#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xlo s LYS 2 N 0.00 4.26 -0.01 1.43 1.02 -1.26 -0.76 119.74 124.42 1xlo s LYS 2 Ca 0.00 0.91 -0.01 0.00 0.02 0.00 0.00 55.97 56.89 1xlo s LYS 2 Cb 0.00 -2.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.51 1xlo s LYS 2 CO 0.00 0.34 0.03 0.54 -0.92 0.00 0.00 175.35 175.34 1xlo s VAL 3 N -1.60 -0.01 -0.21 3.17 0.11 -0.11 0.67 120.40 122.43 1xlo s VAL 3 Ca 0.45 0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.51 1xlo s VAL 3 Cb -0.16 -0.05 -0.00 0.00 -1.53 0.00 0.00 36.38 34.64 1xlo s VAL 3 CO 0.21 0.01 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.21 1xlo s VAL 4 N 0.15 2.98 -0.27 2.04 1.01 -0.15 -0.52 120.40 125.64 1xlo s VAL 4 Ca -0.01 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 1xlo s VAL 4 Cb -0.02 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1xlo s VAL 4 CO -0.00 0.46 0.22 -0.31 0.00 0.00 0.00 175.10 175.46 1xlo s TYR 5 N 1.38 3.24 -0.36 5.22 1.51 0.20 -1.28 117.35 127.26 1xlo s TYR 5 Ca 0.05 0.19 -0.08 0.00 -1.01 0.00 0.00 57.07 56.22 1xlo s TYR 5 Cb -0.14 -2.39 0.04 0.00 -0.11 0.00 0.00 41.96 39.36 1xlo s TYR 5 CO -0.06 -0.13 0.16 0.08 -1.11 0.00 0.00 175.55 174.50 1xlo s VAL 6 N 1.67 4.06 1.13 0.71 1.01 -0.18 -1.13 120.40 127.68 1xlo s VAL 6 Ca 0.08 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 1xlo s VAL 6 Cb -0.16 -3.33 0.27 0.00 0.00 0.00 0.00 36.38 33.16 1xlo s VAL 6 CO 0.10 -0.26 1.04 -0.44 0.00 0.00 0.00 175.10 175.53 1xlo s SER 7 N 1.58 1.27 0.30 3.32 0.01 -0.15 -0.79 113.70 119.23 1xlo s SER 7 Ca 0.00 1.48 -0.01 0.00 1.31 0.00 0.00 55.95 58.74 1xlo s SER 7 Cb -0.20 -2.24 0.49 0.00 0.21 0.00 0.00 66.02 64.28 1xlo s SER 7 CO 0.04 -4.02 1.95 -0.74 0.41 0.00 0.00 173.24 170.88 1xlo h HIS 8 N -2.50 1.02 -0.07 2.43 2.76 -1.81 -1.75 115.15 115.24 1xlo h HIS 8 Ca -0.60 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 57.56 1xlo h HIS 8 Cb 1.33 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.93 1xlo h HIS 8 CO 0.27 0.61 0.04 -0.40 -1.30 0.00 0.00 177.93 177.15 1xlo n ASP 9 N -4.44 3.15 0.00 3.26 3.85 -1.26 -4.82 116.55 116.29 1xlo n ASP 9 Ca 0.11 -2.12 0.00 0.00 -0.71 0.00 0.00 54.79 52.06 1xlo n ASP 9 Cb 0.09 -0.55 0.00 0.00 -1.35 0.00 0.00 41.12 39.31 1xlo n ASP 9 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xlo n GLY 10 N 0.43 0.70 3.68 6.12 0.00 -0.66 -4.95 105.19 110.52 1xlo n GLY 10 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1xlo n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xlo s THR 11 N -1.79 2.76 -0.17 2.61 2.01 -1.26 -4.70 115.64 115.10 1xlo s THR 11 Ca 0.00 0.10 -0.14 0.00 0.31 0.00 0.00 61.69 61.96 1xlo s THR 11 Cb 0.00 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1xlo s THR 11 CO 0.00 -0.00 0.31 -0.13 -0.69 0.00 0.00 174.62 174.11 1xlo s ARG 12 N 3.33 4.24 -0.28 4.92 0.52 -1.26 -0.98 118.95 129.44 1xlo s ARG 12 Ca 0.82 0.11 -0.01 0.00 -0.52 0.00 0.00 55.73 56.14 1xlo s ARG 12 Cb -0.44 -3.45 0.08 0.00 0.52 0.00 0.00 34.95 31.66 1xlo s ARG 12 CO 0.37 0.17 0.06 1.03 0.02 0.00 0.00 175.30 176.95 1xlo s ARG 13 N 0.67 0.91 -0.20 3.54 0.52 -0.28 -4.99 118.95 119.12 1xlo s ARG 13 Ca 0.17 -0.99 -0.15 0.00 -0.52 0.00 0.00 55.73 54.24 1xlo s ARG 13 Cb -0.13 -2.