#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6l n LEU 3 N 0.00 -4.27 -4.50 2.46 0.00 -1.26 -4.94 117.00 104.49 1u6l n LEU 3 Ca 0.00 0.71 -0.36 0.00 0.00 0.00 0.00 56.01 56.36 1u6l n LEU 3 Cb 0.00 -1.72 -0.12 0.00 0.00 0.00 0.00 43.42 41.58 1u6l n LEU 3 CO 0.00 -2.07 -0.28 -1.10 0.00 0.00 0.00 177.39 173.94 1u6l s GLN 4 N -0.70 3.74 -0.20 1.96 -0.21 -1.26 -5.07 119.66 117.93 1u6l s GLN 4 Ca -0.01 -0.45 -0.06 0.00 0.02 0.00 0.00 55.36 54.87 1u6l s GLN 4 Cb 0.00 -3.23 -0.03 0.00 1.00 0.00 0.00 33.01 30.75 1u6l s GLN 4 CO 0.07 0.00 0.02 0.96 -2.12 0.00 0.00 175.29 174.22 1u6l s ILE 5 N 1.09 4.16 -0.04 1.08 -0.00 -1.26 -5.09 121.20 121.14 1u6l s ILE 5 Ca 0.04 -0.24 0.02 0.00 -0.00 0.00 0.00 60.65 60.47 1u6l s ILE 5 Cb -0.14 -2.88 0.01 0.00 -0.00 0.00 0.00 42.46 39.44 1u6l s ILE 5 CO 0.03 0.43 -0.10 -0.69 -0.00 0.00 0.00 174.94 174.60 1u6l s VAL 6 N 0.90 0.93 0.17 8.37 1.01 -1.26 -4.87 120.40 125.66 1u6l s VAL 6 Ca 0.02 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1u6l s VAL 6 Cb -0.14 -0.85 -0.08 0.00 0.00 0.00 0.00 36.38 35.31 1u6l s VAL 6 CO 0.02 0.30 1.30 -2.16 0.00 0.00 0.00 175.10 174.56 1u6l s PRO 7 N 0.41 4.39 -0.23 2.72 0.04 -1.26 -5.03 135.00 136.05 1u6l s PRO 7 Ca -0.08 2.01 -0.07 0.00 0.04 0.00 0.00 61.00 62.90 1u6l s PRO 7 Cb -0.12 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 1u6l s PRO 7 CO 0.02 -0.26 0.06 -0.47 0.04 0.00 0.00 177.00 176.39 1u6l s TYR 8 N 0.30 3.11 0.28 0.56 5.04 -1.26 -4.68 117.35 120.70 1u6l s TYR 8 Ca 0.57 -0.30 0.08 0.00 -2.44 0.00 0.00 57.07 54.98 1u6l s TYR 8 Cb -0.36 -2.18 -0.04 0.00 0.35 0.00 0.00 41.96 39.73 1u6l s TYR 8 CO 0.36 -0.22 0.15 -0.51 -1.34 0.00 0.00 175.55 173.99 1u6l s LEU 9 N 1.26 3.56 -0.17 6.97 1.43 -1.26 -4.95 118.68 125.52 1u6l s LEU 9 Ca 0.05 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1u6l s LEU 9 Cb -0.15 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 44.01 1u6l s LEU 9 CO 0.03 -0.10 -0.08 -0.63 0.23 0.00 0.00 176.35 175.81 1u6l s ILE 10 N -2.24 1.29 0.26 -0.59 1.01 -1.26 -1.75 121.20 117.92 1u6l s ILE 10 Ca 0.34 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1u6l s ILE 10 Cb -0.07 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 1u6l s ILE 10 CO 0.24 0.19 0.43 -0.36 0.00 0.00 0.00 174.94 175.43 1u6l s PHE 11 N 1.56 3.48 -0.93 3.97 0.40 -0.92 -4.80 117.98 120.75 1u6l s PHE 11 Ca 0.01 0.19 -0.02 0.00 -0.60 0.00 0.00 56.93 56.52 1u6l s PHE 11 Cb -0.15 -1.75 0.31 0.00 0.51 0.00 0.00 43.02 41.94 1u6l s PHE 11 CO -0.08 0.32 2.00 -1.71 0.70 0.00 0.00 175.22 176.44 1u6l n ASN 12 N -1.33 7.44 0.00 1.36 4.05 -1.26 0.24 115.26 125.76 1u6l n ASN 12 Ca -0.06 -3.72 0.00 0.00 0.45 0.00 0.00 54.58 51.25 1u6l n ASN 12 Cb 0.56 -1.13 0.00 0.00 1.23 0.00 0.00 39.78 40.44 1u6l n ASN 12 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1u6l n GLY 13 N -0.18 1.27 0.19 8.20 0.00 -1.26 -4.95 105.19 108.46 1u6l n GLY 13 Ca 0.51 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.62 1u6l n GLY 13 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u6l n ASN 14 N 0.00 2.55 -0.13 1.61 6.94 -1.26 -4.70 115.26 120.27 1u6l n ASN 14 Ca 0.00 -3.01 -0.04 0.00 -0.02 0.00 0.00 54.58 51.51 1u6l n ASN 14 Cb 0.00 -0.42 0.02 0.00 -2.36 0.00 0.00 39.78 37.02 1u6l n ASN 14 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1u6l h ARG 16 N -0.02 -0.38 -0.89 0.00 2.43 -1.97 0.96 114.38 114.52 1u6l h ARG 16 Ca 0.21 0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.55 1u6l h ARG 16 Cb 0.34 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.90 1u6l h ARG 16 CO -0.46 -0.25 0.57 1.49 -1.51 0.00 0.00 179.97 179.81 1u6l h GLU 17 N -0.39 0.65 -0.08 0.20 4.81 -1.82 -2.46 114.58 115.48 1u6l h GLU 17 Ca 0.04 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1u6l h GLU 17 Cb 0.44 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.68 1u6l h GLU 17 CO -0.17 0.43 -0.54 0.00 -0.73 0.00 0.00 179.01 178.01 1u6l h ALA 18 N 1.60 0.18 0.00 2.92 0.00 0.12 -2.93 119.26 121.15 1u6l h ALA 18 Ca 0.45 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1u6l h ALA 18 Cb 0.74 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1u6l h ALA 18 CO -0.20 0.39 -0.51 0.74 0.00 