#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 3.78 -1.30 7.83 2.88 -1.26 -5.06 113.62 120.49 1sxl n SER 2 Ca 0.00 -3.25 -0.01 0.00 -1.33 0.00 0.00 58.87 54.27 1sxl n SER 2 Cb 0.00 -0.42 -0.01 0.00 -0.75 0.00 0.00 64.21 63.04 1sxl n SER 2 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1sxl n TYR 3 N -0.57 -0.04 0.00 0.66 4.02 -1.26 -4.88 117.16 115.09 1sxl n TYR 3 Ca 0.31 -0.19 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 1sxl n TYR 3 Cb 0.85 0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.19 1sxl n TYR 3 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sxl n ALA 4 N -2.85 0.00 -3.38 -0.72 0.00 -1.26 -4.50 120.51 107.80 1sxl n ALA 4 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1sxl n ALA 4 Cb 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.41 1sxl n ALA 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1sxl s ARG 5 N 0.00 0.42 -0.24 0.00 3.52 -1.26 -5.02 118.95 116.37 1sxl s ARG 5 Ca 0.00 -0.31 -0.25 0.00 -0.13 0.00 0.00 55.73 55.04 1sxl s ARG 5 Cb 0.00 -0.63 -0.00 0.00 -1.56 0.00 0.00 34.95 32.76 1sxl s ARG 5 CO 0.00 -1.08 0.86 -1.25 -0.81 0.00 0.00 175.30 173.02 1sxl s PRO 6 N 2.12 4.20 0.43 5.12 0.04 -1.26 -5.04 135.00 140.61 1sxl s PRO 6 Ca 0.11 1.00 0.08 0.00 0.04 0.00 0.00 61.00 62.23 1sxl s PRO 6 Cb -0.14 -3.64 0.01 0.00 0.04 0.00 0.00 34.50 30.76 1sxl s PRO 6 CO -0.24 -0.53 0.53 0.20 0.04 0.00 0.00 177.00 177.00 1sxl s GLY 7 N 1.31 1.99 0.00 0.56 0.00 -1.26 -4.60 107.32 105.32 1sxl s GLY 7 Ca 0.36 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1sxl s GLY 7 CO 0.07 -1.56 0.00 0.61 0.00 0.00 0.00 173.10 172.22 1sxl n GLY 8 N -1.79 -0.05 3.69 0.20 0.00 -1.26 -5.06 105.19 100.92 1sxl n GLY 8 Ca 0.07 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1sxl n GLY 8 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sxl s GLU 9 N -2.00 4.29 0.00 1.61 2.12 -1.26 -4.79 118.70 118.66 1sxl s GLU 9 Ca 0.00 1.95 0.00 0.00 0.36 0.00 0.00 54.97 57.28 1sxl s GLU 9 Cb 0.00 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.83 1sxl s GLU 9 CO 0.00 -0.56 0.00 -1.13 -0.54 0.00 0.00 175.26 173.03 1sxl n SER 10 N 5.31 0.00 -4.11 -1.70 3.41 -1.26 -3.82 113.62 111.44 1sxl n SER 10 Ca 0.13 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.46 1sxl n SER 10 Cb 0.44 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 1sxl n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sxl n ILE 11 N 0.00 -2.17 -2.40 -1.33 0.00 -1.26 -1.07 119.36 111.12 1sxl n ILE 11 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 62.75 62.13 1sxl n ILE 11 Cb 0.00 -1.94 -0.02 0.00 0.00 0.00 0.00 39.64 37.68 1sxl n ILE 11 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1sxl n LYS 12 N -4.49 -1.52 0.00 9.51 4.76 -1.26 -4.24 118.16 120.92 1sxl n LYS 12 Ca -0.32 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 1sxl n LYS 12 Cb 0.69 -2.