#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 0.00 -4.08 3.17 2.88 -1.26 -5.08 113.62 109.25 1sxl n SER 2 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 1sxl n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1sxl n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sxl n TYR 3 N 0.00 4.10 -0.55 0.66 4.11 -1.26 -4.98 117.16 119.25 1sxl n TYR 3 Ca 0.00 -3.83 0.00 0.00 -0.00 0.00 0.00 57.90 54.07 1sxl n TYR 3 Cb 0.00 -1.24 0.00 0.00 -0.00 0.00 0.00 39.34 38.10 1sxl n TYR 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1sxl n ALA 4 N 2.08 -1.02 -2.42 -3.48 0.00 -1.26 -4.84 120.51 109.56 1sxl n ALA 4 Ca 0.24 0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.66 1sxl n ALA 4 Cb 0.37 -0.84 0.02 0.00 0.00 0.00 0.00 19.45 19.00 1sxl n ALA 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sxl n ARG 5 N -1.87 2.83 -1.60 0.00 1.74 -1.26 -5.05 116.66 111.45 1sxl n ARG 5 Ca 0.00 -4.03 -0.44 0.00 -0.77 0.00 0.00 57.85 52.60 1sxl n ARG 5 Cb 0.17 -1.98 -0.04 0.00 -1.02 0.00 0.00 32.46 29.58 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 -0.49 2.05 0.00 5.56 -0.04 -1.26 -4.53 135.00 136.28 1sxl n PRO 6 Ca 0.30 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 1sxl n PRO 6 Cb 0.80 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 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 5.52 -1.62 0.00 0.55 0.00 -1.00 -4.88 105.19 103.76 1sxl n GLY 7 Ca 0.29 0.78 0.00 0.00 0.00 0.00 0.00 46.02 47.09 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 0.00 5.26 3.22 -0.02 0.00 -1.21 -4.59 105.19 107.87 1sxl n GLY 8 Ca 0.00 -1.48 0.04 0.00 0.00 0.00 0.00 46.02 44.58 1sxl n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sxl s GLU 9 N 2.99 0.26 0.00 1.61 1.03 -1.26 -4.94 118.70 118.39 1sxl s GLU 9 Ca 0.00 0.53 0.00 0.00 0.03 0.00 0.00 54.97 55.53 1sxl s GLU 9 Cb 0.00 0.30 0.00 0.00 -0.80 0.00 0.00 34.13 33.63 1sxl s GLU 9 CO 0.00 -0.22 0.00 0.43 -1.33 0.00 0.00 175.26 174.14 1sxl n SER 10 N 5.30 0.00 -3.08 0.83 7.64 -1.25 -4.85 113.62 118.21 1sxl n SER 10 Ca -0.07 -0.73 -0.13 0.00 1.01 0.00 0.00 58.87 58.95 1sxl n SER 10 Cb 0.53 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.71 1sxl n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sxl n ILE 11 N 0.00 -0.10 0.00 0.44 0.00 -1.26 0.65 119.36 119.09 1sxl n ILE 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 1sxl n ILE 11 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 39.64 39.30 1sxl n ILE 11 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1sxl n LYS 12 N -3.00 0.00 0.00 9.51 4.81 -1.26 -4.51 118.16 123.71 1sxl n LYS 12 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1sxl n LYS 12 Cb 0.50 -0.52 0.00 0.00 0.02 0.00 0.00 35.03 35.02 1sxl n LYS 12 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1sxl n ASP 13 N 0.69 0.00 -3.19 3.14 9.92 0.21 -5.02 116.55 122.29 1sxl n ASP 13 Ca 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.27 1sxl n ASP 13 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 1sxl n ASP 13 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1sxl s THR 14 N -0.53 -0.98 0.81 -3.53 2.01 0.35 -3.74 115.64 110.02 1sxl s THR 14 Ca 0.00 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.88 