#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 3.21 0.02 0.00 2.01 -1.26 -0.06 115.64 119.56 1jbs s THR 2 Ca 0.00 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.41 1jbs s THR 2 Cb 0.00 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1jbs s THR 2 CO 0.00 0.53 -0.02 0.26 -0.69 0.00 0.00 174.62 174.70 1jbs s TRP 3 N 0.13 2.99 -0.15 4.92 0.52 0.63 -4.49 118.94 123.48 1jbs s TRP 3 Ca -0.05 0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.09 1jbs s TRP 3 Cb -0.15 -1.62 0.00 0.00 -1.15 0.00 0.00 33.47 30.56 1jbs s TRP 3 CO 0.04 0.44 -0.17 0.99 0.02 0.00 0.00 176.95 178.27 1jbs s THR 4 N -1.10 2.45 -0.07 2.01 2.01 0.35 -0.00 115.64 121.28 1jbs s THR 4 Ca 0.20 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.40 1jbs s THR 4 Cb -0.11 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 1jbs s THR 4 CO 0.11 0.53 -0.21 0.00 -0.69 0.00 0.00 174.62 174.35 1jbs s ILE 6 N -0.19 4.84 -0.13 0.00 1.01 -1.26 -0.93 121.20 124.55 1jbs s ILE 6 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 1jbs s ILE 6 Cb -0.14 -3.27 0.04 0.00 0.01 0.00 0.00 42.46 39.10 1jbs s ILE 6 CO 0.03 0.32 -0.03 0.21 0.00 0.00 0.00 174.94 175.48 1jbs s ASN 7 N 1.44 2.28 -0.16 3.58 3.84 -0.34 -4.57 114.94 121.01 1jbs s ASN 7 Ca 0.06 -0.41 -0.29 0.00 0.21 0.00 0.00 52.86 52.43 1jbs s ASN 7 Cb -0.15 -0.69 -0.02 0.00 -0.55 0.00 0.00 41.25 39.83 1jbs s ASN 7 CO 0.06 -0.19 1.43 -1.58 -2.79 0.00 0.00 177.10 174.03 1jbs s GLN 8 N 1.80 4.11 0.01 0.43 0.74 0.76 -2.31 119.66 125.20 1jbs s GLN 8 Ca 0.03 1.75 0.00 0.00 0.05 0.00 0.00 55.36 57.19 1jbs s GLN 8 Cb -0.14 -3.88 -0.01 0.00 1.10 0.00 0.00 33.01 30.08 1jbs s GLN 8 CO -0.07 -0.89 -0.02 1.14 -0.55 0.00 0.00 175.29 174.90 1jbs s GLN 9 N 3.91 0.17 -0.93 1.67 -2.07 -0.62 0.69 119.66 122.48 1jbs s GLN 9 Ca 0.62 -0.27 -0.24 0.00 -1.82 0.00 0.00 55.36 53.65 1jbs s GLN 9 Cb -0.25 -0.01 0.04 0.00 -1.09 0.00 0.00 33.01 31.70 1jbs s GLN 9 CO 0.22 -0.01 1.42 -1.17 -1.32 0.00 0.00 175.29 174.44 1jbs s LEU 10 N -0.61 3.39 -0.44 2.60 2.96 -1.26 -0.92 118.68 124.39 1jbs s LEU 10 Ca -0.06 -1.11 -0.36 0.00 -0.22 0.00 0.00 54.13 52.37 1jbs s LEU 10 Cb -0.04 -2.57 -0.14 0.00 0.50 0.00 0.00 46.19 43.94 1jbs s LEU 10 CO -0.00 -1.66 2.23 -3.20 -1.32 0.00 0.00 176.35 172.40 1jbs n ASN 11 N 9.26 1.66 0.30 3.68 2.85 -1.07 -4.79 115.26 127.15 1jbs n ASN 11 Ca 0.24 0.40 0.16 0.00 -0.11 0.00 0.00 54.58 55.28 1jbs n ASN 11 Cb 0.50 -1.17 0.97 0.00 1.24 0.00 0.00 39.78 41.32 1jbs n ASN 11 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1jbs h PRO 12 N 11.98 0.00 -0.04 1.20 0.13 -1.92 0.57 132.00 143.92 1jbs h PRO 12 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1jbs h PRO 12 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1jbs h PRO 12 CO 1.07 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.47 1jbs n LYS 13 N -3.71 1.23 0.00 0.86 5.02 -1.26 -4.05 118.16 116.24 1jbs n LYS 13 Ca -0.03 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 55.92 1jbs n LYS 13 Cb 0.09 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1jbs n LYS 13 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1jbs n THR 14 N -0.49 0.00 -3.02 -0.18 -1.04 -0.56 -5.03 114.28 103.96 1jbs n THR 14 Ca 0.17 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.96 1jbs n THR 14 Cb 0.16 0.20 0.02 0.00 -1.82 0.00 0.00 70.33 68.89 1jbs n THR 14 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1jbs n ASN 15 N 0.00 -5.30 -3.92 8.00 4.05 0.19 -4.99 115.26 113.28 1jbs n ASN 15 Ca 0.00 -0.26 -0.20 0.00 0.45 0.00 0.00 54.58 54.57 1jbs n ASN 15 Cb 0.00 -4.33 -0.16 0.00 1.23 0.00 0.00 39.78 36.52 1jbs n ASN 15 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1jbs s LYS 16 N -5.69 0.88 0.39 1.20 1.02 -1.23 -4.94 119.74 111.37 1jbs s LYS 16 Ca 0.28 -0.16 -0.27 0.00 0.02 0.00 0.00 55.97 55.84 1jbs s LYS 16 Cb -0.13 -0.85 -0.10 0.00 -0.52 0.00 0.00 37.83 36.22 1jbs s LYS 16 CO 0.35 -0.03 1.46 -1.58 -0.92 0.00 0.00 175.35 174.63 1jbs s TRP 17 N 0.70 2.58 -0.03 3.18 0.52 -1.26 -2.61 118.94 122.02 1jbs s TRP 17 Ca -0.10 1.21 0.00 0.00 0.02 0.00 0.00 56.10 57.23 1jbs s TRP 17 Cb -0.13 -3.98 0.03 0.00 -1.15 0.00 0.00 33.47 28.24 1jbs s TRP 17 CO 0.01 -2.91 0.02 -1.21 0.02 0.00 0.00 176.95 172.87 1jbs s GLU 18 N -2.17 0.12 -1.21 4.98 2.02 -0.10 -4.89 118.70 117.44 1jbs s GLU 18 Ca 0.55 0.15 -0.19 0.00 0.02 0.00 0.00 54.97 55.49 1jbs s GLU 18 Cb -0.45 -0.38 0.07 0.00 0.10 0.00 0.00 34.13 33.46 1jbs s GLU 18 CO 0.61 -0.17 1.63 -0.51 0.02 0.00 0.00 175.26 176.84 1jbs s ASP 19 N 1.14 6.74 0.25 -0.19 1.01 -1.26 -1.59 116.67 122.77 1jbs s ASP 19 Ca -0.08 -2.17 -0.26 0.00 0.71 0.00 0.00 52.55 50.76 1jbs s ASP 19 Cb -0.13 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.14 1jbs s ASP 19 CO -0.02 -1.25 0.86 -0.75 0.21 0.00 