#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s62 n GLU 2 N 0.00 0.00 -1.27 0.00 0.00 -1.26 -5.00 120.64 113.12 1s62 n GLU 2 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 1s62 n GLU 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.40 1s62 n GLU 2 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1s62 n PHE 3 N -0.67 0.00 -0.86 4.31 3.72 -1.26 -2.31 117.46 120.38 1s62 n PHE 3 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1s62 n PHE 3 Cb 0.00 -2.41 0.00 0.00 -0.94 0.00 0.00 39.48 36.13 1s62 n PHE 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1s62 n GLY 4 N -0.15 0.31 4.84 1.37 0.00 -1.26 -1.24 105.19 109.06 1s62 n GLY 4 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1s62 n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s62 n ASN 5 N -0.31 0.00 -0.54 1.61 5.15 -0.98 -4.27 115.26 115.93 1s62 n ASN 5 Ca 0.00 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.11 1s62 n ASN 5 Cb 0.15 0.00 0.40 0.00 -0.53 0.00 0.00 39.78 39.80 1s62 n ASN 5 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1s62 n THR 6 N 0.00 0.00 0.00 -0.44 -2.24 -1.25 -4.96 114.28 105.38 1s62 n THR 6 Ca 0.00 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1s62 n THR 6 Cb 0.00 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1s62 n THR 6 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1s62 n LYS 7 N 0.26 0.00 0.05 -0.78 4.81 -0.37 -3.02 118.16 119.12 1s62 n LYS 7 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1s62 n LYS 7 Cb 0.41 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.46 1s62 n LYS 7 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1s62 n ASN 8 N 2.29 -0.71 0.00 3.14 6.94 -1.26 -4.75 115.26 120.92 1s62 n ASN 8 Ca 0.00 0.18 0.00 0.00 -0.02 0.00 0.00 54.58 54.74 1s62 n ASN 8 Cb 0.00 0.96 0.00 0.00 -2.36 0.00 0.00 39.78 38.38 1s62 n ASN 8 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1s62 n ASN 9 N -2.71 0.00 -2.59 0.53 5.15 -1.17 -4.67 115.26 109.80 1s62 n ASN 9 Ca 0.00 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.93 1s62 n ASN 9 Cb 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.27 1s62 n ASN 9 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1s62 n GLY 10 N 0.00 -0.66 3.10 8.20 0.00 -1.26 -5.01 105.19 109.56 1s62 n GLY 10 Ca 0.00 0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 1s62 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s62 s ALA 11 N -3.14 2.87 -0.11 4.61 0.00 -1.26 -4.90 121.76 119.82 1s62 s ALA 11 Ca 0.16 -2.14 0.22 0.00 0.00 0.00 0.00 51.96 50.20 1s62 s ALA 11 Cb -0.02 -1.99 -0.21 0.00 0.00 0.00 0.00 23.12 20.90 1s62 s ALA 11 CO 0.49 -1.48 0.66 0.43 0.00 0.00 0.00 175.76 175.86 1s62 n SER 12 N 4.48 0.33 -2.69 0.00 7.64 -1.26 -5.00 113.62 117.13 1s62 n SER 12 Ca -0.06 0.13 -0.13 0.00 1.01 0.00 0.00 58.87 59.82 1s62 n SER 12 Cb 0.42 1.32 0.06 0.00 -1.01 0.00 0.00 64.21 65.01 1s62 n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s62 n GLY 13 N 1.27 -0.11 2.99 0.23 0.00 -1.26 -4.77 105.19 103.54 1s62 n GLY 13 Ca -0.05 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1s62 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s62 n ALA 14 N -3.33 3.77 0.00 4.61 0.00 -1.26 -2.12 120.51 122.18 1s62 n ALA 14 Ca -0.17 -3.24 0.00 0.00 0.00 0.00 0.00 53.44 50.03 1s62 n ALA 14 Cb 0.61 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.50 1s62 n ALA 14 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1s62 n ASP 15 N 6.92 0.00 0.04 0.00 2.03 -1.26 -4.94 116.55 119.34 1s62 n ASP 15 Ca 0.50 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.58 1s62 n ASP 15 Cb 0.37 0.29 -0.14 0.00 -0.72 0.00 0.00 41.12 40.92 1s62 n ASP 15 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1s62 h ILE 16 N 0.00 0.85 0.00 5.18 2.04 -1.84 -3.37 117.51 120.37 1s62 h ILE 16 Ca 0.00 -2.44 -0.00 0.00 1.00 0.00 0.00 64.86 63.42 1s62 h ILE 16 Cb 0.00 2.