#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 6.70 0.00 3.17 0.15 -1.26 -5.00 113.70 117.47 1sxl s SER 2 Ca 0.00 1.80 0.00 0.00 0.70 0.00 0.00 55.95 58.45 1sxl s SER 2 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1sxl s SER 2 CO 0.00 -0.53 0.03 -1.22 1.20 0.00 0.00 173.24 172.72 1sxl n TYR 3 N -0.73 0.00 0.00 3.44 4.02 -1.26 -4.94 117.16 117.69 1sxl n TYR 3 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 1sxl n TYR 3 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 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 -2.88 0.00 -2.74 -0.72 0.00 -1.26 -5.12 120.51 107.79 1sxl n ALA 4 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1sxl n ALA 4 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1sxl n ALA 4 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1sxl s ARG 5 N -0.91 0.80 0.36 0.00 1.70 -1.26 -4.92 118.95 114.73 1sxl s ARG 5 Ca 0.00 -0.79 0.08 0.00 -0.47 0.00 0.00 55.73 54.55 1sxl s ARG 5 Cb 0.00 -0.04 -0.04 0.00 -0.57 0.00 0.00 34.95 34.30 1sxl s ARG 5 CO 0.00 -0.99 0.19 -1.25 -1.08 0.00 0.00 175.30 172.17 1sxl s PRO 6 N 0.92 2.39 0.00 3.89 0.04 -1.26 -5.09 135.00 135.89 1sxl s PRO 6 Ca 0.28 -1.59 0.00 0.00 0.04 0.00 0.00 61.00 59.73 1sxl s PRO 6 Cb 0.04 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1sxl s PRO 6 CO -0.07 0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.41 1sxl n GLY 7 N -1.24 1.10 0.00 0.56 0.00 -1.26 -4.58 105.19 99.77 1sxl n GLY 7 Ca -0.02 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.57 0.46 0.00 -0.02 0.00 -1.15 -4.88 105.19 98.03 1sxl n GLY 8 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.40 0.00 -3.08 1.61 4.07 -1.26 -2.94 120.64 118.65 1sxl n GLU 9 Ca 0.00 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.78 1sxl n GLU 9 Cb 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.33 1sxl n GLU 9 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1sxl s SER 10 N -3.87 6.69 -0.54 4.31 0.01 -1.26 -3.10 113.70 115.95 1sxl s SER 10 Ca 0.00 1.22 -0.07 0.00 1.31 0.00 0.00 55.95 58.41 1sxl s SER 10 Cb 0.00 -2.35 0.07 0.00 0.21 0.00 0.00 66.02 63.95 1sxl s SER 10 CO 0.00 -0.25 0.17 0.00 0.41 0.00 0.00 173.24 173.57 1sxl n ILE 11 N -0.61 0.00 -1.86 1.44 0.13 -1.26 -4.43 119.36 112.77 1sxl n ILE 11 Ca 0.03 0.00 -0.04 0.00 -1.10 0.00 0.00 62.75 61.64 1sxl n ILE 11 Cb 0.53 -0.14 -0.04 0.00 -0.84 0.00 0.00 39.64 39.15 1sxl n ILE 11 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1sxl n LYS 12 N -2.75 0.00 0.00 9.51 3.00 -1.25 -4.75 118.16 121.91 1sxl n LYS 12 Ca 0.03 -0.53 0.15 0.00 -0.00 0.00 0.00 58.31 57.96 1sxl n LYS 12 Cb 0.45 0.34 0.84 0.00 0.00 0.00 0.00 35.03 36.65 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 0.00 0.00 -3.14 3.14 8.00 -1.15 -2.93 116.55 120.46 1sxl n ASP 13 Ca -0.15 -0.64 0.02 0.00 0.71 0.00 0.00 54.79 54.74 1sxl n ASP 13 Cb 0.54 -0.11 -0.00 0.00 -0.02 0.00 0.00 41.12 41.52 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 -2.22 -0.87 -0.56 -3.53 2.01 0.20 -2.93 115.64 107.74 1sxl s THR 14 Ca 0.39 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 62.14 1sxl