0.00 175.17 174.21 1jbs s LYS 20 N 4.34 4.58 -0.16 8.23 2.20 -0.98 -4.85 119.74 133.10 1jbs s LYS 20 Ca 0.51 1.24 -0.11 0.00 -0.36 0.00 0.00 55.97 57.25 1jbs s LYS 20 Cb 0.02 -3.04 -0.05 0.00 -1.51 0.00 0.00 37.83 33.25 1jbs s LYS 20 CO 0.02 0.43 0.20 1.03 -0.36 0.00 0.00 175.35 176.68 1jbs s ARG 21 N -1.60 4.09 -0.07 4.03 0.52 -1.26 -1.20 118.95 123.45 1jbs s ARG 21 Ca 0.43 -0.06 0.04 0.00 -0.52 0.00 0.00 55.73 55.62 1jbs s ARG 21 Cb -0.21 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.88 1jbs s ARG 21 CO 0.26 0.37 -0.20 -0.51 0.02 0.00 0.00 175.30 175.23 1jbs s LEU 22 N 0.12 1.95 -0.13 2.53 1.43 -0.10 -4.98 118.68 119.51 1jbs s LEU 22 Ca 0.13 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1jbs s LEU 22 Cb -0.12 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 1jbs s LEU 22 CO 0.02 0.14 -0.02 -0.76 0.23 0.00 0.00 176.35 175.96 1jbs s LEU 23 N 0.27 3.38 -0.03 1.79 2.01 -1.26 -0.71 118.68 124.13 1jbs s LEU 23 Ca -0.13 -0.02 0.06 0.00 0.01 0.00 0.00 54.13 54.05 1jbs s LEU 23 Cb -0.16 -1.79 -0.01 0.00 0.01 0.00 0.00 46.19 44.24 1jbs s LEU 23 CO 0.06 0.25 -0.20 -0.31 1.01 0.00 0.00 176.35 177.16 1jbs s TYR 24 N -0.14 1.87 -0.06 0.29 1.51 1.00 -4.27 117.35 117.55 1jbs s TYR 24 Ca 0.03 -0.45 -0.26 0.00 -1.01 0.00 0.00 57.07 55.39 1jbs s TYR 24 Cb -0.13 -1.23 -0.03 0.00 -0.11 0.00 0.00 41.96 40.46 1jbs s TYR 24 CO 0.02 -0.10 0.81 0.45 -1.11 0.00 0.00 175.55 175.62 1jbs s SER 25 N -0.26 7.10 0.10 2.29 0.15 -1.26 -0.27 113.70 121.55 1jbs s SER 25 Ca 0.02 1.33 -0.18 0.00 0.70 0.00 0.00 55.95 57.82 1jbs s SER 25 Cb -0.10 -2.47 -0.07 0.00 -1.71 0.00 0.00 66.02 61.68 1jbs s SER 25 CO 0.01 -0.20 1.58 -0.61 1.20 0.00 0.00 173.24 175.22 1jbs h GLN 26 N 6.86 0.43 -0.82 5.44 4.15 -0.85 -1.11 115.11 129.20 1jbs h GLN 26 Ca -0.39 -0.11 0.11 0.00 0.77 0.00 0.00 58.65 59.04 1jbs h GLN 26 Cb 1.19 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 28.75 1jbs h GLN 26 CO 0.77 0.53 0.44 0.00 -1.93 0.00 0.00 178.83 178.63 1jbs h ALA 27 N 0.88 1.19 -0.31 3.38 0.00 -1.93 0.95 119.26 123.43 1jbs h ALA 27 Ca 0.08 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1jbs h ALA 27 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1jbs h ALA 27 CO 0.00 0.01 -0.43 0.87 0.00 0.00 0.00 179.25 179.69 1jbs h LYS 28 N 0.70 0.77 -0.30 0.00 1.57 -1.89 -2.05 116.57 115.38 1jbs h LYS 28 Ca 0.42 -0.42 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1jbs h LYS 28 Cb 0.48 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1jbs h LYS 28 CO -0.29 1.05 -0.07 0.00 -0.57 0.00 0.00 179.45 179.56 1jbs h ALA 29 N 0.88 1.33 -0.34 3.86 0.00 -0.12 -0.84 119.26 124.04 1jbs h ALA 29 Ca 0.04 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1jbs h ALA 29 Cb 1.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1jbs h ALA 29 CO 0.10 0.45 -0.14 0.93 0.00 0.00 0.00 179.25 180.58 1jbs h GLU 30 N 0.45 0.70 -0.57 0.00 5.08 -0.66 -2.54 114.58 117.04 1jbs h GLU 30 Ca 0.09 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1jbs h GLU 30 Cb 0.41 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1jbs h GLU 30 CO 0.02 0.90 0.29 1.03 -1.00 0.00 0.00 179.01 180.25 1jbs h SER 31 N 0.48 0.71 -0.49 1.42 0.87 -1.01 -1.92 113.55 113.61 1jbs h SER 31 Ca 0.08 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1jbs h SER 31 Cb 0.67 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1jbs h SER 31 CO 0.05 0.59 0.33 0.78 -0.53 0.00 0.00 176.83 178.04 1jbs h ASN 32 N 0.80 0.57 -0.42 6.23 -0.26 -0.88 -1.21 115.58 120.40 1jbs h ASN 32 Ca 0.20 -0.02 -0.08 0.00 -0.56 0.00 0.00 56.30 55.84 1jbs h ASN 32 Cb 0.05 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 1jbs h ASN 32 CO -0.03 0.41 -0.02 0.77 -1.06 0.00 0.00 177.43 177.50 1jbs h SER 33 N 0.67 0.81 0.04 5.81 4.64 -0.96 -1.66 113.55 122.90 1jbs h SER 33 Ca 0.18 -0.21 -0.13 0.00 -0.47 0.00 0.00 61.79 61.16 1jbs h SER 33 Cb -0.07 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 1jbs h SER 33 CO -0.04 0.88 -0.42 0.45 -0.87 0.00 0.00 176.83 176.83 1jbs h HIS 34 N 0.77 0.56 0.00 4.77 3.86 -1.12 -2.86 115.15 121.13 1jbs h HIS 34 Ca 0.14 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1jbs h HIS 34 Cb 0.49 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1jbs h HIS 34 CO 0.03 0.82 0.00 0.45 0.86 0.00 0.00 177.93 180.09 1jbs h HIS 35 N 0.39 0.00 -3.95 2.45 -0.00 -0.83 -3.44 115.15 109.76 1jbs h HIS 35 Ca 0.03 0.00 -0.46 0.00 -0.00 0.00 0.00 60.37 59.94 1jbs h HIS 35 Cb 0.90 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.29 1jbs h HIS 35 CO 0.03 0.00 0.28 0.00 -0.00 0.00 0.00 177.93 178.24 1jbs s ALA 36 N -3.44 3.13 0.41 2.45 0.00 -0.66 -5.02 121.76 118.63 1jbs s ALA 36 Ca 0.04 0.32 -0.26 0.00 0.00 0.00 0.00 51.96 52.06 1jbs s ALA 36 Cb 0.08 -3.05 -0.08 0.00 0.00 0.00 