#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxl s SER 2 N 0.00 4.39 0.04 7.83 0.15 -1.26 -5.02 113.70 119.83 1sxl s SER 2 Ca 0.00 -0.15 -0.22 0.00 0.70 0.00 0.00 55.95 56.28 1sxl s SER 2 Cb 0.00 -0.29 -0.11 0.00 -1.71 0.00 0.00 66.02 63.91 1sxl s SER 2 CO 0.00 -1.83 1.33 1.88 1.20 0.00 0.00 173.24 175.82 1sxl h TYR 3 N -0.58 -0.79 -4.11 3.44 0.05 -2.09 -3.47 116.97 109.43 1sxl h TYR 3 Ca -0.39 -0.01 -0.16 0.00 0.05 0.00 0.00 58.73 58.23 1sxl h TYR 3 Cb 1.27 0.29 -0.12 0.00 1.01 0.00 0.00 36.73 39.18 1sxl h TYR 3 CO -0.16 -0.43 -0.34 0.00 -1.05 0.00 0.00 178.16 176.17 1sxl s ALA 4 N -4.76 0.48 0.14 3.88 0.00 -1.26 -5.09 121.76 115.15 1sxl s ALA 4 Ca -0.11 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1sxl s ALA 4 Cb 0.02 1.22 0.00 0.00 0.00 0.00 0.00 23.12 24.36 1sxl s ALA 4 CO 0.35 -0.73 0.00 -2.13 0.00 0.00 0.00 175.76 173.25 1sxl n ARG 5 N -0.35 -4.26 -4.43 0.00 0.63 -1.26 -5.04 116.66 101.94 1sxl n ARG 5 Ca 0.00 3.14 -0.24 0.00 -0.92 0.00 0.00 57.85 59.84 1sxl n ARG 5 Cb 0.64 -3.33 -0.09 0.00 0.45 0.00 0.00 32.46 30.12 1sxl n ARG 5 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1sxl s PRO 6 N -1.17 1.81 0.00 -0.14 0.04 -1.26 -4.89 135.00 129.39 1sxl s PRO 6 Ca 0.00 -1.69 0.00 0.00 0.04 0.00 0.00 61.00 59.35 1sxl s PRO 6 Cb 0.00 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1sxl s PRO 6 CO 0.00 0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.79 1sxl n GLY 7 N -0.67 -1.78 0.00 0.56 0.00 -1.26 -4.76 105.19 97.28 1sxl n GLY 7 Ca -0.05 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1sxl n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sxl n GLY 8 N -0.30 -0.55 2.85 -0.02 0.00 -1.25 -4.77 105.19 101.15 1sxl n GLY 8 Ca 0.00 0.36 0.03 0.00 0.00 0.00 0.00 46.02 46.41 1sxl n GLY 8 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sxl n GLU 9 N 0.00 0.05 -0.50 1.61 0.28 -1.26 -3.96 120.64 116.86 1sxl n GLU 9 Ca 0.00 -0.42 0.00 0.00 -0.16 0.00 0.00 57.16 56.58 1sxl n GLU 9 Cb 0.00 0.78 0.00 0.00 1.43 0.00 0.00 31.44 33.65 1sxl n GLU 9 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1sxl n SER 10 N -0.74 -2.82 -4.58 -1.84 7.64 -1.26 -4.47 113.62 105.55 1sxl n SER 10 Ca 0.04 0.55 -0.32 0.00 1.01 0.00 0.00 58.87 60.16 1sxl n SER 10 Cb 0.41 -0.90 -0.05 0.00 -1.01 0.00 0.00 64.21 62.66 1sxl n SER 10 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1sxl s ILE 11 N -4.05 3.67 0.00 0.44 -1.09 -1.26 -3.90 121.20 115.01 1sxl s ILE 11 Ca 0.00 -1.09 0.00 0.00 -2.23 0.00 0.00 60.65 57.33 1sxl s ILE 11 Cb 0.00 -4.68 0.00 0.00 -1.58 0.00 0.00 42.46 36.20 1sxl s ILE 11 CO 0.00 -1.24 0.00 2.29 -1.23 0.00 0.00 174.94 174.76 1sxl n LYS 12 N 8.37 0.00 0.00 2.79 2.85 -1.26 -4.43 118.16 126.48 1sxl n LYS 12 Ca 0.45 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.71 1sxl n LYS 12 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 1sxl n LYS 12 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1sxl n ASP 13 N 0.00 0.00 -3.86 -5.58 9.92 -1.25 -4.70 116.55 111.08 1sxl n ASP 13 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 1sxl n ASP 13 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1sxl n ASP 13 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1sxl n THR 14 N -0.18 3.39 -1.45 -3.53 -1.04 -1.09 -4.83 114.28 105.55 1sxl n THR 14 Ca 0.00 -3.06 -0.22 0.00 -2.04 0.00 0.00 64.05 58.73 1sxl n THR 14 Cb 0.00 -2.55 0.16 0.00 -1.82 0.00 0.00 70.33 66.13 1sxl n THR 14 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1sxl n ASN 15 N 6.64 -0.50 -4.17 8.00 0.23 -0.58 -2.74 115.26 122.14 1sxl n ASN 15 Ca 0.51 -1.25 -0.37 0.00 -0.53 0.00 0.00 54.58 52.95 1sxl n ASN 15 Cb 0.40 -0.75 -0.12 0.00 -2.08 0.00 0.00 39.78 37.23 1sxl n ASN 15 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1sxl s LEU 16 N 0.00 4.85 -1.22 -4.53 2.01 -1.05 -3.91 118.68 114.83 1sxl s LEU 16 Ca 0.55 -1.71 -0.18 0.00 0.01 0.00 0.00 54.13 52.80 1sxl s LEU 16 Cb -0.03 -1.83 0.10 0.00 0.01 0.00 0.00 46.19 44.44 1sxl s LEU 16 CO 0.40 -0.46 1.59 -0.47 1.01 0.00 0.00 176.35 178.41 1sxl s TYR 17 N 1.23 2.96 -0.03 0.29 5.04 -0.97 -1.79 117.35 124.07 1sxl s TYR 17 Ca 0.04 -1.65 -0.28 0.00 -2.44 0.00 0.00 57.07 52.74 1sxl s TYR 17 Cb -0.22 -4.61 -0.03 0.00 0.35 0.00 0.00 41.96 37.45 1sxl s TYR 17 CO -0.02 -1.70 0.88 0.14 -1.34 0.00 0.00 175.55 173.51 1sxl s VAL 18 N 3.53 4.93 0.32 3.14 -7.23 -0.68 -3.84 120.40 120.56 1sxl s VAL 18 Ca 0.49 1.83 0.03 0.00 -1.81 0.00 0.00 61.98 62.51 1sxl s VAL 18 Cb 0.01 -4.21 -0.05 0.00 0.56 0.00 0.00 36.38 32.69 1sxl s VAL 18 CO 0.03 0.18 0.10 -0.89 -0.31 0.00 0.00 175.10 174.21 1sxl s THR 19 N 1.00 0.73 -0.03 5.32 2.01 -1.02 -1.59 115.64 122.06 1sxl s THR 19 Ca 0.46 -2.00 -0.00 0.00 0.31 0.00 0.00 61.69 60.46 1sxl s THR 19 Cb -0.20 -2.62 -0.00 0.00 0.01 0.00 0.00 72.50 69.70 1sxl s THR 19 CO 0.24 0.00 0.03 -3.20 -0.69 0.00 0.00 174.62 171.00 1sxl n ASN 20 N -0.77 -2.18 -3.61 3.53 2.85 -1.26 -1.54 115.26 112.28 1sxl n ASN 20 Ca -0.02 -0.02 -0.09 0.00 -0.11 0.00 0.00 54.58 54.35 1sxl n ASN 20 Cb 0.66 -0.83 -0.06 0.00 1.24 0.00 0.00 39.78 40.79 1sxl n ASN 20 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 1sxl s LEU 21 N -2.75 -0.35 -0.93 1.20 -0.00 -1.26 -3.92 118.68 110.67 1sxl s LEU 21 Ca 0.01 0.54 -0.00 0.00 -0.00 0.00 0.00 54.13 54.67 1sxl s LEU 21 Cb -0.00 1.74 0.29 0.00 -0.00 0.00 0.00 46.19 48.22 1sxl s LEU 21 CO 0.03 -0.21 1.25 -0.81 -0.00 0.00 0.00 176.35 176.61 1sxl n PRO 22 N 1.40 3.88 -3.81 1.48 -0.04 -1.26 -4.46 135.00 132.19 1sxl n PRO 22 Ca -0.10 -4.61 -0.27 0.00 -0.04 0.00 0.00 63.50 58.47 1sxl n PRO 22 Cb 0.57 -2.42 -0.05 0.00 -0.04 0.00 0.00 33.50 31.56 1sxl n PRO 22 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sxl n ARG 23 N 1.07 -1.56 0.00 0.54 1.74 -1.26 -4.71 116.66 112.48 1sxl n ARG 23 Ca 0.28 0.09 0.15 0.00 -0.77 0.00 0.00 57.85 57.60 1sxl n ARG 23 Cb 0.35 -4.65 0.77 0.00 -1.02 0.00 0.00 32.46 27.92 1sxl n ARG 23 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1sxl n THR 24 N -3.50 0.01 -3.70 0.55 -1.04 -1.26 -4.80 114.28 100.54 1sxl n THR 24 Ca 0.08 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.94 1sxl n THR 24 Cb 0.47 -0.51 -0.08 0.00 -1.82 0.00 0.00 70.33 68.39 1sxl n THR 24 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1sxl s ILE 25 N -2.52 0.04 0.32 12.58 -4.36 -1.26 -5.16 121.20 120.83 1sxl s ILE 25 Ca 0.30 -0.36 -0.05 0.00 -0.26 0.00 0.00 60.65 60.28 1sxl s ILE 25 Cb 0.20 -0.73 -0.05 0.00 1.25 0.00 0.00 42.46 43.13 1sxl s ILE 25 CO 0.45 -0.20 0.59 0.42 0.24 0.00 0.00 