#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 -0.40 -4.38 -3.43 0.00 -1.26 -4.97 117.00 102.55 1u6l n LEU 3 Ca 0.00 1.12 -0.34 0.00 0.00 0.00 0.00 56.01 56.79 1u6l n LEU 3 Cb 0.00 -1.61 -0.14 0.00 0.00 0.00 0.00 43.42 41.68 1u6l n LEU 3 CO 0.00 -1.52 -0.39 -1.10 0.00 0.00 0.00 177.39 174.38 1u6l s GLN 4 N -0.04 3.47 -0.08 1.96 -1.52 -1.26 -5.08 119.66 117.11 1u6l s GLN 4 Ca 0.00 -0.61 -0.16 0.00 -1.95 0.00 0.00 55.36 52.65 1u6l s GLN 4 Cb 0.00 -2.90 -0.05 0.00 -0.22 0.00 0.00 33.01 29.84 1u6l s GLN 4 CO 0.00 0.02 0.40 0.42 -0.25 0.00 0.00 175.29 175.88 1u6l s ILE 5 N 0.91 5.16 -0.14 1.08 1.09 -1.26 -5.07 121.20 122.97 1u6l s ILE 5 Ca -0.01 0.80 -0.05 0.00 -1.10 0.00 0.00 60.65 60.29 1u6l s ILE 5 Cb -0.15 -3.72 0.07 0.00 -1.06 0.00 0.00 42.46 37.60 1u6l s ILE 5 CO 0.01 0.45 0.26 -0.69 -0.10 0.00 0.00 174.94 174.87 1u6l s VAL 6 N -0.13 -0.41 0.10 2.92 1.01 -1.26 -4.81 120.40 117.82 1u6l s VAL 6 Ca 0.23 0.25 -0.31 0.00 0.00 0.00 0.00 61.98 62.15 1u6l s VAL 6 Cb -0.15 -0.46 -0.07 0.00 0.00 0.00 0.00 36.38 35.70 1u6l s VAL 6 CO 0.10 0.10 1.29 -2.16 0.00 0.00 0.00 175.10 174.42 1u6l s PRO 7 N 2.42 4.38 -0.36 2.72 0.04 -1.26 -5.00 135.00 137.94 1u6l s PRO 7 Ca 0.02 1.93 -0.06 0.00 0.04 0.00 0.00 61.00 62.93 1u6l s PRO 7 Cb -0.12 -3.29 0.06 0.00 0.04 0.00 0.00 34.50 31.19 1u6l s PRO 7 CO -0.09 -0.33 0.14 -0.47 0.04 0.00 0.00 177.00 176.29 1u6l s TYR 8 N 0.94 3.31 0.18 0.56 5.04 -1.26 -4.67 117.35 121.45 1u6l s TYR 8 Ca 0.61 -1.62 -0.25 0.00 -2.44 0.00 0.00 57.07 53.37 1u6l s TYR 8 Cb -0.33 -2.51 -0.08 0.00 0.35 0.00 0.00 41.96 39.38 1u6l s TYR 8 CO 0.31 -0.79 0.77 -0.51 -1.34 0.00 0.00 175.55 173.99 1u6l s LEU 9 N 1.36 4.56 -0.15 6.97 1.43 -1.26 -4.93 118.68 126.64 1u6l s LEU 9 Ca 0.00 1.62 -0.01 0.00 -1.03 0.00 0.00 54.13 54.71 1u6l s LEU 9 Cb -0.21 -3.35 -0.01 0.00 0.03 0.00 0.00 46.19 42.65 1u6l s LEU 9 CO 0.01 0.18 -0.10 -0.63 0.23 0.00 0.00 176.35 176.05 1u6l s ILE 10 N -1.21 3.23 0.32 -0.59 1.01 -1.26 -2.84 121.20 119.86 1u6l s ILE 10 Ca 0.37 -0.58 0.09 0.00 0.00 0.00 0.00 60.65 60.53 1u6l s ILE 10 Cb -0.22 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 1u6l s ILE 10 CO 0.25 0.50 0.05 -0.36 0.00 0.00 0.00 174.94 175.38 1u6l s PHE 11 N 0.61 2.63 -0.84 3.97 0.40 -0.27 -4.82 117.98 119.66 1u6l s PHE 11 Ca -0.06 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1u6l s PHE 11 Cb -0.15 -1.46 0.30 0.00 0.51 0.00 0.00 43.02 42.22 1u6l s PHE 11 CO 0.03 0.47 1.24 -1.71 0.70 0.00 0.00 175.22 175.95 1u6l n ASN 12 N -1.00 5.47 0.00 1.36 4.05 -1.26 -0.29 115.26 123.59 1u6l n ASN 12 Ca -0.04 -3.54 0.00 0.00 0.45 0.00 0.00 54.58 51.45 1u6l n ASN 12 Cb 0.61 -0.93 0.00 0.00 1.23 0.00 0.00 39.78 40.69 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 0.56 3.19 1.99 8.20 0.00 -1.26 -4.92 105.19 112.95 1u6l n GLY 13 Ca 0.33 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.11 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 5.29 -0.06 1.61 6.94 -1.26 -4.71 115.26 123.06 1u6l n ASN 14 Ca 0.00 -3.76 -0.13 0.00 -0.02 0.00 0.00 54.58 50.67 1u6l n ASN 14 Cb 0.00 -0.73 -0.06 0.00 -2.36 0.00 0.00 39.78 36.63 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 0.13 -0.55 -0.73 0.00 2.43 -1.97 -0.60 114.38 113.10 1u6l h ARG 16 Ca 0.03 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.36 1u6l h ARG 16 Cb 0.77 0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 30.35 1u6l h ARG 16 CO 0.05 -0.37 0.31 1.49 -1.51 0.00 0.00 179.97 179.94 1u6l h GLU 17 N -0.57 0.46 0.69 0.20 4.81 -1.92 0.53 114.58 118.77 1u6l h GLU 17 Ca 0.02 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1u6l h GLU 17 Cb 0.64 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.93 1u6l h GLU 17 CO -0.38 0.31 -0.33 0.00 -0.73 0.00 0.00 179.01 177.88 1u6l h ALA 18 N 1.51 -0.94 -0.69 2.92 0.00 -1.13 -0.92 119.26 120.01 1u6l h ALA 18 Ca 0.39 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1u6l h ALA 18 Cb 0.54 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1u6l h ALA 18 CO -0.36 -0.87 0.46 0.74 0.00 0.00 0.00 179.25 179.21 