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 1xlo s ARG 13 CO 0.05 -0.85 0.37 -2.00 0.02 0.00 0.00 175.30 172.89 1xlo s GLU 14 N 1.57 4.17 -0.02 3.54 2.12 -1.26 -0.62 118.70 128.19 1xlo s GLU 14 Ca 0.05 0.15 0.05 0.00 0.36 0.00 0.00 54.97 55.59 1xlo s GLU 14 Cb -0.18 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.67 1xlo s GLU 14 CO -0.17 -0.02 -0.19 -0.51 -0.54 0.00 0.00 175.26 173.84 1xlo s LEU 15 N 1.24 2.00 -0.44 2.70 1.43 0.32 -4.98 118.68 120.96 1xlo s LEU 15 Ca 0.18 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 52.77 1xlo s LEU 15 Cb -0.15 -1.00 0.04 0.00 0.03 0.00 0.00 46.19 45.12 1xlo s LEU 15 CO 0.07 0.21 0.36 -0.62 0.23 0.00 0.00 176.35 176.61 1xlo s ASP 16 N -0.30 6.14 0.27 2.29 3.68 -1.26 -0.93 116.67 126.55 1xlo s ASP 16 Ca 0.04 -1.03 0.09 0.00 2.13 0.00 0.00 52.55 53.78 1xlo s ASP 16 Cb -0.09 -2.18 -0.04 0.00 -1.45 0.00 0.00 42.92 39.16 1xlo s ASP 16 CO 0.00 -0.56 0.03 0.68 0.13 0.00 0.00 175.17 175.46 1xlo s VAL 17 N 1.76 3.60 0.23 1.11 -7.23 0.06 -4.78 120.40 115.15 1xlo s VAL 17 Ca 0.06 -1.82 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 1xlo s VAL 17 Cb -0.21 -2.94 -0.09 0.00 0.56 0.00 0.00 36.38 33.70 1xlo s VAL 17 CO 0.09 -0.36 1.27 0.00 -0.31 0.00 0.00 175.10 175.79 1xlo s ALA 18 N -2.30 3.50 0.30 1.32 0.00 -1.26 -0.36 121.76 122.96 1xlo s ALA 18 Ca 0.32 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 1xlo s ALA 18 Cb -0.06 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 1xlo s ALA 18 CO 0.21 -0.49 1.48 -0.51 0.00 0.00 0.00 175.76 176.45 1xlo s ASP 19 N 0.05 6.52 0.00 0.00 1.01 -1.26 -2.34 116.67 120.64 1xlo s ASP 19 Ca 0.54 2.84 0.00 0.00 0.71 0.00 0.00 52.55 56.64 1xlo s ASP 19 Cb -0.36 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 40.93 1xlo s ASP 19 CO 0.41 -0.78 0.00 0.61 0.21 0.00 0.00 175.17 175.61 1xlo n GLY 20 N 1.64 1.57 3.76 0.21 0.00 0.26 -4.98 105.19 107.64 1xlo n GLY 20 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1xlo n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xlo s VAL 21 N -1.80 4.07 0.56 1.61 1.01 -0.99 -4.68 120.40 120.18 1xlo s VAL 21 Ca 0.00 2.01 -0.16 0.00 0.00 0.00 0.00 61.98 63.84 1xlo s VAL 21 Cb 0.00 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 1xlo s VAL 21 CO 0.00 0.43 1.02 -0.94 0.00 0.00 0.00 175.10 175.61 1xlo s SER 22 N -1.25 6.21 0.48 3.32 1.04 -1.26 -1.00 113.70 121.25 1xlo s SER 22 Ca 0.43 1.66 0.21 0.00 0.48 0.00 0.00 55.95 58.73 1xlo s SER 22 Cb -0.25 -2.51 1.23 0.00 0.10 0.00 0.00 66.02 64.59 1xlo s SER 22 CO 0.31 -0.87 2.03 -0.07 0.98 0.00 0.00 173.24 175.61 1xlo h LEU 23 N 0.57 0.00 0.03 2.42 3.38 -0.70 -1.56 115.31 119.45 1xlo h LEU 23 Ca -0.46 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 1xlo h LEU 23 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1xlo h LEU 23 CO 0.60 0.16 -0.01 -0.03 0.09 0.00 0.00 178.44 179.24 1xlo h MET 24 N 0.00 -0.04 -0.58 1.13 4.05 -1.73 -2.44 114.93 115.32 1xlo h MET 24 Ca -0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1xlo h MET 24 Cb 0.35 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 1xlo h MET 24 CO 0.02 0.29 0.36 0.37 0.23 0.00 0.00 176.91 178.18 1xlo h GLN 25 N -0.37 0.78 -0.94 0.39 5.75 -1.77 -0.63 115.11 118.33 1xlo h GLN 25 Ca -0.00 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1xlo h GLN 25 Cb 0.35 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.68 1xlo h GLN 25 CO 0.01 0.56 0.62 0.00 -2.65 0.00 0.00 178.83 177.36 1xlo h ALA 26 N 1.18 1.39 0.38 3.38 0.00 -1.31 -0.93 119.26 123.34 1xlo h ALA 26 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1xlo h ALA 26 Cb -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.42 