1sxl s THR 14 Cb 0.00 -0.16 0.08 0.00 0.01 0.00 0.00 72.50 72.43 1sxl s THR 14 CO 0.00 0.00 1.16 0.21 -0.69 0.00 0.00 174.62 175.30 1sxl s ASN 15 N 2.01 4.49 -0.06 3.53 2.47 -1.24 -4.11 114.94 122.03 1sxl s ASN 15 Ca 0.15 0.86 -0.04 0.00 0.42 0.00 0.00 52.86 54.25 1sxl s ASN 15 Cb -0.05 -1.40 0.02 0.00 -1.45 0.00 0.00 41.25 38.38 1sxl s ASN 15 CO -0.10 -1.93 0.15 -1.48 -3.72 0.00 0.00 177.10 170.02 1sxl s LEU 16 N -5.62 1.15 0.20 3.21 2.34 -1.08 -4.06 118.68 114.82 1sxl s LEU 16 Ca 0.62 0.30 -0.22 0.00 0.06 0.00 0.00 54.13 54.89 1sxl s LEU 16 Cb -0.12 0.46 -0.08 0.00 -0.56 0.00 0.00 46.19 45.89 1sxl s LEU 16 CO 0.50 -0.09 0.74 -0.47 -1.06 0.00 0.00 176.35 175.97 1sxl s TYR 17 N 0.52 3.74 0.11 3.48 6.14 -0.97 -2.63 117.35 127.75 1sxl s TYR 17 Ca -0.04 1.47 0.04 0.00 0.64 0.00 0.00 57.07 59.18 1sxl s TYR 17 Cb -0.05 -2.67 -0.04 0.00 0.42 0.00 0.00 41.96 39.62 1sxl s TYR 17 CO -0.02 0.41 -0.10 0.14 0.64 0.00 0.00 175.55 176.62 1sxl s VAL 18 N -1.38 0.97 0.07 3.14 -7.23 -1.01 -2.71 120.40 112.25 1sxl s VAL 18 Ca 0.40 -1.78 -0.06 0.00 -1.81 0.00 0.00 61.98 58.73 1sxl s VAL 18 Cb -0.19 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 1sxl s VAL 18 CO 0.23 -0.64 0.10 -0.89 -0.31 0.00 0.00 175.10 173.58 1sxl s THR 19 N -2.81 0.17 -0.01 5.32 2.01 -1.06 -1.75 115.64 117.51 1sxl s THR 19 Ca 0.09 -1.38 -0.00 0.00 0.31 0.00 0.00 61.69 60.71 1sxl s THR 19 Cb -0.01 -1.34 0.00 0.00 0.01 0.00 0.00 72.50 71.17 1sxl s THR 19 CO -0.00 -0.76 0.00 -3.20 -0.69 0.00 0.00 174.62 169.96 1sxl n ASN 20 N 0.12 -2.15 -3.51 3.53 2.85 -1.08 -1.68 115.26 113.34 1sxl n ASN 20 Ca -0.15 0.03 -0.17 0.00 -0.11 0.00 0.00 54.58 54.17 1sxl n ASN 20 Cb 0.61 -1.11 -0.06 0.00 1.24 0.00 0.00 39.78 40.47 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 -0.22 -0.65 0.00 1.20 -0.00 -1.23 -2.18 118.68 115.60 1sxl s LEU 21 Ca 0.00 0.66 -0.09 0.00 -0.00 0.00 0.00 54.13 54.70 1sxl s LEU 21 Cb -0.00 2.54 0.15 0.00 -0.00 0.00 0.00 46.19 48.88 1sxl s LEU 21 CO 0.02 -0.64 0.88 -0.81 -0.00 0.00 0.00 176.35 175.80 1sxl n PRO 22 N 0.80 -0.70 0.00 1.48 -0.04 -1.26 -4.77 135.00 130.51 1sxl n PRO 22 Ca -0.19 -1.52 0.09 0.00 -0.04 0.00 0.00 63.50 61.84 1sxl n PRO 22 Cb 0.58 -0.85 0.54 0.00 -0.04 0.00 0.00 33.50 33.72 1sxl n PRO 22 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1sxl n ARG 23 N -2.83 0.85 0.00 0.54 0.63 -1.26 -4.51 116.66 110.09 1sxl n ARG 23 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 1sxl n ARG 23 Cb 0.40 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 31.98 1sxl n ARG 23 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1sxl n THR 24 N -0.83 0.00 -1.51 5.15 -1.04 -1.26 -4.63 114.28 110.16 1sxl n THR 24 Ca 0.14 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.12 1sxl n THR 24 Cb 0.06 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.56 1sxl n THR 24 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1sxl n ILE 25 N 0.00 -0.03 -0.83 12.58 2.08 -1.26 -4.77 119.36 127.12 1sxl n ILE 25 Ca 0.00 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 63.02 1sxl n ILE 25 Cb 0.00 -0.26 0.03 0.00 -0.75 0.00 0.00 39.64 38.66 1sxl n ILE 25 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1sxl n THR 26 N -1.62 0.00 0.28 1.39 -2.24 -1.26 -4.25 114.28 106.57 1sxl n THR 26 Ca -0.02 -0.40 0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1sxl n THR 26 Cb 0.21 0.00 0.78 0.00 -2.10 0.00 0.00 70.33 69.23 1sxl n THR 26 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1sxl h ASP 27 N -0.65 0.00 0.59 3.42 3.32 -1.91 0.23 116.42 121.43 1sxl h ASP 27 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1sxl h ASP 27 Cb 1.