0.00 0.00 179.25 179.67 1u6l h PHE 19 N 0.10 0.00 -0.22 0.00 -1.00 -0.83 -1.08 116.94 113.91 1u6l h PHE 19 Ca -0.04 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.67 1u6l h PHE 19 Cb 1.19 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.74 1u6l h PHE 19 CO 0.12 0.51 -0.18 0.66 -1.61 0.00 0.00 178.31 177.81 1u6l h SER 20 N 0.00 0.36 0.02 2.17 4.64 -1.31 0.17 113.55 119.59 1u6l h SER 20 Ca -0.01 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 1u6l h SER 20 Cb 0.92 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1u6l h SER 20 CO 0.07 0.56 -0.13 0.00 -0.87 0.00 0.00 176.83 176.46 1u6l h TYR 22 N -0.82 -0.71 0.35 0.00 0.99 -1.10 0.40 116.97 116.09 1u6l h TYR 22 Ca -0.02 0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.80 1u6l h TYR 22 Cb 1.03 0.45 -0.03 0.00 1.00 0.00 0.00 36.73 39.18 1u6l h TYR 22 CO 0.24 -0.39 -0.44 1.25 -0.00 0.00 0.00 178.16 178.82 1u6l h HIS 23 N -0.02 -1.21 -0.90 4.88 2.76 -0.64 0.18 115.15 120.20 1u6l h HIS 23 Ca 0.39 0.01 0.23 0.00 -2.20 0.00 0.00 60.37 58.80 1u6l h HIS 23 Cb 0.63 0.48 -0.05 0.00 1.55 0.00 0.00 27.41 30.02 1u6l h HIS 23 CO -0.74 -0.58 0.61 0.37 -1.30 0.00 0.00 177.93 176.29 1u6l h GLN 24 N -0.83 0.22 0.00 5.26 4.15 0.60 0.44 115.11 124.96 1u6l h GLN 24 Ca -0.03 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1u6l h GLN 24 Cb 0.76 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.40 1u6l h GLN 24 CO -0.11 0.15 -1.58 0.72 -1.93 0.00 0.00 178.83 176.07 1u6l n HIS 25 N -4.42 0.00 -0.01 3.99 8.25 -0.04 -4.36 115.22 118.64 1u6l n HIS 25 Ca 0.19 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.73 1u6l n HIS 25 Cb 0.81 -0.30 -0.13 0.00 1.12 0.00 0.00 29.99 31.50 1u6l n HIS 25 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1u6l n LEU 26 N -1.95 0.00 0.00 2.41 4.32 0.57 -4.94 117.00 117.41 1u6l n LEU 26 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 1u6l n LEU 26 Cb 0.35 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.16 1u6l n LEU 26 CO 0.26 0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.05 1u6l n GLY 27 N 1.55 -0.90 6.65 -0.72 0.00 0.13 -5.03 105.19 106.88 1u6l n GLY 27 Ca -0.04 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1u6l n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u6l n GLY 28 N 0.00 -2.09 3.21 -0.02 0.00 -1.26 -4.66 105.19 100.37 1u6l n GLY 28 Ca 0.00 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 1u6l n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u6l s THR 29 N -0.05 1.91 -0.98 2.61 2.01 0.31 -4.94 115.64 116.51 1u6l s THR 29 Ca 0.00 -0.96 -0.17 0.00 0.31 0.00 0.00 61.69 60.87 1u6l s THR 29 Cb 0.00 -1.64 0.15 0.00 0.01 0.00 0.00 72.50 71.02 1u6l s THR 29 CO 0.00 0.53 1.15 -0.22 -0.69 0.00 0.00 174.62 175.39 1u6l s LEU 30 N 0.14 5.27 0.29 4.42 0.20 -1.26 0.19 118.68 127.94 1u6l s LEU 30 Ca -0.11 -2.34 0.23 0.00 0.69 0.00 0.00 54.13 52.60 1u6l s LEU 30 Cb -0.15 -2.37 1.08 0.00 -0.43 0.00 0.00 46.19 44.31 1u6l s LEU 30 CO 0.06 -0.93 1.70 -0.62 -0.29 0.00 0.00 176.35 176.27 1u6l n GLU 31 N 5.99 0.18 -3.83 1.98 1.02 -0.28 -4.97 120.64 120.72 1u6l n GLU 31 Ca 0.25 0.52 -0.08 0.00 -0.02 0.00 0.00 57.16 57.84 1u6l n GLU 31 Cb 0.47 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1u6l n GLU 31 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u6l s ALA 32 N -3.43 -1.00 0.00 0.62 0.00 -1.14 -4.90 121.76 111.91 1u6l s ALA 32 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1u6l s ALA 32 Cb 0.08 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.97 1u6l s ALA 32 CO 0.31 -1.02 0.00 -0.11 0.00 0.00 0.00 175.76 174.95 1u6l n LEU 34 N -0.49 0.00 -4.82 0.00 7.94 -0.88 -2.13 117.00 116.62 1u6l n LEU 34 Ca -0.06 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.51 1u6l n LEU 34 Cb 0.59 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.48 1u6l n LEU 34 CO 0.20 0.00 0.67 -2.84 -1.11 0.00 0.00 177.39 174.31 1u6l s PRO 35 N 0.00 4.12 0.16 1.96 0.02 -1.26 -2.66 135.00 137.34 1u6l s PRO 35 Ca 0.00 1.17 -0.17 0.00 0.02 0.00 0.00 61.00 62.02 1u6l s PRO 35 Cb 0.00 -2.16 0.07 0.00 0.02 0.00 0.00 34.50 32.43 1u6l s PRO 35 CO 0.00 -0.13 1.71 0.74 -0.33 0.00 0.00 177.00 178.99 1u6l h PHE 36 N 1.81 -0.01 -0.98 6.54 -1.00 -1.77 -1.91 116.94 119.60 1u6l h PHE 36 Ca -0.49 0.03 0.16 0.00 2.81 0.00 0.00 57.97 60.48 1u6l h PHE 36 Cb 1.19 0.06 -0.17 0.00 3.61 0.00 0.00 35.95 40.64 1u6l h PHE 36 CO 0.61 -0.06 -0.35 0.41 -1.61 0.00 0.00 178.31 177.31 1u6l n GLY 37 N -1.25 -1.94 1.63 -1.45 0.00 -1.26 -0.63 105.19 100.30 1u6l n GLY 37 Ca 0.01 1.09 -0.12 0.00 0.00 0.00 0.00 46.02 47.00 1u6l n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u6l n ASP 38 N -5.49 4.16 -2.04 1.61 9.92 -0.72 -4.87 116.55 119.12 1u6l n ASP 38 Ca 0.11 -2.80 -0.05 0.00 -0.53 0.00 0.00 54.79 51.52 1u6l n ASP 38 Cb 0.42 -0.76 -0.01 0.00 -0.64 0.00 0.00 41.12 40.12 1u6l n ASP 38 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1u6l n SER 39 N -0.05 1.18 -1.97 -2.24 3.41 0.20 -4.88 113.62 109.28 1u6l n SER 39 Ca 0.27 -1.44 -0.14 0.00 -0.26 0.00 0.00 58.87 57.29 1u6l n SER 39 Cb 0.90 0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 65.00 1u6l n SER 39 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1u6l n PRO 40 N -0.20 1.80 0.00 4.33 -0.04 -1.26 -5.05 135.00 134.58 1u6l n PRO 40 Ca -0.02 -1.25 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1u6l n PRO 40 Cb 0.13 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1u6l n PRO 40 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1u6l n GLU 41 N 1.24 0.00 0.00 0.54 1.02 -1.26 -5.16 120.64 117.02 1u6l n GLU 41 Ca 0.30 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.44 1u6l n GLU 41 Cb 0.63 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 32.05 1u6l n GLU 41 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1u6l n PRO 46 N 3.28 0.03 -1.18 3.49 -0.04 -1.26 -5.05 135.00 134.28 1u6l n PRO 46 Ca 0.00 0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.60 1u6l n PRO 46 Cb 0.00 -0.28 -0.06 0.00 -0.04 0.00 0.00 33.50 33.12 1u6l n PRO 46 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u6l n ALA 47 N -2.78 -3.16 -2.32 0.55 0.00 -1.26 -4.99 120.51 106.55 1u6l n ALA 47 Ca -0.01 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1u6l n ALA 47 Cb 0.03 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1u6l n ALA 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u6l n ASP 48 N -4.12 0.12 0.00 0.00 10.43 -1.26 -4.80 116.55 116.92 1u6l n ASP 48 Ca -0.05 -0.26 0.00 0.00 2.57 0.00 0.00 54.79 57.05 1u6l n ASP 48 Cb 0.56 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.52 1u6l n ASP 48 CO 0.00 0.00 0.00 -2.67 -1.07 0.00 0.00 177.20 173.46 1u6l n TRP 49 N -0.24 0.00 -2.72 1.24 -0.00 -1.26 -4.71 117.44 109.75 1u6l n TRP 49 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.42 1u6l n TRP 49 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 31.31 31.40 1u6l n TRP 49 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1u6l n LYS 50 N 0.00 0.92 -1.87 -2.67 0.00 -1.26 -5.04 118.16 108.24 1u6l n LYS 50 Ca 0.00 -1.77 -0.39 0.00 0.00 0.00 0.00 58.31 56.15 1u6l n LYS 50 Cb 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 35.03 34.22 1u6l n LYS 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1u6l n ASP 51 N 0.31 7.47 -3.06 3.14 9.92 -1.26 -4.53 116.55 128.53 1u6l n ASP 51 Ca 0.04 -3.83 -0.03 0.00 -0.53 0.00 0.00 54.79 50.44 1u6l n ASP 51 Cb 0.72 -1.04 0.03 0.00 -0.64 0.00 0.00 41.12 40.18 1u6l n ASP 51 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1u6l n LYS 52 N -0.58 -0.76 -2.22 -1.24 4.76 -1.26 -4.73 118.16 112.13 1u6l n LYS 52 Ca 0.55 -0.14 -0.08 0.00 -2.87 0.00 0.00 58.31 55.76 1u6l n LYS 52 Cb 0.29 -0.24 0.00 0.00 -1.84 0.00 0.00 35.03 33.24 1u6l n LYS 52 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1u6l n ILE 53 N -2.95 0.00 -2.52 -0.18 2.08 -1.26 -2.61 119.36 111.92 1u6l n ILE 53 Ca 0.01 -0.67 -0.40 0.00 0.56 0.00 0.00 62.75 62.25 1u6l n ILE 53 Cb 0.06 -0.35 -0.05 0.00 -0.75 0.00 0.00 39.64 38.55 1u6l n ILE 53 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1u6l s HIS 55 N -0.84 3.64 0.03 1.39 5.65 -1.09 0.06 115.29 124.14 1u6l s HIS 55 Ca 0.09 1.73 -0.04 0.00 0.25 0.00 0.00 55.06 57.09 1u6l s HIS 55 Cb -0.01 -3.24 -0.02 0.00 -1.18 0.00 0.00 32.58 28.14 1u6l s HIS 55 CO 0.06 -0.41 0.05 0.00 -0.65 0.00 0.00 174.74 173.79 1u6l s ALA 56 N -1.11 0.01 -0.11 1.58 0.00 -0.12 -2.07 121.76 119.95 1u6l s ALA 56 Ca 0.44 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.79 1u6l s ALA 56 Cb -0.31 0.19 0.06 0.00 0.00 0.00 0.00 23.12 23.06 1u6l s ALA 56 CO 0.39 -0.25 0.23 0.50 0.00 0.00 0.00 175.76 176.63 1u6l s ARG 57 N -2.17 0.12 -0.24 0.00 3.52 -0.91 -1.57 118.95 117.71 1u6l s ARG 57 Ca -0.09 0.65 -0.03 0.00 -0.13 0.00 0.00 55.73 56.13 1u6l s ARG 57 Cb -0.04 -0.11 0.01 0.00 -1.56 0.00 0.00 34.95 33.24 1u6l s ARG 57 CO -0.03 -0.27 -0.04 -1.17 -0.81 0.00 0.00 175.30 172.99 1u6l s LEU 58 N 2.14 3.13 -0.07 -0.88 2.96 -0.55 -1.13 118.68 124.29 1u6l s LEU 58 Ca -0.01 -0.66 0.04 0.00 -0.22 0.00 0.00 54.13 53.29 1u6l s LEU 58 Cb -0.12 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 1u6l s LEU 58 CO -0.08 -0.09 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.00 1u6l s VAL 59 N 1.41 2.77 -0.14 1.68 1.01 0.13 -1.83 120.40 125.42 1u6l s VAL 59 Ca 0.03 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 1u6l s VAL 59 Cb -0.16 -2.08 0.04 0.00 0.00 0.00 0.00 36.38 34.19 1u6l s VAL 59 CO -0.03 0.57 0.01 -0.69 0.00 0.00 0.00 175.10 174.96 1u6l s VAL 60 N -0.37 0.54 0.00 2.92 1.01 0.56 -0.53 120.40 124.54 1u6l s VAL 60 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1u6l s VAL 60 Cb -0.12 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1u6l s VAL 60 CO 0.02 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1u6l n GLY 61 N 5.07 1.74 0.26 4.51 0.00 -1.26 0.07 105.19 115.58 1u6l n GLY 61 Ca -0.09 0.52 0.03 0.00 0.00 0.00 0.00 46.02 46.48 1u6l n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u6l n SER 62 N 6.61 1.86 -4.98 1.61 3.41 -1.26 -4.99 113.62 115.88 1u6l n SER 62 Ca 0.00 -1.53 -0.20 0.00 -0.26 0.00 0.00 58.87 56.88 1u6l n SER 62 Cb 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1u6l n SER 62 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1u6l s PHE 63 N -0.68 3.09 -0.09 7.33 0.40 0.11 -5.09 117.98 123.06 1u6l s PHE 63 Ca 0.09 -0.14 -0.06 0.00 -0.60 0.00 0.00 56.93 56.21 1u6l s PHE 63 Cb 0.05 -2.13 0.03 0.00 0.51 0.00 0.00 43.02 41.49 1u6l s PHE 63 CO 0.07 -0.16 0.23 0.00 0.70 0.00 0.00 175.22 176.06 1u6l s ALA 64 N -2.29 -0.53 0.40 5.36 0.00 -1.26 -0.32 121.76 123.11 1u6l s ALA 64 Ca 0.47 0.78 0.03 0.00 0.00 0.00 0.00 51.96 53.25 1u6l s ALA 64 Cb -0.10 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.60 1u6l s ALA 64 CO 0.33 -0.15 0.47 1.28 0.00 0.00 0.00 175.76 177.69 1u6l n LEU 65 N 3.56 0.00 0.00 0.00 4.77 -0.76 -4.11 117.00 120.46 1u6l n LEU 65 Ca -0.19 -1.28 0.00 0.00 -0.03 0.00 0.00 56.01 54.51 1u6l n LEU 65 Cb 0.56 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1u6l n LEU 65 CO 0.17 -0.66 0.00 0.00 -1.33 0.00 0.00 177.39 175.57 1u6l n ALA 67 N -2.74 0.00 -3.47 -1.18 0.00 -0.61 -1.48 120.51 111.03 1u6l n ALA 67 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 1u6l n ALA 67 Cb 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 1u6l n ALA 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u6l s SER 68 N 0.00 -0.57 -0.11 0.00 0.15 -0.72 -0.94 113.70 111.51 1u6l s SER 68 Ca 0.00 0.75 -0.25 0.00 0.70 0.00 0.00 55.95 57.15 1u6l s SER 68 Cb 0.00 0.70 -0.02 0.00 -1.71 0.00 0.00 66.02 64.98 1u6l s SER 68 CO 0.00 -0.47 0.80 -1.81 1.20 0.00 0.00 173.24 172.96 1u6l s ASP 69 N -0.81 7.02 0.25 5.45 1.01 0.11 -2.15 116.67 127.55 1u6l s ASP 69 Ca -0.09 1.24 -0.28 0.00 0.71 0.00 0.00 52.55 54.14 1u6l s ASP 69 Cb -0.02 -2.45 -0.15 0.00 1.01 0.00 0.00 42.92 41.30 1u6l s ASP 69 CO 0.06 -0.28 0.81 -3.20 0.21 0.00 0.00 175.17 172.78 1u6l n ASN 70 N 4.53 0.26 -4.67 0.27 4.05 0.14 -4.75 115.26 115.09 1u6l n ASN 70 Ca 0.03 1.16 -0.42 0.00 0.45 0.00 0.00 54.58 55.79 1u6l n ASN 70 Cb 0.50 -1.15 -0.03 0.00 1.23 0.00 0.00 39.78 40.33 1u6l n ASN 70 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1u6l s HIS 71 N -1.03 2.10 -2.00 1.20 3.76 -1.26 -4.88 115.29 113.18 1u6l s HIS 71 Ca 0.61 0.20 0.02 0.00 -0.15 0.00 0.00 55.06 55.74 1u6l s HIS 71 Cb -0.80 -3.95 0.13 0.00 1.11 0.00 0.00 32.58 29.07 1u6l s HIS 71 CO 0.58 -3.97 0.42 -0.35 -0.85 0.00 0.00 174.74 170.57 1u6l n PRO 72 N 6.55 0.16 0.00 8.40 -0.04 -1.26 -1.44 135.00 147.38 1u6l n PRO 72 Ca 0.17 