#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 2.91 -2.87 7.83 3.41 -1.26 -5.03 113.62 118.61 1sxl n SER 2 Ca 0.00 -2.74 -0.12 0.00 -0.26 0.00 0.00 58.87 55.74 1sxl n SER 2 Cb 0.00 -0.37 0.10 0.00 -0.26 0.00 0.00 64.21 63.67 1sxl n SER 2 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1sxl n TYR 3 N -0.70 -3.67 -4.13 7.33 4.01 -1.26 -5.09 117.16 113.66 1sxl n TYR 3 Ca 0.15 -0.45 -0.12 0.00 -0.16 0.00 0.00 57.90 57.32 1sxl n TYR 3 Cb 0.64 -0.45 -0.11 0.00 -0.31 0.00 0.00 39.34 39.11 1sxl n TYR 3 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sxl s ALA 4 N -3.47 0.83 -0.40 -0.72 0.00 -1.26 -4.96 121.76 111.79 1sxl s ALA 4 Ca 0.31 -1.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 1sxl s ALA 4 Cb -0.02 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1sxl s ALA 4 CO 0.22 -0.13 0.52 0.54 0.00 0.00 0.00 175.76 176.91 1sxl n ARG 5 N 0.60 -2.36 -0.33 0.00 1.74 -1.26 -5.00 116.66 110.06 1sxl n ARG 5 Ca -0.17 2.10 -0.08 0.00 -0.77 0.00 0.00 57.85 58.93 1sxl n ARG 5 Cb 0.58 -5.45 0.07 0.00 -1.02 0.00 0.00 32.46 26.64 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 -0.23 -1.33 -3.79 5.56 -0.04 -1.26 -5.09 135.00 128.83 1sxl n PRO 6 Ca 0.10 -0.49 -0.07 0.00 -0.04 0.00 0.00 63.50 63.00 1sxl n PRO 6 Cb 0.40 -0.43 -0.02 0.00 -0.04 0.00 0.00 33.50 33.41 1sxl n PRO 6 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1sxl s GLY 7 N -3.19 -0.18 0.00 0.55 0.00 -1.26 -4.91 107.32 98.33 1sxl s GLY 7 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1sxl s GLY 7 CO 0.15 -0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.81 1sxl n GLY 8 N -0.45 2.04 2.43 0.20 0.00 -1.26 -4.85 105.19 103.31 1sxl n GLY 8 Ca -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 1sxl n GLY 8 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1sxl n GLU 9 N 0.00 0.85 -4.70 1.61 2.13 -1.26 -4.71 120.64 114.55 1sxl n GLU 9 Ca 0.00 -1.02 -0.30 0.00 0.66 0.00 0.00 57.16 56.50 1sxl n GLU 9 Cb 0.00 0.16 -0.13 0.00 0.27 0.00 0.00 31.44 31.74 1sxl n GLU 9 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1sxl s SER 10 N -0.76 3.57 -0.87 4.31 0.01 -1.26 -4.38 113.70 114.32 1sxl s SER 10 Ca 0.09 -0.51 -0.11 0.00 1.31 0.00 0.00 55.95 56.74 1sxl s SER 10 Cb 0.28 -0.48 0.11 0.00 0.21 0.00 0.00 66.02 66.14 1sxl s SER 10 CO -0.07 0.25 0.28 0.00 0.41 0.00 0.00 173.24 174.10 1sxl n ILE 11 N 1.54 0.00 -3.63 1.44 3.06 -1.26 -1.57 119.36 118.94 1sxl n ILE 11 Ca -0.16 0.00 -0.03 0.00 -2.50 0.00 0.00 62.75 60.05 1sxl n ILE 11 Cb 0.52 -0.23 0.00 0.00 0.54 0.00 0.00 39.64 40.47 1sxl n ILE 11 CO 0.00 0.00 0.00 2.29 -2.50 0.00 0.00 176.55 176.34 1sxl n LYS 12 N -2.43 -1.00 0.00 9.51 0.00 -1.26 -4.58 118.16 118.40 1sxl n LYS 12 Ca 0.06 -0.43 0.00 0.00 -0.00 0.00 0.00 58.31 57.93 1sxl n LYS 12 Cb 0.29 0.59 0.00 0.00 -0.00 0.00 0.00 35.03 35.92 1sxl n LYS 12 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1sxl n ASP 13 N 0.63 0.00 -3.15 -5.58 8.00 -0.61 -4.97 116.55 110.88 1sxl n ASP 13 Ca -0.01 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.53 1sxl n ASP 13 Cb 0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.14 