#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbs s THR 2 N 0.00 2.60 -0.09 0.00 2.01 -1.26 -1.55 115.64 117.35 1jbs s THR 2 Ca 0.00 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 1jbs s THR 2 Cb 0.00 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 1jbs s THR 2 CO 0.00 0.53 0.04 0.26 -0.69 0.00 0.00 174.62 174.76 1jbs s TRP 3 N 0.59 3.28 -0.11 4.92 0.52 0.17 -4.42 118.94 123.88 1jbs s TRP 3 Ca -0.10 0.28 0.03 0.00 0.02 0.00 0.00 56.10 56.33 1jbs s TRP 3 Cb -0.16 -1.82 -0.00 0.00 -1.15 0.00 0.00 33.47 30.34 1jbs s TRP 3 CO 0.03 0.54 -0.21 0.99 0.02 0.00 0.00 176.95 178.33 1jbs s THR 4 N -0.94 2.32 0.04 2.01 2.01 0.12 0.46 115.64 121.64 1jbs s THR 4 Ca 0.14 -0.92 0.09 0.00 0.31 0.00 0.00 61.69 61.31 1jbs s THR 4 Cb -0.12 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1jbs s THR 4 CO 0.04 0.55 -0.25 0.00 -0.69 0.00 0.00 174.62 174.26 1jbs s ILE 6 N -0.77 4.02 -0.11 0.00 -1.09 -1.26 0.15 121.20 122.15 1jbs s ILE 6 Ca 0.11 -0.51 0.02 0.00 -2.23 0.00 0.00 60.65 58.04 1jbs s ILE 6 Cb -0.10 -2.99 0.01 0.00 -1.58 0.00 0.00 42.46 37.80 1jbs s ILE 6 CO 0.02 0.19 -0.17 0.21 -1.23 0.00 0.00 174.94 173.95 1jbs s ASN 7 N 1.53 2.56 0.08 3.58 3.84 0.32 -4.72 114.94 122.14 1jbs s ASN 7 Ca 0.04 -0.46 -0.30 0.00 0.21 0.00 0.00 52.86 52.35 1jbs s ASN 7 Cb -0.16 -1.16 -0.06 0.00 -0.55 0.00 0.00 41.25 39.32 1jbs s ASN 7 CO 0.02 0.04 1.11 -1.10 -2.79 0.00 0.00 177.10 174.38 1jbs s GLN 8 N 0.86 4.52 0.00 0.43 -0.21 0.12 0.10 119.66 125.48 1jbs s GLN 8 Ca -0.09 1.66 0.03 0.00 0.02 0.00 0.00 55.36 56.98 1jbs s GLN 8 Cb -0.15 -3.35 -0.01 0.00 1.00 0.00 0.00 33.01 30.49 1jbs s GLN 8 CO -0.00 -0.09 -0.09 -0.65 -2.12 0.00 0.00 175.29 172.34 1jbs s GLN 9 N 0.59 0.69 -0.50 2.91 -0.21 0.17 -0.91 119.66 122.40 1jbs s GLN 9 Ca 0.54 -0.38 -0.28 0.00 0.02 0.00 0.00 55.36 55.26 1jbs s GLN 9 Cb -0.27 -0.65 0.00 0.00 1.00 0.00 0.00 33.01 33.09 1jbs s GLN 9 CO 0.31 0.17 1.55 -1.17 -2.12 0.00 0.00 175.29 174.03 1jbs s LEU 10 N -0.39 3.44 -0.11 2.90 2.96 -1.26 -0.02 118.68 126.21 1jbs s LEU 10 Ca 0.02 0.59 -0.30 0.00 -0.22 0.00 0.00 54.13 54.22 1jbs s LEU 10 Cb -0.04 -3.16 -0.02 0.00 0.50 0.00 0.00 46.19 43.46 1jbs s LEU 10 CO -0.00 -1.75 1.25 0.21 -1.32 0.00 0.00 176.35 174.74 1jbs s ASN 11 N 5.16 6.98 0.17 3.68 3.84 -0.74 -4.92 114.94 129.11 1jbs s ASN 11 Ca 0.61 1.78 -0.13 0.00 0.21 0.00 0.00 52.86 55.33 1jbs s ASN 11 Cb -0.14 -2.55 0.06 0.00 -0.55 0.00 0.00 41.25 38.08 1jbs s ASN 11 CO 0.28 -0.69 1.74 -0.65 -2.79 0.00 0.00 177.10 174.99 1jbs h PRO 12 N 7.91 0.82 -0.26 0.43 0.11 -1.93 0.82 132.00 139.90 1jbs h PRO 12 Ca -0.30 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1jbs h PRO 12 Cb 1.13 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1jbs h PRO 12 CO 0.93 0.68 0.06 0.87 -0.21 0.00 0.00 178.00 180.32 1jbs h LYS 13 N 0.76 0.37 -0.05 1.05 1.57 -1.96 -2.56 116.57 115.75 1jbs h LYS 13 Ca 0.19 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1jbs h LYS 13 Cb 0.14 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1jbs h LYS 13 CO -0.02 0.35 0.00 0.25 -0.57 0.00 0.00 179.45 179.46 1jbs n THR 14 N -4.38 0.06 -1.62 -0.16 -2.24 -1.19 -4.96 114.28 99.79 1jbs n THR 14 Ca 0.01 -0.53 -0.03 0.00 -2.27 0.00 0.00 64.05 61.23 1jbs n THR 14 Cb 0.16 1.27 -0.01 0.00 -2.10 0.00 0.00 70.33 69.66 1jbs n THR 14 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jbs n ASN 15 N 0.88 -1.20 -4.40 3.42 4.05 0.28 -4.90 115.26 113.40 1jbs n ASN 15 Ca 0.10 0.21 -0.29 0.00 0.45 0.00 0.00 54.58 55.04 1jbs n ASN 15 Cb 0.40 -1.34 -0.13 0.00 1.23 0.00 0.00 39.78 39.94 1jbs n ASN 15 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 177.26 172.62 1jbs s LYS 16 N -3.30 1.42 -0.09 1.20 0.00 -1.19 -4.91 119.74 112.86 1jbs s LYS 16 Ca 0.00 -1.35 -0.30 0.00 0.00 0.00 0.00 55.97 54.33 1jbs s LYS 16 Cb 0.00 -1.91 -0.02 0.00 0.00 0.00 0.00 37.83 35.90 1jbs s LYS 16 CO 0.00 0.45 1.16 -1.58 0.00 0.00 0.00 175.35 175.38 1jbs s TRP 17 N -1.08 3.23 0.12 1.78 0.52 -1.26 -1.79 118.94 120.45 1jbs s TRP 17 Ca 0.14 1.29 0.09 0.00 0.02 0.00 0.00 56.10 57.65 1jbs s TRP 17 Cb -0.10 -3.37 -0.04 0.00 -1.15 0.00 0.00 33.47 28.81 1jbs s TRP 17 CO 0.06 -1.07 -0.21 -1.21 0.02 0.00 0.00 176.95 174.54 1jbs s GLU 18 N 2.40 1.68 -0.15 4.98 2.02 0.98 -4.81 118.70 125.80 1jbs s GLU 18 Ca 0.53 -1.22 -0.29 0.00 0.02 0.00 0.00 54.97 54.01 1jbs s GLU 18 Cb -0.22 -2.05 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 1jbs s GLU 18 CO 0.19 0.47 1.23 -0.51 0.02 0.00 0.00 175.26 176.67 1jbs s ASP 19 N -2.09 6.98 -0.19 -0.19 -0.00 -1.26 0.43 116.67 120.34 1jbs s ASP 19 Ca 0.17 1.69 -0.04 0.00 -0.00 0.00 0.00 52.55 54.37 1jbs s ASP 19 Cb -0.10 -2.54 -0.02 0.00 -0.00 0.00 0.00 42.92 40.25 1jbs s ASP 19 CO 0.09 -0.72 -0.03 -0.54 -0.00 0.00 0.00 175.17 173.97 1jbs s LYS 20 N 3.23 3.54 -0.22 8.23 -0.14 0.11 -4.93 119.74 129.56 1jbs s LYS 20 Ca 0.54 -0.56 -0.23 0.00 -1.36 0.00 0.00 55.97 54.35 