174.94 176.44 1sxl s THR 26 N -1.36 5.00 0.07 8.37 -4.23 -1.26 -4.98 115.64 117.25 1sxl s THR 26 Ca -0.12 0.08 -0.23 0.00 -1.18 0.00 0.00 61.69 60.23 1sxl s THR 26 Cb -0.04 -3.75 -0.15 0.00 1.34 0.00 0.00 72.50 69.90 1sxl s THR 26 CO 0.05 -0.39 1.63 -2.24 -0.54 0.00 0.00 174.62 173.14 1sxl h ASP 27 N 1.48 0.04 -0.23 3.99 2.03 -1.98 0.37 116.42 122.13 1sxl h ASP 27 Ca -0.48 -0.12 0.07 0.00 -0.73 0.00 0.00 57.03 55.77 1sxl h ASP 27 Cb 1.19 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.67 1sxl h ASP 27 CO 0.65 0.15 0.51 -0.78 -1.03 0.00 0.00 179.24 178.74 1sxl h ASP 28 N -0.07 0.00 0.08 4.15 3.58 -1.94 0.42 116.42 122.64 1sxl h ASP 28 Ca 0.01 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.21 1sxl h ASP 28 Cb 0.12 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.19 1sxl h ASP 28 CO -0.00 0.00 -1.03 1.56 -2.88 0.00 0.00 179.24 176.89 1sxl h GLN 29 N 0.00 0.56 -0.84 0.28 4.20 -1.31 -3.25 115.11 114.73 1sxl h GLN 29 Ca 0.11 -0.70 0.21 0.00 0.06 0.00 0.00 58.65 58.32 1sxl h GLN 29 Cb 1.13 0.23 -0.13 0.00 0.30 0.00 0.00 27.48 29.01 1sxl h GLN 29 CO -0.00 1.30 0.26 -0.07 -0.67 0.00 0.00 178.83 179.65 1sxl h LEU 30 N 0.14 0.10 -0.89 1.46 4.07 0.25 0.68 115.31 121.11 1sxl h LEU 30 Ca -0.15 0.17 0.05 0.00 0.08 0.00 0.00 57.88 58.03 1sxl h LEU 30 Cb 1.72 0.21 -0.06 0.00 1.08 0.00 0.00 40.66 43.62 1sxl h LEU 30 CO 0.20 -0.08 0.57 -0.78 -1.08 0.00 0.00 178.44 177.27 1sxl h ASP 31 N 0.28 0.92 -0.46 -0.43 1.82 -1.59 -1.42 116.42 115.55 1sxl h ASP 31 Ca 0.51 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 57.12 1sxl h ASP 31 Cb 0.98 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.77 1sxl h ASP 31 CO -0.58 0.61 0.18 0.74 -1.61 0.00 0.00 179.24 178.59 1sxl h THR 32 N 1.07 1.20 -0.22 2.25 2.02 0.28 0.37 112.91 119.88 1sxl h THR 32 Ca 0.37 -0.64 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 1sxl h THR 32 Cb 0.08 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1sxl h THR 32 CO -0.14 0.25 -0.26 -0.29 0.37 0.00 0.00 175.52 175.44 1sxl h ILE 33 N 0.73 1.26 0.00 3.11 2.10 -0.22 -3.35 117.51 121.15 1sxl h ILE 33 Ca 0.17 -1.25 0.00 0.00 1.08 0.00 0.00 64.86 64.86 1sxl h ILE 33 Cb 0.18 1.39 0.00 0.00 -1.09 0.00 0.00 36.82 37.29 1sxl h ILE 33 CO -0.01 0.39 0.00 0.49 -1.08 0.00 0.00 178.15 177.94 1sxl n PHE 34 N -4.12 0.00 0.00 2.19 3.72 -0.89 -4.98 117.46 113.37 1sxl n PHE 34 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1sxl n PHE 34 Cb 0.40 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1sxl n PHE 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sxl n GLY 35 N 2.01 3.10 3.10 1.37 0.00 0.07 -4.88 105.19 109.97 1sxl n GLY 35 Ca 0.00 -0.93 0.05 0.00 0.00 0.00 0.00 46.02 45.15 1sxl n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sxl s LYS 36 N 0.00 0.14 0.00 1.61 0.00 -1.26 -5.04 119.74 115.19 1sxl s LYS 36 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 55.97 56.08 1sxl s LYS 36 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 37.83 37.89 1sxl s LYS 36 CO 0.00 -0.26 0.00 2.48 0.00 0.00 0.00 175.35 177.57 1sxl n TYR 37 N 4.92 0.00 -4.00 1.78 4.11 -1.26 -5.14 117.16 117.58 1sxl n TYR 37 Ca 0.09 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 58.01 1sxl n TYR 37 Cb 0.58 