#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jba s GLN 3 N 0.00 3.70 0.00 1.61 0.74 -1.26 -4.96 119.66 119.48 1jba s GLN 3 Ca 0.00 2.27 0.00 0.00 0.05 0.00 0.00 55.36 57.68 1jba s GLN 3 Cb 0.00 -4.23 0.00 0.00 1.10 0.00 0.00 33.01 29.88 1jba s GLN 3 CO 0.00 -1.45 0.00 1.04 -0.55 0.00 0.00 175.29 174.33 1jba n GLN 4 N 8.04 2.25 -3.47 1.67 1.13 -1.26 -5.08 117.38 120.66 1jba n GLN 4 Ca 0.24 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.30 1jba n GLN 4 Cb 0.43 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.73 1jba n GLN 4 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1jba s PHE 5 N 0.00 -0.62 0.00 1.08 5.36 -1.26 -5.13 117.98 117.41 1jba s PHE 5 Ca 0.00 1.11 0.00 0.00 -0.96 0.00 0.00 56.93 57.08 1jba s PHE 5 Cb 0.00 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.05 1jba s PHE 5 CO 0.00 -0.31 0.00 0.43 -1.46 0.00 0.00 175.22 173.88 1jba n SER 6 N 4.56 -3.02 0.00 6.13 7.64 -1.26 -3.35 113.62 124.32 1jba n SER 6 Ca -0.12 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.82 1jba n SER 6 Cb 0.54 0.00 0.36 0.00 -1.01 0.00 0.00 64.21 64.10 1jba n SER 6 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1jba n TRP 7 N -0.90 0.00 -0.38 1.43 8.01 -1.26 -4.01 117.44 120.34 1jba n TRP 7 Ca 0.00 0.00 0.33 0.00 -1.31 0.00 0.00 57.50 56.52 1jba n TRP 7 Cb 0.00 0.00 0.56 0.00 -2.01 0.00 0.00 31.31 29.86 1jba n TRP 7 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1jba n GLU 8 N -0.77 -0.03 0.17 -0.99 2.13 -1.21 0.87 120.64 120.80 1jba n GLU 8 Ca 0.09 1.06 -0.13 0.00 0.66 0.00 0.00 57.16 58.84 1jba n GLU 8 Cb 0.04 -2.06 -0.08 0.00 0.27 0.00 0.00 31.44 29.61 1jba n GLU 8 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1jba h GLU 9 N 0.00 -0.44 -0.10 5.31 5.08 -1.84 -2.64 114.58 119.95 1jba h GLU 9 Ca 0.73 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 59.12 1jba h GLU 9 Cb 2.32 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 31.66 1jba h GLU 9 CO -0.42 -0.12 0.05 0.00 -1.00 0.00 0.00 179.01 177.53 1jba h ALA 10 N -0.34 0.13 -0.94 3.43 0.00 0.29 -1.80 119.26 120.03 1jba h ALA 10 Ca -0.05 -0.05 0.28 0.00 0.00 0.00 0.00 54.91 55.09 1jba h ALA 10 Cb 0.52 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.12 1jba h ALA 10 CO 0.08 -0.33 0.36 1.49 0.00 0.00 0.00 179.25 180.85 1jba h GLU 11 N 0.07 0.23 0.00 0.00 4.57 -0.50 1.58 114.58 120.53 1jba h GLU 11 Ca 0.04 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1jba h GLU 11 Cb 0.08 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1jba h GLU 11 CO -0.01 0.15 0.00 -1.91 -1.18 0.00 0.00 179.01 176.07 1jba n GLU 12 N -5.17 0.00 0.50 1.92 4.07 -0.91 -4.51 120.64 116.54 1jba n GLU 12 Ca 0.26 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 57.16 1jba n GLU 12 Cb 0.82 -0.63 -0.09 0.00 -0.06 0.00 0.00 31.44 31.48 1jba n GLU 12 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 1jba h ASN 13 N 0.00 -1.08 0.00 4.31 -0.00 -1.23 -3.47 115.58 114.10 1jba h ASN 13 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.34 1jba h ASN 13 Cb 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 38.32 38.60 1jba h ASN 13 CO 0.00 -0.75 0.00 0.61 -0.00 0.00 0.00 177.43 177.29 1jba n GLY 14 N -1.48 0.34 3.57 1.57 0.00 0.54 -5.02 105.19 104.72 1jba n GLY 14 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 1jba n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba s ALA 15 N 0.00 -1.97 -1.77 4.61 0.00 -1.22 -4.78 121.76 116.62 1jba s ALA 15 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1jba s ALA 15 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.72 1jba s ALA 15 CO 0.00 -0.47 0.36 0.28 0.00 0.00 0.00 175.76 175.93 1jba n VAL 16 N 0.25 0.00 0.00 0.00 0.31 -1.26 -4.29 118.33 113.34 1jba n VAL 16 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1jba n VAL 16 Cb 0.59 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 1jba n VAL 16 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jba n GLY 17 N -0.85 0.38 0.00 2.92 0.00 -1.26 -4.68 105.19 101.70 1jba n GLY 17 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1jba n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 18 N -1.00 1.68 0.12 4.61 0.00 -1.26 -4.71 120.51 119.95 1jba n ALA 18 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1jba n ALA 18 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1jba n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba h ALA 19 N 0.32 -0.24 -0.81 0.00 0.00 -2.01 -2.70 119.26 113.82 1jba h ALA 19 Ca 0.00 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.02 1jba h ALA 19 Cb 0.00 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 17.78 1jba h ALA 19 CO 0.00 -0.65 -0.25 -0.44 0.00 0.00 0.00 179.25 177.91 1jba h ASP 20 N -0.26 -0.92 -0.30 0.00 3.32 -1.90 0.20 116.42 116.56 1jba h ASP 20 Ca -0.01 0.25 0.06 0.00 0.02 0.00 0.00 57.03 57.36 1jba h ASP 20 Cb 0.23 0.56 -0.06 0.00 0.22 0.00 0.00 39.33 40.27 1jba h ASP 20 CO 0.00 -0.28 -0.10 0.00 -1.72 0.00 0.00 179.24 177.14 1jba h ALA 21 N 1.63 0.17 -1.06 3.45 0.00 -1.76 0.18 119.26 121.87 1jba h ALA 21 Ca 0.36 0.12 0.34 0.00 0.00 0.00 0.00 54.91 55.73 1jba h ALA 21 Cb 0.60 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.51 1jba h ALA 21 CO -0.84 -0.49 0.63 0.00 0.00 0.00 0.00 179.25 178.55 1jba h ALA 22 N 1.25 2.12 -0.46 0.00 0.00 -0.35 1.15 119.26 122.97 1jba h ALA 22 Ca 0.15 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 1jba h ALA 22 Cb 0.26 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1jba h ALA 22 CO -0.33 -0.72 -0.08 0.37 0.00 0.00 0.00 179.25 178.49 1jba h GLN 23 N 0.29 0.87 -0.01 0.00 4.15 -0.61 -2.58 115.11 117.23 1jba h GLN 23 Ca 0.73 -0.32 -0.00 0.00 0.77 0.00 0.00 58.65 59.83 1jba h GLN 23 Cb 1.81 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.45 1jba h GLN 23 CO -0.54 0.96 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.25 1jba h LEU 24 N 0.72 0.01 -1.04 -2.39 4.07 0.16 -2.38 115.31 114.46 1jba h LEU 24 Ca 0.12 -0.37 0.24 0.00 0.08 0.00 0.00 57.88 57.95 1jba h LEU 24 Cb 0.62 -0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.24 1jba h LEU 24 CO 0.04 0.38 0.60 -0.61 -1.08 0.00 0.00 178.44 177.78 1jba h GLN 25 N -0.36 0.57 -0.19 1.13 -0.00 -0.19 0.66 115.11 116.73 1jba h GLN 25 Ca 0.00 -0.03 -0.12 0.00 -0.00 0.00 0.00 58.65 58.50 1jba h GLN 25 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.72 1jba h GLN 25 CO 0.00 0.38 -0.39 1.49 0.00 0.00 0.00 178.83 180.31 1jba h GLU 26 N 0.59 0.42 -0.09 1.69 4.81 -1.28 -0.87 114.58 