#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxl n SER 2 N 0.00 0.98 -0.86 7.83 7.64 -1.26 -5.09 113.62 122.87 1sxl n SER 2 Ca 0.00 0.26 0.10 0.00 1.01 0.00 0.00 58.87 60.24 1sxl n SER 2 Cb 0.00 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1sxl n SER 2 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1sxl n TYR 3 N -3.07 -2.31 -3.63 1.43 4.02 -1.26 -5.08 117.16 107.27 1sxl n TYR 3 Ca -0.25 1.28 -0.01 0.00 -0.01 0.00 0.00 57.90 58.91 1sxl n TYR 3 Cb 1.07 -2.10 -0.02 0.00 -0.02 0.00 0.00 39.34 38.28 1sxl n TYR 3 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sxl s ALA 4 N -3.78 -2.26 0.13 -0.72 0.00 -1.26 -5.13 121.76 108.75 1sxl s ALA 4 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1sxl s ALA 4 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1sxl s ALA 4 CO 0.00 -0.65 0.00 0.54 0.00 0.00 0.00 175.76 175.65 1sxl n ARG 5 N -0.11 -5.22 -1.93 0.00 1.74 -1.26 -5.01 116.66 104.87 1sxl n ARG 5 Ca 0.02 3.75 -0.16 0.00 -0.77 0.00 0.00 57.85 60.69 1sxl n ARG 5 Cb 0.58 -4.26 0.09 0.00 -1.02 0.00 0.00 32.46 27.85 1sxl n ARG 5 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1sxl n PRO 6 N 1.80 0.04 0.00 5.56 -0.04 -1.26 -5.10 135.00 136.00 1sxl n PRO 6 Ca 0.00 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.60 1sxl n PRO 6 Cb 0.00 -0.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 1sxl n PRO 6 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sxl n GLY 7 N -0.39 5.06 0.00 0.55 0.00 -1.26 -4.72 105.19 104.43 1sxl n GLY 7 Ca 0.11 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 4.75 -0.52 0.48 -0.02 0.00 -1.26 -4.73 105.19 103.89 1sxl n GLY 8 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 0.13 -1.86 1.61 0.28 -1.09 -4.76 120.64 114.95 1sxl n GLU 9 Ca 0.00 -0.26 0.00 0.00 -0.16 0.00 0.00 57.16 56.74 1sxl n GLU 9 Cb 0.00 0.33 0.00 0.00 1.43 0.00 0.00 31.44 33.20 1sxl n GLU 9 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1sxl n SER 10 N -0.97 -7.12 -3.78 -1.84 2.88 -1.26 -4.43 113.62 97.10 1sxl n SER 10 Ca -0.01 1.21 -0.28 0.00 -1.33 0.00 0.00 58.87 58.47 1sxl n SER 10 Cb 0.08 -3.87 0.00 0.00 -0.75 0.00 0.00 64.21 59.67 1sxl n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sxl n ILE 11 N 1.26 -2.78 -4.80 2.46 3.06 -1.26 -4.31 119.36 112.98 1sxl n ILE 11 Ca 0.00 -0.13 0.00 0.00 -2.50 0.00 0.00 62.75 60.12 1sxl n ILE 11 Cb 0.00 -2.46 0.00 0.00 0.54 0.00 0.00 39.64 37.72 1sxl n ILE 11 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1sxl n LYS 12 N -2.99 0.00 -3.17 9.51 4.01 -1.22 -3.25 118.16 121.05 1sxl n LYS 12 Ca -0.25 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.57 1sxl n LYS 12 Cb 0.61 0.00 -0.00 0.00 -0.51 0.00 0.00 35.03 35.12 1sxl n LYS 12 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 1sxl s ASP 13 N -4.00 -1.51 -0.45 4.39 -4.77 0.43 -3.68 116.67 107.08 1sxl s ASP 13 Ca 0.00 -0.31 0.07 0.00 -3.30 0.00 0.00 52.55 49.01 1sxl s ASP 13 Cb 0.00 1.93 0.33 0.00 -1.09 0.00 0.00 42.92 44.09 1sxl s ASP 13 CO 0.00 -0.22 1.17 0.41 0.70 0.00 0.00 175.17 177.23 1sxl n THR 14 N 4.86 0.00 -1.97 2.11 -1.04 -1.13 -4.18 114.28 112.93 1sxl n THR 14 Ca 0.08 -1.49 -0.31 0.00 -2.04 0.00 0.00 64.05 60.28 1sxl n THR 