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1sxl h ASP 27 CO 0.21 0.01 -0.71 -0.67 -1.72 0.00 0.00 179.24 176.36 1sxl n ASP 28 N -4.15 0.62 -0.02 6.45 -0.08 -1.26 -3.50 116.55 114.61 1sxl n ASP 28 Ca -0.03 -0.13 -0.00 0.00 -1.51 0.00 0.00 54.79 53.12 1sxl n ASP 28 Cb 0.09 0.39 -0.00 0.00 2.34 0.00 0.00 41.12 43.95 1sxl n ASP 28 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1sxl h GLN 29 N 0.00 -0.00 -0.26 -0.67 4.20 -1.20 -2.51 115.11 114.67 1sxl h GLN 29 Ca 0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 1sxl h GLN 29 Cb 0.65 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1sxl h GLN 29 CO 0.00 -0.00 0.21 -0.07 -0.67 0.00 0.00 178.83 178.29 1sxl h LEU 30 N -0.34 0.00 -0.57 1.46 4.07 -1.68 0.14 115.31 118.38 1sxl h LEU 30 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1sxl h LEU 30 Cb 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 1sxl h LEU 30 CO 0.00 0.00 0.27 -0.78 -1.08 0.00 0.00 178.44 176.85 1sxl h ASP 31 N 0.00 0.75 0.31 -0.43 1.82 -1.65 0.12 116.42 117.34 1sxl h ASP 31 Ca 0.12 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1sxl h ASP 31 Cb 0.53 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.33 1sxl h ASP 31 CO -0.00 0.67 -0.35 0.74 -1.61 0.00 0.00 179.24 178.69 1sxl h THR 32 N 0.77 0.27 0.00 2.25 2.02 -0.25 0.36 112.91 118.33 1sxl h THR 32 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.38 1sxl h THR 32 Cb 0.12 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1sxl h THR 32 CO -0.02 0.00 0.00 -0.29 0.37 0.00 0.00 175.52 175.58 1sxl h ILE 33 N -0.70 0.00 0.00 3.11 6.09 -1.29 -3.35 117.51 121.37 1sxl h ILE 33 Ca -0.01 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1sxl h ILE 33 Cb 0.65 0.96 0.00 0.00 0.47 0.00 0.00 36.82 38.90 1sxl h ILE 33 CO -0.09 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.48 1sxl n PHE 34 N -2.85 0.00 -3.11 2.19 3.72 0.91 -4.83 117.46 113.48 1sxl n PHE 34 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1sxl n PHE 34 Cb 0.11 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 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 3.87 0.00 0.00 1.37 0.00 0.71 -4.06 105.19 107.07 1sxl n GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sxl n GLY 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sxl n LYS 36 N -0.75 0.00 -2.57 1.61 3.00 -1.26 -5.02 118.16 113.17 1sxl n LYS 36 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.11 1sxl n LYS 36 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 1sxl n LYS 36 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 1sxl n TYR 37 N 0.00 2.49 -2.66 5.64 4.11 -1.26 -4.96 117.16 120.53 1sxl n TYR 37 Ca 0.00 -3.02 -0.12 0.00 -0.00 0.00 0.00 57.90 54.76 1sxl n TYR 37 Cb 0.00 -0.21 -0.03 0.00 -0.00 