0.00 23.12 20.06 1jbs s ALA 36 CO 0.59 0.19 1.27 -1.25 0.00 0.00 0.00 175.76 176.55 1jbs s PRO 37 N -3.01 3.94 -1.38 0.00 0.04 -1.26 -4.90 135.00 128.44 1jbs s PRO 37 Ca 0.59 2.07 -0.14 0.00 0.04 0.00 0.00 61.00 63.56 1jbs s PRO 37 Cb -0.10 -2.70 0.08 0.00 0.04 0.00 0.00 34.50 31.81 1jbs s PRO 37 CO 0.15 -0.48 2.01 -0.11 0.04 0.00 0.00 177.00 178.60 1jbs n LEU 38 N 0.04 6.31 -4.03 -3.56 -0.00 -1.26 -4.69 117.00 109.81 1jbs n LEU 38 Ca 0.04 -4.21 -0.10 0.00 -0.00 0.00 0.00 56.01 51.74 1jbs n LEU 38 Cb 0.44 -1.64 -0.08 0.00 -0.00 0.00 0.00 43.42 42.15 1jbs n LEU 38 CO 0.54 0.93 -0.06 -0.94 -0.00 0.00 0.00 177.39 177.87 1jbs s SER 39 N 2.95 0.07 -0.46 1.96 1.04 -1.26 -5.13 113.70 112.88 1jbs s SER 39 Ca 0.47 -1.01 -0.02 0.00 0.48 0.00 0.00 55.95 55.87 1jbs s SER 39 Cb 0.10 0.43 0.12 0.00 0.10 0.00 0.00 66.02 66.78 1jbs s SER 39 CO -0.03 -0.91 0.25 -0.62 0.98 0.00 0.00 173.24 172.92 1jbs s ASP 40 N -3.02 5.22 0.13 7.02 2.15 -1.26 -4.38 116.67 122.53 1jbs s ASP 40 Ca 0.22 -2.25 0.00 0.00 0.43 0.00 0.00 52.55 50.96 1jbs s ASP 40 Cb 0.04 -1.82 0.00 0.00 -0.30 0.00 0.00 42.92 40.83 1jbs s ASP 40 CO 0.04 -0.49 0.00 0.61 -0.17 0.00 0.00 175.17 175.15 1jbs n GLY 41 N 4.30 -0.17 4.21 2.66 0.00 0.21 -4.89 105.19 111.51 1jbs n GLY 41 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 0.85 0.00 -2.96 1.61 5.02 -1.26 -4.81 118.16 116.61 1jbs n LYS 42 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1jbs n LYS 42 Cb 0.00 -2.92 -0.00 0.00 -0.02 0.00 0.00 35.03 32.09 1jbs n LYS 42 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1jbs s THR 43 N -1.69 4.77 0.42 -0.18 -4.23 -1.26 -4.98 115.64 108.49 1jbs s THR 43 Ca 0.00 -0.18 0.12 0.00 -1.18 0.00 0.00 61.69 60.45 1jbs s THR 43 Cb 0.00 -3.78 0.32 0.00 1.34 0.00 0.00 72.50 70.38 1jbs s THR 43 CO 0.00 -0.64 1.97 1.23 -0.54 0.00 0.00 174.62 176.65 1jbs h GLY 44 N 0.43 0.66 1.11 3.99 0.00 -1.63 -2.08 103.07 105.55 1jbs h GLY 44 Ca -0.48 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1jbs h GLY 44 CO 0.61 0.12 -0.83 1.48 0.00 0.00 0.00 176.54 177.92 1jbs h SER 45 N 0.48 0.00 0.00 0.19 4.64 -1.15 -3.36 113.55 114.35 1jbs h SER 45 Ca 0.29 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1jbs h SER 45 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1jbs h SER 45 CO -0.08 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 174.36 1jbs n SER 46 N -2.57 0.00 -4.84 4.97 3.41 -0.78 -5.06 113.62 108.74 1jbs n SER 46 Ca 0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.28 1jbs n SER 46 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 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 -2.31 3.42 0.73 7.33 2.02 -1.26 -3.96 117.35 123.32 1jbs s TYR 47 Ca 0.00 0.31 -0.11 0.00 -0.37 0.00 0.00 57.07 56.90 1jbs s TYR 47 Cb 0.00 -1.80 0.04 0.00 -0.40 0.00 0.00 41.96 39.79 1jbs s TYR 47 CO 0.00 0.61 1.10 -1.25 -1.57 0.00 0.00 175.55 174.44 1jbs s PRO 48 N -1.70 2.57 0.23 -1.71 0.04 -1.26 -4.73 135.00 128.43 1jbs s PRO 48 Ca 0.23 0.29 -0.14 0.00 0.04 0.00 0.00 61.00 61.42 1jbs s PRO 48 Cb -0.12 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1jbs s PRO 48 CO 0.14 -1.19 0.49 -3.38 0.04 0.00 0.00 177.00 173.11 1jbs s HIS 49 N -3.39 0.18 0.12 0.56 -3.43 -1.14 -0.62 115.29 107.56 1jbs s HIS 49 Ca 0.59 -0.54 -0.34 0.00 -0.80 0.00 0.00 55.06 53.96 1jbs s HIS 49 Cb -0.11 0.27 -0.14 0.00 -1.43 0.00 0.00 32.58 31.17 1jbs s HIS 49 CO 0.50 -0.97 1.58 1.87 -2.00 0.00 0.00 174.74 175.73 1jbs n TRP 50 N -0.36 2.18 -3.64 0.38 -0.00 -1.26 -1.17 117.44 113.57 1jbs n TRP 50 Ca -0.05 0.29 -0.39 0.00 -0.00 0.00 0.00 57.50 57.35 1jbs n TRP 50 Cb 0.62 -2.53 -0.10 0.00 -0.00 0.00 0.00 31.31 29.30 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 1.26 3.39 0.33 5.87 5.36 0.48 -4.79 117.98 129.88 1jbs s PHE 51 Ca 0.81 -1.76 0.02 0.00 -0.96 0.00 0.00 56.93 55.04 1jbs s PHE 51 Cb -0.72 -3.06 0.60 0.00 -0.34 0.00 0.00 43.02 39.51 1jbs s PHE 51 CO 0.41 -0.89 1.96 1.79 -1.46 0.00 0.00 175.22 177.02 1jbs h THR 52 N 6.16 1.10 -3.94 0.12 1.35 -1.88 -3.38 112.91 112.43 1jbs h THR 52 Ca -0.21 -0.32 -0.38 0.00 -0.55 0.00 0.00 66.41 64.95 1jbs h THR 52 Cb 1.07 0.10 0.01 0.00 -1.73 0.00 0.00 68.15 67.60 1jbs h THR 52 CO 0.75 0.17 -0.53 -3.20 -0.25 0.00 0.00 175.52 172.46 1jbs n ASN 53 N -4.46 -5.49 0.00 5.36 5.15 -1.26 -2.25 115.26 112.31 1jbs n ASN 53 Ca 0.10 -0.