 -0.09 0.00 -0.52 0.00 0.00 37.83 34.32 1if5 s LYS 45 CO 0.45 -0.38 1.09 -1.25 -0.92 0.00 0.00 175.35 174.34 1if5 s PRO 46 N -4.70 4.14 0.63 -1.68 0.04 -1.26 -2.70 135.00 129.47 1if5 s PRO 46 Ca 0.50 1.63 -0.18 0.00 0.04 0.00 0.00 61.00 62.99 1if5 s PRO 46 Cb -0.10 -2.61 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 1if5 s PRO 46 CO 0.41 -0.19 1.25 -0.51 0.04 0.00 0.00 177.00 178.00 1if5 s LEU 47 N -2.54 3.59 -0.38 -3.56 1.43 -1.26 -2.30 118.68 113.65 1if5 s LEU 47 Ca 0.57 2.50 0.02 0.00 -1.03 0.00 0.00 54.13 56.19 1if5 s LEU 47 Cb -0.25 -4.61 0.11 0.00 0.03 0.00 0.00 46.19 41.47 1if5 s LEU 47 CO 0.32 -1.86 0.14 -0.55 0.23 0.00 0.00 176.35 174.63 1if5 s SER 48 N -1.53 4.20 -0.37 2.29 0.15 0.41 -4.85 113.70 113.99 1if5 s SER 48 Ca 0.80 -2.23 -0.16 0.00 0.70 0.00 0.00 55.95 55.05 1if5 s SER 48 Cb -0.34 -1.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.72 1if5 s SER 48 CO 0.37 -0.34 0.41 -0.69 1.20 0.00 0.00 173.24 174.20 1if5 s VAL 49 N 0.82 5.11 -0.75 4.45 1.01 -1.26 -2.02 120.40 127.75 1if5 s VAL 49 Ca 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1if5 s VAL 49 Cb -0.21 -3.93 0.18 0.00 0.00 0.00 0.00 36.38 32.43 1if5 s VAL 49 CO -0.10 -0.24 0.58 -0.44 0.00 0.00 0.00 175.10 174.90 1if5 s SER 50 N 1.77 5.26 -0.15 3.32 0.01 -0.48 -4.89 113.70 118.54 1if5 s SER 50 Ca 0.13 -3.66 0.16 0.00 1.31 0.00 0.00 55.95 53.89 1if5 s SER 50 Cb -0.17 -1.76 0.65 0.00 0.21 0.00 0.00 66.02 64.95 1if5 s SER 50 CO 0.13 -0.16 1.56 -1.22 0.41 0.00 0.00 173.24 173.96 1if5 n TYR 51 N 2.32 1.37 0.13 2.43 4.01 -1.26 -1.38 117.16 124.77 1if5 n TYR 51 Ca 0.18 -0.71 -0.00 0.00 -0.16 0.00 0.00 57.90 57.21 1if5 n TYR 51 Cb 0.36 -0.31 0.28 0.00 -0.31 0.00 0.00 39.34 39.35 1if5 n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1if5 h ASP 52 N 3.15 0.16 -0.61 7.72 2.03 -1.90 -3.09 116.42 123.88 1if5 h ASP 52 Ca 0.00 -0.06 -0.12 0.00 -0.73 0.00 0.00 57.03 56.12 1if5 h ASP 52 Cb 1.51 -0.04 -0.07 0.00 -0.83 0.00 0.00 39.33 39.90 1if5 h ASP 52 CO 0.27 0.53 0.14 0.00 -1.03 0.00 0.00 179.24 179.15 1if5 n GLN 53 N -4.06 3.87 -2.11 4.15 1.13 -1.21 -5.01 117.38 114.15 1if5 n GLN 53 Ca -0.01 -3.09 -0.41 0.00 -1.94 0.00 0.00 57.00 51.54 1if5 n GLN 53 Cb 0.44 -2.16 -0.03 0.00 0.11 0.00 0.00 30.24 28.60 1if5 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1if5 s ALA 54 N -2.93 3.59 -0.30 -1.58 0.00 -1.17 -4.51 121.76 114.87 1if5 s ALA 54 Ca 0.53 1.22 0.03 0.00 0.00 0.00 0.00 51.96 53.74 1if5 s ALA 54 Cb 0.42 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 20.10 1if5 s ALA 54 CO 0.13 -0.65 -0.00 0.99 0.00 0.00 0.00 175.76 176.23 1if5 s THR 55 N 0.19 1.95 0.32 0.00 2.01 -1.26 -4.87 115.64 113.97 1if5 s THR 55 Ca 0.59 -1.86 -0.27 0.00 0.31 0.00 0.00 61.69 60.47 1if5 s THR 55 Cb -0.39 -2.31 -0.10 0.00 0.01 0.00 0.00 72.50 69.71 1if5 s THR 55 CO 0.39 -0.38 0.96 -0.94 -0.69 0.00 0.00 174.62 173.96 1if5 s SER 56 N 1.12 7.34 -0.07 3.53 1.04 -1.26 -0.97 113.70 124.43 1if5 s SER 56 Ca 0.03 1.88 -0.08 0.00 0.48 0.00 0.00 55.95 58.26 1if5 s SER 56 Cb -0.19 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.31 1if5 s SER 56 CO -0.09 -0.07 -0.17 0.18 0.98 0.00 0.00 173.24 174.08 1if5 n LEU 57 N 0.65 1.30 -3.98 2.42 4.77 -0.12 -4.12 117.00 117.92 1if5 n LEU 57 Ca 0.02 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.07 1if5 n LEU 57 Cb 0.49 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1if5 n LEU 57 CO 0.45 -0.25 0.30 0.00 -1.33 0.00 0.00 177.39 176.56 1if5 s ARG 58 N -2.36 2.10 0.02 3.23 1.70 -1.23 -1.20 118.95 121.21 1if5 s ARG 58 Ca -0.15 -1.70 0.02 0.00 -0.47 0.00 0.00 55.73 53.43 1if5 s ARG 58 Cb 0.04 0.52 -0.01 0.00 -0.57 0.00 0.00 34.95 34.92 1if5 s ARG 58 CO 0.21 -0.92 -0.07 -1.50 -1.08 0.00 0.00 175.30 171.94 1if5 s ILE 59 N -2.61 0.49 -0.10 4.99 2.07 -0.44 -0.70 121.20 124.89 1if5 s ILE 59 Ca 0.25 -0.63 -0.23 0.00 -1.41 0.00 0.00 60.65 58.64 1if5 s ILE 59 Cb -0.02 -0.48 0.05 0.00 0.13 0.00 0.00 42.46 42.14 1if5 s ILE 59 CO 0.18 -0.11 0.55 -1.48 -1.91 0.00 0.00 174.94 172.17 1if5 s LEU 60 N -0.80 -0.11 -0.25 8.50 2.34 -0.90 -0.63 118.68 126.84 1if5 s LEU 60 Ca -0.03 0.72 -0.19 0.00 0.06 0.00 0.00 54.13 54.69 1if5 s LEU 60 Cb -0.06 2.02 -0.03 0.00 -0.56 0.00 0.00 46.19 47.56 1if5 s LEU 60 CO 0.00 -0.42 0.54 0.21 -1.06 0.00 0.00 176.35 175.62 1if5 s ASN 61 N -0.69 6.49 -0.03 1.48 3.84 -0.17 -1.72 114.94 124.15 1if5 s ASN 61 Ca -0.08 0.60 0.14 0.00 0.21 0.00 0.00 52.86 53.73 1if5 s ASN 61 Cb -0.03 -2.30 0.41 0.00 -0.55 0.00 0.00 41.25 38.79 1if5 s ASN 61 CO 0.05 -0.29 1.34 -0.46 -2.79 0.00 0.00 177.10 174.96 1if5 n ASN 62 N 5.43 3.33 0.00 -4.21 0.23 -0.98 -0.89 115.26 118.17 1if5 n ASN 62 Ca -0.03 -2.16 0.00 0.00 -0.53 0.00 0.00 54.58 51.86 1if5 n ASN 62 Cb 0.50 -0.33 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 1if5 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1if5 n GLY 63 N 0.59 1.83 0.01 4.83 0.00 -1.26 -4.76 105.19 106.43 1if5 n GLY 63 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1if5 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1if5 n HIS 64 N -2.00 0.00 -3.59 1.61 8.25 -1.26 -4.77 115.22 113.46 1if5 n HIS 64 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1if5 n HIS 64 Cb 0.00 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1if5 n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1if5 n ALA 65 N -2.23 -0.01 -2.44 -1.41 0.00 -1.26 -4.88 120.51 108.29 1if5 n ALA 65 Ca -0.05 -0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.07 1if5 n ALA 65 Cb 0.58 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.89 1if5 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1if5 s PHE 66 N -4.84 2.56 -0.09 0.00 -0.71 -1.26 -2.32 117.98 111.32 1if5 s PHE 66 Ca 0.00 -0.29 0.04 0.00 -1.04 0.00 0.00 56.93 55.65 1if5 s PHE 66 Cb -0.00 -1.58 -0.00 0.00 -1.21 0.00 0.00 43.02 40.22 1if5 s PHE 66 CO 0.00 0.08 -0.23 -0.80 -1.34 0.00 0.00 175.22 172.93 1if5 s ASN 67 N -0.65 2.98 -0.31 1.98 0.02 -0.70 -4.22 114.94 114.05 1if5 s ASN 67 Ca 0.10 -0.53 -0.14 0.00 -1.02 0.00 0.00 52.86 51.27 1if5 s ASN 67 Cb -0.11 -1.21 -0.03 0.00 0.02 0.00 0.00 41.25 39.93 1if5 s ASN 67 CO 0.00 0.17 0.32 -0.69 0.02 0.00 0.00 177.10 176.92 1if5 s VAL 68 N 0.22 5.21 0.18 1.60 1.01 -0.59 -2.12 120.40 125.91 1if5 s VAL 68 Ca -0.14 0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 1if5 s VAL 68 Cb -0.17 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 1if5 s VAL 68 CO 0.07 0.04 0.43 -1.61 0.00 0.00 0.00 175.10 174.04 1if5 s GLU 69 N 1.95 3.66 0.13 2.72 2.02 0.12 -1.88 118.70 127.42 1if5 s GLU 69 Ca 0.11 -0.01 0.07 0.00 0.02 0.00 0.00 54.97 55.17 1if5 s GLU 69 Cb -0.16 -2.78 -0.04 0.00 0.10 0.00 0.00 34.13 31.25 1if5 s GLU 69 CO 0.11 0.41 -0.17 -0.06 0.02 0.00 0.00 175.26 175.57 1if5 s PHE 70 N -1.74 1.62 -0.43 1.61 0.40 -0.63 -0.94 117.98 117.86 1if5 s PHE 70 Ca 0.43 -0.49 -0.28 0.00 -0.60 0.00 0.00 56.93 55.98 1if5 s PHE 70 Cb -0.12 -0.84 -0.00 0.00 0.51 0.00 0.00 43.02 42.57 1if5 s PHE 70 CO 0.24 0.22 1.58 0.34 0.70 0.00 0.00 175.22 178.31 1if5 s ASP 71 N -2.39 6.05 -0.48 1.36 2.15 -0.14 -4.80 116.67 118.42 1if5 s ASP 71 Ca 0.10 0.83 0.03 0.00 0.43 0.00 0.00 52.55 53.94 1if5 s ASP 71 Cb -0.06 -2.54 0.45 0.00 -0.30 0.00 0.00 42.92 40.47 1if5 s ASP 71 CO 0.05 -1.67 1.58 -0.90 -0.17 0.00 0.00 175.17 174.06 1if5 n ASP 72 N 9.83 6.21 0.05 -0.34 5.75 -1.26 -4.60 116.55 132.19 1if5 n ASP 72 Ca 0.18 -3.77 0.12 0.00 -0.01 0.00 0.00 54.79 51.31 1if5 n ASP 72 Cb 0.48 -0.64 0.16 0.00 -1.03 0.00 0.00 41.12 40.09 1if5 n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1if5 n SER 73 N -0.79 0.66 -4.02 -1.12 3.41 -1.26 -4.93 113.62 105.58 1if5 n SER 73 Ca 0.52 0.05 -0.09 0.00 -0.26 0.00 0.00 58.87 59.09 1if5 n SER 73 Cb 0.81 0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 64.92 1if5 n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1if5 s GLN 74 N -3.15 1.03 -1.10 4.33 -0.21 -1.26 -5.07 119.66 114.22 1if5 s GLN 74 Ca 0.06 -1.25 -0.15 0.00 0.02 0.00 0.00 55.36 54.05 1if5 s GLN 74 Cb 0.14 0.32 -0.07 0.00 1.00 0.00 0.00 33.01 34.40 1if5 s GLN 74 CO 0.73 -0.34 2.17 -0.25 -2.12 0.00 0.00 175.29 175.48 1if5 n ASP 75 N -0.15 4.13 -0.06 5.90 8.00 -1.26 -4.58 116.55 128.52 1if5 n ASP 75 Ca -0.08 -2.64 -0.19 0.00 0.71 0.00 0.00 54.79 52.59 1if5 n ASP 75 Cb 0.63 -1.32 -0.13 0.00 -0.02 0.00 0.00 41.12 40.28 1if5 n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1if5 h LYS 76 N 6.69 0.07 -4.26 -1.24 1.57 -1.88 -3.44 116.57 114.07 1if5 h LYS 76 Ca 0.53 -0.13 -0.60 0.00 -1.87 0.00 0.00 60.65 58.59 1if5 h LYS 76 Cb 0.51 0.05 -0.38 0.00 0.08 0.00 0.00 32.23 32.49 1if5 h LYS 76 CO 1.82 1.06 -0.79 0.00 -0.57 0.00 0.00 179.45 180.98 1if5 s ALA 77 N -2.35 1.81 0.32 3.86 0.00 -1.26 -3.32 121.76 120.82 1if5 s ALA 77 Ca -0.23 -1.22 0.07 0.00 0.00 0.00 0.00 51.96 50.58 1if5 s ALA 77 Cb 0.03 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.72 1if5 s ALA 77 CO 0.68 -1.12 -0.03 0.14 0.00 0.00 0.00 175.76 175.42 1if5 s VAL 78 N 1.47 1.70 -0.04 0.00 -7.23 -0.48 -2.08 120.40 113.73 1if5 s VAL 78 Ca -0.04 -2.10 0.02 0.00 -1.81 0.00 0.00 61.98 58.05 1if5 s VAL 78 Cb -0.18 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.15 1if5 s VAL 78 CO -0.07 -0.19 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.24 1if5 s LEU 79 N -3.51 1.51 0.36 1.32 2.96 -0.43 -1.38 118.68 119.50 1if5 s LEU 79 Ca 0.32 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 54.00 1if5 s LEU 79 Cb 0.05 -0.55 0.01 0.00 0.50 0.00 0.00 46.19 46.21 1if5 s LEU 79 CO 0.14 -0.01 0.55 -1.59 -1.32 0.00 0.00 176.35 174.12 1if5 s LYS 80 N 0.69 2.00 2.29 1.98 0.00 -0.86 -2.59 119.74 123.25 1if5 s LYS 80 Ca -0.11 -1.71 0.00 0.00 0.00 0.00 0.00 55.97 54.16 1if5 s LYS 80 Cb -0.14 0.48 0.00 0.00 0.00 0.00 0.00 37.83 38.18 1if5 s LYS 80 CO 0.01 -0.86 0.00 0.41 0.00 0.00 0.00 175.35 174.92 1if5 n GLY 81 N -0.57 -0.97 7.00 0.59 0.00 -1.26 -0.45 105.19 109.54 1if5 n GLY 81 Ca -0.01 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1if5 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1if5 n GLY 82 N 0.00 3.09 0.52 -0.02 0.00 -0.97 -0.90 105.19 106.91 1if5 n GLY 82 Ca 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.09 1if5 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1if5 n PRO 83 N 14.00 1.72 -2.18 1.61 -0.04 -1.26 -3.38 135.00 145.47 1if5 n PRO 83 Ca 0.00 -1.05 -0.32 0.00 -0.04 0.00 0.00 63.50 62.09 1if5 n PRO 83 Cb 0.00 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 31.99 1if5 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1if5 s LEU 84 N -1.91 3.50 -0.27 1.53 1.43 -0.08 -5.07 118.68 117.82 1if5 s LEU 84 Ca 0.36 1.61 0.01 0.00 -1.03 0.00 0.00 54.13 55.08 1if5 s LEU 84 Cb 0.20 -4.51 0.08 0.00 0.03 0.00 0.00 46.19 41.99 1if5 s LEU 84 CO 0.32 -0.82 0.01 -1.81 0.23 0.00 0.00 176.35 174.28 1if5 s ASP 85 N -3.22 3.96 0.00 2.29 1.01 -1.26 -4.51 116.67 114.94 1if5 s ASP 85 Ca 0.59 -1.43 0.00 0.00 0.71 0.00 0.00 52.55 52.43 1if5 s ASP 85 Cb -0.12 -1.12 0.00 0.00 1.01 0.00 0.00 42.92 42.70 1if5 s ASP 85 CO 0.38 -0.31 0.00 0.61 0.21 0.00 0.00 175.17 176.05 1if5 n GLY 86 N 4.68 -2.08 3.61 0.21 0.00 -1.26 -4.98 105.19 105.37 1if5 n GLY 86 Ca -0.06 -2.08 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 1if5 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1if5 s THR 87 N -0.18 4.32 -0.16 2.61 2.01 -1.26 -4.70 115.64 118.28 1if5 s THR 87 Ca 0.00 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.80 1if5 s THR 87 Cb 0.00 -2.88 0.01 0.00 0.01 0.00 0.00 72.50 69.64 1if5 s THR 87 CO 0.00 0.53 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.95 1if5 s TYR 88 N -0.10 2.73 0.00 4.92 1.51 -1.07 -0.75 117.35 124.59 1if5 s TYR 88 Ca 0.04 -1.38 -0.20 0.00 -1.01 0.00 0.00 57.07 54.52 1if5 s TYR 88 Cb -0.13 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.80 1if5 s TYR 88 CO 0.02 -0.65 0.60 1.03 -1.11 0.00 0.00 175.55 175.43 1if5 s ARG 89 N 0.98 4.31 0.08 -0.62 0.52 -0.49 -1.31 118.95 122.42 1if5 s ARG 89 Ca -0.03 0.74 -0.31 0.00 -0.52 0.00 0.00 55.73 55.62 1if5 s ARG 89 Cb -0.15 -3.34 -0.06 0.00 0.52 0.00 0.00 34.95 31.93 1if5 s ARG 89 CO -0.05 0.38 1.21 -1.17 0.02 0.00 0.00 175.30 175.69 1if5 s LEU 90 N -0.24 4.38 -0.03 2.53 2.96 -0.88 -1.35 118.68 126.05 1if5 s LEU 90 Ca 0.31 2.06 0.02 0.00 -0.22 0.00 0.00 54.13 56.30 1if5 s LEU 90 Cb -0.18 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.90 1if5 s LEU 90 CO 0.17 -0.46 -0.00 0.00 -1.32 0.00 0.00 176.35 174.74 1if5 n ILE 91 N 3.71 0.18 -3.54 6.68 3.06 -0.31 -4.57 119.36 124.57 1if5 n ILE 91 Ca 0.08 -0.10 -0.07 0.00 -2.50 0.00 0.00 62.75 60.17 1if5 n ILE 91 Cb 0.46 -0.84 -0.02 0.00 0.54 0.00 0.00 39.64 39.78 1if5 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1if5 s GLN 92 N -2.06 0.62 0.08 9.51 1.03 -1.23 -1.60 119.66 126.00 1if5 s GLN 92 Ca -0.02 -0.23 0.04 0.00 0.04 0.00 0.00 55.36 55.19 1if5 s GLN 92 Cb 0.01 0.28 -0.03 0.00 0.03 0.00 0.00 33.01 33.30 1if5 s GLN 92 CO 0.10 -0.27 -0.12 -0.59 -2.54 0.00 0.00 175.29 171.87 1if5 s PHE 93 N -2.84 1.10 0.22 9.60 -0.12 -0.79 -1.19 117.98 123.97 1if5 s PHE 93 Ca 0.07 -0.52 -0.14 0.00 -0.05 0.00 0.00 56.93 56.29 1if5 s PHE 93 Cb -0.01 -0.61 0.01 0.00 -0.63 0.00 0.00 43.02 41.77 1if5 s PHE 93 CO -0.07 0.03 0.47 -3.38 -0.05 0.00 0.00 175.22 172.22 1if5 s HIS 94 N -1.64 0.20 0.31 3.49 -3.43 -0.89 -1.54 115.29 111.78 1if5 s HIS 94 Ca -0.01 -0.56 0.09 0.00 -0.80 0.00 0.00 55.06 53.78 1if5 s HIS 94 Cb -0.08 0.24 -0.06 0.00 -1.43 0.00 0.00 32.58 31.25 1if5 s HIS 94 CO 0.01 -0.94 -0.10 -0.06 -2.00 0.00 0.00 174.74 171.66 1if5 s PHE 95 N -3.96 2.21 -0.03 0.38 0.40 -1.26 -1.01 117.98 114.70 1if5 s PHE 95 Ca 0.17 -0.55 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 1if5 s PHE 95 Cb -0.00 -1.22 0.01 0.00 0.51 0.00 0.00 43.02 42.32 1if5 s PHE 95 CO 0.04 0.49 -0.08 -1.01 0.70 0.00 0.00 175.22 175.36 1if5 s HIS 96 N -2.74 0.91 0.22 0.36 3.76 -0.71 -4.75 115.29 112.34 1if5 s HIS 96 Ca 0.31 -0.24 -0.11 0.00 -0.15 0.00 0.00 55.06 54.86 1if5 s HIS 96 Cb 0.02 -0.67 -0.01 0.00 1.11 0.00 0.00 32.58 33.03 1if5 s HIS 96 CO 0.14 -0.12 0.41 1.67 -0.85 0.00 0.00 174.74 176.00 1if5 s TRP 97 N 0.34 0.39 0.54 1.40 -2.14 -1.24 -1.08 118.94 117.16 1if5 s TRP 97 Ca -0.05 -0.74 0.02 0.00 2.66 0.00 0.00 56.10 57.99 1if5 s TRP 97 Cb -0.10 0.10 0.02 0.00 -3.10 0.00 0.00 33.47 30.39 1if5 s TRP 97 CO 0.01 -0.90 0.16 0.20 -2.66 0.00 0.00 176.95 173.76 1if5 s GLY 98 N -3.01 2.84 0.00 3.67 0.00 -1.21 -0.99 107.32 108.63 1if5 s GLY 98 Ca 0.22 -0.46 0.27 0.00 0.00 0.00 0.00 44.72 44.75 1if5 s GLY 98 CO 0.06 -2.12 1.67 -1.14 0.00 0.00 0.00 173.10 171.57 1if5 n SER 99 N -1.51 0.75 -3.86 1.64 3.41 -1.26 -4.45 113.62 108.34 1if5 n SER 99 Ca -0.14 -0.67 -0.10 0.00 -0.26 0.00 0.00 58.87 57.70 1if5 n SER 99 Cb 0.66 0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 64.58 1if5 