1xlo h ALA 26 CO -0.04 0.53 -0.18 0.00 0.00 0.00 0.00 179.25 179.56 1xlo h ALA 27 N 1.45 -0.51 0.00 0.00 0.00 -0.87 -2.66 119.26 116.67 1xlo h ALA 27 Ca 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1xlo h ALA 27 Cb -0.02 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1xlo h ALA 27 CO -0.11 -0.58 -0.11 -0.39 0.00 0.00 0.00 179.25 178.06 1xlo h VAL 28 N -0.91 0.80 0.00 0.00 -1.51 -1.04 -0.88 116.25 112.71 1xlo h VAL 28 Ca -0.05 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1xlo h VAL 28 Cb 0.54 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1xlo h VAL 28 CO 0.09 0.10 -0.11 0.28 -1.23 0.00 0.00 177.57 176.69 1xlo h SER 29 N 0.00 0.00 -0.40 4.19 0.02 -1.19 -3.36 113.55 112.82 1xlo h SER 29 Ca -0.00 -0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.63 1xlo h SER 29 Cb 0.23 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.52 1xlo h SER 29 CO 0.01 0.01 -0.70 0.59 -1.14 0.00 0.00 176.83 175.61 1xlo n ASN 30 N -2.58 3.33 -0.91 3.07 3.02 -0.66 -4.98 115.26 115.55 1xlo n ASN 30 Ca 0.04 -3.72 -0.11 0.00 -0.03 0.00 0.00 54.58 50.77 1xlo n ASN 30 Cb 0.47 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 39.18 1xlo n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xlo n GLY 31 N -0.85 1.01 3.06 7.41 0.00 -1.15 -4.93 105.19 109.75 1xlo n GLY 31 Ca 0.31 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1xlo n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xlo n ILE 32 N -2.90 4.46 -0.21 -0.61 2.08 -0.43 -4.83 119.36 116.92 1xlo n ILE 32 Ca -0.11 -4.72 0.30 0.00 0.56 0.00 0.00 62.75 58.77 1xlo n ILE 32 Cb 0.40 -2.36 0.73 0.00 -0.75 0.00 0.00 39.64 37.66 1xlo n ILE 32 CO 0.00 0.00 0.00 0.10 0.56 0.00 0.00 176.55 177.21 1xlo h TYR 33 N 6.12 0.00 0.00 1.39 -0.00 -1.92 -2.07 116.97 120.50 1xlo h TYR 33 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.07 1xlo h TYR 33 Cb 0.70 -0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.43 1xlo h TYR 33 CO 1.16 0.00 0.00 -0.40 -0.00 0.00 0.00 178.16 178.92 1xlo n ASP 34 N -4.25 0.00 -4.13 0.10 5.75 -1.26 -4.29 116.55 108.46 1xlo n ASP 34 Ca 0.20 -0.36 -0.33 0.00 -0.01 0.00 0.00 54.79 54.29 1xlo n ASP 34 Cb 1.02 -0.08 -0.16 0.00 -1.03 0.00 0.00 41.12 40.87 1xlo n ASP 34 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1xlo s ILE 35 N -2.15 2.19 -0.20 2.12 1.01 -0.78 -4.76 121.20 118.63 1xlo s ILE 35 Ca 0.22 -0.96 -0.22 0.00 0.00 0.00 0.00 60.65 59.69 1xlo s ILE 35 Cb 0.11 -1.96 -0.20 0.00 0.01 0.00 0.00 42.46 40.42 1xlo s ILE 35 CO 0.20 0.48 0.28 0.58 0.00 0.00 0.00 174.94 176.48 1xlo h VAL 36 N 5.99 1.00 -5.36 2.92 2.07 -1.42 -3.42 116.25 118.03 1xlo h VAL 36 Ca -0.43 -2.20 -0.35 0.00 0.82 0.00 0.00 66.70 64.54 1xlo h VAL 36 Cb 1.13 2.35 0.13 0.00 -1.52 0.00 0.00 31.29 33.39 1xlo h VAL 36 CO 0.62 0.36 -0.63 0.61 0.02 0.00 0.00 177.57 178.55 1xlo n GLY 37 N 1.47 -0.38 0.24 2.17 0.00 -0.90 -4.92 105.19 102.87 1xlo n GLY 37 Ca -0.30 0.14 0.01 0.00 0.00 0.00 0.00 46.02 45.88 1xlo n GLY 37 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xlo h ASP 38 N -2.30 -0.28 0.64 1.61 -0.00 -1.95 -1.79 116.42 112.35 1xlo h ASP 38 Ca -0.52 0.16 0.00 0.00 -0.00 0.00 0.00 57.03 56.67 1xlo h ASP 38 Cb 1.33 0.28 0.00 0.00 -0.00 0.00 0.00 39.33 40.94 1xlo h ASP 38 CO 0.49 -0.12 0.00 0.00 -0.00 0.00 0.00 179.24 179.61 1xlo n GLY 40 N 0.70 0.75 0.25 0.00 0.00 -0.67 -4.35 105.19 101.87 1xlo n GLY 40 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1xlo