#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 3.60 0.31 6.12 0.15 -1.26 -5.11 113.70 117.51 1sxl s SER 2 Ca 0.00 -0.42 -0.09 0.00 0.70 0.00 0.00 55.95 56.13 1sxl s SER 2 Cb 0.00 -1.47 0.01 0.00 -1.71 0.00 0.00 66.02 62.85 1sxl s SER 2 CO 0.00 0.17 0.53 -0.72 1.20 0.00 0.00 173.24 174.42 1sxl s TYR 3 N 0.28 0.58 0.14 3.44 1.13 -1.26 -5.16 117.35 116.50 1sxl s TYR 3 Ca -0.13 -0.95 0.00 0.00 -1.41 0.00 0.00 57.07 54.59 1sxl s TYR 3 Cb -0.16 0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 40.85 1sxl s TYR 3 CO 0.07 -1.14 0.31 0.00 -2.51 0.00 0.00 175.55 172.27 1sxl s ALA 4 N -3.38 3.92 -0.04 9.51 0.00 -1.26 -5.00 121.76 125.51 1sxl s ALA 4 Ca 0.24 -0.87 0.13 0.00 0.00 0.00 0.00 51.96 51.46 1sxl s ALA 4 Cb -0.01 -1.90 -0.16 0.00 0.00 0.00 0.00 23.12 21.05 1sxl s ALA 4 CO 0.14 0.60 0.98 -0.09 0.00 0.00 0.00 175.76 177.39 1sxl h ARG 5 N 2.42 0.00 -6.36 0.00 2.43 -2.01 -3.46 114.38 107.39 1sxl h ARG 5 Ca -0.47 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.23 1sxl h ARG 5 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1sxl h ARG 5 CO 0.71 0.57 -0.26 -1.25 -1.51 0.00 0.00 179.97 178.23 1sxl s PRO 6 N -2.76 2.58 0.00 0.20 0.04 -1.26 -5.10 135.00 128.69 1sxl s PRO 6 Ca -0.01 -1.48 0.00 0.00 0.04 0.00 0.00 61.00 59.54 1sxl s PRO 6 Cb 0.09 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1sxl s PRO 6 CO 0.81 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.86 1sxl n GLY 7 N -1.83 1.63 0.00 0.56 0.00 -1.26 -5.04 105.19 99.24 1sxl n GLY 7 Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.50 3.64 -0.02 0.00 -1.26 -4.25 105.19 102.80 1sxl n GLY 8 Ca 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.10 1sxl n GLY 8 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sxl s GLU 9 N -1.96 0.49 0.44 1.61 0.41 -1.26 -4.26 118.70 114.17 1sxl s GLU 9 Ca 0.00 0.62 0.00 0.00 -0.41 0.00 0.00 54.97 55.18 1sxl s GLU 9 Cb 0.00 0.22 0.00 0.00 -1.78 0.00 0.00 34.13 32.57 1sxl s GLU 9 CO 0.00 -0.06 0.00 -1.13 -0.49 0.00 0.00 175.26 173.58 1sxl n SER 10 N 2.45 -1.90 -4.58 -0.19 3.41 -1.26 -3.30 113.62 108.25 1sxl n SER 10 Ca -0.13 0.12 -0.38 0.00 -0.26 0.00 0.00 58.87 58.22 1sxl n SER 10 Cb 0.56 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 1sxl n SER 10 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1sxl s ILE 11 N -0.36 3.90 0.00 -1.33 -1.09 -1.26 -3.32 121.20 117.73 1sxl s ILE 11 Ca 0.00 -1.37 0.00 0.00 -2.23 0.00 0.00 60.65 57.05 1sxl s ILE 11 Cb 0.00 -4.93 0.00 0.00 -1.58 0.00 0.00 42.46 35.95 1sxl s ILE 11 CO 0.00 -1.68 0.00 0.29 -1.23 0.00 0.00 174.94 172.32 1sxl n LYS 12 N 8.48 0.00 -3.30 2.79 4.76 -1.21 -4.81 118.16 124.87 1sxl n LYS 12 Ca 0.45 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.68 1sxl n LYS 12 Cb 0.47 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.58 1sxl n LYS 12 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1sxl s ASP 13 N -1.91 1.13 -0.25 4.39 -1.08 -1.26 -3.66 116.67 114.04 1sxl s ASP 13 Ca 0.00 -2.29 0.09 0.00 -0.52 0.00 0.00 52.55 49.83 1sxl s ASP 13 Cb 0.00 0.23 0.30 0.00 -1.46 0.00 0.00 42.92 41.99 1sxl s ASP 13 CO 0.00 -0.20 1.34 1.07 0.52 