1u6l h PHE 19 N -1.22 0.57 0.00 0.00 -1.00 -1.00 0.69 116.94 114.97 1u6l h PHE 19 Ca -0.09 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.70 1u6l h PHE 19 Cb 0.71 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 40.08 1u6l h PHE 19 CO 0.00 0.26 -0.00 0.77 -1.61 0.00 0.00 178.31 177.73 1u6l h SER 20 N 0.53 -0.01 -0.95 2.17 0.02 -0.85 0.93 113.55 115.39 1u6l h SER 20 Ca 0.32 0.00 0.29 0.00 -0.84 0.00 0.00 61.79 61.56 1u6l h SER 20 Cb 0.54 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.93 1u6l h SER 20 CO -0.10 -0.00 0.29 0.00 -1.14 0.00 0.00 176.83 175.87 1u6l h TYR 22 N 0.14 -0.13 -0.75 0.00 0.05 0.60 -1.07 116.97 115.81 1u6l h TYR 22 Ca 0.64 -0.00 0.16 0.00 0.05 0.00 0.00 58.73 59.59 1u6l h TYR 22 Cb 1.43 0.04 -0.11 0.00 1.01 0.00 0.00 36.73 39.10 1u6l h TYR 22 CO -0.24 -0.07 0.19 1.25 -1.05 0.00 0.00 178.16 178.25 1u6l h HIS 23 N -0.15 0.30 0.86 4.88 2.76 0.52 -0.47 115.15 123.84 1u6l h HIS 23 Ca -0.01 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.16 1u6l h HIS 23 Cb 0.12 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 29.07 1u6l h HIS 23 CO -0.07 -0.08 -0.41 0.37 -1.30 0.00 0.00 177.93 176.44 1u6l h GLN 24 N 0.28 -1.11 -0.35 5.26 4.15 -0.57 -1.68 115.11 121.09 1u6l h GLN 24 Ca 0.43 0.08 -0.09 0.00 0.77 0.00 0.00 58.65 59.83 1u6l h GLN 24 Cb 0.73 0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 1u6l h GLN 24 CO -0.51 -0.74 -0.12 0.45 -1.93 0.00 0.00 178.83 175.98 1u6l h HIS 25 N -1.27 0.80 0.00 3.99 3.86 -0.82 -2.77 115.15 118.94 1u6l h HIS 25 Ca -0.12 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1u6l h HIS 25 Cb 0.88 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1u6l h HIS 25 CO 0.01 0.88 -0.28 1.28 0.86 0.00 0.00 177.93 180.68 1u6l n LEU 26 N -4.37 0.38 0.00 2.43 4.32 -0.22 -5.01 117.00 114.54 1u6l n LEU 26 Ca -0.02 0.28 0.00 0.00 -0.02 0.00 0.00 56.01 56.25 1u6l n LEU 26 Cb 0.37 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1u6l n LEU 26 CO 0.42 0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 1u6l n GLY 27 N 1.45 2.44 7.00 -0.72 0.00 -0.63 -5.01 105.19 109.72 1u6l n GLY 27 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.48 3.45 -0.02 0.00 -1.26 -4.62 105.19 102.27 1u6l n GLY 28 Ca 0.00 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 3.79 -0.82 2.61 2.01 -0.15 -4.96 115.64 118.11 1u6l s THR 29 Ca 0.00 -0.38 -0.19 0.00 0.31 0.00 0.00 61.69 61.43 1u6l s THR 29 Cb 0.00 -2.68 0.12 0.00 0.01 0.00 0.00 72.50 69.95 1u6l s THR 29 CO 0.00 0.47 1.00 -0.22 -0.69 0.00 0.00 174.62 175.18 1u6l s LEU 30 N 0.70 5.15 0.59 4.42 0.20 -1.26 -0.61 118.68 127.87 1u6l s LEU 30 Ca -0.02 -1.83 -0.07 0.00 0.69 0.00 0.00 54.13 52.90 1u6l s LEU 30 Cb -0.14 -2.37 -0.01 0.00 -0.43 0.00 0.00 46.19 43.24 1u6l s LEU 30 CO 0.02 -1.09 0.92 -1.61 -0.29 0.00 0.00 176.35 174.30 1u6l s GLU 31 N 2.68 3.16 0.50 1.98 2.02 -0.67 -4.98 118.70 123.38 1u6l s GLU 31 Ca 0.26 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.48 1u6l s GLU 31 Cb -0.10 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1u6l s GLU 31 CO -0.04 -0.61 0.00 0.00 0.02 0.00 0.00 175.26 174.63 1u6l n ALA 32 N -2.60 -1.83 0.00 5.21 0.00 -1.26 -2.89 120.51 117.15 1u6l n ALA 32 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1u6l n ALA 32 Cb 0.56 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1u6l n ALA 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1u6l n LEU 34 N -2.54 0.00 -4.90 0.00 7.94 -0.19 -2.51 117.00 114.80 1u6l n LEU 34 Ca -0.00 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.62 1u6l n LEU 34 Cb 0.41 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.41 1u6l n LEU 34 CO 0.00 0.00 0.66 -2.16 -1.11 0.00 0.00 177.39 174.78 1u6l s PRO 35 N 0.00 2.67 0.21 1.96 0.04 -1.26 -2.18 135.00 136.44 1u6l s PRO 35 Ca 0.00 0.15 -0.09 0.00 0.04 0.00 0.00 61.00 61.10 1u6l s PRO 35 Cb 0.00 -2.12 0.15 0.00 0.04 0.00 0.00 34.50 32.57 1u6l s PRO 35 CO 0.00 -1.02 1.80 0.74 0.04 0.00 0.00 177.00 178.56 1u6l h PHE 36 N -0.53 1.11 -0.86 0.56 -1.00 -0.59 -3.03 116.94 112.60 1u6l h