1sxl n ASP 13 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1sxl s THR 14 N 0.00 -0.84 0.94 -3.53 -1.32 -0.88 -4.62 115.64 105.39 1sxl s THR 14 Ca 0.00 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.32 1sxl s THR 14 Cb 0.00 -0.92 0.22 0.00 -1.51 0.00 0.00 72.50 70.29 1sxl s THR 14 CO 0.00 0.00 1.17 0.59 -2.21 0.00 0.00 174.62 174.17 1sxl n ASN 15 N 5.40 -0.35 -3.69 8.08 3.02 -1.24 -2.32 115.26 124.15 1sxl n ASN 15 Ca 0.02 -1.37 -0.26 0.00 -0.03 0.00 0.00 54.58 52.94 1sxl n ASN 15 Cb 0.53 -0.93 -0.17 0.00 -0.61 0.00 0.00 39.78 38.61 1sxl n ASN 15 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1sxl s LEU 16 N 0.00 0.72 -0.57 3.41 2.96 -0.38 -4.62 118.68 120.19 1sxl s LEU 16 Ca 0.68 -0.57 -0.19 0.00 -0.22 0.00 0.00 54.13 53.83 1sxl s LEU 16 Cb -0.03 -0.41 0.09 0.00 0.50 0.00 0.00 46.19 46.34 1sxl s LEU 16 CO 0.49 -0.30 0.71 -0.47 -1.32 0.00 0.00 176.35 175.45 1sxl s TYR 17 N 2.00 2.98 -0.35 5.38 5.04 -0.96 0.03 117.35 131.46 1sxl s TYR 17 Ca 0.01 -0.80 -0.13 0.00 -2.44 0.00 0.00 57.07 53.72 1sxl s TYR 17 Cb -0.16 -3.91 -0.01 0.00 0.35 0.00 0.00 41.96 38.24 1sxl s TYR 17 CO -0.08 -1.25 0.24 0.14 -1.34 0.00 0.00 175.55 173.26 1sxl s VAL 18 N 2.81 5.15 0.68 3.14 -7.23 -0.55 -2.73 120.40 121.68 1sxl s VAL 18 Ca 0.14 -0.38 -0.09 0.00 -1.81 0.00 0.00 61.98 59.84 1sxl s VAL 18 Cb -0.22 -3.71 0.03 0.00 0.56 0.00 0.00 36.38 33.04 1sxl s VAL 18 CO 0.08 -0.08 1.03 -0.89 -0.31 0.00 0.00 175.10 174.93 1sxl s THR 19 N 1.69 3.10 0.00 5.32 2.01 -1.01 -0.91 115.64 125.84 1sxl s THR 19 Ca 0.05 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.16 1sxl s THR 19 Cb -0.18 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.02 1sxl s THR 19 CO 0.10 -0.36 0.00 -3.20 -0.69 0.00 0.00 174.62 170.46 1sxl n ASN 20 N -2.89 0.00 -2.77 3.53 4.05 -0.36 -2.57 115.26 114.25 1sxl n ASN 20 Ca 0.06 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 55.07 1sxl n ASN 20 Cb 0.58 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.57 1sxl n ASN 20 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1sxl n LEU 21 N 0.00 -5.11 -4.76 1.20 -0.00 -1.26 -3.14 117.00 103.93 1sxl n LEU 21 Ca 0.00 1.66 -0.40 0.00 -0.00 0.00 0.00 56.01 57.27 1sxl n LEU 21 Cb 0.00 -2.38 -0.05 0.00 -0.00 0.00 0.00 43.42 40.99 1sxl n LEU 21 CO 0.00 -3.29 0.73 -2.16 -0.00 0.00 0.00 177.39 172.68 1sxl s PRO 22 N -0.32 4.68 -0.31 1.96 0.04 -1.26 -4.53 135.00 135.26 1sxl s PRO 22 Ca -0.13 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.56 1sxl s PRO 22 Cb 0.01 -3.16 0.16 0.00 0.04 0.00 0.00 34.50 31.55 1sxl s PRO 22 CO 0.34 0.29 2.19 0.54 0.04 0.00 0.00 177.00 180.40 1sxl n ARG 23 N 1.17 1.86 0.00 4.56 3.00 -1.26 -4.09 116.66 121.90 1sxl n ARG 23 Ca -0.01 -1.57 0.11 0.00 -0.01 0.00 0.00 57.85 56.37 1sxl n ARG 23 Cb 0.46 -1.67 0.03 0.00 0.00 0.00 0.00 32.46 31.28 1sxl n ARG 23 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1sxl n THR 24 N 0.57 0.00 -4.22 0.55 -2.24 -1.26 -4.98 114.28 102.70 1sxl n THR 24 Ca 0.32 -0.35 -0.18 0.00 -2.27 0.00 0.00 64.05 61.57 1sxl n THR 24 Cb 0.58 1.33 -0.07 0.00 -2.10 0.00 0.00 70.33 70.07 1sxl n THR 24 