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.77 1u6l n PRO 72 Cb 0.42 -1.21 0.61 0.00 -0.04 0.00 0.00 33.50 33.28 1u6l n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u6l n ALA 73 N -0.71 2.73 -3.30 0.55 0.00 -1.26 -4.84 120.51 113.68 1u6l n ALA 73 Ca 0.02 -0.34 -0.25 0.00 0.00 0.00 0.00 53.44 52.87 1u6l n ALA 73 Cb 0.01 -1.28 -0.16 0.00 0.00 0.00 0.00 19.45 18.02 1u6l n ALA 73 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1u6l s TYR 74 N -2.22 1.52 0.82 0.00 1.51 -0.52 -5.12 117.35 113.33 1u6l s TYR 74 Ca 0.35 -0.53 -0.14 0.00 -1.01 0.00 0.00 57.07 55.74 1u6l s TYR 74 Cb 0.21 -1.08 0.02 0.00 -0.11 0.00 0.00 41.96 40.99 1u6l s TYR 74 CO 0.41 -0.25 0.68 -0.35 -1.11 0.00 0.00 175.55 174.94 1u6l n PRO 75 N 3.62 0.08 -4.24 -1.71 -0.04 -1.26 -4.81 135.00 126.64 1u6l n PRO 75 Ca -0.21 0.08 -0.34 0.00 -0.04 0.00 0.00 63.50 62.99 1u6l n PRO 75 Cb 0.52 -2.01 -0.15 0.00 -0.04 0.00 0.00 33.50 31.82 1u6l n PRO 75 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1u6l s TYR 76 N -2.12 2.83 0.10 0.54 5.04 -1.26 -5.07 117.35 117.40 1u6l s TYR 76 Ca 0.65 -1.21 0.08 0.00 -2.44 0.00 0.00 57.07 54.15 1u6l s TYR 76 Cb -0.29 -1.95 -0.04 0.00 0.35 0.00 0.00 41.96 40.03 1u6l s TYR 76 CO 0.59 -0.60 -0.17 -2.00 -1.34 0.00 0.00 175.55 172.03 1u6l s GLU 77 N 1.14 1.91 0.00 4.97 -6.30 -1.26 -5.13 118.70 114.03 1u6l s GLU 77 Ca 0.01 -1.11 0.00 0.00 -2.50 0.00 0.00 54.97 51.37 1u6l s GLU 77 Cb -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 34.13 31.82 1u6l s GLU 77 CO -0.05 0.50 0.00 0.41 0.02 0.00 0.00 175.26 176.14 1u6l n GLY 78 N 0.94 -2.95 3.47 -1.50 0.00 -1.26 -4.97 105.19 98.91 1u6l n GLY 78 Ca -0.15 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 1u6l n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u6l s ILE 79 N 0.00 3.53 0.16 -0.61 1.09 -1.26 -5.00 121.20 119.12 1u6l s ILE 79 Ca 0.00 -0.50 0.00 0.00 -1.10 0.00 0.00 60.65 59.05 1u6l s ILE 79 Cb 0.00 -2.50 0.00 0.00 -1.06 0.00 0.00 42.46 38.90 1u6l s ILE 79 CO 0.00 0.53 0.00 0.29 -0.10 0.00 0.00 174.94 175.66 1u6l n LYS 80 N 3.25 0.00 0.30 2.79 4.01 -1.26 -4.91 118.16 122.34 1u6l n LYS 80 Ca -0.18 0.00 0.20 0.00 -0.51 0.00 0.00 58.31 57.82 1u6l n LYS 80 Cb 0.53 -0.24 0.97 0.00 -0.51 0.00 0.00 35.03 35.78 1u6l n LYS 80 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1u6l h GLY 81 N 0.00 0.00 -2.48 0.72 0.00 -2.04 -3.45 103.07 95.83 1u6l h GLY 81 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1u6l h GLY 81 CO 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 176.54 175.97 1u6l s SER 83 N -3.18 0.92 -0.49 0.00 1.04 -1.26 -4.71 113.70 106.02 1u6l s SER 83 Ca 0.38 -0.94 -0.18 0.00 0.48 0.00 0.00 55.95 55.69 1u6l s SER 83 Cb 0.06 0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.35 1u6l s SER 83 CO 0.14 -0.47 0.56 -0.63 0.98 0.00 0.00 173.24 173.82 1u6l s ILE 84 N -3.40 4.97 0.07 -1.02 1.09 -0.47 -4.98 121.20 117.46 1u6l s ILE 84 Ca 0.08 -0.56 -0.25 0.00 -1.10 0.00 0.00 60.65 58.81 1u6l s ILE 84 Cb 0.04 -4.23 -0.06 0.00 -1.06 0.00 0.00 42.46 37.15 1u6l s ILE 84 CO -0.05 -0.70 0.78 -0.55 -0.10 0.00 0.00 174.94 174.32 1u6l s SER 85 N 2.53 7.26 -0.40 3.58 0.15 -1.26 -4.49 113.70 121.08 1u6l s SER 85 Ca 0.13 1.51 -0.04 0.00 0.70 0.00 0.00 55.95 58.25 1u6l s SER 85 Cb -0.20 -2.48 0.10 0.00 -1.71 0.00 0.00 66.02 61.73 1u6l s SER 85 CO 0.11 0.04 0.19 -0.76 1.20 0.00 0.00 173.24 174.01 1u6l s LEU 86 N -0.20 5.06 -0.42 3.45 1.43 -1.26 -5.00 118.68 121.75 1u6l s LEU 86 Ca 0.39 -1.86 -0.25 0.00 -1.03 0.00 0.00 54.13 51.38 1u6l s LEU 86 Cb -0.21 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.19 1u6l s LEU 86 CO 0.24 -0.51 0.92 0.20 0.23 0.00 0.00 176.35 177.43 1u6l s ASN 87 N 1.80 6.58 0.15 2.29 0.01 -1.26 -1.64 114.94 122.87 1u6l s ASN 87 Ca 0.06 0.33 0.08 0.00 -0.71 0.00 0.00 52.86 52.62 1u6l s ASN 87 Cb -0.22 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 1u6l s ASN 87 CO -0.03 -0.95 -0.11 0.54 -1.51 0.00 0.00 177.10 175.04 1u6l s VAL 88 N 3.60 3.18 -2.15 1.60 0.11 -1.02 -5.01 120.40 120.71 1u6l s VAL 88 Ca 0.37 -1.54 0.17 0.00 -2.93 0.00 0.00 61.98 58.05 1u6l s VAL 88 Cb -0.11 -2.54 0.41 0.00 -1.53 0.00 0.00 36.38 32.61 1u6l s VAL 88 CO 