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.26 1sxl n LYS 12 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1sxl n ASP 13 N -0.95 0.00 -3.14 4.39 8.00 -0.23 -5.00 116.55 119.62 1sxl n ASP 13 Ca 0.03 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.56 1sxl n ASP 13 Cb 0.27 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1sxl n ASP 13 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1sxl s THR 14 N 0.40 -0.86 0.34 -3.53 2.01 -1.17 -4.66 115.64 108.17 1sxl s THR 14 Ca 0.00 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.07 1sxl s THR 14 Cb 0.00 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1sxl s THR 14 CO 0.00 0.00 0.39 0.54 -0.69 0.00 0.00 174.62 174.86 1sxl s ASN 15 N 2.28 5.63 -0.09 3.53 4.22 -1.19 -3.86 114.94 125.46 1sxl s ASN 15 Ca 0.15 -0.35 -0.00 0.00 -2.14 0.00 0.00 52.86 50.52 1sxl s ASN 15 Cb -0.05 -1.08 0.02 0.00 1.28 0.00 0.00 41.25 41.43 1sxl s ASN 15 CO -0.15 -0.42 -0.05 -1.48 -2.04 0.00 0.00 177.10 172.96 1sxl s LEU 16 N -4.10 1.04 -0.28 3.54 2.34 -1.08 -3.84 118.68 116.31 1sxl s LEU 16 Ca 0.44 -0.21 -0.29 0.00 0.06 0.00 0.00 54.13 54.13 1sxl s LEU 16 Cb -0.08 -0.66 0.01 0.00 -0.56 0.00 0.00 46.19 44.91 1sxl s LEU 16 CO 0.29 -0.12 1.09 -0.47 -1.06 0.00 0.00 176.35 176.08 1sxl s TYR 17 N 1.61 3.17 0.04 3.48 5.04 -0.97 -2.17 117.35 127.54 1sxl s TYR 17 Ca 0.01 1.27 -0.06 0.00 -2.44 0.00 0.00 57.07 55.85 1sxl s TYR 17 Cb -0.13 -3.54 -0.05 0.00 0.35 0.00 0.00 41.96 38.59 1sxl s TYR 17 CO -0.05 -0.77 0.28 0.14 -1.34 0.00 0.00 175.55 173.81 1sxl s VAL 18 N 3.52 5.28 0.33 3.14 -7.23 -0.70 -3.32 120.40 121.42 1sxl s VAL 18 Ca 0.46 0.10 0.06 0.00 -1.81 0.00 0.00 61.98 60.79 1sxl s VAL 18 Cb -0.14 -3.59 -0.07 0.00 0.56 0.00 0.00 36.38 33.15 1sxl s VAL 18 CO 0.12 0.28 -0.02 0.28 -0.31 0.00 0.00 175.10 175.46 1sxl s THR 19 N -1.38 1.71 -0.68 5.32 -1.32 -0.77 -1.69 115.64 116.82 1sxl s THR 19 Ca 0.31 -2.08 0.00 0.00 -1.21 0.00 0.00 61.69 58.71 1sxl s THR 19 Cb -0.13 -2.69 0.00 0.00 -1.51 0.00 0.00 72.50 68.17 1sxl s THR 19 CO 0.19 -0.14 0.00 0.59 -2.21 0.00 0.00 174.62 173.05 1sxl n ASN 20 N -0.73 -4.00 -4.49 8.08 3.02 0.31 -2.45 115.26 115.00 1sxl n ASN 20 Ca -0.04 0.16 -0.48 0.00 -0.03 0.00 0.00 54.58 54.19 1sxl n ASN 20 Cb 0.65 -2.06 -0.06 0.00 -0.61 0.00 0.00 39.78 37.70 1sxl n ASN 20 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1sxl n LEU 21 N -0.73 2.44 -4.81 3.41 -0.00 0.93 -4.65 117.00 113.58 1sxl n LEU 21 Ca -0.06 0.32 -0.35 0.00 -0.00 0.00 0.00 56.01 55.92 1sxl n LEU 21 Cb 0.25 -1.35 -0.07 0.00 -0.00 0.00 0.00 43.42 42.25 1sxl n LEU 21 CO 0.10 -0.75 0.57 -2.16 -0.00 0.00 0.00 177.39 175.15 1sxl s PRO 22 N 6.36 4.29 -0.09 1.96 0.04 -1.26 -3.88 135.00 142.43 1sxl s PRO 22 Ca 1.07 1.05 0.05 0.00 0.04 0.00 0.00 61.00 63.21 1sxl s PRO 22 Cb -0.69 -2.53 0.30 0.00 0.04 0.00 0.00 34.50 31.63 1sxl s PRO 22 CO 0.44 0.17 0.97 0.54 0.04 0.00 0.00 177.00 179.16 1sxl n ARG 23 N -0.01 2.42 0.00 4.56 3.00 -1.26 -3.75 116.66 121.63 1sxl n ARG 23 Ca 0.03 -1.16 0.13 0.00 -0.01 0.00 0.00 57.85 56.84 1sxl n ARG 23 Cb 0.52 -1.77 0.39 0.00 0.00 0.00 0.00 32.46 31.61 1sxl n ARG 23 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1sxl n THR 24 N 0.23 0.00 -3.69 0.55 5.66 -1.26 -4.92 114.28 110.86 1sxl n THR 24 Ca 0.10 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1sxl n THR 24 Cb 0.59 0.28 0.00 0.00 -1.55 0.00 0.00 70.33 69.65 1sxl n THR 24 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1sxl