14 Cb 0.56 1.39 0.01 0.00 -1.82 0.00 0.00 70.33 70.47 1sxl n THR 14 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1sxl s ASN 15 N -1.25 6.14 -0.04 8.00 2.47 -0.98 -4.23 114.94 125.06 1sxl s ASN 15 Ca 0.22 1.53 -0.01 0.00 0.42 0.00 0.00 52.86 55.02 1sxl s ASN 15 Cb 0.31 -2.49 0.03 0.00 -1.45 0.00 0.00 41.25 37.65 1sxl s ASN 15 CO -0.06 -0.92 0.02 -1.48 -3.72 0.00 0.00 177.10 170.94 1sxl s LEU 16 N -4.89 0.77 -0.56 3.21 2.34 -1.08 -2.74 118.68 115.73 1sxl s LEU 16 Ca 0.57 -0.00 -0.28 0.00 0.06 0.00 0.00 54.13 54.48 1sxl s LEU 16 Cb -0.12 -0.23 0.02 0.00 -0.56 0.00 0.00 46.19 45.30 1sxl s LEU 16 CO 0.47 -0.16 1.35 -0.47 -1.06 0.00 0.00 176.35 176.48 1sxl s TYR 17 N 1.52 2.38 -0.59 3.48 5.04 -0.78 -2.06 117.35 126.34 1sxl s TYR 17 Ca -0.03 0.47 -0.23 0.00 -2.44 0.00 0.00 57.07 54.83 1sxl s TYR 17 Cb -0.13 -4.42 0.05 0.00 0.35 0.00 0.00 41.96 37.81 1sxl s TYR 17 CO -0.03 -1.87 0.94 0.14 -1.34 0.00 0.00 175.55 173.39 1sxl s VAL 18 N 5.71 4.37 0.57 3.14 -7.23 -0.11 -4.20 120.40 122.65 1sxl s VAL 18 Ca 0.50 0.04 -0.02 0.00 -1.81 0.00 0.00 61.98 60.70 1sxl s VAL 18 Cb -0.10 -4.58 0.03 0.00 0.56 0.00 0.00 36.38 32.28 1sxl s VAL 18 CO 0.26 -1.23 0.82 0.42 -0.31 0.00 0.00 175.10 175.06 1sxl s THR 19 N 3.97 3.03 0.00 5.32 -4.23 -1.07 -0.93 115.64 121.73 1sxl s THR 19 Ca 0.27 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1sxl s THR 19 Cb -0.14 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.52 1sxl s THR 19 CO 0.16 -0.15 0.00 0.59 -0.54 0.00 0.00 174.62 174.68 1sxl n ASN 20 N -2.45 -3.61 -4.63 3.99 4.13 -1.06 -1.68 115.26 109.95 1sxl n ASN 20 Ca 0.06 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.89 1sxl n ASN 20 Cb 0.59 -2.08 -0.02 0.00 -1.54 0.00 0.00 39.78 36.72 1sxl n ASN 20 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1sxl s LEU 21 N 0.00 3.90 0.44 3.41 0.20 -0.70 -3.92 118.68 122.01 1sxl s LEU 21 Ca 0.00 1.53 -0.26 0.00 0.69 0.00 0.00 54.13 56.09 1sxl s LEU 21 Cb 0.00 -3.53 -0.09 0.00 -0.43 0.00 0.00 46.19 42.14 1sxl s LEU 21 CO 0.00 -1.21 1.45 -2.16 -0.29 0.00 0.00 176.35 174.14 1sxl s PRO 22 N 4.55 3.73 -0.20 0.98 0.04 -1.26 -3.92 135.00 138.91 1sxl s PRO 22 Ca 0.68 2.47 0.03 0.00 0.04 0.00 0.00 61.00 64.21 1sxl s PRO 22 Cb -0.23 -2.70 0.34 0.00 0.04 0.00 0.00 34.50 31.95 1sxl s PRO 22 CO 0.28 -0.80 1.40 2.89 0.04 0.00 0.00 177.00 180.80 1sxl n ARG 23 N -0.12 1.79 -0.45 4.56 1.85 -1.26 -3.97 116.66 119.06 1sxl n ARG 23 Ca 0.05 -1.47 0.10 0.00 -1.00 0.00 0.00 57.85 55.52 1sxl n ARG 23 Cb 0.41 -1.62 0.32 0.00 -1.05 0.00 0.00 32.46 30.53 1sxl n ARG 23 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1sxl n THR 24 N -0.22 1.36 -4.41 8.89 -1.04 -1.26 -4.95 114.28 112.66 1sxl n THR 24 Ca 0.27 -1.10 -0.20 0.00 -2.04 0.00 0.00 64.05 60.98 1sxl n THR 24 Cb 1.02 0.34 -0.10 0.00 -1.82 0.00 0.00 70.33 69.77 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 -1.38 0.96 0.17 12.58 -5.25 -1.25 -5.16 121.20 121.87 1sxl s ILE 25 Ca 0.47 -2.00 0.08 0.00 -0.99 0.00 0.00 60.65 58.22 1sxl s ILE 25 Cb 0.27 -2.73 -0.04 0.00 2.95 0.00 0.00 42.46 42.91 1sxl s ILE 25 CO 0.28 0.00 -0.08 0.42 -1.79 0.00 0.00 174.94 173.77 1sxl s THR 26 N -3.45 3.30 0.01 8.37 -4.23 -1.26 -5.01 115.64 113.37 1sxl s THR 26 Ca 0.37 -1.57 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 1sxl s THR 26 Cb 0.08 -2.63 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 1sxl s THR 26 CO 0.15 -0.08 1.04 -2.24 -0.54 0.00 0.00 174.62 172.95 1sxl h ASP 27 N 2.96 -0.12 -1.39 3.99 2.03 -1.94 0.28 116.42 122.23 1sxl h ASP 27 Ca -0.47 0.01 0.40 0.00 -0.73 0.00 0.00 57.03 56.25 1sxl h ASP 27 Cb 1.20 0.04 -0.06 0.00 -0.83 0.00 0.00 39.33 39.69 1sxl h ASP 27 CO 0.55 -0.04 1.21 -2.24 -1.03 0.00 0.00 179.24 177.68 1sxl h ASP 28 N -0.05 0.00 0.66 4.15 3.04 -1.97 0.76 116.42 123.02 1sxl h ASP 28 Ca 0.00 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.76 1sxl h ASP 28 Cb 0.05 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.35 1sxl h ASP 28 CO -0.03 0.00 -0.32 -0.61 -2.04 0.00 0.00 179.24 176.25 1sxl h GLN 29 N 0.00 -0.86 -0.01 4.15 4.15 -0.84 -1.86 115.11 119.84 1sxl h GLN 29 Ca 0.66 0.06 0.00 0.00 0.77 0.00 0.00 58.65 60.14 1sxl h GLN 29 Cb 3.07 0.19 -0.00 0.00 0.21 0.00 0.00 27.48 30.95 1sxl h GLN 29 CO -0.01 -0.57 0.36 -0.07 -1.93 0.00 0.00 178.83 176.61 1sxl h LEU 30 N -1.00 0.00 -0.17 -2.39 4.07 -0.51 0.13 115.31 115.44 1sxl h LEU 30 Ca -0.09 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.84 1sxl h LEU 30 Cb 0.68 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 1sxl h LEU 30 CO 0.15 0.00 -0.01 -0.78 -1.08 0.00 0.00 178.44 176.72 1sxl h ASP 31 N 0.00 0.31 -0.28 -0.43 1.82 -0.99 -1.86 116.42 114.99 1sxl h ASP 31 Ca 0.01 -0.32 -0.12 0.00 -0.39 0.00 0.00 57.03 56.21 1sxl h ASP 31 Cb 0.72 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.63 1sxl h ASP 31 CO -0.00 0.55 -0.25 0.74 -1.61 0.00 0.00 179.24 178.68 1sxl h THR 32 N 0.05 1.27 0.00 2.25 2.02 -0.43 -1.42 112.91 116.66 1sxl h THR 32 Ca 0.05 -1.37 -0.01 0.00 0.77 0.00 0.00 66.41 65.85 1sxl h THR 32 Cb 0.40 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1sxl h THR 32 CO 0.01 0.45 -0.06 -0.29 0.37 0.00 0.00 175.52 176.00 1sxl h ILE 33 N 0.66 0.76 0.00 3.11 2.10 -1.27 -3.33 117.51 119.56 1sxl h ILE 33 Ca 0.09 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.79 1sxl h ILE 33 Cb 0.76 1.14 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 1sxl h ILE 33 CO 0.06 0.06 0.00 0.49 -1.08 0.00 0.00 178.15 177.68 1sxl n PHE 34 N -4.06 0.00 -3.19 2.19 3.72 -0.71 -4.99 117.46 110.42 1sxl n PHE 34 Ca -0.03 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.11 1sxl n PHE 34 Cb 0.15 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.72 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 2.56 0.13 0.00 1.37 0.00 -0.59 -4.79 105.19 103.87 1sxl n GLY 35 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1sxl n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sxl n LYS 36 N 0.23 0.00 0.00 1.61 5.02 -1.26 -5.07 118.16 118.69 1sxl n LYS 36 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1sxl n LYS 36 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 1sxl n LYS 36 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1sxl n TYR 37 N -0.61 0.00 -4.76 2.13 4.11 -1.26 -5.11 117.16 111.66 1sxl n TYR 37 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.57 1sxl n TYR 37 