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1sxl s ILE 25 N -2.26 0.00 0.18 2.28 -4.36 -1.26 -5.17 121.20 110.62 1sxl s ILE 25 Ca 0.21 -1.86 0.06 0.00 -0.26 0.00 0.00 60.65 58.80 1sxl s ILE 25 Cb 0.18 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.29 1sxl s ILE 25 CO 0.47 0.00 0.12 0.42 0.24 0.00 0.00 174.94 176.19 1sxl s THR 26 N -3.24 4.34 0.18 8.37 -4.23 -1.26 -5.01 115.64 114.79 1sxl s THR 26 Ca 0.37 -1.21 -0.12 0.00 -1.18 0.00 0.00 61.69 59.56 1sxl s THR 26 Cb 0.01 -3.24 0.10 0.00 1.34 0.00 0.00 72.50 70.71 1sxl s THR 26 CO 0.26 -0.16 1.78 -2.24 -0.54 0.00 0.00 174.62 173.72 1sxl h ASP 27 N 2.28 0.81 -0.44 3.99 3.04 -1.99 -0.48 116.42 123.64 1sxl h ASP 27 Ca -0.48 -0.12 0.13 0.00 -3.24 0.00 0.00 57.03 53.33 1sxl h ASP 27 Cb 1.21 -0.21 -0.02 0.00 -1.04 0.00 0.00 39.33 39.27 1sxl h ASP 27 CO 0.62 0.70 0.40 0.44 -2.04 0.00 0.00 179.24 179.36 1sxl h ASP 28 N 0.86 0.00 0.68 4.15 5.19 -1.95 0.22 116.42 125.58 1sxl h ASP 28 Ca 0.22 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.36 1sxl h ASP 28 Cb 0.09 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1sxl h ASP 28 CO -0.03 0.00 -1.27 1.56 -3.12 0.00 0.00 179.24 176.38 1sxl h GLN 29 N 0.00 0.18 -0.85 3.56 4.20 -1.50 -3.26 115.11 117.45 1sxl h GLN 29 Ca 0.21 -0.31 0.20 0.00 0.06 0.00 0.00 58.65 58.81 1sxl h GLN 29 Cb 1.01 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.86 1sxl h GLN 29 CO -0.00 1.10 0.57 -0.07 -0.67 0.00 0.00 178.83 179.76 1sxl h LEU 30 N 0.05 0.30 -0.40 1.46 4.07 -0.00 0.18 115.31 120.97 1sxl h LEU 30 Ca -0.13 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1sxl h LEU 30 Cb 1.93 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 43.62 1sxl h LEU 30 CO 0.17 0.13 0.26 -2.24 -1.08 0.00 0.00 178.44 175.68 1sxl h ASP 31 N 0.30 0.46 -0.64 -0.43 3.04 -1.58 -1.76 116.42 115.81 1sxl h ASP 31 Ca 0.43 -0.02 -0.01 0.00 -3.24 0.00 0.00 57.03 54.19 1sxl h ASP 31 Cb 1.20 -0.12 -0.03 0.00 -1.04 0.00 0.00 39.33 39.34 1sxl h ASP 31 CO -0.12 0.34 0.38 0.74 -2.04 0.00 0.00 179.24 178.53 1sxl h THR 32 N 0.54 1.19 -0.75 1.15 2.02 -0.84 -0.06 112.91 116.17 1sxl h THR 32 Ca 0.15 -0.44 0.21 0.00 0.77 0.00 0.00 66.41 67.09 1sxl h THR 32 Cb -0.05 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.65 1sxl h THR 32 CO -0.03 0.20 0.53 0.40 0.37 0.00 0.00 175.52 176.99 1sxl h ILE 33 N 0.87 0.65 0.00 3.11 1.08 -0.49 -3.14 117.51 119.58 1sxl h ILE 33 Ca 0.23 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.68 1sxl h ILE 33 Cb -0.00 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1sxl h ILE 33 CO -0.04 0.01 0.00 0.49 -0.69 0.00 0.00 178.15 177.92 1sxl n PHE 34 N -4.34 0.00 0.00 1.37 3.72 -0.09 -4.91 117.46 113.20 1sxl n PHE 34 Ca 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1sxl n PHE 34 Cb 0.78 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 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 2.25 1.07 0.00 1.37 0.00 -0.84 -4.94 105.19 104.10 1sxl n GLY 35 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.00 0.00 1.61 4.76 -1.26 -4.93 118.16 118.34 1sxl n LYS 36 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1sxl