n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1if5 s LEU 100 N -2.56 1.42 0.53 1.04 1.43 -1.26 -5.06 118.68 114.23 1if5 s LEU 100 Ca 0.24 -0.43 0.23 0.00 -1.03 0.00 0.00 54.13 53.14 1if5 s LEU 100 Cb 0.19 0.93 1.38 0.00 0.03 0.00 0.00 46.19 48.73 1if5 s LEU 100 CO 0.52 -0.58 2.06 0.44 0.23 0.00 0.00 176.35 179.02 1if5 h ASP 101 N 3.37 0.00 -0.58 2.29 3.32 -1.93 -2.98 116.42 119.92 1if5 h ASP 101 Ca -0.32 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.43 1if5 h ASP 101 Cb 1.19 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.56 1if5 h ASP 101 CO 0.50 0.00 0.38 0.61 -1.72 0.00 0.00 179.24 179.00 1if5 n GLY 102 N -1.58 3.44 3.61 2.75 0.00 -1.26 -3.38 105.19 108.76 1if5 n GLY 102 Ca 0.05 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 1if5 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1if5 s GLN 103 N -1.92 0.43 0.00 1.61 -2.07 -1.13 -4.78 119.66 111.80 1if5 s GLN 103 Ca 0.33 0.24 0.00 0.00 -1.82 0.00 0.00 55.36 54.11 1if5 s GLN 103 Cb 0.28 0.21 0.00 0.00 -1.09 0.00 0.00 33.01 32.40 1if5 s GLN 103 CO 0.06 -0.11 0.00 0.41 -1.32 0.00 0.00 175.29 174.34 1if5 n GLY 104 N 1.21 2.30 3.78 2.60 0.00 -1.01 -3.30 105.19 110.78 1if5 n GLY 104 Ca -0.09 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 1if5 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1if5 s SER 105 N 0.00 5.10 -0.20 1.61 1.04 -1.01 -3.60 113.70 116.65 1if5 s SER 105 Ca 0.00 1.85 -0.18 0.00 0.48 0.00 0.00 55.95 58.10 1if5 s SER 105 Cb 0.00 -2.53 -0.14 0.00 0.10 0.00 0.00 66.02 63.45 1if5 s SER 105 CO 0.00 -1.63 0.05 -0.62 0.98 0.00 0.00 173.24 172.02 1if5 n GLU 106 N -2.79 0.54 -2.81 4.02 1.02 -1.26 -4.88 120.64 114.47 1if5 n GLU 106 Ca 0.09 0.53 -0.38 0.00 -0.02 0.00 0.00 57.16 57.38 1if5 n GLU 106 Cb 0.53 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 30.18 1if5 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1if5 s HIS 107 N -2.36 3.80 0.34 -0.32 3.76 -1.26 -4.49 115.29 114.76 1if5 s HIS 107 Ca -0.26 1.78 0.09 0.00 -0.15 0.00 0.00 55.06 56.53 1if5 s HIS 107 Cb 0.06 -2.90 -0.06 0.00 1.11 0.00 0.00 32.58 30.79 1if5 s HIS 107 CO 0.48 0.33 -0.04 0.95 -0.85 0.00 0.00 174.74 175.61 1if5 s THR 108 N -1.43 2.48 -0.16 1.30 -4.23 -1.17 -4.78 115.64 107.65 1if5 s THR 108 Ca 0.45 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.88 1if5 s THR 108 Cb -0.21 -2.72 0.04 0.00 1.34 0.00 0.00 72.50 70.95 1if5 s THR 108 CO 0.26 -0.21 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.40 1if5 s VAL 109 N -2.55 1.01 -1.51 2.29 1.01 -0.95 -0.03 120.40 119.67 1if5 s VAL 109 Ca 0.34 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 1if5 s VAL 109 Cb 0.01 -1.20 0.08 0.00 0.00 0.00 0.00 36.38 35.27 1if5 s VAL 109 CO 0.18 0.14 0.98 0.47 0.00 0.00 0.00 175.10 176.87 1if5 n ASP 110 N 4.91 -4.73 0.00 3.32 8.00 0.13 -0.73 116.55 127.45 1if5 n ASP 110 Ca -0.11 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1if5 n ASP 110 Cb 0.48 -3.96 0.00 0.00 -0.02 0.00 0.00 41.12 37.62 1if5 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1if5 n LYS 111 N -4.69 0.00 -2.53 -1.24 4.76 -1.26 -5.00 118.16 108.21 1if5 n LYS 111 Ca 0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 1if5 n LYS 111 Cb 0.53 -3.14 -0.03 0.00 -1.84 0.00 0.00 35.03 30.56 1if5 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1if5 s LYS 112 N -0.32 4.44 -0.17 1.97 2.20 0.09 -5.02 119.74 122.93 1if5 s LYS 112 Ca 0.00 1.63 -0.07 0.00 -0.36 0.00 0.00 55.97 57.17 1if5 s LYS 112 Cb 0.00 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 1if5 s LYS 112 CO 0.00 -0.25 0.05 0.15 -0.36 0.00 0.00 175.35 174.94 1if5 s LYS 113 N 1.40 3.88 0.68 4.03 1.02 -1.26 -2.24 119.74 127.24 1if5 s LYS 113 Ca 0.55 -0.35 -0.01 0.00 0.02 0.00 0.00 55.97 56.18 1if5 s LYS 113 Cb -0.25 -3.16 0.10 0.00 -0.52 0.00 0.00 37.83 33.99 1if5 s LYS 113 CO 0.26 0.32 0.94 0.71 -0.92 0.00 0.00 175.35 176.66 1if5 s TYR 114 N 0.24 2.06 0.11 3.18 2.02 -1.26 -4.46 117.35 119.24 1if5 s TYR 114 Ca 0.03 -0.12 0.22 0.00 -0.37 0.00 0.00 57.07 56.83 1if5 s TYR 114 Cb -0.12 -2.97 0.80 0.00 -0.40 0.00 0.00 41.96 39.26 1if5 s TYR 114 CO 0.01 -1.47 1.77 0.00 -1.57 0.00 0.00 175.55 174.29 1if5 h ALA 115 N -0.40 0.99 -2.50 3.71 0.00 -1.47 -2.59 119.26 117.01 1if5 h ALA 115 Ca -0.39 -0.25 0.19 0.00 0.00 0.00 0.00 54.91 54.47 1if5 h ALA 115 Cb 1.28 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1if5 h ALA 115 CO 0.45 0.34 0.65 0.00 0.00 0.00 0.00 179.25 180.69 1if5 n ALA 116 N -2.24 -2.86 -3.68 0.00 0.00 -1.20 -3.30 120.51 107.24 1if5 n ALA 116 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 53.44 52.35 1if5 n ALA 116 Cb 0.47 0.51 -0.09 0.00 0.00 0.00 0.00 19.45 20.33 1if5 n ALA 116 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1if5 s GLU 117 N -2.05 0.46 -0.11 0.00 2.12 -0.24 -1.95 118.70 116.94 1if5 s GLU 117 Ca 0.24 0.95 -0.15 0.00 0.36 0.00 0.00 54.97 56.37 1if5 s GLU 117 Cb -0.03 0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.41 1if5 s GLU 117 CO 0.05 -0.17 0.38 -1.17 -0.54 0.00 0.00 175.26 173.81 1if5 s LEU 118 N 1.68 4.31 -0.17 2.70 2.96 0.44 -1.74 118.68 128.86 1if5 s LEU 118 Ca -0.08 0.72 0.01 0.00 -0.22 0.00 0.00 54.13 54.56 1if5 s LEU 118 Cb -0.08 -2.53 0.01 0.00 0.50 0.00 0.00 46.19 44.09 1if5 s LEU 118 CO -0.15 0.12 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.81 1if5 s HIS 119 N 0.14 2.76 -0.35 5.38 3.76 -0.18 -1.00 115.29 125.80 1if5 s HIS 119 Ca 0.22 -1.49 -0.09 0.00 -0.15 0.00 0.00 55.06 53.54 1if5 s HIS 119 Cb -0.15 -1.90 0.03 0.00 1.11 0.00 0.00 32.58 31.67 1if5 s HIS 119 CO 0.08 -0.72 0.16 -0.51 -0.85 0.00 0.00 174.74 172.90 1if5 s LEU 120 N 1.15 4.46 -0.10 0.89 1.02 -0.55 -2.09 118.68 123.45 1if5 s LEU 120 Ca 0.01 -0.97 -0.20 0.00 0.02 0.00 0.00 54.13 52.99 1if5 s LEU 120 Cb -0.14 -1.96 -0.04 0.00 0.02 0.00 0.00 46.19 44.07 1if5 s LEU 120 CO -0.09 -0.33 0.57 -0.69 0.02 0.00 0.00 176.35 175.83 1if5 s VAL 121 N 1.51 5.13 0.07 -1.59 1.01 -0.33 -1.31 120.40 124.89 1if5 s VAL 121 Ca 0.01 1.15 0.05 0.00 0.00 0.00 0.00 61.98 63.19 1if5 s VAL 121 Cb -0.19 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1if5 s VAL 121 CO 0.05 0.29 -0.13 -1.00 0.00 0.00 0.00 175.10 174.31 1if5 s HIS 122 N 0.76 1.16 0.09 5.22 3.76 -0.38 -1.16 115.29 124.75 1if5 s HIS 122 Ca 0.31 -0.49 0.08 0.00 -0.15 0.00 0.00 55.06 54.81 1if5 s HIS 122 Cb -0.16 -0.65 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 1if5 s HIS 122 CO 0.13 0.05 -0.22 1.67 -0.85 0.00 0.00 174.74 175.52 1if5 s TRP 123 N -1.46 1.89 -0.25 1.40 1.48 -0.46 -1.51 118.94 120.03 1if5 s TRP 123 Ca -0.01 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.34 1if5 s TRP 123 Cb -0.09 -1.05 -0.03 0.00 -1.16 0.00 0.00 33.47 31.14 1if5 s TRP 123 CO 0.02 0.20 1.75 1.21 -4.06 0.00 0.00 176.95 176.07 1if5 s ASN 124 N -1.77 6.12 0.60 -2.66 3.84 0.64 -1.39 114.94 120.31 1if5 s ASN 124 Ca 0.08 1.55 0.30 0.00 0.21 0.00 0.00 52.86 55.00 1if5 s ASN 124 Cb -0.10 -2.53 1.75 0.00 -0.55 0.00 0.00 41.25 39.83 1if5 s ASN 124 CO 0.04 -1.48 2.15 0.71 -2.79 0.00 0.00 177.10 175.73 1if5 h THR 125 N 6.47 0.43 -0.92 -5.21 1.35 -1.29 -2.11 112.91 111.64 1if5 h THR 125 Ca -0.35 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 65.71 1if5 h THR 125 Cb 1.17 0.88 -0.07 0.00 -1.73 0.00 0.00 68.15 68.40 1if5 h THR 125 CO 1.01 0.00 0.60 0.50 -0.25 0.00 0.00 175.52 177.38 1if5 h LYS 127 N 0.00 0.46 0.00 4.72 3.64 -1.91 -2.52 116.57 120.97 1if5 h LYS 127 Ca 0.05 