#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibl s HIS 4 N 0.00 -0.29 0.73 4.41 -0.00 -1.26 -5.15 115.29 113.73 3ibl s HIS 4 Ca 0.00 0.24 -0.15 0.00 -0.00 0.00 0.00 55.06 55.15 3ibl s HIS 4 Cb 0.00 0.25 0.04 0.00 -0.00 0.00 0.00 32.58 32.87 3ibl s HIS 4 CO 0.00 -0.60 1.23 1.67 -0.00 0.00 0.00 174.74 177.04 3ibl s TRP 5 N -2.63 1.97 0.00 0.38 1.48 -1.26 -4.88 118.94 114.00 3ibl s TRP 5 Ca -0.04 1.59 0.00 0.00 -1.06 0.00 0.00 56.10 56.59 3ibl s TRP 5 Cb -0.00 -3.54 0.00 0.00 -1.16 0.00 0.00 33.47 28.76 3ibl s TRP 5 CO -0.03 -2.79 0.00 0.41 -4.06 0.00 0.00 176.95 170.48 3ibl n GLY 6 N 0.58 2.75 0.18 3.67 0.00 0.13 -5.03 105.19 107.47 3ibl n GLY 6 Ca 0.14 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.85 3ibl n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ibl n TYR 7 N 0.00 0.00 -2.17 1.61 4.02 -1.26 -3.75 117.16 115.61 3ibl n TYR 7 Ca 0.00 -0.61 -0.28 0.00 -0.01 0.00 0.00 57.90 57.00 3ibl n TYR 7 Cb 0.00 -0.10 0.17 0.00 -0.02 0.00 0.00 39.34 39.38 3ibl n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3ibl s GLY 8 N -2.00 1.78 0.45 2.72 0.00 -1.26 -4.68 107.32 104.33 3ibl s GLY 8 Ca 0.18 -1.44 0.23 0.00 0.00 0.00 0.00 44.72 43.69 3ibl s GLY 8 CO 0.02 -0.72 1.90 1.70 0.00 0.00 0.00 173.10 176.00 3ibl h LYS 9 N -1.29 0.00 0.00 2.90 1.63 -1.97 0.11 116.57 117.95 3ibl h LYS 9 Ca -0.41 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 3ibl h LYS 9 Cb 1.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 3ibl h LYS 9 CO 0.37 0.23 -1.19 0.72 -3.45 0.00 0.00 179.45 176.13 3ibl n HIS 10 N -3.58 0.00 -1.40 1.91 8.25 -1.26 -4.50 115.22 114.64 3ibl n HIS 10 Ca -0.01 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.46 3ibl n HIS 10 Cb 0.37 -0.10 0.01 0.00 1.12 0.00 0.00 29.99 31.39 3ibl n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3ibl n ASN 11 N -1.65 0.24 -2.43 0.41 6.94 -1.19 -4.95 115.26 112.63 3ibl n ASN 11 Ca 0.02 -1.62 -0.05 0.00 -0.02 0.00 0.00 54.58 52.92 3ibl n ASN 11 Cb 0.37 -0.11 0.03 0.00 -2.36 0.00 0.00 39.78 37.72 3ibl n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ibl n GLY 12 N -0.11 -1.67 0.40 4.83 0.00 0.38 -0.69 105.19 108.33 3ibl n GLY 12 Ca 0.01 -1.59 0.29 0.00 0.00 0.00 0.00 46.02 44.73 3ibl n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ibl h PRO 13 N 0.00 0.22 0.00 1.61 0.11 -1.84 0.96 132.00 133.05 3ibl h PRO 13 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3ibl h PRO 13 Cb 0.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3ibl h PRO 13 CO 0.04 0.14 0.00 0.39 -0.21 0.00 0.00 178.00 178.37 3ibl n GLU 14 N -4.84 0.09 -0.02 1.05 -0.58 -1.26 -3.16 120.64 111.91 3ibl n GLU 14 Ca 0.33 0.25 0.08 0.00 -0.42 0.00 0.00 57.16 57.40 3ibl n GLU 14 Cb 1.16 -1.64 -0.15 0.00 -0.57 0.00 0.00 31.44 30.24 3ibl n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3ibl n HIS 15 N -1.80 0.00 -0.30 -0.32 8.25 0.32 -4.64 115.22 116.73 3ibl n HIS 15 Ca 0.04 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.66 3ibl n HIS 15 Cb 0.25 -0.48 0.43 0.00 1.12 0.00 0.00 29.99 31.30 3ibl n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3ibl h TRP 16 N 0.00 0.78 -0.18 4.41 6.55 -1.47 -2.43 115.95 123.60 3ibl h TRP 16 Ca -0.05 0.02 0.05 0.00 0.95 0.00 0.00 58.89 59.87 3ibl h TRP 16 Cb 1.00 -0.24 -0.01 0.00 -0.86 0.00 0.00 29.16 29.06 3ibl h TRP 16 CO 0.00 0.19 0.17 1.12 -1.05 0.00 0.00 178.44 178.87 3ibl h HIS 17 N 0.57 0.00 -0.08 0.49 2.07 -1.79 0.95 115.15 117.36 3ibl h HIS 17 Ca 0.52 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.98 3ibl h HIS 17 Cb 1.06 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.03 3ibl h HIS 17 CO -0.00 0.00 -0.26 0.87 -3.07 0.00 0.00 177.93 175.47 3ibl h LYS 18 N 0.00 0.13 0.00 5.12 1.57 -1.78 -2.20 116.57 119.41 3ibl h LYS 18 Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3ibl h LYS 18 Cb 0.43 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3ibl h LYS 18 CO -0.00 0.38 -1.31 -0.25 -0.57 0.00 0.00 179.45 177.71 3ibl n ASP 19 N -4.19 1.90 -3.42 0.86 8.00 -0.88 -4.74 116.55 114.08 3ibl n ASP 19 Ca -0.01 -0.18 -0.26 0.00 0.71 0.00 0.00 54.79 55.05 3ibl n ASP 19 Cb 0.34 1.41 -0.09 0.00 -0.02 0.00 0.00 41.12 42.76 3ibl n ASP 19 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ibl n PHE 20 N -1.76 0.85 0.00 1.24 3.72 0.28 -4.98 117.46 116.81 3ibl n PHE 20 Ca -0.01 -3.73 0.23 0.00 -0.05 0.00 0.00 57.45 53.89 3ibl n PHE 20 Cb 0.28 -0.25 0.64 0.00 -0.94 0.00 0.00 39.48 39.20 3ibl n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3ibl h PRO 21 N 4.77 0.00 0.00 -1.08 0.13 -1.62 0.99 132.00 135.19 3ibl h PRO 21 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3ibl h PRO 21 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3ibl h PRO 21 CO 0.55 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.83 3ibl n ILE 22 N -3.48 1.27 0.25 -3.56 3.06 -1.26 -2.22 119.36 113.42 3ibl n ILE 22 Ca 0.12 0.32 0.18 0.00 -2.50 0.00 0.00 62.75 60.87 3ibl n ILE 22 Cb 0.92 -1.17 0.90 0.00 0.54 0.00 0.00 39.64 40.83 3ibl n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ibl h ALA 23 N 2.32 1.57 -0.46 1.51 0.00 -1.12 0.35 119.26 123.44 3ibl h ALA 23 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3ibl h ALA 23 Cb 0.13 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 3ibl h ALA 23 CO 0.00 -0.26 0.08 1.63 0.00 0.00 0.00 179.25 180.71 3ibl n LYS 24 N -3.49 2.56 -0.52 0.00 5.02 -0.94 -4.96 118.16 115.83 3ibl n LYS 24 Ca 0.00 -3.04 -0.15 0.00 -2.02 0.00 0.00 58.31 53.09 3ibl n LYS 24 Cb 0.30 -1.93 0.13 0.00 -0.02 0.00 0.00 35.03 33.50 3ibl n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ibl n GLY 25 N -0.76 -2.68 0.06 0.72 0.00 0.12 -4.99 105.19 97.66 3ibl n GLY 25 Ca 0.33 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 45.02 3ibl n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ibl n GLU 26 N -3.27 0.24 -3.07 1.61 -0.58 -1.26 -4.38 120.64 109.93 3ibl n GLU 26 Ca 0.08 0.09 -0.16 0.00 -0.42 0.00 0.00 57.16 56.74 3ibl n GLU 26 Cb 0.30 -1.67 -0.02 0.00 -0.57 0.00 0.00 31.44 29.49 3ibl n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3ibl n ARG 27 N -2.03 1.05 -3.05 3.49 1.85 -1.26 -4.55 116.66 112.16 3ibl n ARG 27 Ca 0.04 -3.38 -0.31 0.00 -1.00 0.00 0.00 57.85 53.20 3ibl n ARG 27 Cb 0.42 -1.62 -0.04 0.00 -1.05 0.00 0.00 32.46 30.17 3ibl n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3ibl s GLN 28 N -2.60 3.85 0.19 2.89 -1.52 -1.26 -2.71 119.66 118.50 3ibl s GLN 28 Ca 0.37 0.48 0.08 0.00 -1.95 0.00 0.00 55.36 54.34 3ibl s GLN 28 Cb 0.37 -2.45 -0.04 0.00 -0.22 0.00 0.00 33.01 30.67 3ibl s GLN 28 CO -0.06 0.09 -0.16 -1.12 -0.25 0.00 0.00 175.29 173.79 3ibl s SER 29 N -2.76 2.61 0.99 5.90 0.01 -1.26 -4.67 113.70 114.51 3ibl s SER 29 Ca 0.51 -0.95 -0.12 0.00 1.31 0.00 0.00 55.95 56.71 3ibl s SER 29 Cb -0.10 -0.15 0.17 0.00 0.21 0.00 0.00 66.02 66.15 3ibl s SER 29 CO 0.25 -0.11 0.98 -0.81 0.41 0.00 0.00 173.24 173.97 3ibl n PRO 30 N -0.07 -0.93 -4.03 12.44 -0.04 -1.26 -4.50 135.00 136.60 3ibl n PRO 30 Ca -0.10 -1.55 -0.09 0.00 -0.04 0.00 0.00 63.50 61.72 3ibl n PRO 30 Cb 0.59 -1.00 -0.09 0.00 -0.04 0.00 0.00 33.50 32.96 3ibl n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ibl s VAL 31 N -3.14 0.14 0.14 0.52 -7.23 -1.26 -0.26 120.40 109.31 3ibl s VAL 31 Ca 0.56 -1.62 -0.28 0.00 -1.81 0.00 0.00 61.98 58.83 3ibl s VAL 31 Cb -0.02 -1.69 -0.07 0.00 0.56 0.00 0.00 36.38 35.17 3ibl s VAL 31 CO 0.39 -0.64 0.87 -0.62 -0.31 0.00 0.00 175.10 174.79 3ibl s ASP 32 N -2.95 7.44 -0.47 4.85 3.68 -1.26 -3.18 116.67 124.78 3ibl s ASP 32 Ca 0.13 1.71 -0.15 0.00 2.13 0.00 0.00 52.55 56.38 3ibl s ASP 32 Cb 0.06 -2.54 0.08 0.00 -1.45 0.00 0.00 42.92 39.07 3ibl s ASP 32 CO -0.05 0.07 0.38 -0.63 0.13 0.00 0.00 175.17 175.07 3ibl s ILE 33 N -0.55 5.11 -0.70 4.11 1.01 0.91 -4.93 121.20 126.17 3ibl s ILE 33 Ca 0.41 -1.12 -0.26 0.00 0.00 0.00 0.00 60.65 59.68 3ibl s ILE 33 Cb -0.23 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.21 3ibl s ILE 33 CO 0.28 -0.58 1.17 -0.62 0.00 0.00 0.00 174.94 175.19 3ibl s ASP 34 N 2.58 6.20 0.50 3.58 3.68 -1.26 -1.06 116.67 130.88 3ibl s ASP 34 Ca 0.04 -0.54 0.20 0.00 2.13 0.00 0.00 52.55 54.38 3ibl s ASP 34 Cb -0.24 -2.52 1.27 0.00 -1.45 0.00 0.00 42.92 39.98 3ibl s ASP 34 CO 0.06 -1.68 2.02 0.71 0.13 0.00 0.00 175.17 176.42 3ibl h THR 35 N 6.02 0.83 0.00 1.71 1.35 -1.95 -1.05 112.91 119.83 3ibl h THR 35 Ca -0.28 -0.04 -0.07 0.00 -0.55 0.00 0.00 66.41 65.47 3ibl h THR 35 Cb 1.06 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 3ibl h THR 35 CO 1.24 0.02 -0.33 0.45 -0.25 0.00 0.00 175.52 176.65 3ibl h HIS 36 N 0.12 0.00 0.00 4.73 3.86 -2.03 -3.25 115.15 118.58 3ibl h HIS 36 Ca 0.21 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.32 3ibl h HIS 36 Cb 0.68 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 