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.27 1sxl n TYR 37 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1sxl s GLY 38 N -0.78 3.06 -0.26 -7.48 0.00 -1.26 -5.01 107.32 95.60 1sxl s GLY 38 Ca 0.00 -0.22 0.06 0.00 0.00 0.00 0.00 44.72 44.56 1sxl s GLY 38 CO 0.00 -2.19 1.54 1.44 0.00 0.00 0.00 173.10 173.89 1sxl n SER 39 N -1.30 3.89 -1.61 1.64 7.64 -1.26 -4.71 113.62 117.90 1sxl n SER 39 Ca -0.20 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.74 1sxl n SER 39 Cb 0.67 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1sxl n SER 39 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1sxl n ILE 40 N -0.20 -4.39 0.75 0.44 -0.00 -1.26 -4.61 119.36 110.08 1sxl n ILE 40 Ca 0.33 2.04 0.13 0.00 -0.00 0.00 0.00 62.75 65.25 1sxl n ILE 40 Cb 1.16 -2.88 0.48 0.00 -0.00 0.00 0.00 39.64 38.41 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 -1.24 0.40 0.00 1.39 0.24 -0.57 -4.85 118.33 113.70 1sxl n VAL 41 Ca 0.00 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 1sxl n VAL 41 Cb 0.09 -0.60 0.00 0.00 -1.47 0.00 0.00 33.84 31.86 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 -1.96 0.00 -2.49 7.34 7.27 -1.22 -5.02 117.38 121.30 1sxl n GLN 42 Ca 0.06 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.75 1sxl n GLN 42 Cb 0.38 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.99 1sxl n GLN 42 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1sxl s LYS 43 N -0.19 4.22 0.02 3.69 1.02 -1.26 -2.25 119.74 124.99 1sxl s LYS 43 Ca 0.00 1.62 0.03 0.00 0.02 0.00 0.00 55.97 57.64 1sxl s LYS 43 Cb 0.00 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 1sxl s LYS 43 CO 0.00 -0.12 -0.11 -0.80 -0.92 0.00 0.00 175.35 173.41 1sxl s ASN 44 N -1.38 1.23 0.12 2.83 -0.87 -0.47 -4.88 114.94 111.52 1sxl s ASN 44 Ca 0.56 -0.36 0.05 0.00 -1.57 0.00 0.00 52.86 51.54 1sxl s ASN 44 Cb -0.25 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.25 40.86 1sxl s ASN 44 CO 0.32 0.01 -0.13 -0.51 -2.57 0.00 0.00 177.10 174.22 1sxl s ILE 45 N -0.71 1.26 -0.30 0.60 2.07 -1.26 -1.48 121.20 121.38 1sxl s ILE 45 Ca -0.00 -1.75 -0.13 0.00 -1.41 0.00 0.00 60.65 57.36 1sxl s ILE 45 Cb -0.06 -1.54 0.17 0.00 0.13 0.00 0.00 42.46 41.15 1sxl s ILE 45 CO 0.00 -0.47 0.93 -0.22 -1.91 0.00 0.00 174.94 173.27 1sxl s LEU 46 N -2.54 -0.69 -0.06 8.50 2.96 -0.39 -4.87 118.68 121.60 1sxl s LEU 46 Ca 0.09 0.78 -0.08 0.00 -0.22 0.00 0.00 54.13 54.70 1sxl s LEU 46 Cb -0.04 1.71 -0.29 0.00 0.50 0.00 0.00 46.19 48.08 1sxl s LEU 46 CO 0.02 -0.13 0.60 0.08 -1.32 0.00 0.00 176.35 175.61 1sxl h ARG 47 N 7.69 0.34 0.00 1.98 -0.00 -1.95 -1.58 114.38 120.85 1sxl h ARG 47 Ca -0.16 -0.57 0.00 0.00 -0.00 0.00 0.00 59.98 59.24 1sxl h ARG 47 Cb 1.13 0.21 0.00 0.00 -0.00 0.00 0.00 29.97 31.31 1sxl h ARG 47 CO 0.07 1.25 0.00 -0.40 -0.00 0.00 0.00 179.97 180.89 1sxl n ASP 48 N -3.53 0.00 -1.44 0.08 5.68 -1.26 -4.27 116.55 111.81 1sxl n ASP 48 Ca -0.26 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.03 1sxl n ASP 48 Cb 1.07 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 41.04 1sxl n ASP 48 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1sxl n LYS 49 N 0.00 0.16 0.00 0.11 5.02 -1.26 -4.93 118.16 117.26 1sxl n LYS 49 Ca 0.00 -1.66 0.00 0.00 -2.02 0.00 0.00 58.31 54.63 1sxl n LYS 49 Cb 0.00 0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 1sxl n LYS 49 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1sxl n LEU 50 N 0.15 0.00 0.00 -0.35 7.94 -1.26 -5.05 117.00 118.43 1sxl n LEU 50 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 1sxl n LEU 50 Cb 0.94 0.24 0.00 0.00 0.53 0.00 0.00 43.42 45.13 1sxl n LEU 50 CO -0.08 -0.38 0.00 0.35 -1.11 0.00 0.00 177.39 176.17 1sxl n THR 51 N -2.26 0.00 0.00 1.96 -2.24 -1.26 -5.10 114.28 105.38 1sxl n THR 51 Ca 0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1sxl n THR 51 Cb 0.00 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 1sxl n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sxl n GLY 52 N 2.67 -0.73 3.14 3.38 0.00 -1.26 -5.17 105.19 107.22 1sxl n GLY 52 Ca 0.00 0.25 -0.17 0.00 0.00 0.00 0.00 46.02 46.11 1sxl n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sxl s ARG 53 N 0.00 0.74 -0.60 1.61 1.81 -1.26 -5.10 118.95 116.15 1sxl s ARG 53 Ca 0.00 -0.91 0.04 0.00 -1.72 0.00 0.00 55.73 53.14 1sxl s ARG 53 Cb 0.00 -0.67 0.15 0.00 -0.45 0.00 0.00 34.95 33.98 1sxl s ARG 53 CO 0.00 0.14 0.37 -1.25 -0.68 0.00 0.00 175.30 173.88 1sxl s PRO 54 N -1.73 2.22 0.00 3.54 0.04 -1.26 -4.60 135.00 133.21 1sxl s PRO 54 Ca -0.04 -2.89 0.00 0.00 0.04 0.00 0.00 61.00 58.11 1sxl s PRO 54 Cb -0.10 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1sxl s PRO 54 CO 0.02 -1.18 0.00 2.89 0.04 0.00 0.00 177.00 178.77 1sxl n ARG 55 N 2.71 0.00 0.00 4.56 1.85 -1.26 -5.12 116.66 119.39 1sxl n ARG 55 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 1sxl n ARG 55 Cb 0.33 -0.01 0.00 0.00 -1.05 0.00 0.00 32.46 31.74 1sxl n ARG 55 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1sxl n GLY 56 N -1.09 1.00 3.54 2.89 0.00 -1.26 -4.83 105.19 105.43 1sxl n GLY 56 Ca 0.00 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 2.77 0.18 1.61 -7.23 -0.59 -1.73 120.40 115.41 1sxl s VAL 57 Ca 0.00 -2.22 -0.15 0.00 -1.81 0.00 0.00 61.98 57.80 1sxl s VAL 57 Cb 0.00 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.44 1sxl s VAL 57 CO 0.00 -0.37 0.45 0.00 -0.31 0.00 0.00 175.10 174.87 1sxl s ALA 58 N -2.46 -0.70 -0.23 1.32 0.00 -0.11 -1.26 121.76 118.32 1sxl s ALA 58 Ca 0.31 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.90 1sxl s ALA 58 Cb -0.05 0.83 0.06 0.00 0.00 0.00 0.00 23.12 23.97 1sxl s ALA 58 CO 0.17 -0.75 -0.02 -0.06 0.00 0.00 0.00 175.76 175.10 1sxl s PHE 59 N -3.89 2.06 -0.22 0.00 0.40 -0.55 -0.94 117.98 114.84 1sxl s PHE 59 Ca 0.10 -1.57 -0.29 0.00 -0.60 0.00 0.00 56.93 54.57 1sxl s PHE 59 Cb 0.00 -1.49 0.01 0.00 0.51 0.00 0.00 43.02 42.05 1sxl s PHE 59 CO -0.03 -0.75 1.04 0.08 0.70 0.00 0.00 175.22 176.26 1sxl s VAL 60 N 1.51 4.68 -0.67 -0.44 1.01 -0.87 -1.37 120.40 124.25 1sxl s VAL 60 Ca -0.03 2.02 -0.22 0.00 0.00 0.00 0.00 61.98 63.74 1sxl s VAL 60 Cb -0.18 -4.30 0.07 0.00 0.00 0.00 0.00 36.38 31.97 1sxl s VAL 60 CO -0.08 -0.16 0.97 -0.60 0.00 0.00 0.00 175.10 175.23 1sxl s ARG 61 N 3.08 3.12 -0.69 2.72 3.52 -0.95 -2.63 118.95 127.12 1sxl s ARG 61 Ca 0.45 -0.85 0.05 0.00 -0.13 0.00 0.00 55.73 55.25 1sxl s ARG 61 Cb -0.16 -4.25 0.21 0.00 -1.56 0.00 0.00 34.95 29.20 1sxl s ARG 61 CO 0.07 -1.82 0.65 0.66 -0.81 0.00 0.00 175.30 174.06 1sxl n TYR 62 N 7.70 3.49 0.63 5.12 4.02 -1.26 -1.51 117.16 135.35 1sxl n TYR 62 Ca -0.03 -4.20 0.06 0.00 -0.01 0.00 0.00 57.90 53.72 1sxl n TYR 62 Cb 0.45 -0.63 0.33 0.00 -0.02 0.00 0.00 39.34 39.48 1sxl n TYR 62 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1sxl n ASN 63 N 1.40 0.00 -4.84 7.72 3.02 -1.26 -2.32 115.26 118.98 1sxl n ASN 63 Ca 0.25 0.03 -0.34 0.00 -0.03 0.00 0.00 54.58 54.49 1sxl n ASN 63 Cb 0.38 -0.25 -0.06 0.00 -0.61 0.00 0.00 39.78 39.24 1sxl n ASN 63 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1sxl s LYS 64 N -2.49 4.05 -0.05 3.52 -0.14 -1.20 0.16 119.74 123.59 1sxl s LYS 64 Ca 0.13 0.62 -0.15 0.00 -1.36 0.00 0.00 55.97 55.21 1sxl s LYS 64 Cb 0.09 -2.77 -0.09 0.00 -1.68 0.00 0.00 37.83 33.37 1sxl s LYS 64 CO 0.19 0.36 0.61 0.00 -0.76 0.00 0.00 175.35 175.75 1sxl h ARG 65 N 3.11 -0.40 -0.54 1.68 2.47 -1.86 -2.18 114.38 116.66 1sxl h ARG 65 Ca -0.48 0.03 0.06 0.00 -1.26 0.00 0.00 59.98 58.33 1sxl h ARG 65 Cb 1.19 0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 29.55 1sxl h ARG 65 CO 0.66 -0.19 0.25 1.49 0.56 0.00 0.00 179.97 182.74 1sxl h GLU 66 N -1.07 0.46 -0.79 0.04 4.81 -1.97 -0.42 114.58 115.65 1sxl h GLU 66 Ca -0.04 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.29 1sxl h GLU 66 Cb 0.40 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.59 1sxl h GLU 66 CO 0.07 0.31 0.39 0.93 -0.73 0.00 0.00 179.01 179.98 1sxl h GLU 67 N 0.48 0.57 -0.84 1.92 3.07 -1.94 0.17 114.58 118.01 1sxl h GLU 67 Ca 0.25 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.05 1sxl h GLU 67 Cb 0.21 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 1sxl h GLU 67 CO -0.20 0.38 0.44 0.00 -1.40 0.00 0.00 179.01 178.23 1sxl h ALA 68 N 1.52 1.08 -0.85 3.43 0.00 -0.43 0.12 119.26 124.13 1sxl h ALA 68 Ca 0.42 -0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.42 1sxl h ALA 68 Cb 0.56 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1sxl h ALA 68 CO -0.34 0.61 0.60 0.37 0.00 0.00 0.00 179.25 180.49 1sxl h GLN 69 N 1.18 0.10 0.00 0.00 4.15 0.31 -0.53 115.11 120.32 1sxl h GLN 69 Ca 0.29 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.71 1sxl h GLN 69 Cb 0.06 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1sxl h GLN 69 CO -0.04 0.07 0.00 0.39 -1.93 0.00 0.00 178.83 177.31 1sxl n GLU 70 N -4.35 0.00 -0.48 1.69 4.71 0.25 -2.52 120.64 119.94 1sxl n GLU 70 Ca 0.18 0.39 0.39 0.00 -0.01 0.00 0.00 57.16 58.10 1sxl n GLU 70 Cb 0.85 -0.89 0.60 0.00 -1.01 0.00 0.00 31.44 30.99 1sxl n GLU 70 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1sxl n ALA 71 N -1.68 1.38 -0.03 0.62 0.00 -0.26 0.77 120.51 121.31 1sxl n ALA 71 Ca 0.00 0.47 -0.00 0.00 0.00 0.00 0.00 53.44 53.91 1sxl n ALA 71 Cb 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.00 -0.21 0.00 2.04 -1.20 0.22 117.51 118.35 1sxl h ILE 72 Ca 0.68 -0.66 -0.11 0.00 1.00 0.00 0.00 64.86 65.77 1sxl h ILE 72 Cb 2.97 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 38.98 1sxl h ILE 72 CO -0.01 0.00 0.14 -1.20 0.00 0.00 0.00 178.15 177.08 1sxl n SER 73 N -3.84 3.28 0.06 1.72 7.64 0.43 -2.27 113.62 