n ILE 25 N -0.88 0.00 -4.04 1.09 -5.35 -1.25 -5.17 119.36 103.77 1sxl n ILE 25 Ca 0.11 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.47 1sxl n ILE 25 Cb 0.34 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.12 1sxl n ILE 25 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1sxl s THR 26 N -1.30 0.41 0.09 7.28 -4.23 -1.26 -5.03 115.64 111.60 1sxl s THR 26 Ca 0.00 -1.02 -0.31 0.00 -1.18 0.00 0.00 61.69 59.18 1sxl s THR 26 Cb 0.00 -0.50 -0.15 0.00 1.34 0.00 0.00 72.50 73.19 1sxl s THR 26 CO 0.00 -0.41 1.63 0.44 -0.54 0.00 0.00 174.62 175.73 1sxl h ASP 27 N 4.55 -0.80 -0.45 3.99 5.19 -1.93 0.88 116.42 127.86 1sxl h ASP 27 Ca -0.35 0.06 0.13 0.00 -0.62 0.00 0.00 57.03 56.25 1sxl h ASP 27 Cb 1.20 0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.95 1sxl h ASP 27 CO 0.41 -0.47 0.63 -2.24 -3.12 0.00 0.00 179.24 174.45 1sxl h ASP 28 N -0.73 0.00 -0.13 6.45 3.04 -1.97 0.43 116.42 123.51 1sxl h ASP 28 Ca -0.04 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.65 1sxl h ASP 28 Cb 0.62 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.91 1sxl h ASP 28 CO 0.01 0.00 -0.30 -0.61 -2.04 0.00 0.00 179.24 176.30 1sxl h GLN 29 N 0.00 0.43 -1.14 4.15 4.15 -1.24 -2.94 115.11 118.52 1sxl h GLN 29 Ca 0.21 -0.29 0.33 0.00 0.77 0.00 0.00 58.65 59.67 1sxl h GLN 29 Cb 1.47 0.04 -0.10 0.00 0.21 0.00 0.00 27.48 29.10 1sxl h GLN 29 CO -0.00 0.90 0.75 -0.07 -1.93 0.00 0.00 178.83 178.48 1sxl h LEU 30 N 0.02 0.34 -0.51 -2.39 4.07 0.31 0.31 115.31 117.46 1sxl h LEU 30 Ca -0.00 0.09 0.10 0.00 0.08 0.00 0.00 57.88 58.15 1sxl h LEU 30 Cb 0.91 0.04 -0.10 0.00 1.08 0.00 0.00 40.66 42.59 1sxl h LEU 30 CO 0.07 -0.00 -0.16 -0.78 -1.08 0.00 0.00 178.44 176.48 1sxl h ASP 31 N 0.26 -0.58 1.47 -0.43 1.82 -1.47 0.27 116.42 117.75 1sxl h ASP 31 Ca 0.66 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 57.46 1sxl h ASP 31 Cb 1.91 0.36 0.00 0.00 0.68 0.00 0.00 39.33 42.28 1sxl h ASP 31 CO -0.30 -0.20 -0.07 0.74 -1.61 0.00 0.00 179.24 177.80 1sxl h THR 32 N -0.04 0.00 -0.11 2.25 2.02 -0.59 -1.94 112.91 114.49 1sxl h THR 32 Ca 0.24 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1sxl h THR 32 Cb 0.42 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1sxl h THR 32 CO -0.55 0.00 -0.04 -0.29 0.37 0.00 0.00 175.52 175.01 1sxl h ILE 33 N 0.00 1.31 0.08 3.11 2.10 0.89 -3.34 117.51 121.65 1sxl h ILE 33 Ca 0.00 -1.03 -0.36 0.00 1.08 0.00 0.00 64.86 64.55 1sxl h ILE 33 Cb 0.77 1.76 -0.03 0.00 -1.09 0.00 0.00 36.82 38.22 1sxl h ILE 33 CO 0.00 0.30 -2.04 2.22 -1.08 0.00 0.00 178.15 177.54 1sxl n PHE 34 N -4.72 0.91 0.00 2.19 -1.74 -0.81 -5.05 117.46 108.24 1sxl n PHE 34 Ca -0.06 0.22 0.00 0.00 -0.56 0.00 0.00 57.45 57.05 1sxl n PHE 34 Cb 0.26 -1.12 0.00 0.00 1.52 0.00 0.00 39.48 40.15 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 1.95 2.08 0.00 4.97 0.00 -0.73 -4.90 105.19 108.57 1sxl n GLY 35 Ca -0.36 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 0.00 0.00 1.61 3.00 -1.26 -4.68 118.16 116.83 1sxl n LYS 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1sxl n LYS 36 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 0.00 -1.02 5.64 0.18 -1.26 -4.94 117.16 115.75 1sxl n TYR 37 Ca 0.00 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.48 1sxl n TYR 37 Cb 0.00 0.00 0.23 0.00 -0.38 0.00 0.00 39.34 39.19 1sxl n TYR 37 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1sxl s GLY 38 N 0.00 1.56 -1.23 -7.48 0.00 -1.26 -4.82 107.32 94.09 1sxl s GLY 38 Ca 0.00 -0.82 -0.19 0.00 0.00 0.00 0.00 44.72 43.70 1sxl s GLY 38 CO 0.00 0.02 1.72 -0.45 0.00 0.00 0.00 173.10 174.40 1sxl s SER 39 N -3.73 6.53 -0.78 1.64 0.15 -1.26 -4.85 113.70 111.41 1sxl s SER 39 Ca 0.70 -2.16 -0.18 0.00 0.70 0.00 0.00 55.95 55.00 1sxl s SER 39 Cb -0.12 -2.58 -0.20 0.00 -1.71 0.00 0.00 66.02 61.41 1sxl s SER 39 CO 0.57 -1.48 1.95 2.30 1.20 0.00 0.00 173.24 177.78 1sxl n ILE 40 N 6.68 0.00 -0.86 6.45 -5.35 -1.26 -4.31 119.36 120.70 1sxl n ILE 40 Ca 0.46 -0.13 -0.09 0.00 -0.27 0.00 0.00 62.75 62.72 1sxl n ILE 40 Cb 0.47 -0.26 -0.13 0.00 -1.74 0.00 0.00 39.64 37.98 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 5.30 2.69 -0.24 7.28 0.24 0.54 -4.67 118.33 129.47 1sxl n VAL 41 Ca 0.52 -1.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 1sxl n VAL 41 Cb 0.05 -1.88 0.00 0.00 -1.47 0.00 0.00 33.84 30.54 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 2.31 0.00 -3.36 7.34 7.27 -1.24 -4.74 117.38 124.96 1sxl n GLN 42 Ca 0.33 0.08 -0.38 0.00 0.07 0.00 0.00 57.00 57.10 1sxl n GLN 42 Cb 0.80 -0.16 -0.06 0.00 2.41 0.00 0.00 30.24 33.23 1sxl n GLN 42 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1sxl s LYS 43 N -0.12 4.26 0.19 3.69 -2.85 -1.26 -3.43 119.74 120.22 1sxl s LYS 43 Ca 0.00 0.43 0.05 0.00 -1.00 0.00 0.00 55.97 55.46 1sxl s LYS 43 Cb 0.00 -3.39 -0.05 0.00 -2.06 0.00 0.00 37.83 32.33 1sxl s LYS 43 CO 0.00 0.28 -0.09 0.54 0.10 0.00 0.00 175.35 176.18 1sxl s ASN 44 N 0.24 2.08 0.40 0.03 2.20 -1.06 -4.77 114.94 114.07 1sxl s ASN 44 Ca 0.25 -1.07 0.08 0.00 -0.94 0.00 0.00 52.86 51.17 1sxl s ASN 44 Cb -0.15 -0.05 -0.03 0.00 -2.00 0.00 0.00 41.25 39.02 1sxl s ASN 44 CO 0.11 -0.33 0.32 -0.63 -2.94 0.00 0.00 177.10 173.62 1sxl s ILE 45 N -3.23 2.73 -0.12 0.54 1.01 -1.26 -2.24 121.20 118.63 1sxl s ILE 45 Ca 0.22 -1.43 -0.04 0.00 0.00 0.00 0.00 60.65 59.40 1sxl s ILE 45 Cb 0.02 -3.02 0.06 0.00 0.01 0.00 0.00 42.46 39.53 1sxl s ILE 45 CO 0.05 -0.04 0.20 -0.76 0.00 0.00 0.00 174.94 174.39 1sxl s LEU 46 N -4.05 -0.13 0.00 2.97 2.01 0.86 -4.90 118.68 115.43 1sxl s LEU 46 Ca 0.45 0.28 0.00 0.00 0.01 0.00 0.00 54.13 54.87 1sxl s LEU 46 Cb -0.02 0.40 0.00 0.00 0.01 0.00 0.00 46.19 46.58 1sxl s LEU 46 CO 0.26 -0.26 0.00 -2.11 1.01 0.00 0.00 176.35 175.25 1sxl n ARG 47 N 5.33 1.94 -1.37 1.70 1.85 -1.26 -2.37 116.66 122.48 1sxl n ARG 47 Ca -0.05 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.50 1sxl n ARG 47 Cb 0.50 0.00 0.11 0.00 -1.05 0.00 0.00 32.46 32.02 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 -1.00 4.08 0.00 2.89 1.47 -1.26 -4.86 116.67 117.99 1sxl s ASP 48 Ca 0.00 1.45 0.00 0.00 1.18 0.00 0.00 52.55 55.18 1sxl s ASP 48 Cb 0.00 -2.16 0.00 0.00 -0.34 0.00 0.00 42.92 40.42 1sxl s ASP 48 CO 0.00 -2.25 0.00 1.17 0.68 0.00 0.00 175.17 174.77 1sxl n LYS 49 N -3.63 0.00 -0.06 2.11 3.00 -1.26 -4.98 