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1jbs n ASN 53 Cb 0.14 -4.52 0.00 0.00 -0.53 0.00 0.00 39.78 34.87 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 -1.20 0.64 3.73 8.20 0.00 -1.26 -4.14 105.19 111.17 1jbs n GLY 54 Ca -0.16 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 2.71 0.53 1.61 2.02 -0.95 -0.06 117.35 121.21 1jbs s TYR 55 Ca 0.00 -0.38 0.09 0.00 -0.37 0.00 0.00 57.07 56.41 1jbs s TYR 55 Cb 0.00 -1.64 0.09 0.00 -0.40 0.00 0.00 41.96 40.01 1jbs s TYR 55 CO 0.00 0.34 0.74 -0.40 -1.57 0.00 0.00 175.55 174.66 1jbs n ASP 56 N -1.15 1.94 0.19 2.29 5.68 -0.64 -4.84 116.55 120.03 1jbs n ASP 56 Ca -0.03 -2.41 0.14 0.00 -0.50 0.00 0.00 54.79 51.98 1jbs n ASP 56 Cb 0.61 -0.39 0.66 0.00 -1.14 0.00 0.00 41.12 40.87 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 0.09 0.00 -1.57 6.12 0.00 -1.89 -2.29 103.07 103.52 1jbs h GLY 57 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1jbs h GLY 57 CO 0.36 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.60 1jbs n ASN 58 N -2.45 2.49 -0.26 0.19 3.02 -1.26 -0.94 115.26 116.06 1jbs n ASN 58 Ca -0.00 -1.89 -0.03 0.00 -0.03 0.00 0.00 54.58 52.62 1jbs n ASN 58 Cb 0.12 -0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 39.05 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 1.29 0.57 3.68 7.41 0.00 -0.38 -4.89 105.19 112.85 1jbs n GLY 59 Ca 0.17 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 1jbs n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jbs s LYS 60 N -2.52 4.13 0.32 1.61 2.20 -1.26 -4.70 119.74 119.52 1jbs s LYS 60 Ca 0.00 -0.09 -0.29 0.00 -0.36 0.00 0.00 55.97 55.23 1jbs s LYS 60 Cb 0.00 -3.52 -0.11 0.00 -1.51 0.00 0.00 37.83 32.69 1jbs s LYS 60 CO 0.00 0.07 1.47 -1.17 -0.36 0.00 0.00 175.35 175.36 1jbs s LEU 61 N 1.02 4.36 0.20 5.43 2.96 -1.26 -1.61 118.68 129.77 1jbs s LEU 61 Ca 0.12 2.89 -0.30 0.00 -0.22 0.00 0.00 54.13 56.62 1jbs s LEU 61 Cb -0.14 -3.65 -0.08 0.00 0.50 0.00 0.00 46.19 42.83 1jbs s LEU 61 CO 0.05 -0.79 1.01 -0.63 -1.32 0.00 0.00 176.35 174.66 1jbs s ILE 62 N -0.63 4.05 -0.18 6.68 1.01 0.92 -4.89 121.20 128.16 1jbs s ILE 62 Ca 0.56 1.88 -0.16 0.00 0.00 0.00 0.00 60.65 62.92 1jbs s ILE 62 Cb -0.45 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 37.76 1jbs s ILE 62 CO 0.54 0.37 0.65 1.17 0.00 0.00 0.00 174.94 177.67 1jbs n LYS 63 N 2.02 0.00 -0.68 2.79 3.00 -1.26 -1.08 118.16 122.95 1jbs n LYS 63 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1jbs n LYS 63 Cb 0.47 -0.53 0.00 0.00 0.00 0.00 0.00 35.03 34.97 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 1.96 0.11 3.83 3.14 0.00 -1.26 -4.98 105.19 107.99 1jbs n GLY 64 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.10 4.17 -0.24 1.61 1.81 -0.24 -5.06 118.95 119.90 1jbs s ARG 65 Ca 0.00 1.03 0.01 0.00 -1.72 0.00 0.00 55.73 55.05 1jbs s ARG 65 Cb 0.00 -2.22 0.04 0.00 -0.45 0.00 0.00 34.95 32.33 1jbs s ARG 65 CO 0.00 -0.02 -0.11 0.99 -0.68 0.00 0.00 175.30 175.48 1jbs s THR 66 N -2.19 2.38 0.50 0.02 2.01 -1.26 -4.84 115.64 112.26 1jbs s THR 66 Ca 0.60 -1.29 -0.21 0.00 0.31 0.00 0.00 61.69 61.11 1jbs s THR 66 Cb -0.09 -2.25 -0.07 0.00 0.01 0.00 0.00 72.50 70.10 1jbs s THR 66 CO 0.15 0.17 1.11 -2.16 -0.69 0.00 0.00 174.62 173.20 1jbs s PRO 67 N 1.22 3.60 0.34 4.92 0.04 -1.26 -4.94 135.00 138.91 1jbs s PRO 67 Ca -0.03 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 1jbs s PRO 67 Cb -0.17 -2.13 -0.11 0.00 0.04 0.00 0.00 34.50 32.12 1jbs s PRO 67 CO -0.07 -0.64 1.52 0.42 0.04 0.00 0.00 177.00 178.27 1jbs s ILE 68 N -1.78 2.12 -0.43 0.56 1.01 -1.26 -4.94 121.20 116.48 1jbs s ILE 68 Ca 0.69 0.11 -0.15 0.00 0.00 0.00 0.00 60.65 61.30 1jbs s ILE 68 Cb -0.23 -3.07 0.04 0.00 0.01 0.00 0.00 42.46 39.21 1jbs s ILE 68 CO 0.26 0.02 0.34 -0.75 0.00 0.00 0.00 174.94 174.82 1jbs s LYS 69 N -1.39 2.98 0.25 2.79 2.20 -1.26 -4.92 119.74 120.39 1jbs s LYS 69 Ca 0.57 -1.13 0.16 0.00 -0.36 0.00 0.00 55.97 55.21 1jbs s LYS 69 Cb -0.46 -4.03 0.04 0.00 -1.51 0.00 0.00 37.83 31.87 1jbs s LYS 69 CO 0.56 -0.85 1.34 0.74 -0.36 0.00 0.00 175.35 176.78 1jbs h PHE 70 N 8.68 0.00 0.00 4.03 0.04 -1.91 -3.48 116.94 124.30 1jbs h PHE 70 Ca -0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1jbs h PHE 70 Cb 1.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1jbs h PHE 70 CO 0.58 0.48 0.00 0.41 -0.60 0.00 0.00 178.31 179.18 1jbs n GLY 71 N 1.24 0.99 2.90 -1.45 0.00 -1.26 -4.97 105.19 102.64 1jbs n GLY 71 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 1jbs n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jbs s LYS 72 N -1.35 0.06 0.15 1.61 2.20 -1.26 -5.06 119.74 116.08 1jbs s LYS 72 Ca 0.00 0.18 -0.27 0.00 -0.36 0.00 0.00 55.97 55.51 1jbs s LYS 72 Cb 0.00 -0.07 -0.02 0.00 -1.51 0.00 0.00 37.83 36.23 1jbs s LYS 72 CO 0.00 -0.08 1.58 0.00 -0.36 0.00 0.00 175.35 176.49 1jbs h ALA 73 N 6.59 -0.47 -0.72 3.13 0.00 -1.98 0.18 119.26 126.00 1jbs h ALA 73 Ca -0.33 0.04 0.15 0.00 0.00 0.00 0.00 54.91 54.77 1jbs h ALA 73 Cb 1.17 0.85 -0.11 0.00 0.00 0.00 0.00 17.79 19.70 1jbs h ALA 73 CO 0.46 -0.88 0.18 -0.44 0.00 0.00 0.00 179.25 178.57 1jbs h ASP 74 N -0.37 0.03 -0.01 0.00 3.32 -1.97 -1.72 116.42 115.69 1jbs h ASP 74 Ca 0.12 0.14 -0.22 0.00 