3ibl h HIS 36 CO -0.00 0.33 -1.28 2.41 0.86 0.00 0.00 177.93 180.24 3ibl n THR 37 N -3.20 0.92 -2.05 2.45 -1.04 -0.66 -4.88 114.28 105.82 3ibl n THR 37 Ca 0.02 -0.63 -0.40 0.00 -2.04 0.00 0.00 64.05 61.00 3ibl n THR 37 Cb 0.65 -0.55 -0.01 0.00 -1.82 0.00 0.00 70.33 68.60 3ibl n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ibl s ALA 38 N -3.12 3.38 -0.05 2.41 0.00 -0.49 -4.85 121.76 119.03 3ibl s ALA 38 Ca -0.02 1.28 0.06 0.00 0.00 0.00 0.00 51.96 53.27 3ibl s ALA 38 Cb 0.09 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 3ibl s ALA 38 CO 0.81 -0.78 -0.23 0.21 0.00 0.00 0.00 175.76 175.77 3ibl s LYS 39 N -2.06 2.51 0.28 0.00 2.20 -0.98 -4.85 119.74 116.83 3ibl s LYS 39 Ca 0.54 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 3ibl s LYS 39 Cb -0.39 -2.21 -0.11 0.00 -1.51 0.00 0.00 37.83 33.61 3ibl s LYS 39 CO 0.52 0.45 1.56 -0.47 -0.36 0.00 0.00 175.35 177.04 3ibl s TYR 40 N -0.32 2.83 -0.31 4.03 6.14 -1.26 -0.50 117.35 127.96 3ibl s TYR 40 Ca 0.01 0.83 0.01 0.00 0.64 0.00 0.00 57.07 58.56 3ibl s TYR 40 Cb -0.13 -4.00 0.07 0.00 0.42 0.00 0.00 41.96 38.32 3ibl s TYR 40 CO 0.02 -3.37 -0.00 0.34 0.64 0.00 0.00 175.55 173.18 3ibl s ASP 41 N 0.49 4.75 0.42 4.32 3.68 -0.30 -4.82 116.67 125.22 3ibl s ASP 41 Ca 0.63 -1.61 0.30 0.00 2.13 0.00 0.00 52.55 53.99 3ibl s ASP 41 Cb -0.46 -1.65 1.33 0.00 -1.45 0.00 0.00 42.92 40.69 3ibl s ASP 41 CO 0.46 -0.30 1.88 1.55 0.13 0.00 0.00 175.17 178.90 3ibl h PRO 42 N 7.83 0.00 0.00 4.34 0.13 -1.93 -2.61 132.00 139.76 3ibl h PRO 42 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3ibl h PRO 42 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3ibl h PRO 42 CO 0.52 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.16 3ibl n SER 43 N -2.64 0.34 -4.72 1.44 3.41 -1.26 -4.79 113.62 105.40 3ibl n SER 43 Ca 0.00 0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 58.74 3ibl n SER 43 Cb 0.21 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 3ibl n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ibl s LEU 44 N -3.67 4.39 0.55 1.04 1.43 -0.99 -4.99 118.68 116.44 3ibl s LEU 44 Ca 0.11 2.28 -0.04 0.00 -1.03 0.00 0.00 54.13 55.45 3ibl s LEU 44 Cb 0.14 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.77 3ibl s LEU 44 CO 0.49 -0.57 0.83 -0.54 0.23 0.00 0.00 176.35 176.79 3ibl s LYS 45 N 0.71 2.97 0.32 1.70 1.02 -0.95 -4.90 119.74 120.61 3ibl s LYS 45 Ca 0.61 -0.14 -0.29 0.00 0.02 0.00 0.00 55.97 56.16 3ibl s LYS 45 Cb -0.35 -2.36 -0.12 0.00 -0.52 0.00 0.00 37.83 34.48 3ibl s LYS 45 CO 0.32 -0.57 1.47 -2.30 -0.92 0.00 0.00 175.35 173.36 3ibl n PRO 46 N -2.43 2.48 -2.66 -1.68 -0.02 -1.26 -1.04 135.00 128.39 3ibl n PRO 46 Ca 0.04 0.88 -0.40 0.00 -2.02 0.00 0.00 63.50 61.99 3ibl n PRO 46 Cb 0.58 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 3ibl n PRO 46 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ibl s LEU 47 N -0.97 4.57 -0.21 2.45 2.96 -1.26 -2.15 118.68 124.07 3ibl s LEU 47 Ca 0.60 1.99 0.01 0.00 -0.22 0.00 0.00 54.13 56.50 3ibl s LEU 47 Cb -0.53 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 42.60 3ibl s LEU 47 CO 0.56 -0.00 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.94 3ibl s SER 48 N -0.67 3.59 -0.37 3.68 0.15 0.59 -4.88 113.70 115.78 3ibl s SER 48 Ca 0.44 -0.99 -0.06 0.00 0.70 0.00 0.00 55.95 56.04 3ibl s SER 48 Cb -0.27 -1.27 0.07 0.00 -1.71 0.00 0.00 66.02 62.84 3ibl s SER 48 CO 0.33 -0.16 0.16 -0.69 1.20 0.00 0.00 173.24 174.08 3ibl s VAL 49 N 1.36 3.73 -0.66 4.45 1.01 -1.26 -1.37 120.40 127.66 3ibl s VAL 49 Ca -0.03 -1.43 -0.02 0.00 0.00 0.00 0.00 61.98 60.50 3ibl s VAL 49 Cb -0.17 -3.26 0.17 0.00 0.00 0.00 0.00 36.38 33.12 3ibl s VAL 49 CO -0.08 -0.38 0.47 -0.44 0.00 0.00 0.00 175.10 174.68 3ibl s SER 50 N 1.71 5.27 -0.05 3.32 0.01 -0.38 -4.88 113.70 118.69 3ibl s SER 50 Ca 0.01 -2.99 0.15 0.00 1.31 0.00 0.00 55.95 54.44 3ibl s SER 50 Cb -0.21 -1.85 0.48 0.00 0.21 0.00 0.00 66.02 64.64 3ibl s SER 50 CO 0.01 -0.34 1.40 -1.22 0.41 0.00 0.00 173.24 173.50 3ibl n TYR 51 N 3.30 0.82 -0.35 2.43 0.53 -1.26 -1.62 117.16 121.01 3ibl n TYR 51 Ca 0.10 -0.59 0.06 0.00 -1.02 0.00 0.00 57.90 56.45 3ibl n TYR 51 Cb 0.37 -0.11 0.23 0.00 -1.03 0.00 0.00 39.34 38.80 3ibl n TYR 51 CO 0.00 0.00 0.00 0.38 -1.02 0.00 0.00 176.86 176.22 3ibl h ASP 52 N 2.73 0.90 -0.59 7.72 2.03 -1.90 -2.23 116.42 125.08 3ibl h ASP 52 Ca 0.00 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 3ibl h ASP 52 Cb 1.03 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.40 3ibl h ASP 52 CO 0.08 0.48 0.00 0.00 -1.03 0.00 0.00 179.24 178.78 3ibl n GLN 53 N -4.63 4.70 -1.71 4.15 1.13 -1.26 -5.00 117.38 114.76 3ibl n GLN 53 Ca 0.18 -3.13 -0.43 0.00 -1.94 0.00 0.00 57.00 51.68 3ibl n GLN 53 Cb 0.34 -2.21 -0.02 0.00 0.11 0.00 0.00 30.24 28.47 3ibl n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ibl n ALA 54 N 0.70 1.80 -3.92 -1.58 0.00 -0.84 -4.53 120.51 112.14 3ibl n ALA 54 Ca 0.28 0.39 -0.30 0.00 0.00 0.00 0.00 53.44 53.80 3ibl n ALA 54 Cb 1.15 -2.36 -0.15 0.00 0.00 0.00 0.00 19.45 18.09 3ibl n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ibl s THR 55 N -0.21 1.93 0.53 0.00 2.01 -1.26 -4.90 115.64 113.75 3ibl s THR 55 Ca 0.64 -2.28 -0.17 0.00 0.31 0.00 0.00 61.69 60.19 3ibl s THR 55 Cb -0.57 -2.41 -0.07 0.00 0.01 0.00 0.00 72.50 69.46 3ibl s THR 55 CO 0.51 -0.67 1.01 -0.94 -0.69 0.00 0.00 174.62 173.85 3ibl s SER 56 N 0.86 6.33 0.00 3.53 1.04 -1.26 -0.60 113.70 123.59 3ibl s SER 56 Ca 0.12 1.71 0.00 0.00 0.48 0.00 0.00 55.95 58.26 3ibl s SER 56 Cb -0.20 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3ibl s SER 56 CO -0.10 -0.79 0.00 0.18 0.98 0.00 0.00 173.24 173.51 3ibl n LEU 57 N -1.58 0.56 -3.62 2.42 4.77 0.71 -3.99 117.00 116.27 3ibl n LEU 57 Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 3ibl n LEU 57 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 3ibl n LEU 57 CO 0.45 -0.02 0.18 -0.60 -1.33 0.00 0.00 177.39 176.07 3ibl s ARG 58 N -1.92 1.08 -0.06 3.23 3.52 -1.22 -1.19 118.95 122.38 3ibl s ARG 58 Ca 0.00 -0.68 0.05 0.00 -0.13 0.00 0.00 55.73 54.98 3ibl s ARG 58 Cb 0.00 0.48 -0.01 0.00 -1.56 0.00 0.00 34.95 33.86 3ibl s ARG 58 CO 0.00 -0.42 -0.22 -1.50 -0.81 0.00 0.00 175.30 172.34 3ibl s ILE 59 N -3.75 1.86 -0.02 4.11 2.07 -0.32 -0.24 121.20 124.92 3ibl s ILE 59 Ca 0.02 -0.95 0.03 0.00 -1.41 0.00 0.00 60.65 58.34 3ibl s ILE 59 Cb 0.02 -1.59 -0.00 0.00 0.13 0.00 0.00 42.46 41.01 3ibl s ILE 59 CO -0.12 0.52 -0.09 -0.22 -1.91 0.00 0.00 174.94 173.13 3ibl s LEU 60 N 0.03 1.86 -0.43 8.50 2.96 0.40 -1.24 118.68 130.77 3ibl s LEU 60 Ca -0.07 -0.17 -0.19 0.00 -0.22 0.00 0.00 54.13 53.47 3ibl s LEU 60 Cb -0.14 -0.51 0.02 0.00 0.50 0.00 0.00 46.19 46.07 3ibl s LEU 60 CO 0.04 0.08 0.53 0.21 -1.32 0.00 0.00 176.35 175.90 3ibl s ASN 61 N 0.06 6.26 -0.10 3.68 3.84 -0.29 -0.19 114.94 128.20 3ibl s ASN 61 Ca -0.01 -0.51 0.16 0.00 0.21 0.00 0.00 52.86 52.71 3ibl s ASN 61 Cb -0.07 -2.27 0.64 0.00 -0.55 0.00 0.00 41.25 39.00 3ibl s ASN 61 CO 0.00 -0.67 1.53 -0.46 -2.79 0.00 0.00 177.10 174.71 3ibl n ASN 62 N 5.91 4.23 0.00 -4.21 0.23 -0.83 -0.49 115.26 120.10 3ibl n ASN 62 Ca -0.05 -2.37 0.00 0.00 -0.53 0.00 0.00 54.58 51.63 3ibl n ASN 62 Cb 0.48 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 3ibl n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ibl n GLY 63 N 1.08 1.01 0.62 4.83 0.00 -1.26 -4.76 105.19 106.71 3ibl n GLY 63 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3ibl n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ibl n HIS 64 N -2.00 0.00 -2.56 1.61 8.25 -1.26 -4.73 115.22 114.52 3ibl n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ibl n HIS 64 Cb 0.00 0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3ibl n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ibl n ALA 65 N -2.45 0.00 -2.69 -1.41 0.00 -1.26 -4.85 120.51 107.84 3ibl n ALA 65 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 3ibl n ALA 65 Cb 0.32 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.61 3ibl n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3ibl s PHE 66 N -5.20 1.76 -0.14 0.00 -0.12 -1.26 -1.97 117.98 111.05 3ibl s PHE 66 Ca 0.00 -0.43 -0.03 0.00 -0.05 0.00 0.00 56.93 56.42 3ibl s PHE 66 Cb 0.00 -1.16 -0.03 0.00 -0.63 0.00 0.00 43.02 41.20 3ibl s PHE 66 CO 0.00 -0.11 -0.04 -0.80 -0.05 0.00 0.00 175.22 174.23 3ibl s ASN 67 N -0.20 4.83 -0.37 1.98 0.02 0.73 -4.27 114.94 117.67 3ibl s ASN 67 Ca 0.01 -0.10 -0.13 0.00 -1.02 0.00 0.00 52.86 51.62 3ibl s ASN 67 Cb -0.10 -1.71 0.00 0.00 0.02 0.00 0.00 41.25 39.47 3ibl s ASN 67 CO 0.01 0.20 0.26 -0.69 0.02 0.00 0.00 177.10 176.90 3ibl s VAL 68 N 0.16 5.20 0.11 1.60 1.01 -0.25 -0.45 120.40 127.78 3ibl s VAL 68 Ca -0.01 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 3ibl s VAL 68 Cb -0.14 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 3ibl s VAL 68 CO 0.03 -0.14 0.45 -1.61 0.00 0.00 0.00 175.10 173.82 3ibl s GLU 69 N 1.69 3.80 0.21 2.72 2.02 0.67 -1.65 118.70 128.16 3ibl s GLU 69 Ca 0.05 0.23 0.11 0.00 0.02 0.00 0.00 54.97 55.38 3ibl s GLU 69 Cb -0.18 -2.93 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 3ibl s GLU 69 CO 0.10 0.51 -0.22 -0.06 0.02 0.00 0.00 175.26 175.61 3ibl s PHE 70 N -1.48 2.20 -0.51 1.61 0.40 -0.31 -0.21 117.98 119.68 3ibl s PHE 70 Ca 0.36 -0.38 -0.29 0.00 -0.60 0.00 0.00 56.93 56.03 3ibl s PHE 70 Cb -0.14 -1.06 0.03 0.00 0.51 0.00 0.00 43.02 42.36 3ibl s PHE 70 CO 0.19 0.51 1.17 0.34 0.70 0.00 0.00 175.22 178.14 3ibl s ASP 71 N -2.86 6.55 -0.37 1.36 -1.08 0.23 -4.84 116.67 115.66 3ibl s ASP 71 Ca 0.22 0.35 0.06 0.00 -0.52 0.00 0.00 52.55 52.66 3ibl s ASP 71 Cb -0.07 -2.55 0.52 0.00 -1.46 0.00 0.00 42.92 39.37 3ibl s ASP 71 CO 0.10 -1.35 1.59 -0.90 0.52 0.00 0.00 175.17 175.13 3ibl n ASP 72 N 8.13 3.66 0.03 -0.34 3.85 -1.26 -4.53 116.55 126.09 3ibl n ASP 72 Ca 0.11 -3.76 0.13 0.00 -0.71 0.00 0.00 54.79 50.55 3ibl n ASP 72 Cb 0.49 -0.68 0.33 0.00 -1.35 0.00 0.00 41.12 39.90 3ibl n ASP 72 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3ibl n SER 73 N -1.06 0.50 -4.04 -1.12 3.41 -1.26 -4.84 113.62 105.21 3ibl n SER 73 Ca 0.43 0.14 -0.11 0.00 -0.26 0.00 0.00 58.87 59.08 3ibl n SER 73 Cb 1.10 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.86 3ibl n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ibl s GLN 74 N -3.07 0.48 -0.76 4.33 -0.21 -1.26 -5.09 119.66 114.08 3ibl s GLN 74 Ca 0.10 -0.80 -0.26 0.00 0.02 0.00 0.00 55.36 54.42 3ibl s GLN 74 Cb 0.16 -0.08 -0.01 0.00 1.00 0.00 0.00 33.01 34.08 3ibl s GLN 74 CO 0.66 -0.01 1.70 -0.51 -2.12 0.00 0.00 175.29 175.00 3ibl s ASP 75 N -1.80 5.60 0.00 5.90 1.01 -1.26 -4.68 116.67 121.44 3ibl s ASP 75 Ca -0.09 -0.32 0.00 0.00 0.71 0.00 0.00 52.55 52.86 3ibl s ASP 75 Cb -0.07 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.31 3ibl s ASP 75 CO -0.02 -2.23 0.00 0.29 0.21 0.00 0.00 175.17 173.42 3ibl n LYS 76 N 9.11 0.00 -2.69 8.23 4.76 -1.26 -4.96 118.16 131.36 3ibl n LYS 76 Ca 0.23 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.24 3ibl n LYS 76 Cb 0.50 -0.02 -0.03 0.00 -1.84 0.00 0.00 35.03 33.64 3ibl n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ibl s ALA 77 N -2.64 3.06 0.12 7.82 0.00 -1.26 -4.56 121.76 124.30 3ibl s ALA 77 Ca 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.00 3ibl s ALA 77 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 3ibl s ALA 77 CO 0.00 -2.55 -0.13 0.14 0.00 0.00 0.00 175.76 173.22 3ibl s VAL 78 N 4.53 1.24 -0.08 0.00 -7.23 -0.64 -0.17 120.40 118.04 3ibl s VAL 78 Ca 0.37 -1.71 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 3ibl s VAL 78 Cb -0.10 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.35 3ibl s VAL 78 CO 0.23 -0.46 -0.19 -0.22 -0.31 0.00 0.00 175.10 174.15 3ibl s LEU 79 N -2.47 1.92 0.33 1.32 2.96 0.84 -1.25 118.68 122.32 3ibl s LEU 79 Ca 0.08 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.49 3ibl s LEU 79 Cb -0.04 -1.17 0.00 0.00 0.50 0.00 0.00 46.19 45.48 3ibl s LEU 79 CO 0.02 0.12 0.48 -1.59 -1.32 0.00 0.00 176.35 174.06 3ibl s LYS 80 N 0.42 1.85 1.57 1.98 -2.85 -0.47 -1.58 119.74 120.66 3ibl s LYS 80 Ca -0.16 -1.66 0.00 0.00 -1.00 0.00 0.00 55.97 53.15 3ibl s LYS 80 Cb -0.17 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 3ibl s LYS 80 CO 0.07 -0.77 0.00 0.41 0.10 0.00 0.00 175.35 175.16 3ibl n GLY 81 N -0.52 -1.70 7.00 0.59 0.00 -1.26 -0.30 105.19 109.00 3ibl n GLY 81 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3ibl n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibl n GLY 82 N 0.00 3.19 0.17 -0.02 0.00 -0.20 -1.30 105.19 107.04 3ibl n GLY 82 Ca 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.96 3ibl n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ibl n PRO 83 N 13.78 0.74 -2.64 1.61 -0.04 -1.26 -2.24 135.00 144.95 3ibl n PRO 83 Ca 0.00 -0.35 -0.40 0.00 -0.04 0.00 0.00 63.50 62.71 3ibl n PRO 83 Cb 0.00 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 3ibl n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ibl s LEU 84 N -2.50 4.61 -0.34 1.53 1.43 -0.42 -5.04 118.68 117.96 3ibl s LEU 84 Ca 0.26 2.08 -0.08 0.00 -1.03 0.00 0.00 54.13 55.36 3ibl s LEU 84 Cb 0.20 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.82 3ibl s LEU 84 CO 0.50 0.03 0.12 -0.62 0.23 0.00 0.00 176.35 176.62 3ibl s ASP 85 N -1.07 5.37 0.00 2.29 -1.08 -1.26 -4.21 116.67 116.71 3ibl s ASP 85 Ca 0.43 -0.99 0.00 0.00 -0.52 0.00 0.00 52.55 51.47 3ibl s ASP 85 Cb -0.28 -1.91 0.00 0.00 -1.46 0.00 0.00 42.92 39.27 3ibl s ASP 85 CO 0.35 -0.30 0.00 0.61 0.52 0.00 0.00 175.17 176.35 3ibl n GLY 86 N 4.87 -1.76 3.42 2.66 0.00 -1.26 -4.95 105.19 108.17 3ibl n GLY 86 Ca -0.13 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 3ibl n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ibl s THR 87 N 0.00 3.17 -0.14 2.61 2.01 -1.26 -4.46 115.64 117.56 3ibl s THR 87 Ca 0.00 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.37 3ibl s THR 87 Cb 0.00 -2.32 -0.00 0.00 0.01 0.00 0.00 72.50 70.19 3ibl s THR 87 CO 0.00 0.54 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.00 3ibl s TYR 88 N 0.05 2.75 -0.14 4.92 2.02 -0.62 -1.18 117.35 125.16 3ibl s TYR 88 Ca -0.04 -0.96 -0.12 0.00 -0.37 0.00 0.00 57.07 55.57 3ibl s TYR 88 Cb -0.14 -1.85 -0.05 0.00 -0.40 0.00 0.00 41.96 39.52 3ibl s TYR 88 CO 0.04 -0.41 0.26 0.50 -1.57 0.00 0.00 175.55 174.37 3ibl s ARG 89 N 0.64 4.09 0.11 -0.62 3.52 0.15 -0.11 118.95 126.73 3ibl s ARG 89 Ca -0.09 0.06 -0.31 0.00 -0.13 0.00 0.00 55.73 55.26 3ibl s ARG 89 Cb -0.16 -3.37 -0.08 0.00 -1.56 0.00 0.00 34.95 29.78 3ibl s ARG 89 CO 0.02 0.38 1.43 -1.17 -0.81 0.00 0.00 175.30 175.15 3ibl s LEU 90 N 0.06 4.37 -0.05 -0.88 2.96 0.76 -1.35 118.68 124.54 3ibl s LEU 90 Ca 0.16 2.35 0.03 0.00 -0.22 0.00 0.00 54.13 56.46 3ibl s LEU 90 Cb -0.13 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 3ibl s LEU 90 CO 0.04 -0.69 -0.01 0.00 -1.32 0.00 0.00 176.35 174.38 3ibl n ILE 91 N 4.04 0.36 -3.59 6.68 3.06 -0.13 -4.56 119.36 125.21 3ibl n ILE 91 Ca 0.12 -0.19 -0.04 0.00 -2.50 0.00 0.00 62.75 60.14 3ibl n ILE 91 Cb 0.42 -0.82 -0.02 0.00 0.54 0.00 0.00 39.64 39.76 3ibl n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ibl s GLN 92 N -2.12 0.52 0.06 9.51 1.03 -1.22 -1.16 119.66 126.28 3ibl s GLN 92 Ca -0.04 -0.23 0.01 0.00 0.04 0.00 0.00 55.36 55.14 3ibl s GLN 92 Cb 0.02 0.22 -0.03 0.00 0.03 0.00 0.00 33.01 33.24 3ibl s GLN 92 CO 0.19 -0.23 -0.06 -0.59 -2.54 0.00 0.00 175.29 172.06 3ibl s PHE 93 N -2.66 0.69 0.34 9.60 -0.12 -0.66 -0.63 117.98 124.54 3ibl s PHE 93 Ca 0.10 -0.76 -0.15 0.00 -0.05 0.00 0.00 56.93 56.07 3ibl s PHE 93 Cb 0.00 -0.42 0.03 0.00 -0.63 0.00 0.00 43.02 42.00 3ibl s PHE 93 CO -0.05 -0.17 0.69 -3.38 -0.05 0.00 0.00 175.22 172.26 3ibl s HIS 94 N -2.68 0.20 0.30 3.49 -3.43 -0.67 -1.09 115.29 111.40 3ibl s HIS 94 Ca 0.01 -0.72 0.05 0.00 -0.80 0.00 0.00 55.06 53.60 3ibl s HIS 94 Cb -0.01 0.60 -0.06 0.00 -1.43 0.00 0.00 32.58 31.68 3ibl s HIS 94 CO -0.03 -1.36 0.01 -0.06 -2.00 0.00 0.00 174.74 171.30 3ibl s PHE 95 N -3.05 1.91 -0.04 0.38 0.40 -1.26 -0.54 117.98 115.78 3ibl s PHE 95 Ca 0.17 -0.85 0.02 0.00 -0.60 0.00 0.00 56.93 55.67 3ibl s PHE 95 Cb -0.04 -1.18 0.01 0.00 0.51 0.00 0.00 43.02 42.32 3ibl s PHE 95 CO 0.11 0.11 -0.09 -1.01 0.70 0.00 0.00 175.22 175.05 3ibl s HIS 96 N -3.20 1.03 0.20 0.36 3.76 -0.38 -4.75 115.29 112.32 3ibl s HIS 96 Ca 0.33 -0.30 -0.08 0.00 -0.15 0.00 0.00 55.06 54.85 3ibl s HIS 96 Cb 0.07 -0.78 -0.02 0.00 1.11 0.00 0.00 32.58 32.96 3ibl s HIS 96 CO 0.13 -0.17 0.30 1.67 -0.85 0.00 0.00 174.74 175.83 3ibl s TRP 97 N 0.49 0.63 0.47 1.40 -2.14 -1.22 -0.76 118.94 117.81 3ibl s TRP 97 Ca -0.08 -0.95 0.06 0.00 2.66 0.00 0.00 56.10 57.79 3ibl s TRP 97 Cb -0.12 -0.13 0.06 0.00 -3.10 0.00 0.00 33.47 30.18 3ibl s TRP 97 CO 0.01 -0.79 0.50 0.41 -2.66 0.00 0.00 176.95 174.42 3ibl n GLY 98 N -0.29 2.39 0.09 3.67 0.00 -1.15 -0.49 105.19 109.40 3ibl n GLY 98 Ca -0.02 -2.25 0.12 0.00 0.00 0.00 0.00 46.02 43.87 3ibl n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ibl h SER 99 N 0.32 0.00 -4.77 1.61 4.64 -1.89 -3.37 113.55 110.09 3ibl h SER 99 Ca -0.26 -0.15 -0.21 0.00 -0.47 0.00 0.00 61.79 60.70 3ibl h SER 99 Cb 1.05 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.98 3ibl h SER 99 CO 0.39 0.07 -0.70 -0.76 -0.87 0.00 0.00 176.83 174.96 3ibl s LEU 100 N -4.66 2.44 0.59 5.97 1.43 -1.26 -5.05 118.68 118.15 3ibl s LEU 100 Ca 0.04 -0.89 0.35 0.00 -1.03 0.00 0.00 54.13 52.60 3ibl s LEU 100 Cb 0.12 -0.03 1.86 0.00 0.03 0.00 0.00 46.19 48.17 3ibl s LEU 100 CO 0.75 -0.43 2.20 0.44 0.23 0.00 0.00 176.35 179.54 3ibl h ASP 101 N 3.39 0.00 0.00 2.29 3.45 -1.91 -2.84 116.42 120.79 3ibl h ASP 101 Ca -0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.11 3ibl h ASP 101 Cb 1.