0.00 0.00 39.34 39.10 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 -0.30 -0.09 1.69 -7.48 0.00 -1.26 -4.64 105.19 93.11 1sxl n GLY 38 Ca 0.27 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 1sxl n GLY 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sxl n SER 39 N -0.38 4.75 0.00 1.61 3.41 -1.26 -4.12 113.62 117.63 1sxl n SER 39 Ca -0.01 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.74 1sxl n SER 39 Cb 0.17 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1sxl n SER 39 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1sxl n ILE 40 N 0.08 0.00 0.55 -1.33 -5.35 -1.19 -4.24 119.36 107.87 1sxl n ILE 40 Ca 0.27 0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.80 1sxl n ILE 40 Cb 0.81 0.00 0.18 0.00 -1.74 0.00 0.00 39.64 38.89 1sxl n ILE 40 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1sxl n VAL 41 N 0.00 0.81 0.00 7.28 0.24 0.28 -4.37 118.33 122.57 1sxl n VAL 41 Ca 0.00 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 1sxl n VAL 41 Cb 0.00 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 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 0.50 0.00 -1.39 7.34 7.27 -1.26 -5.04 117.38 124.80 1sxl n GLN 42 Ca 0.13 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.77 1sxl n GLN 42 Cb 0.46 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.10 1sxl n GLN 42 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1sxl n LYS 43 N 0.00 0.26 -3.68 3.69 2.85 -1.26 -4.76 118.16 115.26 1sxl n LYS 43 Ca 0.00 0.10 -0.14 0.00 -1.05 0.00 0.00 58.31 57.21 1sxl n LYS 43 Cb 0.00 -1.22 -0.08 0.00 -0.65 0.00 0.00 35.03 33.09 1sxl n LYS 43 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1sxl s ASN 44 N -0.96 -0.33 0.51 -5.58 3.04 -1.01 -4.92 114.94 105.71 1sxl s ASN 44 Ca 0.62 0.23 0.08 0.00 0.04 0.00 0.00 52.86 53.82 1sxl s ASN 44 Cb -0.69 0.39 0.08 0.00 -1.54 0.00 0.00 41.25 39.48 1sxl s ASN 44 CO 0.60 -0.53 0.65 -0.38 -3.04 0.00 0.00 177.10 174.40 1sxl n ILE 45 N 1.03 0.00 -3.39 -5.21 5.41 -1.26 -1.56 119.36 114.38 1sxl n ILE 45 Ca -0.20 -1.77 -0.14 0.00 1.00 0.00 0.00 62.75 61.64 1sxl n ILE 45 Cb 0.57 -0.47 -0.09 0.00 -0.71 0.00 0.00 39.64 38.94 1sxl n ILE 45 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1sxl s LEU 46 N 0.00 -0.42 0.00 1.39 1.98 0.61 -4.76 118.68 117.49 1sxl s LEU 46 Ca 0.49 -0.29 0.01 0.00 -2.89 0.00 0.00 54.13 51.46 1sxl s LEU 46 Cb -0.04 0.76 0.01 0.00 0.66 0.00 0.00 46.19 47.58 1sxl s LEU 46 CO 0.31 -0.34 0.09 -2.11 -1.89 0.00 0.00 176.35 172.41 1sxl n ARG 47 N 5.34 1.33 -1.34 1.98 1.85 -1.26 -1.59 116.66 122.97 1sxl n ARG 47 Ca -0.03 -0.97 -0.30 0.00 -1.00 0.00 0.00 57.85 55.56 1sxl n ARG 47 Cb 0.49 0.13 0.20 0.00 -1.05 0.00 0.00 32.46 32.23 1sxl n ARG 47 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1sxl s ASP 48 N -1.87 2.04 -0.04 2.89 -4.77 -1.26 -4.95 116.67 108.71 1sxl s ASP 48 Ca 0.07 0.70 -0.05 0.00 -3.30 0.00 0.00 52.55 49.98 1sxl s ASP 48 Cb -0.01 -1.04 -0.02 0.00 -1.09 0.00 0.00 42.92 40.77 1sxl s ASP 48 CO 0.05 -3.44 -0.10 0.29 0.70 0.00 0.00 175.17 172.67 1sxl n LYS 49 N -4.31 0.15 0.00 2.11 5.02 -1.26 -4.98 118.16 114.89 1sxl n LYS 49 Ca 0.11 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1sxl n LYS 49 Cb 0.59 -0.