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1s62 h ILE 16 CO 0.00 0.84 -0.02 -0.55 0.00 0.00 0.00 178.15 178.43 1s62 h ASN 17 N 0.02 0.00 0.19 1.72 -1.07 -1.73 -1.30 115.58 113.41 1s62 h ASN 17 Ca -0.36 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.00 1s62 h ASN 17 Cb 2.02 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.27 1s62 h ASN 17 CO 0.13 0.02 -0.09 -1.13 0.07 0.00 0.00 177.43 176.42 1s62 h ASN 18 N 0.00 -0.22 -0.56 6.14 -0.73 -1.81 0.21 115.58 118.62 1s62 h ASN 18 Ca -0.00 -0.19 -0.06 0.00 1.87 0.00 0.00 56.30 57.92 1s62 h ASN 18 Cb 0.04 0.06 -0.03 0.00 0.27 0.00 0.00 38.32 38.66 1s62 h ASN 18 CO 0.00 0.08 0.15 0.10 -0.37 0.00 0.00 177.43 177.39 1s62 h TYR 19 N -0.52 0.97 -0.73 0.67 -0.00 -1.65 -2.76 116.97 112.95 1s62 h TYR 19 Ca -0.03 -0.10 -0.06 0.00 -0.00 0.00 0.00 58.73 58.54 1s62 h TYR 19 Cb 0.39 -0.28 -0.03 0.00 -0.00 0.00 0.00 36.73 36.81 1s62 h TYR 19 CO 0.01 0.80 0.20 0.00 -0.00 0.00 0.00 178.16 179.18 1s62 h ALA 20 N 1.26 0.98 -0.27 0.10 0.00 -1.13 -2.76 119.26 117.44 1s62 h ALA 20 Ca 0.19 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1s62 h ALA 20 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1s62 h ALA 20 CO -0.00 0.67 -0.01 0.78 0.00 0.00 0.00 179.25 180.68 1s62 h GLY 21 N 1.10 0.44 1.21 0.00 0.00 -0.67 -2.76 103.07 102.40 1s62 h GLY 21 Ca 0.23 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 1s62 h GLY 21 CO -0.00 0.23 -0.11 1.46 0.00 0.00 0.00 176.54 178.12 1s62 h GLN 22 N 0.40 0.93 -0.51 4.80 4.20 -1.31 -2.86 115.11 120.76 1s62 h GLN 22 Ca 0.09 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 1s62 h GLN 22 Cb 0.29 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1s62 h GLN 22 CO 0.01 0.99 0.19 0.82 -0.67 0.00 0.00 178.83 180.17 1s62 h ILE 23 N 0.83 1.19 -0.06 2.54 2.04 -1.40 -0.89 117.51 121.77 1s62 h ILE 23 Ca 0.13 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1s62 h ILE 23 Cb 0.64 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1s62 h ILE 23 CO 0.04 0.24 -0.03 0.11 0.00 0.00 0.00 178.15 178.52 1s62 h LYS 24 N 0.73 -0.02 0.01 2.37 1.79 -1.39 -1.78 116.57 118.28 1s62 h LYS 24 Ca 0.17 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.44 1s62 h LYS 24 Cb 0.17 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1s62 h LYS 24 CO -0.01 -0.01 -0.90 0.77 -1.08 0.00 0.00 179.45 178.21 1s62 h SER 25 N -0.02 0.25 -0.25 0.86 0.02 -1.52 -2.64 113.55 110.25 1s62 h SER 25 Ca 0.03 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1s62 h SER 25 Cb 0.07 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1s62 h SER 25 CO -0.08 1.03 0.13 0.00 -1.14 0.00 0.00 176.83 176.77 1s62 h ALA 26 N 0.95 0.30 -0.02 3.77 0.00 -0.96 -2.12 119.26 121.18 1s62 h ALA 26 Ca -0.05 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1s62 h ALA 26 Cb 1.55 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1s62 h ALA 26 CO 0.14 -0.27 -0.72 0.82 0.00 0.00 0.00 179.25 179.22 1s62 h ILE 27 N 0.27 1.47 0.00 0.00 2.04 -1.40 -3.12 117.51 116.77 1s62 h ILE 27 Ca 0.10 -2.34 -0.03 0.00 1.00 0.00 0.00 64.86 63.60 1s62 h ILE 27 Cb 0.03 2.