s THR 14 Cb 0.20 -0.33 0.04 0.00 0.01 0.00 0.00 72.50 72.42 1sxl s THR 14 CO 0.39 0.00 1.00 0.21 -0.69 0.00 0.00 174.62 175.53 1sxl s ASN 15 N 2.24 6.37 -0.64 3.53 3.84 -1.25 -0.45 114.94 128.59 1sxl s ASN 15 Ca 0.15 -0.22 -0.28 0.00 0.21 0.00 0.00 52.86 52.72 1sxl s ASN 15 Cb -0.05 -2.47 0.03 0.00 -0.55 0.00 0.00 41.25 38.21 1sxl s ASN 15 CO -0.15 -1.29 1.28 -0.22 -2.79 0.00 0.00 177.10 173.94 1sxl s LEU 16 N 4.20 3.33 -0.98 3.21 2.96 -0.25 -3.75 118.68 127.41 1sxl s LEU 16 Ca 0.34 -0.06 -0.15 0.00 -0.22 0.00 0.00 54.13 54.04 1sxl s LEU 16 Cb -0.11 -2.91 0.18 0.00 0.50 0.00 0.00 46.19 43.85 1sxl s LEU 16 CO 0.21 -1.67 1.08 -0.47 -1.32 0.00 0.00 176.35 174.18 1sxl s TYR 17 N 5.53 3.53 -0.72 5.38 5.04 -1.00 -1.72 117.35 133.39 1sxl s TYR 17 Ca 0.42 -1.87 -0.21 0.00 -2.44 0.00 0.00 57.07 52.97 1sxl s TYR 17 Cb -0.08 -4.10 0.09 0.00 0.35 0.00 0.00 41.96 38.22 1sxl s TYR 17 CO 0.21 -1.26 0.96 0.14 -1.34 0.00 0.00 175.55 174.27 1sxl s VAL 18 N 1.25 4.51 0.00 3.14 -7.23 -0.88 -4.24 120.40 116.95 1sxl s VAL 18 Ca 0.30 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 1sxl s VAL 18 Cb -0.07 -4.68 0.00 0.00 0.56 0.00 0.00 36.38 32.20 1sxl s VAL 18 CO -0.07 -1.42 0.00 0.41 -0.31 0.00 0.00 175.10 173.71 1sxl n THR 19 N 5.75 0.00 -2.97 5.32 -1.04 -1.05 -0.82 114.28 119.47 1sxl n THR 19 Ca 0.02 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.94 1sxl n THR 19 Cb 0.46 -1.40 0.01 0.00 -1.82 0.00 0.00 70.33 67.58 1sxl n THR 19 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1sxl n ASN 20 N -1.66 -7.35 -3.75 8.00 5.15 -1.26 -1.67 115.26 112.72 1sxl n ASN 20 Ca 0.00 0.70 -0.12 0.00 -0.60 0.00 0.00 54.58 54.56 1sxl n ASN 20 Cb 0.00 -4.13 -0.13 0.00 -0.53 0.00 0.00 39.78 34.99 1sxl n ASN 20 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1sxl s LEU 21 N -1.99 0.62 -0.59 1.20 1.02 -1.26 -4.05 118.68 113.62 1sxl s LEU 21 Ca 0.15 0.51 0.00 0.00 0.02 0.00 0.00 54.13 54.81 1sxl s LEU 21 Cb -0.03 0.75 0.46 0.00 0.02 0.00 0.00 46.19 47.39 1sxl s LEU 21 CO 0.67 -0.14 1.87 -0.81 0.02 0.00 0.00 176.35 177.95 1sxl n PRO 22 N 3.85 2.85 -3.97 1.29 -0.04 -1.26 -4.93 135.00 132.79 1sxl n PRO 22 Ca -0.22 -3.45 -0.37 0.00 -0.04 0.00 0.00 63.50 59.42 1sxl n PRO 22 Cb 0.55 -2.28 0.01 0.00 -0.04 0.00 0.00 33.50 31.74 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 -0.89 -0.46 0.01 0.54 1.74 -1.26 -4.82 116.66 111.52 1sxl n ARG 23 Ca 0.59 0.04 0.11 0.00 -0.77 0.00 0.00 57.85 57.82 1sxl n ARG 23 Cb 0.75 -1.84 -0.09 0.00 -1.02 0.00 0.00 32.46 30.26 1sxl n ARG 23 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1sxl n THR 24 N -4.11 0.10 -4.60 0.55 5.66 -1.26 -4.97 114.28 105.65 1sxl n THR 24 Ca -0.12 -0.32 -0.28 0.00 -3.05 0.00 0.00 64.05 60.28 1sxl n THR 24 Cb 0.48 0.26 -0.08 0.00 -1.55 0.00 0.00 70.33 69.44 1sxl n THR 24 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1sxl s ILE 25 N -3.30 0.69 0.22 1.09 -5.25 -1.26 -5.16 121.20 108.24 1sxl s ILE 25 Ca -0.00 -2.00 0.06 0.00 -0.99 0.00 0.00 60.65 57.72 1sxl s ILE 25 Cb 0.14 -2.23 -0.04 0.00 2.95 0.00 0.00 42.46 43.29 1sxl s ILE 25 CO 0.86 0.00 