#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fus s ALA 3 N 0.00 3.59 0.05 -0.43 0.00 -1.26 -4.25 121.76 119.45 1fus s ALA 3 Ca 0.00 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.37 1fus s ALA 3 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1fus s ALA 3 CO 0.00 -0.81 -0.07 -0.08 0.00 0.00 0.00 175.76 174.80 1fus s THR 4 N -0.63 0.51 -0.18 0.00 -1.32 -0.11 -4.93 115.64 108.99 1fus s THR 4 Ca 0.55 -1.20 -0.02 0.00 -1.21 0.00 0.00 61.69 59.81 1fus s THR 4 Cb -0.43 -0.75 -0.01 0.00 -1.51 0.00 0.00 72.50 69.81 1fus s THR 4 CO 0.51 -0.48 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.47 1fus s THR 5 N -1.76 3.12 -0.40 5.08 2.01 -1.26 -0.09 115.64 122.35 1fus s THR 5 Ca -0.07 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 1fus s THR 5 Cb -0.07 -2.37 0.10 0.00 0.01 0.00 0.00 72.50 70.16 1fus s THR 5 CO -0.01 0.47 0.19 0.00 -0.69 0.00 0.00 174.62 174.58 1fus n GLY 7 N 4.62 1.87 0.07 0.00 0.00 -1.26 -0.81 105.19 109.68 1fus n GLY 7 Ca -0.04 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.87 1fus n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fus n SER 8 N 8.24 1.09 -4.71 1.61 3.41 -1.26 -5.03 113.62 116.97 1fus n SER 8 Ca 0.00 -1.79 -0.38 0.00 -0.26 0.00 0.00 58.87 56.44 1fus n SER 8 Cb 0.00 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 63.80 1fus n SER 8 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1fus s THR 9 N -0.78 5.20 -0.16 6.66 2.01 0.01 -5.05 115.64 123.54 1fus s THR 9 Ca 0.04 0.83 -0.08 0.00 0.31 0.00 0.00 61.69 62.80 1fus s THR 9 Cb 0.04 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1fus s THR 9 CO 0.00 0.31 0.11 0.20 -0.69 0.00 0.00 174.62 174.55 1fus s ASN 10 N 0.72 6.09 -0.02 3.53 0.01 -1.26 0.02 114.94 124.04 1fus s ASN 10 Ca 0.23 0.28 0.07 0.00 -0.71 0.00 0.00 52.86 52.73 1fus s ASN 10 Cb -0.15 -2.01 -0.02 0.00 0.41 0.00 0.00 41.25 39.48 1fus s ASN 10 CO 0.09 0.28 -0.22 -0.31 -1.51 0.00 0.00 177.10 175.42 1fus s TYR 11 N -0.22 2.00 0.77 2.20 1.51 0.88 -5.00 117.35 119.48 1fus s TYR 11 Ca 0.10 -0.38 -0.11 0.00 -1.01 0.00 0.00 57.07 55.67 1fus s TYR 11 Cb -0.12 -1.29 0.07 0.00 -0.11 0.00 0.00 41.96 40.51 1fus s TYR 11 CO 0.01 -0.04 1.13 -1.54 -1.11 0.00 0.00 175.55 174.00 1fus s SER 12 N -0.51 4.69 0.23 2.29 1.04 -1.26 -0.93 113.70 119.24 1fus s SER 12 Ca 0.08 0.73 -0.07 0.00 0.48 0.00 0.00 55.95 57.18 1fus s SER 12 Cb -0.09 -1.30 0.31 0.00 0.10 0.00 0.00 66.02 65.04 1fus s SER 12 CO -0.01 -1.77 1.81 0.00 0.98 0.00 0.00 173.24 174.26 1fus h ALA 13 N -0.89 1.04 -0.78 5.32 0.00 -1.92 -1.68 119.26 120.34 1fus h ALA 13 Ca -0.46 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1fus h ALA 13 Cb 1.32 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1fus h ALA 13 CO 0.64 0.10 0.37 0.66 0.00 0.00 0.00 179.25 181.02 1fus h SER 14 N 0.76 1.03 -0.57 0.00 4.64 -1.93 -0.98 113.55 116.51 1fus h SER 14 Ca 0.35 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.47 1fus h SER 14 Cb 0.25 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1fus h SER 14 CO -0.21 0.89 0.14 1.56 -0.87 0.00 0.00 176.83 178.34 1fus h GLN 15 N 1.11 0.92 -0.38 4.77 4.20 -1.72 -0.33 115.11 123.67 1fus h GLN 15 Ca 0.27 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1fus h GLN 15 Cb 0.13 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1fus h GLN 15 CO -0.03 0.85 0.17 0.28 -0.67 0.00 