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1s62 h ILE 27 CO -0.07 0.68 -0.12 -0.33 0.00 0.00 0.00 178.15 178.30 1s62 h GLU 28 N 0.07 0.00 0.00 2.37 4.39 -1.07 -0.52 114.58 119.82 1s62 h GLU 28 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1s62 h GLU 28 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1s62 h GLU 28 CO 0.10 0.12 0.00 -1.13 -1.16 0.00 0.00 179.01 176.95 1s62 n SER 29 N -4.30 0.00 -1.90 1.42 3.41 -0.84 -3.39 113.62 108.02 1s62 n SER 29 Ca -0.03 0.29 -0.06 0.00 -0.26 0.00 0.00 58.87 58.81 1s62 n SER 29 Cb 0.20 -0.43 0.07 0.00 -0.26 0.00 0.00 64.21 63.79 1s62 n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s62 n LYS 30 N -1.43 2.03 -2.31 4.33 4.01 -0.25 -5.07 118.16 119.48 1s62 n LYS 30 Ca 0.09 -3.43 -0.42 0.00 -0.51 0.00 0.00 58.31 54.04 1s62 n LYS 30 Cb 0.29 -1.56 -0.03 0.00 -0.51 0.00 0.00 35.03 33.23 1s62 n LYS 30 CO 0.00 0.00 0.00 -0.59 -1.11 0.00 0.00 177.40 175.70 1s62 s PHE 31 N -2.97 2.85 0.00 2.13 -0.71 -0.90 -4.57 117.98 113.81 1s62 s PHE 31 Ca 0.38 0.90 0.00 0.00 -1.04 0.00 0.00 56.93 57.17 1s62 s PHE 31 Cb 0.37 -3.59 0.00 0.00 -1.21 0.00 0.00 43.02 38.59 1s62 s PHE 31 CO -0.04 -2.14 0.18 0.98 -1.34 0.00 0.00 175.22 172.86 1s62 n TYR 32 N 5.78 0.00 -1.80 3.49 4.19 -1.26 -4.58 117.16 122.97 1s62 n TYR 32 Ca 0.13 0.00 0.05 0.00 3.31 0.00 0.00 57.90 61.39 1s62 n TYR 32 Cb 0.44 -0.15 0.11 0.00 0.49 0.00 0.00 39.34 40.24 1s62 n TYR 32 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 1s62 n ASP 33 N -0.94 1.37 0.15 2.98 8.00 -1.26 -4.86 116.55 122.00 1s62 n ASP 33 Ca 0.00 -2.91 -0.11 0.00 0.71 0.00 0.00 54.79 52.48 1s62 n ASP 33 Cb 0.00 -0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 40.64 1s62 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s62 h ALA 34 N 0.63 -0.43 0.00 2.24 0.00 -1.92 -0.55 119.26 119.24 1s62 h ALA 34 Ca -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1s62 h ALA 34 Cb 1.31 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1s62 h ALA 34 CO 0.03 -0.49 0.00 0.77 0.00 0.00 0.00 179.25 179.55 1s62 h SER 35 N -0.93 0.00 0.18 0.00 0.02 -1.89 -3.01 113.55 107.92 1s62 h SER 35 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1s62 h SER 35 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1s62 h SER 35 CO 0.07 0.00 -1.01 -1.20 -1.14 0.00 0.00 176.83 173.55 1s62 n SER 36 N -2.57 0.73 -1.81 3.07 7.64 -1.17 -4.43 113.62 115.08 1s62 n SER 36 Ca 0.01 -0.61 -0.09 0.00 1.01 0.00 0.00 58.87 59.19 1s62 n SER 36 Cb 0.24 0.92 -0.04 0.00 -1.01 0.00 0.00 64.21 64.32 1s62 n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s62 n TYR 37 N -1.67 0.50 -0.86 1.43 4.19 -0.22 -4.82 117.16 115.70 1s62 n TYR 37 Ca 0.03 -1.43 -0.36 0.00 3.31 0.00 0.00 57.90 59.45 1s62 n TYR 37 Cb 0.38 -0.96 -0.06 0.00 0.49 0.00 0.00 39.34 39.19 1s62 n TYR 37 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1s62 n ALA 38 N 1.43 2.91 -0.76 2.98 0.00 -1.26 -2.19 120.51 123.61 1s62 n ALA 38 Ca 0.22 -2.69 0.00 0.00 0.00 0.00 0.00 53.44 50.97 1s62 n ALA 38 Cb 0.62 -3.45 0.00 0.00 0.00 0.00 0.00 19.45 16.62 1s62 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s62 n GLY 39 N 4.44 0.38 3.16 0.00 