0.18 0.42 -1.79 0.00 0.00 174.94 174.61 1sxl s THR 26 N -3.09 4.48 0.06 8.37 -4.23 -1.26 -5.00 115.64 114.97 1sxl s THR 26 Ca 0.16 -1.29 -0.28 0.00 -1.18 0.00 0.00 61.69 59.10 1sxl s THR 26 Cb 0.01 -3.38 -0.14 0.00 1.34 0.00 0.00 72.50 70.33 1sxl s THR 26 CO 0.11 -0.28 1.43 -0.78 -0.54 0.00 0.00 174.62 174.56 1sxl h ASP 27 N 1.76 -1.04 0.00 3.99 3.58 -1.92 -0.51 116.42 122.28 1sxl h ASP 27 Ca -0.48 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1sxl h ASP 27 Cb 1.23 0.33 0.00 0.00 1.72 0.00 0.00 39.33 42.61 1sxl h ASP 27 CO 0.61 -0.53 0.13 -0.78 -2.88 0.00 0.00 179.24 175.79 1sxl h ASP 28 N -0.81 0.00 0.04 2.28 1.82 -1.96 -2.41 116.42 115.37 1sxl h ASP 28 Ca -0.06 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1sxl h ASP 28 Cb 0.69 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1sxl h ASP 28 CO -0.01 0.00 -0.02 -0.61 -1.61 0.00 0.00 179.24 176.99 1sxl h GLN 29 N 0.00 -0.05 -1.27 0.28 4.15 -1.49 -3.13 115.11 113.59 1sxl h GLN 29 Ca 0.00 0.00 0.37 0.00 0.77 0.00 0.00 58.65 59.79 1sxl h GLN 29 Cb 0.25 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.88 1sxl h GLN 29 CO 0.00 0.59 0.88 -0.07 -1.93 0.00 0.00 178.83 178.31 1sxl h LEU 30 N -0.82 0.13 -0.44 -2.39 4.07 -1.07 0.35 115.31 115.13 1sxl h LEU 30 Ca -0.01 0.04 0.09 0.00 0.08 0.00 0.00 57.88 58.08 1sxl h LEU 30 Cb 0.67 0.02 -0.10 0.00 1.08 0.00 0.00 40.66 42.34 1sxl h LEU 30 CO 0.01 -0.00 -0.26 -0.78 -1.08 0.00 0.00 178.44 176.33 1sxl h ASP 31 N 0.10 -0.87 -0.68 -0.43 1.82 -1.61 0.44 116.42 115.19 1sxl h ASP 31 Ca 0.65 0.18 -0.04 0.00 -0.39 0.00 0.00 57.03 57.43 1sxl h ASP 31 Cb 2.33 0.44 -0.03 0.00 0.68 0.00 0.00 39.33 42.75 1sxl h ASP 31 CO -0.12 -0.27 0.27 0.74 -1.61 0.00 0.00 179.24 178.25 1sxl h THR 32 N -0.17 1.24 0.00 2.25 2.02 -0.44 -0.38 112.91 117.43 1sxl h THR 32 Ca 0.20 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1sxl h THR 32 Cb 0.49 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1sxl h THR 32 CO -0.54 0.30 0.00 0.00 0.37 0.00 0.00 175.52 175.65 1sxl n ILE 33 N -4.39 1.11 0.00 3.11 0.13 0.38 -3.45 119.36 116.25 1sxl n ILE 33 Ca 0.05 0.47 0.00 0.00 -1.10 0.00 0.00 62.75 62.17 1sxl n ILE 33 Cb 0.17 -1.42 0.00 0.00 -0.84 0.00 0.00 39.64 37.55 1sxl n ILE 33 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 1sxl n PHE 34 N -2.05 0.00 0.00 9.51 3.01 0.13 -4.62 117.46 123.44 1sxl n PHE 34 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1sxl n PHE 34 Cb 0.11 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 1sxl n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sxl n GLY 35 N 2.16 0.55 0.00 1.37 0.00 -1.04 -4.88 105.19 103.34 1sxl n GLY 35 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1sxl n GLY 35 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1sxl n LYS 36 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -4.93 118.16 113.58 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 0.66 0.00 0.00 0.00 177.40 178.06 1sxl n TYR 37 N 0.00 0.00 -3.64 5.58 4.01 -1.26 -4.95 117.16 116.89 1sxl n TYR 37 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1sxl n TYR 37 