0.00 178.83 179.43 1fus h VAL 16 N 0.82 1.18 -0.50 -0.54 2.07 -0.95 -2.31 116.25 116.03 1fus h VAL 16 Ca 0.18 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1fus h VAL 16 Cb 0.34 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1fus h VAL 16 CO 0.00 0.20 0.29 -0.09 0.02 0.00 0.00 177.57 177.99 1fus h ARG 17 N 0.47 0.56 -0.59 1.57 2.43 -1.08 -1.07 114.38 116.68 1fus h ARG 17 Ca 0.13 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1fus h ARG 17 Cb 0.16 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1fus h ARG 17 CO -0.01 0.37 0.36 0.00 -1.51 0.00 0.00 179.97 179.18 1fus h ALA 18 N 1.23 0.76 -0.28 2.80 0.00 -0.81 0.13 119.26 123.10 1fus h ALA 18 Ca 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1fus h ALA 18 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1fus h ALA 18 CO -0.10 0.09 0.03 0.00 0.00 0.00 0.00 179.25 179.27 1fus h ALA 19 N 1.26 0.38 -0.38 0.00 0.00 -1.13 -1.52 119.26 117.86 1fus h ALA 19 Ca 0.24 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1fus h ALA 19 Cb 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1fus h ALA 19 CO -0.10 0.09 0.22 0.00 0.00 0.00 0.00 179.25 179.45 1fus h ALA 20 N 0.85 0.48 -0.50 0.00 0.00 -0.91 0.26 119.26 119.44 1fus h ALA 20 Ca 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1fus h ALA 20 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1fus h ALA 20 CO 0.01 -0.13 0.21 -0.97 0.00 0.00 0.00 179.25 178.37 1fus h ASN 21 N 0.44 0.69 -0.53 0.00 -1.24 -0.67 -1.39 115.58 112.88 1fus h ASN 21 Ca 0.15 -0.16 -0.00 0.00 0.71 0.00 0.00 56.30 57.00 1fus h ASN 21 Cb 0.02 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 38.86 1fus h ASN 21 CO -0.08 0.66 0.32 0.00 -1.29 0.00 0.00 177.43 177.04 1fus h ALA 22 N 1.06 0.68 -0.34 1.57 0.00 -0.91 -1.21 119.26 120.11 1fus h ALA 22 Ca 0.17 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1fus h ALA 22 Cb 0.18 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1fus h ALA 22 CO -0.02 0.17 -0.10 0.00 0.00 0.00 0.00 179.25 179.30 1fus h ALA 23 N 1.16 0.20 -0.13 0.00 0.00 -0.05 -0.46 119.26 119.98 1fus h ALA 23 Ca 0.19 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.28 1fus h ALA 23 Cb -0.01 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1fus h ALA 23 CO -0.04 -0.47 -0.16 0.00 0.00 0.00 0.00 179.25 178.58 1fus h GLN 25 N -0.21 0.51 -0.41 0.00 1.08 -0.84 -0.14 115.11 115.11 1fus h GLN 25 Ca 0.09 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 1fus h GLN 25 Cb 0.34 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1fus h GLN 25 CO -0.25 0.34 -0.01 1.88 -0.95 0.00 0.00 178.83 179.84 1fus h TYR 26 N 0.53 0.79 -0.14 2.96 -1.99 -0.73 -2.66 116.97 115.73 1fus h TYR 26 Ca 0.24 -0.14 0.02 0.00 2.00 0.00 0.00 58.73 60.84 1fus h TYR 26 Cb 0.15 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.66 1fus h TYR 26 CO -0.10 0.80 0.04 -0.92 -0.00 0.00 0.00 178.16 177.98 1fus h TYR 27 N 0.55 0.07 0.00 4.88 3.20 -0.73 -1.44 116.97 123.50 1fus h TYR 27 Ca 0.11 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1fus h TYR 27 Cb 0.50 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.76 1fus h TYR 27 CO 0.04 0.03 0.00 1.96 -1.64 0.00 0.00 178.16 178.55 1fus h GLN 28 N 0.10 0.00 -0.11 1.82 4.20 -1.07 -2.33 115.11 117.73 1fus h GLN 28 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1fus h GLN 28 