0.00 -1.26 -5.13 105.19 106.77 1s62 n GLY 39 Ca 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 1s62 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s62 s LYS 40 N 0.00 0.89 0.27 1.61 -0.14 -0.93 -5.14 119.74 116.30 1s62 s LYS 40 Ca 0.00 -1.40 0.09 0.00 -1.36 0.00 0.00 55.97 53.30 1s62 s LYS 40 Cb 0.00 0.10 -0.05 0.00 -1.68 0.00 0.00 37.83 36.19 1s62 s LYS 40 CO 0.00 -0.18 -0.12 0.99 -0.76 0.00 0.00 175.35 175.27 1s62 s THR 41 N -3.91 1.99 -0.29 2.17 2.01 -1.26 -4.57 115.64 111.78 1s62 s THR 41 Ca 0.19 -2.24 0.01 0.00 0.31 0.00 0.00 61.69 59.96 1s62 s THR 41 Cb 0.07 -2.34 0.19 0.00 0.01 0.00 0.00 72.50 70.42 1s62 s THR 41 CO -0.01 -0.38 0.57 0.00 -0.69 0.00 0.00 174.62 174.10 1s62 s THR 43 N 2.80 4.85 -0.09 0.00 2.01 0.22 -0.42 115.64 125.00 1s62 s THR 43 Ca 0.17 1.36 0.02 0.00 0.31 0.00 0.00 61.69 63.55 1s62 s THR 43 Cb -0.14 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.40 1s62 s THR 43 CO -0.22 0.41 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.22 1s62 s LEU 44 N -0.18 1.63 -0.79 4.42 1.43 0.11 0.29 118.68 125.59 1s62 s LEU 44 Ca 0.33 -0.36 -0.26 0.00 -1.03 0.00 0.00 54.13 52.81 1s62 s LEU 44 Cb -0.19 -0.96 0.04 0.00 0.03 0.00 0.00 46.19 45.10 1s62 s LEU 44 CO 0.19 0.01 1.29 -0.60 0.23 0.00 0.00 176.35 177.47 1s62 s ARG 45 N 0.93 3.27 0.06 1.70 3.52 0.21 -1.70 118.95 126.95 1s62 s ARG 45 Ca -0.09 -0.47 0.03 0.00 -0.13 0.00 0.00 55.73 55.07 1s62 s ARG 45 Cb -0.15 -4.42 -0.04 0.00 -1.56 0.00 0.00 34.95 28.78 1s62 s ARG 45 CO 0.00 -2.14 0.06 0.96 -0.81 0.00 0.00 175.30 173.38 1s62 s ILE 46 N 5.45 4.47 -0.23 4.11 -4.36 -1.26 -0.56 121.20 128.82 1s62 s ILE 46 Ca 0.36 -0.74 0.00 0.00 -0.26 0.00 0.00 60.65 60.02 1s62 s ILE 46 Cb -0.07 -3.13 0.06 0.00 1.25 0.00 0.00 42.46 40.58 1s62 s ILE 46 CO 0.10 0.17 -0.03 -0.54 0.24 0.00 0.00 174.94 174.87 1s62 s LYS 47 N -2.24 1.44 0.15 0.37 1.02 0.98 -2.70 119.74 118.76 1s62 s LYS 47 Ca 0.27 -0.93 -0.05 0.00 0.02 0.00 0.00 55.97 55.29 1s62 s LYS 47 Cb -0.12 -2.51 -0.06 0.00 -0.52 0.00 0.00 37.83 34.62 1s62 s LYS 47 CO 0.20 -0.63 0.38 -0.51 -0.92 0.00 0.00 175.35 173.87 1s62 s LEU 48 N 1.46 4.26 0.28 3.17 1.43 -0.65 -1.89 118.68 126.74 1s62 s LEU 48 Ca -0.04 0.59 0.09 0.00 -1.03 0.00 0.00 54.13 53.74 1s62 s LEU 48 Cb -0.19 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 1s62 s LEU 48 CO -0.07 0.04 0.06 0.00 0.23 0.00 0.00 176.35 176.61 1s62 s ALA 49 N -1.67 3.30 0.18 4.21 0.00 -0.25 -4.56 121.76 122.97 1s62 s ALA 49 Ca 0.41 -1.65 0.32 0.00 0.00 0.00 0.00 51.96 51.04 1s62 s ALA 49 Cb -0.12 -0.85 1.73 0.00 0.00 0.00 0.00 23.12 23.88 1s62 s ALA 49 CO 0.25 0.22 1.98 -1.00 0.00 0.00 0.00 175.76 177.20 1s62 h PRO 50 N 1.75 0.00 -0.01 0.00 0.13 -1.99 -0.18 132.00 131.70 1s62 h PRO 50 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1s62 h PRO 50 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1s62 h PRO 50 CO 0.61 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.91 1s62 n ASP 51 N -2.62 0.75 -0.16 1.44 -0.08 -1.26 -4.25 116.55 110.36 1s62 n ASP 51 Ca -0.02 -1.28 -0.01 0.00 -1.51 0.00 0.00 54.79 51.97 1s62 n ASP 51 Cb 0.05 -0.01 -0.00 0.00 2.34 0.00 0.00 41.12 43.50 1s62 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s62 n GLY 52 N 1.07 0.32 3.07 0.27 0.00 -0.08 -4.65 105.19 105.19 1s62 n GLY 52 Ca 0.21 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 1s62 n GLY 52 