118.16 113.34 1sxl n LYS 49 Ca 0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.30 1sxl n LYS 49 Cb 0.55 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.53 1sxl n LYS 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1sxl n LEU 50 N 0.00 2.99 0.00 3.14 4.77 -1.26 -5.03 117.00 121.61 1sxl n LEU 50 Ca 0.00 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1sxl n LEU 50 Cb 0.00 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1sxl n LEU 50 CO 0.00 0.69 0.00 0.41 -1.33 0.00 0.00 177.39 177.16 1sxl n THR 51 N -2.84 0.00 0.00 -5.08 -1.04 -1.26 -5.03 114.28 99.03 1sxl n THR 51 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 1sxl n THR 51 Cb 0.72 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 1sxl n THR 51 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sxl n GLY 52 N 5.00 -1.10 0.00 3.41 0.00 -1.26 -5.04 105.19 106.20 1sxl n GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sxl n GLY 52 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1sxl n ARG 53 N -0.52 0.00 -1.52 1.61 1.85 -1.26 -4.72 116.66 112.10 1sxl n ARG 53 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.51 1sxl n ARG 53 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 1sxl n ARG 53 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1sxl n PRO 54 N -0.65 0.39 0.01 2.89 -0.04 -1.26 -4.35 135.00 131.99 1sxl n PRO 54 Ca 0.00 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1sxl n PRO 54 Cb 0.00 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 1sxl n PRO 54 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1sxl n ARG 55 N 8.31 0.00 -2.24 0.54 3.00 -1.26 -5.13 116.66 119.89 1sxl n ARG 55 Ca 0.55 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 58.37 1sxl n ARG 55 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.68 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 1.07 -4.47 3.13 5.14 0.00 -1.25 -4.04 105.19 104.76 1sxl n GLY 56 Ca 0.00 1.03 -0.20 0.00 0.00 0.00 0.00 46.02 46.85 1sxl n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sxl s VAL 57 N -0.50 1.07 0.30 1.61 1.01 -1.00 -0.05 120.40 122.84 1sxl s VAL 57 Ca -0.18 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.78 1sxl s VAL 57 Cb 0.01 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.42 1sxl s VAL 57 CO 0.53 0.01 0.46 0.00 0.00 0.00 0.00 175.10 176.11 1sxl s ALA 58 N -0.82 0.39 -0.27 5.51 0.00 -0.68 -0.10 121.76 125.80 1sxl s ALA 58 Ca 0.01 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 1sxl s ALA 58 Cb -0.08 1.13 0.16 0.00 0.00 0.00 0.00 23.12 24.33 1sxl s ALA 58 CO 0.01 -0.80 0.46 -0.06 0.00 0.00 0.00 175.76 175.37 1sxl s PHE 59 N -3.44 -1.16 -0.62 0.00 0.40 -0.95 -1.72 117.98 110.49 1sxl s PHE 59 Ca 0.28 1.02 -0.25 0.00 -0.60 0.00 0.00 56.93 57.38 1sxl s PHE 59 Cb -0.00 0.17 0.05 0.00 0.51 0.00 0.00 43.02 43.75 1sxl s PHE 59 CO 0.15 -0.84 1.05 0.08 0.70 0.00 0.00 175.22 176.36 1sxl s VAL 60 N 2.66 4.19 -0.06 -0.44 1.01 -0.92 -2.57 120.40 124.26 1sxl s VAL 60 Ca 0.14 0.19 -0.27 0.00 0.00 0.00 0.00 61.98 62.05 1sxl s VAL 60 Cb -0.14 -4.68 -0.03 0.00 0.00 0.00 0.00 36.38 31.52 1sxl s VAL 60 CO -0.20 -1.39 0.85 -0.13 0.00 0.00 0.00 175.10 174.22 