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.93 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 -3.17 1.41 -3.86 -0.35 0.00 -1.26 -5.13 117.00 104.63 1sxl n LEU 50 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 55.88 1sxl n LEU 50 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.57 1sxl n LEU 50 CO 0.06 0.20 0.45 0.42 0.00 0.00 0.00 177.39 178.52 1sxl s THR 51 N -1.61 0.00 0.00 1.96 -4.23 -1.26 -4.97 115.64 105.53 1sxl s THR 51 Ca 0.00 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1sxl s THR 51 Cb 0.00 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1sxl s THR 51 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1sxl n GLY 52 N -0.50 2.39 2.89 3.99 0.00 -1.26 -4.83 105.19 107.87 1sxl n GLY 52 Ca -0.06 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 1sxl n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxl n ARG 53 N 0.00 -2.59 0.24 1.61 1.74 -1.26 -4.89 116.66 111.50 1sxl n ARG 53 Ca 0.00 2.21 -0.15 0.00 -0.77 0.00 0.00 57.85 59.13 1sxl n ARG 53 Cb 0.00 -4.40 -0.08 0.00 -1.02 0.00 0.00 32.46 26.96 1sxl n ARG 53 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1sxl h PRO 54 N 2.91 -0.54 0.00 5.56 0.13 -1.94 -3.47 132.00 134.65 1sxl h PRO 54 Ca -0.04 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1sxl h PRO 54 Cb 0.47 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1sxl h PRO 54 CO 0.11 -0.33 0.00 2.89 -0.23 0.00 0.00 178.00 180.44 1sxl n ARG 55 N -5.31 0.00 0.00 0.86 0.00 -1.26 -5.12 116.66 105.84 1sxl n ARG 55 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.74 1sxl n ARG 55 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.71 1sxl n ARG 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sxl n GLY 56 N 0.00 1.59 3.59 2.89 0.00 -1.26 -4.77 105.19 107.24 1sxl n GLY 56 Ca 0.00 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 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 0.75 0.30 1.61 -7.23 -0.62 -2.62 120.40 112.59 1sxl s VAL 57 Ca 0.00 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.22 1sxl s VAL 57 Cb 0.00 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 1sxl s VAL 57 CO 0.00 0.00 0.24 0.00 -0.31 0.00 0.00 175.10 175.03 1sxl s ALA 58 N -3.10 1.74 -0.20 1.32 0.00 -0.72 -0.28 121.76 120.52 1sxl s ALA 58 Ca 0.18 -1.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.13 1sxl s ALA 58 Cb 0.02 1.44 0.10 0.00 0.00 0.00 0.00 23.12 24.68 1sxl s ALA 58 CO 0.11 -0.64 0.25 -0.06 0.00 0.00 0.00 175.76 175.43 1sxl s PHE 59 N -3.60 -0.39 0.10 0.00 0.08 -0.60 -2.40 117.98 111.16 1sxl s PHE 59 Ca 0.40 0.42 -0.06 0.00 0.12 0.00 0.00 56.93 57.81 1sxl s PHE 59 Cb 0.03 -0.25 -0.05 0.00 -0.57 0.00 0.00 43.02 42.18 1sxl s PHE 59 CO 0.24 -0.59 0.35 0.08 -0.10 0.00 0.00 175.22 175.20 1sxl s VAL 60 N 2.38 5.19 -0.65 -0.44 1.01 -1.08 -2.39 120.40 124.41 1sxl s VAL 60 Ca 0.07 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.21 1sxl s VAL 60 Cb -0.15 -3.62 0.29 0.00 0.00 0.00 0.00 36.38 32.90 1sxl s VAL 60 CO -0.12 0.15 0.92 0.54 0.00 0.00 0.00 175.10 176.58 1sxl n ARG 61 N 0.43 3.07 -2.49 2.72 1.74 -1.26 -2.62 116.66 118.25 1sxl n ARG 61 Ca -0.05 -4.76 -0.39 0.00 -0.77 0.00 0.00 57.85 51.88 