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s62 s MET 53 N -3.98 0.73 -0.40 1.61 0.23 -1.25 -2.92 119.30 113.33 1s62 s MET 53 Ca 0.00 -0.55 -0.22 0.00 -1.03 0.00 0.00 55.69 53.89 1s62 s MET 53 Cb 0.00 -0.68 0.01 0.00 -1.53 0.00 0.00 34.83 32.64 1s62 s MET 53 CO 0.00 0.17 0.72 -0.48 -2.03 0.00 0.00 175.02 173.40 1s62 s LEU 54 N -0.80 4.27 0.22 0.18 0.05 -1.26 -1.09 118.68 120.25 1s62 s LEU 54 Ca 0.00 0.04 0.08 0.00 0.05 0.00 0.00 54.13 54.30 1s62 s LEU 54 Cb -0.06 -2.88 0.17 0.00 -2.05 0.00 0.00 46.19 41.36 1s62 s LEU 54 CO 0.00 -0.75 1.50 -0.07 -0.55 0.00 0.00 176.35 176.48 1s62 h LEU 55 N 9.74 0.08 -8.01 1.48 4.07 -1.72 -3.44 115.31 117.50 1s62 h LEU 55 Ca -0.25 -0.06 -0.39 0.00 0.08 0.00 0.00 57.88 57.26 1s62 h LEU 55 Cb 1.10 -0.02 -0.29 0.00 1.08 0.00 0.00 40.66 42.52 1s62 h LEU 55 CO 0.90 0.79 -0.78 -0.62 -1.08 0.00 0.00 178.44 177.65 1s62 s ASP 56 N -6.84 1.02 -0.28 -0.43 2.15 -1.22 -5.03 116.67 106.04 1s62 s ASP 56 Ca -0.01 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 52.81 1s62 s ASP 56 Cb 0.12 -0.13 0.17 0.00 -0.30 0.00 0.00 42.92 42.77 1s62 s ASP 56 CO 0.79 0.10 0.49 -0.51 -0.17 0.00 0.00 175.17 175.87 1s62 s ILE 57 N -0.15 -0.81 -0.06 4.11 2.07 -1.26 -0.02 121.20 125.09 1s62 s ILE 57 Ca 0.03 -0.07 0.04 0.00 -1.41 0.00 0.00 60.65 59.24 1s62 s ILE 57 Cb -0.04 -0.94 -0.00 0.00 0.13 0.00 0.00 42.46 41.61 1s62 s ILE 57 CO -0.00 -0.09 -0.19 -0.75 -1.91 0.00 0.00 174.94 171.99 1s62 s LYS 58 N 2.70 2.15 0.13 3.50 2.47 0.28 -4.95 119.74 126.01 1s62 s LYS 58 Ca 0.15 -0.69 -0.31 0.00 -1.56 0.00 0.00 55.97 53.55 1s62 s LYS 58 Cb -0.14 -1.79 -0.10 0.00 -1.46 0.00 0.00 37.83 34.34 1s62 s LYS 58 CO -0.22 0.24 1.82 -2.14 0.16 0.00 0.00 175.35 175.21 1s62 s PRO 59 N 0.12 4.14 -0.02 4.03 0.02 -1.26 0.68 135.00 142.71 1s62 s PRO 59 Ca -0.08 2.60 -0.01 0.00 0.02 0.00 0.00 61.00 63.53 1s62 s PRO 59 Cb -0.14 -3.56 -0.00 0.00 0.02 0.00 0.00 34.50 30.82 1s62 s PRO 59 CO 0.04 -0.84 -0.02 0.93 -0.33 0.00 0.00 177.00 176.78 1s62 h GLU 60 N 8.49 0.00 -2.66 5.54 4.39 -0.50 -3.45 114.58 126.39 1s62 h GLU 60 Ca -0.46 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.13 1s62 h GLU 60 Cb 1.22 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 29.61 1s62 h GLU 60 CO 0.95 0.00 -0.26 0.20 -1.16 0.00 0.00 179.01 178.74 1s62 s GLY 61 N -2.62 -0.33 0.00 -3.84 0.00 -1.12 -4.99 107.32 94.42 1s62 s GLY 61 Ca -0.02 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.12 1s62 s GLY 61 CO 0.02 1.45 0.00 0.61 0.00 0.00 0.00 173.10 175.19 1s62 n GLY 62 N 3.74 -0.09 3.69 0.20 0.00 -1.26 -0.61 105.19 110.85 1s62 n GLY 62 Ca -0.20 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 1s62 n GLY 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s62 s ASP 63 N -4.00 7.18 0.35 1.61 -1.08 -1.01 -4.94 116.67 114.79 1s62 s ASP 63 Ca 0.00 1.66 0.09 0.00 -0.52 0.00 0.00 52.55 53.78 1s62 s ASP 63 Cb 0.00 -2.56 0.83 0.00 -1.46 0.00 0.00 42.92 39.73 1s62 s ASP 63 CO 0.00 -0.48 1.86 -0.65 0.52 0.00 0.00 175.17 176.42 1s62 h PRO 64 N 7.19 0.66 0.01 4.34 0.11 -1.98 0.31 132.00 142.64 1s62 h PRO 64 Ca -0.33 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.56 1s62 h PRO 64 Cb 1.16 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 32.13 1s62 h PRO 64 CO 0.85 0.44 -0.69 0.00 -0.21 0.00 0.00 178.00 178.40 1s62 h ALA 65 N 1.60 0.07 -0.18 -0.75 0.00 -1.99 -2.25 119.26 115.76 1s62 