0.00 0.00 175.17 177.90 1sxl n THR 14 N 3.46 0.00 -1.06 1.71 5.66 -1.26 -4.17 114.28 118.62 1sxl n THR 14 Ca 0.20 -0.73 -0.12 0.00 -3.05 0.00 0.00 64.05 60.35 1sxl n THR 14 Cb 0.47 0.85 0.09 0.00 -1.55 0.00 0.00 70.33 70.19 1sxl n THR 14 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1sxl n ASN 15 N -1.13 -0.68 -4.44 1.09 6.94 -1.25 -3.04 115.26 112.74 1sxl n ASN 15 Ca -0.18 -0.99 -0.35 0.00 -0.02 0.00 0.00 54.58 53.04 1sxl n ASN 15 Cb 0.81 -0.41 -0.13 0.00 -2.36 0.00 0.00 39.78 37.69 1sxl n ASN 15 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1sxl s LEU 16 N 0.00 3.27 -0.79 -4.53 2.96 -0.76 -4.68 118.68 114.15 1sxl s LEU 16 Ca 0.30 -0.21 -0.20 0.00 -0.22 0.00 0.00 54.13 53.80 1sxl s LEU 16 Cb -0.02 -1.84 0.11 0.00 0.50 0.00 0.00 46.19 44.95 1sxl s LEU 16 CO 0.22 0.04 0.99 -0.47 -1.32 0.00 0.00 176.35 175.80 1sxl s TYR 17 N 1.15 3.00 -0.11 5.38 5.04 -1.08 -1.88 117.35 128.84 1sxl s TYR 17 Ca 0.03 -1.10 -0.18 0.00 -2.44 0.00 0.00 57.07 53.38 1sxl s TYR 17 Cb -0.14 -4.21 -0.04 0.00 0.35 0.00 0.00 41.96 37.91 1sxl s TYR 17 CO 0.02 -1.48 0.48 0.14 -1.34 0.00 0.00 175.55 173.37 1sxl s VAL 18 N 2.95 5.18 0.26 3.14 -7.23 -0.96 -3.30 120.40 120.44 1sxl s VAL 18 Ca 0.25 0.96 0.02 0.00 -1.81 0.00 0.00 61.98 61.40 1sxl s VAL 18 Cb -0.12 -3.82 -0.01 0.00 0.56 0.00 0.00 36.38 33.00 1sxl s VAL 18 CO -0.01 0.34 0.06 0.35 -0.31 0.00 0.00 175.10 175.52 1sxl n THR 19 N 3.60 0.00 -3.24 5.32 -2.24 -1.00 -1.28 114.28 115.44 1sxl n THR 19 Ca -0.07 -1.42 -0.06 0.00 -2.27 0.00 0.00 64.05 60.23 1sxl n THR 19 Cb 0.52 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 1sxl n THR 19 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1sxl n ASN 20 N -1.55 -7.06 0.00 3.42 4.05 -1.26 -1.40 115.26 111.46 1sxl n ASN 20 Ca -0.07 -0.29 0.00 0.00 0.45 0.00 0.00 54.58 54.67 1sxl n ASN 20 Cb 0.37 -4.40 0.00 0.00 1.23 0.00 0.00 39.78 36.99 1sxl n ASN 20 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1sxl n LEU 21 N -1.97 0.00 0.00 1.20 -0.00 -1.26 -4.30 117.00 110.68 1sxl n LEU 21 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 1sxl n LEU 21 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1sxl n LEU 21 CO 0.56 0.00 0.00 -0.81 -0.00 0.00 0.00 177.39 177.14 1sxl n PRO 22 N -0.06 1.55 -0.90 1.47 -0.04 -1.26 -4.45 135.00 131.31 1sxl n PRO 22 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1sxl n PRO 22 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 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 -0.48 1.74 0.06 0.54 1.74 -1.26 -4.26 116.66 114.74 1sxl n ARG 23 Ca 0.00 -1.35 -0.06 0.00 -0.77 0.00 0.00 57.85 55.67 1sxl n ARG 23 Cb 0.00 -1.58 -0.11 0.00 -1.02 0.00 0.00 32.46 29.75 1sxl n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sxl h THR 24 N 1.16 1.58 -2.03 0.55 1.03 -2.01 -3.45 112.91 109.73 1sxl h THR 24 Ca 0.25 -3.25 -0.52 0.00 -0.01 0.00 0.00 66.41 62.87 1sxl h THR 24 Cb 0.93 2.78 -0.06 0.00 -1.07 0.00 0.00 68.15 70.73 1sxl h THR 24 CO 0.61 0.90 -0.53 0.27 -0.01 0.00 0.00 175.52 176.77 1sxl s ILE 25 N -2.73 3.73 -0.14 0.00 -4.36 -1.26 -5.11 121.20 111.32 1sxl s ILE 25 Ca 0.01 -1.54 -0.08 0.00 -0.26 0.00 0.00 60.65 58.78 1sxl s ILE 25 Cb 0.10 -3.16 -0.04 0.00 1.25 0.00 0.00 42.46 40.60 1sxl s ILE 25 CO 0.81 -0.27 0.13 0.42 0.24 0.00 0.00 174.94 176.27 1sxl s THR 26 N -2.27 5.40 0.11 8.37 -4.23 -1.26 -4.99 115.64 116.76 1sxl s THR 26 Ca 0.36 0.18 -0.19 0.00 -1.18 0.00 0.00 61.69 60.85 1sxl s THR 26 Cb -0.06 -3.39 -0.07 0.00 1.34 0.00 0.00 72.50 70.32 1sxl s THR 26 CO 0.24 0.56 1.69 -2.24 -0.54 0.00 0.00 174.62 174.34 1sxl h ASP 27 N 5.55 0.28 0.00 3.99 2.03 -1.96 -0.16 116.42 126.15 1sxl h ASP 27 Ca -0.50 -0.10 0.00 0.00 -0.73 0.00 0.00 57.03 55.70 1sxl h ASP 27 Cb 1.20 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 1sxl h ASP 27 CO 0.64 0.30 0.28 -0.78 -1.03 0.00 0.00 179.24 178.65 1sxl h ASP 28 N 0.24 0.00 0.05 4.15 3.58 -1.94 -1.50 116.42 120.99 1sxl h ASP 28 Ca 0.08 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 1sxl h ASP 28 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1sxl h ASP 28 CO -0.01 0.00 -0.02 1.56 -2.88 0.00 0.00 179.24 177.89 1sxl h GLN 29 N 0.00 -0.06 -1.32 0.28 4.20 -1.43 -3.19 115.11 113.60 1sxl h GLN 29 Ca 0.00 0.00 0.39 0.00 0.06 0.00 0.00 58.65 59.11 1sxl h GLN 29 Cb 0.55 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.25 1sxl h GLN 29 CO 0.00 0.55 0.89 -0.07 -0.67 0.00 0.00 178.83 179.52 1sxl h LEU 30 N -0.92 0.21 0.04 1.46 4.07 -1.05 0.59 115.31 119.71 1sxl h LEU 30 Ca -0.01 0.08 0.01 0.00 0.08 0.00 0.00 57.88 58.04 1sxl h LEU 30 Cb 0.64 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.40 1sxl h LEU 30 CO 0.01 -0.06 -0.34 -0.78 -1.08 0.00 0.00 178.44 176.20 1sxl h ASP 31 N 0.13 -1.03 0.31 -0.43 1.82 -1.52 0.48 116.42 116.18 1sxl h ASP 31 Ca 0.73 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 57.48 1sxl h ASP 31 Cb 2.42 0.39 0.00 0.00 0.68 0.00 0.00 39.33 42.81 1sxl h ASP 31 CO -0.25 -0.34 0.00 0.41 -1.61 0.00 0.00 179.24 177.45 1sxl n THR 32 N -4.36 0.95 0.17 2.25 -1.04 0.08 0.01 114.28 112.34 1sxl n THR 32 Ca -0.05 0.52 0.06 0.00 -2.04 0.00 0.00 64.05 62.54 1sxl n THR 32 Cb 0.26 -1.49 0.09 0.00 -1.82 0.00 0.00 70.33 67.37 1sxl n THR 32 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1sxl h ILE 33 N 0.00 0.55 -0.11 12.58 6.09 0.11 -3.38 117.51 133.35 1sxl h ILE 33 Ca 0.00 -1.75 -0.18 0.00 -1.37 0.00 0.00 64.86 61.56 1sxl h ILE 33 Cb 0.16 2.25 -0.27 0.00 0.47 0.00 0.00 36.82 39.43 1sxl h ILE 33 CO 0.00 0.31 -0.67 2.22 -3.07 0.00 0.00 178.15 176.94 1sxl n PHE 34 N -3.19 -0.24 -1.75 2.19 -1.74 0.25 -4.97 117.46 108.02 1sxl n PHE 34 Ca 0.03 -1.26 -0.36 0.00 -0.56 0.00 0.00 57.45 55.29 1sxl n PHE 34 Cb 0.65 0.45 -0.03 0.00 1.52 0.00 0.00 39.48 42.08 1sxl n PHE 34 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1sxl n GLY 35 N -0.47 4.80 0.00 4.97 0.00 0.10 -4.07 105.19 110.52 1sxl n GLY 35 Ca -0.08 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 1.86 2.47 -2.21 1.61 4.76 -1.26 -4.82 118.16 120.56 1sxl n LYS 36 Ca 0.61 -0.02 -0.29 0.00 -2.87 0.00 0.00 58.31 55.74 1sxl n LYS 36 Cb 0.34 -0.26 0.02 0.00 -1.84 0.00 0.00 35.03 33.29 1sxl n LYS 36 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1sxl n TYR 37 N -0.36 3.19 0.00 2.13 