n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xlo n GLY 41 N -2.19 1.72 1.10 -0.02 0.00 -1.26 -5.00 105.19 99.54 1xlo n GLY 41 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.99 1xlo n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xlo n SER 42 N 0.25 4.25 -3.68 1.61 3.41 -1.26 -4.89 113.62 113.31 1xlo n SER 42 Ca 0.00 -2.97 -0.21 0.00 -0.26 0.00 0.00 58.87 55.43 1xlo n SER 42 Cb 0.06 -0.57 0.04 0.00 -0.26 0.00 0.00 64.21 63.48 1xlo n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xlo n ALA 43 N -0.23 -2.04 -0.46 7.33 0.00 -1.26 -4.91 120.51 118.93 1xlo n ALA 43 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1xlo n ALA 43 Cb 0.94 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1xlo n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xlo n SER 44 N -3.05 0.92 0.00 0.00 7.64 -1.26 -4.89 113.62 112.98 1xlo n SER 44 Ca -0.29 -1.38 0.00 0.00 1.01 0.00 0.00 58.87 58.21 1xlo n SER 44 Cb 0.68 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1xlo n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xlo n ALA 46 N -0.68 -0.31 -1.01 0.00 0.00 -1.26 -4.90 120.51 112.34 1xlo n ALA 46 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 53.44 53.60 1xlo n ALA 46 Cb 0.07 -1.52 0.33 0.00 0.00 0.00 0.00 19.45 18.33 1xlo n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xlo n THR 47 N -3.46 2.77 -1.47 0.00 -2.24 -1.26 -4.03 114.28 104.59 1xlo n THR 47 Ca -0.14 -1.65 0.07 0.00 -2.27 0.00 0.00 64.05 60.05 1xlo n THR 47 Cb 0.54 -0.31 0.11 0.00 -2.10 0.00 0.00 70.33 68.57 1xlo n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xlo n HIS 49 N -0.93 2.44 -3.88 0.00 -0.00 -1.26 -1.51 115.22 110.09 1xlo n HIS 49 Ca 0.12 0.35 -0.09 0.00 -0.00 0.00 0.00 57.72 58.10 1xlo n HIS 49 Cb 0.70 -2.52 -0.07 0.00 -0.00 0.00 0.00 29.99 28.10 1xlo n HIS 49 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1xlo s VAL 50 N 0.02 0.09 -0.27 3.57 -7.23 -0.36 -4.37 120.40 111.86 1xlo s VAL 50 Ca 0.67 -1.21 -0.04 0.00 -1.81 0.00 0.00 61.98 59.58 1xlo s VAL 50 Cb -0.59 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 34.77 1xlo s VAL 50 CO 0.48 -0.42 0.01 -0.31 -0.31 0.00 0.00 175.10 174.55 1xlo s TYR 51 N -3.91 3.09 -0.01 2.82 4.12 0.53 -0.99 117.35 122.99 1xlo s TYR 51 Ca 0.11 -1.18 -0.30 0.00 0.02 0.00 0.00 57.07 55.72 1xlo s TYR 51 Cb 0.04 -2.16 -0.03 0.00 -1.52 0.00 0.00 41.96 38.29 1xlo s TYR 51 CO -0.05 -0.63 0.98 0.08 0.02 0.00 0.00 175.55 175.96 1xlo s VAL 52 N 1.43 4.86 0.19 0.71 1.01 -0.50 -0.48 120.40 127.62 1xlo s VAL 52 Ca 0.02 2.06 -0.32 0.00 0.00 0.00 0.00 61.98 63.74 1xlo s VAL 52 Cb -0.16 -4.32 -0.16 0.00 0.00 0.00 0.00 36.38 31.74 1xlo s VAL 52 CO -0.01 0.14 1.06 -3.20 0.00 0.00 0.00 175.10 173.09 1xlo n ASN 53 N 4.05 1.02 0.26 3.32 5.15 -0.04 -4.66 115.26 124.37 1xlo n ASN 53 Ca 0.06 1.15 0.18 0.00 -0.60 0.00 0.00 54.58 55.37 1xlo n ASN 53 Cb 0.51 -1.19 0.92 0.00 -0.53 0.00 0.00 39.78 39.48 1xlo n ASN 53 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1xlo h GLU 54 N 2.83 0.00 0.00 1.20 4.39 -1.94 0.57 114.58 121.63 1xlo h GLU 54 Ca -0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1xlo h GLU 54 Cb 1.