1jbs s LYS 20 Cb -0.22 -2.99 -0.01 0.00 -1.68 0.00 0.00 37.83 32.93 1jbs s LYS 20 CO 0.15 0.02 0.77 0.50 -0.76 0.00 0.00 175.35 176.03 1jbs s ARG 21 N 0.95 4.20 -0.12 1.68 3.52 -1.26 -0.52 118.95 127.39 1jbs s ARG 21 Ca 0.00 0.84 0.03 0.00 -0.13 0.00 0.00 55.73 56.48 1jbs s ARG 21 Cb -0.15 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.63 1jbs s ARG 21 CO 0.01 -0.42 -0.23 -0.51 -0.81 0.00 0.00 175.30 173.34 1jbs s LEU 22 N 2.51 2.11 -0.16 -0.88 1.43 0.12 -4.96 118.68 118.85 1jbs s LEU 22 Ca 0.33 -0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 1jbs s LEU 22 Cb -0.16 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 1jbs s LEU 22 CO 0.09 0.13 0.03 -0.76 0.23 0.00 0.00 176.35 176.06 1jbs s LEU 23 N 0.54 3.65 -0.02 1.79 1.43 -1.26 -0.14 118.68 124.67 1jbs s LEU 23 Ca -0.14 0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 1jbs s LEU 23 Cb -0.17 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 1jbs s LEU 23 CO 0.04 0.22 -0.20 -0.31 0.23 0.00 0.00 176.35 176.34 1jbs s TYR 24 N 0.09 1.77 -0.25 0.29 1.51 0.17 -4.32 117.35 116.61 1jbs s TYR 24 Ca 0.03 -0.35 -0.20 0.00 -1.01 0.00 0.00 57.07 55.54 1jbs s TYR 24 Cb -0.13 -1.14 -0.02 0.00 -0.11 0.00 0.00 41.96 40.56 1jbs s TYR 24 CO 0.01 -0.05 0.63 0.45 -1.11 0.00 0.00 175.55 175.48 1jbs s SER 25 N -0.41 6.58 0.28 2.29 0.15 -1.26 0.46 113.70 121.77 1jbs s SER 25 Ca 0.06 0.71 -0.01 0.00 0.70 0.00 0.00 55.95 57.41 1jbs s SER 25 Cb -0.08 -2.34 0.46 0.00 -1.71 0.00 0.00 66.02 62.35 1jbs s SER 25 CO -0.00 -0.36 1.88 -0.61 1.20 0.00 0.00 173.24 175.34 1jbs h GLN 26 N 7.89 1.09 -0.63 5.44 4.15 -1.67 0.11 115.11 131.48 1jbs h GLN 26 Ca -0.27 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1jbs h GLN 26 Cb 1.12 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.54 1jbs h GLN 26 CO 0.77 0.72 0.41 0.00 -1.93 0.00 0.00 178.83 178.80 1jbs h ALA 27 N 1.48 0.80 -0.38 3.38 0.00 -1.93 0.11 119.26 122.72 1jbs h ALA 27 Ca 0.44 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.16 1jbs h ALA 27 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jbs h ALA 27 CO -0.19 0.24 -0.34 0.87 0.00 0.00 0.00 179.25 179.82 1jbs h LYS 28 N 0.86 0.87 -0.37 0.00 1.57 -1.67 -1.38 116.57 116.45 1jbs h LYS 28 Ca 0.23 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1jbs h LYS 28 Cb -0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1jbs h LYS 28 CO -0.05 1.08 0.21 0.00 -0.57 0.00 0.00 179.45 180.12 1jbs h ALA 29 N 0.88 0.47 -0.40 3.86 0.00 -0.61 -0.22 119.26 123.24 1jbs h ALA 29 Ca 0.07 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1jbs h ALA 29 Cb 0.91 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1jbs h ALA 29 CO 0.08 -0.01 0.21 0.93 0.00 0.00 0.00 179.25 180.46 1jbs h GLU 30 N 0.47 0.42 -0.84 0.00 5.08 -0.66 -0.94 114.58 118.11 1jbs h GLU 30 Ca 0.13 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1jbs h GLU 30 Cb 0.04 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1jbs h GLU 30 CO -0.02 0.28 0.55 1.03 -1.00 0.00 0.00 179.01 179.84 1jbs h SER 31 N 0.43 0.82 -0.77 1.42 0.87 -0.79 -0.98 113.55 114.55 1jbs h SER 31 Ca 0.16 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1jbs h SER 31 Cb 0.05 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 1jbs h SER 31 CO -0.10 0.53 0.51 0.78 -0.53 0.00 0.00 176.83 178.02 1jbs h ASN 32 N 0.93 0.88 0.41 6.23 -0.26 0.25 -1.64 115.58 122.39 1jbs h ASN 32 Ca 0.36 -0.02 -0.08 0.00 -0.56 0.00 0.00 56.30 56.00 1jbs h ASN 32 Cb 0.21 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 1jbs h ASN 32 CO -0.13 0.64 -0.36 0.77 -1.06 0.00 0.00 177.43 177.29 1jbs h SER 33 N 1.04 0.00 0.66 5.81 4.64 -0.22 -2.30 113.55 123.18 1jbs h SER 33 Ca 0.28 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.38 1jbs h SER 33 Cb -0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1jbs h SER 33 CO -0.06 0.36 -0.99 0.45 -0.87 0.00 0.00 176.83 175.72 1jbs h HIS 34 N 0.00 0.30 0.00 4.77 3.86 -0.80 -3.22 115.15 120.06 1jbs h HIS 34 Ca -0.00 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 1jbs h HIS 34 Cb 0.66 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.11 1jbs h HIS 34 CO 0.00 1.06 -0.06 0.45 0.86 0.00 0.00 177.93 180.23 1jbs h HIS 35 N 0.09 0.00 -3.84 2.45 3.86 -1.04 -3.44 115.15 113.22 1jbs h HIS 35 Ca -0.06 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.68 1jbs h HIS 35 Cb 1.66 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.11 1jbs h HIS 35 CO 0.03 0.06 0.19 0.00 0.86 0.00 0.00 177.93 179.08 1jbs s ALA 36 N -3.38 3.22 0.62 2.45 0.00 -0.89 -5.04 121.76 118.73 1jbs s ALA 36 Ca 0.04 0.19 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 1jbs s ALA 36 Cb 0.07 -2.92 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 1jbs s ALA 36 CO 0.63 0.26 1.13 -1.25 0.00 0.00 0.00 175.76 176.53 1jbs s PRO 37 N -2.99 2.97 -1.28 0.00 0.04 -1.26 -4.94 135.00 127.54 1jbs s PRO 37 Ca 0.56 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 