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1if5 h LYS 127 Cb 0.34 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1if5 h LYS 127 CO -0.00 0.30 0.00 0.66 -2.27 0.00 0.00 179.45 178.14 1if5 n TYR 128 N -4.55 0.00 0.00 1.91 4.01 -0.79 -4.98 117.16 112.76 1if5 n TYR 128 Ca 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 1if5 n TYR 128 Cb 0.67 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 1if5 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1if5 n GLY 129 N 1.15 2.10 3.38 2.72 0.00 -0.95 -4.60 105.19 108.98 1if5 n GLY 129 Ca 0.17 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 1if5 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1if5 s ASP 130 N 0.00 0.04 0.22 1.61 1.47 -1.26 -5.06 116.67 113.70 1if5 s ASP 130 Ca 0.00 -1.05 -0.08 0.00 1.18 0.00 0.00 52.55 52.60 1if5 s ASP 130 Cb 0.00 0.46 0.26 0.00 -0.34 0.00 0.00 42.92 43.31 1if5 s ASP 130 CO 0.00 -0.95 1.84 0.15 0.68 0.00 0.00 175.17 176.89 1if5 h PHE 131 N 2.48 0.88 -0.97 2.11 3.57 -1.95 -2.42 116.94 120.65 1if5 h PHE 131 Ca -0.31 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.32 1if5 h PHE 131 Cb 1.24 -0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.62 1if5 h PHE 131 CO 0.39 0.47 0.60 0.78 -2.23 0.00 0.00 178.31 178.32 1if5 h GLY 132 N 0.89 1.54 0.87 2.40 0.00 -1.97 -2.28 103.07 104.52 1if5 h GLY 132 Ca 0.33 -0.42 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 1if5 h GLY 132 CO -0.15 0.20 -0.48 0.50 0.00 0.00 0.00 176.54 176.61 1if5 h LYS 133 N 1.00 0.51 -1.00 4.80 1.79 -1.74 -3.30 116.57 118.62 1if5 h LYS 133 Ca 0.46 -0.41 0.24 0.00 -2.18 0.00 0.00 60.65 58.76 1if5 h LYS 133 Cb 0.38 0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 31.02 1if5 h LYS 133 CO -0.24 1.04 0.64 0.00 -1.08 0.00 0.00 179.45 179.81 1if5 h ALA 134 N 0.48 2.09 0.00 3.86 0.00 -0.95 0.11 119.26 124.86 1if5 h ALA 134 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1if5 h ALA 134 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1if5 h ALA 134 CO 0.10 -0.47 0.00 1.33 0.00 0.00 0.00 179.25 180.21 1if5 n VAL 135 N -4.64 0.00 0.04 0.00 0.24 -1.02 -2.15 118.33 110.80 1if5 n VAL 135 Ca 0.24 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.60 1if5 n VAL 135 Cb 0.78 -0.45 0.14 0.00 -1.47 0.00 0.00 33.84 32.83 1if5 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1if5 n GLN 136 N -0.77 2.18 -4.83 7.34 6.02 0.03 -4.89 117.38 122.45 1if5 n GLN 136 Ca 0.08 -1.85 -0.30 0.00 -0.01 0.00 0.00 57.00 54.93 1if5 n GLN 136 Cb 0.04 -1.29 -0.14 0.00 1.02 0.00 0.00 30.24 29.86 1if5 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1if5 s GLN 137 N -1.02 1.72 0.54 -1.09 -1.52 -0.91 -5.04 119.66 112.33 1if5 s GLN 137 Ca 0.23 -1.12 0.20 0.00 -1.95 0.00 0.00 55.36 52.72 1if5 s GLN 137 Cb 0.13 -1.93 1.40 0.00 -0.22 0.00 0.00 33.01 32.39 1if5 s GLN 137 CO 0.18 0.49 2.15 -1.35 -0.25 0.00 0.00 175.29 176.51 1if5 h PRO 138 N 4.70 0.00 -0.45 2.91 0.11 -1.86 -1.68 132.00 135.73 1if5 h PRO 138 Ca -0.47 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.32 1if5 h PRO 138 Cb 1.15 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.02 1if5 h PRO 138 CO 0.43 0.00 -0.58 -0.40 -0.21 0.00 0.00 178.00 177.24 1if5 n ASP 139 N -4.37 3.63 -0.07 -2.05 5.75 -1.26 -4.21 116.55 113.98 1if5 n ASP 139 Ca -0.02 -3.82 -0.14 0.00 -0.01 0.00 0.00 54.79 50.81 1if5 n ASP 139 Cb 0.15 -0.46 -0.06 0.00 -1.03 0.00 0.00 41.12 39.72 1if5 n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1if5 h GLY 140 N 1.64 0.57 -2.63 6.12 0.00 -0.88 -3.43 103.07 104.46 1if5 h GLY 140 Ca 0.23 -0.61 -0.59 0.00 0.00 0.00 0.00 47.33 46.36 1if5 h GLY 140 CO 0.48 0.55 -0.71 1.08 0.00 0.00 0.00 176.54 177.94 1if5 s LEU 141 N -8.97 2.90 -0.09 3.11 1.43 0.17 -0.26 118.68 116.96 1if5 s LEU 141 Ca -0.13 -0.78 -0.03 0.00 -1.03 0.00 0.00 54.13 52.16 1if5 s LEU 141 Cb 0.07 -1.46 0.04 0.00 0.03 0.00 0.00 46.19 44.87 1if5 s LEU 141 CO 0.79 0.04 0.05 0.00 0.23 0.00 0.00 176.35 177.46 1if5 s ALA 142 N -2.24 0.48 -0.17 4.21 0.00 -0.57 -1.38 121.76 122.09 1if5 s ALA 142 Ca 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 1if5 s ALA 142 Cb -0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 1if5 s ALA 142 CO 0.17 -0.71 -0.10 0.08 0.00 0.00 0.00 175.76 175.20 1if5 s VAL 143 N 2.08 3.12 -0.28 0.00 1.01 -1.09 -1.25 120.40 123.99 1if5 s VAL 143 Ca 0.04 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 1if5 s VAL 143 Cb -0.13 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 1if5 s VAL 143 CO -0.05 0.48 0.63 -0.22 0.00 0.00 0.00 175.10 175.94 1if5 s LEU 144 N 0.92 4.09 -0.14 3.92 2.96 -0.43 -2.18 118.68 127.83 1if5 s LEU 144 Ca -0.02 0.59 -0.06 0.00 -0.22 0.00 0.00 54.13 54.43 1if5 s LEU 144 Cb -0.15 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 1if5 s LEU 144 CO -0.00 -0.42 0.07 -0.83 -1.32 0.00 0.00 176.35 173.85 1if5 s GLY 145 N 1.54 1.97 -0.05 7.98 0.00 0.43 -1.48 107.32 117.71 1if5 s GLY 145 Ca 0.26 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.25 1if5 s GLY 145 CO 0.10 -0.23 -0.04 -0.42 0.00 0.00 0.00 173.10 172.50 1if5 s ILE 146 N -0.37 0.53 0.36 0.90 1.01 -0.17 -1.34 121.20 122.12 1if5 s ILE 146 Ca 0.09 -0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.44 1if5 s ILE 146 Cb -0.12 -0.57 -0.10 0.00 0.01 0.00 0.00 42.46 41.68 1if5 s ILE 146 CO 0.02 0.23 0.89 -0.36 0.00 0.00 0.00 174.94 175.71 1if5 s PHE 147 N 1.07 3.46 -0.09 3.97 0.08 -1.26 -0.42 117.98 124.79 1if5 s PHE 147 Ca -0.09 1.56 0.04 0.00 0.12 0.00 0.00 56.93 58.57 1if5 s PHE 147 Cb -0.14 -2.79 -0.00 0.00 -0.57 0.00 0.00 43.02 39.52 1if5 s PHE 147 CO -0.01 0.06 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.43 1if5 s LEU 148 N -2.71 2.06 0.13 -0.37 1.02 -0.82 -0.94 118.68 117.04 1if5 s LEU 148 Ca 0.55 -0.53 0.09 0.00 0.02 0.00 0.00 54.13 54.26 1if5 s LEU 148 Cb -0.13 -1.37 -0.04 0.00 0.02 0.00 0.00 46.19 44.68 1if5 s LEU 148 CO 0.18 0.17 -0.23 -1.59 0.02 0.00 0.00 176.35 174.90 1if5 s LYS 149 N 0.26 1.26 -0.26 1.70 -2.85 -0.34 -2.30 119.74 117.22 1if5 s LYS 149 Ca -0.16 -1.29 -0.29 0.00 -1.00 0.00 0.00 55.97 53.24 1if5 s LYS 149 Cb -0.17 -1.57 0.01 0.00 -2.06 0.00 0.00 37.83 34.04 1if5 s LYS 149 CO 0.08 0.36 1.09 0.08 0.10 0.00 0.00 175.35 177.06 1if5 s VAL 150 N -1.30 4.54 0.00 1.79 1.01 -1.26 -1.58 120.40 123.60 1if5 s VAL 150 Ca 0.11 1.83 0.00 0.00 0.00 0.00 0.00 61.98 63.92 1if5 s VAL 150 Cb -0.09 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1if5 s VAL 150 CO 0.06 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1if5 n GLY 151 N 3.60 0.99 3.86 4.51 0.00 -0.37 -4.93 105.19 112.86 1if5 n GLY 151 Ca 0.12 0.41 -0.31 0.00 0.00 0.00 0.00 46.02 46.24 1if5 n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1if5 s SER 152 N 2.00 6.52 0.35 1.61 0.01 -1.26 -4.13 113.70 118.79 1if5 s SER 152 Ca 0.00 1.41 -0.27 0.00 1.31 0.00 0.00 55.95 58.40 1if5 s SER 152 Cb 0.00 -2.45 -0.09 0.00 0.21 0.00 0.00 66.02 63.69 1if5 s SER 152 CO 0.00 -0.59 1.16 0.00 0.41 0.00 0.00 173.24 174.22 1if5 s ALA 153 N -2.66 3.29 -0.43 1.44 0.00 -1.26 -2.50 121.76 119.63 1if5 s ALA 153 Ca 0.56 0.97 -0.17 0.00 0.00 0.00 0.00 51.96 53.32 1if5 s ALA 153 Cb -0.10 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.68 1if5 s ALA 153 CO 0.36 -0.40 0.44 0.21 0.00 0.00 0.00 175.76 176.36 1if5 s LYS 154 N -1.96 3.07 0.19 0.00 2.47 -1.24 -4.83 119.74 117.43 1if5 s LYS 154 Ca 0.52 -0.86 -0.19 0.00 -1.56 0.00 0.00 55.97 53.87 1if5 