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1xlo h GLU 54 CO 0.67 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.52 1xlo n ALA 55 N -2.21 2.44 0.02 3.43 0.00 -1.26 -3.64 120.51 119.28 1xlo n ALA 55 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1xlo n ALA 55 Cb 0.26 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 1xlo n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xlo n PHE 56 N -1.34 0.00 0.30 0.00 3.01 0.14 -4.65 117.46 114.92 1xlo n PHE 56 Ca 0.12 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.75 1xlo n PHE 56 Cb 0.26 -0.01 0.83 0.00 -0.01 0.00 0.00 39.48 40.56 1xlo n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1xlo h THR 57 N 0.00 0.06 0.00 4.37 1.35 -1.48 0.30 112.91 117.51 1xlo h THR 57 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1xlo h THR 57 Cb 0.03 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 1xlo h THR 57 CO 0.00 0.00 -1.29 -0.67 -0.25 0.00 0.00 175.52 173.31 1xlo n ASP 58 N -3.02 0.53 0.04 5.36 2.03 -1.26 -4.17 116.55 116.05 1xlo n ASP 58 Ca -0.01 -0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.27 1xlo n ASP 58 Cb 0.39 1.02 -0.09 0.00 -0.72 0.00 0.00 41.12 41.73 1xlo n ASP 58 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1xlo h LYS 59 N 0.00 0.00 -6.72 -0.67 1.57 -0.72 -3.46 116.57 106.57 1xlo h LYS 59 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1xlo h LYS 59 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1xlo h LYS 59 CO 0.00 0.48 0.39 0.08 -0.57 0.00 0.00 179.45 179.83 1xlo s VAL 60 N -2.81 4.01 0.28 0.50 1.01 -0.76 -4.91 120.40 117.71 1xlo s VAL 60 Ca -0.02 1.92 -0.30 0.00 0.00 0.00 0.00 61.98 63.58 1xlo s VAL 60 Cb 0.08 -4.22 -0.13 0.00 0.00 0.00 0.00 36.38 32.12 1xlo s VAL 60 CO 0.81 0.42 1.43 -2.65 0.00 0.00 0.00 175.10 175.11 1xlo n PRO 61 N 1.76 2.24 -1.69 2.72 -0.02 -1.26 -4.86 135.00 133.89 1xlo n PRO 61 Ca -0.01 0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 61.84 1xlo n PRO 61 Cb 0.47 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.47 1xlo n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xlo n ALA 62 N 1.60 1.23 -1.77 3.55 0.00 -1.26 -4.94 120.51 118.92 1xlo n ALA 62 Ca 0.09 0.37 -0.37 0.00 0.00 0.00 0.00 53.44 53.53 1xlo n ALA 62 Cb 0.34 -2.25 -0.00 0.00 0.00 0.00 0.00 19.45 17.54 1xlo n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xlo s ALA 63 N -0.94 2.91 0.60 0.00 0.00 -1.26 -5.05 121.76 118.02 1xlo s ALA 63 Ca 0.57 0.94 0.08 0.00 0.00 0.00 0.00 51.96 53.56 1xlo s ALA 63 Cb -0.58 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.24 1xlo s ALA 63 CO 0.60 -0.73 0.82 0.54 0.00 0.00 0.00 175.76 177.00 1xlo s ASN 64 N -1.41 4.97 0.22 0.00 2.20 -1.26 -4.90 114.94 114.77 1xlo s ASN 64 Ca 0.66 -0.76 -0.10 0.00 -0.94 0.00 0.00 52.86 51.72 1xlo s ASN 64 Cb -0.29 0.24 0.32 0.00 -2.00 0.00 0.00 41.25 39.52 1xlo s ASN 64 CO 0.34 -1.43 1.67 -0.08 -2.94 0.00 0.00 177.10 174.66 1xlo h GLU 65 N 0.06 0.13 -0.08 3.55 4.57 -1.99 -2.06 114.58 118.77 1xlo h GLU 65 Ca -0.31 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 57.90 1xlo h GLU 65 Cb 1.28 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.79 1xlo h GLU 65 CO 0.41 0.09 -0.26 -0.09 -1.18 0.00 0.00 179.01 177.98 1xlo h ARG 66 N 0.14 -0.34 0.15 1.92 9.65 -1.98 0.45 114.38 124.37 1xlo h ARG 66 Ca 0.33 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.24 1xlo h ARG 66 Cb 0.55 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 1xlo h ARG 66 CO -0.53 -0.23 -0.12 1.49 2.80 0.00 0.00 179.97 183.39 1xlo h GLU 67 N -0.35 -0.26 -0.56 0.20 4.81 -1.80 -1.48 114.58 115.14 1xlo h GLU 67 Ca 0.09 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 1xlo h GLU 67 Cb 0.48 