119.85 1jba h GLU 26 Ca 0.63 -0.20 -0.22 0.00 -0.13 0.00 0.00 59.36 59.45 1jba h GLU 26 Cb 1.21 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.59 1jba h GLU 26 CO -0.45 0.75 -0.82 -1.49 -0.73 0.00 0.00 179.01 176.27 1jba h TRP 27 N 0.35 0.82 -0.29 0.92 6.55 0.63 -2.68 115.95 122.24 1jba h TRP 27 Ca 0.03 -0.38 -0.19 0.00 0.95 0.00 0.00 58.89 59.30 1jba h TRP 27 Cb 0.85 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 29.03 1jba h TRP 27 CO 0.03 1.19 -0.55 -0.92 -1.05 0.00 0.00 178.44 177.13 1jba h TYR 28 N 0.38 1.11 0.29 0.49 3.20 -0.31 -1.04 116.97 121.09 1jba h TYR 28 Ca -0.06 -0.40 -0.01 0.00 3.14 0.00 0.00 58.73 61.40 1jba h TYR 28 Cb 1.43 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.50 1jba h TYR 28 CO 0.07 1.23 -0.14 -0.22 -1.64 0.00 0.00 178.16 177.46 1jba h LYS 29 N 0.68 -0.37 0.00 1.82 1.63 -1.19 0.31 116.57 119.44 1jba h LYS 29 Ca 0.01 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1jba h LYS 29 Cb 1.16 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1jba h LYS 29 CO 0.12 -0.13 0.00 -0.22 -3.45 0.00 0.00 179.45 175.77 1jba h LYS 30 N -0.56 0.00 0.10 1.90 3.64 -1.53 -0.53 116.57 119.59 1jba h LYS 30 Ca -0.04 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 58.99 1jba h LYS 30 Cb 0.41 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1jba h LYS 30 CO 0.06 0.00 -1.97 0.34 -2.27 0.00 0.00 179.45 175.61 1jba n PHE 31 N -2.51 1.15 1.05 1.91 7.35 -0.39 -4.10 117.46 121.91 1jba n PHE 31 Ca 0.02 0.27 0.12 0.00 -0.76 0.00 0.00 57.45 57.10 1jba n PHE 31 Cb 0.25 -1.16 0.27 0.00 0.35 0.00 0.00 39.48 39.19 1jba n PHE 31 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1jba n LEU 32 N -3.39 0.62 0.09 -2.13 7.99 0.11 -2.94 117.00 117.35 1jba n LEU 32 Ca -0.30 -0.07 -0.17 0.00 -0.01 0.00 0.00 56.01 55.46 1jba n LEU 32 Cb 1.05 -0.22 -0.10 0.00 -0.11 0.00 0.00 43.42 44.05 1jba n LEU 32 CO 0.43 0.14 0.04 -0.08 -1.51 0.00 0.00 177.39 176.41 1jba h GLU 33 N 0.26 0.44 -0.03 3.23 4.81 -1.25 -3.07 114.58 118.97 1jba h GLU 33 Ca 0.00 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 1jba h GLU 33 Cb 0.50 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1jba h GLU 33 CO 0.00 1.22 -0.14 0.39 -0.73 0.00 0.00 179.01 179.75 1jba n GLU 34 N -3.70 1.98 -2.98 1.92 -0.58 -1.25 -4.76 120.64 111.26 1jba n GLU 34 Ca -0.09 -1.64 0.01 0.00 -0.42 0.00 0.00 57.16 55.02 1jba n GLU 34 Cb 0.93 -1.46 -0.00 0.00 -0.57 0.00 0.00 31.44 30.34 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jba n PRO 36 N 3.94 0.09 0.00 0.00 -0.02 -1.16 -3.86 135.00 133.99 1jba n PRO 36 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1jba n PRO 36 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.08 1jba n PRO 36 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jba n SER 37 N -0.95 0.00 -1.90 2.55 2.88 -1.26 -4.31 113.62 110.62 1jba n SER 37 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1jba n SER 37 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1jba n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jba n GLY 38 N 0.00 -0.66 3.28 0.46 0.00 -1.25 -5.06 105.19 101.96 1jba n GLY 38 Ca 0.00 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1jba n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jba s THR 39 N -2.45 0.02 -0.11 2.61 -4.23 -1.26 -4.47 115.64 105.75 1jba s THR 39 Ca 0.02 -0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.38 1jba s THR 39 Cb -0.01 -0.60 0.02 0.00 1.34 0.00 0.00 72.50 73.25 1jba s THR 39 CO 0.21 -0.09 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.28 1jba s LEU 40 N -0.43 1.72 0.26 4.79 1.43 -0.41 -4.97 118.68 121.06 1jba s LEU 40 Ca -0.06 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1jba s LEU 40 Cb -0.03 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 1jba s LEU 40 CO 0.02 0.01 0.25 -0.36 0.23 0.00 0.00 176.35 176.50 1jba s PHE 41 N 1.05 3.17 0.08 0.29 0.40 -1.26 -1.97 117.98 119.74 1jba s PHE 41 Ca -0.05 -0.11 -0.18 0.00 -0.60 0.00 0.00 56.93 55.99 1jba s PHE 41 Cb -0.15 -1.49 -0.05 0.00 0.51 0.00 0.00 43.02 41.84 1jba s PHE 41 CO -0.03 0.46 1.30 1.98 0.70 0.00 0.00 175.22 179.63 1jba h MET 42 N 1.38 -0.07 0.17 0.44 4.05 -2.00 0.54 114.93 119.43 1jba h MET 42 Ca -0.49 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 58.94 1jba h MET 42 Cb 1.24 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.03 1jba h MET 42 CO 0.60 -0.05 -0.21 1.25 0.23 0.00 0.00 176.91 178.73 1jba h HIS 43 N -0.08 -0.55 0.00 1.39 -0.00 -1.99 0.08 115.15 114.00 1jba h HIS 43 Ca 0.07 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1jba h HIS 43 Cb 0.27 0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 1jba h HIS 43 CO -0.88 -0.31 0.28 0.93 -0.00 0.00 0.00 177.93 177.95 1jba h GLU 44 N -0.43 0.00 0.07 5.26 4.39 -1.70 0.02 114.58 122.19 1jba h GLU 44 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1jba h GLU 44 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1jba h GLU 44 CO -0.08 0.00 -0.03 0.35 -1.16 0.00 0.00 179.01 178.09 1jba h PHE 45 N 0.00 -0.08 -0.37 4.33 3.57 0.21 -2.87 116.94 121.72 1jba h PHE 45 Ca 0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1jba h PHE 45 Cb 0.56 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1jba h PHE 45 CO 0.00 0.06 0.26 0.87 -2.23 0.00 0.00 178.31 177.26 1jba h LYS 46 N -1.02 0.15 0.22 1.11 1.57 -0.92 -0.70 116.57 116.98 1jba h LYS 46 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1jba h LYS 46 Cb 0.18 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1jba h LYS 46 CO 0.02 0.10 -0.10 0.00 -0.57 0.00 0.00 179.45 178.89 1jba h ARG 47 N 0.15 -0.28 0.00 3.15 2.47 -1.08 0.36 114.38 119.15 1jba h ARG 47 Ca 0.17 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1jba h ARG 47 Cb 0.47 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 1jba h ARG 47 CO -0.02 -0.19 0.00 1.19 0.56 0.00 0.00 179.97 181.51 1jba n PHE 48 N -2.79 0.53 0.00 3.04 3.01 -1.09 -1.43 117.46 118.73 1jba n PHE 48 Ca -0.04 0.24 0.00 0.00 1.01 0.00 0.00 57.45 58.67 1jba n PHE 48 Cb 0.12 -0.89 0.00 0.00 -0.01 0.00 0.00 39.48 38.70 1jba n PHE 48 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1jba n PHE 49 N -2.01 0.00 0.04 1.38 7.35 -0.29 -4.77 117.46 119.16 1jba n PHE 49 Ca 0.01 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.75 1jba n PHE 49 Cb 0.11 0.00 0.11 0.00 0.35 0.00 0.00 39.48 40.05 1jba n PHE 49 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1jba n LYS 50 N -0.76 2.08 -3.95 -4.13 4.81 -0.71 -5.01 118.16 110.49 