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 1sxl n TYR 37 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1sxl s GLY 38 N -0.88 1.85 -0.88 2.72 0.00 -1.26 -5.01 107.32 103.85 1sxl s GLY 38 Ca 0.00 -1.68 -0.25 0.00 0.00 0.00 0.00 44.72 42.79 1sxl s GLY 38 CO 0.00 -1.57 1.45 -0.56 0.00 0.00 0.00 173.10 172.42 1sxl s SER 39 N -4.08 6.19 -0.37 1.64 0.01 -1.26 -4.90 113.70 110.93 1sxl s SER 39 Ca 0.44 -0.89 -0.34 0.00 1.31 0.00 0.00 55.95 56.47 1sxl s SER 39 Cb -0.06 -2.56 -0.14 0.00 0.21 0.00 0.00 66.02 63.46 1sxl s SER 39 CO 0.28 -1.79 1.29 -0.38 0.41 0.00 0.00 173.24 173.05 1sxl n ILE 40 N 6.79 0.00 1.11 1.44 -0.00 -1.26 -4.71 119.36 122.73 1sxl n ILE 40 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.96 1sxl n ILE 40 Cb 0.50 -0.37 0.00 0.00 -0.00 0.00 0.00 39.64 39.78 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 3.47 0.01 0.00 1.39 0.24 0.22 -4.79 118.33 118.87 1sxl n VAL 41 Ca 0.28 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 1sxl n VAL 41 Cb -0.04 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 31.89 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 -0.06 0.00 -3.16 7.34 0.00 -0.91 -4.78 117.38 115.82 1sxl n GLN 42 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.00 56.80 1sxl n GLN 42 Cb 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.41 1sxl n GLN 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1sxl n LYS 43 N -0.68 0.43 -2.74 3.69 4.81 -1.16 -0.57 118.16 121.95 1sxl n LYS 43 Ca 0.00 -2.81 -0.21 0.00 -0.87 0.00 0.00 58.31 54.41 1sxl n LYS 43 Cb 0.00 -1.50 0.06 0.00 0.02 0.00 0.00 35.03 33.61 1sxl n LYS 43 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1sxl s ASN 44 N -0.24 4.98 -0.28 3.14 3.04 -0.95 -4.79 114.94 119.84 1sxl s ASN 44 Ca 0.33 -0.33 0.01 0.00 0.04 0.00 0.00 52.86 52.91 1sxl s ASN 44 Cb 0.08 -0.35 0.08 0.00 -1.54 0.00 0.00 41.25 39.52 1sxl s ASN 44 CO -0.15 -1.37 0.03 -0.51 -3.04 0.00 0.00 177.10 172.05 1sxl s ILE 45 N -2.82 1.47 0.00 -5.21 2.07 -1.26 -2.26 121.20 113.19 1sxl s ILE 45 Ca 0.61 -1.55 0.00 0.00 -1.41 0.00 0.00 60.65 58.30 1sxl s ILE 45 Cb -0.08 -1.96 0.00 0.00 0.13 0.00 0.00 42.46 40.55 1sxl s ILE 45 CO 0.40 -0.42 0.00 0.18 -1.91 0.00 0.00 174.94 173.19 1sxl n LEU 46 N 4.63 0.00 -3.57 8.50 4.32 0.98 -4.73 117.00 127.13 1sxl n LEU 46 Ca -0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.94 1sxl n LEU 46 Cb 0.43 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.19 1sxl n LEU 46 CO 0.17 0.00 0.38 -0.60 -1.22 0.00 0.00 177.39 176.12 1sxl s ARG 47 N 0.00 0.49 0.47 3.23 3.00 -1.26 -3.11 118.95 121.78 1sxl s ARG 47 Ca 0.00 1.20 0.00 0.00 -1.00 0.00 0.00 55.73 55.93 1sxl s ARG 47 Cb 0.00 0.69 0.00 0.00 0.00 0.00 0.00 34.95 35.64 1sxl s ARG 47 CO 0.00 -0.16 0.00 -0.25 0.00 0.00 0.00 175.30 174.89 1sxl n ASP 48 N 5.20 -9.01 -0.68 -2.12 9.92 -1.26 -4.34 116.55 114.26 1sxl n ASP 48 Ca -0.12 1.29 0.07 0.00 -0.53 0.00 0.00 54.79 55.51 1sxl n ASP 48 Cb 0.51 -4.94 0.11 0.00 -0.64 0.00 0.00 41.12 36.16 1sxl n ASP 48 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1sxl n LYS 49 N -0.34 1.65 0.00 -1.24 2.85 -1.26 -4.66 118.16 115.17 1sxl n LYS 49 Ca 0.00 -1.67 0.00 0.00 -1.05 0.00 0.00 58.31 55.59 1sxl n LYS 49 Cb 0.00 -1.31 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 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 0.85 0.70 -4.40 -5.58 0.00 -1.26 -5.07 117.00 102.24 1sxl n LEU 50 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 56.01 55.82 1sxl n LEU 50 Cb 0.41 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.70 1sxl n LEU 50 CO 0.10 0.02 -0.54 -0.89 0.00 0.00 0.00 177.39 176.07 1sxl s THR 51 N -1.90 2.40 -0.52 1.96 2.01 -1.26 -5.02 115.64 113.31 1sxl s THR 51 Ca 0.00 -1.44 -0.05 0.00 0.31 0.00 0.00 61.69 60.51 1sxl s THR 51 Cb 0.00 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1sxl s THR 51 CO 0.00 0.27 2.96 0.61 -0.69 0.00 0.00 174.62 177.77 1sxl n GLY 52 N 1.42 4.10 0.40 4.40 0.00 -1.26 -4.57 105.19 109.68 1sxl n GLY 52 Ca -0.17 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 1sxl n GLY 52 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1sxl h ARG 53 N 3.33 -0.06 0.00 1.61 9.65 -1.94 -3.38 114.38 123.59 1sxl h ARG 53 Ca 0.41 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.29 1sxl h ARG 53 Cb 0.85 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.44 1sxl h ARG 53 CO 0.84 -0.04 0.00 -0.35 2.80 0.00 0.00 179.97 183.22 1sxl n PRO 54 N -5.15 0.00 0.00 0.20 -0.04 -1.26 -5.04 135.00 123.71 1sxl n PRO 54 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1sxl n PRO 54 Cb 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 1sxl n PRO 54 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sxl n ARG 55 N 0.00 0.00 -1.07 0.54 5.12 -1.26 -5.13 116.66 114.86 1sxl n ARG 55 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1sxl n ARG 55 Cb 0.00 -0.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.84 1sxl n ARG 55 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sxl n GLY 56 N 1.06 -2.05 3.47 -0.13 0.00 -1.26 -4.85 105.19 101.42 1sxl n GLY 56 Ca 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 0.01 -0.02 1.61 1.01 -1.18 -4.57 120.40 117.25 1sxl s VAL 57 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1sxl s VAL 57 Cb 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1sxl s VAL 57 CO 0.00 -0.03 1.16 0.00 0.00 0.00 0.00 175.10 176.23 1sxl s ALA 58 N -2.01 3.42 -0.96 5.51 0.00 -0.00 -0.02 121.76 127.70 1sxl s ALA 58 Ca -0.07 0.65 -0.08 0.00 0.00 0.00 0.00 51.96 52.46 1sxl s ALA 58 Cb -0.01 -3.47 0.24 0.00 0.00 0.00 0.00 23.12 19.89 1sxl s ALA 58 CO 0.02 -0.61 0.91 -0.06 0.00 0.00 0.00 175.76 176.03 1sxl s PHE 59 N 1.77 4.01 -1.26 0.00 0.40 -0.96 -2.06 117.98 119.87 1sxl s PHE 59 Ca 0.56 -2.62 -0.14 0.00 -0.60 0.00 0.00 56.93 54.12 1sxl s PHE 59 Cb -0.25 -3.65 0.14 0.00 0.51 0.00 0.00 43.02 39.77 1sxl s PHE 59 CO 0.24 -0.90 1.65 0.28 0.70 0.00 0.00 175.22 177.19 1sxl n VAL 60 N 2.95 4.14 -2.46 -0.44 0.31 -0.70 -2.24 118.33 119.88 1sxl n VAL 60 Ca 0.20 -4.39 -0.43 0.00 -0.01 0.00 0.00 64.34 59.71 1sxl n VAL 60 Cb 0.40 -2.43 -0.02 0.00 -0.91 0.00 0.00 33.84 30.88 1sxl n VAL 60 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1sxl