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.93 1sxl n TYR 37 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1sxl n GLY 38 N 0.50 0.28 2.97 -7.48 0.00 -1.26 -4.87 105.19 95.34 1sxl n GLY 38 Ca 0.00 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 1sxl n GLY 38 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sxl n SER 39 N -0.59 5.06 -3.94 1.61 2.88 -1.26 -4.99 113.62 112.38 1sxl n SER 39 Ca 0.03 -3.07 -0.48 0.00 -1.33 0.00 0.00 58.87 54.02 1sxl n SER 39 Cb 0.32 -1.51 -0.05 0.00 -0.75 0.00 0.00 64.21 62.22 1sxl n SER 39 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1sxl n ILE 40 N 3.67 0.79 -1.91 2.46 -0.00 -1.26 -4.68 119.36 118.43 1sxl n ILE 40 Ca 0.40 -0.20 -0.38 0.00 -0.00 0.00 0.00 62.75 62.57 1sxl n ILE 40 Cb 0.38 0.00 0.04 0.00 -0.00 0.00 0.00 39.64 40.06 1sxl n ILE 40 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.55 177.88 1sxl n VAL 41 N 0.74 3.47 0.00 7.28 0.24 -1.20 -4.79 118.33 124.06 1sxl n VAL 41 Ca 0.17 -4.21 0.00 0.00 -2.04 0.00 0.00 64.34 58.26 1sxl n VAL 41 Cb 0.14 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.28 1sxl n VAL 41 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1sxl n GLN 42 N -0.58 0.00 -3.09 7.34 0.00 -1.26 -4.25 117.38 115.53 1sxl n GLN 42 Ca 0.53 0.00 -0.17 0.00 -0.00 0.00 0.00 57.00 57.36 1sxl n GLN 42 Cb 0.33 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.58 1sxl n GLN 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1sxl s LYS 43 N -4.68 2.82 0.19 3.69 1.02 -1.26 -3.19 119.74 118.34 1sxl s LYS 43 Ca 0.00 -1.25 -0.23 0.00 0.02 0.00 0.00 55.97 54.51 1sxl s LYS 43 Cb 0.00 -2.73 0.05 0.00 -0.52 0.00 0.00 37.83 34.64 1sxl s LYS 43 CO 0.00 -0.24 0.67 1.21 -0.92 0.00 0.00 175.35 176.07 1sxl s ASN 44 N -4.32 -0.44 -0.20 2.83 3.84 0.68 -4.96 114.94 112.37 1sxl s ASN 44 Ca 0.54 -0.23 -0.04 0.00 0.21 0.00 0.00 52.86 53.33 1sxl s ASN 44 Cb -0.09 0.63 0.08 0.00 -0.55 0.00 0.00 41.25 41.31 1sxl s ASN 44 CO 0.32 -1.09 0.13 -0.63 -2.79 0.00 0.00 177.10 173.04 1sxl s ILE 45 N -3.77 -0.14 -0.13 -5.21 1.01 -1.26 -1.74 121.20 109.97 1sxl s ILE 45 Ca 0.05 -0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.27 1sxl s ILE 45 Cb -0.03 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 1sxl s ILE 45 CO -0.05 -0.36 0.39 -0.76 0.00 0.00 0.00 174.94 174.16 1sxl s LEU 46 N 2.17 4.28 0.22 2.97 2.01 0.27 -4.93 118.68 125.67 1sxl s LEU 46 Ca 0.04 0.69 0.00 0.00 0.01 0.00 0.00 54.13 54.87 1sxl s LEU 46 Cb -0.16 -2.54 0.00 0.00 0.01 0.00 0.00 46.19 43.50 1sxl s LEU 46 CO -0.15 0.07 0.00 -2.11 1.01 0.00 0.00 176.35 175.17 1sxl n ARG 47 N 3.47 0.00 -3.12 1.70 1.85 -1.26 -2.46 116.66 116.83 1sxl n ARG 47 Ca -0.10 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.65 1sxl n ARG 47 Cb 0.52 -0.12 -0.04 0.00 -1.05 0.00 0.00 32.46 31.77 1sxl n ARG 47 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1sxl n ASP 48 N -3.38 -0.38 0.00 2.89 5.75 -1.26 -4.23 116.55 115.94 1sxl n ASP 48 Ca 0.00 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 1sxl n ASP 48 Cb 0.02 0.88 0.00 0.00 -1.03 0.00 0.00 41.12 40.98 1sxl n ASP 48 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1sxl n LYS 49 N -0.32 0.00 0.00 0.11 4.76 -1.26 -5.00 118.16 116.45 1sxl n LYS 49 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1sxl