PHE 36 Ca -0.45 -0.06 0.22 0.00 2.81 0.00 0.00 57.97 60.49 1u6l h PHE 36 Cb 1.27 -0.34 -0.13 0.00 3.61 0.00 0.00 35.95 40.36 1u6l h PHE 36 CO 0.44 0.82 0.30 0.78 -1.61 0.00 0.00 178.31 179.03 1u6l h GLY 37 N 1.09 1.38 -1.92 -1.45 0.00 -1.85 0.16 103.07 100.49 1u6l h GLY 37 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1u6l h GLY 37 CO -0.03 -0.30 0.00 1.22 0.00 0.00 0.00 176.54 177.43 1u6l n ASP 38 N -5.13 2.84 -4.72 0.19 10.43 -1.20 -4.97 116.55 113.98 1u6l n ASP 38 Ca 0.20 -1.97 -0.32 0.00 2.57 0.00 0.00 54.79 55.27 1u6l n ASP 38 Cb 0.63 -0.33 0.12 0.00 1.84 0.00 0.00 41.12 43.38 1u6l n ASP 38 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1u6l s SER 39 N -1.10 3.88 -0.22 -2.24 1.04 0.57 -4.94 113.70 110.69 1u6l s SER 39 Ca 0.36 2.07 -0.00 0.00 0.48 0.00 0.00 55.95 58.86 1u6l s SER 39 Cb 0.19 -2.55 0.19 0.00 0.10 0.00 0.00 66.02 63.95 1u6l s SER 39 CO 0.25 -2.46 1.80 -0.81 0.98 0.00 0.00 173.24 173.00 1u6l n PRO 40 N -3.57 1.58 -1.58 4.02 -0.04 -1.26 -5.07 135.00 129.07 1u6l n PRO 40 Ca 0.11 -1.19 -0.01 0.00 -0.04 0.00 0.00 63.50 62.36 1u6l n PRO 40 Cb 0.52 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1u6l n PRO 40 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1u6l n GLU 41 N 0.37 0.12 -0.00 0.54 -0.00 -1.26 -5.26 120.64 115.14 1u6l n GLU 41 Ca 0.23 -0.31 0.00 0.00 -0.00 0.00 0.00 57.16 57.08 1u6l n GLU 41 Cb 0.68 0.34 0.00 0.00 -0.00 0.00 0.00 31.44 32.46 1u6l n GLU 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1u6l n PRO 46 N -0.07 -0.01 -3.40 3.44 -0.04 -1.26 -5.11 135.00 128.55 1u6l n PRO 46 Ca -0.01 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.33 1u6l n PRO 46 Cb 0.07 -0.01 0.01 0.00 -0.04 0.00 0.00 33.50 33.53 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 -1.45 -2.61 -0.34 0.55 0.00 -1.26 -4.97 120.51 110.43 1u6l n ALA 47 Ca 0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.07 1u6l n ALA 47 Cb 0.00 -1.87 0.24 0.00 0.00 0.00 0.00 19.45 17.82 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 -2.25 -3.68 0.00 0.00 9.92 -1.26 -3.21 116.55 116.07 1u6l n ASP 48 Ca -0.12 -0.68 0.00 0.00 -0.53 0.00 0.00 54.79 53.46 1u6l n ASP 48 Cb 0.58 -0.93 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 1u6l n ASP 48 CO 0.00 0.00 0.00 -2.67 0.13 0.00 0.00 177.20 174.66 1u6l n TRP 49 N -5.30 0.00 -3.44 1.24 2.14 -1.26 -4.91 117.44 105.90 1u6l n TRP 49 Ca 0.10 0.00 -0.27 0.00 2.07 0.00 0.00 57.50 59.40 1u6l n TRP 49 Cb 0.50 -0.95 -0.10 0.00 -0.81 0.00 0.00 31.31 29.95 1u6l n TRP 49 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 1u6l s LYS 50 N -0.81 1.03 -1.07 -2.67 2.20 -1.20 -5.02 119.74 112.21 1u6l s LYS 50 Ca 0.00 -2.19 -0.04 0.00 -0.36 0.00 0.00 55.97 53.38 1u6l s LYS 50 Cb 0.00 -1.59 0.31 0.00 -1.51 0.00 0.00 37.83 35.04 1u6l s LYS 50 CO 0.00 -1.37 1.45 -0.25 -0.36 0.00 0.00 175.35 174.82 1u6l n ASP 51 N 2.81 6.33 -0.81 1.43 8.00 -1.26 -4.74 116.55 128.31 1u6l n ASP 51 Ca 0.28 -3.41 0.00 0.00 0.71 0.00 0.00 54.79 52.37 1u6l n ASP 51 Cb 0.46 -1.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 1u6l n ASP 51 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1u6l n LYS 52 N 1.32 2.30 -2.73 -1.24 4.76 -1.26 -4.70 118.16 116.62 1u6l n LYS 52 Ca 0.26 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.49 1u6l n LYS 52 Cb 0.33 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.57 1u6l n LYS 52 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1u6l s ILE 53 N 1.44 2.55 0.11 -0.18 -1.09 -1.26 0.13 121.20 122.91 1u6l s ILE 53 Ca 0.00 -0.74 -0.31 0.00 -2.23 0.00 0.00 60.65 57.37 1u6l s ILE 53 Cb 0.00 -2.82 -0.08 0.00 -1.58 0.00 0.00 42.46 37.99 1u6l s ILE 53 CO 0.00 0.00 1.35 -2.28 -1.23 0.00 0.00 174.94 172.78 1u6l s HIS 55 N -2.77 3.28 -0.00 3.97 5.65 -0.92 0.24 115.29 124.74 1u6l s HIS 55 Ca 0.59 1.04 0.00 0.00 0.25 0.00 0.00 55.06 56.94 1u6l s HIS 55 Cb -0.09 -3.63 0.00 0.00 -1.18 0.00 0.00 32.58 27.68 1u6l s HIS 55 CO 0.39 -2.14 -0.01 0.00 -0.65 0.00 0.00 174.74 172.33 1u6l s ALA 56 N 1.01 0.05 -0.04 1.58 0.00 0.16 -1.02 121.76 123.50 