1sxl n ARG 61 Cb 0.52 -2.27 -0.03 0.00 -1.02 0.00 0.00 32.46 29.65 1sxl n ARG 61 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1sxl s TYR 62 N -3.01 2.39 0.00 -1.55 6.14 -1.26 -0.56 117.35 119.50 1sxl s TYR 62 Ca 0.43 -0.53 0.00 0.00 0.64 0.00 0.00 57.07 57.62 1sxl s TYR 62 Cb 0.20 -4.60 0.00 0.00 0.42 0.00 0.00 41.96 37.98 1sxl s TYR 62 CO -0.07 -1.95 0.26 0.27 0.64 0.00 0.00 175.55 174.71 1sxl n ASN 63 N 9.61 0.00 -0.87 4.32 0.23 -1.26 -3.82 115.26 123.47 1sxl n ASN 63 Ca 0.29 0.26 -0.09 0.00 -0.53 0.00 0.00 54.58 54.52 1sxl n ASN 63 Cb 0.50 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.20 1sxl n ASN 63 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1sxl n LYS 64 N -0.42 0.00 -0.05 -3.83 0.00 -1.26 0.13 118.16 112.73 1sxl n LYS 64 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.19 1sxl n LYS 64 Cb 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 35.03 34.72 1sxl n LYS 64 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.40 177.47 1sxl h ARG 65 N 0.12 -0.02 -0.53 1.64 -0.00 -1.87 -0.07 114.38 113.65 1sxl h ARG 65 Ca -0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 59.80 1sxl h ARG 65 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.25 1sxl h ARG 65 CO 0.10 0.74 -0.12 1.49 -0.00 0.00 0.00 179.97 182.18 1sxl h GLU 66 N -0.93 1.00 0.00 0.08 4.81 -1.97 -2.14 114.58 115.44 1sxl h GLU 66 Ca -0.00 -0.37 -0.09 0.00 -0.13 0.00 0.00 59.36 58.77 1sxl h GLU 66 Cb 0.77 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1sxl h GLU 66 CO 0.00 1.05 -0.42 0.93 -0.73 0.00 0.00 179.01 179.84 1sxl h GLU 67 N 0.88 0.00 -0.79 1.92 5.08 -1.92 -1.76 114.58 117.99 1sxl h GLU 67 Ca 0.14 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1sxl h GLU 67 Cb 0.68 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1sxl h GLU 67 CO 0.05 0.42 0.31 0.00 -1.00 0.00 0.00 179.01 178.80 1sxl h ALA 68 N 1.58 1.06 0.00 3.43 0.00 -0.38 0.24 119.26 125.18 1sxl h ALA 68 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1sxl h ALA 68 Cb 0.79 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1sxl h ALA 68 CO 0.06 0.66 -0.07 0.37 0.00 0.00 0.00 179.25 180.27 1sxl h GLN 69 N 1.15 0.00 0.16 0.00 4.15 -0.77 -2.29 115.11 117.50 1sxl h GLN 69 Ca 0.26 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 1sxl h GLN 69 Cb 0.22 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 1sxl h GLN 69 CO -0.02 0.07 -0.10 1.49 -1.93 0.00 0.00 178.83 178.34 1sxl h GLU 70 N 0.00 -0.23 0.00 1.69 4.22 0.12 -1.18 114.58 119.20 1sxl h GLU 70 Ca -0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1sxl h GLU 70 Cb 0.15 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1sxl h GLU 70 CO 0.01 -0.16 0.20 0.00 -2.18 0.00 0.00 179.01 176.88 1sxl h ALA 71 N -1.74 1.17 0.48 2.92 0.00 -1.30 0.27 119.26 121.07 1sxl h ALA 71 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1sxl h ALA 71 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1sxl h ALA 71 CO 0.02 -0.17 -0.23 0.82 0.00 0.00 0.00 179.25 179.69 1sxl h ILE 72 N 0.00 0.00 -0.12 0.00 1.08 -0.67 0.39 117.51 118.20 1sxl h ILE 72 Ca 0.00 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1sxl h ILE 72 Cb 0.40 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.15 