0.23 -0.02 1.49 -0.90 -3.33 0.00 0.00 175.10 172.56 1u6l n ASP 89 N 0.32 1.25 -3.48 3.54 3.85 -1.26 -4.48 116.55 116.28 1u6l n ASP 89 Ca -0.12 -1.73 -0.15 0.00 -0.71 0.00 0.00 54.79 52.08 1u6l n ASP 89 Cb 0.54 -0.10 -0.04 0.00 -1.35 0.00 0.00 41.12 40.17 1u6l n ASP 89 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1u6l s SER 90 N -1.42 -0.62 0.36 -1.12 1.04 -1.26 -4.25 113.70 106.43 1u6l s SER 90 Ca 0.27 0.43 0.12 0.00 0.48 0.00 0.00 55.95 57.26 1u6l s SER 90 Cb 0.14 0.55 0.69 0.00 0.10 0.00 0.00 66.02 67.51 1u6l s SER 90 CO 0.21 -0.74 1.81 0.11 0.98 0.00 0.00 173.24 175.62 1u6l h LYS 91 N 2.60 0.02 -0.40 4.02 1.57 -1.82 -1.97 116.57 120.59 1u6l h LYS 91 Ca -0.29 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.38 1u6l h LYS 91 Cb 1.21 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1u6l h LYS 91 CO 0.38 0.40 -0.16 0.00 -0.57 0.00 0.00 179.45 179.50 1u6l h ALA 92 N 1.60 0.97 -0.04 3.86 0.00 -1.96 0.66 119.26 124.35 1u6l h ALA 92 Ca -0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.35 1u6l h ALA 92 Cb 0.67 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1u6l h ALA 92 CO 0.05 0.61 -0.89 0.93 0.00 0.00 0.00 179.25 179.95 1u6l h GLU 93 N 0.67 0.51 -0.69 0.00 3.07 -1.88 0.62 114.58 116.89 1u6l h GLU 93 Ca 0.11 -0.50 -0.05 0.00 -0.50 0.00 0.00 59.36 58.41 1u6l h GLU 93 Cb 0.64 0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 1u6l h GLU 93 CO 0.04 1.14 0.23 0.00 -1.40 0.00 0.00 179.01 179.02 1u6l h ALA 94 N 0.70 1.10 -0.38 3.43 0.00 -0.95 -0.65 119.26 122.50 1u6l h ALA 94 Ca -0.07 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1u6l h ALA 94 Cb 1.52 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1u6l h ALA 94 CO 0.16 0.62 -0.13 1.49 0.00 0.00 0.00 179.25 181.39 1u6l h GLU 95 N 1.01 0.77 -0.62 0.00 4.81 -0.44 0.19 114.58 120.30 1u6l h GLU 95 Ca 0.23 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1u6l h GLU 95 Cb 0.27 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1u6l h GLU 95 CO -0.01 0.93 0.29 -0.09 -0.73 0.00 0.00 179.01 179.39 1u6l h ARG 96 N 0.57 0.89 -0.30 1.92 2.43 -0.33 0.21 114.38 119.77 1u6l h ARG 96 Ca 0.09 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 1u6l h ARG 96 Cb 0.67 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1u6l h ARG 96 CO 0.05 0.72 -0.28 -0.07 -1.51 0.00 0.00 179.97 178.88 1u6l h LEU 97 N 0.85 0.77 -0.69 3.80 3.38 -1.06 -0.52 115.31 121.84 1u6l h LEU 97 Ca 0.21 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1u6l h LEU 97 Cb 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1u6l h LEU 97 CO -0.03 1.07 0.44 0.15 0.09 0.00 0.00 178.44 180.17 1u6l h PHE 98 N 0.47 0.88 -0.35 1.13 3.57 -0.31 -2.10 116.94 120.22 1u6l h PHE 98 Ca 0.05 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1u6l h PHE 98 Cb 0.84 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1u6l h PHE 98 CO 0.07 0.57 -0.01 -0.91 -2.23 0.00 0.00 178.31 175.80 1u6l h ASN 99 N 0.93 0.62 0.81 0.41 2.35 -0.47 -2.00 115.58 118.23 1u6l h ASN 99 Ca 0.25 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 1u6l h ASN 99 Cb -0.08 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.13 1u6l h ASN 99 CO -0.05 0.78 -0.42 0.00 -1.65 0.00 0.00 177.43 176.09 1u6l h ALA 100 N 0.86 -1.29 0.00 -0.83 0.00 -0.60 -2.86 119.26 114.54 1u6l h ALA 100 Ca 0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1u6l h ALA 100 Cb 0.47 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1u6l h ALA 100 CO 0.02 -1.22 -0.29 -0.07 0.00 0.00 0.00 179.25 177.70 1u6l h LEU 101 N -1.13 0.00 -0.31 0.00 3.38 -1.44 -3.09 115.31 112.73 1u6l h LEU 101 Ca -0.11 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 1u6l h LEU 101 Cb 0.87 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1u6l h LEU 101 CO 0.17 0.29 -0.86 0.00 0.09 0.00 0.00 178.44 178.13 1u6l h ALA 102 N 1.71 0.57 -1.37 1.53 0.00 -1.33 -3.39 119.26 116.99 1u6l h ALA 102 Ca -0.00 -0.74 -0.78 0.00 0.00 0.00 0.00 54.91 53.39 1u6l h ALA 102 Cb 0.83 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1u6l h ALA 102 CO 0.04 0.97 0.87 0.39 0.00 0.00 0.00 179.25 181.51 1u6l n GLU 103 N -3.61 0.83 0.00 0.00 1.02 -1.09 0.25 120.64 118.04 1u6l n GLU 103 