1jba n LYS 50 Ca 0.00 -1.73 -0.30 0.00 -0.87 0.00 0.00 58.31 55.40 1jba n LYS 50 Cb 0.00 -1.24 0.01 0.00 0.02 0.00 0.00 35.03 33.82 1jba n LYS 50 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1jba n VAL 51 N 0.53 -1.68 -1.78 3.15 3.14 0.12 -4.70 118.33 117.10 1jba n VAL 51 Ca 0.10 -0.37 -0.37 0.00 -2.96 0.00 0.00 64.34 60.73 1jba n VAL 51 Cb 0.37 -1.44 -0.03 0.00 -1.06 0.00 0.00 33.84 31.68 1jba n VAL 51 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1jba s PRO 52 N -6.53 2.39 0.38 1.45 0.04 -1.26 -4.80 135.00 126.67 1jba s PRO 52 Ca 0.31 1.08 0.18 0.00 0.04 0.00 0.00 61.00 62.61 1jba s PRO 52 Cb -0.17 -4.48 0.72 0.00 0.04 0.00 0.00 34.50 30.60 1jba s PRO 52 CO 0.63 -2.98 1.76 0.38 0.04 0.00 0.00 177.00 176.83 1jba h ASP 53 N 17.29 0.00 -1.32 6.66 3.04 -1.98 -3.44 116.42 136.67 1jba h ASP 53 Ca -0.26 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.53 1jba h ASP 53 Cb 1.22 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 1jba h ASP 53 CO 1.18 0.37 0.00 -3.20 -2.04 0.00 0.00 179.24 175.55 1jba n ASN 54 N -3.62 0.00 -3.11 4.15 2.85 -1.26 -5.04 115.26 109.23 1jba n ASN 54 Ca -0.01 -0.46 -0.20 0.00 -0.11 0.00 0.00 54.58 53.80 1jba n ASN 54 Cb 0.49 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.47 1jba n ASN 54 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1jba n GLU 55 N -0.46 1.59 0.00 1.20 0.28 -1.26 -4.82 120.64 117.17 1jba n GLU 55 Ca 0.00 -3.78 0.00 0.00 -0.16 0.00 0.00 57.16 53.22 1jba n GLU 55 Cb 0.00 -1.84 0.00 0.00 1.43 0.00 0.00 31.44 31.03 1jba n GLU 55 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1jba n GLU 56 N 0.13 0.00 -0.35 3.44 0.28 -1.26 -4.82 120.64 118.06 1jba n GLU 56 Ca 0.26 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.27 1jba n GLU 56 Cb 0.59 -0.30 0.14 0.00 1.43 0.00 0.00 31.44 33.30 1jba n GLU 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jba n ALA 57 N -1.76 3.11 -0.09 -1.84 0.00 -1.26 -3.56 120.51 115.09 1jba n ALA 57 Ca 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 53.44 52.59 1jba n ALA 57 Cb 0.00 -1.06 -0.15 0.00 0.00 0.00 0.00 19.45 18.24 1jba n ALA 57 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1jba n THR 58 N 0.18 1.28 -0.26 0.00 5.66 -1.26 -4.15 114.28 115.73 1jba n THR 58 Ca 0.12 -0.79 -0.04 0.00 -3.05 0.00 0.00 64.05 60.30 1jba n THR 58 Cb 0.65 -0.52 0.13 0.00 -1.55 0.00 0.00 70.33 69.04 1jba n THR 58 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 1jba h GLN 59 N 0.00 1.11 0.54 1.09 5.75 -1.92 -1.34 115.11 120.34 1jba h GLN 59 Ca -0.50 -0.16 -0.03 0.00 -0.15 0.00 0.00 58.65 57.81 1jba h GLN 59 Cb 2.14 -0.20 0.01 0.00 1.07 0.00 0.00 27.48 30.50 1jba h GLN 59 CO 0.03 0.86 -0.26 -0.92 -2.65 0.00 0.00 178.83 175.89 1jba h TYR 60 N 1.10 -0.67 -0.88 3.99 3.20 -1.78 -2.72 116.97 119.21 1jba h TYR 60 Ca 0.27 -0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.32 1jba h TYR 60 Cb 0.12 0.22 -0.12 0.00 1.54 0.00 0.00 36.73 38.49 1jba h TYR 60 CO 0.01 -0.42 0.39 0.28 -1.64 0.00 0.00 178.16 176.78 1jba h VAL 61 N -0.90 0.52 -0.53 1.81 2.07 -1.71 0.15 116.25 117.66 1jba h VAL 61 Ca -0.07 -0.15 0.10 0.00 0.82 0.00 0.00 66.70 67.40 1jba h VAL 61 Cb 0.56 0.05 -0.09 0.00 -1.52 0.00 0.00 31.29 30.29 1jba h VAL 61 CO 0.12 0.08 0.01 -0.08 0.02 0.00 0.00 177.57 177.72 1jba h GLU 62 N 0.43 0.12 -0.98 1.57 4.22 -1.18 0.13 114.58 118.89 1jba h GLU 62 Ca 0.53 -0.01 0.15 0.00 0.08 0.00 0.00 59.36 60.12 1jba h GLU 62 Cb 0.97 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.11 1jba h GLU 62 CO -0.50 0.08 0.61 0.00 -2.18 0.00 0.00 179.01 177.02 1jba h ALA 63 N 1.47 1.67 -0.48 2.92 0.00 -0.39 -0.37 119.26 124.07 1jba h ALA 63 Ca 0.27 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.27 1jba h ALA 63 Cb 0.41 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1jba h ALA 63 CO -0.44 0.04 0.22 0.52 0.00 0.00 0.00 179.25 179.59 1jba h MET 64 N 0.83 0.42 0.00 0.00 2.86 -0.49 -0.08 114.93 118.47 1jba h MET 64 Ca 0.51 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 58.11 1jba h MET 64 Cb 0.70 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 1jba h MET 64 CO -0.29 0.28 -0.09 0.35 1.06 0.00 0.00 176.91 178.22 1jba h PHE 65 N 0.43 0.00 0.00 -0.22 3.04 -0.73 -2.27 116.94 117.18 1jba h PHE 65 Ca 0.22 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.17 1jba h PHE 65 Cb 0.17 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.68 1jba h PHE 65 CO -0.12 0.09 0.00 -2.13 -2.02 0.00 0.00 178.31 174.13 1jba n ARG 66 N -3.98 0.00 0.00 1.11 0.00 -0.11 -1.07 116.66 112.61 1jba n ARG 66 Ca -0.02 0.47 0.00 0.00 -0.00 0.00 0.00 57.85 58.29 1jba n ARG 66 Cb 0.18 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 31.54 1jba n ARG 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1jba n ALA 67 N -1.90 0.86 -0.45 5.13 0.00 -0.80 -3.55 120.51 119.79 1jba n ALA 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jba n ALA 67 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1jba n ALA 67 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jba n PHE 68 N -1.38 0.00 -2.46 0.00 -0.00 -0.86 -4.87 117.46 107.90 1jba n PHE 68 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 57.09 1jba n PHE 68 Cb 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.53 1jba n PHE 68 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1jba s ASP 69 N -2.56 6.38 0.00 -2.13 2.15 -0.23 -4.94 116.67 115.33 1jba s ASP 69 Ca 0.00 2.07 0.00 0.00 0.43 0.00 0.00 52.55 55.05 1jba s ASP 69 Cb 0.00 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1jba s ASP 69 CO 0.00 -0.76 0.00 0.35 -0.17 0.00 0.00 175.17 174.59 1jba n THR 70 N -0.61 0.00 -0.84 1.71 -2.24 -1.26 -4.53 114.28 106.51 1jba n THR 70 Ca 0.08 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.83 1jba n THR 70 Cb 0.50 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 1jba n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1jba n ASN 71 N 0.00 -0.90 -3.84 3.42 0.23 -1.26 -1.93 115.26 110.99 1jba n ASN 71 Ca 0.00 0.06 -0.36 0.00 -0.53 0.00 0.00 54.58 53.75 1jba n ASN 71 Cb 0.00 -1.14 0.03 0.00 -2.08 0.00 0.00 39.78 36.59 1jba n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jba n GLY 72 N -0.00 -0.97 0.00 4.83 0.00 -1.26 -4.85 105.19 102.94 1jba n GLY 72 Ca -0.02 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1jba n GLY 72 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jba n ASP 73 N -2.42 0.00 -2.54 1.61 5.75 -0.81 -5.01 116.55 113.13 1jba n ASP 73 Ca -0.12 -0.53 -0.01 0.00 -0.01 