1u6l s ALA 56 Ca 0.63 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.57 1u6l s ALA 56 Cb -0.35 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 22.77 1u6l s ALA 56 CO 0.31 0.01 0.02 -0.98 0.00 0.00 0.00 175.76 175.12 1u6l s ARG 57 N 0.02 0.20 -0.21 0.00 1.70 -1.04 -0.91 118.95 118.70 1u6l s ARG 57 Ca -0.00 0.17 -0.02 0.00 -0.47 0.00 0.00 55.73 55.41 1u6l s ARG 57 Cb -0.01 -0.52 0.00 0.00 -0.57 0.00 0.00 34.95 33.85 1u6l s ARG 57 CO -0.00 -0.21 -0.09 -1.17 -1.08 0.00 0.00 175.30 172.74 1u6l s LEU 58 N 1.45 2.66 -0.19 -1.89 2.96 0.51 -1.68 118.68 122.49 1u6l s LEU 58 Ca -0.04 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.38 1u6l s LEU 58 Cb -0.13 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.92 1u6l s LEU 58 CO -0.03 -0.02 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.14 1u6l s VAL 59 N 1.41 2.49 -0.26 1.68 1.01 0.22 -0.75 120.40 126.21 1u6l s VAL 59 Ca 0.05 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1u6l s VAL 59 Cb -0.14 -2.08 0.07 0.00 0.00 0.00 0.00 36.38 34.23 1u6l s VAL 59 CO -0.06 0.50 -0.05 -0.69 0.00 0.00 0.00 175.10 174.80 1u6l s VAL 60 N 1.28 1.86 0.00 2.92 1.01 -0.62 -0.98 120.40 125.87 1u6l s VAL 60 Ca 0.04 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.47 1u6l s VAL 60 Cb -0.14 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1u6l s VAL 60 CO -0.09 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.46 1u6l n GLY 61 N 4.52 3.88 0.97 4.51 0.00 -1.26 -1.60 105.19 116.22 1u6l n GLY 61 Ca -0.10 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 7.70 3.05 -4.97 1.61 3.41 -1.26 -4.97 113.62 118.19 1u6l n SER 62 Ca 0.00 -1.96 -0.19 0.00 -0.26 0.00 0.00 58.87 56.46 1u6l n SER 62 Cb 0.00 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.78 3.11 0.20 7.33 0.40 -0.62 -5.09 117.98 121.52 1u6l s PHE 63 Ca 0.30 -0.22 -0.12 0.00 -0.60 0.00 0.00 56.93 56.29 1u6l s PHE 63 Cb 0.20 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.79 1u6l s PHE 63 CO 0.29 0.04 0.40 0.00 0.70 0.00 0.00 175.22 176.65 1u6l s ALA 64 N -2.18 -0.29 0.22 5.36 0.00 -1.26 -1.58 121.76 122.03 1u6l s ALA 64 Ca 0.44 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.70 1u6l s ALA 64 Cb -0.09 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 1u6l s ALA 64 CO 0.30 -0.74 0.10 1.28 0.00 0.00 0.00 175.76 176.70 1u6l n LEU 65 N -0.29 0.00 0.00 0.00 4.77 0.07 -4.40 117.00 117.15 1u6l n LEU 65 Ca -0.06 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 1u6l n LEU 65 Cb 0.63 0.65 0.00 0.00 -2.33 0.00 0.00 43.42 42.36 1u6l n LEU 65 CO 0.22 -0.28 0.00 0.00 -1.33 0.00 0.00 177.39 176.00 1u6l n ALA 67 N -1.88 0.00 -3.56 -1.18 0.00 -0.09 -0.37 120.51 113.44 1u6l n ALA 67 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 1u6l n ALA 67 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 1u6l n ALA 67 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u6l s SER 68 N 0.00 -0.47 0.37 0.00 1.04 -1.13 0.38 113.70 113.90 1u6l s SER 68 Ca 0.00 -0.19 -0.24 0.00 0.48 0.00 0.00 55.95 56.00 1u6l s SER 68 Cb 0.00 0.63 -0.10 0.00 0.10 0.00 0.00 66.02 66.65 1u6l s SER 68 CO 0.00 -1.07 0.98 -1.81 0.98 0.00 0.00 173.24 172.32 1u6l s ASP 69 N -2.79 7.06 0.72 7.02 1.01 0.14 -1.12 116.67 128.71 1u6l s ASP 69 Ca 0.04 1.86 -0.13 0.00 0.71 0.00 0.00 52.55 55.04 1u6l s ASP 69 Cb -0.02 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.36 1u6l s ASP 69 CO -0.07 -0.27 1.10 0.54 0.21 0.00 0.00 175.17 176.68 1u6l s ASN 70 N -1.73 4.77 0.53 0.27 4.22 0.60 -4.82 114.94 118.78 1u6l s ASN 70 Ca 0.55 1.93 -0.22 0.00 -2.14 0.00 0.00 52.86 52.98 1u6l s ASN 70 Cb -0.17 -2.54 -0.05 0.00 1.28 0.00 0.00 41.25 39.76 1u6l s ASN 70 CO 0.22 -1.86 1.26 -1.00 -2.04 0.00 0.00 177.10 173.69 1u6l s HIS 71 N -2.60 2.50 -0.17 1.54 3.76 -1.26 -4.92 115.29 114.14 1u6l s HIS 71 Ca 0.64 1.46 0.19 0.00 -0.15 0.00 0.00 55.06 57.20 1u6l s HIS 71 Cb -0.19 -3.60 0.34 0.00 1.11 0.00 0.00 32.58 30.24 1u6l s HIS 71 CO 0.49 -2.30 1.58 -1.35 -0.85 0.00 0.00 174.74 172.31 1u6l h PRO 72 N 1.54 0.00 0.08 8.40 0.11 -1.97 -3.23 132.00 