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 1xlo h GLU 67 CO -0.28 -0.18 0.23 0.82 -0.73 0.00 0.00 179.01 178.87 1xlo h ILE 68 N -0.27 0.83 -0.38 2.32 1.08 -1.11 -0.03 117.51 119.94 1xlo h ILE 68 Ca -0.00 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1xlo h ILE 68 Cb 0.25 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.35 1xlo h ILE 68 CO -0.01 0.08 0.25 1.23 -0.69 0.00 0.00 178.15 179.00 1xlo h GLY 69 N 0.43 0.54 1.19 5.37 0.00 -0.68 -2.54 103.07 107.37 1xlo h GLY 69 Ca 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1xlo h GLY 69 CO -0.25 0.20 0.37 -0.33 0.00 0.00 0.00 176.54 176.53 1xlo h MET 70 N 0.51 1.05 0.00 4.80 2.86 -0.63 -2.56 114.93 120.95 1xlo h MET 70 Ca 0.14 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xlo h MET 70 Cb -0.05 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.42 1xlo h MET 70 CO -0.03 0.80 -0.00 -0.07 1.06 0.00 0.00 176.91 178.66 1xlo h LEU 71 N 1.05 0.00 -1.01 1.22 3.38 -0.59 -0.78 115.31 118.57 1xlo h LEU 71 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1xlo h LEU 71 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xlo h LEU 71 CO -0.04 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.88 1xlo n GLU 72 N -3.86 0.11 -0.15 1.13 -0.58 -0.97 -1.84 120.64 114.48 1xlo n GLU 72 Ca -0.03 0.57 0.09 0.00 -0.42 0.00 0.00 57.16 57.37 1xlo n GLU 72 Cb 0.09 -1.84 0.17 0.00 -0.57 0.00 0.00 31.44 29.28 1xlo n GLU 72 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1xlo n SER 73 N -2.07 3.00 -4.69 1.62 3.41 -0.30 -5.01 113.62 109.58 1xlo n SER 73 Ca -0.01 -1.88 -0.40 0.00 -0.26 0.00 0.00 58.87 56.33 1xlo n SER 73 Cb 0.05 -0.20 0.03 0.00 -0.26 0.00 0.00 64.21 63.83 1xlo n SER 73 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1xlo n VAL 74 N 1.03 3.18 0.05 -3.33 0.24 -0.77 -4.91 118.33 113.82 1xlo n VAL 74 Ca 0.15 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.34 61.91 1xlo n VAL 74 Cb 0.48 -1.49 -0.08 0.00 -1.47 0.00 0.00 33.84 31.28 1xlo n VAL 74 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1xlo h THR 75 N 1.53 0.94 -3.49 3.34 1.35 -1.85 -3.46 112.91 111.27 1xlo h THR 75 Ca -0.49 -2.54 -0.45 0.00 -0.55 0.00 0.00 66.41 62.38 1xlo h THR 75 Cb 1.31 2.40 0.15 0.00 -1.73 0.00 0.00 68.15 70.28 1xlo h THR 75 CO 0.57 0.53 0.35 0.00 -0.25 0.00 0.00 175.52 176.72 1xlo s ALA 76 N -2.80 2.58 0.24 6.62 0.00 -1.26 -4.97 121.76 122.17 1xlo s ALA 76 Ca -0.01 -1.39 -0.30 0.00 0.00 0.00 0.00 51.96 50.26 1xlo s ALA 76 Cb 0.09 -2.56 -0.11 0.00 0.00 0.00 0.00 23.12 20.54 1xlo s ALA 76 CO 0.80 -2.26 1.52 -2.00 0.00 0.00 0.00 175.76 173.83 1xlo s GLU 77 N -5.73 4.21 -0.25 0.00 2.12 -1.26 -4.96 118.70 112.83 1xlo s GLU 77 Ca 0.73 2.41 -0.23 0.00 0.36 0.00 0.00 54.97 58.24 1xlo s GLU 77 Cb -0.04 -3.09 -0.01 0.00 0.26 0.00 0.00 34.13 31.25 1xlo s GLU 77 CO 0.51 -0.53 0.77 -1.17 -0.54 0.00 0.00 175.26 174.30 1xlo s LEU 78 N -0.04 4.07 0.34 2.70 2.96 -1.26 -5.03 118.68 122.42 1xlo s LEU 78 Ca 0.63 0.92 0.09 0.00 -0.22 0.00 0.00 54.13 55.55 1xlo s LEU 78 Cb -0.44 -3.08 -0.06 0.00 0.50 0.00 0.00 46.19 43.11 1xlo s LEU 78 CO 0.42 -0.48 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.41 1xlo s LYS 79 N 2.75 2.01 0.41 1.98 1.02 -1.26 -5.02 119.74 121.63 1xlo s LYS 79 Ca 0.32 -1.78 0.16 0.00 0.02 0.00 0.00 55.97 54.69 1xlo s LYS 79 Cb -0.15 -1.88 1.03 0.00 -0.52 0.00 0.00 37.83 36.31 1xlo s LYS 79 CO 0.08 0.15 1.87 -1.35 -0.92 0.00 0.00 175.35 175.18 1xlo