n LYS 36 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 0.00 0.00 -3.74 2.13 4.01 -1.26 -4.99 117.16 113.30 1sxl n TYR 37 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1sxl n TYR 37 Cb 0.00 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 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 1.82 3.93 3.35 2.72 0.00 -1.26 -5.00 105.19 110.75 1sxl n GLY 38 Ca 0.00 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 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 -1.31 4.47 -4.31 1.61 3.41 -1.26 -4.95 113.62 111.27 1sxl n SER 39 Ca 0.00 -2.88 -0.42 0.00 -0.26 0.00 0.00 58.87 55.31 1sxl n SER 39 Cb 0.00 -1.71 -0.00 0.00 -0.26 0.00 0.00 64.21 62.24 1sxl n SER 39 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1sxl n ILE 40 N 6.16 0.78 -2.90 -1.33 5.41 -1.26 -4.72 119.36 121.50 1sxl n ILE 40 Ca 0.49 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 63.41 1sxl n ILE 40 Cb 0.44 -0.04 -0.02 0.00 -0.71 0.00 0.00 39.64 39.31 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 -0.97 4.27 -2.22 1.39 0.24 -1.26 -4.89 118.33 114.89 1sxl n VAL 41 Ca 0.12 -5.72 -0.00 0.00 -2.04 0.00 0.00 64.34 56.69 1sxl n VAL 41 Cb 0.39 -1.60 -0.00 0.00 -1.47 0.00 0.00 33.84 31.16 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 0.09 -4.57 -1.60 7.34 7.27 -1.26 -4.65 117.38 120.01 1sxl n GLN 42 Ca 0.36 3.38 -0.30 0.00 0.07 0.00 0.00 57.00 60.51 1sxl n GLN 42 Cb 0.34 -4.29 0.07 0.00 2.41 0.00 0.00 30.24 28.78 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 -0.78 2.43 -0.25 3.69 1.02 -1.26 -3.95 119.74 120.64 1sxl s LYS 43 Ca -0.02 0.72 -0.02 0.00 0.02 0.00 0.00 55.97 56.66 1sxl s LYS 43 Cb 0.00 -1.95 0.13 0.00 -0.52 0.00 0.00 37.83 35.49 1sxl s LYS 43 CO 0.07 -1.39 0.33 -0.80 -0.92 0.00 0.00 175.35 172.63 1sxl s ASN 44 N -3.92 0.80 0.13 2.83 0.01 -0.86 -4.87 114.94 109.06 1sxl s ASN 44 Ca 0.60 -0.18 -0.20 0.00 -0.71 0.00 0.00 52.86 52.37 1sxl s ASN 44 Cb -0.14 0.84 -0.07 0.00 0.41 0.00 0.00 41.25 42.28 1sxl s ASN 44 CO 0.54 -0.33 0.64 -0.51 -1.51 0.00 0.00 177.10 175.93 1sxl s ILE 45 N 2.46 4.63 -0.26 0.60 2.07 -1.26 -1.73 121.20 127.72 1sxl s ILE 45 Ca 0.10 1.31 0.03 0.00 -1.41 0.00 0.00 60.65 60.69 1sxl s ILE 45 Cb -0.15 -3.94 0.06 0.00 0.13 0.00 0.00 42.46 38.56 1sxl s ILE 45 CO -0.21 0.47 -0.11 -0.76 -1.91 0.00 0.00 174.94 172.41 1sxl s LEU 46 N -1.33 3.39 0.00 8.50 1.02 -0.32 -4.89 118.68 125.05 1sxl s LEU 46 Ca 0.34 -1.37 0.02 0.00 0.02 0.00 0.00 54.13 53.14 1sxl s LEU 46 Cb -0.20 -1.54 0.03 0.00 0.02 0.00 0.00 46.19 44.50 1sxl s LEU 46 CO 0.21 -0.18 0.78 -2.11 0.02 0.00 0.00 176.35 175.07 1sxl n ARG 47 N 4.44 0.00 -1.38 1.70 1.85 -1.26 -2.51 116.66 119.50 1sxl n ARG 47 Ca -0.14 -0.61 0.17 0.00 -1.00 0.00 0.00 57.85 56.26 1sxl n ARG 47 Cb 0.42 0.16 -0.08 0.00 -1.05 0.00 0.00 32.46 31.91 1sxl n ARG 47 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1sxl n ASP 48 N 0.03 -7.57 0.00 2.89 2.03 -1.26 -4.86 116.55 107.82 1sxl n ASP 48 Ca -0.11 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.37 1sxl n ASP 48 Cb 0.64 -4.60 0.00 0.00 -0.72 0.00 0.00 41.12 36.44 1sxl n ASP 