136.93 1u6l h PRO 72 Ca -0.50 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1u6l h PRO 72 Cb 1.28 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 1u6l h PRO 72 CO 0.58 0.30 -0.50 0.00 -0.21 0.00 0.00 178.00 178.16 1u6l h ALA 73 N 1.70 -0.96 -2.75 -0.75 0.00 -2.03 -3.42 119.26 111.05 1u6l h ALA 73 Ca -0.00 -0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.28 1u6l h ALA 73 Cb 1.13 0.89 0.06 0.00 0.00 0.00 0.00 17.79 19.88 1u6l h ALA 73 CO 0.04 -1.09 0.76 0.71 0.00 0.00 0.00 179.25 179.66 1u6l s TYR 74 N -5.59 3.01 0.63 0.00 1.51 -1.22 -4.98 117.35 110.71 1u6l s TYR 74 Ca -0.15 1.03 -0.16 0.00 -1.01 0.00 0.00 57.07 56.78 1u6l s TYR 74 Cb 0.06 -3.83 -0.01 0.00 -0.11 0.00 0.00 41.96 38.07 1u6l s TYR 74 CO 0.57 -2.67 1.12 -2.14 -1.11 0.00 0.00 175.55 171.32 1u6l s PRO 75 N -0.44 2.92 -0.22 -1.71 0.02 -1.26 -4.80 135.00 129.51 1u6l s PRO 75 Ca 0.59 1.46 0.00 0.00 0.02 0.00 0.00 61.00 63.07 1u6l s PRO 75 Cb -0.42 -1.96 0.03 0.00 0.02 0.00 0.00 34.50 32.17 1u6l s PRO 75 CO 0.44 -1.16 -0.13 -0.47 -0.33 0.00 0.00 177.00 175.35 1u6l s TYR 76 N -2.18 2.99 -0.11 6.54 5.04 -1.26 -5.06 117.35 123.30 1u6l s TYR 76 Ca 0.69 -1.73 -0.05 0.00 -2.44 0.00 0.00 57.07 53.54 1u6l s TYR 76 Cb -0.22 -1.98 -0.04 0.00 0.35 0.00 0.00 41.96 40.08 1u6l s TYR 76 CO 0.38 -0.78 0.09 -1.83 -1.34 0.00 0.00 175.55 172.07 1u6l s GLU 77 N 1.27 3.35 0.00 4.97 -1.05 -1.26 -5.11 118.70 120.86 1u6l s GLU 77 Ca 0.00 -0.23 0.00 0.00 -0.15 0.00 0.00 54.97 54.59 1u6l s GLU 77 Cb -0.16 -3.07 0.00 0.00 -0.44 0.00 0.00 34.13 30.46 1u6l s GLU 77 CO -0.08 0.71 0.00 0.41 0.95 0.00 0.00 175.26 177.25 1u6l n GLY 78 N 2.16 -2.12 3.58 -3.83 0.00 -1.26 -4.91 105.19 98.81 1u6l n GLY 78 Ca -0.19 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.06 5.25 0.00 -0.61 1.09 -1.26 -4.98 121.20 120.63 1u6l s ILE 79 Ca 0.00 0.23 0.00 0.00 -1.10 0.00 0.00 60.65 59.78 1u6l s ILE 79 Cb 0.00 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.77 1u6l s ILE 79 CO 0.00 0.16 0.00 0.29 -0.10 0.00 0.00 174.94 175.29 1u6l n LYS 80 N 5.18 0.00 -0.32 2.79 5.02 -1.26 -4.85 118.16 124.72 1u6l n LYS 80 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1u6l n LYS 80 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1u6l n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u6l n GLY 81 N 3.36 1.91 3.62 0.72 0.00 -1.26 -4.74 105.19 108.80 1u6l n GLY 81 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1u6l n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u6l s SER 83 N -0.36 -0.29 -0.20 0.00 1.04 -1.26 -4.47 113.70 108.16 1u6l s SER 83 Ca 0.03 0.56 -0.27 0.00 0.48 0.00 0.00 55.95 56.75 1u6l s SER 83 Cb -0.03 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.64 1u6l s SER 83 CO -0.06 -0.10 0.93 -0.63 0.98 0.00 0.00 173.24 174.36 1u6l s ILE 84 N 0.27 4.78 -0.21 -1.02 -1.09 -0.77 -4.97 121.20 118.20 1u6l s ILE 84 Ca -0.01 1.83 -0.20 0.00 -2.23 0.00 0.00 60.65 60.04 1u6l s ILE 84 Cb -0.03 -4.22 -0.03 0.00 -1.58 0.00 0.00 42.46 36.60 1u6l s ILE 84 CO -0.01 -0.07 0.59 -0.55 -1.23 0.00 0.00 174.94 173.67 1u6l s SER 85 N 1.20 6.63 -0.23 3.58 0.15 -1.26 -4.40 113.70 119.37 1u6l s SER 85 Ca 0.41 0.76 -0.14 0.00 0.70 0.00 0.00 55.95 57.68 1u6l s SER 85 Cb -0.16 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 1u6l s SER 85 CO 0.10 -0.26 0.33 -0.76 1.20 0.00 0.00 173.24 173.85 1u6l s LEU 86 N 1.92 4.12 -0.15 3.45 1.43 -1.26 -5.01 118.68 123.18 1u6l s LEU 86 Ca 0.27 0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 53.72 1u6l s LEU 86 Cb -0.16 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 1u6l s LEU 86 CO 0.10 -0.06 -0.14 0.20 0.23 0.00 0.00 176.35 176.68 1u6l s ASN 87 N 1.19 3.84 0.31 2.29 0.01 -1.26 -0.60 114.94 120.72 1u6l s ASN 87 Ca 0.15 -0.41 0.04 0.00 -0.71 0.00 0.00 52.86 51.93 1u6l s ASN 87 Cb -0.15 -1.