63.03 1jbs s PRO 37 Cb -0.10 -1.96 0.15 0.00 0.04 0.00 0.00 34.50 32.63 1jbs s PRO 37 CO 0.16 -1.14 1.80 -0.11 0.04 0.00 0.00 177.00 177.75 1jbs n LEU 38 N -1.95 6.24 -4.10 -3.56 7.94 -1.26 -4.73 117.00 115.58 1jbs n LEU 38 Ca 0.11 -4.52 -0.10 0.00 -1.11 0.00 0.00 56.01 50.39 1jbs n LEU 38 Cb 0.51 -1.54 -0.09 0.00 0.53 0.00 0.00 43.42 42.83 1jbs n LEU 38 CO 0.45 1.14 -0.16 -0.94 -1.11 0.00 0.00 177.39 176.78 1jbs s SER 39 N 1.72 0.15 -0.46 1.96 1.04 -1.26 -5.10 113.70 111.74 1jbs s SER 39 Ca 0.42 -1.15 0.02 0.00 0.48 0.00 0.00 55.95 55.72 1jbs s SER 39 Cb 0.07 0.39 0.12 0.00 0.10 0.00 0.00 66.02 66.70 1jbs s SER 39 CO -0.00 -0.85 0.22 -0.62 0.98 0.00 0.00 173.24 172.96 1jbs s ASP 40 N -3.06 4.79 0.06 7.02 2.15 -1.26 -4.53 116.67 121.84 1jbs s ASP 40 Ca 0.27 -2.55 0.00 0.00 0.43 0.00 0.00 52.55 50.70 1jbs s ASP 40 Cb 0.05 -1.71 0.00 0.00 -0.30 0.00 0.00 42.92 40.96 1jbs s ASP 40 CO 0.05 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 1jbs n GLY 41 N 3.79 -0.57 2.46 2.66 0.00 -0.37 -4.91 105.19 108.25 1jbs n GLY 41 Ca 0.04 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 1jbs n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jbs n LYS 42 N 0.00 -1.01 -4.43 1.61 4.01 -1.26 -4.84 118.16 112.24 1jbs n LYS 42 Ca 0.00 0.72 -0.23 0.00 -0.51 0.00 0.00 58.31 58.29 1jbs n LYS 42 Cb 0.00 -4.72 -0.10 0.00 -0.51 0.00 0.00 35.03 29.70 1jbs n LYS 42 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1jbs s THR 43 N -2.08 2.24 0.31 -0.18 -4.23 -1.26 -5.02 115.64 105.41 1jbs s THR 43 Ca 0.00 -2.30 0.05 0.00 -1.18 0.00 0.00 61.69 58.26 1jbs s THR 43 Cb 0.00 -2.19 0.30 0.00 1.34 0.00 0.00 72.50 71.95 1jbs s THR 43 CO 0.00 -0.42 1.85 1.23 -0.54 0.00 0.00 174.62 176.74 1jbs h GLY 44 N 2.48 1.47 1.57 3.99 0.00 -1.67 -1.91 103.07 109.00 1jbs h GLY 44 Ca -0.40 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1jbs h GLY 44 CO 0.59 0.12 -0.43 1.48 0.00 0.00 0.00 176.54 178.31 1jbs h SER 45 N 0.87 0.00 0.00 0.19 4.64 -1.26 -3.33 113.55 114.66 1jbs h SER 45 Ca 0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1jbs h SER 45 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1jbs h SER 45 CO -0.25 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.18 1jbs n SER 46 N -2.90 0.00 -4.82 4.97 3.41 -0.72 -5.05 113.62 108.51 1jbs n SER 46 Ca 0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.32 1jbs n SER 46 Cb 0.54 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 1jbs n SER 46 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1jbs s TYR 47 N -2.37 3.30 0.65 7.33 2.02 -1.26 -3.95 117.35 123.08 1jbs s TYR 47 Ca 0.00 0.15 -0.11 0.00 -0.37 0.00 0.00 57.07 56.74 1jbs s TYR 47 Cb 0.00 -1.68 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 1jbs s TYR 47 CO 0.00 0.55 1.05 -1.25 -1.57 0.00 0.00 175.55 174.32 1jbs s PRO 48 N -2.30 3.30 0.12 -1.71 0.04 -1.26 -4.76 135.00 128.43 1jbs s PRO 48 Ca 0.30 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 1jbs s PRO 48 Cb -0.12 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.38 1jbs s PRO 48 CO 0.22 -0.79 0.29 -3.38 0.04 0.00 0.00 177.00 173.38 1jbs s HIS 49 N -3.17 0.08 -0.05 0.56 -3.43 -1.05 -1.23 115.29 106.99 1jbs s HIS 49 Ca 0.56 -0.46 -0.38 0.00 -0.80 0.00 0.00 55.06 53.98 1jbs s HIS 49 Cb -0.12 0.06 -0.16 0.00 -1.43 0.00 0.00 32.58 30.93 1jbs s HIS 49 CO 0.54 -0.64 1.51 1.87 -2.00 0.00 0.00 174.74 176.02 1jbs n TRP 50 N -0.15 1.76 -3.58 0.38 -0.00 -1.26 -1.25 117.44 113.33 1jbs n TRP 50 Ca -0.14 0.57 -0.41 0.00 -0.00 0.00 0.00 57.50 57.53 1jbs n TRP 50 Cb 0.63 -2.39 -0.10 0.00 -0.00 0.00 0.00 31.31 29.44 1jbs n TRP 50 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 1jbs s PHE 51 N 1.74 3.29 0.36 5.87 5.36 0.19 -4.79 117.98 130.01 1jbs s PHE 51 Ca 0.90 -1.27 0.31 0.00 -0.96 0.00 0.00 56.93 55.91 1jbs s PHE 51 Cb -0.98 -2.81 1.55 0.00 -0.34 0.00 0.00 43.02 40.44 1jbs s PHE 51 CO 0.54 -0.78 2.08 1.79 -1.46 0.00 0.00 175.22 177.39 1jbs h THR 52 N 5.98 0.34 -5.21 0.12 1.35 -1.88 -3.36 112.91 110.24 1jbs h THR 52 Ca -0.24 -0.49 -0.27 0.00 -0.55 0.00 0.00 66.41 64.85 1jbs h THR 52 Cb 1.09 1.36 -0.08 0.00 -1.73 0.00 0.00 68.15 68.79 1jbs h THR 52 CO 0.74 0.08 -0.39 -3.20 -0.25 0.00 0.00 175.52 172.50 1jbs n ASN 53 N -3.40 -2.73 0.00 5.36 5.15 -1.26 -0.79 115.26 117.58 1jbs n ASN 53 Ca -0.01 -0.12 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 1jbs n ASN 53 Cb 0.24 -2.34 0.00 0.00 -0.53 0.00 0.00 39.78 37.15 1jbs n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jbs n GLY 54 N -0.89 0.73 3.86 8.20 0.00 -1.26 -4.21 105.19 111.63 1jbs n GLY 54 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1jbs n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jbs s TYR 55 N -2.85 2.64 0.31 1.61 2.02 0.03 -0.55 117.35 120.55 1jbs s TYR 55 Ca 0.00 -0.52 0.04 0.00 -0.37 0.00 0.00 57.07 56.22 1jbs s TYR 55 Cb 0.00 -2.14 0.04 0.00 -0.40 0.00 0.00 