s LYS 154 Cb -0.32 -4.00 0.14 0.00 -1.46 0.00 0.00 37.83 32.19 1if5 s LYS 154 CO 0.41 -0.90 1.61 -1.35 0.16 0.00 0.00 175.35 175.28 1if5 h PRO 155 N 8.75 -0.13 0.00 4.03 0.11 -1.92 -1.75 132.00 141.09 1if5 h PRO 155 Ca -0.27 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1if5 h PRO 155 Cb 1.11 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1if5 h PRO 155 CO 0.81 -0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.93 1if5 n GLY 156 N -1.42 -0.60 0.09 -0.55 0.00 -1.26 -2.02 105.19 99.42 1if5 n GLY 156 Ca 0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1if5 n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1if5 n LEU 157 N -1.27 0.67 -0.25 0.99 7.94 -0.66 -4.40 117.00 120.02 1if5 n LEU 157 Ca 0.05 0.31 0.06 0.00 -1.11 0.00 0.00 56.01 55.32 1if5 n LEU 157 Cb 0.08 0.20 0.18 0.00 0.53 0.00 0.00 43.42 44.41 1if5 n LEU 157 CO 0.07 0.32 0.93 -0.61 -1.11 0.00 0.00 177.39 177.00 1if5 h GLN 158 N 0.00 0.25 -1.00 1.96 5.75 -1.41 -0.11 115.11 120.55 1if5 h GLN 158 Ca -0.29 -0.01 0.23 0.00 -0.15 0.00 0.00 58.65 58.42 1if5 h GLN 158 Cb 1.90 -0.06 -0.10 0.00 1.07 0.00 0.00 27.48 30.29 1if5 h GLN 158 CO 0.06 0.16 0.63 0.87 -2.65 0.00 0.00 178.83 177.90 1if5 h LYS 159 N 0.26 0.54 -0.03 1.69 6.56 -1.77 0.32 116.57 124.14 1if5 h LYS 159 Ca 0.42 -0.03 -0.20 0.00 -1.06 0.00 0.00 60.65 59.77 1if5 h LYS 159 Cb 0.72 -0.12 0.01 0.00 -0.57 0.00 0.00 32.23 32.28 1if5 h LYS 159 CO -0.52 0.35 -0.78 0.28 -2.06 0.00 0.00 179.45 176.72 1if5 h VAL 160 N 0.55 1.35 -0.43 0.50 2.07 -1.30 -3.31 116.25 115.68 1if5 h VAL 160 Ca 0.58 -2.10 0.04 0.00 0.82 0.00 0.00 66.70 66.04 1if5 h VAL 160 Cb 1.20 2.40 -0.04 0.00 -1.52 0.00 0.00 31.29 33.33 1if5 h VAL 160 CO -0.33 0.63 0.19 0.58 0.02 0.00 0.00 177.57 178.66 1if5 h VAL 161 N 0.18 0.92 -0.69 2.57 2.07 -0.38 -3.01 116.25 117.91 1if5 h VAL 161 Ca -0.09 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.41 1if5 h VAL 161 Cb 1.45 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.65 1if5 h VAL 161 CO 0.15 0.07 0.30 0.44 0.02 0.00 0.00 177.57 178.55 1if5 h ASP 162 N 0.38 0.34 1.06 0.57 3.32 -1.29 -2.87 116.42 117.94 1if5 h ASP 162 Ca 0.19 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1if5 h ASP 162 Cb 0.14 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1if5 h ASP 162 CO -0.16 0.18 0.00 0.55 -1.72 0.00 0.00 179.24 178.09 1if5 n VAL 163 N -4.94 0.31 -0.15 -1.35 3.14 -1.14 -4.18 118.33 110.02 1if5 n VAL 163 Ca 0.11 -0.04 0.13 0.00 -2.96 0.00 0.00 64.34 61.58 1if5 n VAL 163 Cb 0.31 -0.61 0.48 0.00 -1.06 0.00 0.00 33.84 32.96 1if5 n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1if5 h LEU 164 N 0.00 0.43 -1.79 6.55 3.38 -1.50 -1.88 115.31 120.50 1if5 h LEU 164 Ca 0.00 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1if5 h LEU 164 Cb 0.53 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1if5 h LEU 164 CO 0.00 0.24 0.20 0.44 0.09 0.00 0.00 178.44 179.41 1if5 h ASP 165 N 0.46 0.24 0.46 -0.43 3.45 -1.80 -2.06 116.42 116.73 1if5 h ASP 165 Ca 0.34 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.80 1if5 h ASP 165 Cb 0.68 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.40 1if5 h ASP 165 CO -0.11 0.16 -0.07 -1.54 -1.57 0.00 0.00 179.24 176.11 1if5 n SER 166 N -4.49 0.26 -2.45 6.45 3.41 -0.71 -3.68 113.62 112.42 1if5 n SER 166 Ca 0.02 -0.37 -0.12 0.00 -0.26 0.00 0.00 58.87 58.14 1if5 n SER 166 Cb 0.17 -0.16 0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1if5 n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1if5 n ILE 167 N -1.12 1.87 -0.20 -1.33 -5.35 -0.79 -4.70 119.36 107.75 1if5 n ILE 167 Ca 0.14 -3.59 -0.00 0.00 -0.27 0.00 0.00 62.75 59.03 1if5 n ILE 167 Cb 0.26 0.08 0.23 0.00 -1.74 0.00 0.00 39.64 38.47 1if5 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1if5 h LYS 168 N 2.43 0.96 -6.12 6.28 3.64 -1.60 -3.41 116.57 118.75 1if5 h LYS 168 Ca 0.11 -0.09 -0.60 0.00 -1.27 0.00 0.00 60.65 58.81 1if5 h LYS 168 Cb 1.38 -0.20 -0.12 0.00 -0.41 0.00 0.00 32.23 32.87 1if5 h LYS 168 CO 0.48 0.69 -0.69 0.95 -2.27 0.00 0.00 179.45 178.60 1if5 s THR 169 N -5.71 2.67 0.22 1.00 -4.23 -1.26 -0.52 115.64 107.82 1if5 s THR 169 Ca -0.11 -2.18 -0.30 0.00 -1.18 0.00 0.00 61.69 57.92 1if5 s THR 169 Cb 0.17 -2.58 -0.15 0.00 1.34 0.00 0.00 72.50 71.28 1if5 s THR 169 CO 0.79 -0.32 1.02 1.17 -0.54 0.00 0.00 174.62 176.74 1if5 n LYS 170 N -0.78 1.09 0.00 3.99 4.81 -0.62 -2.22 118.16 124.43 1if5 n LYS 170 Ca -0.05 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 1if5 n LYS 170 Cb 0.61 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.89 1if5 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1if5 n GLY 171 N 1.67 3.04 3.77 3.14 0.00 -0.07 -4.47 105.19 112.28 1if5 n GLY 171 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1if5 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1if5 s LYS 172 N -0.29 4.00 0.05 1.61 1.02 -0.94 -4.83 119.74 120.36 1if5 s LYS 172 Ca 0.00 1.77 -0.01 0.00 0.02 0.00 0.00 55.97 57.75 1if5 s LYS 172 Cb 0.00 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 1if5 s LYS 172 CO 0.00 -0.35 -0.03 -1.54 -0.92 0.00 0.00 175.35 172.51 1if5 s SER 173 N -1.26 0.55 -0.05 2.83 1.04 -1.26 -1.00 113.70 114.55 1if5 s SER 173 Ca 0.59 -0.98 -0.10 0.00 0.48 0.00 0.00 55.95 55.93 1if5 s SER 173 Cb -0.29 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.04 1if5 s SER 173 CO 0.36 -0.57 0.25 0.00 0.98 0.00 0.00 173.24 174.25 1if5 s ALA 174 N -3.78 -0.62 0.43 5.32 0.00 0.20 -4.92 121.76 118.40 1if5 s ALA 174 Ca 0.07 0.41 -0.26 0.00 0.00 0.00 0.00 51.96 52.17 1if5 s ALA 174 Cb 0.07 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.95 1if5 s ALA 174 CO -0.09 -0.19 1.43 -0.51 0.00 0.00 0.00 175.76 176.41 1if5 s ASP 175 N -0.68 6.02 -0.45 0.00 1.01 -1.26 -1.33 116.67 119.99 1if5 s ASP 175 Ca -0.08 2.94 0.06 0.00 0.71 0.00 0.00 52.55 56.18 1if5 s ASP 175 Cb -0.04 -2.66 0.22 0.00 1.01 0.00 0.00 42.92 41.45 1if5 s ASP 175 CO 0.02 -1.08 0.64 0.33 0.21 0.00 0.00 175.17 175.29 1if5 n PHE 176 N -0.00 -2.07 -3.75 4.23 7.35 -0.34 -4.73 117.46 118.14 1if5 n PHE 176 Ca 0.04 -2.53 -0.22 0.00 -0.76 0.00 0.00 57.45 53.98 1if5 n PHE 176 Cb 0.41 0.71 -0.02 0.00 0.35 0.00 0.00 39.48 40.94 1if5 n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1if5 s THR 177 N 0.04 5.17 -1.35 -2.13 -4.23 -1.26 -3.27 115.64 108.62 1if5 s THR 177 Ca 0.33 -0.81 -0.03 0.00 -1.18 0.00 0.00 61.69 60.00 1if5 s THR 177 Cb 0.13 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1if5 s THR 177 CO -0.16 -0.41 0.44 0.59 -0.54 0.00 0.00 174.62 174.55 1if5 n ASN 178 N -1.55 -5.40 -4.82 3.99 4.13 -1.26 -4.97 115.26 105.38 1if5 n ASN 178 Ca -0.07 -0.21 -0.37 0.00 1.68 0.00 0.00 54.58 55.61 1if5 n ASN 178 Cb 0.57 -4.27 -0.06 0.00 -1.54 0.00 0.00 39.78 34.47 1if5 n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1if5 s PHE 179 N -3.05 3.60 -0.34 3.10 5.36 -1.26 -5.03 117.98 120.35 1if5 s PHE 179 Ca 0.22 0.70 -0.12 0.00 -0.96 0.00 0.00 56.93 56.77 1if5 s PHE 179 Cb -0.10 -2.17 -0.00 0.00 -0.34 0.00 0.00 43.02 40.41 1if5 s PHE 179 CO 0.27 0.57 0.21 0.34 -1.46 0.00 0.00 175.22 175.15 1if5 s ASP 180 N -0.62 5.85 0.35 6.13 -1.08 -1.26 -4.51 116.67 121.53 1if5 s ASP 180 Ca 0.18 -0.57 0.27 0.00 -0.52 0.00 0.00 52.55 51.91 1if5 s ASP 180 Cb -0.14 -2.08 1.04 0.00 -1.46 0.00 0.00 42.92 40.29 1if5 s ASP 180 CO 0.07 -0.26 1.79 1.55 0.52 0.00 0.00 175.17 178.84 1if5 h PRO 181 N 8.45 0.00 0.00 4.34 