s ARG 61 N 2.13 3.82 0.21 5.55 3.52 0.27 -1.08 118.95 133.37 1sxl s ARG 61 Ca 0.45 1.04 0.01 0.00 -0.13 0.00 0.00 55.73 57.10 1sxl s ARG 61 Cb 0.02 -3.90 0.01 0.00 -1.56 0.00 0.00 34.95 29.52 1sxl s ARG 61 CO 0.01 -1.24 0.09 0.66 -0.81 0.00 0.00 175.30 174.01 1sxl n TYR 62 N 7.85 -0.42 0.00 5.12 4.02 0.41 0.70 117.16 134.83 1sxl n TYR 62 Ca 0.14 -0.96 0.00 0.00 -0.01 0.00 0.00 57.90 57.07 1sxl n TYR 62 Cb 0.47 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 1sxl n TYR 62 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1sxl n ASN 63 N -1.58 0.00 -0.98 7.72 6.94 -1.24 -2.45 115.26 123.68 1sxl n ASN 63 Ca -0.04 0.00 -0.11 0.00 -0.02 0.00 0.00 54.58 54.40 1sxl n ASN 63 Cb 0.25 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.66 1sxl n ASN 63 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1sxl n LYS 64 N 0.00 0.00 0.05 -3.83 4.81 -1.26 0.60 118.16 118.53 1sxl n LYS 64 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1sxl n LYS 64 Cb 0.00 -0.25 -0.04 0.00 0.02 0.00 0.00 35.03 34.75 1sxl n LYS 64 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sxl h ARG 65 N 0.35 -0.25 -1.00 1.64 2.47 -1.95 0.08 114.38 115.73 1sxl h ARG 65 Ca -0.08 0.02 0.17 0.00 -1.26 0.00 0.00 59.98 58.83 1sxl h ARG 65 Cb 0.32 0.06 -0.10 0.00 -1.65 0.00 0.00 29.97 28.60 1sxl h ARG 65 CO 0.13 -0.17 0.62 1.49 0.56 0.00 0.00 179.97 182.60 1sxl h GLU 66 N -0.26 0.80 -0.67 0.04 4.22 -1.94 0.33 114.58 117.10 1sxl h GLU 66 Ca 0.06 -0.05 0.14 0.00 0.08 0.00 0.00 59.36 59.59 1sxl h GLU 66 Cb 0.33 -0.18 -0.11 0.00 0.50 0.00 0.00 28.75 29.30 1sxl h GLU 66 CO -0.16 0.53 0.09 1.49 -2.18 0.00 0.00 179.01 178.77 1sxl h GLU 67 N 0.82 0.19 -0.96 1.92 4.81 -1.27 0.64 114.58 120.73 1sxl h GLU 67 Ca 0.55 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.82 1sxl h GLU 67 Cb 0.78 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.06 1sxl h GLU 67 CO -0.33 0.13 0.62 0.00 -0.73 0.00 0.00 179.01 178.70 1sxl h ALA 68 N 1.58 1.44 -0.97 2.92 0.00 0.04 0.14 119.26 124.41 1sxl h ALA 68 Ca 0.36 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.46 1sxl h ALA 68 Cb 0.60 -0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 1sxl h ALA 68 CO -0.51 0.43 0.62 1.96 0.00 0.00 0.00 179.25 181.75 1sxl h GLN 69 N 1.13 0.52 0.20 0.00 1.08 0.65 0.20 115.11 118.89 1sxl h GLN 69 Ca 0.40 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.56 1sxl h GLN 69 Cb 0.14 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1sxl h GLN 69 CO -0.15 0.35 -0.10 0.93 -0.95 0.00 0.00 178.83 178.91 1sxl h GLU 70 N 0.54 -0.26 0.00 1.46 5.08 -0.34 -2.46 114.58 118.60 1sxl h GLU 70 Ca 0.54 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 1sxl h GLU 70 Cb 1.14 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1sxl h GLU 70 CO -0.28 -0.17 0.29 0.00 -1.00 0.00 0.00 179.01 177.85 1sxl h ALA 71 N -1.32 1.22 0.00 3.43 0.00 -0.80 0.15 119.26 121.95 1sxl h ALA 71 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sxl h ALA 71 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sxl h ALA 71 CO 0.05 -0.22 -0.60 -0.89 0.00 0.00 0.00 