0.00 0.00 54.79 54.12 1jba n ASP 73 Cb 0.58 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1jba n ASP 73 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1jba n ASN 74 N 0.00 -1.03 -3.75 -1.12 6.94 -1.26 -4.85 115.26 110.19 1jba n ASN 74 Ca 0.00 0.47 -0.13 0.00 -0.02 0.00 0.00 54.58 54.89 1jba n ASN 74 Cb 0.13 -1.03 -0.10 0.00 -2.36 0.00 0.00 39.78 36.43 1jba n ASN 74 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1jba s THR 75 N -2.03 0.02 -0.10 5.53 2.01 -1.26 -4.59 115.64 115.22 1jba s THR 75 Ca 0.02 -0.16 0.04 0.00 0.31 0.00 0.00 61.69 61.89 1jba s THR 75 Cb -0.01 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.95 1jba s THR 75 CO 0.02 -0.09 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.01 1jba s ILE 76 N -0.35 1.91 0.40 1.82 1.01 -0.83 -4.93 121.20 120.23 1jba s ILE 76 Ca -0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.66 1jba s ILE 76 Cb -0.03 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1jba s ILE 76 CO 0.02 0.53 0.63 -0.62 0.00 0.00 0.00 174.94 175.49 1jba s ASP 77 N 0.43 6.23 0.59 3.58 -1.08 -1.26 -1.29 116.67 123.86 1jba s ASP 77 Ca -0.17 0.56 0.31 0.00 -0.52 0.00 0.00 52.55 52.73 1jba s ASP 77 Cb -0.17 -2.03 1.07 0.00 -1.46 0.00 0.00 42.92 40.32 1jba s ASP 77 CO 0.07 -0.42 1.33 0.33 0.52 0.00 0.00 175.17 177.00 1jba n PHE 78 N -1.95 0.00 0.00 -5.34 7.35 -1.26 -1.08 117.46 115.18 1jba n PHE 78 Ca -0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 1jba n PHE 78 Cb 0.56 -0.30 0.00 0.00 0.35 0.00 0.00 39.48 40.09 1jba n PHE 78 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1jba n LEU 79 N -3.35 0.09 -0.32 -2.13 7.99 -1.26 -2.31 117.00 115.70 1jba n LEU 79 Ca 0.27 0.48 0.18 0.00 -0.01 0.00 0.00 56.01 56.93 1jba n LEU 79 Cb 1.62 -0.48 0.38 0.00 -0.11 0.00 0.00 43.42 44.82 1jba n LEU 79 CO 0.27 -0.48 1.02 -0.33 -1.51 0.00 0.00 177.39 176.36 1jba h GLU 80 N 0.00 0.25 0.60 3.23 5.08 -1.69 0.43 114.58 122.48 1jba h GLU 80 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1jba h GLU 80 Cb 0.00 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.20 1jba h GLU 80 CO 0.00 0.17 -0.29 -0.92 -1.00 0.00 0.00 179.01 176.97 1jba h TYR 81 N 0.26 -0.74 -0.32 4.33 3.20 -1.25 -2.22 116.97 120.22 1jba h TYR 81 Ca 0.64 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.59 1jba h TYR 81 Cb 1.39 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.89 1jba h TYR 81 CO -0.15 -0.46 0.34 0.28 -1.64 0.00 0.00 178.16 176.53 1jba h VAL 82 N -0.80 0.43 -0.50 1.81 2.07 -0.82 0.14 116.25 118.56 1jba h VAL 82 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1jba h VAL 82 Cb 0.62 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1jba h VAL 82 CO 0.13 0.00 0.32 0.00 0.02 0.00 0.00 177.57 178.04 1jba h ALA 83 N 1.61 0.64 -0.50 1.67 0.00 0.40 -2.25 119.26 120.83 1jba h ALA 83 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jba h ALA 83 Cb 0.84 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1jba h ALA 83 CO -0.00 0.10 0.33 0.00 0.00 0.00 0.00 179.25 179.68 1jba h ALA 84 N 1.17 0.64 -0.23 0.00 0.00 -0.34 -2.86 119.26 117.63 1jba h ALA 84 Ca 0.18 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1jba h ALA 84 Cb -0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1jba h ALA 84 CO -0.04 0.09 -0.40 -0.07 0.00 0.00 0.00 179.25 178.83 1jba h LEU 85 N 0.68 -1.32 -0.95 0.00 3.38 -1.22 0.40 115.31 116.28 1jba h LEU 85 Ca 0.18 0.17 0.22 0.00 0.09 0.00 0.00 57.88 58.54 1jba h LEU 85 Cb -0.07 0.53 -0.18 0.00 0.09 0.00 0.00 40.66 41.04 1jba h LEU 85 CO -0.04 -0.31 -0.12 -1.13 0.09 0.00 0.00 178.44 176.93 1jba h ASN 86 N -0.34 -0.69 -0.08 -0.43 -0.73 -1.29 2.53 115.58 114.55 1jba h ASN 86 Ca 0.04 0.28 0.02 0.00 1.87 0.00 0.00 56.30 58.51 1jba h ASN 86 Cb 0.45 0.53 -0.06 0.00 0.27 0.00 0.00 38.32 39.52 1jba h ASN 86 CO -0.39 -0.32 -0.49 0.25 -0.37 0.00 0.00 177.43 176.11 1jba h LEU 87 N 0.01 -1.55 0.00 0.34 7.12 -0.72 -3.33 115.31 117.19 1jba h LEU 87 Ca 0.51 0.18 0.00 0.00 0.13 0.00 0.00 57.88 58.70 1jba h LEU 87 Cb 0.89 0.60 0.00 0.00 -0.53 0.00 0.00 40.66 41.62 1jba h LEU 87 CO -0.93 -0.45 -0.12 0.58 -0.13 0.00 0.00 178.44 177.39 1jba h VAL 88 N -0.56 0.00 -2.23 1.05 2.07 -0.31 -3.40 116.25 112.87 1jba h VAL 88 Ca 0.02 -0.68 -0.58 0.00 0.82 0.00 0.00 66.70 66.29 1jba h VAL 88 Cb 0.63 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1jba h VAL 88 CO -0.37 0.00 1.05 -0.11 0.02 0.00 0.00 177.57 178.16 1jba n LEU 89 N -3.87 3.60 -3.06 2.57 -0.00 0.83 -3.57 117.00 113.49 1jba n LEU 89 Ca -0.02 0.99 -0.10 0.00 -0.00 0.00 0.00 56.01 56.88 1jba n LEU 89 Cb 0.06 -1.44 0.01 0.00 -0.00 0.00 0.00 43.42 42.05 1jba n LEU 89 CO 0.03 -0.02 -0.34 -1.14 -0.00 0.00 0.00 177.39 175.92 1jba n ARG 90 N 5.77 -1.99 0.00 1.96 0.63 -1.26 -3.98 116.66 117.79 1jba n ARG 90 Ca 0.20 1.77 0.00 0.00 -0.92 0.00 0.00 57.85 58.90 1jba n ARG 90 Cb 0.32 -3.43 0.00 0.00 0.45 0.00 0.00 32.46 29.81 1jba n ARG 90 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jba n GLY 91 N 0.47 -0.14 0.11 5.14 0.00 -1.23 -4.75 105.19 104.78 1jba n GLY 91 Ca 0.01 0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.12 1jba n GLY 91 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jba n THR 92 N 0.00 0.45 -1.13 2.61 -2.24 -1.26 -4.65 114.28 108.06 1jba n THR 92 Ca 0.00 0.67 -0.37 0.00 -2.27 0.00 0.00 64.05 62.08 1jba n THR 92 Cb 0.00 -1.67 0.04 0.00 -2.10 0.00 0.00 70.33 66.60 1jba n THR 92 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jba n LEU 93 N -1.69 -3.55 0.03 3.22 4.32 -1.26 -4.82 117.00 113.24 1jba n LEU 93 Ca -0.00 0.44 0.13 0.00 -0.02 0.00 0.00 56.01 56.55 1jba n LEU 93 Cb 0.45 -0.90 0.53 0.00 -1.62 0.00 0.00 43.42 41.88 1jba n LEU 93 CO 0.02 -4.90 0.91 -1.84 -1.22 0.00 0.00 177.39 170.36 1jba n GLU 94 N 1.29 0.06 0.30 3.23 0.28 -1.26 -3.49 120.64 121.06 1jba n GLU 94 Ca 0.04 0.09 0.10 0.00 -0.16 0.00 0.00 57.16 57.23 1jba n GLU 94 Cb 0.51 -1.58 0.53 0.00 1.43 0.00 0.00 31.44 32.33 1jba n GLU 94 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 177.13 178.09 1jba h HIS 95 N 0.00 0.00 -0.23 -1.84 2.07 -1.89 0.66 115.15 113.92 1jba h HIS 95 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 1jba h HIS 95 Cb 0.51 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.48 1jba h HIS 95 CO 0.00 0.00 0.03 1.57 -3.07 0.00 0.00 177.93 176.46 1jba h LYS 96 N 0.00 0.33 -0.37 5.12 2.10 -1.87 -2.38 116.57 119.50 1jba h LYS 96 Ca 0.00 -0.05 0.04 0.00 -2.00 0.00 0.00 60.65 58.64 1jba h LYS 96 Cb 1.00 -0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 32.23 1jba h LYS 96 CO 0.00 0.34 0.14 -0.07 -2.00 0.00 0.00 179.45 177.85 1jba h LEU 97 N 0.33 0.16 0.93 7.07 3.38 0.04 0.42 115.31 127.63 1jba h LEU 97 Ca 0.08 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1jba h LEU 97 Cb 0.18 0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1jba h LEU 97 CO 0.00 0.13 -0.45 0.50 0.09 0.00 0.00 178.44 178.71 1jba h LYS 98 N 0.30 -1.20 -0.85 1.13 3.64 -1.58 0.89 116.57 118.90 1jba h LYS 98 Ca 0.17 0.08 0.19 0.00 -1.27 0.00 0.00 60.65 59.82 1jba h LYS 98 Cb 0.13 0.27 -0.11 0.00 -0.41 0.00 0.00 32.23 32.11 1jba h LYS 98 CO -0.16 -0.80 0.36 2.35 -2.27 0.00 0.00 179.45 178.93 1jba h TRP 99 N -1.28 0.60 -0.54 1.91 -0.00 -1.32 0.59 115.95 115.91 1jba h TRP 99 Ca -0.13 0.04 -0.09 0.00 -0.00 0.00 0.00 58.89 58.71 1jba h TRP 99 Cb 0.95 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.96 1jba h TRP 99 CO 0.01 -0.00 -0.01 1.15 -0.00 0.00 0.00 178.44 179.59 1jba h THR 100 N 0.42 1.26 0.00 2.65 2.02 0.18 -1.12 112.91 118.32 1jba h THR 100 Ca 0.51 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1jba h THR 100 Cb 0.90 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1jba h THR 100 CO -0.49 0.40 -0.02 0.15 0.37 0.00 0.00 175.52 175.93 1jba h PHE 101 N 0.84 0.00 -0.00 3.16 3.04 0.57 -0.56 116.94 123.98 1jba h PHE 101 Ca 0.15 0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.94 1jba h PHE 101 Cb 0.55 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.04 1jba h PHE 101 CO 0.04 0.02 -0.77 -0.22 -2.02 0.00 0.00 178.31 175.37 1jba h LYS 102 N 0.00 0.04 -0.32 1.11 1.63 0.11 -3.10 116.57 116.05 1jba h LYS 102 Ca -0.00 -0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 59.59 1jba h LYS 102 Cb 0.21 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1jba h LYS 102 CO 0.00 0.79 -0.45 0.82 -3.45 0.00 0.00 179.45 177.16 1jba h ILE 103 N 0.03 1.28 0.00 2.00 1.08 -0.79 -2.48 117.51 118.62 1jba h ILE 103 Ca -0.01 -1.64 0.00 0.00 -0.39 0.00 0.00 64.86 62.82 1jba h ILE 103 Cb 1.35 1.51 0.00 0.00 -3.07 0.00 0.00 36.82 36.61 1jba h ILE 103 CO 0.10 0.54 0.00 -1.22 -0.69 0.00 0.00 178.15 176.88 1jba n TYR 104 N -4.03 0.00 -3.86 1.37 4.01 -1.08 -4.46 117.16 109.12 1jba n TYR 104 Ca -0.03 -0.02 -0.30 0.00 -0.16 0.00 0.00 57.90 57.39 1jba n TYR 104 Cb 0.57 -0.09 -0.15 0.00 -0.31 0.00 0.00 39.34 39.36 1jba n TYR 104 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jba s ASP 105 N -0.12 4.05 0.00 7.72 1.01 -0.94 -4.58 116.67 123.82 1jba s ASP 105 Ca 0.00 -1.56 0.22 0.00 0.71 0.00 0.00 52.55 51.92 1jba s ASP 105 Cb 0.00 -1.10 -0.08 0.00 1.01 0.00 0.00 42.92 42.74 1jba s ASP 105 CO 0.00 -0.35 1.01 1.17 0.21 0.00 0.00 175.17 177.21 1jba n LYS 106 N 4.68 0.36 0.00 8.23 4.81 -1.26 -4.81 118.16 130.18 1jba n LYS 106 Ca -0.04 -0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.10 1jba n LYS 106 Cb 0.43 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.99 1jba n LYS 106 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1jba n ASP 107 N -1.06 0.00 0.10 3.14 5.68 -1.26 -4.95 116.55 118.20 1jba n ASP 107 Ca 0.06 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.33 1jba n ASP 107 Cb 0.37 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.58 1jba n ASP 107 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1jba h ARG 108 N 0.00 0.22 0.00 0.11 2.47 -1.92 -3.45 114.38 111.81 1jba h ARG 108 Ca 0.00 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 1jba h ARG 108 Cb 0.00 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1jba h ARG 108 CO 0.00 0.60 0.00 0.09 0.56 0.00 0.00 179.97 181.22 1jba n ASN 109 N -4.02 0.00 0.18 7.04 3.02 -1.26 -4.52 115.26 115.69 1jba n ASN 109 Ca -0.02 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.71 1jba n ASN 109 Cb 0.48 -0.12 0.72 0.00 -0.61 0.00 0.00 39.78 40.25 1jba n ASN 109 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1jba h GLY 110 N 0.00 0.00 -3.04 7.41 0.00 -1.97 -3.41 103.07 102.06 1jba h GLY 110 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1jba h GLY 110 CO 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 176.54 176.38 1jba s ILE 112 N -3.84 4.60 0.26 0.00 1.01 0.45 -4.79 121.20 118.89 1jba s ILE 112 Ca 0.05 -0.13 0.10 0.00 0.00 0.00 0.00 60.65 60.67 1jba s ILE 112 Cb 0.03 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 1jba s ILE 112 CO -0.10 0.58 -0.16 -0.62 0.00 0.00 0.00 174.94 174.64 1jba s ASP 113 N -0.63 3.20 0.66 3.58 2.15 -1.26 -2.77 116.67 121.59 1jba s ASP 113 Ca 0.11 -1.06 0.32 0.00 0.43 0.00 0.00 52.55 52.35 1jba s ASP 113 Cb -0.12 -0.24 1.73 0.00 -0.30 0.00 0.00 42.92 43.99 1jba s ASP 113 CO 0.02 -0.09 1.99 0.03 -0.17 0.00 0.00 175.17 176.95 1jba h ARG 114 N 2.34 0.00 0.02 4.34 -0.00 -1.94 -1.32 114.38 117.81 1jba h ARG 114 Ca -0.40 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.05 1jba h ARG 114 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.22 1jba h ARG 114 CO 0.62 0.00 -0.14 1.96 0.00 0.00 0.00 179.97 182.42 1jba h GLN 115 N 0.00 0.06 -0.90 0.04 4.20 -1.99 -1.55 115.11 114.98 1jba h GLN 115 Ca 0.02 -0.09 0.13 0.00 0.06 0.00 0.00 58.65 58.78 1jba h GLN 115 Cb 0.61 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.35 1jba h GLN 115 CO -0.00 0.98 0.58 0.93 -0.67 0.00 0.00 178.83 180.64 1jba h GLU 116 N -0.80 0.72 0.01 1.46 5.08 -1.57 -2.38 114.58 117.10 1jba h GLU 116 Ca -0.02 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1jba h GLU 116 Cb 1.04 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1jba h GLU 116 CO 0.03 0.48 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.44 1jba h LEU 117 N 0.74 -0.01 -1.79 1.33 3.38 -1.56 -2.80 115.31 114.60 1jba h LEU 117 Ca 0.45 -0.83 0.45 0.00 0.09 0.00 0.00 57.88 58.04 1jba h LEU 117 Cb 0.66 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 1jba h LEU 117 CO -0.21 0.87 1.23 0.25 0.09 0.00 0.00 178.44 180.68 1jba h LEU 118 N -0.94 0.00 0.06 1.67 5.85 -0.92 1.85 115.31 122.88 1jba h LEU 118 Ca -0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 1jba h LEU 118 Cb 0.84 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.88 1jba h LEU 118 CO 0.00 0.00 -0.49 -0.78 -0.34 0.00 0.00 178.44 176.83 1jba h ASP 119 N 0.00 0.33 0.29 1.25 3.58 -1.41 -2.47 116.42 117.99 1jba h ASP 119 Ca 0.74 -0.89 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 1jba h ASP 119 Cb 3.20 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 44.14 1jba h ASP 119 CO -0.01 1.19 -0.14 0.40 -2.88 0.00 0.00 179.24 177.81 1jba