Ca -0.02 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1u6l n GLU 103 Cb 0.80 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1u6l n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u6l n GLY 104 N 4.26 1.13 0.00 0.62 0.00 -1.26 -4.51 105.19 105.43 1u6l n GLY 104 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1u6l n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u6l n GLY 105 N -2.00 2.98 3.29 -0.02 0.00 0.14 -4.34 105.19 105.24 1u6l n GLY 105 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 1u6l n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u6l s SER 106 N 0.59 -0.17 -0.19 1.61 1.04 -0.58 -4.95 113.70 111.04 1u6l s SER 106 Ca 0.00 -0.28 -0.02 0.00 0.48 0.00 0.00 55.95 56.13 1u6l s SER 106 Cb 0.00 0.42 -0.00 0.00 0.10 0.00 0.00 66.02 66.54 1u6l s SER 106 CO 0.00 -0.76 -0.10 -0.69 0.98 0.00 0.00 173.24 172.68 1u6l s VAL 107 N -3.33 2.99 -2.05 5.02 1.01 -1.26 -1.39 120.40 121.39 1u6l s VAL 107 Ca 0.00 -0.63 0.15 0.00 0.00 0.00 0.00 61.98 61.50 1u6l s VAL 107 Cb 0.01 -2.33 0.40 0.00 0.00 0.00 0.00 36.38 34.46 1u6l s VAL 107 CO -0.08 0.47 1.35 0.00 0.00 0.00 0.00 175.10 176.83 1u6l n GLN 108 N 4.54 2.00 -5.22 2.72 3.00 -1.26 -4.98 117.38 118.17 1u6l n GLN 108 Ca -0.19 -1.54 -0.32 0.00 -0.01 0.00 0.00 57.00 54.94 1u6l n GLN 108 Cb 0.51 -1.35 -0.16 0.00 0.00 0.00 0.00 30.24 29.24 1u6l n GLN 108 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 1u6l s PRO 110 N -1.46 2.55 -0.15 -1.09 0.02 -1.26 -5.03 135.00 128.57 1u6l s PRO 110 Ca 0.30 -0.88 -0.38 0.00 0.02 0.00 0.00 61.00 60.05 1u6l s PRO 110 Cb 0.16 -2.19 -0.15 0.00 0.02 0.00 0.00 34.50 32.34 1u6l s PRO 110 CO 0.21 0.41 1.68 -0.11 -0.33 0.00 0.00 177.00 178.85 1u6l n LEU 111 N 2.88 2.46 0.00 -5.54 0.00 -1.25 -4.65 117.00 110.90 1u6l n LEU 111 Ca -0.17 1.07 0.00 0.00 0.00 0.00 0.00 56.01 56.90 1u6l n LEU 111 Cb 0.52 -1.21 0.00 0.00 0.00 0.00 0.00 43.42 42.73 1u6l n LEU 111 CO 0.25 -0.48 0.00 0.61 0.00 0.00 0.00 177.39 177.77 1u6l n GLY 112 N 3.84 -1.47 3.84 -3.96 0.00 -0.52 -4.85 105.19 102.08 1u6l n GLY 112 Ca 0.24 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 1u6l n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u6l s PRO 113 N -1.29 3.95 0.31 1.61 0.04 -1.22 -0.30 135.00 138.10 1u6l s PRO 113 Ca 0.00 0.95 0.06 0.00 0.04 0.00 0.00 61.00 62.05 1u6l s PRO 113 Cb 0.00 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1u6l s PRO 113 CO 0.00 -0.27 0.24 0.95 0.04 0.00 0.00 177.00 177.97 1u6l s THR 114 N -2.62 0.03 -1.96 1.26 -4.23 -0.66 -4.91 115.64 102.55 1u6l s THR 114 Ca 0.59 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.22 1u6l s THR 114 Cb -0.10 -2.49 0.33 0.00 1.34 0.00 0.00 72.50 71.58 1u6l s THR 114 CO 0.31 0.00 1.15 2.22 -0.54 0.00 0.00 174.62 177.76 1u6l n PHE 115 N -0.57 0.00 0.00 3.99 -1.74 -1.26 -2.82 117.46 115.06 1u6l n PHE 115 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.95 1u6l n PHE 115 Cb 0.63 -0.02 0.00 0.00 1.52 0.00 0.00 39.48 41.61 1u6l n PHE 115 CO 0.00 0.00 0.00 -2.67 -0.56 0.00 0.00 176.76 173.53 1u6l n TRP 116 N -1.02 0.00 -4.00 2.97 2.14 -1.26 -5.07 117.44 111.19 1u6l n TRP 116 Ca 0.09 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.57 1u6l n TRP 116 Cb 0.04 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.44 1u6l n TRP 116 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1u6l s ALA 117 N -0.33 0.20 0.17 -1.67 0.00 -1.13 -4.78 121.76 114.23 1u6l s ALA 117 Ca 0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 1u6l s ALA 117 Cb 0.00 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.37 1u6l s ALA 117 CO 0.00 -0.28 1.53 0.00 0.00 0.00 0.00 175.76 177.02 1u6l h ALA 118 N 3.86 0.68 -3.20 0.00 0.00 -0.92 -1.75 119.26 117.92 1u6l h ALA 118 Ca -0.33 -0.42 -0.24 0.00 0.00 0.00 0.00 54.91 53.92 1u6l h ALA 118 Cb 1.18 -0.14 -0.32 0.00 0.00 0.00 0.00 17.79 18.51 1u6l h ALA 118 CO 0.52 0.67 -0.58 -1.12 0.00 0.00 0.00 179.25 178.74 1u6l s SER 119 N -6.79 -0.05 -0.00 0.00 0.01 -0.14 -3.41 113.70 103.31 1u6l s SER 119 Ca -0.10 0.34 -0.02 0.00 1.31 0.00 0.00 55.95 57.47 1u6l s SER 119 Cb 0.12 0.23 -0.00 0.00 0.21 0.00 0.00 66.02 66.58 1u6l s SER 119 CO 0.87 -0.16 0.04 0.12 0.41 0.00 