4.01 -1.26 -5.04 117.16 119.84 1sxl n TYR 37 Ca 0.00 -2.79 0.00 0.00 -0.16 0.00 0.00 57.90 54.95 1sxl n TYR 37 Cb 0.02 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.63 1sxl n TYR 37 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sxl n GLY 38 N -0.57 2.32 3.42 2.72 0.00 -1.26 -4.85 105.19 106.98 1sxl n GLY 38 Ca 0.44 -2.13 -0.44 0.00 0.00 0.00 0.00 46.02 43.89 1sxl n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sxl s SER 39 N 0.00 6.47 0.15 1.61 0.01 -1.26 -4.88 113.70 115.80 1sxl s SER 39 Ca 0.00 -1.80 -0.11 0.00 1.31 0.00 0.00 55.95 55.34 1sxl s SER 39 Cb 0.00 -2.36 -0.08 0.00 0.21 0.00 0.00 66.02 63.79 1sxl s SER 39 CO 0.00 -1.09 0.13 -0.38 0.41 0.00 0.00 173.24 172.32 1sxl n ILE 40 N 5.41 0.60 -2.13 1.44 2.08 -1.26 -4.85 119.36 120.65 1sxl n ILE 40 Ca 0.11 -0.23 -0.36 0.00 0.56 0.00 0.00 62.75 62.82 1sxl n ILE 40 Cb 0.47 0.00 0.03 0.00 -0.75 0.00 0.00 39.64 39.39 1sxl n ILE 40 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1sxl n VAL 41 N -0.26 3.43 -1.06 1.39 0.24 -0.85 -4.96 118.33 116.27 1sxl n VAL 41 Ca 0.07 -4.60 0.00 0.00 -2.04 0.00 0.00 64.34 57.77 1sxl n VAL 41 Cb 0.15 -1.27 0.00 0.00 -1.47 0.00 0.00 33.84 31.25 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 -0.49 0.00 -2.70 7.34 -0.06 -1.26 -4.55 117.38 115.66 1sxl n GLN 42 Ca 0.49 0.35 -0.43 0.00 -2.00 0.00 0.00 57.00 55.42 1sxl n GLN 42 Cb 0.35 -0.71 -0.03 0.00 -4.06 0.00 0.00 30.24 25.79 1sxl n GLN 42 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1sxl s LYS 43 N -0.39 4.10 0.17 3.69 1.02 -1.26 -4.03 119.74 123.03 1sxl s LYS 43 Ca 0.00 1.05 0.10 0.00 0.02 0.00 0.00 55.97 57.14 1sxl s LYS 43 Cb 0.00 -3.71 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 1sxl s LYS 43 CO 0.00 -0.79 -0.22 1.21 -0.92 0.00 0.00 175.35 174.63 1sxl s ASN 44 N 1.54 3.10 0.15 2.83 3.84 -0.53 -4.78 114.94 121.09 1sxl s ASN 44 Ca 0.42 -0.83 0.05 0.00 0.21 0.00 0.00 52.86 52.72 1sxl s ASN 44 Cb -0.13 -0.21 -0.04 0.00 -0.55 0.00 0.00 41.25 40.32 1sxl s ASN 44 CO 0.12 0.08 -0.11 0.27 -2.79 0.00 0.00 177.10 174.67 1sxl s ILE 45 N -1.65 1.28 -0.25 -5.21 -4.36 -1.26 -0.43 121.20 109.32 1sxl s ILE 45 Ca 0.17 -2.03 -0.15 0.00 -0.26 0.00 0.00 60.65 58.39 1sxl s ILE 45 Cb -0.08 -1.82 0.07 0.00 1.25 0.00 0.00 42.46 41.89 1sxl s ILE 45 CO 0.08 -0.67 0.61 -1.48 0.24 0.00 0.00 174.94 173.72 1sxl s LEU 46 N -3.07 -0.67 -0.07 0.37 2.34 -0.94 -4.92 118.68 111.73 1sxl s LEU 46 Ca 0.16 1.33 0.20 0.00 0.06 0.00 0.00 54.13 55.88 1sxl s LEU 46 Cb 0.01 2.09 -0.29 0.00 -0.56 0.00 0.00 46.19 47.44 1sxl s LEU 46 CO 0.02 -0.23 0.39 -1.14 -1.06 0.00 0.00 176.35 174.34 1sxl n ARG 47 N 4.16 0.67 -3.93 1.48 0.00 -1.26 -1.98 116.66 115.80 1sxl n ARG 47 Ca -0.20 -0.10 -0.09 0.00 -0.00 0.00 0.00 57.85 57.45 1sxl n ARG 47 Cb 0.58 -1.55 -0.05 0.00 0.00 0.00 0.00 32.46 31.44 1sxl n ARG 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1sxl s ASP 48 N -4.93 -0.14 -0.03 6.15 2.15 -1.26 -3.55 116.67 115.06 1sxl s ASP 48 Ca -0.08 -0.79 0.01 0.00 0.43 0.00 0.00 52.55 52.12 1sxl s ASP 48 Cb 0.11 0.59 0.04 0.00 -0.30 0.00 0.00 42.92 43.36 1sxl s ASP 48 CO 0.87 -1.13 0.45 2.29 -0.17 0.00 0.00 175.17 177.48 1sxl n LYS 49 N -0.37 0.13 0.00 4.34 2.85 -1.26 -5.05 118.16 118.80 1sxl n LYS 49 Ca -0.04 -0.25 0.00 0.00 -1.05 0.00 0.00 58.31 56.97 1sxl n LYS 49 Cb 0.62 0.33 0.00 0.00 -0.65 0.00 0.00 35.03 35.33 1sxl n LYS 49 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1sxl n LEU 50 N -0.15 0.00 0.12 -5.58 7.94 -1.26 -5.07 117.00 113.00 1sxl n LEU 50 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1sxl n LEU 50 Cb 0.45 0.37 0.00 0.00 0.53 0.00 0.00 43.42 44.77 1sxl n LEU 50 CO -0.03 -0.37 0.00 0.41 -1.11 0.00 0.00 177.39 176.29 1sxl n THR 51 N -2.10 0.29 0.00 1.96 -1.04 -1.26 -5.10 114.28 107.03 1sxl n THR 51 Ca 0.00 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1sxl n THR 51 Cb 0.00 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 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 1.97 -1.39 3.84 3.41 0.00 -1.26 -5.14 105.19 106.63 1sxl n GLY 52 Ca 0.00 0.84 -0.28 0.00 0.00 0.00 0.00 46.02 46.59 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 2.24 -0.28 1.61 0.52 -1.26 -5.03 118.95 116.75 1sxl s ARG 53 Ca 0.00 -2.08 0.11 0.00 -0.52 0.00 0.00 55.73 53.24 1sxl s ARG 53 Cb 0.00 -1.94 0.59 0.00 0.52 0.00 0.00 34.95 34.12 1sxl s ARG 53 CO 0.00 -0.47 1.58 -0.35 0.02 0.00 0.00 175.30 176.09 1sxl n PRO 54 N -1.55 2.72 0.10 3.54 -0.04 -1.26 -4.64 135.00 133.87 1sxl n PRO 54 Ca -0.06 -3.04 -0.12 0.00 -0.04 0.00 0.00 63.50 60.24 1sxl n PRO 54 Cb 0.65 -1.96 -0.08 0.00 -0.04 0.00 0.00 33.50 32.07 1sxl n PRO 54 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1sxl h ARG 55 N 1.70 -0.30 -5.44 0.54 2.43 -1.96 -3.49 114.38 107.86 1sxl h ARG 55 Ca 0.20 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1sxl h ARG 55 Cb 1.88 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 31.45 1sxl h ARG 55 CO 0.49 0.08 -1.06 0.41 -1.51 0.00 0.00 179.97 178.38 1sxl n GLY 56 N 0.22 -3.34 3.26 2.80 0.00 -1.23 -4.58 105.19 102.30 1sxl n GLY 56 Ca -0.08 0.71 -0.19 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.08 1.42 0.51 1.61 -7.23 -0.84 -4.02 120.40 110.77 1sxl s VAL 57 Ca -0.08 -1.73 0.04 0.00 -1.81 0.00 0.00 61.98 58.40 1sxl s VAL 57 Cb 0.01 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.38 1sxl s VAL 57 CO 0.56 -0.38 0.23 0.00 -0.31 0.00 0.00 175.10 175.20 1sxl s ALA 58 N -2.06 4.16 -0.23 1.32 0.00 -0.40 -2.20 121.76 122.34 1sxl s ALA 58 Ca 0.10 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 1sxl s ALA 58 Cb -0.05 -0.42 0.08 0.00 0.00 0.00 0.00 23.12 22.72 1sxl s ALA 58 CO 0.04 -0.25 0.10 -0.06 0.00 0.00 0.00 175.76 175.58 1sxl s PHE 59 N -2.77 0.45 0.58 0.00 0.40 0.42 -2.28 117.98 114.80 1sxl s PHE 59 Ca 0.27 -0.71 -0.13 0.00 -0.60 0.00 0.00 56.93 55.75 1sxl s PHE 59 Cb 0.00 -0.89 -0.05 0.00 0.51 0.00 0.00 43.02 42.59 1sxl s PHE 59 CO 0.16 -0.68 1.02 0.08 0.70 0.00 0.00 175.22 176.50 1sxl s VAL 60 N 2.05 4.52 -0.44 -0.44 1.01 -0.79 -1.45 120.40 124.86 1sxl s VAL 60 Ca 0.05 0.99 -0.12 0.00 0.00 0.00 0.00 61.98 62.90 1sxl s VAL 60 Cb -0.16 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 32.56 1sxl s VAL 60 CO -0.21 -0.90 0.32 0.00 0.00 0.00 0.00 175.10 174.30 