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 3ibl h ASP 101 CO 0.59 0.04 0.00 0.61 -1.57 0.00 0.00 179.24 178.91 3ibl n GLY 102 N -0.81 -0.82 3.52 2.75 0.00 -1.26 -3.42 105.19 105.15 3ibl n GLY 102 Ca -0.02 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3ibl n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ibl s GLN 103 N -2.00 1.37 0.00 1.61 -2.07 -1.07 -4.70 119.66 112.80 3ibl s GLN 103 Ca 0.37 -0.86 0.00 0.00 -1.82 0.00 0.00 55.36 53.05 3ibl s GLN 103 Cb 0.17 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.61 3ibl s GLN 103 CO 0.28 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 174.08 3ibl n GLY 104 N -0.34 2.45 3.82 2.60 0.00 -1.04 -2.92 105.19 109.77 3ibl n GLY 104 Ca -0.10 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 3ibl n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ibl s SER 105 N 0.00 5.65 -0.20 1.61 1.04 -0.51 -3.41 113.70 117.88 3ibl s SER 105 Ca 0.00 1.64 -0.15 0.00 0.48 0.00 0.00 55.95 57.91 3ibl s SER 105 Cb 0.00 -2.50 -0.10 0.00 0.10 0.00 0.00 66.02 63.52 3ibl s SER 105 CO 0.00 -1.26 -0.18 -0.62 0.98 0.00 0.00 173.24 172.16 3ibl n GLU 106 N -2.73 0.53 -2.24 4.02 1.02 -1.26 -4.83 120.64 115.14 3ibl n GLU 106 Ca 0.08 0.39 -0.33 0.00 -0.02 0.00 0.00 57.16 57.28 3ibl n GLU 106 Cb 0.53 -1.59 -0.01 0.00 -0.02 0.00 0.00 31.44 30.36 3ibl n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3ibl s HIS 107 N -2.51 3.02 0.16 -0.32 3.76 -1.26 -4.23 115.29 113.90 3ibl s HIS 107 Ca -0.27 1.53 0.06 0.00 -0.15 0.00 0.00 55.06 56.23 3ibl s HIS 107 Cb 0.06 -3.01 -0.04 0.00 1.11 0.00 0.00 32.58 30.70 3ibl s HIS 107 CO 0.42 -0.97 -0.14 0.95 -0.85 0.00 0.00 174.74 174.16 3ibl s THR 108 N -2.30 1.47 -0.24 1.30 -4.23 -1.19 -4.70 115.64 105.75 3ibl s THR 108 Ca 0.65 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.22 3ibl s THR 108 Cb -0.16 -1.78 0.05 0.00 1.34 0.00 0.00 72.50 71.95 3ibl s THR 108 CO 0.31 -0.53 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.04 3ibl s VAL 109 N -2.64 2.23 -1.48 2.29 1.01 -0.69 -0.06 120.40 121.05 3ibl s VAL 109 Ca 0.15 -1.41 -0.10 0.00 0.00 0.00 0.00 61.98 60.62 3ibl s VAL 109 Cb -0.02 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 34.21 3ibl s VAL 109 CO 0.04 0.12 0.84 0.47 0.00 0.00 0.00 175.10 176.57 3ibl n ASP 110 N 4.50 -3.32 0.00 3.32 10.43 -0.22 -0.35 116.55 130.91 3ibl n ASP 110 Ca -0.16 -0.83 0.00 0.00 2.57 0.00 0.00 54.79 56.37 3ibl n ASP 110 Cb 0.44 -3.74 0.00 0.00 1.84 0.00 0.00 41.12 39.66 3ibl n ASP 110 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3ibl n LYS 111 N -4.53 0.00 -2.51 -1.24 4.76 -1.26 -4.99 118.16 108.40 3ibl n LYS 111 Ca -0.07 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.95 3ibl n LYS 111 Cb 0.58 -3.24 -0.03 0.00 -1.84 0.00 0.00 35.03 30.49 3ibl n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3ibl s LYS 112 N -0.37 4.52 -0.17 1.97 2.20 0.53 -4.99 119.74 123.43 3ibl s LYS 112 Ca 0.00 1.69 -0.07 0.00 -0.36 0.00 0.00 55.97 57.23 3ibl s LYS 112 Cb 0.00 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 3ibl s LYS 112 CO 0.00 -0.08 0.06 0.15 -0.36 0.00 0.00 175.35 175.13 3ibl s LYS 113 N 0.41 3.91 0.57 4.03 1.02 -1.26 -1.70 119.74 126.71 3ibl s LYS 113 Ca 0.53 -0.34 -0.01 0.00 0.02 0.00 0.00 55.97 56.18 3ibl s LYS 113 Cb -0.28 -3.19 0.03 0.00 -0.52 0.00 0.00 37.83 33.87 3ibl s LYS 113 CO 0.32 0.32 0.81 0.71 -0.92 0.00 0.00 175.35 176.58 3ibl s TYR 114 N 0.24 2.96 0.40 3.18 1.51 -1.26 -4.58 117.35 119.80 3ibl s TYR 114 Ca 0.04 0.16 0.19 0.00 -1.01 0.00 0.00 57.07 56.45 3ibl s TYR 114 Cb -0.12 -2.76 1.06 0.00 -0.11 0.00 0.00 41.96 40.03 3ibl s TYR 114 CO 0.00 -0.88 1.96 0.00 -1.11 0.00 0.00 175.55 175.52 3ibl h ALA 115 N -0.02 1.43 -2.48 3.71 0.00 -1.43 -1.28 119.26 119.19 3ibl h ALA 115 Ca -0.43 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.43 3ibl h ALA 115 Cb 1.29 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 3ibl h ALA 115 CO 0.55 0.28 0.48 0.00 0.00 0.00 0.00 179.25 180.56 3ibl s ALA 116 N -4.30 -1.54 -0.10 0.00 0.00 -1.12 -2.93 121.76 111.78 3ibl s ALA 116 Ca -0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 3ibl s ALA 116 Cb 0.14 0.68 0.05 0.00 0.00 0.00 0.00 23.12 23.99 3ibl s ALA 116 CO 0.66 -1.05 0.24 -2.00 0.00 0.00 0.00 175.76 173.61 3ibl s GLU 117 N -2.96 0.19 -0.12 0.00 2.12 0.06 -1.10 118.70 116.90 3ibl s GLU 117 Ca 0.15 0.52 -0.14 0.00 0.36 0.00 0.00 54.97 55.86 3ibl s GLU 117 Cb -0.02 -0.13 -0.05 0.00 0.26 0.00 0.00 34.13 34.19 3ibl s GLU 117 CO 0.04 -0.17 0.33 -1.17 -0.54 0.00 0.00 175.26 173.75 3ibl s LEU 118 N 1.32 4.31 -0.20 2.70 2.96 0.13 -1.25 118.68 128.64 3ibl s LEU 118 Ca -0.09 0.65 0.02 0.00 -0.22 0.00 0.00 54.13 54.48 3ibl s LEU 118 Cb -0.11 -2.44 0.03 0.00 0.50 0.00 0.00 46.19 44.18 3ibl s LEU 118 CO -0.08 0.16 -0.16 -1.00 -1.32 0.00 0.00 176.35 173.94 3ibl s HIS 119 N 0.05 2.86 -0.37 5.38 3.76 0.29 -0.75 115.29 126.52 3ibl s HIS 119 Ca 0.19 -1.82 -0.11 0.00 -0.15 0.00 0.00 55.06 53.17 3ibl s HIS 119 Cb -0.14 -1.88 0.02 0.00 1.11 0.00 0.00 32.58 31.69 3ibl s HIS 119 CO 0.07 -0.82 0.21 -0.51 -0.85 0.00 0.00 174.74 172.85 3ibl s LEU 120 N 1.26 4.67 -0.13 0.89 1.43 -0.41 -1.66 118.68 124.72 3ibl s LEU 120 Ca 0.00 -0.87 -0.19 0.00 -1.03 0.00 0.00 54.13 52.05 3ibl s LEU 120 Cb -0.15 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 3ibl s LEU 120 CO -0.10 -0.36 0.50 -0.69 0.23 0.00 0.00 176.35 175.93 3ibl s VAL 121 N 1.59 5.17 0.05 -1.59 1.01 0.20 -1.27 120.40 125.57 3ibl s VAL 121 Ca 0.03 0.99 0.05 0.00 0.00 0.00 0.00 61.98 63.05 3ibl s VAL 121 Cb -0.19 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3ibl s VAL 121 CO 0.07 0.30 -0.13 -1.00 0.00 0.00 0.00 175.10 174.34 3ibl s HIS 122 N 0.78 1.17 0.05 5.22 3.76 -0.15 -0.96 115.29 125.16 3ibl s HIS 122 Ca 0.26 -0.41 0.09 0.00 -0.15 0.00 0.00 55.06 54.85 3ibl s HIS 122 Cb -0.15 -0.67 -0.03 0.00 1.11 0.00 0.00 32.58 32.83 3ibl s HIS 122 CO 0.11 0.04 -0.24 1.67 -0.85 0.00 0.00 174.74 175.47 3ibl s TRP 123 N -1.09 2.40 -0.18 1.40 1.48 -0.46 -1.09 118.94 121.41 3ibl s TRP 123 Ca -0.01 -0.36 -0.29 0.00 -1.06 0.00 0.00 56.10 54.38 3ibl s TRP 123 Cb -0.09 -1.40 -0.04 0.00 -1.16 0.00 0.00 33.47 30.78 3ibl s TRP 123 CO 0.02 0.19 1.73 1.21 -4.06 0.00 0.00 176.95 176.03 3ibl s ASN 124 N -1.38 6.30 0.53 -2.66 3.84 0.73 -0.67 114.94 121.63 3ibl s ASN 124 Ca 0.13 1.81 0.36 0.00 0.21 0.00 0.00 52.86 55.37 3ibl s ASN 124 Cb -0.10 -2.53 1.86 0.00 -0.55 0.00 0.00 41.25 39.92 3ibl s ASN 124 CO 0.03 -1.29 2.09 0.71 -2.79 0.00 0.00 177.10 175.85 3ibl h THR 125 N 6.16 0.00 0.00 -5.21 1.35 -1.49 -2.16 112.91 111.56 3ibl h THR 125 Ca -0.37 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3ibl h THR 125 Cb 1.17 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3ibl h THR 125 CO 0.99 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.33 3ibl h LYS 127 N 0.00 0.00 -0.38 4.72 2.10 -1.90 -2.34 116.57 118.77 3ibl h LYS 127 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3ibl h LYS 127 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 3ibl h LYS 127 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 3ibl n TYR 128 N -2.51 0.49 0.00 0.07 0.53 -0.81 -5.00 117.16 109.93 3ibl n TYR 128 Ca -0.00 -0.24 0.00 0.00 -1.02 0.00 0.00 57.90 56.63 3ibl n TYR 128 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.45 3ibl n TYR 128 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3ibl n GLY 129 N 1.45 1.52 3.33 2.72 0.00 -0.88 -4.48 105.19 108.84 3ibl n GLY 129 Ca 0.19 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 3ibl n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ibl s ASP 130 N 0.00 0.06 0.24 1.61 1.47 -1.26 -5.03 116.67 113.76 3ibl s ASP 130 Ca 0.00 -0.91 -0.06 0.00 1.18 0.00 0.00 52.55 52.76 3ibl s ASP 130 Cb 0.00 0.43 0.29 0.00 -0.34 0.00 0.00 42.92 43.30 3ibl s ASP 130 CO 0.00 -0.89 1.88 0.15 0.68 0.00 0.00 175.17 176.99 3ibl h PHE 131 N 2.56 1.06 -0.76 2.11 3.04 -1.94 -1.13 116.94 121.87 3ibl h PHE 131 Ca -0.32 0.03 0.05 0.00 3.98 0.00 0.00 57.97 61.71 3ibl h PHE 131 Cb 1.23 -0.35 -0.06 0.00 2.56 0.00 0.00 35.95 39.33 3ibl h PHE 131 CO 0.40 0.59 0.46 0.78 -2.02 0.00 0.00 178.31 178.52 3ibl h GLY 132 N 1.08 1.13 1.61 2.40 0.00 -1.96 -1.85 103.07 105.48 3ibl h GLY 132 Ca 0.36 -0.33 -0.19 0.00 0.00 0.00 0.00 47.33 47.16 3ibl h GLY 132 CO -0.13 0.23 -0.80 0.50 0.00 0.00 0.00 176.54 176.35 3ibl h LYS 133 N 0.85 0.37 -0.70 4.80 1.79 -1.74 -3.23 116.57 118.71 3ibl h LYS 133 Ca 0.33 -0.33 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3ibl h LYS 133 Cb 0.15 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.84 3ibl h LYS 133 CO -0.16 