0.13 -1.95 -3.10 132.00 139.87 1if5 h PRO 181 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1if5 h PRO 181 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1if5 h PRO 181 CO 0.64 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.95 1if5 n ARG 182 N -2.53 0.02 0.00 0.86 1.74 -1.26 -1.54 116.66 113.95 1if5 n ARG 182 Ca 0.02 0.42 0.14 0.00 -0.77 0.00 0.00 57.85 57.66 1if5 n ARG 182 Cb 0.29 -1.55 0.54 0.00 -1.02 0.00 0.00 32.46 30.72 1if5 n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1if5 n GLY 183 N -0.88 -0.73 0.56 -0.13 0.00 -1.17 -3.82 105.19 99.02 1if5 n GLY 183 Ca 0.01 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.81 1if5 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1if5 n LEU 184 N -0.73 2.13 -4.79 0.99 4.77 -0.59 -4.47 117.00 114.32 1if5 n LEU 184 Ca 0.15 -0.82 -0.37 0.00 -0.03 0.00 0.00 56.01 54.94 1if5 n LEU 184 Cb 0.30 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 1if5 n LEU 184 CO 0.23 0.39 0.51 -0.76 -1.33 0.00 0.00 177.39 176.43 1if5 s LEU 185 N -2.23 4.42 1.06 2.23 1.43 -1.25 -4.95 118.68 119.39 1if5 s LEU 185 Ca 0.19 1.62 -0.18 0.00 -1.03 0.00 0.00 54.13 54.73 1if5 s LEU 185 Cb 0.17 -3.64 0.25 0.00 0.03 0.00 0.00 46.19 43.00 1if5 s LEU 185 CO 0.47 0.05 1.30 -2.16 0.23 0.00 0.00 176.35 176.24 1if5 s PRO 186 N -1.76 -0.12 0.03 1.29 0.04 -1.26 -5.01 135.00 128.22 1if5 s PRO 186 Ca 0.43 -0.45 -0.25 0.00 0.04 0.00 0.00 61.00 60.76 1if5 s PRO 186 Cb -0.19 -1.76 -0.17 0.00 0.04 0.00 0.00 34.50 32.41 1if5 s PRO 186 CO 0.24 -2.92 1.43 0.93 0.04 0.00 0.00 177.00 176.72 1if5 h GLU 187 N -2.00 -0.24 -6.11 4.56 5.08 -1.94 -3.44 114.58 110.49 1if5 h GLU 187 Ca -0.44 0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 57.37 1if5 h GLU 187 Cb 1.23 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1if5 h GLU 187 CO 0.31 0.03 -0.38 -1.54 -1.00 0.00 0.00 179.01 176.43 1if5 s SER 188 N -5.19 6.42 -0.32 1.42 1.04 -1.26 -5.02 113.70 110.79 1if5 s SER 188 Ca -0.15 0.42 0.09 0.00 0.48 0.00 0.00 55.95 56.80 1if5 s SER 188 Cb 0.03 -2.02 0.60 0.00 0.10 0.00 0.00 66.02 64.73 1if5 s SER 188 CO 0.62 0.05 1.64 0.18 0.98 0.00 0.00 173.24 176.71 1if5 n LEU 189 N -0.13 5.12 -4.77 2.42 4.77 -1.26 -4.76 117.00 118.40 1if5 n LEU 189 Ca -0.04 -3.50 -0.41 0.00 -0.03 0.00 0.00 56.01 52.03 1if5 n LEU 189 Cb 0.52 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 1if5 n LEU 189 CO 0.49 1.02 0.96 -1.81 -1.33 0.00 0.00 177.39 176.73 1if5 s ASP 190 N -1.84 6.81 0.28 -1.43 1.01 -1.26 -4.76 116.67 115.48 1if5 s ASP 190 Ca 0.49 2.66 -0.06 0.00 0.71 0.00 0.00 52.55 56.35 1if5 s ASP 190 Cb 0.42 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.69 1if5 s ASP 190 CO 0.07 -0.51 0.40 -0.72 0.21 0.00 0.00 175.17 174.62 1if5 s TYR 191 N -1.14 0.84 0.12 4.23 -0.85 -1.26 -0.81 117.35 118.48 1if5 s TYR 191 Ca 0.49 -1.11 0.11 0.00 -0.52 0.00 0.00 57.07 56.03 1if5 s TYR 191 Cb -0.39 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 41.81 1if5 s TYR 191 CO 0.52 -0.97 -0.26 -1.58 -1.52 0.00 0.00 175.55 171.73 1if5 s TRP 192 N -3.66 2.27 -0.01 -3.49 0.51 -0.10 -1.79 118.94 112.67 1if5 s TRP 192 Ca 0.30 -0.39 -0.05 0.00 -2.12 0.00 0.00 56.10 53.84 1if5 s TRP 192 Cb 0.01 -1.24 0.00 0.00 -0.81 0.00 0.00 33.47 31.43 1if5 s TRP 192 CO 0.15 0.31 0.10 -0.08 -0.51 0.00 0.00 176.95 176.91 1if5 s THR 193 N -1.04 0.06 0.05 2.01 -1.32 -0.10 -1.28 115.64 114.02 1if5 s THR 193 Ca 0.13 -0.52 -0.27 0.00 -1.21 0.00 0.00 61.69 59.82 1if5 s THR 193 Cb -0.10 -0.32 0.09 0.00 -1.51 0.00 0.00 72.50 70.66 1if5 s THR 193 CO 0.05 -0.29 0.74 -0.72 -2.21 0.00 0.00 174.62 172.20 1if5 s TYR 194 N -0.95 -0.48 -0.07 9.09 1.13 -1.07 -1.26 117.35 123.74 1if5 s TYR 194 Ca -0.10 0.44 -0.23 0.00 -1.41 0.00 0.00 57.07 55.76 1if5 s TYR 194 Cb -0.06 0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 1if5 s TYR 194 CO 0.01 -0.67 0.70 -1.25 -2.51 0.00 0.00 175.55 171.83 1if5 s PRO 195 N -2.94 4.43 0.00 -3.49 0.04 -1.26 -1.13 135.00 130.66 1if5 s PRO 195 Ca 0.00 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1if5 s PRO 195 Cb -0.01 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1if5 s PRO 195 CO -0.07 0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.44 1if5 n GLY 196 N 3.12 4.91 3.58 0.56 0.00 0.87 -4.82 105.19 113.41 1if5 n GLY 196 Ca -0.01 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 1if5 n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1if5 s SER 197 N 1.40 0.74 0.48 1.61 1.04 -1.09 -3.11 113.70 114.76 1if5 s SER 197 Ca 0.00 -1.43 -0.23 0.00 0.48 0.00 0.00 55.95 54.77 1if5 s SER 197 Cb 0.00 0.73 -0.07 0.00 0.10 0.00 0.00 66.02 66.78 1if5 s SER 197 CO 0.00 -1.43 1.27 -0.76 0.98 0.00 0.00 173.24 173.29 1if5 s LEU 198 N -3.21 4.00 0.00 2.42 1.43 -0.80 -4.41 118.68 118.12 1if5 s LEU 198 Ca 0.27 2.55 0.22 0.00 -1.03 0.00 0.00 54.13 56.14 1if5 s LEU 198 Cb -0.02 -4.17 0.76 0.00 0.03 0.00 0.00 46.19 42.79 1if5 s LEU 198 CO 0.19 -1.14 1.56 0.35 0.23 0.00 0.00 176.35 177.54 1if5 n THR 199 N -0.53 0.20 -4.15 5.49 -2.24 -1.26 -4.53 114.28 107.26 1if5 n THR 199 Ca 0.08 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 1if5 n THR 199 Cb 0.46 0.45 -0.10 0.00 -2.10 0.00 0.00 70.33 69.04 1if5 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1if5 s THR 200 N -1.80 0.54 0.61 4.28 -4.23 -1.26 -4.71 115.64 109.06 1if5 s THR 200 Ca 0.33 -1.90 -0.18 0.00 -1.18 0.00 0.00 61.69 58.76 1if5 s THR 200 Cb 0.18 -1.66 -0.05 0.00 1.34 0.00 0.00 72.50 72.31 1if5 s THR 200 CO 0.28 -0.89 0.87 -2.65 -0.54 0.00 0.00 174.62 171.68 1if5 n PRO 201 N -0.01 0.77 0.00 3.99 -0.02 -1.26 -0.70 135.00 137.77 1if5 n PRO 201 Ca -0.12 0.30 0.04 0.00 -2.02 0.00 0.00 63.50 61.70 1if5 n PRO 201 Cb 0.61 -2.07 0.22 0.00 -0.02 0.00 0.00 33.50 32.24 1if5 n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1if5 n PRO 202 N -0.89 0.57 -3.24 0.52 -0.04 -1.26 -5.00 135.00 125.66 1if5 n PRO 202 Ca 0.14 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.37 1if5 n PRO 202 Cb 0.48 -1.20 0.01 0.00 -0.04 0.00 0.00 33.50 32.74 1if5 n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1if5 n LEU 203 N -0.70 -1.84 -4.77 1.53 4.77 0.12 -4.91 117.00 111.20 1if5 n LEU 203 Ca 0.06 -0.34 -0.41 0.00 -0.03 0.00 0.00 56.01 55.29 1if5 n LEU 203 Cb 0.03 -2.35 -0.01 0.00 -2.33 0.00 0.00 43.42 38.75 1if5 n LEU 203 CO 0.04 0.17 1.04 -0.76 -1.33 0.00 0.00 177.39 176.55 1if5 s LEU 204 N -6.51 4.39 -1.21 2.23 1.43 -1.26 -4.53 118.68 113.22 1if5 s LEU 204 Ca 0.36 2.81 -0.08 0.00 -1.03 0.00 0.00 54.13 56.20 1if5 s LEU 204 Cb -0.18 -3.65 0.22 0.00 0.03 0.00 0.00 46.19 42.60 1if5 s LEU 204 CO 0.44 -0.66 1.74 -0.62 0.23 0.00 0.00 176.35 177.48 1if5 n GLU 205 N 0.77 3.91 -0.06 1.70 1.02 -1.26 -1.90 120.64 124.82 1if5 n GLU 205 Ca 0.01 -3.88 0.03 0.00 -0.02 0.00 0.00 57.16 53.29 1if5 n GLU 205 Cb 0.41 -2.78 0.04 0.00 -0.02 0.00 0.00 31.44 29.08 1if5 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1if5 s VAL 207 N -1.26 3.56 -0.42 0.00 1.01 -1.18 -0.65 120.40 121.46 1if5 s VAL 207 Ca 0.09 -0.52 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1if5 s VAL 207 Cb 0.07 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 34.03 1if5 s VAL 207 CO 0.01 0.58 0.31 -0.89 0.00 0.00 0.00 175.10 175.10 1if5 s THR 208 N -0.51 5.05 0.10 3.92 2.01 -0.48 -0.09 115.64 125.63 1if5 s THR 208 Ca 0.07 -0.87 -0.27 0.00 0.31 0.00 0.00 61.69 60.93 1if5 s THR 208 Cb -0.12 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.44 1if5 s THR 208 CO 0.02 -0.39 0.85 0.26 -0.69 0.00 0.00 174.62 174.67 1if5 s TRP 209 N 1.63 3.80 -0.36 4.92 0.52 -0.28 -2.66 118.94 126.50 1if5 s TRP 209 Ca 0.04 1.65 0.00 0.00 0.02 0.00 0.00 56.10 57.81 1if5 s TRP 209 Cb -0.21 -2.92 0.12 0.00 -1.15 0.00 0.00 33.47 29.31 1if5 s TRP 209 CO 0.08 0.29 0.16 0.42 0.02 0.00 0.00 176.95 177.91 1if5 s ILE 210 N -0.22 1.05 -0.28 2.03 1.01 -0.93 -2.60 121.20 121.25 1if5 s ILE 210 Ca 0.42 -1.