h ALA 65 Ca 0.46 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1s62 h ALA 65 Cb 0.78 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1s62 h ALA 65 CO -0.22 0.41 0.01 1.25 0.00 0.00 0.00 179.25 180.69 1s62 h LEU 66 N -0.04 0.31 -0.45 0.00 5.85 -1.79 -1.70 115.31 117.49 1s62 h LEU 66 Ca -0.09 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1s62 h LEU 66 Cb 1.39 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 1s62 h LEU 66 CO 0.13 0.53 0.21 0.00 -0.34 0.00 0.00 178.44 178.98 1s62 h GLN 68 N 0.59 1.09 -0.11 0.00 5.75 -1.38 -1.71 115.11 119.34 1s62 h GLN 68 Ca 0.16 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1s62 h GLN 68 Cb 0.14 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 1s62 h GLN 68 CO -0.02 0.78 -0.16 0.00 -2.65 0.00 0.00 178.83 176.78 1s62 h ALA 69 N 1.25 1.52 -0.20 3.38 0.00 -0.96 -2.22 119.26 122.03 1s62 h ALA 69 Ca 0.28 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1s62 h ALA 69 Cb -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1s62 h ALA 69 CO -0.05 0.34 -0.20 0.00 0.00 0.00 0.00 179.25 179.35 1s62 h ALA 70 N 1.67 0.29 -0.70 0.00 0.00 -0.32 -1.25 119.26 118.96 1s62 h ALA 70 Ca 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1s62 h ALA 70 Cb 0.40 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1s62 h ALA 70 CO 0.03 0.22 0.34 -0.07 0.00 0.00 0.00 179.25 179.76 1s62 h LEU 71 N 0.15 0.91 -0.28 0.00 3.38 -1.18 0.69 115.31 118.98 1s62 h LEU 71 Ca 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1s62 h LEU 71 Cb 0.74 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1s62 h LEU 71 CO 0.05 0.78 0.12 0.00 0.09 0.00 0.00 178.44 179.48 1s62 h ALA 72 N 1.16 0.36 -0.45 1.53 0.00 -1.38 -1.63 119.26 118.86 1s62 h ALA 72 Ca 0.24 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1s62 h ALA 72 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1s62 h ALA 72 CO -0.03 -0.05 0.07 0.00 0.00 0.00 0.00 179.25 179.24 1s62 h ALA 73 N 0.97 0.60 -0.25 0.00 0.00 -0.98 -1.53 119.26 118.06 1s62 h ALA 73 Ca 0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1s62 h ALA 73 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1s62 h ALA 73 CO -0.01 0.32 -0.07 0.00 0.00 0.00 0.00 179.25 179.49 1s62 h ALA 74 N 0.95 1.43 0.00 0.00 0.00 -0.77 0.14 119.26 121.00 1s62 h ALA 74 Ca 0.14 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1s62 h ALA 74 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1s62 h ALA 74 CO 0.01 0.40 -0.50 0.87 0.00 0.00 0.00 179.25 180.03 1s62 h LYS 75 N 0.37 0.00 0.08 0.00 1.79 -1.10 -3.17 116.57 114.54 1s62 h LYS 75 Ca 0.08 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.29 1s62 h LYS 75 Cb 0.36 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1s62 h LYS 75 CO 0.02 0.50 -1.22 -0.07 -1.08 0.00 0.00 179.45 177.59 1s62 h LEU 76 N 0.00 0.26-10.52 2.94 -0.00 -0.40 -3.46 115.31 104.12 1s62 h LEU 76 Ca -0.00 -0.29 -0.48 0.00 -0.00 0.00 0.00 57.88 57.11 1s62 h LEU 76 Cb 1.20 -0.08 0.08 0.00 -0.00 0.00 0.00 40.66 41.86 1s62 h LEU 76 CO 0.06 1.23 0.34 0.00 -0.00 0.00 0.00 178.44 180.08 1s62 s ALA 77 N -2.67 2.94 -0.25 1.53 0.00 0.39 -5.07 121.76 118.64 1s62 s ALA 77 Ca -0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 1s62 s ALA 77 Cb 0.08 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.36 1s62 s ALA 77 CO 0.86 -1.26 -0.06 0.21 0.00 0.00 0.00 175.76 175.51 1s62 s