h PRO 80 N 1.87 0.44 -0.62 -1.68 0.11 -2.02 -0.74 132.00 129.37 1xlo h PRO 80 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xlo h PRO 80 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xlo h PRO 80 CO 0.67 0.29 0.00 0.27 -0.21 0.00 0.00 178.00 179.03 1xlo n ASN 81 N -4.52 3.69 -4.77 -2.05 6.94 -1.26 -4.95 115.26 108.34 1xlo n ASN 81 Ca 0.18 -2.31 -0.41 0.00 -0.02 0.00 0.00 54.58 52.03 1xlo n ASN 81 Cb 0.63 -0.49 -0.02 0.00 -2.36 0.00 0.00 39.78 37.53 1xlo n ASN 81 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1xlo s SER 82 N -0.82 6.83 0.07 0.53 0.01 -0.29 -1.41 113.70 118.63 1xlo s SER 82 Ca 0.39 2.64 -0.15 0.00 1.31 0.00 0.00 55.95 60.14 1xlo s SER 82 Cb 0.25 -2.65 0.03 0.00 0.21 0.00 0.00 66.02 63.86 1xlo s SER 82 CO 0.19 -0.49 0.34 -0.13 0.41 0.00 0.00 173.24 173.57 1xlo s ARG 83 N -1.73 0.91 -0.41 12.44 1.81 -0.16 -4.92 118.95 126.89 1xlo s ARG 83 Ca 0.48 -0.56 -0.21 0.00 -1.72 0.00 0.00 55.73 53.72 1xlo s ARG 83 Cb -0.39 0.39 0.02 0.00 -0.45 0.00 0.00 34.95 34.52 1xlo s ARG 83 CO 0.51 -0.31 0.68 -0.51 -0.68 0.00 0.00 175.30 174.99 1xlo s LEU 84 N -2.31 4.35 0.63 2.53 1.43 -1.26 -1.22 118.68 122.83 1xlo s LEU 84 Ca -0.02 -0.09 0.35 0.00 -1.03 0.00 0.00 54.13 53.34 1xlo s LEU 84 Cb 0.00 -2.81 1.94 0.00 0.03 0.00 0.00 46.19 45.36 1xlo s LEU 84 CO -0.06 -0.74 2.18 0.77 0.23 0.00 0.00 176.35 178.73 1xlo h SER 85 N 8.73 0.00 0.86 2.29 4.64 -1.60 0.40 113.55 128.86 1xlo h SER 85 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1xlo h SER 85 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1xlo h SER 85 CO 0.89 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.85 1xlo n GLN 87 N -1.83 2.38 -3.70 0.00 1.13 0.13 -4.81 117.38 110.68 1xlo n GLN 87 Ca 0.04 -2.04 -0.39 0.00 -1.94 0.00 0.00 57.00 52.68 1xlo n GLN 87 Cb 0.27 -1.48 -0.12 0.00 0.11 0.00 0.00 30.24 29.02 1xlo n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xlo s ILE 88 N -1.78 4.15 -0.20 5.09 1.01 -1.02 -5.00 121.20 123.45 1xlo s ILE 88 Ca 0.33 -0.88 -0.16 0.00 0.00 0.00 0.00 60.65 59.95 1xlo s ILE 88 Cb 0.21 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1xlo s ILE 88 CO 0.31 -0.11 0.39 -0.63 0.00 0.00 0.00 174.94 174.89 1xlo s ILE 89 N 1.49 5.20 0.27 2.92 -1.09 -1.26 -1.20 121.20 127.53 1xlo s ILE 89 Ca 0.01 0.68 -0.30 0.00 -2.23 0.00 0.00 60.65 58.81 1xlo s ILE 89 Cb -0.19 -3.72 -0.10 0.00 -1.58 0.00 0.00 42.46 36.87 1xlo s ILE 89 CO 0.04 0.25 1.45 -0.32 -1.23 0.00 0.00 174.94 175.14 1xlo s MET 90 N 1.32 4.25 0.20 2.79 -2.45 -0.17 -4.83 119.30 120.41 1xlo s MET 90 Ca 0.18 2.34 -0.11 0.00 -1.25 0.00 0.00 55.69 56.86 1xlo s MET 90 Cb -0.15 -3.09 -0.00 0.00 1.25 0.00 0.00 34.83 32.84 1xlo s MET 90 CO 0.08 -0.44 0.39 0.95 1.05 0.00 0.00 175.02 177.05 1xlo s THR 91 N -0.13 0.03 0.39 10.11 -4.23 -1.26 -0.58 115.64 119.98 1xlo s THR 91 Ca 0.59 -1.35 0.11 0.00 -1.18 0.00 0.00 61.69 59.86 1xlo s THR 91 Cb -0.43 -2.00 0.33 0.00 1.34 0.00 0.00 72.50 71.74 1xlo s THR 91 CO 0.45 -0.13 1.93 -0.65 -0.54 0.00 0.00 174.62 175.68 1xlo h PRO 92 N 2.38 0.55 0.00 3.99 0.11 -1.99 -0.44 132.00 136.60 1xlo h PRO 92 Ca -0.29 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1xlo h PRO 92 Cb 1.24 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xlo h PRO 92 CO 0.42 0.37 -0.06 1.49 -0.21 0.00 0.00 178.00 180.00 1xlo h GLU 93 N 0.57 0.00 -0.46 1.05 4.57 -1.97 -1.37 114.58 116.96 1xlo h GLU 93 Ca 0.36 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 