n LYS 49 Cb 0.31 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.50 1sxl n LYS 49 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1sxl n LEU 50 N -0.80 0.00 0.00 -0.35 4.77 -1.26 -5.05 117.00 114.30 1sxl n LEU 50 Ca 0.00 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1sxl n LEU 50 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sxl n LEU 50 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.47 1sxl n THR 51 N -1.09 0.00 -1.15 -5.08 -1.04 -1.26 -5.02 114.28 99.63 1sxl n THR 51 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 1sxl n THR 51 Cb 0.00 -0.18 0.26 0.00 -1.82 0.00 0.00 70.33 68.59 1sxl n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sxl n GLY 52 N 5.00 4.09 3.63 3.41 0.00 -1.26 -4.96 105.19 115.10 1sxl n GLY 52 Ca 0.00 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 1sxl n GLY 52 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sxl s ARG 53 N -3.08 3.81 0.00 1.61 6.06 -1.26 -4.93 118.95 121.17 1sxl s ARG 53 Ca 0.52 1.56 0.00 0.00 -2.50 0.00 0.00 55.73 55.31 1sxl s ARG 53 Cb 0.43 -4.00 0.00 0.00 0.06 0.00 0.00 34.95 31.44 1sxl s ARG 53 CO 0.10 -1.27 0.11 -0.35 -2.50 0.00 0.00 175.30 171.40 1sxl n PRO 54 N 7.60 0.00 0.00 5.12 -0.04 -1.26 -4.13 135.00 142.28 1sxl n PRO 54 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1sxl n PRO 54 Cb 0.46 -0.57 0.00 0.00 -0.04 0.00 0.00 33.50 33.35 1sxl n PRO 54 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1sxl n ARG 55 N -0.44 0.00 -2.41 0.54 0.63 -1.26 -4.44 116.66 109.28 1sxl n ARG 55 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 1sxl n ARG 55 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1sxl n ARG 55 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sxl n GLY 56 N 0.00 -2.26 3.09 5.14 0.00 -1.26 -4.80 105.19 105.10 1sxl n GLY 56 Ca 0.00 0.61 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 1sxl n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sxl s VAL 57 N -1.73 -0.00 0.45 1.61 -7.23 -1.03 -4.05 120.40 108.43 1sxl s VAL 57 Ca 0.10 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.30 1sxl s VAL 57 Cb -0.03 -0.30 -0.03 0.00 0.56 0.00 0.00 36.38 36.58 1sxl s VAL 57 CO 0.54 0.00 0.06 0.00 -0.31 0.00 0.00 175.10 175.39 1sxl s ALA 58 N 0.13 3.46 -0.21 1.32 0.00 -0.62 -0.57 121.76 125.27 1sxl s ALA 58 Ca -0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 1sxl s ALA 58 Cb -0.02 0.37 0.09 0.00 0.00 0.00 0.00 23.12 23.56 1sxl s ALA 58 CO 0.00 -0.17 0.17 -0.06 0.00 0.00 0.00 175.76 175.70 1sxl s PHE 59 N -3.03 -0.05 0.98 0.00 0.40 -0.71 -1.69 117.98 113.88 1sxl s PHE 59 Ca 0.17 -0.14 -0.16 0.00 -0.60 0.00 0.00 56.93 56.20 1sxl s PHE 59 Cb 0.03 -0.55 0.20 0.00 0.51 0.00 0.00 43.02 43.21 1sxl s PHE 59 CO 0.10 -0.62 1.29 0.54 0.70 0.00 0.00 175.22 177.22 1sxl s VAL 60 N 2.23 1.95 -0.21 -0.44 0.11 -0.74 -0.23 120.40 123.07 1sxl s VAL 60 Ca 0.06 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.04 1sxl s VAL 60 Cb -0.16 -2.94 -0.03 0.00 -1.53 0.00 0.00 36.38 31.72 1sxl s VAL 60 CO -0.16 0.00 0.03 -0.13 -3.33 0.00 0.00 175.10 171.52 1sxl s ARG 61 N -5.82 3.68 0.04 1.54 0.52 -1.19 -2.53 118.95 115.19 1sxl s ARG 61 Ca 0.73 -0.48 -0.27 0.00 -0.52 0.00 0.00 55.73 55.19 1sxl s ARG 61 Cb -0.05 -3.18 0.09 0.00 0.52 0.00 0.00 34.95 32.33 1sxl s ARG 61 CO 0.53 -0.02 0.77 -0.47 0.02 0.00 0.00 175.30 176.13 1sxl s TYR 62 N 1.13 -0.45 0.22 -0.53 6.14 -1.25 -3.28 117.35 119.33 1sxl s TYR 62 Ca 0.03 0.37 0.00 0.00 0.64 0.00 0.00 57.07 58.12 1sxl s TYR 62 Cb -0.14 0.53 0.00 0.00 0.42 0.00 0.00 41.96 42.76 1sxl s TYR 62 CO 0.02 -0.65 0.00 0.27 0.64 0.00 0.00 175.55 175.83 1sxl n ASN 63 N -0.12 -1.12 -4.52 4.32 6.94 -1.11 -1.53 115.26 118.12 1sxl n ASN 63 Ca -0.13 0.40 -0.37 0.00 -0.02 0.00 0.00 54.58 54.45 1sxl n ASN 63 Cb 0.62 1.21 -0.10 0.00 -2.36 0.00 0.00 39.78 39.16 1sxl n ASN 63 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1sxl n LYS 64 N -3.07 0.48 -0.26 -3.83 4.81 -1.26 -2.68 118.16 112.35 1sxl n LYS 64 Ca 0.00 -0.03 0.22 0.00 -0.87 0.00 0.00 58.31 57.62 1sxl n LYS 64 Cb 0.00 -2.43 0.36 0.00 0.02 0.00 0.00 35.03 32.99 1sxl n LYS 64 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1sxl n ARG 65 N 8.63 -0.02 0.18 1.64 0.00 -1.25 0.02 116.66 125.86 1sxl n ARG 65 Ca 0.53 0.65 -0.08 0.00 -0.00 0.00 0.00 57.85 58.95 1sxl n ARG 65 Cb 0.28 -1.29 -0.04 0.00 -0.00 0.00 0.00 32.46 31.41 1sxl n ARG 65 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1sxl h GLU 66 N 0.00 -0.47 -0.16 2.89 5.08 -1.90 -1.27 114.58 118.74 1sxl h GLU 66 Ca 0.46 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.90 1sxl h GLU 66 Cb 1.54 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.89 1sxl h GLU 66 CO -0.22 -0.32 0.24 1.05 -1.00 0.00 0.00 179.01 178.76 1sxl h GLU 67 N -0.67 0.00 -0.37 2.33 4.11 -0.74 0.59 114.58 119.82 1sxl h GLU 67 Ca -0.05 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.34 1sxl h GLU 67 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1sxl h GLU 67 CO 0.08 0.00 0.07 0.00 0.07 0.00 0.00 179.01 179.23 1sxl h ALA 68 N 1.68 0.49 -1.12 1.06 0.00 -0.84 0.55 119.26 121.09 1sxl h ALA 68 Ca 0.08 -0.20 0.31 0.00 0.00 0.00 0.00 54.91 55.09 1sxl h ALA 68 Cb 0.55 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 1sxl h ALA 68 CO -0.00 0.19 0.76 0.37 0.00 0.00 0.00 179.25 180.56 1sxl h GLN 69 N 0.45 0.20 0.30 0.00 4.15 0.14 0.64 115.11 121.00 1sxl h GLN 69 Ca 0.11 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1sxl h GLN 69 Cb 0.35 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1sxl h GLN 69 CO 0.01 0.13 -0.15 1.49 -1.93 0.00 0.00 178.83 178.38 1sxl h GLU 70 N 0.21 -0.39 0.00 1.69 4.81 -0.63 0.69 114.58 120.96 1sxl h GLU 70 Ca 0.60 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.85 1sxl h GLU 70 Cb 1.89 0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.36 1sxl h GLU 70 CO -0.18 -0.26 0.00 0.00 -0.73 0.00 0.00 179.01 177.84 1sxl n ALA 71 N -2.27 1.08 -0.05 2.92 0.00 0.21 -0.22 120.51 122.18 1sxl n ALA 71 Ca -0.10 0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 1sxl n ALA 71 Cb 0.18 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 1sxl n ALA 71 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1sxl h ILE 72 N 0.00 0.08 0.00 0.00 1.08 0.17 0.59 117.51 119.42 1sxl h ILE 72 Ca 0.00 -1.06 0.00 0.00 -0.39 0.00 0.00 64.86 63.41 1sxl h ILE 72 Cb 0.03 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 33.93 1sxl h ILE 72 CO 0.00 0.03 0.00 -0.24 -0.69 0.00 0.00 178.15 177.25 1sxl n SER 73 N -4.77 0.00 0.05 1.72 2.88 -0.66 -2.13 113.62 110.70 1sxl n SER 73 Ca -0.01 -1.15 0.00 0.00 -1.33 0.00 0.00 58.87 56.38 1sxl n SER 73 Cb 0.