LYS 78 N -5.34 2.85 -0.15 0.00 2.36 -1.26 -4.92 119.74 113.28 1s62 s LYS 78 Ca 0.59 -0.97 -0.23 0.00 -2.55 0.00 0.00 55.97 52.81 1s62 s LYS 78 Cb -0.11 -2.98 -0.03 0.00 -1.05 0.00 0.00 37.83 33.67 1s62 s LYS 78 CO 0.49 -0.39 0.70 0.42 1.55 0.00 0.00 175.35 178.11 1s62 s ILE 79 N 1.33 5.00 0.06 5.43 -1.09 -1.15 -5.00 121.20 125.78 1s62 s ILE 79 Ca 0.00 1.36 -0.33 0.00 -2.23 0.00 0.00 60.65 59.46 1s62 s ILE 79 Cb -0.17 -4.02 -0.12 0.00 -1.58 0.00 0.00 42.46 36.58 1s62 s ILE 79 CO -0.05 0.14 1.77 -2.65 -1.23 0.00 0.00 174.94 172.92 1s62 n PRO 80 N 4.68 2.36 -1.66 2.79 -0.02 -1.26 -4.38 135.00 137.50 1s62 n PRO 80 Ca -0.00 0.86 -0.40 0.00 -2.02 0.00 0.00 63.50 61.94 1s62 n PRO 80 Cb 0.50 -2.69 0.03 0.00 -0.02 0.00 0.00 33.50 31.31 1s62 n PRO 80 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1s62 n LYS 81 N 5.30 1.46 -1.10 -0.52 5.02 -1.26 -4.64 118.16 122.42 1s62 n LYS 81 Ca 0.19 0.53 -0.30 0.00 -2.02 0.00 0.00 58.31 56.72 1s62 n LYS 81 Cb 0.32 -2.28 -0.11 0.00 -0.02 0.00 0.00 35.03 32.94 1s62 n LYS 81 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1s62 n PRO 82 N -0.42 0.00 0.11 1.97 -0.01 -1.26 -4.81 135.00 130.58 1s62 n PRO 82 Ca 0.10 0.00 -0.20 0.00 -0.01 0.00 0.00 63.50 63.39 1s62 n PRO 82 Cb 0.43 -1.09 -0.13 0.00 -0.01 0.00 0.00 33.50 32.70 1s62 n PRO 82 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 175.50 174.49 1s62 h PRO 83 N 8.76 0.44 -5.85 0.52 0.13 -1.97 -3.45 132.00 130.58 1s62 h PRO 83 Ca -0.03 -0.68 -0.63 0.00 -0.87 0.00 0.00 66.00 63.79 1s62 h PRO 83 Cb 0.95 0.24 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1s62 h PRO 83 CO 1.02 1.31 -0.47 -1.54 -0.23 0.00 0.00 178.00 178.09 1s62 s SER 84 N -7.33 6.39 0.06 1.44 1.04 -1.26 -5.02 113.70 109.02 1s62 s SER 84 Ca -0.07 0.38 -0.15 0.00 0.48 0.00 0.00 55.95 56.60 1s62 s SER 84 Cb 0.06 -2.01 -0.26 0.00 0.10 0.00 0.00 66.02 63.91 1s62 s SER 84 CO 0.91 0.24 1.15 1.56 0.98 0.00 0.00 173.24 178.07 1s62 h GLN 85 N 3.68 0.67 0.00 4.02 1.08 -1.96 -3.26 115.11 119.34 1s62 h GLN 85 Ca -0.48 -0.80 -0.08 0.00 -1.45 0.00 0.00 58.65 55.84 1s62 h GLN 85 Cb 1.18 0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 28.85 1s62 h GLN 85 CO 0.70 1.36 -0.38 0.00 -0.95 0.00 0.00 178.83 179.56 1s62 h ALA 86 N 0.34 1.14 0.00 3.87 0.00 -1.96 -2.89 119.26 119.76 1s62 h ALA 86 Ca -0.16 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1s62 h ALA 86 Cb 1.80 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1s62 h ALA 86 CO 0.22 0.47 -0.20 -0.24 0.00 0.00 0.00 179.25 179.50 1s62 h VAL 87 N 0.00 0.52 -0.27 0.00 3.04 -1.86 -2.78 116.25 114.90 1s62 h VAL 87 Ca -0.00 -1.04 -0.07 0.00 -1.01 0.00 0.00 66.70 64.57 1s62 h VAL 87 Cb 0.78 1.72 -0.02 0.00 -2.01 0.00 0.00 31.29 31.77 1s62 h VAL 87 CO 0.05 0.20 -0.13 0.22 -1.01 0.00 0.00 177.57 176.90 1s62 h TYR 88 N 0.00 0.48 0.00 3.17 3.20 -1.56 -1.13 116.97 121.13 1s62 h TYR 88 Ca -0.00 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1s62 h TYR 88 Cb 0.71 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1s62 h TYR 88 CO 0.00 0.57 0.00 0.93 -1.64 0.00 0.00 178.16 178.02 1s62 h GLU 89 N 0.42 0.00 0.00 1.82 4.39 -1.62 -3.24 114.58 116.35 1s62 h GLU 89 Ca 0.08 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.69 1s62 h GLU 89 Cb 0.48 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1s62 h GLU 89 CO 0.03 0.00 -0.60 0.28 -1.16 0.00 0.00 179.01 