120.65 1sxl n SER 73 Ca -0.00 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.52 1sxl n SER 73 Cb 0.02 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1sxl n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sxl n ALA 74 N 0.19 1.18 0.10 -0.43 0.00 0.23 -4.91 120.51 116.88 1sxl n ALA 74 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 1sxl n ALA 74 Cb 0.74 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.07 1sxl n ALA 74 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1sxl h LEU 75 N 0.00 0.38 -8.07 0.00 4.07 -0.66 -3.42 115.31 107.61 1sxl h LEU 75 Ca 0.00 -0.39 -0.41 0.00 0.08 0.00 0.00 57.88 57.15 1sxl h LEU 75 Cb 0.00 -0.12 -0.09 0.00 1.08 0.00 0.00 40.66 41.53 1sxl h LEU 75 CO 0.00 1.29 1.75 -3.20 -1.08 0.00 0.00 178.44 177.20 1sxl n ASN 76 N -3.54 -0.14 -1.43 -0.43 4.05 0.29 -1.31 115.26 112.75 1sxl n ASN 76 Ca -0.07 -0.25 0.00 0.00 0.45 0.00 0.00 54.58 54.71 1sxl n ASN 76 Cb 0.99 -0.87 0.00 0.00 1.23 0.00 0.00 39.78 41.13 1sxl n ASN 76 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1sxl n ASN 77 N 9.52 -1.91 -1.84 1.20 5.03 -1.10 -4.85 115.26 121.30 1sxl n ASN 77 Ca 0.63 0.00 -0.16 0.00 0.87 0.00 0.00 54.58 55.93 1sxl n ASN 77 Cb 0.14 -0.96 0.04 0.00 -1.02 0.00 0.00 39.78 37.98 1sxl n ASN 77 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1sxl n VAL 78 N -0.62 2.66 -3.69 2.41 0.24 -0.42 -4.76 118.33 114.14 1sxl n VAL 78 Ca 0.00 -1.53 -0.10 0.00 -2.04 0.00 0.00 64.34 60.67 1sxl n VAL 78 Cb 0.15 -1.25 -0.11 0.00 -1.47 0.00 0.00 33.84 31.16 1sxl n VAL 78 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1sxl s ILE 79 N -2.16 -0.13 0.06 1.34 1.01 -1.26 -5.02 121.20 115.04 1sxl s ILE 79 Ca 0.30 0.11 -0.38 0.00 0.00 0.00 0.00 60.65 60.68 1sxl s ILE 79 Cb 0.24 -0.62 -0.18 0.00 0.01 0.00 0.00 42.46 41.90 1sxl s ILE 79 CO 0.00 0.04 1.17 -0.81 0.00 0.00 0.00 174.94 175.34 1sxl n PRO 80 N 4.45 0.57 -1.48 2.79 -0.04 -1.26 -4.58 135.00 135.45 1sxl n PRO 80 Ca -0.21 0.20 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 1sxl n PRO 80 Cb 0.54 -1.74 -0.11 0.00 -0.04 0.00 0.00 33.50 32.15 1sxl n PRO 80 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1sxl n GLU 81 N 1.92 0.41 -0.56 0.54 1.02 -1.26 -4.53 120.64 118.17 1sxl n GLU 81 Ca 0.19 0.04 -0.01 0.00 -0.02 0.00 0.00 57.16 57.36 1sxl n GLU 81 Cb 0.15 -2.13 -0.01 0.00 -0.02 0.00 0.00 31.44 29.43 1sxl n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sxl n GLY 82 N 6.47 0.87 2.31 0.62 0.00 -1.26 -4.97 105.19 109.23 1sxl n GLY 82 Ca 0.54 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.43 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 0.01 1.09 0.90 -0.02 0.00 -1.26 -4.86 105.19 101.05 1sxl n GLY 83 Ca -0.02 -0.50 0.04 0.00 0.00 0.00 0.00 46.02 45.53 1sxl n GLY 83 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sxl n SER 84 N 0.15 2.52 -1.22 1.61 2.88 -1.26 -4.98 113.62 113.32 1sxl n SER 84 Ca -0.11 -2.25 0.00 0.00 -1.33 0.00 0.00 58.87 55.18 1sxl n SER 84 Cb 0.40 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1sxl n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sxl n GLN 85 N 0.33 -2.91 -1.31 -1.46 6.02 -1.26 -4.78 117.38 112.00 1sxl n GLN 85 Ca 0.11 2.23 0.00 