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1sxl n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sxl n ALA 74 N -0.79 3.00 0.87 -1.46 0.00 0.70 -4.80 120.51 118.03 1sxl n ALA 74 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.68 1sxl n ALA 74 Cb 0.05 0.17 0.55 0.00 0.00 0.00 0.00 19.45 20.22 1sxl n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sxl n LEU 75 N -3.05 0.22 -1.74 0.00 4.32 0.18 -3.72 117.00 113.20 1sxl n LEU 75 Ca 0.00 0.52 -0.08 0.00 -0.02 0.00 0.00 56.01 56.44 1sxl n LEU 75 Cb 0.12 -0.46 -0.03 0.00 -1.62 0.00 0.00 43.42 41.44 1sxl n LEU 75 CO 0.00 -0.07 1.20 -3.20 -1.22 0.00 0.00 177.39 174.10 1sxl n ASN 76 N -1.70 5.66 0.00 -1.43 4.05 -0.00 -3.85 115.26 117.99 1sxl n ASN 76 Ca 0.06 -2.62 0.00 0.00 0.45 0.00 0.00 54.58 52.47 1sxl n ASN 76 Cb 0.35 -1.17 0.00 0.00 1.23 0.00 0.00 39.78 40.19 1sxl n ASN 76 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1sxl n ASN 77 N 1.37 0.00 -4.56 1.20 0.23 -1.16 -4.76 115.26 107.58 1sxl n ASN 77 Ca 0.18 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.81 1sxl n ASN 77 Cb 0.59 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.27 1sxl n ASN 77 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1sxl s VAL 78 N 0.00 3.97 0.00 3.53 1.01 -1.25 -4.82 120.40 122.84 1sxl s VAL 78 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1sxl s VAL 78 Cb 0.00 -5.09 0.00 0.00 0.00 0.00 0.00 36.38 31.29 1sxl s VAL 78 CO 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 175.10 173.14 1sxl n ILE 79 N 6.78 0.00 -1.62 2.22 3.06 -1.26 -4.66 119.36 123.87 1sxl n ILE 79 Ca 0.37 0.00 -0.61 0.00 -2.50 0.00 0.00 62.75 60.00 1sxl n ILE 79 Cb 0.50 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.59 1sxl n ILE 79 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1sxl n PRO 80 N -0.21 0.49 -1.41 9.51 -0.04 -1.26 -4.79 135.00 137.28 1sxl n PRO 80 Ca 0.00 0.17 -0.41 0.00 -0.04 0.00 0.00 63.50 63.22 1sxl n PRO 80 Cb 0.00 -1.80 0.01 0.00 -0.04 0.00 0.00 33.50 31.68 1sxl n PRO 80 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1sxl n GLU 81 N 5.49 0.42 0.00 0.54 0.28 -1.26 -3.44 120.64 122.67 1sxl n GLU 81 Ca 0.35 0.16 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 1sxl n GLU 81 Cb 0.03 -1.43 0.00 0.00 1.43 0.00 0.00 31.44 31.48 1sxl n GLU 81 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1sxl n GLY 82 N 1.93 2.95 0.00 -1.84 0.00 -1.26 -5.03 105.19 101.93 1sxl n GLY 82 Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1sxl n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sxl n GLY 83 N 0.00 -2.95 1.04 -0.02 0.00 -1.22 -5.02 105.19 97.02 1sxl n GLY 83 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 46.02 45.53 1sxl n GLY 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sxl n SER 84 N 0.00 -0.01 -3.36 1.61 3.41 -1.26 -5.06 113.62 108.96 1sxl n SER 84 Ca 0.00 -0.55 -0.26 0.00 -0.26 0.00 0.00 58.87 57.81 1sxl n SER 84 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1sxl n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxl n GLN 85 N -0.00 1.60 -1.28 4.33 6.02 -1.26 -4.96 117.38 121.83 1sxl n GLN 