179.25 177.58 1sxl n ILE 72 N -2.27 1.39 0.49 0.00 5.41 0.66 -1.74 119.36 123.29 1sxl n ILE 72 Ca -0.01 0.21 0.05 0.00 1.00 0.00 0.00 62.75 64.00 1sxl n ILE 72 Cb 0.32 -2.36 0.26 0.00 -0.71 0.00 0.00 39.64 37.15 1sxl n ILE 72 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1sxl n SER 73 N -4.51 0.00 -0.03 4.38 2.88 -0.93 -0.69 113.62 114.72 1sxl n SER 73 Ca -0.08 0.11 -0.08 0.00 -1.33 0.00 0.00 58.87 57.49 1sxl n SER 73 Cb 0.31 -0.27 -0.03 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.27 2.30 0.13 -1.46 0.00 0.51 -4.78 120.51 115.93 1sxl n ALA 74 Ca 0.05 -0.36 -0.23 0.00 0.00 0.00 0.00 53.44 52.89 1sxl n ALA 74 Cb 0.08 0.29 -0.16 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.37 0.75 -8.33 0.00 3.38 -1.37 -3.45 115.31 105.92 1sxl h LEU 75 Ca -0.16 -0.86 -0.75 0.00 0.09 0.00 0.00 57.88 56.20 1sxl h LEU 75 Cb 0.89 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1sxl h LEU 75 CO -0.10 1.69 1.26 -3.20 0.09 0.00 0.00 178.44 178.18 1sxl n ASN 76 N -3.67 1.32 -1.81 -0.43 2.85 0.13 -2.90 115.26 110.75 1sxl n ASN 76 Ca -0.18 0.68 -0.00 0.00 -0.11 0.00 0.00 54.58 54.97 1sxl n ASN 76 Cb 1.09 -1.02 -0.00 0.00 1.24 0.00 0.00 39.78 41.09 1sxl n ASN 76 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1sxl n ASN 77 N 7.70 -3.37 -2.22 1.20 2.85 -1.25 -4.89 115.26 115.29 1sxl n ASN 77 Ca 0.47 0.37 -0.31 0.00 -0.11 0.00 0.00 54.58 55.00 1sxl n ASN 77 Cb 0.05 -2.14 0.09 0.00 1.24 0.00 0.00 39.78 39.02 1sxl n ASN 77 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1sxl n VAL 78 N 0.21 3.37 -3.83 3.44 3.14 -1.14 -4.93 118.33 118.59 1sxl n VAL 78 Ca -0.01 -3.02 -0.08 0.00 -2.96 0.00 0.00 64.34 58.27 1sxl n VAL 78 Cb 0.02 -1.05 -0.02 0.00 -1.06 0.00 0.00 33.84 31.74 1sxl n VAL 78 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1sxl n ILE 79 N -0.92 0.00 0.00 1.55 5.41 -1.26 -5.03 119.36 119.11 1sxl n ILE 79 Ca 0.58 -0.96 0.00 0.00 1.00 0.00 0.00 62.75 63.38 1sxl n ILE 79 Cb 0.84 0.59 0.00 0.00 -0.71 0.00 0.00 39.64 40.36 1sxl n ILE 79 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1sxl n PRO 80 N -0.31 0.00 0.00 0.38 -0.04 -1.26 -4.96 135.00 128.80 1sxl n PRO 80 Ca 0.00 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1sxl n PRO 80 Cb 0.32 -0.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.66 0.00 -2.92 0.54 2.13 -1.26 -4.99 120.64 113.48 1sxl n GLU 81 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1sxl n GLU 81 Cb 0.00 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.76 1sxl n GLU 81 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sxl n GLY 82 N 0.00 -0.03 0.00 8.31 0.00 -1.26 -4.96 105.19 107.25 1sxl n GLY 82 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.14 0.09 0.00 -0.02 0.00 -1.26 -4.85 105.19 98.00 1sxl n GLY 83 Ca -0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.83 0.00 -2.11 1.61 2.88 -1.26 -4.91 113.62 108.99 1sxl n SER 84 Ca 0.00 -1.46 -0.01 0.00 -1.33 0.00 0.00 58.87 56.07 1sxl n SER 84 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.74 -1.51 -0.09 -1.46 6.02 -1.26 -4.66 117.38 113.68 1sxl n GLN 85 Ca 0.11 1.50 -0.11 0.00 -0.01 0.00 0.00 57.00 58.50 1sxl n GLN 85 Cb 0.05 -3.27 0.10 0.00 1.02 0.00 0.00 30.24 28.14 1sxl n GLN 85 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1sxl n PRO 86 N 0.07 -2.75 -3.59 -1.09 -0.04 -1.26 -4.60 135.00 121.74 1sxl n PRO 86 Ca 0.02 -0.50 -0.29 0.00 -0.04 0.00 0.00 63.50 62.69 1sxl n PRO 86 Cb 0.08 -0.68 -0.04 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.54 1.53 1.02 -1.26 -4.61 118.68 119.03 1sxl s LEU 87 Ca 0.23 0.57 -0.16 0.00 0.02 0.00 0.00 54.13 54.78 1sxl s LEU 87 Cb -0.04 -3.33 0.12 0.00 0.02 0.00 0.00 46.19 42.96 1sxl s LEU 87 CO 0.19 -0.05 0.50 -0.44 0.02 0.00 0.00 176.35 176.58 1sxl s SER 88 N -2.87 6.19 0.91 2.29 0.01 -0.67 -3.87 113.70 115.68 1sxl s SER 88 Ca 0.41 -1.73 -0.14 0.00 1.31 0.00 0.00 55.95 55.80 1sxl s SER 88 Cb -0.11 -2.21 0.14 0.00 0.21 0.00 0.00 66.02 64.05 1sxl s SER 88 CO 0.27 -0.86 1.21 0.68 0.41 0.00 0.00 173.24 174.95 1sxl s VAL 89 N 1.67 1.97 0.00 3.43 -7.23 -1.26 -2.53 120.40 116.45 1sxl s VAL 89 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 1sxl s VAL 89 Cb -0.29 -2.91 0.00 0.00 0.56 0.00 0.00 36.38 33.74 1sxl s VAL 89 CO 0.04 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 173.69 1sxl n ARG 90 N -3.65 0.00 -2.02 4.82 0.63 -1.26 -4.91 116.66 110.26 1sxl n ARG 90 Ca 0.10 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.62 1sxl n ARG 90 Cb 0.60 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.49 1sxl n ARG 90 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1sxl s LEU 91 N 0.00 4.39 0.72 6.15 1.02 -1.25 -2.36 118.68 127.35 1sxl s LEU 91 Ca 0.00 2.75 0.02 0.00 0.02 0.00 0.00 54.13 56.92 1sxl s LEU 91 Cb 0.00 -3.64 0.14 0.00 0.02 0.00 0.00 46.19 42.70 1sxl s LEU 91 CO 0.00 -0.66 0.99 0.00 0.02 0.00 0.00 176.35 176.69 1sxl s ALA 92 N -0.72 3.93 0.50 4.21 0.00 -1.25 -4.89 121.76 123.55 1sxl s ALA 92 Ca 0.53 -1.92 0.05 0.00 0.00 0.00 0.00 51.96 50.63 1sxl s ALA 92 Cb -0.42 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 20.86 1sxl s ALA 92 CO 0.51 -1.45 0.31 -2.00 0.00 0.00 0.00 175.76 173.13 1sxl s GLU 93 N -5.09 2.27 0.34 0.00 2.12 -1.26 -5.01 118.70 112.07 1sxl s GLU 93 Ca 0.67 -2.00 0.00 0.00 0.36 0.00 0.00 54.97 54.00 1sxl s GLU 93 Cb -0.04 -2.03 0.00 0.00 0.26 0.00 0.00 34.13 32.32 1sxl s GLU 93 CO 0.44 -0.46 0.00 0.39 -0.54 0.00 0.00 175.26 175.10 1sxl n GLU 94 N -1.58 -2.82 -1.18 4.30 1.02 -1.26 -4.72 120.64 114.40 1sxl n GLU 94 Ca -0.03 1.90 -0.37 0.00 -0.02 0.00 0.00 57.16 58.64 1sxl n GLU 94 Cb 0.64 -3.43 0.04 0.00 -0.02 0.00 0.00 31.44 28.67 1sxl n GLU 94 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1sxl n HIS 95 N -4.13 -2.74 0.00 -0.32 8.25 -1.26 -4.84 115.22 110.19 1sxl n HIS 95 Ca 0.00 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 1sxl n HIS 95 Cb 0.63 -1.70 0.00 0.00 1.12 0.00 0.00 29.99 30.04 1sxl n HIS 95 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sxl n GLY 96 N 2.44 0.17 0.00 -1.41 0.00 -1.26 -5.07 105.19 100.06 1sxl n GLY 96 Ca 0.06 -0.10 0.16 0.00 0.00 0.00 0.00 46.02 46.13 1sxl n GLY 96 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90