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1fus h GLN 28 CO -0.07 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.18 1fus n ASN 29 N -3.06 2.81 -2.78 1.46 3.02 -0.87 -4.96 115.26 110.87 1fus n ASN 29 Ca -0.00 -1.91 -0.19 0.00 -0.03 0.00 0.00 54.58 52.44 1fus n ASN 29 Cb 0.24 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1fus n ASN 29 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1fus n ASP 30 N 1.16 -4.87 -4.63 6.41 9.92 -0.66 -4.96 116.55 118.91 1fus n ASP 30 Ca 0.16 -0.10 -0.26 0.00 -0.53 0.00 0.00 54.79 54.06 1fus n ASP 30 Cb 0.55 -4.03 -0.09 0.00 -0.64 0.00 0.00 41.12 36.91 1fus n ASP 30 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1fus s ASP 31 N -2.36 4.05 0.17 -2.24 1.01 -0.63 -5.05 116.67 111.62 1fus s ASP 31 Ca 0.17 -1.16 0.08 0.00 0.71 0.00 0.00 52.55 52.35 1fus s ASP 31 Cb -0.08 -0.45 -0.04 0.00 1.01 0.00 0.00 42.92 43.36 1fus s ASP 31 CO 0.20 -0.35 -0.16 0.42 0.21 0.00 0.00 175.17 175.50 1fus s THR 32 N -2.61 1.66 -0.35 -1.27 -4.23 -1.26 -4.35 115.64 103.23 1fus s THR 32 Ca 0.36 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.57 1fus s THR 32 Cb 0.04 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 72.02 1fus s THR 32 CO 0.19 -0.47 1.38 0.00 -0.54 0.00 0.00 174.62 175.18 1fus s ALA 33 N -2.49 3.19 0.00 3.99 0.00 0.89 -4.86 121.76 122.48 1fus s ALA 33 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1fus s ALA 33 Cb -0.03 -3.87 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1fus s ALA 33 CO 0.06 -2.11 0.00 0.41 0.00 0.00 0.00 175.76 174.12 1fus n GLY 34 N 4.74 3.45 0.46 0.00 0.00 -1.18 -2.12 105.19 110.54 1fus n GLY 34 Ca 0.16 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1fus n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fus n SER 35 N 4.49 1.55 -4.84 1.61 3.41 -1.26 -4.93 113.62 113.65 1fus n SER 35 Ca 0.00 -1.36 -0.29 0.00 -0.26 0.00 0.00 58.87 56.96 1fus n SER 35 Cb 0.00 0.08 0.10 0.00 -0.26 0.00 0.00 64.21 64.13 1fus n SER 35 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1fus s SER 36 N -2.20 4.32 -0.07 4.04 1.04 -0.90 -4.98 113.70 114.95 1fus s SER 36 Ca 0.31 1.02 0.17 0.00 0.48 0.00 0.00 55.95 57.92 1fus s SER 36 Cb 0.20 -1.64 0.60 0.00 0.10 0.00 0.00 66.02 65.29 1fus s SER 36 CO 0.41 -2.04 1.49 0.35 0.98 0.00 0.00 173.24 174.43 1fus n THR 37 N -3.44 1.38 -3.59 2.02 -2.24 -1.26 -4.43 114.28 102.72 1fus n THR 37 Ca 0.07 -0.96 -0.37 0.00 -2.27 0.00 0.00 64.05 60.52 1fus n THR 37 Cb 0.59 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.91 1fus n THR 37 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1fus s TYR 38 N -1.64 3.68 0.47 4.78 2.02 -1.26 -3.30 117.35 122.10 1fus s TYR 38 Ca 0.43 0.87 -0.20 0.00 -0.37 0.00 0.00 57.07 57.81 1fus s TYR 38 Cb 0.27 -2.20 -0.09 0.00 -0.40 0.00 0.00 41.96 39.54 1fus s TYR 38 CO 0.23 0.64 1.00 -1.25 -1.57 0.00 0.00 175.55 174.60 1fus s PRO 39 N -1.21 3.95 0.13 -1.71 0.04 -1.26 -0.08 135.00 134.85 1fus s PRO 39 Ca 0.24 1.23 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 1fus s PRO 39 Cb -0.15 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1fus s PRO 39 CO 0.13 -0.29 0.11 -3.38 0.04 0.00 0.00 177.00 173.61 1fus s HIS 40 N -2.14 0.67 0.28 0.56 -3.43 -1.11 -4.93 115.29 105.19 1fus s HIS 40 Ca 0.64 -1.06 -0.27 0.00 -0.80 0.00 0.00 55.06 53.57 1fus s HIS 40 Cb -0.13 -0.34 -0.15 0.00 -1.43 0.00 0.00 32.58 