48 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1sxl n LYS 49 N -4.19 0.00 -2.26 -0.67 4.01 -1.26 -4.92 118.16 108.87 1sxl n LYS 49 Ca -0.06 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.48 1sxl n LYS 49 Cb 0.65 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 35.18 1sxl n LYS 49 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1sxl n LEU 50 N -0.24 4.77 -0.01 -0.35 7.99 -1.26 -4.66 117.00 123.24 1sxl n LEU 50 Ca 0.00 -4.96 0.05 0.00 -0.01 0.00 0.00 56.01 51.08 1sxl n LEU 50 Cb 0.00 -0.39 -0.09 0.00 -0.11 0.00 0.00 43.42 42.84 1sxl n LEU 50 CO 0.00 2.16 -0.66 0.41 -1.51 0.00 0.00 177.39 177.80 1sxl n THR 51 N -0.59 0.08 -1.99 -5.08 -1.04 -1.26 -5.03 114.28 99.36 1sxl n THR 51 Ca 0.41 -0.28 -0.02 0.00 -2.04 0.00 0.00 64.05 62.12 1sxl n THR 51 Cb 0.81 0.14 0.01 0.00 -1.82 0.00 0.00 70.33 69.48 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 1.92 0.46 3.76 3.41 0.00 -1.26 -5.07 105.19 108.41 1sxl n GLY 52 Ca -0.04 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.71 2.22 -0.33 1.61 0.52 -1.26 -5.11 118.95 112.89 1sxl s ARG 53 Ca 0.03 -1.95 -0.06 0.00 -0.52 0.00 0.00 55.73 53.24 1sxl s ARG 53 Cb -0.00 -1.93 0.04 0.00 0.52 0.00 0.00 34.95 33.58 1sxl s ARG 53 CO 0.11 -0.23 0.09 -1.25 0.02 0.00 0.00 175.30 174.05 1sxl s PRO 54 N -3.95 2.58 0.00 3.54 0.04 -1.26 -4.93 135.00 131.01 1sxl s PRO 54 Ca 0.35 -1.21 0.00 0.00 0.04 0.00 0.00 61.00 60.18 1sxl s PRO 54 Cb 0.03 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1sxl s PRO 54 CO 0.20 -0.67 0.00 0.54 0.04 0.00 0.00 177.00 177.11 1sxl n ARG 55 N 4.78 0.00 -2.78 4.56 1.74 -1.26 -5.05 116.66 118.65 1sxl n ARG 55 Ca -0.12 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.87 1sxl n ARG 55 Cb 0.44 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.92 1sxl n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sxl n GLY 56 N 3.30 0.17 3.23 -0.13 0.00 -1.24 -4.92 105.19 105.60 1sxl n GLY 56 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1sxl n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxl s VAL 57 N -3.15 0.13 0.20 1.61 0.11 -1.04 -1.23 120.40 117.03 1sxl s VAL 57 Ca 0.11 -1.04 -0.08 0.00 -2.93 0.00 0.00 61.98 58.04 1sxl s VAL 57 Cb -0.05 -1.29 0.03 0.00 -1.53 0.00 0.00 36.38 33.54 1sxl s VAL 57 CO 0.32 -0.58 0.41 0.00 -3.33 0.00 0.00 175.10 171.93 1sxl n ALA 58 N -0.08 -0.93 -3.25 1.54 0.00 -0.09 -1.17 120.51 116.53 1sxl n ALA 58 Ca -0.15 -0.65 -0.04 0.00 0.00 0.00 0.00 53.44 52.60 1sxl n ALA 58 Cb 0.63 0.52 -0.04 0.00 0.00 0.00 0.00 19.45 20.55 1sxl n ALA 58 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1sxl s PHE 59 N -5.44 -1.26 0.58 0.00 -0.12 -0.70 -1.47 117.98 109.56 1sxl s PHE 59 Ca 0.08 0.90 -0.13 0.00 -0.05 0.00 0.00 56.93 57.73 1sxl s PHE 59 Cb -0.03 0.14 -0.05 0.00 -0.63 0.00 0.00 43.02 42.45 1sxl s PHE 59 CO 0.06 -0.92 1.02 0.54 -0.05 0.00 0.00 175.22 175.87 1sxl s VAL 60 N 2.67 4.55 0.21 -2.49 0.11 0.10 -2.03 120.40 123.52 1sxl s VAL 60 Ca 0.13 0.99 -0.23 0.00 -2.93 0.00 0.00 61.98 59.94 1sxl s VAL 60 Cb -0.13 -3.75 -0.08 0.00 -1.53 0.00 0.00 36.38 30.88 1sxl s VAL 60 CO -0.24 -0.92 0.78 0.00 -3.33 0.00 0.00 175.10 171.39 1sxl s ARG 61 N -4.69 4.45 0.19 1.54 1.70 -1.25 -1.25 118.95 119.64 1sxl s ARG 61 Ca 0.57 1.07 -0.23 0.00 -0.47 0.00 0.00 55.73 56.68 1sxl s ARG 61 Cb -0.11 -3.05 0.05 0.00 -0.57 0.00 0.00 34.95 31.27 1sxl s ARG 61 CO 0.44 0.46 0.71 0.71 -1.08 0.00 0.00 175.30 176.55 1sxl s TYR 62 N -1.36 -0.34 0.00 5.89 1.51 -1.21 -4.21 117.35 117.63 1sxl s TYR 62 Ca 0.41 0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.50 1sxl s TYR 62 Cb -0.20 0.62 0.00 0.00 -0.11 0.00 0.00 41.96 42.27 1sxl s TYR 62 CO 0.24 -0.97 0.00 0.27 -1.11 0.00 0.00 175.55 173.98 1sxl n ASN 63 N -0.41 0.00 -0.50 2.29 0.23 -0.98 -3.50 115.26 112.39 1sxl n ASN 63 Ca -0.10 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.88 1sxl n ASN 63 Cb 0.62 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.31 1sxl n ASN 63 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1sxl n LYS 64 N 0.00 0.00 -0.29 -3.83 4.76 -1.26 -2.07 118.16 115.47 1sxl n LYS 64 Ca 0.00 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 1sxl n LYS 64 Cb 0.00 -0.16 0.09 0.00 -1.84 0.00 0.00 35.03 33.12 1sxl n LYS 64 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sxl h ARG 65 N 0.46 -0.01 -0.64 1.97 2.47 -1.96 1.69 114.38 118.36 1sxl h ARG 65 Ca -0.05 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.75 1sxl h ARG 65 Cb 0.15 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.41 1sxl h ARG 65 CO 0.09 -0.01 0.30 0.93 0.56 0.00 0.00 179.97 181.85 1sxl h GLU 66 N -0.01 0.52 -0.18 0.04 5.08 -1.99 -2.16 114.58 115.88 1sxl h GLU 66 Ca 0.38 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.74 1sxl h GLU 66 Cb 0.60 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 1sxl h GLU 66 CO -0.85 0.34 -0.51 0.93 -1.00 0.00 0.00 179.01 177.93 1sxl h GLU 67 N 0.54 -0.48 -1.11 2.33 5.08 0.22 0.53 114.58 121.69 1sxl h GLU 67 Ca 0.31 0.03 0.32 0.00 -1.00 0.00 0.00 59.36 59.03 1sxl h GLU 67 Cb 0.31 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 29.56 1sxl h GLU 67 CO -0.25 -0.32 0.70 0.00 -1.00 0.00 0.00 179.01 178.14 1sxl h ALA 68 N -0.33 2.31 -0.20 3.43 0.00 -0.64 1.20 119.26 125.03 1sxl h ALA 68 Ca 0.04 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1sxl h ALA 68 Cb 0.61 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1sxl h ALA 68 CO -0.44 -0.82 -0.26 0.37 0.00 0.00 0.00 179.25 178.10 1sxl h GLN 69 N 0.30 -0.28 0.03 0.00 -0.00 0.43 0.73 115.11 116.32 1sxl h GLN 69 Ca 0.68 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 59.36 1sxl h GLN 69 Cb 1.83 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 29.36 1sxl h GLN 69 CO -0.39 -0.19 -0.12 0.93 0.00 0.00 0.00 178.83 179.06 1sxl h GLU 70 N -0.30 -0.17 -1.31 1.69 4.39 0.20 0.67 114.58 119.76 1sxl h GLU 70 Ca 0.12 0.01 0.39 0.00 0.34 0.00 0.00 59.36 60.22 1sxl h GLU 70 Cb 0.48 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.10 1sxl h GLU 70 CO -0.37 -0.11 0.92 0.00 -1.16 0.00 0.00 179.01 178.29 1sxl n ALA 71 N -2.55 1.26 0.05 3.43 0.00 -0.41 0.50 120.51 122.80 1sxl n ALA 71 Ca -0.02 0.50 -0.02 0.00 0.00 0.00 0.00 53.44 53.90 1sxl n ALA 71 Cb 0.10 