1sxl s ARG 61 N -4.67 2.76 -0.50 2.72 1.70 -1.26 -1.83 118.95 117.88 1sxl s ARG 61 Ca 0.57 -1.43 0.06 0.00 -0.47 0.00 0.00 55.73 54.47 1sxl s ARG 61 Cb -0.11 -3.94 0.19 0.00 -0.57 0.00 0.00 34.95 30.52 1sxl s ARG 61 CO 0.44 -1.00 0.75 -0.47 -1.08 0.00 0.00 175.30 173.94 1sxl s TYR 62 N 1.51 -1.55 0.00 5.89 5.04 -1.26 -2.01 117.35 124.98 1sxl s TYR 62 Ca 0.03 -0.48 0.00 0.00 -2.44 0.00 0.00 57.07 54.18 1sxl s TYR 62 Cb -0.24 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.38 1sxl s TYR 62 CO 0.04 -1.21 0.00 0.27 -1.34 0.00 0.00 175.55 173.31 1sxl n ASN 63 N 3.03 0.00 -1.51 4.32 6.94 -1.17 -3.32 115.26 123.55 1sxl n ASN 63 Ca 0.17 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.73 1sxl n ASN 63 Cb 0.57 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 1sxl n ASN 63 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1sxl n LYS 64 N 0.00 -0.10 -0.13 -3.83 4.76 -1.21 -1.69 118.16 115.96 1sxl n LYS 64 Ca 0.00 0.29 0.11 0.00 -2.87 0.00 0.00 58.31 55.83 1sxl n LYS 64 Cb 0.00 -0.37 0.20 0.00 -1.84 0.00 0.00 35.03 33.02 1sxl n LYS 64 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1sxl n ARG 65 N 0.79 -0.03 0.21 1.97 3.00 -1.26 0.28 116.66 121.63 1sxl n ARG 65 Ca -0.00 0.56 -0.13 0.00 -0.01 0.00 0.00 57.85 58.27 1sxl n ARG 65 Cb 0.19 -0.97 -0.07 0.00 0.00 0.00 0.00 32.46 31.60 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 -0.54 -0.69 5.56 4.39 -1.94 -2.44 114.58 118.93 1sxl h GLU 66 Ca 0.31 0.04 0.14 0.00 0.34 0.00 0.00 59.36 60.19 1sxl h GLU 66 Cb 0.77 0.12 -0.13 0.00 -0.10 0.00 0.00 28.75 29.42 1sxl h GLU 66 CO -0.32 -0.23 -0.10 1.49 -1.16 0.00 0.00 179.01 178.69 1sxl h GLU 67 N -0.91 0.04 -0.65 2.33 4.81 0.39 0.52 114.58 121.11 1sxl h GLU 67 Ca -0.06 -0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.28 1sxl h GLU 67 Cb 0.56 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.85 1sxl h GLU 67 CO 0.09 0.03 0.23 0.00 -0.73 0.00 0.00 179.01 178.63 1sxl h ALA 68 N 1.67 0.84 -0.88 2.92 0.00 -0.30 0.32 119.26 123.83 1sxl h ALA 68 Ca 0.35 0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.56 1sxl h ALA 68 Cb 0.56 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.31 1sxl h ALA 68 CO -0.66 -0.21 0.39 0.37 0.00 0.00 0.00 179.25 179.13 1sxl h GLN 69 N 0.40 0.41 0.12 0.00 5.75 0.52 -0.96 115.11 121.35 1sxl h GLN 69 Ca 0.34 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.81 1sxl h GLN 69 Cb 0.45 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1sxl h GLN 69 CO -0.35 0.27 -0.06 0.93 -2.65 0.00 0.00 178.83 176.98 1sxl h GLU 70 N 0.43 -0.16 -0.01 1.69 3.07 0.23 -2.18 114.58 117.65 1sxl h GLU 70 Ca 0.54 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 1sxl h GLU 70 Cb 0.98 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1sxl h GLU 70 CO -0.50 -0.10 0.71 0.00 -1.40 0.00 0.00 179.01 177.71 1sxl h ALA 71 N -1.92 1.71 0.16 3.43 0.00 -0.94 0.24 119.26 121.94 1sxl h ALA 71 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1sxl h ALA 71 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sxl h ALA 71 CO 0.03 -0.71 -0.08 0.82 0.00 0.00 0.00 179.25 179.31 1sxl h ILE 72 N 0.00 