41.96 39.47 1jbs s TYR 55 CO 0.00 -0.11 0.35 -0.40 -1.57 0.00 0.00 175.55 173.83 1jbs n ASP 56 N -1.52 1.50 0.31 2.29 5.68 -0.15 -4.83 116.55 119.83 1jbs n ASP 56 Ca 0.03 -1.93 0.20 0.00 -0.50 0.00 0.00 54.79 52.59 1jbs n ASP 56 Cb 0.62 -0.14 1.01 0.00 -1.14 0.00 0.00 41.12 41.47 1jbs n ASP 56 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1jbs h GLY 57 N 0.18 0.00 -3.91 6.12 0.00 -1.89 -2.89 103.07 100.68 1jbs h GLY 57 Ca -0.17 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.59 1jbs h GLY 57 CO 0.25 0.00 0.69 0.70 0.00 0.00 0.00 176.54 178.18 1jbs n ASN 58 N -3.21 5.48 -1.20 0.19 3.02 -1.26 -1.40 115.26 116.88 1jbs n ASN 58 Ca -0.02 -3.70 -0.14 0.00 -0.03 0.00 0.00 54.58 50.68 1jbs n ASN 58 Cb 0.15 -0.88 -0.06 0.00 -0.61 0.00 0.00 39.78 38.38 1jbs n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jbs n GLY 59 N -1.04 1.38 3.69 7.41 0.00 -0.20 -4.93 105.19 111.49 1jbs n GLY 59 Ca 0.60 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.23 1jbs n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jbs s LYS 60 N -3.17 4.29 0.10 1.61 1.02 -1.26 -4.79 119.74 117.53 1jbs s LYS 60 Ca 0.00 0.60 -0.30 0.00 0.02 0.00 0.00 55.97 56.29 1jbs s LYS 60 Cb 0.00 -3.51 -0.06 0.00 -0.52 0.00 0.00 37.83 33.74 1jbs s LYS 60 CO 0.00 -0.07 1.16 -1.17 -0.92 0.00 0.00 175.35 174.36 1jbs s LEU 61 N 1.33 4.40 0.20 3.17 2.96 -1.26 -0.97 118.68 128.50 1jbs s LEU 61 Ca 0.29 2.03 -0.30 0.00 -0.22 0.00 0.00 54.13 55.93 1jbs s LEU 61 Cb -0.16 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 42.85 1jbs s LEU 61 CO 0.12 -0.39 1.38 -0.63 -1.32 0.00 0.00 176.35 175.50 1jbs s ILE 62 N 0.66 3.01 0.38 6.68 1.01 0.28 -4.92 121.20 128.30 1jbs s ILE 62 Ca 0.56 0.81 -0.26 0.00 0.00 0.00 0.00 60.65 61.76 1jbs s ILE 62 Cb -0.29 -3.52 -0.11 0.00 0.01 0.00 0.00 42.46 38.54 1jbs s ILE 62 CO 0.31 0.11 1.12 1.17 0.00 0.00 0.00 174.94 177.65 1jbs n LYS 63 N 2.83 1.62 -3.22 2.79 3.00 -1.26 -2.55 118.16 121.37 1jbs n LYS 63 Ca 0.08 0.57 -0.18 0.00 -0.00 0.00 0.00 58.31 58.78 1jbs n LYS 63 Cb 0.42 -2.13 0.05 0.00 0.00 0.00 0.00 35.03 33.37 1jbs n LYS 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jbs n GLY 64 N 1.03 -0.18 2.94 3.14 0.00 -1.26 -5.02 105.19 105.84 1jbs n GLY 64 Ca 0.08 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1jbs n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jbs s ARG 65 N -5.87 0.49 -0.27 1.61 1.81 -1.06 -5.11 118.95 110.55 1jbs s ARG 65 Ca 0.40 -0.15 0.00 0.00 -1.72 0.00 0.00 55.73 54.26 1jbs s ARG 65 Cb -0.18 -0.50 0.05 0.00 -0.45 0.00 0.00 34.95 33.88 1jbs s ARG 65 CO 0.49 0.06 -0.06 0.99 -0.68 0.00 0.00 175.30 176.10 1jbs s THR 66 N 0.15 2.59 0.89 0.02 2.01 -1.26 -4.88 115.64 115.16 1jbs s THR 66 Ca -0.01 -1.43 -0.11 0.00 0.31 0.00 0.00 61.69 60.45 1jbs s THR 66 Cb -0.05 -2.47 0.13 0.00 0.01 0.00 0.00 72.50 70.12 1jbs s THR 66 CO -0.00 -0.01 1.12 -2.84 -0.69 0.00 0.00 174.62 172.19 1jbs s PRO 67 N 1.20 1.26 0.11 4.92 0.02 -1.26 -4.94 135.00 136.30 1jbs s PRO 67 Ca -0.06 1.31 -0.30 0.00 0.02 0.00 0.00 61.00 61.97 1jbs s PRO 67 Cb -0.19 -1.77 -0.06 0.00 0.02 0.00 0.00 34.50 32.50 1jbs s PRO 67 CO -0.04 -2.38 1.06 0.42 -0.33 0.00 0.00 177.00 175.73 1jbs s ILE 68 N -2.74 4.23 -0.37 2.83 1.01 -1.26 -4.99 121.20 119.91 1jbs s ILE 68 Ca 0.65 1.78 -0.22 0.00 0.00 0.00 0.00 60.65 62.86 1jbs s ILE 68 Cb -0.21 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.13 1jbs s ILE 68 CO 0.58 0.24 0.72 -0.54 0.00 0.00 0.00 174.94 175.94 1jbs s LYS 69 N 0.22 3.66 0.09 2.79 1.02 -1.26 -4.93 119.74 121.34 1jbs s LYS 69 Ca 0.51 0.13 0.16 0.00 0.02 0.00 0.00 55.97 56.79 1jbs s LYS 69 Cb -0.26 -3.83 -0.11 0.00 -0.52 0.00 0.00 37.83 33.10 1jbs s LYS 69 CO 0.31 -0.85 0.93 0.74 -0.92 0.00 0.00 175.35 175.56 1jbs h PHE 70 N 8.55 0.00 0.00 3.18 0.04 -1.92 -3.49 116.94 123.31 1jbs h PHE 70 Ca -0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.52 1jbs h PHE 70 Cb 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1jbs h PHE 70 CO 0.77 0.61 0.00 0.41 -0.60 0.00 0.00 178.31 179.50 1jbs n GLY 71 N 1.38 0.72 2.71 -1.45 0.00 -1.26 -4.95 105.19 102.33 1jbs n GLY 71 Ca -0.08 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 1jbs n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jbs s LYS 72 N -0.83 0.25 0.21 1.61 1.02 -1.26 -5.05 119.74 115.68 1jbs s LYS 72 Ca 0.00 0.17 -0.15 0.00 0.02 0.00 0.00 55.97 56.01 1jbs s LYS 72 Cb 0.00 -0.94 0.23 0.00 -0.52 0.00 0.00 37.83 36.60 1jbs s LYS 72 CO 0.00 -0.38 1.40 0.00 -0.92 0.00 0.00 175.35 175.45 1jbs n ALA 73 N 5.22 -0.09 -0.23 5.17 0.00 -1.26 0.44 120.51 129.76 1jbs n ALA 73 Ca -0.05 0.90 0.14 0.00 0.00 0.00 0.00 53.44 54.43 1jbs n ALA 73 Cb 0.50 -0.41 0.44 0.00 0.00 0.00 0.00 19.45 19.97 1jbs n ALA 73 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1jbs h ASP 74 N 0.00 0.53 1.28 0.00 5.19 -1.97 -1.57 116.42 119.88 1jbs h ASP 74 Ca 0.32 0.03 -0.14 0.00 -0.62 0.00 0.00 57.03 56.63 