85 Ca -0.00 -3.98 -0.02 0.00 -0.01 0.00 0.00 57.00 52.99 1sxl n GLN 85 Cb 0.39 -1.79 0.01 0.00 1.02 0.00 0.00 30.24 29.86 1sxl n GLN 85 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1sxl n PRO 86 N 1.27 0.98 -3.99 -1.09 -0.04 -1.25 -4.76 135.00 126.12 1sxl n PRO 86 Ca 0.26 -0.38 -0.34 0.00 -0.04 0.00 0.00 63.50 63.00 1sxl n PRO 86 Cb 0.46 -0.02 -0.14 0.00 -0.04 0.00 0.00 33.50 33.75 1sxl n PRO 86 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1sxl s LEU 87 N 0.00 3.28 -0.65 1.53 2.34 -1.26 -4.30 118.68 119.62 1sxl s LEU 87 Ca 0.07 -1.03 -0.27 0.00 0.06 0.00 0.00 54.13 52.96 1sxl s LEU 87 Cb -0.01 -1.63 0.02 0.00 -0.56 0.00 0.00 46.19 44.01 1sxl s LEU 87 CO 0.05 -0.15 1.33 -0.55 -1.06 0.00 0.00 176.35 175.96 1sxl s SER 88 N 1.26 6.17 0.52 1.48 0.15 -0.59 -2.99 113.70 119.71 1sxl s SER 88 Ca -0.02 -0.10 -0.17 0.00 0.70 0.00 0.00 55.95 56.36 1sxl s SER 88 Cb -0.18 -2.55 -0.07 0.00 -1.71 0.00 0.00 66.02 61.51 1sxl s SER 88 CO -0.05 -1.76 1.00 0.68 1.20 0.00 0.00 173.24 174.32 1sxl s VAL 89 N 5.83 4.33 0.00 4.45 -7.23 -1.26 -2.45 120.40 124.07 1sxl s VAL 89 Ca 0.43 1.16 0.00 0.00 -1.81 0.00 0.00 61.98 61.76 1sxl s VAL 89 Cb -0.09 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.23 1sxl s VAL 89 CO 0.20 -0.59 0.00 -1.14 -0.31 0.00 0.00 175.10 173.26 1sxl n ARG 90 N -1.56 0.00 -1.64 4.82 0.63 -1.25 -4.92 116.66 112.74 1sxl n ARG 90 Ca 0.07 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.55 1sxl n ARG 90 Cb 0.54 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.42 1sxl n ARG 90 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1sxl n LEU 91 N 0.00 2.53 -4.06 6.15 7.94 -1.25 -2.30 117.00 126.01 1sxl n LEU 91 Ca 0.00 1.16 -0.16 0.00 -1.11 0.00 0.00 56.01 55.90 1sxl n LEU 91 Cb 0.00 -1.36 -0.13 0.00 0.53 0.00 0.00 43.42 42.46 1sxl n LEU 91 CO 0.00 -0.88 -0.43 0.00 -1.11 0.00 0.00 177.39 174.98 1sxl s ALA 92 N -0.50 0.75 0.26 1.96 0.00 -1.26 -4.87 121.76 118.11 1sxl s ALA 92 Ca 0.65 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 51.70 1sxl s ALA 92 Cb -0.69 -0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.25 1sxl s ALA 92 CO 0.55 0.11 0.93 -1.83 0.00 0.00 0.00 175.76 175.51 1sxl s GLU 93 N -0.98 4.75 0.00 0.00 -1.05 -1.26 -4.75 118.70 115.41 1sxl s GLU 93 Ca -0.02 1.41 0.00 0.00 -0.15 0.00 0.00 54.97 56.21 1sxl s GLU 93 Cb -0.07 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.50 1sxl s GLU 93 CO 0.00 0.44 0.00 -1.91 0.95 0.00 0.00 175.26 174.75 1sxl n GLU 94 N 1.19 0.00 0.00 -4.83 4.07 -1.26 -5.09 120.64 114.71 1sxl n GLU 94 Ca -0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 1sxl n GLU 94 Cb 0.48 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.86 1sxl n GLU 94 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1sxl n HIS 95 N -2.61 0.00 0.00 4.31 -0.00 -1.26 -5.16 115.22 110.49 1sxl n HIS 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1sxl n HIS 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1sxl n HIS 95 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1sxl n GLY 96 N -0.29 -0.63 0.52 1.57 0.00 -1.26 -4.88 105.19 100.21 1sxl n GLY 96 Ca 0.00 0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.27 1sxl n GLY 96 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90