30.53 1fus s HIS 40 CO 0.19 -0.56 0.83 2.41 -2.00 0.00 0.00 174.74 175.61 1fus n THR 41 N -0.11 1.98 -4.10 -5.38 -1.04 -1.26 -1.50 114.28 102.88 1fus n THR 41 Ca -0.07 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 61.12 1fus n THR 41 Cb 0.63 -0.69 -0.16 0.00 -1.82 0.00 0.00 70.33 68.30 1fus n THR 41 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1fus s TYR 42 N -1.09 2.61 -0.30 -1.42 6.14 0.21 -4.68 117.35 118.82 1fus s TYR 42 Ca 0.61 -1.53 -0.12 0.00 0.64 0.00 0.00 57.07 56.67 1fus s TYR 42 Cb -0.75 -1.83 -0.04 0.00 0.42 0.00 0.00 41.96 39.76 1fus s TYR 42 CO 0.59 -0.77 0.22 -0.80 0.64 0.00 0.00 175.55 175.42 1fus s ASN 43 N 1.33 6.04 -1.26 4.32 -0.87 -1.26 -4.08 114.94 119.16 1fus s ASN 43 Ca 0.05 -0.12 -0.09 0.00 -1.57 0.00 0.00 52.86 51.12 1fus s ASN 43 Cb -0.13 -2.13 -0.13 0.00 -0.02 0.00 0.00 41.25 38.84 1fus s ASN 43 CO -0.12 -0.12 3.11 -3.20 -2.57 0.00 0.00 177.10 174.20 1fus n ASN 44 N 5.09 7.96 0.23 -1.22 5.15 -1.26 -4.54 115.26 126.68 1fus n ASN 44 Ca -0.13 -2.55 0.15 0.00 -0.60 0.00 0.00 54.58 51.45 1fus n ASN 44 Cb 0.51 -1.52 0.58 0.00 -0.53 0.00 0.00 39.78 38.82 1fus n ASN 44 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1fus h TYR 45 N 4.57 0.00 0.00 1.20 -0.00 -2.00 -2.61 116.97 118.13 1fus h TYR 45 Ca 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.45 1fus h TYR 45 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.28 1fus h TYR 45 CO 1.87 0.00 -0.38 0.93 -0.00 0.00 0.00 178.16 180.58 1fus h GLU 46 N 0.00 0.00 -0.37 0.10 5.08 -1.98 -3.48 114.58 113.93 1fus h GLU 46 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1fus h GLU 46 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1fus h GLU 46 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1fus n GLY 47 N 1.23 1.01 3.77 -3.84 0.00 -0.98 -5.04 105.19 101.33 1fus n GLY 47 Ca 0.03 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1fus n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fus s PHE 48 N -2.37 3.03 -1.23 1.61 0.08 -1.26 -4.92 117.98 112.92 1fus s PHE 48 Ca 0.00 1.34 -0.09 0.00 0.12 0.00 0.00 56.93 58.30 1fus s PHE 48 Cb 0.00 -3.72 0.19 0.00 -0.57 0.00 0.00 43.02 38.93 1fus s PHE 48 CO 0.00 -2.03 1.70 -0.25 -0.10 0.00 0.00 175.22 174.53 1fus n ASP 49 N 1.06 5.33 -4.77 1.36 10.43 0.59 -5.00 116.55 125.53 1fus n ASP 49 Ca 0.01 -3.12 -0.36 0.00 2.57 0.00 0.00 54.79 53.89 1fus n ASP 49 Cb 0.41 -1.46 -0.00 0.00 1.84 0.00 0.00 41.12 41.91 1fus n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1fus s PHE 50 N 0.10 2.78 -0.95 1.24 0.08 -1.26 -4.65 117.98 115.32 1fus s PHE 50 Ca 0.39 1.54 0.26 0.00 0.12 0.00 0.00 56.93 59.23 1fus s PHE 50 Cb 0.05 -3.34 1.06 0.00 -0.57 0.00 0.00 43.02 40.22 1fus s PHE 50 CO 0.01 -1.54 1.81 -0.35 -0.10 0.00 0.00 175.22 175.05 1fus n PRO 51 N -0.85 0.03 -4.31 0.24 -0.04 -1.26 -4.77 135.00 124.04 1fus n PRO 51 Ca 0.09 0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.42 1fus n PRO 51 Cb 0.49 -1.55 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 1fus n PRO 51 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1fus s VAL 52 N -3.02 1.75 0.46 0.52 -7.23 -1.26 -5.12 120.40 106.50 1fus s VAL 52 Ca 0.12 -1.78 -0.19 0.00 -1.81 0.00 0.00 61.98 58.31 1fus s VAL 52 Cb 0.16 -1.73 -0.10 0.00 0.56 0.00 0.00 36.38 35.27 1fus s VAL 52 CO 0.48 -0.24 0.96 -0.62 -0.31 0.00 0.00 175.10 175.38 1fus s