0.99 0.41 0.00 -1.08 0.00 0.00 179.45 179.61 3ibl h ALA 134 N 0.91 1.40 0.00 3.86 0.00 -0.55 -2.09 119.26 122.79 3ibl h ALA 134 Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ibl h ALA 134 Cb 1.39 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3ibl h ALA 134 CO 0.13 0.51 0.00 1.33 0.00 0.00 0.00 179.25 181.22 3ibl n VAL 135 N -4.39 0.00 -0.30 0.00 0.24 -0.76 -1.69 118.33 111.43 3ibl n VAL 135 Ca 0.07 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.40 3ibl n VAL 135 Cb 0.08 -0.38 0.03 0.00 -1.47 0.00 0.00 33.84 32.10 3ibl n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ibl n GLN 136 N -0.05 2.49 -4.54 7.34 6.02 -0.79 -4.93 117.38 122.92 3ibl n GLN 136 Ca 0.00 -1.74 -0.25 0.00 -0.01 0.00 0.00 57.00 55.00 3ibl n GLN 136 Cb 0.19 -1.11 -0.14 0.00 1.02 0.00 0.00 30.24 30.20 3ibl n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3ibl s GLN 137 N -1.43 1.33 0.56 -1.09 -1.52 -0.68 -5.03 119.66 111.80 3ibl s GLN 137 Ca 0.08 -1.03 0.33 0.00 -1.95 0.00 0.00 55.36 52.78 3ibl s GLN 137 Cb 0.07 -1.51 1.62 0.00 -0.22 0.00 0.00 33.01 32.96 3ibl s GLN 137 CO 0.01 0.38 2.10 -1.00 -0.25 0.00 0.00 175.29 176.53 3ibl h PRO 138 N 4.59 0.00 -0.41 2.91 0.13 -1.85 -2.74 132.00 134.63 3ibl h PRO 138 Ca -0.44 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.38 3ibl h PRO 138 Cb 1.17 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.01 3ibl h PRO 138 CO 0.42 0.07 -0.77 -0.40 -0.23 0.00 0.00 178.00 177.09 3ibl n ASP 139 N -3.37 3.18 0.12 1.44 3.85 -1.26 -4.32 116.55 116.20 3ibl n ASP 139 Ca -0.01 -3.45 -0.01 0.00 -0.71 0.00 0.00 54.79 50.61 3ibl n ASP 139 Cb 0.23 -0.41 0.08 0.00 -1.35 0.00 0.00 41.12 39.66 3ibl n ASP 139 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3ibl h GLY 140 N 1.76 0.00 -2.80 6.12 0.00 -1.27 -3.43 103.07 103.45 3ibl h GLY 140 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 47.06 3ibl h GLY 140 CO 0.39 0.00 -0.73 1.08 0.00 0.00 0.00 176.54 177.28 3ibl s LEU 141 N -6.93 2.52 -0.04 3.11 1.43 0.38 -0.20 118.68 118.96 3ibl s LEU 141 Ca 0.01 -0.98 -0.01 0.00 -1.03 0.00 0.00 54.13 52.11 3ibl s LEU 141 Cb 0.10 -0.57 0.03 0.00 0.03 0.00 0.00 46.19 45.78 3ibl s LEU 141 CO 0.76 -0.20 0.05 0.00 0.23 0.00 0.00 176.35 177.18 3ibl s ALA 142 N -2.91 0.23 -0.14 4.21 0.00 -0.25 -0.85 121.76 122.04 3ibl s ALA 142 Ca 0.19 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.35 3ibl s ALA 142 Cb -0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 3ibl s ALA 142 CO 0.05 -0.39 -0.15 0.08 0.00 0.00 0.00 175.76 175.34 3ibl s VAL 143 N 1.89 2.72 -0.33 0.00 1.01 -0.99 -0.98 120.40 123.73 3ibl s VAL 143 Ca 0.02 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 3ibl s VAL 143 Cb -0.12 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 3ibl s VAL 143 CO -0.03 0.52 0.40 -0.22 0.00 0.00 0.00 175.10 175.77 3ibl s LEU 144 N 0.62 4.31 -0.14 3.92 2.96 -0.40 -1.62 118.68 128.34 3ibl s LEU 144 Ca -0.09 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 3ibl s LEU 144 Cb -0.16 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 3ibl s LEU 144 CO 0.03 -0.33 0.07 -0.83 -1.32 0.00 0.00 176.35 173.96 3ibl s GLY 145 N 1.72 1.96 -0.06 7.98 0.00 0.89 -1.29 107.32 118.52 3ibl s GLY 145 Ca 0.14 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.14 3ibl s GLY 145 CO 0.12 -0.25 -0.07 -0.42 0.00 0.00 0.00 173.10 172.48 3ibl s ILE 146 N -0.40 0.76 0.39 0.90 1.01 0.07 -0.90 121.20 123.03 3ibl s ILE 146 Ca 0.09 -0.22 -0.23 0.00 0.00 0.00 0.00 60.65 60.29 3ibl s ILE 146 Cb -0.12 -0.77 -0.11 0.00 0.01 0.00 0.00 42.46 41.48 3ibl s ILE 146 CO 0.02 0.29 0.95 -0.36 0.00 0.00 0.00 174.94 175.83 3ibl s PHE 147 N 1.07 3.47 -0.09 3.97 0.08 -1.26 0.19 117.98 125.40 3ibl s PHE 147 Ca -0.08 1.68 0.04 0.00 0.12 0.00 0.00 56.93 58.69 3ibl s PHE 147 Cb -0.14 -2.88 -0.00 0.00 -0.57 0.00 0.00 43.02 39.42 3ibl s PHE 147 CO -0.01 0.02 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.39 3ibl s LEU 148 N -2.72 2.16 0.20 -0.37 1.02 -0.26 -0.52 118.68 118.20 3ibl s LEU 148 Ca 0.57 -0.52 0.11 0.00 0.02 0.00 0.00 54.13 54.31 3ibl s LEU 148 Cb -0.13 -1.42 -0.04 0.00 0.02 0.00 0.00 46.19 44.61 3ibl s LEU 148 CO 0.17 0.19 -0.22 -1.59 0.02 0.00 0.00 176.35 174.92 3ibl s LYS 149 N 0.19 1.48 -0.21 1.70 -2.85 -0.40 -2.03 119.74 117.61 3ibl s LYS 149 Ca -0.14 -1.54 -0.19 0.00 -1.00 0.00 0.00 55.97 53.10 3ibl s LYS 149 Cb -0.17 -1.68 -0.03 0.00 -2.06 0.00 0.00 37.83 33.90 3ibl s LYS 149 CO 0.07 0.35 0.56 0.08 0.10 0.00 0.00 175.35 176.51 3ibl s VAL 150 N -1.95 5.06 0.00 1.79 1.01 -1.26 -1.04 120.40 124.01 3ibl s VAL 150 Ca 0.21 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.22 3ibl s VAL 150 Cb -0.07 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3ibl s VAL 150 CO 0.10 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.94 3ibl n GLY 151 N 3.96 0.57 3.79 4.51 0.00 0.49 -4.91 105.19 113.61 3ibl n GLY 151 Ca -0.03 0.47 -0.35 0.00 0.00 0.00 0.00 46.02 46.11 3ibl n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ibl s SER 152 N 2.00 6.26 0.68 1.61 1.04 -1.26 -3.98 113.70 120.05 3ibl s SER 152 Ca 0.00 2.00 -0.15 0.00 0.48 0.00 0.00 55.95 58.27 3ibl s SER 152 Cb 0.00 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.56 3ibl s SER 152 CO 0.00 -0.84 1.16 0.00 0.98 0.00 0.00 173.24 174.54 3ibl s ALA 153 N -1.90 2.33 -0.45 5.32 0.00 -1.26 -2.28 121.76 123.51 3ibl s ALA 153 Ca 0.67 0.73 -0.10 0.00 0.00 0.00 0.00 51.96 53.26 3ibl s ALA 153 Cb -0.19 -3.39 0.10 0.00 0.00 0.00 0.00 23.12 19.64 3ibl s ALA 153 CO 0.22 -1.51 0.32 0.21 0.00 0.00 0.00 175.76 175.01 3ibl s LYS 154 N -3.92 2.63 0.26 0.00 2.47 -1.20 -4.77 119.74 115.20 3ibl s LYS 154 Ca 0.71 -1.58 -0.03 0.00 -1.56 0.00 0.00 55.97 53.51 3ibl s LYS 154 Cb -0.25 -3.91 0.52 0.00 -1.46 0.00 0.00 37.83 32.73 3ibl s LYS 154 CO 0.42 -1.08 1.68 -1.35 0.16 0.00 0.00 175.35 175.18 3ibl h PRO 155 N 8.50 0.26 0.00 4.03 0.11 -1.90 -0.77 132.00 142.23 3ibl h PRO 155 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3ibl h PRO 155 Cb 1.08 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3ibl h PRO 155 CO 0.83 0.17 0.00 0.41 -0.21 0.00 0.00 178.00 179.20 3ibl n GLY 156 N -1.36 -0.88 0.07 -0.55 0.00 -1.26 -2.46 105.19 98.74 3ibl n GLY 156 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 3ibl n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ibl n LEU 157 N -1.66 0.44 -0.35 0.99 7.94 -0.30 -4.49 117.00 119.58 3ibl n LEU 157 Ca 0.02 0.17 0.10 0.00 -1.11 0.00 0.00 56.01 55.19 3ibl n LEU 157 Cb 0.12 -0.02 0.29 0.00 0.53 0.00 0.00 43.42 44.34 3ibl n LEU 157 CO 0.10 -0.08 1.22 -0.61 -1.11 0.00 0.00 177.39 176.91 3ibl h GLN 158 N 0.00 0.84 -0.09 1.96 5.75 -1.47 -0.19 115.11 121.91 3ibl h GLN 158 Ca -0.02 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 3ibl h GLN 158 Cb 1.05 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 3ibl h GLN 158 CO 0.00 0.56 -0.04 0.87 -2.65 0.00 0.00 178.83 177.57 3ibl h LYS 159 N 0.87 0.13 -0.09 1.69 1.57 -1.79 0.38 116.57 119.33 3ibl h LYS 159 Ca 0.53 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.22 3ibl h LYS 159 Cb 0.69 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3ibl h LYS 159 CO -0.31 0.19 -0.21 0.28 -0.57 0.00 0.00 179.45 178.83 3ibl h VAL 160 N 0.13 1.40 -0.62 0.50 2.07 -1.34 -3.20 116.25 115.18 3ibl h VAL 160 Ca 0.03 -1.52 0.03 0.00 0.82 0.00 0.00 66.70 66.07 3ibl h VAL 160 Cb 0.16 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 3ibl h VAL 160 CO 0.01 0.44 0.37 0.58 0.02 0.00 0.00 177.57 178.98 3ibl h VAL 161 N -0.15 1.05 0.00 2.57 2.07 -0.66 -2.69 116.25 118.44 3ibl h VAL 161 Ca 0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3ibl h VAL 161 Cb 0.81 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3ibl h VAL 161 CO 0.05 0.13 0.00 0.47 0.02 0.00 0.00 177.57 178.24 3ibl n ASP 162 N -4.75 0.00 -0.00 0.57 8.00 0.05 -2.55 116.55 117.87 3ibl n ASP 162 Ca 0.06 0.47 0.09 0.00 0.71 0.00 0.00 54.79 56.13 3ibl n ASP 162 Cb 0.10 -0.49 -0.12 0.00 -0.02 0.00 0.00 41.12 40.60 3ibl n ASP 162 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3ibl n VAL 163 N -1.49 0.00 0.24 2.53 3.14 -1.02 -4.41 118.33 117.32 3ibl n VAL 163 Ca 0.04 -0.06 0.10 0.00 -2.96 0.00 0.00 64.34 61.47 3ibl n VAL 163 Cb 0.19 0.93 0.69 0.00 -1.06 0.00 0.00 33.84 34.58 3ibl n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3ibl h LEU 164 N 0.00 0.00 -2.09 6.55 3.38 -1.42 -1.48 115.31 120.24 3ibl h LEU 164 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3ibl h LEU 164 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3ibl h LEU 164 CO 0.00 0.00 -0.08 0.44 0.09 0.00 0.00 178.44 178.89 3ibl h ASP 165 N 0.00 0.00 0.37 -0.43 3.32 -1.78 -2.01 116.42 115.90 3ibl h ASP 165 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3ibl h ASP 165 