1sxl s ARG 61 N 4.47 4.46 0.27 2.72 0.52 -1.22 -2.62 118.95 127.54 1sxl s ARG 61 Ca 0.30 1.14 -0.21 0.00 -0.52 0.00 0.00 55.73 56.44 1sxl s ARG 61 Cb -0.12 -3.48 0.05 0.00 0.52 0.00 0.00 34.95 31.91 1sxl s ARG 61 CO 0.16 -0.07 0.83 1.52 0.02 0.00 0.00 175.30 177.77 1sxl s TYR 62 N 1.18 -0.06 0.00 -0.53 -0.85 -1.26 0.20 117.35 116.03 1sxl s TYR 62 Ca 0.44 -0.42 0.00 0.00 -0.52 0.00 0.00 57.07 56.56 1sxl s TYR 62 Cb -0.19 0.73 0.00 0.00 0.38 0.00 0.00 41.96 42.88 1sxl s TYR 62 CO 0.21 -1.20 0.00 0.27 -1.52 0.00 0.00 175.55 173.31 1sxl n ASN 63 N -0.82 0.00 0.00 -0.18 0.23 -1.25 -3.18 115.26 110.05 1sxl n ASN 63 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 1sxl n ASN 63 Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.30 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 -0.34 -3.83 4.76 -1.26 -3.24 118.16 114.25 1sxl n LYS 64 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 1sxl n LYS 64 Cb 0.00 0.00 0.15 0.00 -1.84 0.00 0.00 35.03 33.34 1sxl n LYS 64 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 1sxl h ARG 65 N 2.37 1.06 -0.50 1.97 -0.00 -1.87 0.35 114.38 117.77 1sxl h ARG 65 Ca 0.00 -0.06 -0.11 0.00 -0.00 0.00 0.00 59.98 59.81 1sxl h ARG 65 Cb 0.00 -0.24 -0.02 0.00 -0.00 0.00 0.00 29.97 29.71 1sxl h ARG 65 CO 0.00 0.70 -0.13 1.49 -0.00 0.00 0.00 179.97 182.03 1sxl h GLU 66 N 1.09 0.94 -0.12 0.08 4.57 -1.97 -1.57 114.58 117.60 1sxl h GLU 66 Ca 0.40 -0.35 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1sxl h GLU 66 Cb 0.14 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1sxl h GLU 66 CO -0.16 1.01 0.08 0.93 -1.18 0.00 0.00 179.01 179.69 1sxl h GLU 67 N 0.84 0.12 -0.44 1.92 4.39 -1.33 0.25 114.58 120.32 1sxl h GLU 67 Ca 0.13 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.72 1sxl h GLU 67 Cb 0.67 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 1sxl h GLU 67 CO 0.05 0.08 -0.16 0.00 -1.16 0.00 0.00 179.01 177.82 1sxl h ALA 68 N 1.93 0.90 -0.84 3.43 0.00 -0.01 -0.96 119.26 123.71 1sxl h ALA 68 Ca 0.05 -0.35 0.16 0.00 0.00 0.00 0.00 54.91 54.77 1sxl h ALA 68 Cb 0.04 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1sxl h ALA 68 CO -0.01 0.63 0.55 0.37 0.00 0.00 0.00 179.25 180.79 1sxl h GLN 69 N 0.73 0.47 0.24 0.00 4.15 -0.09 0.13 115.11 120.74 1sxl h GLN 69 Ca 0.11 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1sxl h GLN 69 Cb 0.67 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1sxl h GLN 69 CO 0.05 0.31 -0.11 0.93 -1.93 0.00 0.00 178.83 178.08 1sxl h GLU 70 N 0.48 -0.30 0.00 1.69 3.07 -0.78 -0.27 114.58 118.47 1sxl h GLU 70 Ca 0.42 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 1sxl h GLU 70 Cb 0.91 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1sxl h GLU 70 CO -0.16 -0.15 0.00 0.00 -1.40 0.00 0.00 179.01 177.30 1sxl n ALA 71 N -2.27 1.68 -0.07 3.43 0.00 0.23 -0.95 120.51 122.57 1sxl n ALA 71 Ca -0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.23 1sxl n ALA 71 Cb 0.17 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 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 0.36 0.00 0.00 1.08 0.83 0.55 117.51 120.33 1sxl h ILE 72 Ca 0.00 -1.33 0.00 0.00 -0.39 0.00 