ASP 53 N -2.40 6.82 0.88 4.85 -1.08 -1.26 -5.01 116.67 119.47 1fus s ASP 53 Ca 0.12 1.65 0.00 0.00 -0.52 0.00 0.00 52.55 53.80 1fus s ASP 53 Cb -0.07 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 1fus s ASP 53 CO 0.06 -0.45 0.00 0.61 0.52 0.00 0.00 175.17 175.91 1fus n GLY 54 N -0.97 -1.08 3.75 2.66 0.00 -1.26 -4.75 105.19 103.54 1fus n GLY 54 Ca 0.07 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 1fus n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fus s PRO 55 N -2.65 1.94 0.27 1.61 0.04 -1.26 -4.82 135.00 130.12 1fus s PRO 55 Ca 0.00 1.08 0.10 0.00 0.04 0.00 0.00 61.00 62.21 1fus s PRO 55 Cb 0.00 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1fus s PRO 55 CO 0.00 -1.84 -0.00 0.71 0.04 0.00 0.00 177.00 175.90 1fus s TYR 56 N -2.91 2.70 -0.02 0.56 2.02 -1.26 -2.51 117.35 115.94 1fus s TYR 56 Ca 0.62 -0.22 0.04 0.00 -0.37 0.00 0.00 57.07 57.14 1fus s TYR 56 Cb -0.18 -1.19 -0.01 0.00 -0.40 0.00 0.00 41.96 40.18 1fus s TYR 56 CO 0.56 0.62 -0.14 -0.65 -1.57 0.00 0.00 175.55 174.37 1fus s GLN 57 N -3.67 1.23 0.13 -0.62 -1.52 0.25 -0.62 119.66 114.83 1fus s GLN 57 Ca 0.31 -0.51 0.10 0.00 -1.95 0.00 0.00 55.36 53.32 1fus s GLN 57 Cb -0.06 -1.16 -0.04 0.00 -0.22 0.00 0.00 33.01 31.52 1fus s GLN 57 CO 0.20 0.28 -0.20 -1.83 -0.25 0.00 0.00 175.29 173.49 1fus s GLU 58 N -0.23 1.70 -0.17 2.91 -1.05 -0.56 -1.21 118.70 120.09 1fus s GLU 58 Ca 0.03 -1.26 -0.17 0.00 -0.15 0.00 0.00 54.97 53.42 1fus s GLU 58 Cb -0.07 -2.04 0.05 0.00 -0.44 0.00 0.00 34.13 31.63 1fus s GLU 58 CO -0.00 0.46 0.48 0.12 0.95 0.00 0.00 175.26 177.27 1fus s PHE 59 N -1.23 -0.51 0.73 4.83 5.36 -0.65 -2.74 117.98 123.76 1fus s PHE 59 Ca 0.18 1.22 -0.14 0.00 -0.96 0.00 0.00 56.93 57.23 1fus s PHE 59 Cb -0.10 0.18 0.04 0.00 -0.34 0.00 0.00 43.02 42.80 1fus s PHE 59 CO 0.10 -0.27 1.17 -2.14 -1.46 0.00 0.00 175.22 172.62 1fus s PRO 60 N 0.13 2.21 -0.04 10.12 0.02 -1.26 -0.11 135.00 146.06 1fus s PRO 60 Ca -0.01 1.63 0.02 0.00 0.02 0.00 0.00 61.00 62.66 1fus s PRO 60 Cb -0.03 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.64 1fus s PRO 60 CO 0.01 -1.76 -0.10 -1.50 -0.33 0.00 0.00 177.00 173.33 1fus s ILE 61 N -2.16 0.88 0.03 2.83 2.07 -0.89 -4.61 121.20 119.36 1fus s ILE 61 Ca 0.71 -0.38 -0.03 0.00 -1.41 0.00 0.00 60.65 59.54 1fus s ILE 61 Cb -0.26 -0.81 -0.02 0.00 0.13 0.00 0.00 42.46 41.50 1fus s ILE 61 CO 0.46 0.28 0.04 -1.59 -1.91 0.00 0.00 174.94 172.22 1fus s LYS 62 N 0.43 0.50 0.27 3.50 -2.85 -1.26 -4.42 119.74 115.90 1fus s LYS 62 Ca -0.08 -0.76 -0.04 0.00 -1.00 0.00 0.00 55.97 54.09 1fus s LYS 62 Cb -0.12 0.19 0.33 0.00 -2.06 0.00 0.00 37.83 36.17 1fus s LYS 62 CO 0.01 -0.11 1.91 0.77 0.10 0.00 0.00 175.35 178.04 1fus h SER 63 N 3.93 1.03 0.44 0.03 0.02 -2.00 -3.24 113.55 113.76 1fus h SER 63 Ca -0.32 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1fus h SER 63 Cb 1.19 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1fus h SER 63 CO 0.49 0.79 0.00 0.61 -1.14 0.00 0.00 176.83 177.59 1fus n GLY 64 N -1.26 -0.99 0.00 -3.77 0.00 -1.26 -4.98 105.19 92.93 1fus n GLY 64 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1fus n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fus n GLY 65 N 0.38 2.69 3.77 -0.02 0.00 -1.23 -5.09 105.19 105.69 1fus n GLY 65 Ca 0.08 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 1fus