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.05 1if5 s ILE 210 Cb -0.22 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1if5 s ILE 210 CO 0.27 -0.78 0.37 -0.69 0.00 0.00 0.00 174.94 174.11 1if5 s VAL 211 N 1.10 5.17 0.30 2.92 1.01 -0.40 -0.43 120.40 130.07 1if5 s VAL 211 Ca 0.13 0.51 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 1if5 s VAL 211 Cb -0.20 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 1if5 s VAL 211 CO -0.13 0.12 1.11 -0.76 0.00 0.00 0.00 175.10 175.43 1if5 s LEU 212 N 2.07 4.48 0.06 3.92 1.43 -0.45 -0.92 118.68 129.27 1if5 s LEU 212 Ca 0.15 2.27 -0.18 0.00 -1.03 0.00 0.00 54.13 55.33 1if5 s LEU 212 Cb -0.16 -3.72 -0.12 0.00 0.03 0.00 0.00 46.19 42.22 1if5 s LEU 212 CO 0.10 -0.23 1.36 0.50 0.23 0.00 0.00 176.35 178.32 1if5 h LYS 213 N 3.57 0.50 -5.85 1.70 3.64 -1.32 -3.44 116.57 115.38 1if5 h LYS 213 Ca -0.47 -0.27 -0.59 0.00 -1.27 0.00 0.00 60.65 58.05 1if5 h LYS 213 Cb 1.21 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 1if5 h LYS 213 CO 0.66 0.85 0.54 -2.00 -2.27 0.00 0.00 179.45 177.23 1if5 s GLU 214 N -4.28 4.19 0.43 1.90 2.12 -1.26 -5.03 118.70 116.77 1if5 s GLU 214 Ca -0.13 1.02 -0.14 0.00 0.36 0.00 0.00 54.97 56.07 1if5 s GLU 214 Cb 0.06 -3.65 -0.08 0.00 0.26 0.00 0.00 34.13 30.73 1if5 s GLU 214 CO 0.79 -0.55 0.86 -1.25 -0.54 0.00 0.00 175.26 174.57 1if5 s PRO 215 N 2.92 3.92 0.21 4.30 0.04 -1.26 -4.71 135.00 140.41 1if5 s PRO 215 Ca 0.37 0.73 -0.05 0.00 0.04 0.00 0.00 61.00 62.09 1if5 s PRO 215 Cb -0.15 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 1if5 s PRO 215 CO 0.07 -0.09 0.46 0.96 0.04 0.00 0.00 177.00 178.44 1if5 s ILE 216 N -2.38 5.10 -0.05 0.56 -4.36 -0.12 -4.93 121.20 115.02 1if5 s ILE 216 Ca 0.55 0.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.97 1if5 s ILE 216 Cb -0.10 -3.68 -0.03 0.00 1.25 0.00 0.00 42.46 39.90 1if5 s ILE 216 CO 0.27 -0.13 -0.01 -0.94 0.24 0.00 0.00 174.94 174.37 1if5 s SER 217 N -2.78 5.07 0.13 4.36 1.04 -1.26 -1.20 113.70 119.05 1if5 s SER 217 Ca 0.42 0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.94 1if5 s SER 217 Cb -0.11 -1.35 -0.04 0.00 0.10 0.00 0.00 66.02 64.61 1if5 s SER 217 CO 0.26 0.33 -0.10 0.68 0.98 0.00 0.00 173.24 175.40 1if5 s VAL 218 N -0.95 1.03 0.61 5.02 -7.23 -0.61 -3.73 120.40 114.54 1if5 s VAL 218 Ca 0.16 -1.93 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 1if5 s VAL 218 Cb -0.11 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 1if5 s VAL 218 CO 0.05 -0.72 1.02 -0.94 -0.31 0.00 0.00 175.10 174.21 1if5 s SER 219 N -2.96 6.27 0.17 4.85 1.04 -1.16 -1.23 113.70 120.68 1if5 s SER 219 Ca 0.13 1.42 -0.15 0.00 0.48 0.00 0.00 55.95 57.83 1if5 s SER 219 Cb 0.02 -2.47 0.14 0.00 0.10 0.00 0.00 66.02 63.80 1if5 s SER 219 CO -0.01 -0.84 1.70 -1.28 0.98 0.00 0.00 173.24 173.80 1if5 h SER 220 N -0.20 -0.12 -0.76 7.02 0.87 -1.93 -1.60 113.55 116.84 1if5 h SER 220 Ca -0.44 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 1if5 h SER 220 Cb 1.19 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 63.27 1if5 h SER 220 CO 0.62 -0.02 0.44 -0.33 -0.53 0.00 0.00 176.83 177.01 1if5 h GLU 221 N 0.14 1.04 -0.38 2.24 3.07 -1.96 -0.53 114.58 118.20 1if5 h GLU 221 Ca 0.21 -0.10 0.01 0.00 -0.50 0.00 0.00 59.36 58.98 1if5 h GLU 221 Cb 0.30 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1if5 h GLU 221 CO -0.33 0.75 0.23 1.96 -1.40 0.00 0.00 179.01 180.22 1if5 h GLN 222 N 1.04 0.46 -0.02 2.33 4.20 -1.69 -2.68 115.11 118.75 1if5 h GLN 222 Ca 0.27 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.78 1if5 h GLN 222 Cb -0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1if5 h GLN 222 CO -0.05 0.31 -0.75 0.28 -0.67 0.00 0.00 178.83 177.95 1if5 h VAL 223 N 0.48 1.46 -0.68 -0.54 2.07 -1.25 -3.17 116.25 114.62 1if5 h VAL 223 Ca 0.15 -2.36 0.13 0.00 0.82 0.00 0.00 66.70 65.43 1if5 h VAL 223 Cb -0.02 2.27 -0.09 0.00 -1.52 0.00 0.00 31.29 31.94 1if5 h VAL 223 CO -0.05 0.69 0.23 0.25 0.02 0.00 0.00 177.57 178.70 1if5 h LEU 224 N 0.11 0.17 -1.83 2.57 6.46 -0.89 -0.73 115.31 121.17 1if5 h LEU 224 Ca -0.02 0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1if5 h LEU 224 Cb 1.32 0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 41.36 1if5 h LEU 224 CO 0.11 0.07 -0.13 0.11 -0.62 0.00 0.00 178.44 177.98 1if5 h LYS 225 N 0.37 0.00 -0.27 1.25 1.57 -1.45 -2.35 116.57 115.69 1if5 h LYS 225 Ca 0.37 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.11 1if5 h LYS 225 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1if5 h LYS 225 CO -0.40 0.13 0.04 0.74 -0.57 0.00 0.00 179.45 179.39 1if5 h PHE 226 N 0.00 0.49 0.00 -1.35 -1.00 -1.20 -2.94 116.94 110.94 1if5 h PHE 226 Ca -0.00 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.71 1if5 h PHE 226 Cb 0.37 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.80 1if5 h PHE 226 CO 0.00 0.57 0.00 0.54 -1.61 0.00 0.00 178.31 177.81 1if5 n ARG 227 N -4.65 0.22 0.02 1.51 1.74 -0.88 -2.66 116.66 111.95 1if5 n ARG 227 Ca -0.03 0.08 0.11 0.00 -0.77 0.00 0.00 57.85 57.24 1if5 n ARG 227 Cb 0.21 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.21 1if5 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1if5 n LYS 228 N -1.11 0.21 -0.90 5.56 4.01 -1.11 -4.48 118.16 120.34 1if5 n LYS 228 Ca 0.06 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.57 1if5 n LYS 228 Cb 0.04 -1.57 0.19 0.00 -0.51 0.00 0.00 35.03 33.19 1if5 n LYS 228 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1if5 s LEU 229 N -3.69 1.59 0.02 -0.35 1.43 -1.09 -4.86 118.68 111.73 1if5 s LEU 229 Ca 0.05 1.48 0.06 0.00 -1.03 0.00 0.00 54.13 54.70 1if5 s LEU 229 Cb 0.15 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.71 1if5 s LEU 229 CO 0.79 -3.41 -0.18 0.20 0.23 0.00 0.00 176.35 173.97 1if5 s ASN 230 N -3.03 2.18 0.13 2.29 0.02 0.32 -1.00 114.94 115.86 1if5 s ASN 230 Ca 0.66 -0.43 -0.10 0.00 -1.02 0.00 0.00 52.86 51.98 1if5 s ASN 230 Cb -0.21 -0.20 -0.08 0.00 0.02 0.00 0.00 41.25 40.78 1if5 s ASN 230 CO 0.60 0.17 1.37 -0.26 0.02 0.00 0.00 177.10 178.99 1if5 h PHE 231 N 5.23 0.96 -4.18 2.20 0.04 -1.49 -3.35 116.94 116.34 1if5 h PHE 231 Ca -0.39 -0.40 -0.50 0.00 2.80 0.00 0.00 57.97 59.48 1if5 h PHE 231 Cb 1.16 -0.16 0.07 0.00 2.20 0.00 0.00 35.95 39.22 1if5 h PHE 231 CO 0.46 1.21 0.38 0.54 -0.60 0.00 0.00 178.31 180.30 1if5 s ASN 232 N -7.04 5.63 0.94 2.17 4.22 -1.26 -4.35 114.94 115.25 1if5 s ASN 232 Ca -0.09 1.90 -0.14 0.00 -2.14 0.00 0.00 52.86 52.39 1if5 s ASN 232 Cb 0.09 -2.54 0.19 0.00 1.28 0.00 0.00 41.25 40.27 1if5 s ASN 232 CO 0.89 -1.27 1.29 -0.83 -2.04 0.00 0.00 177.10 175.13 1if5 s GLY 233 N -2.60 1.78 0.36 0.45 0.00 -1.26 -1.59 107.32 104.46 1if5 s GLY 233 Ca 0.65 -1.25 -0.28 0.00 0.00 0.00 0.00 44.72 43.85 1if5 s GLY 233 CO 0.36 -0.51 1.29 1.85 0.00 0.00 0.00 173.10 176.10 1if5 s GLU 234 N -5.81 4.21 0.00 2.90 2.12 -1.26 -3.04 118.70 117.81 1if5 s GLU 234 Ca 0.73 2.17 0.00 0.00 0.36 0.00 0.00 54.97 58.23 1if5 