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.26 0.00 1.08 0.15 0.17 117.51 118.65 1sxl h ILE 72 Ca 0.66 -0.12 -0.12 0.00 -0.39 0.00 0.00 64.86 64.90 1sxl h ILE 72 Cb 2.53 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 36.21 1sxl h ILE 72 CO -0.09 0.00 0.15 -1.20 -0.69 0.00 0.00 178.15 176.32 1sxl n SER 73 N -2.71 3.04 0.05 1.72 7.64 0.11 -2.28 113.62 121.19 1sxl n SER 73 Ca -0.02 -2.42 0.00 0.00 1.01 0.00 0.00 58.87 57.44 1sxl n SER 73 Cb 0.06 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 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 0.06 2.89 0.09 -0.43 0.00 0.18 -4.84 120.51 118.46 1sxl n ALA 74 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.55 1sxl n ALA 74 Cb 0.77 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.17 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 0.00 -9.86 0.00 -0.00 -0.81 -3.45 115.31 101.19 1sxl h LEU 75 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.33 1sxl h LEU 75 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 40.66 40.77 1sxl h LEU 75 CO 0.00 0.86 0.68 -3.20 -0.00 0.00 0.00 178.44 176.78 1sxl n ASN 76 N -3.40 3.43 -3.23 -0.43 5.15 -0.64 -3.11 115.26 113.04 1sxl n ASN 76 Ca 0.00 1.22 -0.11 0.00 -0.60 0.00 0.00 54.58 55.09 1sxl n ASN 76 Cb 0.86 -1.57 0.04 0.00 -0.53 0.00 0.00 39.78 38.58 1sxl n ASN 76 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1sxl n ASN 77 N 0.62 -6.91 -3.61 1.20 4.13 -1.24 -4.80 115.26 104.65 1sxl n ASN 77 Ca 0.03 -0.53 -0.41 0.00 1.68 0.00 0.00 54.58 55.35 1sxl n ASN 77 Cb 0.38 -5.05 -0.01 0.00 -1.54 0.00 0.00 39.78 33.56 1sxl n ASN 77 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1sxl n VAL 78 N -2.81 4.41 -3.53 2.41 3.14 -1.18 -4.83 118.33 115.94 1sxl n VAL 78 Ca -0.05 -3.70 -0.12 0.00 -2.96 0.00 0.00 64.34 57.50 1sxl n VAL 78 Cb 0.58 -2.39 -0.04 0.00 -1.06 0.00 0.00 33.84 30.93 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 0.92 0.00 0.00 1.55 -5.25 -1.26 -4.98 121.20 112.18 1sxl s ILE 79 Ca 0.52 0.00 0.00 0.00 -0.99 0.00 0.00 60.65 60.18 1sxl s ILE 79 Cb 0.15 -1.00 0.00 0.00 2.95 0.00 0.00 42.46 44.56 1sxl s ILE 79 CO -0.06 0.00 0.76 -0.81 -1.79 0.00 0.00 174.94 173.04 1sxl n PRO 80 N 0.45 0.00 0.00 0.37 -0.04 -1.26 -4.93 135.00 129.59 1sxl n PRO 80 Ca -0.13 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1sxl n PRO 80 Cb 0.59 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.89 0.00 0.00 0.54 0.28 -1.26 -5.06 120.64 113.25 1sxl n GLU 81 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1sxl n GLU 81 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 -0.88 2.59 0.00 -1.84 0.00 -1.26 -5.00 105.19 98.80 1sxl n GLY 82 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 5.24 3.01 -0.02 0.00 -1.26 -4.83 105.19 107.34 1sxl n GLY 83 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.03 0.00 -1.39 1.61 2.88 -1.26 -4.81 113.62 109.62 1sxl n SER 84 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1sxl n SER 84 Cb 0.00 -0.01 -0.04 0.00 -0.75 0.00 0.00 64.21 63.41 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 -2.00 -3.49 -4.15 -1.46 1.13 -1.26 -4.21 117.38 101.94 1sxl