n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fus s VAL 67 N -1.78 2.29 0.17 1.61 1.01 -1.26 -4.21 120.40 118.23 1fus s VAL 67 Ca 0.00 0.28 -0.31 0.00 0.00 0.00 0.00 61.98 61.95 1fus s VAL 67 Cb 0.00 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 1fus s VAL 67 CO 0.00 0.06 1.42 -0.47 0.00 0.00 0.00 175.10 176.11 1fus s TYR 68 N -0.90 3.17 0.00 5.22 6.14 -1.26 -4.91 117.35 124.81 1fus s TYR 68 Ca 0.53 0.96 0.00 0.00 0.64 0.00 0.00 57.07 59.20 1fus s TYR 68 Cb -0.44 -3.74 0.00 0.00 0.42 0.00 0.00 41.96 38.20 1fus s TYR 68 CO 0.57 -2.53 0.40 0.25 0.64 0.00 0.00 175.55 174.88 1fus n THR 69 N 3.39 0.00 0.00 4.34 -2.24 -1.26 -4.96 114.28 113.55 1fus n THR 69 Ca 0.10 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1fus n THR 69 Cb 0.41 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 1fus n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fus n GLY 70 N 0.03 1.82 3.99 3.38 0.00 -1.26 -3.08 105.19 110.07 1fus n GLY 70 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1fus n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fus n GLY 71 N -1.69 -1.78 3.69 -0.02 0.00 -1.26 -4.84 105.19 99.28 1fus n GLY 71 Ca 0.00 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1fus n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fus s SER 72 N -4.00 6.56 0.14 1.61 0.15 -1.26 -4.89 113.70 112.01 1fus s SER 72 Ca 0.00 2.56 0.26 0.00 0.70 0.00 0.00 55.95 59.48 1fus s SER 72 Cb 0.00 -2.57 0.96 0.00 -1.71 0.00 0.00 66.02 62.70 1fus s SER 72 CO 0.00 -0.91 1.81 -0.81 1.20 0.00 0.00 173.24 174.54 1fus n PRO 73 N 5.41 0.16 -0.03 5.44 -0.04 -1.26 -5.05 135.00 139.63 1fus n PRO 73 Ca 0.16 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1fus n PRO 73 Cb 0.40 -1.70 -0.00 0.00 -0.04 0.00 0.00 33.50 32.16 1fus n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fus n GLY 74 N 1.23 -2.05 0.01 0.55 0.00 -1.26 -4.43 105.19 99.23 1fus n GLY 74 Ca 0.06 -1.42 0.11 0.00 0.00 0.00 0.00 46.02 44.77 1fus n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fus n ALA 75 N -0.23 3.99 -2.71 4.61 0.00 -1.26 -4.97 120.51 119.93 1fus n ALA 75 Ca 0.00 -0.46 -0.32 0.00 0.00 0.00 0.00 53.44 52.66 1fus n ALA 75 Cb 0.01 -0.95 -0.08 0.00 0.00 0.00 0.00 19.45 18.43 1fus n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1fus s ASP 76 N -3.18 5.25 0.03 0.00 1.01 -1.26 -0.69 116.67 117.83 1fus s ASP 76 Ca 0.08 0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.35 1fus s ASP 76 Cb 0.16 -1.39 -0.02 0.00 1.01 0.00 0.00 42.92 42.68 1fus s ASP 76 CO 0.79 0.26 -0.04 -0.13 0.21 0.00 0.00 175.17 176.26 1fus s ARG 77 N -1.71 0.38 0.04 8.23 1.81 0.30 -2.09 118.95 125.90 1fus s ARG 77 Ca 0.21 -0.71 0.00 0.00 -1.72 0.00 0.00 55.73 53.52 1fus s ARG 77 Cb -0.12 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.41 1fus s ARG 77 CO 0.12 -0.04 0.12 0.14 -0.68 0.00 0.00 175.30 174.96 1fus s VAL 78 N -1.77 4.91 -0.12 3.52 -7.23 0.84 -0.65 120.40 119.91 1fus s VAL 78 Ca -0.12 -0.48 0.02 0.00 -1.81 0.00 0.00 61.98 59.59 1fus s VAL 78 Cb -0.08 -3.33 0.01 0.00 0.56 0.00 0.00 36.38 33.55 1fus s VAL 78 CO -0.02 0.23 -0.19 -0.69 -0.31 0.00 0.00 175.10 174.12 1fus s VAL 79 N -1.35 1.77 0.23 1.32 1.01 0.47 -1.64 120.40 122.22 1fus s VAL 79 Ca 0.28 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.52 1fus s VAL 79 Cb -0.12 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1fus