0.02 0.00 0.00 57.03 57.09 1jbs h ASP 74 Cb 0.59 0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.33 1jbs h ASP 74 CO -0.52 -0.02 -0.81 0.00 -1.72 0.00 0.00 179.24 176.17 1jbs h ASP 76 N 0.45 0.00 -3.94 0.00 3.32 -0.29 -3.47 116.42 112.48 1jbs h ASP 76 Ca -0.06 -0.10 -0.54 0.00 0.02 0.00 0.00 57.03 56.35 1jbs h ASP 76 Cb 1.43 0.00 0.10 0.00 0.22 0.00 0.00 39.33 41.08 1jbs h ASP 76 CO 0.16 0.05 0.71 -0.60 -1.72 0.00 0.00 179.24 177.84 1jbs s ARG 77 N -3.25 4.03 0.42 3.56 3.52 -0.68 -4.92 118.95 121.62 1jbs s ARG 77 Ca 0.04 2.41 -0.25 0.00 -0.13 0.00 0.00 55.73 57.80 1jbs s ARG 77 Cb 0.11 -2.88 -0.10 0.00 -1.56 0.00 0.00 34.95 30.51 1jbs s ARG 77 CO 0.74 -0.53 1.07 -2.30 -0.81 0.00 0.00 175.30 173.47 1jbs n PRO 78 N 0.31 1.47 -2.63 5.12 -0.02 -1.26 -4.94 135.00 133.06 1jbs n PRO 78 Ca 0.02 0.53 -0.33 0.00 -2.02 0.00 0.00 63.50 61.70 1jbs n PRO 78 Cb 0.41 -2.11 -0.05 0.00 -0.02 0.00 0.00 33.50 31.73 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 -2.04 4.04 -0.34 0.52 0.04 -1.26 -4.88 135.00 131.08 1jbs s PRO 79 Ca 0.63 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.82 1jbs s PRO 79 Cb -0.55 -2.15 0.10 0.00 0.04 0.00 0.00 34.50 31.94 1jbs s PRO 79 CO 0.57 -0.19 0.06 0.21 0.04 0.00 0.00 177.00 177.69 1jbs s LYS 80 N -3.47 1.54 -0.27 4.56 2.47 0.20 -1.25 119.74 123.51 1jbs s LYS 80 Ca 0.62 -1.87 -0.00 0.00 -1.56 0.00 0.00 55.97 53.16 1jbs s LYS 80 Cb -0.11 -3.23 0.08 0.00 -1.46 0.00 0.00 37.83 33.11 1jbs s LYS 80 CO 0.20 -0.94 0.04 -1.58 0.16 0.00 0.00 175.35 173.23 1jbs s HIS 81 N 0.92 2.04 0.46 4.03 5.65 -0.12 -0.45 115.29 127.82 1jbs s HIS 81 Ca 0.10 -1.76 -0.09 0.00 0.25 0.00 0.00 55.06 53.56 1jbs s HIS 81 Cb -0.19 -1.72 -0.05 0.00 -1.18 0.00 0.00 32.58 29.43 1jbs s HIS 81 CO -0.08 -0.82 0.82 -1.54 -0.65 0.00 0.00 174.74 172.48 1jbs s SER 82 N 1.51 6.42 0.00 9.88 1.04 -1.26 -4.44 113.70 126.85 1jbs s SER 82 Ca 0.04 1.14 0.00 0.00 0.48 0.00 0.00 55.95 57.61 1jbs s SER 82 Cb -0.18 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1jbs s SER 82 CO -0.15 -0.51 0.00 1.67 0.98 0.00 0.00 173.24 175.22 1jbs n GLN 83 N -1.75 0.00 0.00 4.02 -0.06 -1.26 0.22 117.38 118.55 1jbs n GLN 83 Ca 0.03 0.00 0.14 0.00 -2.00 0.00 0.00 57.00 55.16 1jbs n GLN 83 Cb 0.54 0.00 0.50 0.00 -4.06 0.00 0.00 30.24 27.22 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 -0.85 0.80 -0.21 1.69 2.04 -1.26 -4.89 115.26 112.58 1jbs n ASN 84 Ca 0.00 -0.80 -0.03 0.00 -0.44 0.00 0.00 54.58 53.31 1jbs n ASN 84 Cb 0.00 0.03 -0.01 0.00 -2.53 0.00 0.00 39.78 37.27 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 1.29 0.60 0.61 4.83 0.00 0.60 -4.66 105.19 108.46 1jbs n GLY 85 Ca 0.14 -0.67 0.07 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.74 2.73 -1.53 1.61 2.00 -1.26 -4.77 117.12 113.16 1jbs n MET 86 Ca -0.03 -2.38 -0.38 0.00 0.00 0.00 0.00 57.70 54.91 1jbs n MET 86 Cb 0.11 -1.51 0.05 0.00 0.00 0.00 0.00 33.22 31.87 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 -0.25 -0.93 0.31 3.03 0.00 -1.26 -4.90 105.19 101.18 1jbs n GLY 87 Ca 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 1jbs n GLY 87 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jbs h LYS 88 N 0.29 0.88 -0.13 1.61 3.64 -2.00 -3.00 116.57 117.86 1jbs h LYS 88 Ca -0.47 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 1jbs h LYS 88 Cb 1.38 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1jbs h LYS 88 CO 0.48 0.74 0.00 -0.25 -2.27 0.00 0.00 179.45 178.16 1jbs n ASP 89 N -4.30 2.84 -4.77 4.20 10.43 -1.26 -5.05 116.55 118.63 1jbs n ASP 89 Ca 0.05 -2.71 -0.41 0.00 2.57 0.00 0.00 54.79 54.29 1jbs n ASP 89 Cb 0.19 -0.36 0.00 0.00 1.84 0.00 0.00 41.12 42.79 1jbs n ASP 89 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1jbs s ASP 90 N -1.97 6.23 -0.13 -2.24 1.11 -1.14 -4.92 116.67 113.61 1jbs s ASP 90 Ca 0.28 2.99 -0.06 0.00 0.18 0.00 0.00 52.55 55.94 1jbs s ASP 90 Cb 0.22 -2.66 0.06 0.00 1.07 0.00 0.00 42.92 41.61 1jbs s ASP 90 CO 0.06 -0.94 0.28 -1.38 1.18 0.00 0.00 175.17 174.37 1jbs s HIS 91 N -1.15 -0.44 0.31 4.23 -3.43 0.40 -4.57 115.29 110.64 1jbs s HIS 91 Ca 0.55 0.98 -0.18 0.00 -0.80 0.00 0.00 55.06 55.60 1jbs s HIS 91 Cb -0.45 0.05 0.06 0.00 -1.43 0.00 0.00 32.58 30.81 1jbs s HIS 91 CO 0.60 -0.32 0.88 1.52 -2.00 0.00 0.00 174.74 175.43 1jbs s TYR 92 N 1.91 0.09 -0.00 0.38 -0.85 -1.15 0.61 117.35 118.33 1jbs s TYR 92 Ca -0.04 -0.65 -0.06 0.00 -0.52 0.00 0.00 57.07 55.80 1jbs s TYR 92 Cb -0.11 0.78 -0.05 0.00 0.38 0.00 0.00 41.96 42.97 1jbs s TYR 92 CO -0.09 -1.31 0.24 -0.51 -1.52 0.00 0.00 175.55 172.35 1jbs s LEU 93 N -3.18 4.37 0.06 -3.49 1.43 -1.26 -0.40 118.68 116.21 1jbs s LEU 93 Ca 0.17 0.50 0.07 0.00 -1.03 0.00 0.00 54.13 53.85 1jbs s LEU 93 Cb -0.04 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1jbs