1jbs h ASP 74 Cb 0.55 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 1jbs h ASP 74 CO -0.90 0.26 -0.74 0.00 -3.12 0.00 0.00 179.24 174.74 1jbs n ASP 76 N -3.20 2.35 -4.75 0.00 8.00 -0.51 -4.83 116.55 113.61 1jbs n ASP 76 Ca -0.00 -1.72 -0.40 0.00 0.71 0.00 0.00 54.79 53.38 1jbs n ASP 76 Cb 0.79 0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.95 1jbs n ASP 76 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1jbs s ARG 77 N -2.13 4.69 0.42 -1.24 3.52 -0.66 -4.97 118.95 118.57 1jbs s ARG 77 Ca 0.28 1.68 -0.25 0.00 -0.13 0.00 0.00 55.73 57.31 1jbs s ARG 77 Cb 0.20 -3.25 -0.10 0.00 -1.56 0.00 0.00 34.95 30.24 1jbs s ARG 77 CO 0.38 0.26 1.12 -2.30 -0.81 0.00 0.00 175.30 173.95 1jbs n PRO 78 N 1.65 1.58 -2.11 5.12 -0.02 -1.26 -4.93 135.00 135.02 1jbs n PRO 78 Ca -0.00 0.56 -0.29 0.00 -2.02 0.00 0.00 63.50 61.76 1jbs n PRO 78 Cb 0.46 -2.18 0.04 0.00 -0.02 0.00 0.00 33.50 31.80 1jbs n PRO 78 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1jbs s PRO 79 N -2.09 2.94 -0.32 0.52 0.04 -1.26 -4.84 135.00 129.99 1jbs s PRO 79 Ca 0.62 0.28 0.01 0.00 0.04 0.00 0.00 61.00 61.95 1jbs s PRO 79 Cb -0.54 -2.13 0.10 0.00 0.04 0.00 0.00 34.50 31.96 1jbs s PRO 79 CO 0.57 -0.85 0.09 0.21 0.04 0.00 0.00 177.00 177.05 1jbs s LYS 80 N -5.19 0.94 -0.24 4.56 2.47 0.44 -1.04 119.74 121.69 1jbs s LYS 80 Ca 0.56 -1.32 0.01 0.00 -1.56 0.00 0.00 55.97 53.66 1jbs s LYS 80 Cb -0.11 -2.35 0.06 0.00 -1.46 0.00 0.00 37.83 33.97 1jbs s LYS 80 CO 0.49 -0.98 -0.05 -1.58 0.16 0.00 0.00 175.35 173.39 1jbs s HIS 81 N 1.39 2.53 0.80 4.03 5.65 -0.49 -1.59 115.29 127.61 1jbs s HIS 81 Ca 0.10 -1.87 -0.11 0.00 0.25 0.00 0.00 55.06 53.43 1jbs s HIS 81 Cb -0.18 -1.67 0.09 0.00 -1.18 0.00 0.00 32.58 29.64 1jbs s HIS 81 CO -0.20 -0.80 1.16 -1.54 -0.65 0.00 0.00 174.74 172.72 1jbs s SER 82 N 1.35 4.44 0.15 9.88 1.04 -1.26 -4.46 113.70 124.84 1jbs s SER 82 Ca -0.05 0.68 -0.23 0.00 0.48 0.00 0.00 55.95 56.83 1jbs s SER 82 Cb -0.19 -1.16 0.01 0.00 0.10 0.00 0.00 66.02 64.77 1jbs s SER 82 CO -0.07 -1.92 1.28 1.67 0.98 0.00 0.00 173.24 175.18 1jbs n GLN 83 N -3.29 -0.32 -0.03 4.02 -0.06 -1.26 0.20 117.38 116.64 1jbs n GLN 83 Ca 0.09 1.26 0.13 0.00 -2.00 0.00 0.00 57.00 56.47 1jbs n GLN 83 Cb 0.61 -1.85 0.44 0.00 -4.06 0.00 0.00 30.24 25.38 1jbs n GLN 83 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 1jbs n ASN 84 N -5.08 1.69 -1.87 1.69 2.04 -1.26 -4.92 115.26 107.56 1jbs n ASN 84 Ca 0.03 -1.61 -0.20 0.00 -0.44 0.00 0.00 54.58 52.36 1jbs n ASN 84 Cb 0.24 -0.04 -0.05 0.00 -2.53 0.00 0.00 39.78 37.40 1jbs n ASN 84 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1jbs n GLY 85 N 1.18 0.87 0.03 4.83 0.00 0.13 -4.64 105.19 107.59 1jbs n GLY 85 Ca 0.18 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.16 1jbs n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jbs n MET 86 N -2.64 1.95 -1.50 1.61 2.00 -1.26 -4.71 117.12 112.57 1jbs n MET 86 Ca -0.22 -1.33 -0.37 0.00 0.00 0.00 0.00 57.70 55.78 1jbs n MET 86 Cb 0.67 -0.90 0.06 0.00 0.00 0.00 0.00 33.22 33.05 1jbs n MET 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jbs n GLY 87 N -0.45 -0.60 0.64 3.03 0.00 -1.26 -4.83 105.19 101.73 1jbs n GLY 87 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1jbs n GLY 87 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jbs n LYS 88 N -1.15 0.98 0.00 1.61 2.85 -1.26 -2.52 118.16 118.67 1jbs n LYS 88 Ca 0.13 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 1jbs n LYS 88 Cb 0.48 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 1jbs n LYS 88 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1jbs n ASP 89 N 0.15 0.00 -4.80 -5.58 5.75 -1.26 -5.12 116.55 105.69 1jbs n ASP 89 Ca 0.00 -1.00 -0.35 0.00 -0.01 0.00 0.00 54.79 53.43 1jbs n ASP 89 Cb 0.31 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.34 1jbs n ASP 89 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1jbs s ASP 90 N 0.00 7.04 -0.24 -1.12 1.01 -1.05 -4.92 116.67 117.40 1jbs s ASP 90 Ca 0.00 1.81 -0.05 0.00 0.71 0.00 0.00 52.55 55.02 1jbs s ASP 90 Cb 0.00 -2.56 0.12 0.00 1.01 0.00 0.00 42.92 41.49 1jbs s ASP 90 CO 0.00 -0.29 0.44 -1.38 0.21 0.00 0.00 175.17 174.15 1jbs s HIS 91 N -1.88 -0.95 0.33 4.23 -3.43 -0.62 -4.35 115.29 108.62 1jbs s HIS 91 Ca 0.57 1.31 -0.18 0.00 -0.80 0.00 0.00 55.06 55.96 1jbs s HIS 91 Cb -0.15 0.25 0.04 0.00 -1.43 0.00 0.00 32.58 31.28 1jbs s HIS 91 CO 0.20 -0.64 0.74 1.52 -2.00 0.00 0.00 174.74 174.55 1jbs s TYR 92 N 2.63 0.02 0.03 0.38 -0.85 -1.17 -0.42 117.35 117.96 1jbs s TYR 92 Ca 0.07 -0.57 -0.13 0.00 -0.52 0.00 0.00 57.07 55.92 1jbs s TYR 92 Cb -0.14 0.73 -0.06 0.00 0.38 0.00 0.00 41.96 42.87 1jbs s TYR 92 CO -0.15 -1.39 0.41 -0.51 -1.52 0.00 0.00 175.55 172.39 1jbs s LEU 93 N -3.00 4.44 0.03 -3.49 1.43 -1.26 0.23 118.68 117.05 1jbs s LEU 93 Ca 0.14 0.92 0.06 0.00 -1.03 0.00 0.00 54.13 54.22 1jbs s LEU 93 Cb -0.05 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 