0.00 64.86 63.14 1sxl h ILE 72 Cb 0.09 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 1sxl h ILE 72 CO 0.00 0.12 0.00 -0.24 -0.69 0.00 0.00 178.15 177.34 1sxl n SER 73 N -4.66 0.00 0.00 1.72 2.88 -0.84 -2.01 113.62 110.71 1sxl n SER 73 Ca -0.08 -1.07 0.00 0.00 -1.33 0.00 0.00 58.87 56.40 1sxl n SER 73 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 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 -0.96 2.42 0.01 -1.46 0.00 -0.13 -4.83 120.51 115.56 1sxl n ALA 74 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.60 1sxl n ALA 74 Cb 0.10 0.32 -0.12 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.75 0.00 4.07 -0.44 -3.32 115.31 113.87 1sxl h LEU 75 Ca 0.00 0.00 0.29 0.00 0.08 0.00 0.00 57.88 58.25 1sxl h LEU 75 Cb 0.64 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.34 1sxl h LEU 75 CO 0.00 0.84 0.89 -1.13 -1.08 0.00 0.00 178.44 177.96 1sxl h ASN 76 N 0.00 0.00 -1.70 -0.43 -0.73 0.50 -3.09 115.58 110.13 1sxl h ASN 76 Ca -0.22 0.00 -0.40 0.00 1.87 0.00 0.00 56.30 57.55 1sxl h ASN 76 Cb 1.84 0.00 -0.29 0.00 0.27 0.00 0.00 38.32 40.14 1sxl h ASN 76 CO 0.07 0.00 -0.78 -0.46 -0.37 0.00 0.00 177.43 175.89 1sxl n ASN 77 N -3.77 -1.69 -4.54 1.15 0.23 -1.21 -3.15 115.26 102.27 1sxl n ASN 77 Ca 0.21 -2.65 -0.43 0.00 -0.53 0.00 0.00 54.58 51.19 1sxl n ASN 77 Cb 1.21 0.43 -0.04 0.00 -2.08 0.00 0.00 39.78 39.31 1sxl n ASN 77 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1sxl s VAL 78 N 0.31 4.39 0.00 3.53 1.01 -1.17 -4.88 120.40 123.60 1sxl s VAL 78 Ca 0.32 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.79 1sxl s VAL 78 Cb 0.04 -4.52 0.00 0.00 0.00 0.00 0.00 36.38 31.91 1sxl s VAL 78 CO -0.14 -1.04 0.00 0.00 0.00 0.00 0.00 175.10 173.92 1sxl n ILE 79 N 6.31 0.00 -0.50 2.22 3.06 -1.26 -4.48 119.36 124.72 1sxl n ILE 79 Ca 0.04 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.18 1sxl n ILE 79 Cb 0.48 0.00 0.03 0.00 0.54 0.00 0.00 39.64 40.69 1sxl n ILE 79 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1sxl n PRO 80 N -0.29 1.51 -4.44 9.51 -0.04 -1.26 -4.81 135.00 135.18 1sxl n PRO 80 Ca 0.00 -1.04 -0.37 0.00 -0.04 0.00 0.00 63.50 62.04 1sxl n PRO 80 Cb 0.00 -1.41 -0.09 0.00 -0.04 0.00 0.00 33.50 31.96 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 0.52 -0.89 -0.01 0.54 1.02 -1.26 -4.77 120.64 115.79 1sxl n GLU 81 Ca 0.20 0.13 0.11 0.00 -0.02 0.00 0.00 57.16 57.58 1sxl n GLU 81 Cb 0.64 -4.23 -0.17 0.00 -0.02 0.00 0.00 31.44 27.66 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 -1.74 -0.99 0.00 0.62 0.00 -1.26 -4.98 105.19 96.83 1sxl n GLY 82 Ca -0.08 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 1.27 2.85 0.00 -0.02 0.00 -1.26 -5.11 105.19 102.91 1sxl n GLY 83 Ca -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 0.00 -1.82 1.61 2.88 -1.26 -5.03 113.62 110.00 1sxl n SER 84 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1sxl n SER 84 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 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 0.00 0.49 0.00 -1.46 10.64 -1.26 -5.10 117.38 120.69 1sxl n GLN 85 Ca 0.00 -2.17 0.00 0.00 -1.83 0.00 0.00 57.00 53.00 1sxl n GLN 85 Cb 0.00 -0.29 