s LEU 93 CO 0.09 0.26 -0.16 -0.76 0.23 0.00 0.00 176.35 176.01 1jbs s LEU 94 N -1.76 2.72 0.02 1.79 1.43 0.17 -0.39 118.68 122.66 1jbs s LEU 94 Ca 0.27 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1jbs s LEU 94 Cb -0.13 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1jbs s LEU 94 CO 0.16 0.23 -0.23 -1.83 0.23 0.00 0.00 176.35 174.91 1jbs s GLU 95 N -1.70 2.04 -0.02 1.70 -1.05 -0.32 -1.43 118.70 117.92 1jbs s GLU 95 Ca 0.16 -0.98 -0.07 0.00 -0.15 0.00 0.00 54.97 53.94 1jbs s GLU 95 Cb -0.11 -2.10 0.01 0.00 -0.44 0.00 0.00 34.13 31.49 1jbs s GLU 95 CO 0.08 0.55 0.14 0.12 0.95 0.00 0.00 175.26 177.09 1jbs s PHE 96 N -0.78 -0.04 0.37 4.83 5.36 -0.78 -2.89 117.98 124.05 1jbs s PHE 96 Ca 0.12 0.07 -0.28 0.00 -0.96 0.00 0.00 56.93 55.89 1jbs s PHE 96 Cb -0.10 -0.01 -0.10 0.00 -0.34 0.00 0.00 43.02 42.47 1jbs s PHE 96 CO 0.02 -0.21 1.35 -2.14 -1.46 0.00 0.00 175.22 172.78 1jbs s PRO 97 N -0.83 4.15 0.02 10.12 0.02 -1.26 -0.64 135.00 146.58 1jbs s PRO 97 Ca -0.09 2.28 -0.01 0.00 0.02 0.00 0.00 61.00 63.20 1jbs s PRO 97 Cb -0.05 -2.93 -0.02 0.00 0.02 0.00 0.00 34.50 31.52 1jbs s PRO 97 CO 0.01 -0.39 0.00 -0.08 -0.33 0.00 0.00 177.00 176.22 1jbs s THR 98 N -1.18 0.10 0.10 0.99 -1.32 -1.07 -4.60 115.64 108.67 1jbs s THR 98 Ca 0.53 -0.86 0.02 0.00 -1.21 0.00 0.00 61.69 60.17 1jbs s THR 98 Cb -0.41 -0.29 -0.04 0.00 -1.51 0.00 0.00 72.50 70.25 1jbs s THR 98 CO 0.54 -0.47 -0.07 -0.36 -2.21 0.00 0.00 174.62 172.05 1jbs s PHE 99 N -1.43 0.94 0.29 9.09 0.08 -1.26 -4.37 117.98 121.31 1jbs s PHE 99 Ca -0.16 -0.90 0.04 0.00 0.12 0.00 0.00 56.93 56.04 1jbs s PHE 99 Cb -0.09 -0.53 0.69 0.00 -0.57 0.00 0.00 43.02 42.52 1jbs s PHE 99 CO -0.00 -0.12 1.76 -1.35 -0.10 0.00 0.00 175.22 175.40 1jbs h PRO 100 N 2.94 0.65 0.00 0.24 0.11 -1.98 0.14 132.00 134.11 1jbs h PRO 100 Ca -0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1jbs h PRO 100 Cb 1.17 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1jbs h PRO 100 CO 0.65 0.43 0.00 -0.40 -0.21 0.00 0.00 178.00 178.47 1jbs n ASP 101 N -4.84 0.00 -0.09 -2.05 5.68 -1.26 -4.64 116.55 109.35 1jbs n ASP 101 Ca 0.22 -0.42 -0.01 0.00 -0.50 0.00 0.00 54.79 54.08 1jbs n ASP 101 Cb 0.56 -0.16 -0.00 0.00 -1.14 0.00 0.00 41.12 40.37 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 0.86 0.29 3.76 6.12 0.00 0.50 -5.00 105.19 111.73 1jbs n GLY 102 Ca 0.16 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.47 2.54 -0.27 1.61 -3.43 -1.26 -4.88 115.29 108.13 1jbs s HIS 103 Ca 0.00 1.56 -0.27 0.00 -0.80 0.00 0.00 55.06 55.54 1jbs s HIS 103 Cb 0.00 -3.23 0.01 0.00 -1.43 0.00 0.00 32.58 27.93 1jbs s HIS 103 CO 0.00 -1.82 0.98 -0.51 -2.00 0.00 0.00 174.74 171.39 1jbs s ASP 104 N -2.39 6.93 0.35 7.38 1.01 -1.26 -4.65 116.67 124.05 1jbs s ASP 104 Ca 0.69 1.11 -0.27 0.00 0.71 0.00 0.00 52.55 54.79 1jbs s ASP 104 Cb -0.22 -2.50 -0.12 0.00 1.01 0.00 0.00 42.92 41.08 1jbs s ASP 104 CO 0.40 -0.70 1.13 0.00 0.21 0.00 0.00 175.17 176.21 1jbs n TYR 105 N 6.42 1.69 -2.44 4.23 9.36 -1.26 -4.84 117.16 130.31 1jbs n TYR 105 Ca 0.10 0.59 -0.43 0.00 3.32 0.00 0.00 57.90 61.48 1jbs n TYR 105 Cb 0.47 -2.32 0.00 0.00 -0.63 0.00 0.00 39.34 36.86 1jbs n TYR 105 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1jbs n LYS 106 N 0.46 3.14 0.25 2.98 4.81 -1.26 -4.81 118.16 123.72 1jbs n LYS 106 Ca 0.07 -3.17 0.18 0.00 -0.87 0.00 0.00 58.31 54.52 1jbs n LYS 106 Cb 0.36 -3.46 0.89 0.00 0.02 0.00 0.00 35.03 32.84 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 7.30 0.00 -0.00 5.64 -5.15 -1.88 -2.77 116.94 120.07 1jbs h PHE 107 Ca 0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.24 1jbs h PHE 107 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.00 1jbs h PHE 107 CO 1.43 0.00 -0.68 -0.25 -2.00 0.00 0.00 178.31 176.82 1jbs n ASP 108 N -3.60 0.93 -4.70 -0.68 8.00 -1.26 -1.34 116.55 113.90 1jbs n ASP 108 Ca 0.00 -0.77 -0.42 0.00 0.71 0.00 0.00 54.79 54.31 1jbs n ASP 108 Cb 0.28 0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 41.92 1jbs n ASP 108 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1jbs s SER 109 N -2.89 6.91 -0.11 -2.24 0.01 -1.05 -3.63 113.70 110.70 1jbs s SER 109 Ca 0.12 2.15 -0.00 0.00 1.31 0.00 0.00 55.95 59.53 1jbs s SER 109 Cb 0.17 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.76 1jbs s SER 109 CO 0.74 -0.62 -0.11 1.17 0.41 0.00 0.00 173.24 174.83 1jbs n LYS 110 N 4.44 0.27 -3.63 12.44 4.81 -1.26 -3.11 118.16 132.12 1jbs n LYS 110 Ca 0.11 0.07 -0.28 0.00 -0.87 0.00 0.00 58.31 57.35 1jbs n LYS 110 Cb 0.44 -1.17 -0.16 0.00 0.02 0.00 0.00 35.03 34.16 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 -2.22 0.31 0.55 1.64 1.02 -1.26 -2.43 119.74 117.36 1jbs s LYS 111 Ca -0.15 -0.41 -0.15 0.00 0.02 0.00 0.00 55.97 55.28 1jbs s LYS 111 Cb 