1jbs s LEU 93 CO 0.10 0.27 -0.14 -0.76 0.23 0.00 0.00 176.35 176.05 1jbs s LEU 94 N -1.34 2.81 0.06 1.79 1.43 0.70 0.55 118.68 124.69 1jbs s LEU 94 Ca 0.27 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 53.11 1jbs s LEU 94 Cb -0.16 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1jbs s LEU 94 CO 0.15 0.26 -0.20 -1.83 0.23 0.00 0.00 176.35 174.96 1jbs s GLU 95 N -1.49 1.92 -0.13 1.70 -1.05 -0.38 -1.73 118.70 117.54 1jbs s GLU 95 Ca 0.16 -1.07 -0.12 0.00 -0.15 0.00 0.00 54.97 53.79 1jbs s GLU 95 Cb -0.11 -2.12 0.03 0.00 -0.44 0.00 0.00 34.13 31.50 1jbs s GLU 95 CO 0.07 0.52 0.34 0.12 0.95 0.00 0.00 175.26 177.26 1jbs s PHE 96 N -0.96 -0.38 0.30 4.83 5.36 -0.99 -2.53 117.98 123.62 1jbs s PHE 96 Ca 0.15 0.92 -0.29 0.00 -0.96 0.00 0.00 56.93 56.74 1jbs s PHE 96 Cb -0.10 0.13 -0.12 0.00 -0.34 0.00 0.00 43.02 42.58 1jbs s PHE 96 CO 0.06 -0.18 1.43 -2.30 -1.46 0.00 0.00 175.22 172.77 1jbs n PRO 97 N 2.89 2.33 -3.99 10.12 -0.02 -1.26 -0.68 135.00 144.40 1jbs n PRO 97 Ca -0.13 0.82 -0.12 0.00 -2.02 0.00 0.00 63.50 62.05 1jbs n PRO 97 Cb 0.58 -2.50 -0.13 0.00 -0.02 0.00 0.00 33.50 31.42 1jbs n PRO 97 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1jbs s THR 98 N -0.51 0.19 0.16 3.45 -1.32 -0.93 -4.63 115.64 112.06 1jbs s THR 98 Ca 0.61 -0.44 0.07 0.00 -1.21 0.00 0.00 61.69 60.73 1jbs s THR 98 Cb -0.56 -0.23 -0.04 0.00 -1.51 0.00 0.00 72.50 70.16 1jbs s THR 98 CO 0.55 -0.16 -0.16 -0.36 -2.21 0.00 0.00 174.62 172.29 1jbs s PHE 99 N -0.60 1.64 0.29 9.09 0.08 -1.26 -4.39 117.98 122.83 1jbs s PHE 99 Ca -0.05 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 56.48 1jbs s PHE 99 Cb -0.04 -0.81 0.58 0.00 -0.57 0.00 0.00 43.02 42.17 1jbs s PHE 99 CO -0.00 0.27 1.85 -1.35 -0.10 0.00 0.00 175.22 175.89 1jbs h PRO 100 N 3.11 0.94 0.00 0.24 0.11 -1.98 0.86 132.00 135.28 1jbs h PRO 100 Ca -0.40 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jbs h PRO 100 Cb 1.21 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1jbs h PRO 100 CO 0.55 0.62 0.00 -0.40 -0.21 0.00 0.00 178.00 178.56 1jbs n ASP 101 N -4.59 0.00 0.00 -2.05 5.68 -1.26 -4.69 116.55 109.63 1jbs n ASP 101 Ca 0.18 -0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 1jbs n ASP 101 Cb 0.35 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1jbs n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jbs n GLY 102 N 0.47 0.74 3.73 6.12 0.00 0.29 -5.00 105.19 111.54 1jbs n GLY 102 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1jbs n GLY 102 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1jbs s HIS 103 N -3.01 2.13 -0.09 1.61 -3.43 -1.26 -4.85 115.29 106.39 1jbs s HIS 103 Ca 0.00 1.59 -0.29 0.00 -0.80 0.00 0.00 55.06 55.56 1jbs s HIS 103 Cb 0.00 -3.44 -0.02 0.00 -1.43 0.00 0.00 32.58 27.70 1jbs s HIS 103 CO 0.00 -2.49 0.98 -0.51 -2.00 0.00 0.00 174.74 170.72 1jbs s ASP 104 N -2.09 7.24 0.36 7.38 1.01 -1.26 -4.60 116.67 124.71 1jbs s ASP 104 Ca 0.73 1.51 -0.28 0.00 0.71 0.00 0.00 52.55 55.23 1jbs s ASP 104 Cb -0.28 -2.55 -0.11 0.00 1.01 0.00 0.00 42.92 41.00 1jbs s ASP 104 CO 0.44 -0.40 1.43 -0.47 0.21 0.00 0.00 175.17 176.38 1jbs s TYR 105 N 1.83 2.72 -1.29 4.23 5.04 -1.26 -4.88 117.35 123.73 1jbs s TYR 105 Ca 0.48 1.24 -0.17 0.00 -2.44 0.00 0.00 57.07 56.19 1jbs s TYR 105 Cb -0.19 -3.92 0.09 0.00 0.35 0.00 0.00 41.96 38.30 1jbs s TYR 105 CO 0.19 -2.65 1.71 1.17 -1.34 0.00 0.00 175.55 174.63 1jbs n LYS 106 N 0.55 3.22 0.26 4.97 4.81 -1.26 -4.78 118.16 125.92 1jbs n LYS 106 Ca 0.01 -3.36 0.17 0.00 -0.87 0.00 0.00 58.31 54.26 1jbs n LYS 106 Cb 0.40 -3.37 0.90 0.00 0.02 0.00 0.00 35.03 32.98 1jbs n LYS 106 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1jbs h PHE 107 N 7.31 0.00 -0.01 5.64 -5.15 -1.90 -2.86 116.94 119.98 1jbs h PHE 107 Ca 0.43 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.20 1jbs h PHE 107 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.02 1jbs h PHE 107 CO 1.36 0.00 -0.37 -0.40 -2.00 0.00 0.00 178.31 176.89 1jbs n ASP 108 N -2.74 0.94 -4.72 -0.68 5.75 -1.26 -1.63 116.55 112.21 1jbs n ASP 108 Ca -0.02 -0.75 -0.36 0.00 -0.01 0.00 0.00 54.79 53.65 1jbs n ASP 108 Cb 0.10 0.23 -0.07 0.00 -1.03 0.00 0.00 41.12 40.34 1jbs n ASP 108 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1jbs s SER 109 N -2.66 6.36 -0.23 -1.12 0.15 -1.08 -3.94 113.70 111.18 1jbs s SER 109 Ca 0.19 0.42 -0.01 0.00 0.70 0.00 0.00 55.95 57.26 1jbs s SER 109 Cb 0.19 -2.16 -0.14 0.00 -1.71 0.00 0.00 66.02 62.20 1jbs s SER 109 CO 0.59 0.10 -0.22 1.17 1.20 0.00 0.00 173.24 176.08 1jbs n LYS 110 N 3.68 0.55 -3.69 5.44 4.81 -1.25 -3.17 118.16 124.54 1jbs n LYS 110 Ca -0.13 0.15 -0.28 0.00 -0.87 0.00 0.00 58.31 57.18 1jbs n LYS 110 Cb 0.52 -1.43 -0.16 0.00 0.02 0.00 0.00 35.03 33.98 1jbs n LYS 110 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1jbs s LYS 111 N -2.45 0.51 0.53 1.64 1.02 -1.26 -2.34 119.74 117.40 1jbs s LYS 111 Ca -0.31 -0.51 -0.10 0.00 0.02 0.00 0.00 55.97 55.07 1jbs s LYS 111 Cb 0.09 -1.91 -0.05 0.00 -0.52 0.00 0.00 37.83 35.44 1jbs s LYS 111 CO 0.50 -0.76 0.91 -1.25 -0.92 0.00 0.00 175.35 173.83 1jbs s PRO 112 N 1.89 3.66 -0.03 -1.68 0.04 -1.26 -5.14 135.00 132.48 1jbs s PRO 112 Ca 0.03 0.56 -0.03 0.00 0.04 0.00 0.00 61.00 61.60 1jbs s PRO 112 Cb -0.17 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1jbs s PRO 112 CO -0.15 -0.34 0.14 -1.59 0.04 0.00 0.00 177.00 175.10 1jbs s LYS 113 N -4.70 3.33 0.49 4.56 -2.85 -0.99 -4.86 119.74 114.73 1jbs s LYS 113 Ca 0.53 -0.33 -0.23 0.00 -1.00 0.00 0.00 55.97 54.93 1jbs s LYS 113 Cb -0.11 -3.04 -0.07 0.00 -2.06 0.00 0.00 37.83 32.56 1jbs s LYS 113 CO 0.45 0.69 1.31 -2.00 0.10 0.00 0.00 175.35 175.89 1jbs s GLU 114 N -1.69 3.51 -0.27 1.78 2.12 -1.26 -4.91 118.70 117.97 1jbs s GLU 114 Ca 0.23 2.13 -0.29 0.00 0.36 0.00 0.00 54.97 57.40 1jbs s GLU 114 Cb -0.12 -2.43 -0.02 0.00 0.26 0.00 0.00 34.13 31.82 1jbs s GLU 114 CO 0.14 -0.86 1.63 0.34 -0.54 0.00 0.00 175.26 175.97 1jbs s ASP 115 N -0.96 6.27 0.39 -1.70 -1.08 -1.26 -4.88 116.67 113.44 1jbs s ASP 115 Ca 0.66 1.45 0.27 0.00 -0.52 0.00 0.00 52.55 54.41 1jbs s ASP 115 Cb -0.37 -2.53 1.36 0.00 -1.46 0.00 0.00 42.92 39.92 1jbs s ASP 115 CO 0.46 -1.38 1.83 1.55 0.52 0.00 0.00 175.17 178.14 1jbs h PRO 116 N 11.19 0.00 0.00 4.34 0.13 -1.98 -3.49 132.00 142.20 1jbs h PRO 116 Ca -0.33 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.84 1jbs h PRO 116 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1jbs h PRO 116 CO 1.02 0.00 -0.05 0.41 -0.23 0.00 0.00 178.00 179.15 1jbs n GLY 117 N -0.83 -2.19 0.13 1.56 0.00 -1.26 -4.46 105.19 98.14 1jbs n GLY 117 Ca -0.01 -1.48 0.13 0.00 0.00 0.00 0.00 46.02 44.66 1jbs n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbs h PRO 118 N 0.00 0.00 -6.39 1.61 0.13 -1.90 -3.46 132.00 121.99 1jbs h PRO 118 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 1jbs h PRO 118 Cb 0.13 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.14 1jbs h PRO 118 CO 0.00 0.00 -0.68 0.00 -0.23 0.00 0.00 178.00 177.09 1jbs s ALA 119 N -3.16 3.14 0.02 -0.56 0.00 -1.26 -0.76 121.76 119.18 1jbs s ALA 119 Ca 0.08 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.75 1jbs s ALA 119 Cb 0.10 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 1jbs s ALA 119 CO 0.65 0.54 -0.08 1.03 0.00 0.00 0.00 175.76 177.90 1jbs s ARG 120 N -2.71 0.56 -0.14 0.00 1.81 0.83 -2.19 118.95 117.11 1jbs s ARG 120 Ca 0.26 -0.45 -0.16 0.00 -1.72 0.00 0.00 55.73 53.65 1jbs s ARG 120 Cb -0.10 -0.48 -0.04 0.00 -0.45 0.00 0.00 34.95 33.88 1jbs s ARG 120 CO 0.17 0.12 0.40 0.54 -0.68 0.00 0.00 175.30 175.85 1jbs s VAL 121 N -0.61 5.23 -0.20 3.52 0.11 0.15 -1.52 120.40 127.07 1jbs s VAL 121 Ca -0.02 0.78 -0.08 0.00 -2.93 0.00 0.00 61.98 59.73 1jbs s VAL 121 Cb -0.05 -3.74 -0.04 0.00 -1.53 0.00 0.00 36.38 31.01 1jbs s VAL 121 CO 0.00 0.34 0.08 -0.63 -3.33 0.00 0.00 175.10 171.57 1jbs s ILE 122 N 0.64 4.88 0.05 7.04 -1.09 0.30 -2.35 121.20 130.67 1jbs s ILE 122 Ca 0.22 0.00 -0.05 0.00 -2.23 0.00 0.00 60.65 58.59 1jbs s ILE 122 Cb -0.14 -3.22 -0.01 0.00 -1.58 0.00 0.00 42.46 37.50 1jbs s ILE 122 CO 0.08 0.43 0.10 -0.72 -1.23 0.00 0.00 174.94 173.59 1jbs s TYR 123 N 0.60 0.25 0.54 3.97 1.13 -0.71 -0.96 117.35 122.17 1jbs s TYR 123 Ca 0.04 -0.63 -0.16 0.00 -1.41 0.00 0.00 57.07 54.91 1jbs s TYR 123 Cb -0.13 -0.17 -0.07 0.00 -1.10 0.00 0.00 41.96 40.50 1jbs s TYR 123 CO 0.01 -0.41 1.01 0.95 -2.51 0.00 0.00 175.55 174.60 1jbs s THR 124 N -3.15 4.31 -0.12 -3.49 -4.23 -0.35 -0.21 115.64 108.39 1jbs s THR 124 Ca -0.00 1.10 -0.02 0.00 -1.18 0.00 0.00 61.69 61.59 1jbs s THR 124 Cb 0.02 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 1jbs s THR 124 CO -0.07 -0.64 -0.05 -0.47 -0.54 0.00 0.00 174.62 172.85 1jbs s TYR 125 N -2.57 2.99 -1.19 3.99 6.14 0.13 -0.99 117.35 125.85 1jbs s TYR 125 Ca 0.60 -0.19 0.13 0.00 0.64 0.00 0.00 57.07 58.25 1jbs s TYR 125 Cb -0.12 -1.86 0.32 0.00 0.42 0.00 0.00 41.96 40.72 1jbs s TYR 125 CO 0.33 0.10 1.24 -0.35 0.64 0.00 0.00 175.55 177.51 1jbs n PRO 126 N 3.04 2.52 0.00 4.97 -0.04 -1.26 -3.06 135.00 141.17 1jbs n PRO 126 Ca -0.18 -2.01 0.13 0.00 -0.04 0.00 0.00 63.50 61.40 1jbs n PRO 126 Cb 0.53 -1.31 0.38 0.00 -0.04 0.00 0.00 33.50 33.06 1jbs n PRO 126 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jbs n ASN 127 N 0.71 1.87 -3.80 3.54 5.03 -1.25 -4.97 115.26 116.39 1jbs n ASN 127 Ca 0.13 -1.57 -0.25 0.00 0.87 0.00 0.00 54.58 53.75 1jbs n ASN 127 Cb 0.44 0.03 0.01 0.00 -1.02 0.00 0.00 39.78 39.24 1jbs n ASN 127 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1jbs n LYS 128 N 0.40 -3.27 -2.70 3.52 5.02 -0.16 -4.92 118.16 116.04 1jbs n LYS 128 Ca 0.17 0.49 -0.42 0.00 -2.02 0.00 0.00 58.31 56.53 1jbs n LYS 128 Cb 0.42 -4.65 -0.03 0.00 -0.02 0.00 0.00 35.03 30.75 1jbs n LYS 128 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1jbs