0.00 0.00 -0.86 0.00 0.00 30.24 29.09 1sxl n GLN 85 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1sxl n PRO 86 N 0.05 0.47 -3.52 2.61 -0.04 -1.26 -4.24 135.00 129.06 1sxl n PRO 86 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1sxl n PRO 86 Cb 0.99 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 34.34 1sxl n PRO 86 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1sxl s LEU 87 N 0.00 4.60 -0.32 1.53 0.05 -1.26 -4.46 118.68 118.81 1sxl s LEU 87 Ca 0.00 -0.50 -0.29 0.00 0.05 0.00 0.00 54.13 53.39 1sxl s LEU 87 Cb 0.00 -2.14 0.01 0.00 -2.05 0.00 0.00 46.19 42.02 1sxl s LEU 87 CO 0.00 -0.27 1.12 -0.55 -0.55 0.00 0.00 176.35 176.11 1sxl s SER 88 N 1.71 6.87 0.56 1.48 0.15 -1.02 -3.33 113.70 120.12 1sxl s SER 88 Ca 0.06 1.08 0.02 0.00 0.70 0.00 0.00 55.95 57.81 1sxl s SER 88 Cb -0.18 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.64 1sxl s SER 88 CO 0.10 -0.93 0.78 0.68 1.20 0.00 0.00 173.24 175.07 1sxl s VAL 89 N 3.81 2.62 0.00 4.45 -7.23 -1.25 -1.85 120.40 120.95 1sxl s VAL 89 Ca 0.48 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 1sxl s VAL 89 Cb -0.13 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.91 1sxl s VAL 89 CO 0.17 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 173.82 1sxl n ARG 90 N -2.33 0.00 -1.30 4.82 0.63 -1.21 -4.93 116.66 112.34 1sxl n ARG 90 Ca 0.09 0.00 -0.57 0.00 -0.92 0.00 0.00 57.85 56.45 1sxl n ARG 90 Cb 0.60 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.39 1sxl n ARG 90 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1sxl n LEU 91 N 0.00 0.96 0.00 6.15 4.77 -1.26 -2.30 117.00 125.32 1sxl n LEU 91 Ca 0.00 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1sxl n LEU 91 Cb 0.00 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1sxl n LEU 91 CO 0.00 -0.77 0.00 0.00 -1.33 0.00 0.00 177.39 175.29 1sxl n ALA 92 N 8.13 0.00 -3.14 -1.18 0.00 -1.25 -4.82 120.51 118.26 1sxl n ALA 92 Ca 0.53 0.00 0.05 0.00 0.00 0.00 0.00 53.44 54.02 1sxl n ALA 92 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1sxl n ALA 92 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1sxl s GLU 93 N 0.00 0.24 0.00 0.00 2.56 -1.26 -4.88 118.70 115.36 1sxl s GLU 93 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.97 55.18 1sxl s GLU 93 Cb 0.00 0.10 0.00 0.00 2.00 0.00 0.00 34.13 36.23 1sxl s GLU 93 CO 0.00 -0.44 0.00 -0.85 -0.56 0.00 0.00 175.26 173.41 1sxl n GLU 94 N 5.12 -0.05 -1.41 4.30 0.28 -1.25 -5.01 120.64 122.61 1sxl n GLU 94 Ca 0.08 0.01 -0.29 0.00 -0.16 0.00 0.00 57.16 56.80 1sxl n GLU 94 Cb 0.57 -2.81 0.19 0.00 1.43 0.00 0.00 31.44 30.82 1sxl n GLU 94 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 1sxl s HIS 95 N -3.15 1.60 0.59 -1.84 -3.43 -1.26 -5.00 115.29 102.79 1sxl s HIS 95 Ca 0.00 0.64 -0.16 0.00 -0.80 0.00 0.00 55.06 54.74 1sxl s HIS 95 Cb 0.00 -3.54 -0.04 0.00 -1.43 0.00 0.00 32.58 27.57 1sxl s HIS 95 CO 0.00 -3.01 1.06 0.20 -2.00 0.00 0.00 174.74 170.99 1sxl s GLY 96 N -4.08 2.14 0.00 -1.38 0.00 -1.26 -5.05 107.32 97.70 1sxl s GLY 96 Ca 0.68 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.81 1sxl s GLY 96 CO 0.55 0.72 0.00 0.58 0.00 0.00 0.00 173.10 174.95