0.04 -1.71 -0.06 0.00 -0.52 0.00 0.00 37.83 35.58 1jbs s LYS 111 CO 0.24 -0.81 1.01 -1.25 -0.92 0.00 0.00 175.35 173.63 1jbs s PRO 112 N 2.00 3.71 -0.18 -1.68 0.04 -1.26 -5.14 135.00 132.49 1jbs s PRO 112 Ca 0.04 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 61.96 1jbs s PRO 112 Cb -0.16 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 1jbs s PRO 112 CO -0.19 -0.48 0.23 0.21 0.04 0.00 0.00 177.00 176.82 1jbs s LYS 113 N -4.23 4.23 0.26 4.56 2.20 -1.02 -4.78 119.74 120.96 1jbs s LYS 113 Ca 0.60 -0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.88 1jbs s LYS 113 Cb -0.12 -3.43 -0.10 0.00 -1.51 0.00 0.00 37.83 32.67 1jbs s LYS 113 CO 0.36 0.25 1.42 -2.00 -0.36 0.00 0.00 175.35 175.02 1jbs s GLU 114 N 0.47 4.28 -0.02 4.03 2.12 -1.26 -4.91 118.70 123.41 1jbs s GLU 114 Ca 0.13 2.29 -0.30 0.00 0.36 0.00 0.00 54.97 57.45 1jbs s GLU 114 Cb -0.12 -3.10 -0.07 0.00 0.26 0.00 0.00 34.13 31.10 1jbs s GLU 114 CO 0.02 -0.38 1.81 0.34 -0.54 0.00 0.00 175.26 176.50 1jbs s ASP 115 N 0.22 6.54 0.16 -1.70 2.15 -1.26 -4.86 116.67 117.92 1jbs s ASP 115 Ca 0.57 2.42 0.22 0.00 0.43 0.00 0.00 52.55 56.19 1jbs s ASP 115 Cb -0.42 -2.53 0.87 0.00 -0.30 0.00 0.00 42.92 40.55 1jbs s ASP 115 CO 0.45 -1.01 1.66 -0.81 -0.17 0.00 0.00 175.17 175.29 1jbs n PRO 116 N 7.36 0.13 -0.09 4.34 -0.04 -1.26 -5.01 135.00 140.43 1jbs n PRO 116 Ca 0.19 0.32 0.01 0.00 -0.04 0.00 0.00 63.50 63.98 1jbs n PRO 116 Cb 0.42 -1.73 -0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1jbs n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jbs n GLY 117 N 0.27 -1.69 0.17 0.55 0.00 -1.26 -4.45 105.19 98.78 1jbs n GLY 117 Ca 0.03 -1.27 0.07 0.00 0.00 0.00 0.00 46.02 44.85 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 -6.20 1.61 0.13 -1.90 -3.46 132.00 122.18 1jbs h PRO 118 Ca 0.00 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.55 1jbs h PRO 118 Cb 0.08 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.14 1jbs h PRO 118 CO 0.00 0.26 -0.57 0.00 -0.23 0.00 0.00 178.00 177.46 1jbs s ALA 119 N -3.08 3.57 0.00 -0.56 0.00 -1.26 -1.28 121.76 119.14 1jbs s ALA 119 Ca 0.04 -1.20 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 1jbs s ALA 119 Cb 0.07 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 1jbs s ALA 119 CO 0.72 0.52 -0.00 1.03 0.00 0.00 0.00 175.76 178.04 1jbs s ARG 120 N -3.04 0.11 -0.17 0.00 1.81 0.53 -2.60 118.95 115.60 1jbs s ARG 120 Ca 0.31 -0.19 -0.13 0.00 -1.72 0.00 0.00 55.73 54.00 1jbs s ARG 120 Cb -0.10 0.04 -0.05 0.00 -0.45 0.00 0.00 34.95 34.39 1jbs s ARG 120 CO 0.23 -0.02 0.27 0.54 -0.68 0.00 0.00 175.30 175.65 1jbs s VAL 121 N -0.47 5.32 -0.17 3.52 0.11 0.19 -1.17 120.40 127.73 1jbs s VAL 121 Ca -0.05 0.50 -0.07 0.00 -2.93 0.00 0.00 61.98 59.43 1jbs s VAL 121 Cb -0.03 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 1jbs s VAL 121 CO -0.00 0.39 0.07 -0.63 -3.33 0.00 0.00 175.10 171.60 1jbs s ILE 122 N 0.50 4.87 0.12 7.04 -1.09 0.05 -1.86 121.20 130.82 1jbs s ILE 122 Ca 0.15 -0.01 -0.13 0.00 -2.23 0.00 0.00 60.65 58.43 1jbs s ILE 122 Cb -0.13 -3.18 0.02 0.00 -1.58 0.00 0.00 42.46 37.60 1jbs s ILE 122 CO 0.03 0.49 0.33 -0.72 -1.23 0.00 0.00 174.94 173.84 1jbs s TYR 123 N 0.09 -0.03 0.36 3.97 1.13 -0.51 -0.85 117.35 121.52 1jbs s TYR 123 Ca 0.06 -0.33 -0.15 0.00 -1.41 0.00 0.00 57.07 55.24 1jbs s TYR 123 Cb -0.12 0.14 -0.08 0.00 -1.10 0.00 0.00 41.96 40.79 1jbs s TYR 123 CO 0.00 -0.67 0.78 0.95 -2.51 0.00 0.00 175.55 174.11 1jbs s THR 124 N -3.84 4.67 -0.12 -3.49 -4.23 -0.58 0.44 115.64 108.48 1jbs s THR 124 Ca 0.05 0.93 -0.03 0.00 -1.18 0.00 0.00 61.69 61.47 1jbs s THR 124 Cb 0.03 -3.64 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 1jbs s THR 124 CO -0.10 -0.31 -0.01 -0.47 -0.54 0.00 0.00 174.62 173.19 1jbs s TYR 125 N -2.14 3.09 -2.32 3.99 6.14 0.46 0.66 117.35 127.24 1jbs s TYR 125 Ca 0.54 -0.04 0.22 0.00 0.64 0.00 0.00 57.07 58.44 1jbs s TYR 125 Cb -0.10 -1.89 0.06 0.00 0.42 0.00 0.00 41.96 40.45 1jbs s TYR 125 CO 0.21 0.21 1.13 -0.35 0.64 0.00 0.00 175.55 177.38 1jbs n PRO 126 N 2.90 1.62 0.00 4.97 -0.04 -1.26 -2.94 135.00 140.24 1jbs n PRO 126 Ca -0.18 -1.31 0.14 0.00 -0.04 0.00 0.00 63.50 62.11 1jbs n PRO 126 Cb 0.53 -1.45 0.59 0.00 -0.04 0.00 0.00 33.50 33.13 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 0.46 0.75 -3.70 3.54 3.02 -1.25 -4.96 115.26 113.13 1jbs n ASN 127 Ca 0.11 -0.90 -0.23 0.00 -0.03 0.00 0.00 54.58 53.52 1jbs n ASN 127 Cb 0.50 -0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.71 1jbs n ASN 127 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jbs n LYS 128 N -0.64 -5.67 -2.62 3.52 5.02 0.21 -4.93 118.16 113.06 1jbs n LYS 128 Ca 0.16 0.67 -0.43 0.00 -2.02 0.00 0.00 58.31 56.70 1jbs n LYS 128 Cb 0.29 -5.44 -0.02 0.00 -0.02 0.00 0.00 35.03 