177.56 1s62 h VAL 90 N 0.00 0.84 -0.05 3.13 2.07 -1.22 -3.38 116.25 117.64 1s62 h VAL 90 Ca 0.00 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.70 1s62 h VAL 90 Cb 0.67 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1s62 h VAL 90 CO 0.00 0.28 0.00 2.22 0.02 0.00 0.00 177.57 180.09 1s62 n PHE 91 N -4.56 0.06 0.23 1.57 1.16 -0.67 -3.39 117.46 111.86 1s62 n PHE 91 Ca -0.17 -0.03 0.07 0.00 -1.87 0.00 0.00 57.45 55.45 1s62 n PHE 91 Cb 0.45 0.00 0.57 0.00 -1.61 0.00 0.00 39.48 38.89 1s62 n PHE 91 CO 0.00 0.00 0.00 0.87 -1.87 0.00 0.00 176.76 175.76 1s62 h LYS 92 N 0.27 0.02 -0.25 3.97 1.57 -1.73 -1.73 116.57 118.69 1s62 h LYS 92 Ca 0.00 -0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1s62 h LYS 92 Cb 0.06 -0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.22 1s62 h LYS 92 CO 0.00 0.10 -0.49 -1.71 -0.57 0.00 0.00 179.45 176.78 1s62 n ASN 93 N -4.44 -3.04 -4.06 0.86 5.15 -1.22 -4.23 115.26 104.27 1s62 n ASN 93 Ca -0.03 -3.20 -0.35 0.00 -0.60 0.00 0.00 54.58 50.41 1s62 n ASN 93 Cb 0.16 1.81 -0.09 0.00 -0.53 0.00 0.00 39.78 41.13 1s62 n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s62 s ALA 94 N 0.74 3.89 -0.38 5.20 0.00 -1.10 -4.96 121.76 125.15 1s62 s ALA 94 Ca 0.31 -3.60 -0.29 0.00 0.00 0.00 0.00 51.96 48.39 1s62 s ALA 94 Cb 0.17 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1s62 s ALA 94 CO -0.20 -2.12 1.48 -2.14 0.00 0.00 0.00 175.76 172.78 1s62 s PRO 95 N -0.84 3.58 0.15 0.00 0.02 -1.26 -4.31 135.00 132.34 1s62 s PRO 95 Ca 0.23 1.10 -0.03 0.00 0.02 0.00 0.00 61.00 62.32 1s62 s PRO 95 Cb -0.13 -4.04 -0.05 0.00 0.02 0.00 0.00 34.50 30.30 1s62 s PRO 95 CO -0.09 -1.56 0.36 -0.51 -0.33 0.00 0.00 177.00 174.87 1s62 s LEU 96 N 5.59 4.26 -0.49 -5.54 1.02 -0.69 -4.78 118.68 118.05 1s62 s LEU 96 Ca 0.65 0.47 -0.12 0.00 0.02 0.00 0.00 54.13 55.15 1s62 s LEU 96 Cb -0.16 -3.21 0.12 0.00 0.02 0.00 0.00 46.19 42.95 1s62 s LEU 96 CO 0.32 0.03 0.40 -0.62 0.02 0.00 0.00 176.35 176.50 1s62 s ASP 97 N -2.72 5.91 0.03 2.29 2.15 -1.26 0.06 116.67 123.13 1s62 s ASP 97 Ca 0.39 -1.78 -0.23 0.00 0.43 0.00 0.00 52.55 51.36 1s62 s ASP 97 Cb -0.12 -2.10 -0.06 0.00 -0.30 0.00 0.00 42.92 40.35 1s62 s ASP 97 CO 0.27 -0.74 0.69 0.12 -0.17 0.00 0.00 175.17 175.34 1s62 s PHE 98 N 1.48 3.72 0.03 -5.34 5.36 0.44 -4.88 117.98 118.79 1s62 s PHE 98 Ca 0.04 1.36 0.06 0.00 -0.96 0.00 0.00 56.93 57.43 1s62 s PHE 98 Cb -0.27 -2.72 -0.02 0.00 -0.34 0.00 0.00 43.02 39.67 1s62 s PHE 98 CO 0.02 0.32 -0.17 0.15 -1.46 0.00 0.00 175.22 174.08 1s62 s LYS 99 N -0.18 1.21 -0.84 10.12 3.01 -1.26 -2.72 119.74 129.07 1s62 s LYS 99 Ca 0.35 -0.79 -0.30 0.00 -1.01 0.00 0.00 55.97 54.23 1s62 s LYS 99 Cb -0.20 -1.25 -0.17 0.00 -1.01 0.00 0.00 37.83 35.20 1s62 s LYS 99 CO 0.21 0.32 2.61 -2.30 0.51 0.00 0.00 175.35 176.70 1s62 n PRO 100 N 2.07 0.32 -1.91 -1.68 -0.02 -1.25 -4.78 135.00 127.75 1s62 n PRO 100 Ca -0.17 -0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.90 1s62 n PRO 100 Cb 0.54 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 1s62 n PRO 100 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1s62 s HIS 101 N 9.97 2.89 0.00 6.00 3.76 -1.26 -4.89 115.29 131.76 1s62 s HIS 101 Ca 1.24 0.93 0.00 0.00 -0.15 0.00 0.00 55.06 57.08 1s62 s HIS 101 Cb -0.93 -3.93 0.00 0.00 1.11 0.00 0.00 32.58 28.82 1s62 s HIS 101 CO 0.42 -3.07 0.00 1.58 -0.85 0.00 0.00 174.74 172.82