1xlo h GLU 93 Cb 0.62 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1xlo h GLU 93 CO -0.13 0.06 0.00 1.28 -1.18 0.00 0.00 179.01 179.04 1xlo n LEU 94 N -3.57 3.33 -4.67 1.64 4.77 -0.19 -4.97 117.00 113.34 1xlo n LEU 94 Ca -0.02 -1.51 -0.49 0.00 -0.03 0.00 0.00 56.01 53.96 1xlo n LEU 94 Cb 0.18 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1xlo n LEU 94 CO 0.28 0.76 1.33 -0.67 -1.33 0.00 0.00 177.39 177.76 1xlo n ASP 95 N 1.37 3.08 0.00 -1.43 4.64 -0.52 -0.70 116.55 122.99 1xlo n ASP 95 Ca 0.20 1.03 0.00 0.00 -1.38 0.00 0.00 54.79 54.64 1xlo n ASP 95 Cb 0.57 -1.35 0.00 0.00 -1.04 0.00 0.00 41.12 39.30 1xlo n ASP 95 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xlo n GLY 96 N 3.93 0.75 3.75 0.27 0.00 0.21 -4.88 105.19 109.21 1xlo n GLY 96 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1xlo n GLY 96 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xlo n ILE 97 N -2.19 1.46 -4.90 -0.61 3.06 0.13 -4.72 119.36 111.58 1xlo n ILE 97 Ca 0.00 -0.36 -0.33 0.00 -2.50 0.00 0.00 62.75 59.56 1xlo n ILE 97 Cb 0.00 -1.90 -0.15 0.00 0.54 0.00 0.00 39.64 38.13 1xlo n ILE 97 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1xlo s VAL 98 N -0.51 2.84 -0.05 9.51 1.01 -1.26 -0.98 120.40 130.96 1xlo s VAL 98 Ca 0.60 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1xlo s VAL 98 Cb -0.51 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 33.73 1xlo s VAL 98 CO 0.55 0.55 -0.11 0.68 0.00 0.00 0.00 175.10 176.77 1xlo s VAL 99 N 0.06 1.02 -0.15 2.92 -7.23 -0.40 -0.86 120.40 115.77 1xlo s VAL 99 Ca -0.06 -0.45 -0.14 0.00 -1.81 0.00 0.00 61.98 59.52 1xlo s VAL 99 Cb -0.15 -0.93 -0.05 0.00 0.56 0.00 0.00 36.38 35.82 1xlo s VAL 99 CO 0.05 0.32 0.30 -1.81 -0.31 0.00 0.00 175.10 173.65 1xlo s ASP 100 N 0.47 6.47 -0.16 4.85 1.01 0.37 -1.01 116.67 128.67 1xlo s ASP 100 Ca -0.10 0.55 -0.13 0.00 0.71 0.00 0.00 52.55 53.58 1xlo s ASP 100 Cb -0.13 -2.19 -0.05 0.00 1.01 0.00 0.00 42.92 41.56 1xlo s ASP 100 CO 0.02 0.12 0.28 -0.69 0.21 0.00 0.00 175.17 175.11 1xlo s VAL 101 N 0.31 5.32 1.03 -1.27 1.01 0.03 -0.35 120.40 126.48 1xlo s VAL 101 Ca 0.17 0.51 -0.12 0.00 0.00 0.00 0.00 61.98 62.55 1xlo s VAL 101 Cb -0.13 -3.61 0.21 0.00 0.00 0.00 0.00 36.38 32.84 1xlo s VAL 101 CO 0.05 0.40 1.08 -2.16 0.00 0.00 0.00 175.10 174.46 1xlo s PRO 102 N 0.44 0.11 0.00 2.72 0.04 -1.26 -3.16 135.00 133.90 1xlo s PRO 102 Ca 0.16 1.09 0.23 0.00 0.04 0.00 0.00 61.00 62.51 1xlo s PRO 102 Cb -0.13 -1.66 1.01 0.00 0.04 0.00 0.00 34.50 33.77 1xlo s PRO 102 CO 0.03 -3.10 1.74 -0.40 0.04 0.00 0.00 177.00 175.31 1xlo n ASP 103 N -4.51 0.00 -3.66 6.66 5.75 -1.26 -4.65 116.55 114.88 1xlo n ASP 103 Ca 0.07 0.40 -0.15 0.00 -0.01 0.00 0.00 54.79 55.10 1xlo n ASP 103 Cb 0.54 -0.46 -0.07 0.00 -1.03 0.00 0.00 41.12 40.09 1xlo n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xlo s ARG 104 N -2.92 0.85 -0.00 0.11 1.70 -1.26 -5.03 118.95 112.41 1xlo s ARG 104 Ca 0.13 -0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.34 1xlo s ARG 104 Cb 0.15 0.39 -0.00 0.00 -0.57 0.00 0.00 34.95 34.92 1xlo s ARG 104 CO 0.40 -0.26 0.00 1.04 -1.08 0.00 0.00 175.30 175.41 1xlo n GLN 105 N 1.01 2.82 0.00 3.89 1.13 -1.26 -4.16 117.38 120.81 1xlo n GLN 105 Ca -0.20 -0.00 0.12 0.00 -1.94 0.00 0.00 57.00 54.97 1xlo n GLN 105 Cb 0.57 -1.00 0.10 0.00 0.11 0.00 0.00 30.24 30.01 1xlo n GLN 105 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53