29.84 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 -3.49 4.61 0.24 -0.18 1.01 -1.25 -4.67 120.40 116.67 1jbs s VAL 129 Ca 0.23 1.93 -0.31 0.00 0.00 0.00 0.00 61.98 63.83 1jbs s VAL 129 Cb -0.11 -4.24 -0.12 0.00 0.00 0.00 0.00 36.38 31.90 1jbs s VAL 129 CO 0.80 -0.12 1.59 0.33 0.00 0.00 0.00 175.10 177.69 1jbs n PHE 130 N 5.98 2.60 -0.08 5.22 7.35 -1.26 -1.53 117.46 135.75 1jbs n PHE 130 Ca 0.11 0.24 -0.16 0.00 -0.76 0.00 0.00 57.45 56.88 1jbs n PHE 130 Cb 0.46 -2.58 -0.05 0.00 0.35 0.00 0.00 39.48 37.66 1jbs n PHE 130 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jbs n GLY 132 N 2.04 -1.65 3.34 0.00 0.00 -1.07 -4.87 105.19 102.97 1jbs n GLY 132 Ca -0.30 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.04 2.65 0.19 -0.61 1.01 -1.26 -0.77 121.20 120.37 1jbs s ILE 133 Ca 0.00 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.89 1jbs s ILE 133 Cb 0.00 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 1jbs s ILE 133 CO 0.00 0.55 -0.12 0.68 0.00 0.00 0.00 174.94 176.05 1jbs s VAL 134 N 0.07 1.51 0.00 2.92 -7.23 -0.32 -1.48 120.40 115.88 1jbs s VAL 134 Ca -0.08 -2.15 -0.26 0.00 -1.81 0.00 0.00 61.98 57.69 1jbs s VAL 134 Cb -0.15 -2.02 0.06 0.00 0.56 0.00 0.00 36.38 34.83 1jbs s VAL 134 CO 0.05 -0.62 0.58 0.00 -0.31 0.00 0.00 175.10 174.81 1jbs s ALA 135 N -3.12 -1.50 0.32 1.32 0.00 0.25 -0.35 121.76 118.69 1jbs s ALA 135 Ca 0.21 0.91 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 1jbs s ALA 135 Cb 0.01 0.21 -0.10 0.00 0.00 0.00 0.00 23.12 23.24 1jbs s ALA 135 CO 0.05 -0.44 1.28 -1.01 0.00 0.00 0.00 175.76 175.65 1jbs s HIS 136 N -1.83 3.12 0.19 0.00 3.76 -0.41 -1.55 115.29 118.58 1jbs s HIS 136 Ca -0.08 1.44 0.06 0.00 -0.15 0.00 0.00 55.06 56.32 1jbs s HIS 136 Cb -0.01 -3.63 0.06 0.00 1.11 0.00 0.00 32.58 30.11 1jbs s HIS 136 CO 0.04 -1.71 1.43 1.96 -0.85 0.00 0.00 174.74 175.61 1jbs h GLN 137 N 3.55 0.08 -4.17 1.40 4.20 -1.81 -3.43 115.11 114.93 1jbs h GLN 137 Ca -0.48 -0.09 -0.52 0.00 0.06 0.00 0.00 58.65 57.61 1jbs h GLN 137 Cb 1.22 0.03 -0.37 0.00 0.30 0.00 0.00 27.48 28.66 1jbs h GLN 137 CO 0.66 0.86 -0.80 0.50 -0.67 0.00 0.00 178.83 179.38 1jbs s ARG 138 N -3.22 1.44 4.73 1.46 3.52 -1.26 -0.17 118.95 125.45 1jbs s ARG 138 Ca -0.01 -0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.34 1jbs s ARG 138 Cb 0.11 -1.58 0.00 0.00 -1.56 0.00 0.00 34.95 31.92 1jbs s ARG 138 CO 0.80 -0.29 0.00 0.41 -0.81 0.00 0.00 175.30 175.42 1jbs n GLY 139 N 4.95 1.65 0.57 8.12 0.00 0.22 -3.43 105.19 117.27 1jbs n GLY 139 Ca -0.12 -0.58 0.06 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.33 3.02 -4.74 1.61 5.03 -1.26 -4.56 115.26 114.03 1jbs n ASN 140 Ca 0.00 -2.41 -0.30 0.00 0.87 0.00 0.00 54.58 52.74 1jbs n ASN 140 Cb 0.00 -0.31 -0.08 0.00 -1.02 0.00 0.00 39.78 38.37 1jbs n ASN 140 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1jbs s GLN 141 N -1.73 2.14 0.15 3.52 -0.21 -1.22 -4.94 119.66 117.37 1jbs s GLN 141 Ca 0.26 -2.22 0.00 0.00 0.02 0.00 0.00 55.36 53.43 1jbs s GLN 141 Cb 0.18 -1.67 0.00 0.00 1.00 0.00 0.00 33.01 32.52 1jbs s GLN 141 CO 0.10 -0.27 0.00 0.41 -2.12 0.00 0.00 175.29 173.41 1jbs n GLY 142 N -1.23 -1.74 3.92 3.09 0.00 -1.26 -4.49 105.19 103.48 1jbs n GLY 142 Ca -0.11 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 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 3.72 -0.16 1.61 1.47 -1.26 -4.97 116.67 113.09 1jbs s ASP 143 Ca 0.00 0.42 -0.03 0.00 1.18 0.00 0.00 52.55 54.12 1jbs s ASP 143 Cb 0.00 -0.66 -0.02 0.00 -0.34 0.00 0.00 42.92 41.90 1jbs s ASP 143 CO 0.00 -2.36 -0.05 -0.76 0.68 0.00 0.00 175.17 172.68 1jbs s LEU 144 N -5.72 3.14 0.14 2.11 1.43 -1.26 -4.25 118.68 114.26 1jbs s LEU 144 Ca 0.69 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.67 1jbs s LEU 144 Cb -0.07 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1jbs s LEU 144 CO 0.51 0.15 -0.00 -0.13 0.23 0.00 0.00 176.35 177.11 1jbs s ARG 145 N 0.45 2.45 0.18 1.70 3.00 -0.59 -4.81 118.95 121.33 1jbs s ARG 145 Ca -0.05 -0.99 -0.30 0.00 0.00 0.00 0.00 55.73 54.39 1jbs s ARG 145 Cb -0.15 -2.43 -0.08 0.00 0.00 0.00 0.00 34.95 32.29 1jbs s ARG 145 CO 0.03 0.49 1.32 -1.17 0.00 0.00 0.00 175.30 175.98 1jbs s LEU 146 N -2.64 4.41 0.44 2.53 2.96 -1.26 -0.58 118.68 124.54 1jbs s LEU 146 Ca 0.26 2.38 -0.03 0.00 -0.22 0.00 0.00 54.13 56.52 1jbs s LEU 146 Cb -0.10 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1jbs s LEU 146 CO 0.18 -0.55 0.72 0.00 -1.32 0.00 0.00 176.35 175.38 1jbs s SER 148 N -4.10 5.78 0.00 0.00 1.04 -0.93 -4.84 113.70 110.66 1jbs s SER 148 Ca 0.45 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.38 1jbs s SER 148 Cb -0.10 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.36 1jbs s SER 148 CO 0.42 -0.82 0.00 0.00 0.98 0.00 0.00 173.24 173.82