0.00 0.00 0.00 1.08 -0.54 0.20 117.51 118.25 1sxl h ILE 72 Ca 0.00 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1sxl h ILE 72 Cb 1.42 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 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 -3.16 0.04 0.04 1.72 2.88 -0.33 -2.21 113.62 112.60 1sxl n SER 73 Ca -0.03 -1.85 0.00 0.00 -1.33 0.00 0.00 58.87 55.66 1sxl n SER 73 Cb 0.08 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 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 -0.47 3.00 0.08 -1.46 0.00 0.70 -4.80 120.51 117.56 1sxl n ALA 74 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1sxl n ALA 74 Cb 0.01 0.32 -0.05 0.00 0.00 0.00 0.00 19.45 19.73 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 0.29 -9.42 0.00 3.38 -0.74 -3.45 115.31 105.37 1sxl h LEU 75 Ca 0.00 -0.26 -0.63 0.00 0.09 0.00 0.00 57.88 57.09 1sxl h LEU 75 Cb 0.31 -0.09 0.07 0.00 0.09 0.00 0.00 40.66 41.04 1sxl h LEU 75 CO 0.00 1.11 0.47 -0.46 0.09 0.00 0.00 178.44 179.64 1sxl n ASN 76 N -3.60 2.03 -2.46 -0.43 2.04 -0.94 -2.18 115.26 109.72 1sxl n ASN 76 Ca -0.05 1.13 -0.09 0.00 -0.44 0.00 0.00 54.58 55.14 1sxl n ASN 76 Cb 0.87 -1.30 0.05 0.00 -2.53 0.00 0.00 39.78 36.87 1sxl n ASN 76 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1sxl n ASN 77 N 2.31 -3.53 -1.97 0.53 5.15 -1.26 -4.88 115.26 111.61 1sxl n ASN 77 Ca 0.15 -0.38 -0.15 0.00 -0.60 0.00 0.00 54.58 53.60 1sxl n ASN 77 Cb 0.26 -3.18 -0.03 0.00 -0.53 0.00 0.00 39.78 36.30 1sxl n ASN 77 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1sxl n VAL 78 N -2.62 2.78 -4.44 3.44 3.14 -0.93 -4.84 118.33 114.87 1sxl n VAL 78 Ca -0.09 -1.69 -0.23 0.00 -2.96 0.00 0.00 64.34 59.36 1sxl n VAL 78 Cb 0.58 -1.56 -0.09 0.00 -1.06 0.00 0.00 33.84 31.71 1sxl n VAL 78 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 1sxl s ILE 79 N -1.16 0.54 -0.29 1.55 -4.36 -1.26 -5.00 121.20 111.22 1sxl s ILE 79 Ca 0.38 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.74 1sxl s ILE 79 Cb 0.24 -2.45 0.08 0.00 1.25 0.00 0.00 42.46 41.57 1sxl s ILE 79 CO -0.05 0.00 2.48 -0.81 0.24 0.00 0.00 174.94 176.79 1sxl n PRO 80 N -0.77 1.94 -4.38 0.37 -0.04 -1.26 -4.77 135.00 126.08 1sxl n PRO 80 Ca -0.03 -1.57 -0.35 0.00 -0.04 0.00 0.00 63.50 61.50 1sxl n PRO 80 Cb 0.65 -1.77 -0.08 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.93 -1.13 -3.30 0.54 0.28 -1.26 -4.86 120.64 111.84 1sxl n GLU 81 Ca 0.35 0.14 -0.25 0.00 -0.16 0.00 0.00 57.16 57.24 1sxl n GLU 81 Cb 0.61 -4.15 -0.08 0.00 1.43 0.00 0.00 31.44 29.24 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 -1.91 2.10 0.00 -1.84 0.00 -1.26 -4.84 105.19 97.44 1sxl n GLY 82 Ca -0.14 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 2.49 3.44 2.65 -0.02 0.00 -1.26 -4.92 105.19 107.58 1sxl n GLY 83 Ca 0.27 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.28 -2.55 1.61 7.64 -1.26 -4.96 113.62 110.83 1sxl n SER 84 Ca 0.00 -0.36 -0.19 0.00 1.01 0.00 0.00 58.87 59.32 1sxl n SER 84 Cb 0.00 -3.37 0.01 0.00 -1.01 0.00 0.00 64.21 59.85 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 -3.12 2.50 -0.10 1.43 1.13 -1.26 -5.07 117.38 