s GLU 234 Cb -0.04 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.41 1if5 s GLU 234 CO 0.52 -0.30 0.00 0.41 -0.54 0.00 0.00 175.26 175.35 1if5 n GLY 235 N 0.74 0.97 3.89 -1.50 0.00 -1.26 -5.04 105.19 102.99 1if5 n GLY 235 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1if5 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1if5 s GLU 236 N -0.19 2.78 0.73 1.61 2.02 -1.17 -5.08 118.70 119.40 1if5 s GLU 236 Ca 0.00 -1.28 -0.16 0.00 0.02 0.00 0.00 54.97 53.56 1if5 s GLU 236 Cb 0.00 -2.55 0.03 0.00 0.10 0.00 0.00 34.13 31.72 1if5 s GLU 236 CO 0.00 0.02 1.23 -2.30 0.02 0.00 0.00 175.26 174.22 1if5 n PRO 237 N -1.49 0.64 -3.00 0.39 -0.02 -1.26 -4.92 135.00 125.35 1if5 n PRO 237 Ca 0.00 0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 61.36 1if5 n PRO 237 Cb 0.60 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 1if5 n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1if5 s GLU 238 N -3.70 4.22 -0.26 -0.52 2.12 -1.26 -4.74 118.70 114.56 1if5 s GLU 238 Ca 0.78 0.81 0.02 0.00 0.36 0.00 0.00 54.97 56.94 1if5 s GLU 238 Cb -0.34 -3.60 0.06 0.00 0.26 0.00 0.00 34.13 30.52 1if5 s GLU 238 CO 0.46 -0.34 -0.07 -2.00 -0.54 0.00 0.00 175.26 172.76 1if5 s GLU 239 N 2.23 1.92 0.19 4.30 2.12 -1.26 -5.07 118.70 123.13 1if5 s GLU 239 Ca 0.33 -1.24 -0.33 0.00 0.36 0.00 0.00 54.97 54.08 1if5 s GLU 239 Cb -0.16 -2.78 -0.14 0.00 0.26 0.00 0.00 34.13 31.31 1if5 s GLU 239 CO 0.10 -0.62 1.51 1.28 -0.54 0.00 0.00 175.26 177.00 1if5 n LEU 240 N 4.52 3.08 -4.55 2.70 4.77 -1.26 -1.38 117.00 124.88 1if5 n LEU 240 Ca -0.12 1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 56.56 1if5 n LEU 240 Cb 0.43 -1.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.06 1if5 n LEU 240 CO 0.20 -0.37 1.36 -0.32 -1.33 0.00 0.00 177.39 176.93 1if5 s MET 241 N 0.40 3.48 0.07 3.23 -2.45 -0.17 -4.65 119.30 119.20 1if5 s MET 241 Ca 0.75 -0.93 -0.04 0.00 -1.25 0.00 0.00 55.69 54.22 1if5 s MET 241 Cb -0.67 -5.02 -0.03 0.00 1.25 0.00 0.00 34.83 30.36 1if5 s MET 241 CO 0.42 -2.16 0.06 0.14 1.05 0.00 0.00 175.02 174.53 1if5 s VAL 242 N 5.03 0.19 -1.40 10.11 -7.23 -1.26 -4.54 120.40 121.30 1if5 s VAL 242 Ca 0.42 -1.57 -0.06 0.00 -1.81 0.00 0.00 61.98 58.95 1if5 s VAL 242 Cb -0.03 -1.46 0.04 0.00 0.56 0.00 0.00 36.38 35.49 1if5 s VAL 242 CO -0.03 -0.86 0.86 0.47 -0.31 0.00 0.00 175.10 175.24 1if5 n ASP 243 N 0.04 -3.09 -3.29 4.85 8.00 -0.16 -4.88 116.55 118.02 1if5 n ASP 243 Ca -0.14 -0.78 -0.37 0.00 0.71 0.00 0.00 54.79 54.21 1if5 n ASP 243 Cb 0.62 -4.09 -0.01 0.00 -0.02 0.00 0.00 41.12 37.61 1if5 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1if5 n ASN 244 N -2.96 7.68 -4.16 -2.24 6.94 -1.09 -4.92 115.26 114.50 1if5 n ASN 244 Ca -0.13 -3.21 -0.17 0.00 -0.02 0.00 0.00 54.58 51.05 1if5 n ASN 244 Cb 0.61 -1.32 -0.12 0.00 -2.36 0.00 0.00 39.78 36.59 1if5 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1if5 s TRP 245 N -1.56 1.15 -0.16 -2.53 1.48 -1.26 -4.54 118.94 111.51 1if5 s TRP 245 Ca 0.54 -0.49 -0.10 0.00 -1.06 0.00 0.00 56.10 54.98 1if5 s TRP 245 Cb 0.23 -0.64 -0.05 0.00 -1.16 0.00 0.00 33.47 31.85 1if5 s TRP 245 CO -0.13 0.04 0.18 0.50 -4.06 0.00 0.00 176.95 173.48 1if5 s ARG 246 N -1.90 3.98 0.65 3.25 3.52 -1.26 -4.95 118.95 122.23 1if5 s ARG 246 Ca -0.01 -0.10 -0.18 0.00 -0.13 0.00 0.00 55.73 55.31 1if5 s ARG 246 Cb -0.09 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1if5 s ARG 246 CO 0.02 0.44 1.29 -1.25 -0.81 0.00 0.00 175.30 174.99 1if5 s PRO 247 N -0.08 2.54 0.19 5.12 0.04 -1.26 -4.71 135.00 136.84 1if5 s PRO 247 Ca 0.12 2.04 -0.33 0.00 0.04 0.00 0.00 61.00 62.88 1if5 s PRO 247 Cb -0.12 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.45 1if5 s PRO 247 CO 0.02 -1.60 1.69 0.00 0.04 0.00 0.00 177.00 177.14 1if5 n ALA 248 N -1.94 2.44 -2.58 8.56 0.00 -1.26 -4.48 120.51 121.25 1if5 n ALA 248 Ca 0.16 0.41 -0.25 0.00 0.00 0.00 0.00 53.44 53.76 1if5 n ALA 248 Cb 0.48 -2.48 -0.01 0.00 0.00 0.00 0.00 19.45 17.44 1if5 n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1if5 s GLN 249 N 1.11 3.51 0.21 0.00 -1.52 0.18 -4.96 119.66 118.18 1if5 s GLN 249 Ca 0.76 -0.21 -0.30 0.00 -1.95 0.00 0.00 55.36 53.66 1if5 s GLN 249 Cb -0.55 -2.61 -0.09 0.00 -0.22 0.00 0.00 33.01 29.54 1if5 s GLN 249 CO 0.34 0.09 1.37 -1.25 -0.25 0.00 0.00 175.29 175.59 1if5 s PRO 250 N -4.33 4.33 0.46 2.91 0.04 -1.26 -4.60 135.00 132.54 1if5 s PRO 250 Ca 0.42 2.15 0.21 0.00 0.04 0.00 0.00 61.00 63.82 1if5 s PRO 250 Cb -0.10 -3.17 1.11 0.00 0.04 0.00 0.00 34.50 32.39 1if5 s PRO 250 CO 0.37 -0.34 1.95 1.25 0.04 0.00 0.00 177.00 180.27 1if5 h LEU 251 N 5.45 0.00 0.00 -3.56 5.85 -1.94 -3.45 115.31 117.66 1if5 h LEU 251 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1if5 h LEU 251 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1if5 h LEU 251 CO 0.79 0.22 0.00 0.29 -0.34 0.00 0.00 178.44 179.40 1if5 n LYS 252 N -3.80 0.00 -1.73 1.25 5.02 -1.26 -2.91 118.16 114.73 1if5 n LYS 252 Ca -0.02 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.91 1if5 n LYS 252 Cb 0.32 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.35 1if5 n LYS 252 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1if5 n ASN 253 N 3.81 7.31 -4.54 4.39 5.03 -1.26 -4.95 115.26 125.05 1if5 n ASN 253 Ca 0.00 -3.68 -0.26 0.00 0.87 0.00 0.00 54.58 51.51 1if5 n ASN 253 Cb 0.00 -1.09 -0.11 0.00 -1.02 0.00 0.00 39.78 37.56 1if5 n ASN 253 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1if5 s ARG 254 N -3.50 1.81 -0.02 3.52 0.52 -1.14 -5.16 118.95 114.98 1if5 s ARG 254 Ca 0.54 -1.96 0.01 0.00 -0.52 0.00 0.00 55.73 53.81 1if5 s ARG 254 Cb 0.43 -1.59 0.01 0.00 0.52 0.00 0.00 34.95 34.32 1if5 s ARG 254 CO -0.32 0.07 -0.03 -1.14 0.02 0.00 0.00 175.30 173.91 1if5 s GLN 255 N -3.66 0.41 -0.28 3.54 0.74 -1.26 -5.06 119.66 114.10 1if5 s GLN 255 Ca 0.33 -0.06 -0.17 0.00 0.05 0.00 0.00 55.36 55.51 1if5 s GLN 255 Cb 0.05 -0.48 -0.02 0.00 1.10 0.00 0.00 33.01 33.65 1if5 s GLN 255 CO 0.16 -0.02 0.48 0.42 -0.55 0.00 0.00 175.29 175.78 1if5 s ILE 256 N 0.49 5.08 -0.02 -2.34 1.01 -1.26 -4.69 121.20 119.47 1if5 s ILE 256 Ca -0.05 0.70 -0.08 0.00 0.00 0.00 0.00 60.65 61.21 1if5 s ILE 256 Cb -0.08 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 1if5 s ILE 256 CO -0.01 0.04 0.26 -0.54 0.00 0.00 0.00 174.94 174.70 1if5 s LYS 257 N 2.27 3.61 0.02 2.79 1.02 -0.39 -1.19 119.74 127.88 1if5 s LYS 257 Ca 0.19 0.00 0.05 0.00 0.02 0.00 0.00 55.97 56.24 1if5 s LYS 257 Cb -0.16 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 1if5 s LYS 257 CO 0.10 0.69 -0.13 0.00 -0.92 0.00 0.00 175.35 175.09 1if5 s ALA 258 N -1.20 2.78 -1.78 5.17 0.00 -0.45 -0.92 121.76 125.36 1if5 s ALA 258 Ca 0.24 -1.11 0.15 0.00 0.00 0.00 0.00 51.96 51.24 1if5 s ALA 258 Cb -0.14 -0.91 0.49 0.00 0.00 0.00 0.00 23.12 22.56 1if5 s ALA 258 CO 0.13 0.59 1.39 -1.13 0.00 0.00 0.00 175.76 176.74 1if5 n SER 259 N 1.57 3.07 -4.07 0.00 3.41 -0.74 -1.17 113.62 115.69 1if5 n SER 259 Ca -0.16 -2.10 -0.10 0.00 -0.26 0.00 0.00 58.87 56.26 1if5 n SER 259 Cb 0.52 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.99 1if5 n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1if5 s PHE 260 N -1.43 0.70 0.00 7.33 -0.71 -1.26 -4.88 117.98 117.73 1if5 s PHE 260 Ca 0.36 -1.04 0.00 0.00 -1.04 0.00 0.00 56.93 55.21 1if5 s PHE 260 Cb 0.20 -0.27 0.00 0.00 -1.21 0.00 0.00 43.02 41.74 1if5 s PHE 260 CO 0.22 -0.66 0.34 1.17 -1.34 0.00 0.00 175.22 174.95