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.89 1u6l s ASN 87 CO 0.08 0.11 0.29 0.54 -1.51 0.00 0.00 177.10 176.61 1u6l s VAL 88 N 0.69 0.00 -0.04 1.60 0.11 -0.38 -4.98 120.40 117.39 1u6l s VAL 88 Ca -0.07 -1.91 0.13 0.00 -2.93 0.00 0.00 61.98 57.20 1u6l s VAL 88 Cb -0.15 -2.52 -0.19 0.00 -1.53 0.00 0.00 36.38 31.98 1u6l s VAL 88 CO 0.02 0.00 0.84 0.44 -3.33 0.00 0.00 175.10 173.07 1u6l h ASP 89 N 2.22 0.00 -3.90 3.54 3.45 -1.98 -3.36 116.42 116.39 1u6l h ASP 89 Ca -0.28 0.00 -0.68 0.00 0.43 0.00 0.00 57.03 56.50 1u6l h ASP 89 Cb 1.24 0.00 -0.21 0.00 -0.56 0.00 0.00 39.33 39.79 1u6l h ASP 89 CO 0.40 0.89 -0.77 -0.55 -1.57 0.00 0.00 179.24 177.64 1u6l s SER 90 N -6.15 4.10 0.60 6.45 0.15 -1.26 -3.57 113.70 114.01 1u6l s SER 90 Ca -0.03 -0.27 0.35 0.00 0.70 0.00 0.00 55.95 56.71 1u6l s SER 90 Cb 0.08 -0.82 1.90 0.00 -1.71 0.00 0.00 66.02 65.48 1u6l s SER 90 CO 0.82 0.30 2.22 0.50 1.20 0.00 0.00 173.24 178.27 1u6l h LYS 91 N 4.83 0.00 0.02 5.44 1.63 -1.84 -0.12 116.57 126.53 1u6l h LYS 91 Ca -0.47 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.29 1u6l h LYS 91 Cb 1.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1u6l h LYS 91 CO 0.50 0.03 -0.16 0.00 -3.45 0.00 0.00 179.45 176.37 1u6l h ALA 92 N 1.97 -0.00 -0.74 5.00 0.00 -1.93 -2.83 119.26 120.73 1u6l h ALA 92 Ca -0.00 -0.49 0.05 0.00 0.00 0.00 0.00 54.91 54.47 1u6l h ALA 92 Cb 0.15 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1u6l h ALA 92 CO 0.00 0.04 0.45 1.05 0.00 0.00 0.00 179.25 180.79 1u6l h GLU 93 N -0.74 0.82 -0.11 0.00 4.11 -1.82 0.54 114.58 117.39 1u6l h GLU 93 Ca -0.02 -0.05 0.04 0.00 0.07 0.00 0.00 59.36 59.39 1u6l h GLU 93 Cb 1.02 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 1u6l h GLU 93 CO 0.03 0.54 -0.48 0.00 0.07 0.00 0.00 179.01 179.18 1u6l h ALA 94 N 1.34 -0.74 -0.51 1.06 0.00 -1.12 0.21 119.26 119.49 1u6l h ALA 94 Ca 0.31 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.28 1u6l h ALA 94 Cb 0.10 0.89 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 1u6l h ALA 94 CO -0.14 -1.01 0.00 0.93 0.00 0.00 0.00 179.25 179.03 1u6l h GLU 95 N -0.55 0.12 -0.07 0.00 3.07 -0.63 0.36 114.58 116.87 1u6l h GLU 95 Ca 0.05 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.94 1u6l h GLU 95 Cb 0.66 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.50 1u6l h GLU 95 CO -0.41 0.08 -0.18 -0.09 -1.40 0.00 0.00 179.01 177.01 1u6l h ARG 96 N 0.12 -0.25 -0.27 2.33 2.43 0.56 -1.79 114.38 117.52 1u6l h ARG 96 Ca 0.26 0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.26 1u6l h ARG 96 Cb 0.40 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1u6l h ARG 96 CO -0.43 -0.17 -0.58 -0.07 -1.51 0.00 0.00 179.97 177.21 1u6l h LEU 97 N -0.26 0.97 -0.97 3.80 3.38 0.12 -1.48 115.31 120.88 1u6l h LEU 97 Ca 0.08 -0.54 0.04 0.00 0.09 0.00 0.00 57.88 57.55 1u6l h LEU 97 Cb 0.37 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1u6l h LEU 97 CO -0.22 1.34 0.63 0.15 0.09 0.00 0.00 178.44 180.43 1u6l h PHE 98 N 0.65 1.18 -0.03 1.13 3.57 -0.28 -2.32 116.94 120.84 1u6l h PHE 98 Ca 0.00 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 1u6l h PHE 98 Cb 1.19 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1u6l h PHE 98 CO 0.07 0.67 -0.23 -0.91 -2.23 0.00 0.00 178.31 175.69 1u6l h ASN 99 N 1.21 0.24 0.12 0.41 4.21 -1.05 -2.48 115.58 118.24 1u6l h ASN 99 Ca 0.39 -0.70 -0.01 0.00 1.21 0.00 0.00 56.30 57.19 1u6l h ASN 99 Cb 0.03 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 1u6l h ASN 99 CO -0.13 0.91 -0.06 0.00 -1.29 0.00 0.00 177.43 176.86 1u6l h ALA 100 N 0.34 -0.16 0.00 -0.83 0.00 -1.28 -2.79 119.26 114.54 1u6l h ALA 100 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1u6l h ALA 100 Cb 0.92 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1u6l h ALA 100 CO 0.05 -0.44 0.00 -0.07 0.00 0.00 0.00 179.25 178.78 1u6l h LEU 101 N -0.45 0.00 0.00 0.00 3.38 -1.55 -2.32 115.31 114.37 1u6l h LEU 101 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1u6l h LEU 101 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1u6l h LEU 101 CO 0.03 0.00 -0.86 0.00 0.09 0.00 0.00 178.44 177.69 1u6l n ALA 102 N -1.98 2.98 -1.67 1.53 0.00 -0.93 -4.27 120.51 116.17 1u6l n ALA 102 Ca 0.02 -0.30 -0.45 0.00 0.00 0.00 0.00 53.44 52.71 1u6l n ALA 102 Cb 0.34 