0.00 173.24 174.51 1u6l s PHE 120 N 1.30 0.07 0.00 2.43 5.36 0.58 -0.12 117.98 127.60 1u6l s PHE 120 Ca -0.08 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 1u6l s PHE 120 Cb -0.11 -0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.50 1u6l s PHE 120 CO -0.06 -0.13 0.00 0.41 -1.46 0.00 0.00 175.22 173.98 1u6l n GLY 121 N 2.28 3.57 0.00 13.12 0.00 0.28 -1.43 105.19 123.01 1u6l n GLY 121 Ca -0.18 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1u6l n GLY 121 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1u6l n PHE 123 N 0.00 0.00 -4.59 1.61 1.16 -0.90 -1.12 117.46 113.62 1u6l n PHE 123 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.24 1u6l n PHE 123 Cb 0.00 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.75 1u6l n PHE 123 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1u6l s THR 124 N -2.00 3.70 0.76 1.97 2.01 -0.49 0.54 115.64 122.14 1u6l s THR 124 Ca 0.00 -0.47 -0.08 0.00 0.31 0.00 0.00 61.69 61.45 1u6l s THR 124 Cb 0.00 -2.54 0.09 0.00 0.01 0.00 0.00 72.50 70.07 1u6l s THR 124 CO 0.00 0.57 1.09 1.51 -0.69 0.00 0.00 174.62 177.10 1u6l s ASP 125 N -0.50 4.44 0.00 3.53 1.47 0.33 -1.53 116.67 124.41 1u6l s ASP 125 Ca 0.07 0.39 0.19 0.00 1.18 0.00 0.00 52.55 54.39 1u6l s ASP 125 Cb -0.12 -0.89 1.09 0.00 -0.34 0.00 0.00 42.92 42.65 1u6l s ASP 125 CO 0.02 -1.86 1.57 -2.11 0.68 0.00 0.00 175.17 173.48 1u6l n ARG 126 N -3.11 0.48 -0.45 2.11 1.85 -1.26 -0.23 116.66 116.04 1u6l n ARG 126 Ca 0.10 0.04 0.08 0.00 -1.00 0.00 0.00 57.85 57.07 1u6l n ARG 126 Cb 0.60 -1.50 0.26 0.00 -1.05 0.00 0.00 32.46 30.77 1u6l n ARG 126 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1u6l n PHE 127 N -1.12 1.00 -0.72 2.89 3.01 -1.26 -4.95 117.46 116.32 1u6l n PHE 127 Ca 0.12 -0.75 0.00 0.00 1.01 0.00 0.00 57.45 57.83 1u6l n PHE 127 Cb 0.10 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 1u6l n PHE 127 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1u6l n GLY 128 N -0.01 0.58 3.43 1.37 0.00 0.68 -4.95 105.19 106.29 1u6l n GLY 128 Ca 0.20 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 1u6l n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u6l s VAL 129 N -2.00 4.00 -0.17 1.61 1.01 -1.24 -4.41 120.40 119.21 1u6l s VAL 129 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 1u6l s VAL 129 Cb 0.00 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1u6l s VAL 129 CO 0.00 0.40 1.17 0.00 0.00 0.00 0.00 175.10 176.67 1u6l s ALA 130 N 1.25 3.63 0.00 5.51 0.00 -1.26 -0.52 121.76 130.37 1u6l s ALA 130 Ca 0.04 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1u6l s ALA 130 Cb -0.15 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1u6l s ALA 130 CO 0.02 -1.04 0.00 0.91 0.00 0.00 0.00 175.76 175.64 1u6l n TRP 131 N 6.23 0.00 -3.64 0.00 7.02 0.19 -1.37 117.44 125.87 1u6l n TRP 131 Ca 0.13 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.51 1u6l n TRP 131 Cb 0.46 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.28 1u6l n TRP 131 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1u6l s VAL 133 N 2.56 0.00 -0.22 -0.99 1.01 -0.28 -2.12 120.40 120.36 1u6l s VAL 133 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 1u6l s VAL 133 Cb 0.00 -1.00 0.10 0.00 0.00 0.00 0.00 36.38 35.48 1u6l s VAL 133 CO 0.00 0.00 0.48 0.21 0.00 0.00 0.00 175.10 175.79 1u6l s ASN 134 N 0.67 -0.48 -0.22 3.32 3.84 -0.65 -0.55 114.94 120.87 1u6l s ASN 134 Ca -0.02 1.13 -0.00 0.00 0.21 0.00 0.00 52.86 54.18 1u6l s ASN 134 Cb -0.05 1.56 0.06 0.00 -0.55 0.00 0.00 41.25 42.27 1u6l s ASN 134 CO -0.07 -0.23 -0.03 0.00 -2.79 0.00 0.00 177.10 173.98 1u6l h GLU 136 N 8.04 0.19 0.00 0.00 5.08 -1.84 0.86 114.58 126.91 1u6l h GLU 136 Ca -0.18 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1u6l h GLU 136 Cb 1.09 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1u6l h GLU 136 CO 0.39 0.84 0.00 1.04 -1.00 0.00 0.00 179.01 180.28 1u6l n GLN 137 N -4.55 0.00 0.00 2.33 6.02 -1.26 -3.37 117.38 116.55 1u6l n GLN 137 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1u6l n GLN 137 Cb 0.45 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.71 1u6l n GLN 137 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65