1sxl h ILE 72 CO 0.00 0.00 0.00 -0.24 -0.69 0.00 0.00 178.15 177.22 1sxl n SER 73 N -4.91 1.19 0.00 1.72 2.88 -0.73 -2.47 113.62 111.30 1sxl n SER 73 Ca -0.08 -1.63 0.00 0.00 -1.33 0.00 0.00 58.87 55.83 1sxl n SER 73 Cb 0.26 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 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 0.01 1.03 0.00 -1.46 0.00 0.90 -4.81 120.51 116.18 1sxl n ALA 74 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1sxl n ALA 74 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1sxl n ALA 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1sxl n LEU 75 N -0.05 0.00 -0.46 0.00 7.94 0.13 -4.70 117.00 119.86 1sxl n LEU 75 Ca 0.00 0.00 0.41 0.00 -1.11 0.00 0.00 56.01 55.31 1sxl n LEU 75 Cb 0.13 0.00 0.67 0.00 0.53 0.00 0.00 43.42 44.74 1sxl n LEU 75 CO 0.00 0.00 1.38 -1.13 -1.11 0.00 0.00 177.39 176.53 1sxl h ASN 76 N 0.00 0.00 -2.65 1.96 -0.73 -1.08 -1.29 115.58 111.79 1sxl h ASN 76 Ca 0.00 0.00 -0.61 0.00 1.87 0.00 0.00 56.30 57.56 1sxl h ASN 76 Cb 0.22 0.00 -0.41 0.00 0.27 0.00 0.00 38.32 38.40 1sxl h ASN 76 CO 0.00 0.00 -0.65 0.59 -0.37 0.00 0.00 177.43 177.00 1sxl n ASN 77 N -3.67 2.81 -2.12 1.15 3.02 -1.26 -3.14 115.26 112.05 1sxl n ASN 77 Ca 0.34 -3.19 -0.16 0.00 -0.03 0.00 0.00 54.58 51.53 1sxl n ASN 77 Cb 1.73 -0.70 -0.10 0.00 -0.61 0.00 0.00 39.78 40.10 1sxl n ASN 77 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1sxl n VAL 78 N 1.62 3.00 -3.96 2.41 3.14 -0.49 -4.84 118.33 119.21 1sxl n VAL 78 Ca 0.24 -1.94 0.00 0.00 -2.96 0.00 0.00 64.34 59.69 1sxl n VAL 78 Cb 0.39 -1.76 0.00 0.00 -1.06 0.00 0.00 33.84 31.41 1sxl n VAL 78 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1sxl n ILE 79 N 1.68 0.00 -1.72 1.55 -5.35 -1.26 -4.88 119.36 109.37 1sxl n ILE 79 Ca 0.40 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.59 1sxl n ILE 79 Cb 0.73 0.00 0.05 0.00 -1.74 0.00 0.00 39.64 38.67 1sxl n ILE 79 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1sxl n PRO 80 N 0.00 3.20 -0.23 6.28 -0.04 -1.26 -5.06 135.00 137.89 1sxl n PRO 80 Ca 0.00 -3.78 0.03 0.00 -0.04 0.00 0.00 63.50 59.71 1sxl n PRO 80 Cb 0.00 -2.28 -0.01 0.00 -0.04 0.00 0.00 33.50 31.16 1sxl n PRO 80 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1sxl n GLU 81 N -0.80 -0.52 0.00 0.54 4.07 -1.26 -4.86 120.64 117.80 1sxl n GLU 81 Ca 0.52 0.43 0.00 0.00 -0.06 0.00 0.00 57.16 58.05 1sxl n GLU 81 Cb 0.82 -0.61 0.00 0.00 -0.06 0.00 0.00 31.44 31.59 1sxl n GLU 81 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1sxl n GLY 82 N -2.39 2.02 0.00 8.31 0.00 -1.26 -4.68 105.19 107.18 1sxl n GLY 82 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.79 2.85 -0.02 0.00 -1.26 -4.98 105.19 101.00 1sxl n GLY 83 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.31 1sxl n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sxl n SER 84 N 0.00 -5.58 -2.36 1.61 7.64 -1.26 -4.22 113.62 109.45 1sxl n SER 84 Ca 0.00 0.01 -0.01 0.00 1.01 0.00 0.00 58.87 59.89 1sxl n SER 84 Cb 0.00 -3.13 -0.01 0.00 -1.01 0.00 0.00 64.21 60.07 1sxl n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sxl n GLN 85 N 0.36 -3.52 -4.31 1.43 6.02 -1.26 -4.35 117.38 111.74 1sxl n GLN 85 Ca -0.01 2.59 -0.24 0.00 -0.01 0.00 0.00 57.00 59.33 1sxl n GLN 85 Cb 0.44 -3.43 -0.08 0.00 1.02 0.00 0.00 30.24 28.18 1sxl n GLN 85 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1sxl s PRO 86 N -0.41 2.11 -0.40 -1.09 0.04 -0.93 -4.00 135.00 130.32 1sxl s PRO 86 Ca -0.05 -1.73 -0.28 0.00 0.04 0.00 0.00 61.00 58.98 1sxl s PRO 86 Cb 0.00 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 1sxl s PRO 86 CO 0.12 0.13 1.59 -0.48 0.04 0.00 0.00 177.00 178.41 1sxl s LEU 87 N -3.73 3.52 -0.27 -3.56 0.05 -1.22 -4.38 118.68 109.08 1sxl s LEU 87 Ca 0.35 0.94 -0.29 0.00 0.05 0.00 0.00 54.13 55.18 1sxl s LEU 87 Cb -0.00 -3.43 0.00 0.00 -2.05 0.00 0.00 46.19 40.71 1sxl s LEU 87 CO 0.20 -1.62 1.25 -0.55 -0.55 0.00 0.00 176.35 175.07 1sxl s SER 88 N 5.09 6.79 0.91 1.48 0.15 -0.68 -3.59 113.70 123.85 1sxl s SER 88 Ca 0.68 1.29 -0.14 0.00 0.70 0.00 0.00 55.95 58.48 1sxl s SER 88 Cb -0.17 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.76 1sxl s SER 88 CO 0.32 -0.97 1.24 -0.69 1.20 0.00 0.00 173.24 174.34 1sxl s VAL 89 N 4.03 1.98 0.00 4.45 1.01 -1.26 -2.57 120.40 128.04 1sxl s VAL 89 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1sxl s VAL 89 Cb -0.17 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1sxl s VAL 89 CO 0.19 0.00 0.00 -2.11 0.00 0.00 0.00 175.10 173.18 1sxl n ARG 90 N -3.65 0.00 -1.53 2.72 1.85 -1.10 -4.88 116.66 110.07 1sxl n ARG 90 Ca 0.12 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.67 1sxl n ARG 90 Cb 0.60 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.91 1sxl n ARG 90 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1sxl n LEU 91 N 0.00 1.07 -4.49 2.89 4.77 -1.26 -2.29 117.00 117.69 1sxl n LEU 91 Ca 0.00 -0.56 -0.33 0.00 -0.03 0.00 0.00 56.01 55.10 1sxl n LEU 91 Cb 0.00 -1.26 0.13 0.00 -2.33 0.00 0.00 43.42 39.96 1sxl n LEU 91 CO 0.00 -1.57 0.14 0.00 -1.33 0.00 0.00 177.39 174.64 1sxl n ALA 92 N 13.51 -2.03 -2.69 -1.18 0.00 -1.26 -2.38 120.51 124.47 1sxl n ALA 92 Ca 0.52 -0.58 -0.09 0.00 0.00 0.00 0.00 53.44 53.28 1sxl n ALA 92 Cb 0.32 -1.92 0.03 0.00 0.00 0.00 0.00 19.45 17.88 1sxl n ALA 92 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1sxl n GLU 93 N -2.40 1.13 0.02 0.00 0.28 -1.26 -3.29 120.64 115.13 1sxl n GLU 93 Ca 0.08 -3.21 0.00 0.00 -0.16 0.00 0.00 57.16 53.87 1sxl n GLU 93 Cb 0.53 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 32.17 1sxl n GLU 93 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1sxl n GLU 94 N -0.05 0.00 -3.89 3.44 4.07 -1.26 -4.93 120.64 118.02 1sxl n GLU 94 Ca 0.10 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.91 1sxl n GLU 94 Cb 0.81 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 32.07 1sxl n GLU 94 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 1sxl n HIS 95 N -2.60 3.32 0.00 4.31 1.44 -1.26 -5.07 115.22 115.36 1sxl n HIS 95 Ca 0.00 -4.31 0.00 0.00 -2.01 0.00 0.00 57.72 51.40 1sxl n HIS 95 Cb 0.00 -0.65 0.00 0.00 0.12 0.00 0.00 29.99 29.46 1sxl n HIS 95 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1sxl n GLY 96 N 1.95 0.66 0.83 -1.39 0.00 -1.26 -5.08 105.19 100.90 1sxl n GLY 96 Ca 0.20 -1.48 0.10 0.00 0.00 0.00 0.00 46.02 44.84 1sxl n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49