0.00 -0.01 0.00 0.00 57.00 59.33 1sxl n GLN 85 Cb 0.51 -2.24 0.00 0.00 1.02 0.00 0.00 30.24 29.53 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 0.69 1.80 -3.66 -1.09 -0.04 -1.25 -4.68 135.00 126.77 1sxl n PRO 86 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1sxl n PRO 86 Cb 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.34 1sxl n PRO 86 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sxl s LEU 87 N 0.00 4.27 -0.57 1.53 1.02 -1.26 -3.33 118.68 120.34 1sxl s LEU 87 Ca 0.00 -0.74 -0.28 0.00 0.02 0.00 0.00 54.13 53.13 1sxl s LEU 87 Cb 0.00 -1.98 0.03 0.00 0.02 0.00 0.00 46.19 44.26 1sxl s LEU 87 CO 0.00 -0.26 1.21 -0.94 0.02 0.00 0.00 176.35 176.38 1sxl s SER 88 N 1.56 6.43 0.77 2.29 1.04 -0.67 -2.72 113.70 122.40 1sxl s SER 88 Ca 0.03 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1sxl s SER 88 Cb -0.18 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1sxl s SER 88 CO 0.06 -1.49 0.00 1.33 0.98 0.00 0.00 173.24 174.11 1sxl n VAL 89 N 6.69 0.00 -0.13 5.02 0.24 -1.26 -2.59 118.33 126.31 1sxl n VAL 89 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1sxl n VAL 89 Cb 0.49 -1.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.04 1sxl n VAL 89 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1sxl n ARG 90 N -0.84 0.00 -0.76 7.34 0.00 -1.26 -4.66 116.66 116.48 1sxl n ARG 90 Ca 0.00 0.12 -0.34 0.00 -0.00 0.00 0.00 57.85 57.63 1sxl n ARG 90 Cb 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 32.46 32.58 1sxl n ARG 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1sxl n LEU 91 N 0.00 -2.34 0.00 6.15 0.00 -1.11 -1.87 117.00 117.82 1sxl n LEU 91 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 56.01 55.97 1sxl n LEU 91 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 43.42 42.52 1sxl n LEU 91 CO 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 177.39 174.22 1sxl n ALA 92 N -4.08 0.00 -0.46 1.96 0.00 -1.26 -4.54 120.51 112.13 1sxl n ALA 92 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1sxl n ALA 92 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1sxl n ALA 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1sxl n GLU 93 N 0.00 0.00 -4.07 0.00 1.02 -1.26 -4.74 120.64 111.58 1sxl n GLU 93 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 1sxl n GLU 93 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.25 1sxl n GLU 93 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1sxl s GLU 94 N 0.00 1.21 0.03 3.49 2.02 -1.26 -5.00 118.70 119.19 1sxl s GLU 94 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 54.81 1sxl s GLU 94 Cb 0.00 -1.25 0.00 0.00 0.10 0.00 0.00 34.13 32.98 1sxl s GLU 94 CO 0.00 -0.17 0.00 0.72 0.02 0.00 0.00 175.26 175.83 1sxl n HIS 95 N 4.55 -4.28 -0.44 1.61 8.25 -1.26 -5.06 115.22 118.58 1sxl n HIS 95 Ca -0.16 2.55 0.00 0.00 -0.26 0.00 0.00 57.72 59.84 1sxl n HIS 95 Cb 0.51 -3.48 0.00 0.00 1.12 0.00 0.00 29.99 28.13 1sxl n HIS 95 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sxl n GLY 96 N 1.88 2.94 0.44 -1.41 0.00 -1.26 -5.13 105.19 102.65 1sxl n GLY 96 Ca 0.00 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 45.96 1sxl n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60