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3ibl h ASP 165 CO -0.00 0.08 -0.23 -1.54 -1.72 0.00 0.00 179.24 175.83 3ibl n SER 166 N -3.74 0.67 -2.58 6.45 3.41 -0.56 -3.96 113.62 113.32 3ibl n SER 166 Ca -0.02 -0.58 -0.11 0.00 -0.26 0.00 0.00 58.87 57.90 3ibl n SER 166 Cb 0.18 0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.21 3ibl n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3ibl n ILE 167 N -0.96 1.61 -0.33 -1.33 -5.35 -0.77 -4.70 119.36 107.53 3ibl n ILE 167 Ca 0.11 -3.48 0.01 0.00 -0.27 0.00 0.00 62.75 59.13 3ibl n ILE 167 Cb 0.32 0.32 0.15 0.00 -1.74 0.00 0.00 39.64 38.68 3ibl n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3ibl h LYS 168 N 2.60 1.01 -6.19 6.28 3.64 -1.64 -3.42 116.57 118.84 3ibl h LYS 168 Ca 0.03 -0.06 -0.53 0.00 -1.27 0.00 0.00 60.65 58.82 3ibl h LYS 168 Cb 1.27 -0.23 -0.07 0.00 -0.41 0.00 0.00 32.23 32.79 3ibl h LYS 168 CO 0.46 0.67 -0.58 0.95 -2.27 0.00 0.00 179.45 178.68 3ibl s THR 169 N -6.06 3.87 0.13 1.00 -4.23 -1.26 -0.21 115.64 108.88 3ibl s THR 169 Ca -0.13 -1.66 -0.35 0.00 -1.18 0.00 0.00 61.69 58.38 3ibl s THR 169 Cb 0.19 -3.11 -0.15 0.00 1.34 0.00 0.00 72.50 70.76 3ibl s THR 169 CO 0.80 -0.35 1.45 1.17 -0.54 0.00 0.00 174.62 177.15 3ibl n LYS 170 N -1.05 1.67 0.00 3.99 4.81 0.01 -1.89 118.16 125.70 3ibl n LYS 170 Ca -0.07 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 3ibl n LYS 170 Cb 0.59 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.34 3ibl n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ibl n GLY 171 N 2.90 3.39 3.76 3.14 0.00 0.36 -4.46 105.19 114.28 3ibl n GLY 171 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3ibl n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ibl s LYS 172 N -0.84 4.68 0.09 1.61 1.02 -0.79 -4.86 119.74 120.64 3ibl s LYS 172 Ca 0.00 1.58 -0.00 0.00 0.02 0.00 0.00 55.97 57.56 3ibl s LYS 172 Cb 0.00 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 3ibl s LYS 172 CO 0.00 0.31 -0.00 -1.54 -0.92 0.00 0.00 175.35 173.20 3ibl s SER 173 N -1.17 0.56 -0.06 2.83 1.04 -1.26 -1.14 113.70 114.50 3ibl s SER 173 Ca 0.45 -1.08 -0.13 0.00 0.48 0.00 0.00 55.95 55.67 3ibl s SER 173 Cb -0.27 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.09 3ibl s SER 173 CO 0.34 -0.63 0.31 0.00 0.98 0.00 0.00 173.24 174.24 3ibl s ALA 174 N -3.91 -0.76 0.38 5.32 0.00 -0.37 -4.92 121.76 117.50 3ibl s ALA 174 Ca 0.14 0.53 -0.27 0.00 0.00 0.00 0.00 51.96 52.36 3ibl s ALA 174 Cb 0.07 -0.16 -0.11 0.00 0.00 0.00 0.00 23.12 22.92 3ibl s ALA 174 CO -0.04 -0.22 1.37 -0.25 0.00 0.00 0.00 175.76 176.62 3ibl n ASP 175 N 1.93 3.15 -2.98 0.00 8.00 -1.26 -1.18 116.55 124.20 3ibl n ASP 175 Ca -0.18 1.18 -0.16 0.00 0.71 0.00 0.00 54.79 56.34 3ibl n ASP 175 Cb 0.57 -1.55 -0.00 0.00 -0.02 0.00 0.00 41.12 40.11 3ibl n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3ibl n PHE 176 N 0.19 -1.64 -2.91 1.24 7.35 -0.33 -4.71 117.46 116.64 3ibl n PHE 176 Ca 0.04 -2.79 -0.25 0.00 -0.76 0.00 0.00 57.45 53.69 3ibl n PHE 176 Cb 0.38 0.56 0.01 0.00 0.35 0.00 0.00 39.48 40.78 3ibl n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3ibl s THR 177 N -0.53 4.45 -1.81 -2.13 -4.23 -1.25 -3.06 115.64 107.08 3ibl s THR 177 Ca 0.33 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 3ibl s THR 177 Cb 0.23 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.41 3ibl s THR 177 CO -0.15 -0.54 0.00 0.59 -0.54 0.00 0.00 174.62 173.99 3ibl n ASN 178 N -2.12 -5.84 -4.71 3.99 4.13 -1.26 -4.95 115.26 104.50 3ibl n ASN 178 Ca 0.00 0.04 -0.38 0.00 1.68 0.00 0.00 54.58 55.91 3ibl n ASN 178 Cb 0.57 -4.88 -0.06 0.00 -1.54 0.00 0.00 39.78 33.86 3ibl n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3ibl s PHE 179 N -3.01 3.50 -0.47 3.10 5.36 -1.26 -5.01 117.98 120.19 3ibl s PHE 179 Ca 0.00 0.90 -0.16 0.00 -0.96 0.00 0.00 56.93 56.71 3ibl s PHE 179 Cb 0.00 -2.58 0.06 0.00 -0.34 0.00 0.00 43.02 40.16 3ibl s PHE 179 CO 0.00 0.13 0.45 0.34 -1.46 0.00 0.00 175.22 174.68 3ibl s ASP 180 N 0.70 6.17 0.09 6.13 3.68 -1.26 -4.43 116.67 127.74 3ibl s ASP 180 Ca 0.27 -1.14 0.12 0.00 2.13 0.00 0.00 52.55 53.92 3ibl s ASP 180 Cb -0.15 -2.21 0.53 0.00 -1.45 0.00 0.00 42.92 39.64 3ibl s ASP 180 CO 0.11 -0.69 1.36 -0.81 0.13 0.00 0.00 175.17 175.27 3ibl n PRO 181 N 5.47 0.05 0.30 4.34 -0.04 -1.26 -2.36 135.00 141.50 3ibl n PRO 181 Ca -0.10 0.42 0.18 0.00 -0.04 0.00 0.00 63.50 63.96 3ibl n PRO 181 Cb 0.45 -1.62 0.92 0.00 -0.04 0.00 0.00 33.50 33.21 3ibl n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ibl h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.88 114.38 114.19 3ibl h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ibl h ARG 182 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3ibl h ARG 182 CO 0.00 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 3ibl n GLY 183 N -0.64 -0.91 0.48 0.04 0.00 -0.99 -2.91 105.19 100.25 3ibl n GLY 183 Ca -0.02 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.94 3ibl n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ibl n LEU 184 N -0.84 1.97 -4.86 0.99 4.77 -0.71 -4.03 117.00 114.29 3ibl n LEU 184 Ca 0.15 -0.95 -0.33 0.00 -0.03 0.00 0.00 56.01 54.85 3ibl n LEU 184 Cb 0.07 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3ibl n LEU 184 CO 0.11 0.37 0.26 -0.76 -1.33 0.00 0.00 177.39 176.04 3ibl s LEU 185 N -1.25 4.20 0.00 2.23 1.43 -1.15 -4.93 118.68 119.21 3ibl s LEU 185 Ca 0.15 1.04 -0.13 0.00 -1.03 0.00 0.00 54.13 54.15 3ibl s LEU 185 Cb 0.11 -3.65 0.20 0.00 0.03 0.00 0.00 46.19 42.88 3ibl s LEU 185 CO 0.20 -0.05 1.23 -0.81 0.23 0.00 0.00 176.35 177.14 3ibl n PRO 186 N 0.08 -1.05 -0.01 1.29 -0.04 -1.26 -5.00 135.00 129.01 3ibl n PRO 186 Ca -0.00 -2.09 -0.13 0.00 -0.04 0.00 0.00 63.50 61.23 3ibl n PRO 186 Cb 0.52 -1.20 -0.09 0.00 -0.04 0.00 0.00 33.50 32.69 3ibl n PRO 186 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3ibl h GLU 187 N 0.00 0.03 -6.51 0.54 5.08 -1.92 -3.45 114.58 108.35 3ibl h GLU 187 Ca -0.40 -0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 57.42 3ibl h GLU 187 Cb 1.15 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 3ibl h GLU 187 CO 0.30 0.46 -0.00 0.45 -1.00 0.00 0.00 179.01 179.22 3ibl s SER 188 N -5.68 6.80 -0.08 1.42 0.15 -1.26 -4.99 113.70 110.06 3ibl s SER 188 Ca -0.16 1.16 0.15 0.00 0.70 0.00 0.00 55.95 57.80 3ibl s SER 188 Cb 0.02 -2.32 0.50 0.00 -1.71 0.00 0.00 66.02 62.51 3ibl s SER 188 CO 0.68 -0.04 1.42 0.18 1.20 0.00 0.00 173.24 176.68 3ibl n LEU 189 N 0.22 3.76 -4.72 3.45 4.77 -1.26 -4.73 117.00 118.49 3ibl n LEU 189 Ca -0.01 -2.39 -0.41 0.00 -0.03 0.00 0.00 56.01 53.17 3ibl n LEU 189 Cb 0.52 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3ibl n LEU 189 CO 0.43 0.75 0.93 0.47 -1.33 0.00 0.00 177.39 178.64 3ibl n ASP 190 N 0.49 2.76 -3.95 -1.43 10.43 -1.26 -4.90 116.55 118.68 3ibl n ASP 190 Ca 0.19 1.12 -0.08 0.00 2.57 0.00 0.00 54.79 58.58 3ibl n ASP 190 Cb 0.69 -1.52 -0.04 0.00 1.84 0.00 0.00 41.12 42.08 3ibl n ASP 190 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 3ibl s TYR 191 N -1.19 0.17 0.09 1.24 -0.85 -1.26 -1.50 117.35 114.05 3ibl s TYR 191 Ca 0.61 -0.57 0.09 0.00 -0.52 0.00 0.00 57.07 56.68 3ibl s TYR 191 Cb -0.50 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.18 3ibl s TYR 191 CO 0.58 -1.08 -0.22 -1.58 -1.52 0.00 0.00 175.55 171.73 3ibl s TRP 192 N -3.98 2.44 -0.00 -3.49 0.51 -0.23 -0.83 118.94 113.35 3ibl s TRP 192 Ca 0.19 -0.32 -0.03 0.00 -2.12 0.00 0.00 56.10 53.81 3ibl s TRP 192 Cb -0.03 -1.36 -0.00 0.00 -0.81 0.00 0.00 33.47 31.28 3ibl s TRP 192 CO 0.08 0.30 0.06 -0.08 -0.51 0.00 0.00 176.95 176.80 3ibl s THR 193 N -1.01 0.06 0.07 2.01 -1.32 0.43 -0.88 115.64 115.01 3ibl s THR 193 Ca 0.15 -0.51 -0.26 0.00 -1.21 0.00 0.00 61.69 59.86 3ibl s THR 193 Cb -0.10 -0.25 0.08 0.00 -1.51 0.00 0.00 72.50 70.72 3ibl s THR 193 CO 0.06 -0.28 0.73 -0.72 -2.21 0.00 0.00 174.62 172.20 3ibl s TYR 194 N -0.87 -0.47 -0.09 9.09 -0.85 -1.00 -1.35 117.35 121.81 3ibl s TYR 194 Ca -0.10 0.35 -0.27 0.00 -0.52 0.00 0.00 57.07 56.53 3ibl s TYR 194 Cb -0.06 0.54 -0.02 0.00 0.38 0.00 0.00 41.96 42.80 3ibl s TYR 194 CO 0.00 -0.70 0.86 -1.25 -1.52 0.00 0.00 175.55 172.94 3ibl s PRO 195 N -3.26 4.43 0.00 -3.49 0.04 -1.26 -0.86 135.00 130.60 3ibl s PRO 195 Ca 0.02 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.20 3ibl s PRO 195 Cb -0.01 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 31.03 3ibl s PRO 195 CO -0.10 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.21 3ibl n GLY 196 N 3.15 4.98 3.29 0.56 0.00 0.15 -4.84 105.19 112.48 3ibl n GLY 196 Ca 0.04 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 3ibl n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ibl s SER 197 N 1.25 1.62 0.41 1.61 1.04 -1.10 -2.28 113.70 116.26 3ibl s SER 197 Ca 0.00 -1.73 -0.25 0.00 0.48 0.00 0.00 