h ILE 120 N -0.48 0.00 -0.92 2.25 1.08 0.29 -2.93 117.51 116.81 1jba h ILE 120 Ca -0.08 -0.17 0.26 0.00 -0.39 0.00 0.00 64.86 64.48 1jba h ILE 120 Cb 1.32 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.91 1jba h ILE 120 CO 0.09 0.00 0.17 -0.37 -0.69 0.00 0.00 178.15 177.35 1jba h VAL 121 N -0.56 0.18 -0.76 1.67 -1.51 -0.69 1.02 116.25 115.61 1jba h VAL 121 Ca -0.04 -0.04 0.18 0.00 -1.23 0.00 0.00 66.70 65.57 1jba h VAL 121 Cb 0.29 0.07 -0.12 0.00 -2.13 0.00 0.00 31.29 29.39 1jba h VAL 121 CO 0.06 0.02 0.10 -0.08 -1.23 0.00 0.00 177.57 176.44 1jba h GLU 122 N 0.11 0.16 0.29 5.19 4.81 -1.41 1.20 114.58 124.93 1jba h GLU 122 Ca 0.58 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.79 1jba h GLU 122 Cb 1.22 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1jba h GLU 122 CO -0.76 0.11 -0.14 1.03 -0.73 0.00 0.00 179.01 178.52 1jba h SER 123 N 0.17 -0.33 0.17 1.04 0.87 0.12 -2.65 113.55 112.96 1jba h SER 123 Ca 0.43 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.89 1jba h SER 123 Cb 0.77 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.80 1jba h SER 123 CO -0.61 -0.08 -0.18 0.40 -0.53 0.00 0.00 176.83 175.82 1jba h ILE 124 N -0.56 0.59 -0.92 2.23 2.04 -0.28 -2.24 117.51 118.37 1jba h ILE 124 Ca -0.04 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.08 1jba h ILE 124 Cb 0.41 0.59 -0.16 0.00 -0.74 0.00 0.00 36.82 36.93 1jba h ILE 124 CO 0.06 0.00 0.20 0.22 0.00 0.00 0.00 178.15 178.64 1jba h TYR 125 N -0.39 0.28 0.31 1.37 3.20 0.14 0.17 116.97 122.04 1jba h TYR 125 Ca 0.00 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1jba h TYR 125 Cb 0.38 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1jba h TYR 125 CO -0.15 -0.30 -0.24 -0.22 -1.64 0.00 0.00 178.16 175.61 1jba h LYS 126 N 0.13 -0.53 0.49 1.82 1.63 -1.03 -1.49 116.57 117.58 1jba h LYS 126 Ca 0.59 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.41 1jba h LYS 126 Cb 1.26 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 33.00 1jba h LYS 126 CO -0.74 -0.36 -0.28 1.25 -3.45 0.00 0.00 179.45 175.87 1jba h LEU 127 N -0.55 -0.69 -1.48 5.20 7.12 -0.56 -2.35 115.31 122.00 1jba h LEU 127 Ca -0.02 0.04 0.31 0.00 0.13 0.00 0.00 57.88 58.34 1jba h LEU 127 Cb 0.48 0.20 -0.09 0.00 -0.53 0.00 0.00 40.66 40.72 1jba h LEU 127 CO -0.01 -0.45 0.74 0.50 -0.13 0.00 0.00 178.44 179.09 1jba h LYS 128 N -0.72 0.26 -0.99 1.25 3.64 -0.77 0.27 116.57 119.51 1jba h LYS 128 Ca -0.06 -0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.49 1jba h LYS 128 Cb 0.58 -0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.25 1jba h LYS 128 CO 0.07 0.17 0.61 -0.22 -2.27 0.00 0.00 179.45 177.82 1jba h LYS 129 N 0.27 0.71 0.00 1.90 3.11 -0.69 0.41 116.57 122.27 1jba h LYS 129 Ca 0.63 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.43 1jba h LYS 129 Cb 1.84 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.91 1jba h LYS 129 CO -0.27 0.47 -0.24 0.00 -2.81 0.00 0.00 179.45 176.60 1jba n ALA 130 N -2.37 2.78 0.67 5.00 0.00 0.94 -3.71 120.51 123.81 1jba n ALA 130 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1jba n ALA 130 Cb 0.57 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1jba n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba n SER 132 N -0.07 -4.80 -3.90 0.00 7.64 -1.24 -4.97 113.62 106.29 1jba n SER 132 Ca 0.00 -0.30 -0.28 0.00 1.01 0.00 0.00 58.87 59.30 1jba n SER 132 Cb 0.07 -3.47 -0.12 0.00 -1.01 0.00 0.00 64.21 59.68 1jba n SER 132 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1jba s VAL 133 N -3.13 2.88 -1.16 0.44 1.01 -1.26 -4.86 120.40 114.32 1jba s VAL 133 Ca 0.33 -4.29 0.28 0.00 0.00 0.00 0.00 61.98 58.31 1jba s VAL 133 Cb -0.14 -2.89 0.27 0.00 0.00 0.00 0.00 36.38 33.61 1jba s VAL 133 CO 0.41 -1.01 1.84 -0.62 0.00 0.00 0.00 175.10 175.72 1jba n GLU 134 N 1.96 0.17 -0.76 2.72 -0.58 -1.26 -4.17 120.64 118.71 1jba n GLU 134 Ca 0.20 -0.04 -0.10 0.00 -0.42 0.00 0.00 57.16 56.80 1jba n GLU 134 Cb 0.35 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.60 1jba n GLU 134 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1jba n VAL 135 N -1.38 2.31 1.06 2.62 0.31 -1.26 -4.09 118.33 117.90 1jba n VAL 135 Ca 0.09 -1.17 0.12 0.00 -0.01 0.00 0.00 64.34 63.37 1jba n VAL 135 Cb 0.31 -1.91 0.24 0.00 -0.91 0.00 0.00 33.84 31.58 1jba n VAL 135 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1jba n GLU 136 N 2.72 2.15 0.00 5.55 0.28 -1.26 -4.65 120.64 125.43 1jba n GLU 136 Ca 0.34 -1.68 0.00 0.00 -0.16 0.00 0.00 57.16 55.66 1jba n GLU 136 Cb 0.65 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 32.05 1jba n GLU 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jba n ALA 137 N 1.01 0.00 -0.03 -1.84 0.00 -1.26 -4.48 120.51 113.91 1jba n ALA 137 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.50 1jba n ALA 137 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 1jba n ALA 137 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1jba h GLU 138 N 0.00 -0.35 -4.71 0.00 3.07 -1.83 -3.37 114.58 107.39 1jba h GLU 138 Ca 0.00 0.02 -0.69 0.00 -0.50 0.00 0.00 59.36 58.20 1jba h GLU 138 Cb 0.00 0.08 -0.24 0.00 -0.84 0.00 0.00 28.75 27.75 1jba h GLU 138 CO 0.00 -0.24 -0.56 -1.14 -1.40 0.00 0.00 179.01 175.68 1jba s GLN 139 N -4.84 3.07 0.00 2.33 -0.44 -1.26 -5.02 119.66 113.51 1jba s GLN 139 Ca -0.10 -0.89 0.00 0.00 -2.50 0.00 0.00 55.36 51.86 1jba s GLN 139 Cb 0.05 -3.58 0.00 0.00 -1.64 0.00 0.00 33.01 27.84 1jba s GLN 139 CO 0.42 -0.53 0.00 0.94 0.50 0.00 0.00 175.29 176.62 1jba n GLN 140 N 4.96 0.00 0.00 1.67 -0.06 -1.26 -4.97 117.38 117.71 1jba n GLN 140 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.87 1jba n GLN 140 Cb 0.48 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.66 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1jba n GLY 141 N 0.00 0.00 3.09 1.69 0.00 -1.26 -5.06 105.19 103.65 1jba n GLY 141 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1jba n GLY 141 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jba s LYS 142 N -1.71 0.32 -0.66 1.61 -2.85 -1.26 -5.08 119.74 110.11 1jba s LYS 142 Ca 0.00 0.05 -0.31 0.00 -1.00 0.00 0.00 55.97 54.71 1jba s LYS 142 Cb 0.00 0.14 -0.15 0.00 -2.06 0.00 0.00 37.83 35.77 1jba s LYS 142 CO 0.00 -0.06 2.46 -0.11 0.10 0.00 0.00 175.35 177.74 1jba n LEU 143 N 2.46 1.35 -4.55 2.77 -0.00 -1.26 -4.78 117.00 112.98 1jba n LEU 143 Ca -0.16 0.06 -0.38 0.00 -0.00 0.00 0.00 56.01 55.53 1jba n LEU 143 Cb 0.58 -1.20 -0.03 0.00 -0.00 0.00 0.00 43.42 42.77 1jba n LEU 143 