s VAL 79 CO 0.20 0.50 -0.12 0.27 0.00 0.00 0.00 175.10 175.95 1fus s ILE 80 N 0.79 1.70 0.61 2.22 -4.36 -0.35 0.10 121.20 121.92 1fus s ILE 80 Ca -0.09 -2.19 0.08 0.00 -0.26 0.00 0.00 60.65 58.19 1fus s ILE 80 Cb -0.16 -2.17 0.10 0.00 1.25 0.00 0.00 42.46 41.48 1fus s ILE 80 CO 0.00 -0.50 0.85 0.54 0.24 0.00 0.00 174.94 176.07 1fus s ASN 81 N -3.35 4.91 0.00 4.36 2.20 -0.15 -0.58 114.94 122.33 1fus s ASN 81 Ca 0.25 -0.81 0.13 0.00 -0.94 0.00 0.00 52.86 51.49 1fus s ASN 81 Cb 0.01 0.34 0.62 0.00 -2.00 0.00 0.00 41.25 40.22 1fus s ASN 81 CO 0.08 -1.49 1.39 0.35 -2.94 0.00 0.00 177.10 174.49 1fus n THR 82 N -2.38 0.85 0.03 0.54 -2.24 -1.04 -0.65 114.28 109.39 1fus n THR 82 Ca 0.16 0.21 0.10 0.00 -2.27 0.00 0.00 64.05 62.25 1fus n THR 82 Cb 0.62 -0.99 0.21 0.00 -2.10 0.00 0.00 70.33 68.07 1fus n THR 82 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1fus n ASN 83 N -1.39 3.30 -1.15 3.42 4.13 -1.26 -4.95 115.26 117.36 1fus n ASN 83 Ca 0.05 -1.94 -0.13 0.00 1.68 0.00 0.00 54.58 54.24 1fus n ASN 83 Cb 0.13 -0.28 -0.04 0.00 -1.54 0.00 0.00 39.78 38.05 1fus n ASN 83 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1fus s GLU 85 N -3.66 4.62 0.04 0.00 2.02 -1.26 -4.82 118.70 115.65 1fus s GLU 85 Ca 0.00 1.34 -0.31 0.00 0.02 0.00 0.00 54.97 56.03 1fus s GLU 85 Cb 0.00 -3.39 -0.07 0.00 0.10 0.00 0.00 34.13 30.77 1fus s GLU 85 CO 0.00 0.18 1.48 -0.47 0.02 0.00 0.00 175.26 176.46 1fus s TYR 86 N 0.19 2.79 -0.25 1.61 6.14 -1.26 -0.97 117.35 125.60 1fus s TYR 86 Ca 0.46 0.69 0.04 0.00 0.64 0.00 0.00 57.07 58.90 1fus s TYR 86 Cb -0.22 -3.76 -0.17 0.00 0.42 0.00 0.00 41.96 38.23 1fus s TYR 86 CO 0.28 -2.87 -0.19 0.00 0.64 0.00 0.00 175.55 173.41 1fus n ALA 87 N 5.19 1.46 0.00 3.97 0.00 0.12 -4.71 120.51 126.54 1fus n ALA 87 Ca 0.14 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.47 1fus n ALA 87 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1fus n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fus n GLY 88 N 2.23 -2.07 3.11 0.00 0.00 -0.97 -4.28 105.19 103.22 1fus n GLY 88 Ca -0.43 -1.26 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 1fus n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fus s ALA 89 N -1.45 1.60 0.19 4.61 0.00 -1.26 -0.39 121.76 125.06 1fus s ALA 89 Ca 0.00 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.38 1fus s ALA 89 Cb 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 1fus s ALA 89 CO 0.00 0.21 -0.14 0.96 0.00 0.00 0.00 175.76 176.79 1fus s ILE 90 N 0.40 1.67 -0.00 0.00 -4.36 0.18 -0.69 121.20 118.40 1fus s ILE 90 Ca -0.13 -2.17 -0.08 0.00 -0.26 0.00 0.00 60.65 58.00 1fus s ILE 90 Cb -0.15 -2.00 0.00 0.00 1.25 0.00 0.00 42.46 41.56 1fus s ILE 90 CO 0.05 -0.60 0.16 0.28 0.24 0.00 0.00 174.94 175.07 1fus s THR 91 N -2.95 0.08 -0.45 8.37 -1.32 0.39 -0.54 115.64 119.22 1fus s THR 91 Ca 0.21 -0.63 0.25 0.00 -1.21 0.00 0.00 61.69 60.31 1fus s THR 91 Cb -0.01 -0.45 0.33 0.00 -1.51 0.00 0.00 72.50 70.86 1fus s THR 91 CO 0.06 -0.35 1.72 0.45 -2.21 0.00 0.00 174.62 174.29 1fus h HIS 92 N 4.29 0.00 -2.51 9.09 3.86 -1.13 -0.67 115.15 128.07 1fus h HIS 92 Ca -0.30 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.35 1fus h HIS 92 Cb 1.19 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.66 1fus h HIS 92 CO 0.58 0.00 1.20 0.99 0.86 0.00 0.00 177.93 181.55 1fus s THR 93 N -3.25 3.40 0.00 2.45 