s VAL 129 N -3.74 4.82 0.22 -0.18 1.01 -1.25 -4.71 120.40 116.56 1jbs s VAL 129 Ca 0.12 2.05 -0.30 0.00 0.00 0.00 0.00 61.98 63.85 1jbs s VAL 129 Cb -0.04 -4.32 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 1jbs s VAL 129 CO 0.86 0.07 1.46 0.12 0.00 0.00 0.00 175.10 177.61 1jbs s PHE 130 N 1.56 3.05 -0.09 5.22 5.36 -1.26 -1.21 117.98 130.60 1jbs s PHE 130 Ca 0.50 0.95 -0.10 0.00 -0.96 0.00 0.00 56.93 57.31 1jbs s PHE 130 Cb -0.19 -3.83 -0.04 0.00 -0.34 0.00 0.00 43.02 38.61 1jbs s PHE 130 CO 0.22 -2.78 -0.21 0.00 -1.46 0.00 0.00 175.22 170.99 1jbs n GLY 132 N 2.20 -1.23 3.38 0.00 0.00 -1.11 -4.91 105.19 103.52 1jbs n GLY 132 Ca -0.14 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 1jbs n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jbs s ILE 133 N -2.49 3.10 0.19 -0.61 -1.09 -1.26 -0.54 121.20 118.50 1jbs s ILE 133 Ca 0.00 -0.65 0.07 0.00 -2.23 0.00 0.00 60.65 57.85 1jbs s ILE 133 Cb 0.00 -2.30 -0.05 0.00 -1.58 0.00 0.00 42.46 38.53 1jbs s ILE 133 CO 0.00 0.52 -0.14 0.68 -1.23 0.00 0.00 174.94 174.77 1jbs s VAL 134 N 0.35 1.68 0.07 2.92 -7.23 -0.58 -0.82 120.40 116.80 1jbs s VAL 134 Ca -0.11 -2.15 -0.22 0.00 -1.81 0.00 0.00 61.98 57.70 1jbs s VAL 134 Cb -0.16 -1.98 0.05 0.00 0.56 0.00 0.00 36.38 34.85 1jbs s VAL 134 CO 0.06 -0.57 0.52 0.00 -0.31 0.00 0.00 175.10 174.80 1jbs s ALA 135 N -2.87 -1.34 0.43 1.32 0.00 -0.39 -0.12 121.76 118.79 1jbs s ALA 135 Ca 0.21 0.53 -0.24 0.00 0.00 0.00 0.00 51.96 52.46 1jbs s ALA 135 Cb -0.01 0.49 -0.08 0.00 0.00 0.00 0.00 23.12 23.51 1jbs s ALA 135 CO 0.06 -0.56 1.13 -1.01 0.00 0.00 0.00 175.76 175.39 1jbs s HIS 136 N -2.77 3.03 0.07 0.00 3.76 0.06 -1.04 115.29 118.40 1jbs s HIS 136 Ca -0.04 1.57 -0.11 0.00 -0.15 0.00 0.00 55.06 56.33 1jbs s HIS 136 Cb -0.00 -3.31 -0.26 0.00 1.11 0.00 0.00 32.58 30.12 1jbs s HIS 136 CO -0.04 -1.22 1.14 1.96 -0.85 0.00 0.00 174.74 175.73 1jbs h GLN 137 N 2.30 0.52 -4.70 1.40 4.20 -1.82 -3.43 115.11 113.58 1jbs h GLN 137 Ca -0.49 -0.71 -0.61 0.00 0.06 0.00 0.00 58.65 56.90 1jbs h GLN 137 Cb 1.24 0.24 -0.36 0.00 0.30 0.00 0.00 27.48 28.89 1jbs h GLN 137 CO 0.61 1.31 -0.83 0.50 -0.67 0.00 0.00 178.83 179.75 1jbs s ARG 138 N -2.94 2.32 4.91 1.46 3.52 -1.26 -0.70 118.95 126.26 1jbs s ARG 138 Ca -0.08 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 54.86 1jbs s ARG 138 Cb 0.06 -2.23 0.00 0.00 -1.56 0.00 0.00 34.95 31.22 1jbs s ARG 138 CO 0.91 -0.28 0.00 0.41 -0.81 0.00 0.00 175.30 175.54 1jbs n GLY 139 N 4.73 2.44 2.15 8.12 0.00 -0.09 -3.33 105.19 119.21 1jbs n GLY 139 Ca -0.17 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 1jbs n GLY 139 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jbs n ASN 140 N -0.13 5.36 -3.90 1.61 5.03 -1.26 -4.56 115.26 117.40 1jbs n ASN 140 Ca 0.00 -3.75 -0.09 0.00 0.87 0.00 0.00 54.58 51.60 1jbs n ASN 140 Cb 0.00 -0.47 -0.06 0.00 -1.02 0.00 0.00 39.78 38.24 1jbs n ASN 140 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1jbs s GLN 141 N -3.64 1.28 0.00 3.52 0.74 -1.21 -4.97 119.66 115.38 1jbs s GLN 141 Ca 0.53 -1.10 0.00 0.00 0.05 0.00 0.00 55.36 54.84 1jbs s GLN 141 Cb 0.42 0.43 0.00 0.00 1.10 0.00 0.00 33.01 34.97 1jbs s GLN 141 CO -0.01 -0.51 0.00 0.41 -0.55 0.00 0.00 175.29 174.63 1jbs n GLY 142 N -0.28 -1.80 3.91 2.59 0.00 -1.26 -4.50 105.19 103.85 1jbs n GLY 142 Ca -0.07 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.64 1jbs n GLY 142 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jbs s ASP 143 N -4.00 4.47 -0.13 1.61 1.47 -1.26 -4.99 116.67 113.84 1jbs s ASP 143 Ca 0.00 0.63 -0.02 0.00 1.18 0.00 0.00 52.55 54.34 1jbs s ASP 143 Cb 0.00 -1.12 -0.02 0.00 -0.34 0.00 0.00 42.92 41.43 1jbs s ASP 143 CO 0.00 -1.89 -0.08 -0.76 0.68 0.00 0.00 175.17 173.12 1jbs s LEU 144 N -5.51 3.03 0.03 2.11 1.43 -1.26 -4.17 118.68 114.34 1jbs s LEU 144 Ca 0.63 -0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.61 1jbs s LEU 144 Cb -0.10 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1jbs s LEU 144 CO 0.48 0.19 -0.22 -0.13 0.23 0.00 0.00 176.35 176.90 1jbs s ARG 145 N 0.20 1.57 0.19 1.70 0.52 -0.21 -4.80 118.95 118.12 1jbs s ARG 145 Ca -0.05 -0.93 -0.33 0.00 -0.52 0.00 0.00 55.73 53.91 1jbs s ARG 145 Cb -0.14 -1.65 -0.13 0.00 0.52 0.00 0.00 34.95 33.55 1jbs s ARG 145 CO 0.04 0.43 1.59 -0.11 0.02 0.00 0.00 175.30 177.27 1jbs n LEU 146 N 2.02 3.39 -4.96 2.53 7.94 -1.26 -1.26 117.00 125.39 1jbs n LEU 146 Ca -0.17 1.09 -0.26 0.00 -1.11 0.00 0.00 56.01 55.56 1jbs n LEU 146 Cb 0.53 -1.47 0.13 0.00 0.53 0.00 0.00 43.42 43.14 1jbs n LEU 146 CO 0.23 -0.18 0.68 0.00 -1.11 0.00 0.00 177.39 177.01 1jbs s SER 148 N -4.77 6.22 0.00 0.00 1.04 -0.56 -4.89 113.70 110.74 1jbs s SER 148 Ca 0.68 0.08 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1jbs s SER 148 Cb -0.05 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1jbs s SER 148 CO 0.48 -0.00 0.00 0.00 0.98 0.00 0.00 173.24 174.69