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 1u6l n ALA 102 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1u6l n GLU 103 N -2.19 2.09 -0.95 0.00 0.00 -0.87 0.19 120.64 118.89 1u6l n GLU 103 Ca 0.02 0.74 0.00 0.00 0.00 0.00 0.00 57.16 57.92 1u6l n GLU 103 Cb 0.47 -2.43 0.00 0.00 0.00 0.00 0.00 31.44 29.48 1u6l n GLU 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1u6l n GLY 104 N 2.33 0.19 0.00 -1.84 0.00 -1.26 -4.38 105.19 100.23 1u6l n GLY 104 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.59 0.54 3.42 -0.02 0.00 0.49 -3.80 105.19 105.24 1u6l n GLY 105 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1u6l n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u6l s SER 106 N -1.00 -0.34 0.19 1.61 0.15 -1.07 -4.83 113.70 108.42 1u6l s SER 106 Ca 0.00 0.49 0.01 0.00 0.70 0.00 0.00 55.95 57.16 1u6l s SER 106 Cb 0.00 1.32 -0.04 0.00 -1.71 0.00 0.00 66.02 65.59 1u6l s SER 106 CO 0.00 -0.07 0.35 -0.69 1.20 0.00 0.00 173.24 174.03 1u6l s VAL 107 N 1.92 5.26 -0.02 4.45 1.01 -1.26 -0.99 120.40 130.77 1u6l s VAL 107 Ca -0.04 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1u6l s VAL 107 Cb -0.04 -3.76 0.05 0.00 0.00 0.00 0.00 36.38 32.64 1u6l s VAL 107 CO -0.15 -0.18 0.99 0.00 0.00 0.00 0.00 175.10 175.76 1u6l n GLN 108 N -0.75 0.27 -4.44 2.72 3.00 -1.26 -4.92 117.38 112.00 1u6l n GLN 108 Ca -0.06 -1.24 -0.25 0.00 -0.01 0.00 0.00 57.00 55.44 1u6l n GLN 108 Cb 0.54 -0.68 -0.10 0.00 0.00 0.00 0.00 30.24 30.01 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 -0.50 1.96 -0.08 -1.09 0.02 -1.26 -5.01 135.00 129.04 1u6l s PRO 110 Ca 0.05 -1.86 -0.30 0.00 0.02 0.00 0.00 61.00 58.92 1u6l s PRO 110 Cb 0.05 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.73 1u6l s PRO 110 CO 0.01 0.12 1.15 -1.17 -0.33 0.00 0.00 177.00 176.77 1u6l s LEU 111 N -3.68 4.26 -0.04 -5.54 0.20 -1.26 -4.52 118.68 108.11 1u6l s LEU 111 Ca 0.34 1.72 -0.30 0.00 0.69 0.00 0.00 54.13 56.57 1u6l s LEU 111 Cb 0.02 -3.56 0.12 0.00 -0.43 0.00 0.00 46.19 42.34 1u6l s LEU 111 CO 0.18 -0.56 1.33 -0.83 -0.29 0.00 0.00 176.35 176.18 1u6l s GLY 112 N 1.40 -0.32 0.76 7.98 0.00 -0.53 -4.91 107.32 111.71 1u6l s GLY 112 Ca 0.53 0.47 -0.11 0.00 0.00 0.00 0.00 44.72 45.62 1u6l s GLY 112 CO 0.20 2.81 1.08 -4.14 0.00 0.00 0.00 173.10 173.05 1u6l s PRO 113 N -2.14 2.36 0.32 2.90 0.02 -1.23 -2.48 135.00 134.75 1u6l s PRO 113 Ca 0.22 0.96 -0.11 0.00 0.02 0.00 0.00 61.00 62.09 1u6l s PRO 113 Cb 0.03 -1.92 0.02 0.00 0.02 0.00 0.00 34.50 32.64 1u6l s PRO 113 CO -0.03 -1.51 0.58 0.95 -0.33 0.00 0.00 177.00 176.66 1u6l s THR 114 N -3.00 0.00 0.39 0.99 -4.23 -0.93 -4.96 115.64 103.90 1u6l s THR 114 Ca 0.60 -1.32 0.21 0.00 -1.18 0.00 0.00 61.69 60.00 1u6l s THR 114 Cb -0.16 -2.50 0.22 0.00 1.34 0.00 0.00 72.50 71.41 1u6l s THR 114 CO 0.55 0.00 1.98 2.19 -0.54 0.00 0.00 174.62 178.81 1u6l h PHE 115 N 2.12 0.00 -0.22 3.99 -0.00 -2.00 -3.06 116.94 117.77 1u6l h PHE 115 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.69 1u6l h PHE 115 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.20 1u6l h PHE 115 CO 1.00 0.20 0.00 -2.67 -0.00 0.00 0.00 178.31 176.84 1u6l n TRP 116 N -3.86 0.27 -3.65 6.09 2.14 -1.26 -5.00 117.44 112.17 1u6l n TRP 116 Ca -0.02 -0.14 -0.15 0.00 2.07 0.00 0.00 57.50 59.27 1u6l n TRP 116 Cb 0.29 -0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 30.71 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 -1.68 -1.46 0.05 -1.67 0.00 -1.16 -4.94 121.76 110.90 1u6l s ALA 117 Ca 0.33 1.46 -0.33 0.00 0.00 0.00 0.00 51.96 53.42 1u6l s ALA 117 Cb 0.21 -0.65 -0.19 0.00 0.00 0.00 0.00 23.12 22.50 1u6l s ALA 117 CO 0.30 -0.30 1.46 0.00 0.00 0.00 0.00 175.76 177.22 1u6l h ALA 118 N 4.57 -1.04 -3.38 0.00 0.00 -1.78 -2.47 119.26 115.16 1u6l h ALA 118 Ca -0.28 -0.24 -0.46 0.00 0.00 0.00 0.00 54.91 53.93 1u6l h ALA 118 Cb 1.16 0.40 -0.21 0.00 0.00 0.00 0.00 17.79 19.15 1u6l h ALA 118 CO 0.22 -1.04 -0.79 0.45 0.00 0.00 0.00 179.25 178.09 1u6l s SER 119 N -4.32 2.06 -0.17 0.00 0.15 -1.24 -3.47 113.70 106.71 1u6l s SER 119 Ca -0.17 -0.69 -0.29 0.00 0.70 0.00 0.00 55.95 55.50 1u6l s SER 119 Cb 0.02 -0.09 0.10 0.00 -1.71 0.00 0.00 66.02 64.35 1u6l s SER 119 CO 0.56 -0.04 0.88 0.12 1.20 0.00 0.00 173.24 175.96 1u6l s PHE 120 N -1.44 -0.53 0.00 3.44 5.36 -1.04 -1.54 117.98 122.24 1u6l s PHE 120 Ca 0.04 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 57.05 1u6l s PHE 120 Cb -0.09 0.40 0.00 0.00 -0.34 0.00 0.00 43.02 42.99 1u6l s PHE 120 CO 0.03 -0.40 0.00 0.41 -1.46 0.00 0.00 175.22 173.80 1u6l n GLY 121 N 1.32 2.00 0.00 13.12 0.00 -0.84 -1.45 105.19 119.34 1u6l n GLY 121 Ca -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.67 1.61 1.16 -0.96 -1.24 117.46 114.36 1u6l n PHE 123 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.43 1u6l n PHE 123 Cb 0.00 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 37.73 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 -2.42 -0.33 0.73 1.97 2.01 -0.16 -0.81 115.64 116.63 1u6l s THR 124 Ca 0.00 0.32 -0.11 0.00 0.31 0.00 0.00 61.69 62.20 1u6l s THR 124 Cb 0.00 -0.37 0.04 0.00 0.01 0.00 0.00 72.50 72.18 1u6l s THR 124 CO 0.00 0.13 1.09 1.51 -0.69 0.00 0.00 174.62 176.66 1u6l s ASP 125 N 2.33 4.82 0.30 3.53 1.47 -0.04 -2.59 116.67 126.49 1u6l s ASP 125 Ca 0.02 1.80 0.26 0.00 1.18 0.00 0.00 52.55 55.82 1u6l s ASP 125 Cb -0.12 -2.52 0.95 0.00 -0.34 0.00 0.00 42.92 40.89 1u6l s ASP 125 CO -0.07 -1.82 0.87 -1.14 0.68 0.00 0.00 175.17 173.69 1u6l n ARG 126 N -3.23 -0.00 -0.11 2.11 0.63 -1.25 0.65 116.66 115.46 1u6l n ARG 126 Ca 0.09 0.62 0.12 0.00 -0.92 0.00 0.00 57.85 57.76 1u6l n ARG 126 Cb 0.53 -1.40 0.21 0.00 0.45 0.00 0.00 32.46 32.25 1u6l n ARG 126 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1u6l n PHE 127 N -3.21 0.29 -0.05 -0.14 3.01 -1.26 -4.94 117.46 111.16 1u6l n PHE 127 Ca 0.25 -0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1u6l n PHE 127 Cb 1.08 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.55 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 1.41 0.78 3.68 1.37 0.00 0.21 -4.95 105.19 107.69 1u6l n GLY 128 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.05 5.33 -0.10 1.61 1.01 -1.26 -4.54 120.40 120.41 1u6l s VAL 129 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.01 1u6l s VAL 129 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 1u6l s VAL 129 CO 0.00 0.34 1.01 0.00 0.00 0.00 0.00 175.10 176.45 1u6l s ALA 130 N 0.96 3.39 0.00 5.51 0.00 -1.26 -0.86 121.76 129.50 1u6l s ALA 130 Ca 0.11 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1u6l s ALA 130 Cb -0.13 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1u6l s ALA 130 CO 0.04 -0.58 0.00 0.91 0.00 0.00 0.00 175.76 176.13 1u6l n TRP 131 N 4.93 0.00 -3.67 0.00 7.02 0.01 -1.85 117.44 123.88 1u6l n TRP 131 Ca 0.09 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.46 1u6l n TRP 131 Cb 0.49 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.29 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 1.72 -0.01 -0.03 -0.99 1.01 -0.37 -2.27 120.40 119.46 1u6l s VAL 133 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1u6l s VAL 133 Cb 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1u6l s VAL 133 CO 0.00 0.01 0.06 0.21 0.00 0.00 0.00 175.10 175.38 1u6l s ASN 134 N 1.06 -0.04 0.05 3.32 3.84 0.24 -1.99 114.94 121.42 1u6l s ASN 134 Ca -0.06 0.12 -0.00 0.00 0.21 0.00 0.00 52.86 53.13 1u6l s ASN 134 Cb -0.06 0.09 -0.04 0.00 -0.55 0.00 0.00 41.25 40.70 1u6l s ASN 134 CO -0.10 -0.06 -0.03 0.00 -2.79 0.00 0.00 177.10 174.12 1u6l n GLU 136 N 0.38 0.00 0.00 0.00 1.02 -1.26 -2.89 120.64 117.89 1u6l n GLU 136 Ca -0.16 -1.33 0.00 0.00 -0.02 0.00 0.00 57.16 55.65 1u6l n GLU 136 Cb 0.60 0.26 0.00 0.00 -0.02 0.00 0.00 31.44 32.28 1u6l n GLU 136 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1u6l n GLN 137 N 0.19 0.00 0.00 3.49 1.13 -1.26 -4.79 117.38 116.14 1u6l n GLN 137 Ca -0.13 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.08 1u6l n GLN 137 Cb 0.86 0.00 0.79 0.00 0.11 0.00 0.00 30.24 32.00 1u6l n GLN 137 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22