CO 0.20 -0.98 1.81 -0.22 -0.00 0.00 0.00 177.39 178.20 1jba s LEU 144 N 9.38 3.36 0.30 -1.96 1.98 -1.26 -4.87 118.68 125.61 1jba s LEU 144 Ca 1.18 0.80 0.08 0.00 -2.89 0.00 0.00 54.13 53.29 1jba s LEU 144 Cb -0.86 -2.61 -0.03 0.00 0.66 0.00 0.00 46.19 43.35 1jba s LEU 144 CO 0.43 -2.57 0.19 0.42 -1.89 0.00 0.00 176.35 172.94 1jba s THR 145 N 10.43 3.70 0.59 3.68 -4.23 -1.26 -4.93 115.64 123.61 1jba s THR 145 Ca 0.83 -1.52 0.29 0.00 -1.18 0.00 0.00 61.69 60.11 1jba s THR 145 Cb -0.16 -3.17 0.36 0.00 1.34 0.00 0.00 72.50 70.88 1jba s THR 145 CO 0.24 -0.26 2.10 -0.65 -0.54 0.00 0.00 174.62 175.52 1jba h PRO 146 N 1.47 0.00 0.02 3.99 0.10 -2.01 -0.57 132.00 135.00 1jba h PRO 146 Ca -0.46 0.00 -0.30 0.00 0.10 0.00 0.00 66.00 65.34 1jba h PRO 146 Cb 1.25 0.00 -0.04 0.00 0.10 0.00 0.00 31.00 32.30 1jba h PRO 146 CO 0.60 0.00 -1.75 0.39 0.10 0.00 0.00 178.00 177.34 1jba n GLU 147 N -3.82 0.65 0.38 1.05 4.71 -1.26 -3.89 120.64 118.47 1jba n GLU 147 Ca 0.02 0.30 -0.18 0.00 -0.01 0.00 0.00 57.16 57.29 1jba n GLU 147 Cb 0.33 -1.78 -0.09 0.00 -1.01 0.00 0.00 31.44 28.88 1jba n GLU 147 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1jba h GLU 148 N 0.01 -0.92 -0.79 3.49 4.81 -1.46 -2.01 114.58 117.72 1jba h GLU 148 Ca -0.31 0.06 0.17 0.00 -0.13 0.00 0.00 59.36 59.16 1jba h GLU 148 Cb 2.02 0.21 -0.11 0.00 0.63 0.00 0.00 28.75 31.50 1jba h GLU 148 CO 0.08 -0.60 0.28 -0.39 -0.73 0.00 0.00 179.01 177.66 1jba h VAL 149 N -1.03 0.55 -0.71 0.32 -1.51 -1.63 0.63 116.25 112.87 1jba h VAL 149 Ca -0.10 -0.13 0.05 0.00 -1.23 0.00 0.00 66.70 65.30 1jba h VAL 149 Cb 0.75 0.15 -0.04 0.00 -2.13 0.00 0.00 31.29 30.01 1jba h VAL 149 CO 0.16 0.07 0.47 0.58 -1.23 0.00 0.00 177.57 177.62 1jba h VAL 150 N 0.37 1.05 0.00 7.19 2.07 -1.62 0.20 116.25 125.51 1jba h VAL 150 Ca 0.46 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1jba h VAL 150 Cb 0.79 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1jba h VAL 150 CO -0.48 0.14 -0.16 -0.67 0.02 0.00 0.00 177.57 176.42 1jba n ASP 151 N -4.47 0.60 -0.05 0.57 2.03 0.18 -2.95 116.55 112.47 1jba n ASP 151 Ca 0.10 0.41 -0.15 0.00 0.52 0.00 0.00 54.79 55.67 1jba n ASP 151 Cb 0.19 -0.47 -0.13 0.00 -0.72 0.00 0.00 41.12 39.99 1jba n ASP 151 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1jba h ARG 152 N 0.00 0.06 -0.06 -0.67 9.65 0.27 -2.77 114.38 120.85 1jba h ARG 152 Ca 0.00 -0.09 -0.05 0.00 -1.10 0.00 0.00 59.98 58.74 1jba h ARG 152 Cb 0.67 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.28 1jba h ARG 152 CO 0.00 0.98 -0.20 0.82 2.80 0.00 0.00 179.97 184.37 1jba h ILE 153 N -0.82 1.18 0.58 1.20 2.04 -1.32 -2.09 117.51 118.28 1jba h ILE 153 Ca -0.02 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 1jba h ILE 153 Cb 1.04 1.37 0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1jba h ILE 153 CO 0.03 0.25 -0.28 0.15 0.00 0.00 0.00 178.15 178.29 1jba h PHE 154 N 0.09 -0.73 -0.80 1.37 3.04 -1.59 -2.86 116.94 115.47 1jba h PHE 154 Ca 0.02 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.02 1jba h PHE 154 Cb 0.42 0.24 -0.06 0.00 2.56 0.00 0.00 35.95 39.11 1jba h PHE 154 CO 0.00 -0.45 0.47 -0.07 -2.02 0.00 0.00 178.31 176.24 1jba h LEU 155 N -1.16 0.70 -0.12 0.59 3.38 -1.48 2.27 115.31 119.49 1jba h LEU 155 Ca -0.08 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1jba h LEU 155 Cb 0.60 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1jba h LEU 155 CO 0.13 0.43 -0.41 0.25 0.09 0.00 0.00 178.44 178.93 1jba h LEU 156 N 0.82 -1.26 0.22 1.67 7.12 -1.42 -3.04 115.31 119.42 1jba h LEU 156 Ca 0.36 0.17 -0.33 0.00 0.13 0.00 0.00 57.88 58.21 1jba h LEU 156 Cb 0.25 0.51 0.03 0.00 -0.53 0.00 0.00 40.66 40.92 1jba h LEU 156 CO -0.21 -0.42 -1.53 -0.37 -0.13 0.00 0.00 178.44 175.79 1jba h VAL 157 N -0.49 1.16 0.00 1.05 -1.51 -1.22 -3.46 116.25 111.78 1jba h VAL 157 Ca 0.08 -2.60 0.00 0.00 -1.23 0.00 0.00 66.70 62.94 1jba h VAL 157 Cb 0.62 2.94 0.00 0.00 -2.13 0.00 0.00 31.29 32.72 1jba h VAL 157 CO -0.38 0.81 0.00 -0.67 -1.23 0.00 0.00 177.57 176.10 1jba n ASP 158 N -3.72 0.00 -0.01 4.19 2.03 0.76 -4.71 116.55 115.09 1jba n ASP 158 Ca -0.20 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.11 1jba n ASP 158 Cb 1.06 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.46 1jba n ASP 158 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1jba n GLU 159 N 0.00 -0.02 0.06 -0.67 4.07 -1.25 -4.89 120.64 117.93 1jba n GLU 159 Ca 0.00 0.16 -0.06 0.00 -0.06 0.00 0.00 57.16 57.20 1jba n GLU 159 Cb 0.00 -3.33 -0.10 0.00 -0.06 0.00 0.00 31.44 27.95 1jba n GLU 159 CO 0.00 0.00 0.00 -2.95 -0.06 0.00 0.00 177.13 174.12 1jba h ASN 160 N 0.00 0.00 0.00 4.31 7.08 -1.92 -3.48 115.58 121.57 1jba h ASN 160 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1jba h ASN 160 Cb 0.01 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.25 1jba h ASN 160 CO 0.00 0.93 0.00 0.61 -2.08 0.00 0.00 177.43 176.89 1jba n GLY 161 N 1.36 0.29 0.00 9.14 0.00 -1.26 -5.10 105.19 109.62 1jba n GLY 161 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1jba n GLY 161 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jba n ASP 162 N 0.00 0.00 0.00 1.61 5.68 -1.26 -5.04 116.55 117.54 1jba n ASP 162 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1jba n ASP 162 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1jba n ASP 162 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jba n GLY 163 N -0.66 -0.52 3.16 6.12 0.00 -1.26 -5.13 105.19 106.90 1jba n GLY 163 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1jba n GLY 163 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jba s GLN 164 N 0.00 2.05 -0.23 1.61 0.74 -1.26 -4.99 119.66 117.58 1jba s GLN 164 Ca 0.00 -0.68 -0.11 0.00 0.05 0.00 0.00 55.36 54.62 1jba s GLN 164 Cb 0.00 -1.74 -0.05 0.00 1.10 0.00 0.00 33.01 32.33 1jba s GLN 164 CO 0.00 0.25 0.20 -1.17 -0.55 0.00 0.00 175.29 174.02 1jba s LEU 165 N 0.07 4.14 0.54 3.68 2.96 -1.12 -4.96 118.68 124.00 1jba s LEU 165 Ca -0.06 0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 1jba s LEU 165 Cb -0.13 -2.18 0.03 0.00 0.50 0.00 0.00 46.19 44.41 1jba s LEU 165 CO 0.03 0.06 0.26 -0.44 -1.32 0.00 0.00 176.35 174.94 1jba s SER 166 N 0.95 4.44 0.04 3.68 0.01 -1.26 0.17 113.70 121.73 1jba s SER 166 Ca 0.10 -1.44 -0.26 0.00 1.31 0.00 0.00 55.95 55.66 1jba s SER 166 Cb -0.13 0.56 -0.17 0.00 0.21 0.00 0.00 66.02 66.49 1jba s SER 166 CO 0.04 -1.06 1.45 0.25 0.41 0.00 0.00 173.24 174.33 1jba h LEU 167 N 0.93 -0.25 -0.73 2.44 5.85 -1.92 0.21 115.31 121.84 1jba h LEU 167 Ca -0.39 -0.15 0.14 0.00 0.84 0.00 0.00 57.88 58.32 1jba h LEU 167 Cb 1.31 0.06 -0.14 0.00 0.37 0.00 0.00 40.66 42.27 1jba h LEU 167 CO 0.63 0.01 -0.23 0.78 -0.34 0.00 0.00 178.44 179.29 1jba h ASN 168 N -0.51 -0.84 -0.06 1.25 2.35 -1.96 0.43 115.58 116.23 1jba h ASN 168 Ca -0.03 0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1jba h ASN 168 Cb 0.38 0.51 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 1jba h ASN 168 CO 0.05 -0.26 -0.28 -0.33 -1.65 0.00 0.00 177.43 174.95 1jba h GLU 169 N -0.04 0.51 0.00 0.81 5.08 -1.94 -2.69 114.58 116.31 1jba h GLU 169 Ca 0.33 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1jba h GLU 169 Cb 0.55 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1jba h GLU 169 CO -0.77 0.75 0.00 0.34 -1.00 0.00 0.00 179.01 178.33 1jba n PHE 170 N -4.10 0.00 -0.31 4.33 -0.00 0.14 -1.18 117.46 116.34 1jba n PHE 170 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.47 1jba n PHE 170 Cb 0.43 -0.14 0.10 0.00 -0.00 0.00 0.00 39.48 39.87 1jba n PHE 170 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.76 176.37 1jba h VAL 171 N 0.00 0.13 -0.62 -2.13 -1.51 -1.36 2.74 116.25 113.49 1jba h VAL 171 Ca 0.00 0.00 0.17 0.00 -1.23 0.00 0.00 66.70 65.64 1jba h VAL 171 Cb 0.00 0.13 -0.03 0.00 -2.13 0.00 0.00 31.29 29.26 1jba h VAL 171 CO 0.00 0.00 0.44 -0.33 -1.23 0.00 0.00 177.57 176.45 1jba h GLU 172 N -0.01 0.03 -0.00 5.19 4.39 -1.47 0.63 114.58 123.35 1jba h GLU 172 Ca 0.40 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1jba h GLU 172 Cb 0.63 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1jba h GLU 172 CO -0.89 0.02 -0.34 0.41 -1.16 0.00 0.00 179.01 177.05 1jba n GLY 173 N -1.65 -0.05 0.05 -3.84 0.00 0.38 -4.47 105.19 95.61 1jba n GLY 173 Ca 0.12 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 45.90 1jba n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 174 N -0.71 3.52 -0.01 4.61 0.00 0.83 -4.43 120.51 124.32 1jba n ALA 174 Ca 0.03 -0.38 -0.11 0.00 0.00 0.00 0.00 53.44 52.98 1jba n ALA 174 Cb 0.19 -0.46 -0.14 0.00 0.00 0.00 0.00 19.45 19.05 1jba n ALA 174 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1jba h ARG 175 N 0.26 0.07 -2.70 0.00 2.43 0.06 -3.43 114.38 111.06 1jba h ARG 175 Ca 0.00 -0.12 -0.60 0.00 -0.81 0.00 0.00 59.98 58.46 1jba h ARG 175 Cb 0.32 0.04 -0.39 0.00 -0.42 0.00 0.00 29.97 29.52 1jba h ARG 175 CO 0.00 0.70 -0.82 0.50 -1.51 0.00 0.00 179.97 178.84 1jba s ARG 176 N -2.60 1.13 -0.30 0.20 3.52 -1.26 -5.05 118.95 114.60 1jba s ARG 176 Ca -0.08 -2.04 -0.09 0.00 -0.13 0.00 0.00 55.73 53.38 1jba s ARG 176 Cb 0.08 -1.93 0.18 0.00 -1.56 0.00 0.00 34.95 31.72 1jba s ARG 176 CO 0.82 -1.26 0.93 -0.51 -0.81 0.00 0.00 175.30 174.46 1jba s ASP 177 N 0.21 -0.72 -1.37 -2.12 1.01 -1.26 -4.89 116.67 107.52 1jba s ASP 177 Ca 0.23 0.41 -0.15 0.00 0.71 0.00 0.00 52.55 53.75 1jba s ASP 177 Cb -0.13 1.59 0.01 0.00 1.01 0.00 0.00 42.92 45.40 1jba s ASP 177 CO -0.08 -0.13 2.21 0.29 0.21 0.00 0.00 175.17 177.66 1jba n LYS 178 N 5.44 2.70 0.02 8.23 5.02 -1.26 -3.81 118.16 134.50 1jba n LYS 178 Ca -0.04 -2.49 0.00 0.00 -2.02 0.00 0.00 58.31 53.76 1jba n LYS 178 Cb 0.53 -3.23 0.00 0.00 -0.02 0.00 0.00 35.03 32.32 1jba n LYS 178 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1jba n TRP 179 N 6.21 -1.62 -0.06 2.13 -0.00 -1.26 -4.97 117.44 117.87 1jba n TRP 179 Ca 0.52 0.16 -0.11 0.00 -0.00 0.00 0.00 57.50 58.07 1jba n TRP 179 Cb 0.39 0.62 -0.05 0.00 -0.00 0.00 0.00 31.31 32.27 1jba n TRP 179 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 177.69 177.30 1jba h VAL 180 N 0.00 1.24 -0.45 5.87 -1.51 -1.90 -1.80 116.25 117.69 1jba h VAL 180 Ca 0.00 -0.79 0.13 0.00 -1.23 0.00 0.00 66.70 64.81 1jba h VAL 180 Cb 0.00 1.38 -0.02 0.00 -2.13 0.00 0.00 31.29 30.52 1jba h VAL 180 CO 0.00 0.24 0.35 -0.03 -1.23 0.00 0.00 177.57 176.90 1jba h MET 181 N 0.11 0.00 0.04 5.19 1.85 -1.86 0.30 114.93 120.57 1jba h MET 181 Ca 0.06 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.15 1jba h MET 181 Cb 0.34 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.37 1jba h MET 181 CO 0.01 0.00 -0.02 0.87 -0.40 0.00 0.00 176.91 177.37 1jba h LYS 182 N 0.00 -0.05 -0.81 0.39 1.79 -1.73 -2.61 116.57 113.54 1jba h LYS 182 Ca 0.21 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.75 1jba h LYS 182 Cb 0.92 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.52 1jba h LYS 182 CO -0.00 0.32 0.49 0.52 -1.08 0.00 0.00 179.45 179.70 1jba h MET 183 N -0.99 0.87 -0.41 3.15 2.86 -0.88 0.40 114.93 119.93 1jba h MET 183 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1jba h MET 183 Cb 0.40 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1jba h MET 183 CO 0.01 0.58 0.27 -0.07 1.06 0.00 0.00 176.91 178.76 1jba h LEU 184 N 0.90 0.47 0.00 1.22 3.38 -0.53 -3.34 115.31 117.41 1jba h LEU 184 Ca 0.36 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1jba h LEU 184 Cb 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1jba h LEU 184 CO -0.18 0.35 0.00 1.67 0.09 0.00 0.00 178.44 180.37 1jba n GLN 185 N -4.80 0.00 0.00 1.13 -0.06 -0.74 -5.01 117.38 107.90 1jba n GLN 185 Ca 0.01 0.26 0.00 0.00 -2.00 0.00 0.00 57.00 55.27 1jba n GLN 185 Cb 0.02 -0.83 0.00 0.00 -4.06 0.00 0.00 30.24 25.38 1jba n GLN 185 CO 0.00 0.00 0.00 -0.12 -0.20 0.00 0.00 177.06 176.74 1jba n MET 186 N -1.29 0.00 0.00 3.69 0.00 0.13 -5.06 117.12 114.59 1jba n MET 186 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1jba n MET 186 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1jba n MET 186 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1jba n ASP 187 N -0.18 0.00 0.00 6.12 8.00 -1.25 -4.35 116.55 124.89 1jba n ASP 187 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1jba n ASP 187 Cb 0.00 0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 1jba n ASP 187 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1jba n LEU 188 N -2.18 0.07 -0.25 0.64 7.94 -1.26 -4.69 117.00 117.27 1jba n LEU 188 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 1jba n LEU 188 Cb 0.00 -0.47 0.05 0.00 0.53 0.00 0.00 43.42 43.53 1jba n LEU 188 CO 0.00 -0.03 1.14 0.78 -1.11 0.00 0.00 177.39 178.16 1jba h ASN 189 N 0.00 0.82 0.00 1.96 4.21 -1.98 -3.55 115.58 117.05 1jba h ASN 189 Ca 0.00 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.46 1jba h ASN 189 Cb 0.00 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 36.99 1jba h ASN 189 CO 0.00 0.63 0.00 -2.65 -1.29 0.00 0.00 177.43 174.12