2.01 -1.26 -1.63 115.64 117.35 1fus s THR 93 Ca 0.07 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.54 1fus s THR 93 Cb 0.08 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.22 1fus s THR 93 CO 0.61 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 1fus n GLY 94 N 4.64 0.75 3.85 4.40 0.00 -1.26 -4.68 105.19 112.89 1fus n GLY 94 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1fus n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fus s ALA 95 N -2.59 3.65 0.24 4.61 0.00 -0.65 -4.91 121.76 122.11 1fus s ALA 95 Ca 0.00 -1.39 0.05 0.00 0.00 0.00 0.00 51.96 50.62 1fus s ALA 95 Cb 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1fus s ALA 95 CO 0.00 0.25 0.37 -1.54 0.00 0.00 0.00 175.76 174.83 1fus s SER 96 N -3.87 6.32 0.73 0.00 1.04 -1.26 -4.90 113.70 111.75 1fus s SER 96 Ca 0.33 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1fus s SER 96 Cb -0.08 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.17 1fus s SER 96 CO 0.26 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.01 1fus n GLY 97 N -1.41 2.53 1.52 7.32 0.00 -1.26 -1.38 105.19 112.51 1fus n GLY 97 Ca -0.09 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 45.78 1fus n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fus n ASN 98 N 0.95 4.51 -4.58 1.61 4.13 -1.26 -4.97 115.26 115.65 1fus n ASN 98 Ca 0.00 -2.58 -0.29 0.00 1.68 0.00 0.00 54.58 53.39 1fus n ASN 98 Cb 0.00 -0.59 0.13 0.00 -1.54 0.00 0.00 39.78 37.78 1fus n ASN 98 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1fus s ASN 99 N -0.73 3.80 0.18 6.41 0.01 -0.48 -5.06 114.94 119.08 1fus s ASN 99 Ca 0.44 0.61 0.09 0.00 -0.71 0.00 0.00 52.86 53.30 1fus s ASN 99 Cb 0.31 -0.95 -0.04 0.00 0.41 0.00 0.00 41.25 40.98 1fus s ASN 99 CO 0.17 -2.33 -0.20 -0.36 -1.51 0.00 0.00 177.10 172.87 1fus s PHE 100 N -3.64 1.97 0.32 2.20 0.08 -1.26 -4.51 117.98 113.14 1fus s PHE 100 Ca 0.67 -0.44 0.09 0.00 0.12 0.00 0.00 56.93 57.37 1fus s PHE 100 Cb -0.09 -0.97 -0.06 0.00 -0.57 0.00 0.00 43.02 41.33 1fus s PHE 100 CO 0.51 0.40 -0.10 0.14 -0.10 0.00 0.00 175.22 176.08 1fus s VAL 101 N -2.03 2.10 0.37 -0.44 -7.23 -0.26 -4.93 120.40 107.98 1fus s VAL 101 Ca 0.18 -2.20 -0.17 0.00 -1.81 0.00 0.00 61.98 57.98 1fus s VAL 101 Cb -0.06 -2.56 -0.10 0.00 0.56 0.00 0.00 36.38 34.22 1fus s VAL 101 CO 0.08 -0.25 0.82 -0.83 -0.31 0.00 0.00 175.10 174.62 1fus s GLY 102 N -3.55 2.34 0.80 2.32 0.00 -1.26 -0.46 107.32 107.50 1fus s GLY 102 Ca 0.31 0.18 -0.12 0.00 0.00 0.00 0.00 44.72 45.09 1fus s GLY 102 CO 0.15 0.41 1.13 0.00 0.00 0.00 0.00 173.10 174.80 1fus n SER 104 N -3.34 2.70 0.00 0.00 3.41 0.54 -1.24 113.62 115.68 1fus n SER 104 Ca 0.07 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 1fus n SER 104 Cb 0.59 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 1fus n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fus n GLY 105 N 3.05 1.67 3.36 5.00 0.00 -1.26 -4.55 105.19 112.46 1fus n GLY 105 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1fus n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fus s THR 106 N -2.43 3.50 0.00 2.61 2.01 -0.38 -5.01 115.64 115.94 1fus s THR 106 Ca 0.00 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.54 1fus s THR 106 Cb 0.00 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.93 1fus s THR 106 CO 0.00 0.43 0.20 0.59 -0.69 0.00 0.00 174.62 175.16