55.95 54.45 3ibl s SER 197 Cb 0.00 0.54 -0.08 0.00 0.10 0.00 0.00 66.02 66.58 3ibl s SER 197 CO 0.00 -1.04 1.14 -0.76 0.98 0.00 0.00 173.24 173.56 3ibl s LEU 198 N -3.37 4.16 0.00 2.42 1.43 -0.39 -4.45 118.68 118.48 3ibl s LEU 198 Ca 0.40 2.27 0.27 0.00 -1.03 0.00 0.00 54.13 56.04 3ibl s LEU 198 Cb 0.03 -4.09 0.94 0.00 0.03 0.00 0.00 46.19 43.11 3ibl s LEU 198 CO 0.26 -0.67 1.68 0.35 0.23 0.00 0.00 176.35 178.21 3ibl n THR 199 N -0.03 0.00 -4.32 5.49 -2.24 -1.26 -4.33 114.28 107.59 3ibl n THR 199 Ca 0.05 -0.26 -0.22 0.00 -2.27 0.00 0.00 64.05 61.35 3ibl n THR 199 Cb 0.47 0.57 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 3ibl n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ibl s THR 200 N -2.06 1.76 0.52 4.28 -4.23 -1.26 -4.72 115.64 109.94 3ibl s THR 200 Ca 0.36 -1.83 -0.21 0.00 -1.18 0.00 0.00 61.69 58.83 3ibl s THR 200 Cb 0.21 -1.76 -0.08 0.00 1.34 0.00 0.00 72.50 72.21 3ibl s THR 200 CO 0.35 -0.27 0.96 -2.65 -0.54 0.00 0.00 174.62 172.47 3ibl n PRO 201 N 0.47 1.09 0.00 3.99 -0.02 -1.26 -0.23 135.00 139.04 3ibl n PRO 201 Ca -0.15 0.41 0.04 0.00 -2.02 0.00 0.00 63.50 61.78 3ibl n PRO 201 Cb 0.56 -2.09 0.26 0.00 -0.02 0.00 0.00 33.50 32.21 3ibl n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ibl n PRO 202 N -0.43 0.49 -2.45 0.52 -0.04 -1.26 -4.99 135.00 126.85 3ibl n PRO 202 Ca 0.11 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 3ibl n PRO 202 Cb 0.44 -1.28 -0.01 0.00 -0.04 0.00 0.00 33.50 32.61 3ibl n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ibl n LEU 203 N -0.78 -1.52 -4.75 1.53 4.77 0.68 -4.90 117.00 112.02 3ibl n LEU 203 Ca 0.07 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.72 3ibl n LEU 203 Cb 0.03 -2.50 -0.01 0.00 -2.33 0.00 0.00 43.42 38.60 3ibl n LEU 203 CO 0.05 -0.16 1.23 -0.76 -1.33 0.00 0.00 177.39 176.42 3ibl s LEU 204 N -5.83 4.35 -1.24 2.23 1.43 -1.26 -4.35 118.68 114.00 3ibl s LEU 204 Ca 0.01 2.94 -0.10 0.00 -1.03 0.00 0.00 54.13 55.95 3ibl s LEU 204 Cb -0.01 -3.64 0.18 0.00 0.03 0.00 0.00 46.19 42.76 3ibl s LEU 204 CO 0.01 -0.89 1.72 -0.62 0.23 0.00 0.00 176.35 176.80 3ibl n GLU 205 N 2.04 3.64 -0.08 1.70 1.02 -1.26 -1.26 120.64 126.43 3ibl n GLU 205 Ca 0.07 -3.72 0.01 0.00 -0.02 0.00 0.00 57.16 53.51 3ibl n GLU 205 Cb 0.38 -2.90 0.02 0.00 -0.02 0.00 0.00 31.44 28.91 3ibl n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ibl s VAL 207 N -0.76 4.50 -0.35 0.00 1.01 -0.96 -0.47 120.40 123.36 3ibl s VAL 207 Ca 0.05 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 3ibl s VAL 207 Cb 0.04 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 3ibl s VAL 207 CO 0.00 0.51 0.32 -0.89 0.00 0.00 0.00 175.10 175.04 3ibl s THR 208 N 0.01 5.21 0.03 3.92 2.01 -0.03 0.31 115.64 127.09 3ibl s THR 208 Ca 0.04 -0.16 -0.21 0.00 0.31 0.00 0.00 61.69 61.67 3ibl s THR 208 Cb -0.13 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.52 3ibl s THR 208 CO 0.01 -0.11 0.62 0.26 -0.69 0.00 0.00 174.62 174.72 3ibl s TRP 209 N 1.88 3.73 -0.28 4.92 0.52 -0.04 -2.34 118.94 127.33 3ibl s TRP 209 Ca 0.09 1.28 -0.00 0.00 0.02 0.00 0.00 56.10 57.48 3ibl s TRP 209 Cb -0.17 -2.63 0.08 0.00 -1.15 0.00 0.00 33.47 29.61 3ibl s TRP 209 CO 0.11 0.40 0.05 0.42 0.02 0.00 0.00 176.95 177.94 3ibl s ILE 210 N -0.40 1.15 -0.27 2.03 1.01 -0.64 -2.38 121.20 121.70 3ibl s ILE 210 Ca 0.32 -1.35 -0.07 0.00 0.00 0.00 0.00 60.65 59.55 3ibl s ILE 210 Cb -0.19 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 3ibl s ILE 210 CO 0.19 -0.46 0.08 -0.69 0.00 0.00 0.00 174.94 174.06 3ibl s VAL 211 N 1.51 4.20 0.31 2.92 1.01 -0.06 -0.07 120.40 130.22 3ibl s VAL 211 Ca 0.05 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 3ibl s VAL 211 Cb -0.18 -3.05 -0.10 0.00 0.00 0.00 0.00 36.38 33.05 3ibl s VAL 211 CO -0.16 0.22 1.22 -0.76 0.00 0.00 0.00 175.10 175.62 3ibl s LEU 212 N 1.57 4.48 0.12 3.92 1.43 -0.08 -1.07 118.68 129.05 3ibl s LEU 212 Ca 0.05 2.51 -0.10 0.00 -1.03 0.00 0.00 54.13 55.56 3ibl s LEU 212 Cb -0.16 -3.64 -0.11 0.00 0.03 0.00 0.00 46.19 42.31 3ibl s LEU 212 CO 0.03 -0.37 1.33 0.50 0.23 0.00 0.00 176.35 178.07 3ibl h LYS 213 N 3.59 0.69 -5.89 1.70 3.64 -1.61 -3.42 116.57 115.27 3ibl h LYS 213 Ca -0.48 -0.58 -0.59 0.00 -1.27 0.00 0.00 60.65 57.73 3ibl h LYS 213 Cb 1.22 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 33.09 3ibl h LYS 213 CO 0.66 1.19 0.59 -2.00 -2.27 0.00 0.00 179.45 177.62 3ibl s GLU 214 N -3.68 4.21 0.61 1.90 2.12 -1.26 -4.99 118.70 117.61 3ibl s GLU 214 Ca -0.09 1.09 -0.10 0.00 0.36 0.00 0.00 54.97 56.22 3ibl s GLU 214 Cb 0.09 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 3ibl s GLU 214 CO 0.89 -0.56 1.01 -1.25 -0.54 0.00 0.00 175.26 174.81 3ibl s PRO 215 N 2.97 3.48 0.14 4.30 0.04 -1.26 -4.65 135.00 140.02 3ibl s PRO 215 Ca 0.38 0.63 0.03 0.00 0.04 0.00 0.00 61.00 62.08 3ibl s PRO 215 Cb -0.15 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 3ibl s PRO 215 CO 0.07 -0.59 0.25 0.96 0.04 0.00 0.00 177.00 177.73 3ibl s ILE 216 N -3.15 5.19 -0.14 0.56 -4.36 0.32 -4.90 121.20 114.73 3ibl s ILE 216 Ca 0.54 -0.73 -0.07 0.00 -0.26 0.00 0.00 60.65 60.14 3ibl s ILE 216 Cb -0.11 -3.66 -0.04 0.00 1.25 0.00 0.00 42.46 39.90 3ibl s ILE 216 CO 0.52 -0.07 0.09 -0.44 0.24 0.00 0.00 174.94 175.28 3ibl s SER 217 N -3.15 5.92 0.16 4.36 0.01 -1.26 -1.28 113.70 118.46 3ibl s SER 217 Ca 0.34 0.26 0.07 0.00 1.31 0.00 0.00 55.95 57.93 3ibl s SER 217 Cb -0.11 -1.93 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 3ibl s SER 217 CO 0.28 0.30 -0.16 0.68 0.41 0.00 0.00 173.24 174.75 3ibl s VAL 218 N -0.38 1.64 0.56 3.43 -7.23 -0.21 -3.26 120.40 114.95 3ibl s VAL 218 Ca 0.10 -1.96 -0.08 0.00 -1.81 0.00 0.00 61.98 58.23 3ibl s VAL 218 Cb -0.12 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 3ibl s VAL 218 CO 0.02 -0.44 0.91 -0.94 -0.31 0.00 0.00 175.10 174.33 3ibl s SER 219 N -2.82 6.16 0.35 4.85 1.04 -1.18 -0.38 113.70 121.71 3ibl s SER 219 Ca 0.16 1.12 0.02 0.00 0.48 0.00 0.00 55.95 57.73 3ibl s SER 219 Cb -0.04 -2.28 0.63 0.00 0.10 0.00 0.00 66.02 64.44 3ibl s SER 219 CO 0.05 -0.77 2.01 0.77 0.98 0.00 0.00 173.24 176.28 3ibl h SER 220 N -0.07 0.72 -0.63 7.02 4.64 -1.93 -1.83 113.55 121.47 3ibl h SER 220 Ca -0.46 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 3ibl h SER 220 Cb 1.21 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.09 3ibl h SER 220 CO 0.62 0.53 0.28 -0.33 -0.87 0.00 0.00 176.83 177.05 3ibl h GLU 221 N 0.85 0.92 -0.17 4.77 3.07 -1.95 -0.07 114.58 122.01 3ibl h GLU 221 Ca 0.23 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 3ibl h GLU 221 Cb -0.08 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.66 3ibl h GLU 221 CO -0.05 0.76 0.06 1.96 -1.40 0.00 0.00 179.01 180.35 3ibl h GLN 222 N 0.87 0.26 0.00 2.33 4.20 -1.73 -2.57 115.11 118.48 3ibl h GLN 222 Ca 0.21 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.76 3ibl h GLN 222 Cb 0.17 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3ibl h GLN 222 CO -0.02 0.36 -0.51 -0.24 -0.67 0.00 0.00 178.83 177.75 3ibl h VAL 223 N 0.11 1.29 -0.28 -0.54 3.04 -1.35 -2.59 116.25 115.93 3ibl h VAL 223 Ca 0.06 -1.79 -0.03 0.00 -1.01 0.00 0.00 66.70 63.93 3ibl h VAL 223 Cb 0.20 1.98 -0.02 0.00 -2.01 0.00 0.00 31.29 31.45 3ibl h VAL 223 CO -0.00 0.50 0.03 -0.07 -1.01 0.00 0.00 177.57 177.02 3ibl h LEU 224 N 0.00 0.38 -0.78 3.16 3.38 -0.82 -1.40 115.31 119.22 3ibl h LEU 224 Ca -0.01 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3ibl h LEU 224 Cb 0.94 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3ibl h LEU 224 CO 0.07 0.42 -0.53 0.11 0.09 0.00 0.00 178.44 178.60 3ibl h LYS 225 N 0.41 0.00 -0.54 1.13 1.57 -1.07 -2.59 116.57 115.48 3ibl h LYS 225 Ca 0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3ibl h LYS 225 Cb 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3ibl h LYS 225 CO 0.00 0.53 0.27 0.74 -0.57 0.00 0.00 179.45 180.43 3ibl h PHE 226 N 0.00 0.76 0.00 -1.35 -1.00 -1.13 -2.42 116.94 111.80 3ibl h PHE 226 Ca -0.01 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.75 3ibl h PHE 226 Cb 1.05 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 40.37 3ibl h PHE 226 CO 0.00 0.58 0.00 0.54 -1.61 0.00 0.00 178.31 177.82 3ibl n ARG 227 N -4.59 0.42 0.00 1.51 1.74 -0.90 -2.31 116.66 112.52 3ibl n ARG 227 Ca 0.03 0.04 0.11 0.00 -0.77 0.00 0.00 57.85 57.26 3ibl n ARG 227 Cb 0.10 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.13 3ibl n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ibl n LYS 228 N -1.08 0.13 -1.04 5.56 5.02 -0.91 -4.44 118.16 121.40 3ibl n LYS 228 Ca 0.11 -0.10 -0.29 0.00 -2.02 0.00 0.00 58.31 56.01 3ibl n LYS 228 Cb 0.07 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.75 3ibl n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ibl s LEU 229 N -2.93 1.96 0.04 -0.35 1.43 -0.98 -4.84 118.68 113.01 3ibl s LEU 229 Ca 0.11 1.51 0.09 0.00 -1.03 0.00 0.00 54.13 54.81 3ibl s LEU 229 Cb 0.17 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 3ibl s LEU 229 CO 0.75 -3.03 -0.25 0.20 0.23 0.00 0.00 176.35 174.25 3ibl s ASN 230 N -3.21 3.04 0.10 2.29 0.02 0.71 -0.39 114.94 117.50 3ibl s ASN 230 Ca 0.65 -0.56 0.03 0.00 -1.02 0.00 0.00 52.86 51.96 3ibl s ASN 230 Cb -0.20 -0.28 -0.24 0.00 0.02 0.00 0.00 41.25 40.56 3ibl s ASN 230 CO 0.58 0.25 1.20 -0.26 0.02 0.00 0.00 177.10 178.89 3ibl h PHE 231 N 4.89 0.17 -4.37 2.20 0.05 -1.27 -3.35 116.94 115.26 3ibl h PHE 231 Ca -0.45 -0.13 -0.49 0.00 3.82 0.00 0.00 57.97 60.72 3ibl h PHE 231 Cb 1.14 -0.01 0.10 0.00 2.00 0.00 0.00 35.95 39.18 3ibl h PHE 231 CO 0.47 1.10 0.37 0.54 -0.18 0.00 0.00 178.31 180.62 3ibl s ASN 232 N -6.83 4.94 0.67 2.17 4.22 -1.26 -4.42 114.94 114.43 3ibl s ASN 232 Ca -0.01 1.25 -0.03 0.00 -2.14 0.00 0.00 52.86 51.94 3ibl s ASN 232 Cb 0.09 -2.02 0.08 0.00 1.28 0.00 0.00 41.25 40.68 3ibl s ASN 232 CO 0.84 -1.68 0.94 -0.83 -2.04 0.00 0.00 177.10 174.34 3ibl s GLY 233 N -4.09 1.77 0.42 0.45 0.00 -1.26 -0.81 107.32 103.79 3ibl s GLY 233 Ca 0.60 -1.34 -0.27 0.00 0.00 0.00 0.00 44.72 43.70 3ibl s GLY 233 CO 0.53 -0.90 1.47 1.85 0.00 0.00 0.00 173.10 176.05 3ibl s GLU 234 N -5.09 3.89 0.00 2.90 2.12 -1.26 -2.59 118.70 118.67 3ibl s GLU 234 Ca 0.62 2.52 0.00 0.00 0.36 0.00 0.00 54.97 58.47 3ibl s GLU 234 Cb -0.08 -2.81 0.00 0.00 0.26 0.00 0.00 34.13 31.49 3ibl s GLU 234 CO 0.43 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.87 3ibl n GLY 235 N 0.50 0.73 3.71 -1.50 0.00 -1.26 -5.03 105.19 102.35 3ibl n GLY 235 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3ibl n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ibl s GLU 236 N -0.11 2.54 0.34 1.61 2.02 -1.07 -5.08 118.70 118.96 3ibl s GLU 236 Ca 0.00 -1.26 -0.28 0.00 0.02 0.00 0.00 54.97 53.46 3ibl s GLU 236 Cb 0.00 -2.33 -0.12 0.00 0.10 0.00 0.00 34.13 31.78 3ibl s GLU 236 CO 0.00 0.38 1.20 -2.30 0.02 0.00 0.00 175.26 174.56 3ibl n PRO 237 N -0.95 1.87 -2.36 0.39 -0.02 -1.26 -4.88 135.00 127.78 3ibl n PRO 237 Ca -0.07 0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 3ibl n PRO 237 Cb 0.58 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 3ibl n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3ibl s GLU 238 N -1.82 4.37 -0.29 -0.52 2.12 -1.26 -4.78 118.70 116.51 3ibl s GLU 238 Ca 0.57 1.82 0.01 0.00 0.36 0.00 0.00 54.97 57.73 3ibl s GLU 238 Cb -0.60 -3.44 0.09 0.00 0.26 0.00 0.00 34.13 30.44 3ibl s GLU 238 CO 0.61 -0.40 0.04 -1.21 -0.54 0.00 0.00 175.26 173.77 3ibl s GLU 239 N 1.67 1.15 0.29 4.30 2.02 -1.26 -5.06 118.70 121.81 3ibl s GLU 239 Ca 0.60 -1.24 -0.30 0.00 0.02 0.00 0.00 54.97 54.04 3ibl s GLU 239 Cb -0.29 -2.48 -0.12 0.00 0.10 0.00 0.00 34.13 31.33 3ibl s GLU 239 CO 0.27 -0.86 1.49 1.28 0.02 0.00 0.00 175.26 177.46 3ibl n LEU 240 N 4.65 3.94 -4.56 1.80 4.77 -1.26 -0.89 117.00 125.44 3ibl n LEU 240 Ca -0.03 1.16 -0.41 0.00 -0.03 0.00 0.00 56.01 56.70 3ibl n LEU 240 Cb 0.43 -1.53 -0.03 0.00 -2.33 0.00 0.00 43.42 39.95 3ibl n LEU 240 CO 0.16 -0.11 1.43 -0.32 -1.33 0.00 0.00 177.39 177.22 3ibl s MET 241 N -0.81 3.54 0.04 3.23 -2.45 0.48 -4.62 119.30 118.71 3ibl s MET 241 Ca 0.63 -1.03 -0.03 0.00 -1.25 0.00 0.00 55.69 54.01 3ibl s MET 241 Cb -0.55 -5.21 -0.02 0.00 1.25 0.00 0.00 34.83 30.30 3ibl s MET 241 CO 0.52 -2.19 0.03 0.14 1.05 0.00 0.00 175.02 174.57 3ibl s VAL 242 N 5.02 0.17 -1.34 10.11 -7.23 -1.26 -4.43 120.40 121.44 3ibl s VAL 242 Ca 0.44 -1.37 -0.05 0.00 -1.81 0.00 0.00 61.98 59.20 3ibl s VAL 242 Cb -0.01 -1.08 0.02 0.00 0.56 0.00 0.00 36.38 35.87 3ibl s VAL 242 CO -0.07 -0.75 0.94 0.47 -0.31 0.00 0.00 175.10 175.38 3ibl n ASP 243 N 0.58 -3.26 -2.81 4.85 10.43 0.35 -4.85 116.55 121.84 3ibl n ASP 243 Ca -0.17 -0.70 -0.34 0.00 2.57 0.00 0.00 54.79 56.15 3ibl n ASP 243 Cb 0.59 -4.52 -0.01 0.00 1.84 0.00 0.00 41.12 39.03 3ibl n ASP 243 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3ibl n ASN 244 N -3.02 7.07 -4.26 -2.24 6.94 -1.04 -4.90 115.26 113.81 3ibl n ASN 244 Ca -0.16 -3.49 -0.25 0.00 -0.02 0.00 0.00 54.58 50.66 3ibl n ASN 244 Cb 0.62 -1.17 -0.13 0.00 -2.36 0.00 0.00 39.78 36.74 3ibl n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3ibl s TRP 245 N -2.81 1.79 -0.08 -2.53 1.48 -1.26 -4.56 118.94 110.96 3ibl s TRP 245 Ca 0.55 -0.39 -0.11 0.00 -1.06 0.00 0.00 56.10 55.08 3ibl s TRP 245 Cb 0.38 -1.03 -0.05 0.00 -1.16 0.00 0.00 33.47 31.62 3ibl s TRP 245 CO -0.29 0.14 0.26 0.50 -4.06 0.00 0.00 176.95 173.50 3ibl s ARG 246 N -1.50 3.73 0.89 3.25 3.52 -1.26 -4.97 118.95 122.61 3ibl s ARG 246 Ca 0.07 0.11 -0.12 0.00 -0.13 0.00 0.00 55.73 55.65 3ibl s ARG 246 Cb -0.09 -3.23 0.12 0.00 -1.56 0.00 0.00 34.95 30.19 3ibl s ARG 246 CO 0.03 0.68 1.12 -1.25 -0.81 0.00 0.00 175.30 175.06 3ibl s PRO 247 N -0.85 1.32 0.37 5.12 0.04 -1.26 -4.58 135.00 135.16 3ibl s PRO 247 Ca 0.18 0.42 -0.28 0.00 0.04 0.00 0.00 61.00 61.37 3ibl s PRO 247 Cb -0.14 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 3ibl s PRO 247 CO 0.08 -2.10 1.38 0.00 0.04 0.00 0.00 177.00 176.39 3ibl n ALA 248 N -3.72 1.79 -2.66 8.56 0.00 -1.26 -4.32 120.51 118.90 3ibl n ALA 248 Ca 0.07 0.34 -0.23 0.00 0.00 0.00 0.00 53.44 53.61 3ibl n ALA 248 Cb 0.58 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.63 3ibl n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ibl s GLN 249 N -2.04 2.45 0.17 0.00 -1.52 0.64 -4.94 119.66 114.42 3ibl s GLN 249 Ca 0.55 -1.36 -0.33 0.00 -1.95 0.00 0.00 55.36 52.27 3ibl s GLN 249 Cb -0.52 -2.25 -0.14 0.00 -0.22 0.00 0.00 33.01 29.88 3ibl s GLN 249 CO 0.62 0.32 1.49 -2.30 -0.25 0.00 0.00 175.29 175.18 3ibl n PRO 250 N -1.01 1.98 -0.00 2.91 -0.02 -1.26 -4.58 135.00 133.02 3ibl n PRO 250 Ca -0.06 0.71 -0.06 0.00 -2.02 0.00 0.00 63.50 62.07 3ibl n PRO 250 Cb 0.59 -2.43 0.13 0.00 -0.02 0.00 0.00 33.50 31.78 3ibl n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ibl h LEU 251 N 5.24 0.56 0.00 2.45 5.85 -1.95 -3.43 115.31 124.04 3ibl h LEU 251 Ca -0.45 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.04 3ibl h LEU 251 Cb 1.27 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3ibl h LEU 251 CO 0.84 0.87 0.00 0.29 -0.34 0.00 0.00 178.44 180.09 3ibl n LYS 252 N -4.06 0.00 -1.30 1.25 5.02 -1.26 -3.10 118.16 114.71 3ibl n LYS 252 Ca -0.01 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.91 3ibl n LYS 252 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.47 3ibl n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ibl n ASN 253 N -0.10 5.91 -3.97 4.39 4.05 -1.26 -4.87 115.26 119.40 3ibl n ASN 253 Ca 0.00 -2.61 -0.09 0.00 0.45 0.00 0.00 54.58 52.33 3ibl n ASN 253 Cb 0.00 -1.45 -0.10 0.00 1.23 0.00 0.00 39.78 39.46 3ibl n ASN 253 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3ibl s ARG 254 N 3.04 0.46 -0.03 1.20 0.52 -1.18 -5.09 118.95 117.87 3ibl s ARG 254 Ca 0.56 -0.73 0.06 0.00 -0.52 0.00 0.00 55.73 55.09 3ibl s ARG 254 Cb 0.15 0.17 -0.01 0.00 0.52 0.00 0.00 34.95 35.78 3ibl s ARG 254 CO -0.04 -0.10 -0.20 -0.65 0.02 0.00 0.00 175.30 174.33 3ibl s GLN 255 N -2.21 1.89 -0.20 3.54 -0.21 -1.26 -5.05 119.66 116.16 3ibl s GLN 255 Ca -0.09 -0.73 -0.13 0.00 0.02 0.00 0.00 55.36 54.43 3ibl s GLN 255 Cb -0.04 -1.71 -0.04 0.00 1.00 0.00 0.00 33.01 32.22 3ibl s GLN 255 CO -0.03 0.36 0.29 0.42 -2.12 0.00 0.00 175.29 174.21 3ibl s ILE 256 N -0.24 5.29 -0.01 1.08 1.01 -1.26 -4.70 121.20 122.37 3ibl s ILE 256 Ca 0.02 0.49 -0.01 0.00 0.00 0.00 0.00 60.65 61.15 3ibl s ILE 256 Cb -0.10 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 3ibl s ILE 256 CO 0.01 0.33 0.09 -0.54 0.00 0.00 0.00 174.94 174.83 3ibl s LYS 257 N 0.93 3.10 -0.02 2.79 -0.14 -0.46 -2.31 119.74 123.63 3ibl s LYS 257 Ca 0.15 -0.47 0.01 0.00 -1.36 0.00 0.00 55.97 54.29 3ibl s LYS 257 Cb -0.14 -2.88 -0.03 0.00 -1.68 0.00 0.00 37.83 33.10 3ibl s LYS 257 CO 0.05 0.65 -0.01 0.00 -0.76 0.00 0.00 175.35 175.28 3ibl s ALA 258 N -1.21 3.25 -1.55 5.17 0.00 0.34 -0.42 121.76 127.34 3ibl s ALA 258 Ca 0.23 -0.92 0.28 0.00 0.00 0.00 0.00 51.96 51.55 3ibl s ALA 258 Cb -0.12 -1.35 1.02 0.00 0.00 0.00 0.00 23.12 22.66 3ibl s ALA 258 CO 0.14 0.63 1.74 -1.13 0.00 0.00 0.00 175.76 177.14 3ibl n SER 259 N 1.62 0.58 -4.38 0.00 3.41 -0.01 -1.15 113.62 113.69 3ibl n SER 259 Ca -0.16 -0.53 -0.20 0.00 -0.26 0.00 0.00 58.87 57.72 3ibl n SER 259 Cb 0.53 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 3ibl n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3ibl s PHE 260 N -2.59 1.82 -2.34 7.33 -0.71 -1.26 -4.89 117.98 115.34 3ibl s PHE 260 Ca 0.24 -0.64 0.19 0.00 -1.04 0.00 0.00 56.93 55.68 3ibl s PHE 260 Cb 0.19 -0.94 0.15 0.00 -1.21 0.00 0.00 43.02 41.21 3ibl s PHE 260 CO 0.52 0.32 1.09 1.63 -1.34 0.00 0.00 175.22 177.44