112.88 1sxl n GLN 85 Ca -0.10 -3.99 0.00 0.00 -1.94 0.00 0.00 57.00 50.97 1sxl n GLN 85 Cb 0.57 -1.84 0.00 0.00 0.11 0.00 0.00 30.24 29.08 1sxl n GLN 85 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1sxl n PRO 86 N -0.32 1.51 -2.97 -1.09 -0.04 -1.26 -4.77 135.00 126.06 1sxl n PRO 86 Ca 0.27 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.32 1sxl n PRO 86 Cb 0.73 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.14 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 4.20 -0.82 1.53 1.02 -1.26 -4.46 118.68 118.88 1sxl s LEU 87 Ca 0.00 1.10 -0.26 0.00 0.02 0.00 0.00 54.13 54.99 1sxl s LEU 87 Cb 0.00 -3.12 0.03 0.00 0.02 0.00 0.00 46.19 43.12 1sxl s LEU 87 CO 0.00 -0.31 1.38 -0.44 0.02 0.00 0.00 176.35 177.00 1sxl s SER 88 N 1.09 6.20 0.35 2.29 0.01 -0.49 -4.08 113.70 119.07 1sxl s SER 88 Ca 0.36 -0.73 -0.26 0.00 1.31 0.00 0.00 55.95 56.63 1sxl s SER 88 Cb -0.17 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.41 1sxl s SER 88 CO 0.13 -1.79 1.05 0.54 0.41 0.00 0.00 173.24 173.58 1sxl s VAL 89 N 5.77 3.72 0.00 3.43 0.11 -1.26 -2.37 120.40 129.79 1sxl s VAL 89 Ca 0.41 1.46 0.00 0.00 -2.93 0.00 0.00 61.98 60.91 1sxl s VAL 89 Cb -0.06 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 30.97 1sxl s VAL 89 CO 0.07 0.15 0.00 -1.14 -3.33 0.00 0.00 175.10 170.85 1sxl n ARG 90 N 0.43 0.00 -3.77 1.54 0.63 -1.21 -4.94 116.66 109.34 1sxl n ARG 90 Ca 0.03 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.83 1sxl n ARG 90 Cb 0.48 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.31 1sxl n ARG 90 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1sxl s LEU 91 N 0.00 0.96 0.00 6.15 2.96 -1.26 -2.64 118.68 124.85 1sxl s LEU 91 Ca 0.00 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1sxl s LEU 91 Cb 0.00 1.22 -0.00 0.00 0.50 0.00 0.00 46.19 47.91 1sxl s LEU 91 CO 0.00 -0.51 0.01 0.00 -1.32 0.00 0.00 176.35 174.53 1sxl n ALA 92 N 1.00 0.06 -2.68 5.97 0.00 -1.26 -4.65 120.51 118.95 1sxl n ALA 92 Ca -0.20 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 1sxl n ALA 92 Cb 0.57 0.15 0.04 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.12 0.55 -1.12 0.00 1.02 -1.26 -4.99 120.64 114.72 1sxl n GLU 93 Ca -0.01 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 55.91 1sxl n GLU 93 Cb 0.07 -0.20 -0.00 0.00 -0.02 0.00 0.00 31.44 31.29 1sxl n GLU 93 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1sxl n GLU 94 N -1.67 -2.93 -0.33 3.49 4.71 -1.26 -4.94 120.64 117.71 1sxl n GLU 94 Ca 0.07 2.28 -0.07 0.00 -0.01 0.00 0.00 57.16 59.43 1sxl n GLU 94 Cb 0.25 -2.85 0.05 0.00 -1.01 0.00 0.00 31.44 27.88 1sxl n GLU 94 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 1sxl n HIS 95 N -2.30 -3.58 0.10 -0.32 1.44 -1.26 -5.01 115.22 104.29 1sxl n HIS 95 Ca -0.00 -0.24 0.00 0.00 -2.01 0.00 0.00 57.72 55.47 1sxl n HIS 95 Cb 0.35 -0.25 0.00 0.00 0.12 0.00 0.00 29.99 30.21 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 1.88 -0.21 0.00 -1.39 0.00 -1.24 -5.05 105.19 99.18 1sxl n GLY 96 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1sxl n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49