n GLN 85 Ca 0.00 2.76 -0.24 0.00 -1.94 0.00 0.00 57.00 57.58 1sxl n GLN 85 Cb 0.00 -3.63 -0.06 0.00 0.11 0.00 0.00 30.24 26.66 1sxl n GLN 85 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1sxl s PRO 86 N -4.86 2.74 -0.12 -1.09 0.04 -1.26 -4.73 135.00 125.71 1sxl s PRO 86 Ca 0.00 -1.05 -0.29 0.00 0.04 0.00 0.00 61.00 59.69 1sxl s PRO 86 Cb 0.00 -2.50 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 1sxl s PRO 86 CO 0.00 0.43 1.07 -0.51 0.04 0.00 0.00 177.00 178.03 1sxl s LEU 87 N -3.41 4.22 -0.81 -3.56 1.02 -1.26 -4.42 118.68 110.46 1sxl s LEU 87 Ca 0.31 1.57 -0.26 0.00 0.02 0.00 0.00 54.13 55.77 1sxl s LEU 87 Cb -0.09 -3.55 0.03 0.00 0.02 0.00 0.00 46.19 42.60 1sxl s LEU 87 CO 0.23 -0.54 1.37 -0.44 0.02 0.00 0.00 176.35 176.99 1sxl s SER 88 N 1.25 6.17 0.22 2.29 0.01 -1.06 -3.60 113.70 118.97 1sxl s SER 88 Ca 0.49 -0.66 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 1sxl s SER 88 Cb -0.19 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.39 1sxl s SER 88 CO 0.16 -1.81 1.07 -0.69 0.41 0.00 0.00 173.24 172.38 1sxl s VAL 89 N 5.85 3.79 0.00 3.43 1.01 -1.26 -2.41 120.40 130.81 1sxl s VAL 89 Ca 0.41 1.66 0.00 0.00 0.00 0.00 0.00 61.98 64.05 1sxl s VAL 89 Cb -0.06 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1sxl s VAL 89 CO 0.09 0.34 0.00 -1.14 0.00 0.00 0.00 175.10 174.38 1sxl n ARG 90 N 1.87 0.00 -3.64 2.72 3.00 -1.10 -4.94 116.66 114.57 1sxl n ARG 90 Ca 0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.74 1sxl n ARG 90 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.85 1sxl n ARG 90 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1sxl s LEU 91 N 0.00 -0.73 0.00 6.15 0.20 -1.26 -2.26 118.68 120.78 1sxl s LEU 91 Ca 0.00 1.42 0.00 0.00 0.69 0.00 0.00 54.13 56.24 1sxl s LEU 91 Cb 0.00 2.33 0.00 0.00 -0.43 0.00 0.00 46.19 48.09 1sxl s LEU 91 CO 0.00 -0.24 0.00 0.00 -0.29 0.00 0.00 176.35 175.82 1sxl n ALA 92 N 3.36 0.00 -0.97 5.97 0.00 -1.26 -4.75 120.51 122.86 1sxl n ALA 92 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 1sxl n ALA 92 Cb 0.57 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.17 -1.71 -0.59 0.00 0.28 -1.26 -4.14 120.64 113.05 1sxl n GLU 93 Ca 0.00 -0.19 -0.30 0.00 -0.16 0.00 0.00 57.16 56.51 1sxl n GLU 93 Cb 0.00 -0.20 0.27 0.00 1.43 0.00 0.00 31.44 32.94 1sxl n GLU 93 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1sxl s GLU 94 N -3.27 -2.16 -0.30 3.44 4.04 -1.26 -4.46 118.70 114.74 1sxl s GLU 94 Ca 0.08 0.20 -0.23 0.00 0.04 0.00 0.00 54.97 55.06 1sxl s GLU 94 Cb -0.01 -1.46 0.18 0.00 0.02 0.00 0.00 34.13 32.86 1sxl s GLU 94 CO 0.06 -4.39 1.35 -1.58 -1.84 0.00 0.00 175.26 168.87 1sxl s HIS 95 N -2.49 -0.13 0.06 4.83 2.46 -1.26 -4.85 115.29 113.90 1sxl s HIS 95 Ca 0.69 0.30 -0.30 0.00 0.47 0.00 0.00 55.06 56.21 1sxl s HIS 95 Cb -0.14 0.40 -0.08 0.00 -0.13 0.00 0.00 32.58 32.62 1sxl s HIS 95 CO 0.59 -0.06 1.72 0.20 -2.47 0.00 0.00 174.74 174.72 1sxl s GLY 96 N 0.24 1.50 0.00 1.59 0.00 -1.26 -4.51 107.32 104.88 1sxl s GLY 96 Ca 0.04 1.22 0.22 0.00 0.00 0.00 0.00 44.72 46.20 1sxl s GLY 96 CO -0.14 3.03 1.20 0.58 0.00 0.00 0.00 173.10 177.77