#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jba n GLN 3 N 0.00 0.00 0.00 1.61 6.02 -1.26 -4.88 117.38 118.87 1jba n GLN 3 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1jba n GLN 3 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1jba n GLN 3 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1jba n GLN 4 N 14.00 0.00 -0.33 -1.09 -0.06 -1.26 -5.03 117.38 123.61 1jba n GLN 4 Ca 0.00 0.00 0.11 0.00 -2.00 0.00 0.00 57.00 55.11 1jba n GLN 4 Cb 0.00 0.00 0.29 0.00 -4.06 0.00 0.00 30.24 26.47 1jba n GLN 4 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1jba n PHE 5 N 0.00 0.87 -2.30 3.69 3.01 -1.26 -5.00 117.46 116.47 1jba n PHE 5 Ca 0.00 -0.48 0.00 0.00 1.01 0.00 0.00 57.45 57.98 1jba n PHE 5 Cb 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1jba n PHE 5 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1jba n SER 6 N 1.46 0.00 -4.89 4.37 3.41 -1.26 -4.93 113.62 111.78 1jba n SER 6 Ca 0.22 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.54 1jba n SER 6 Cb 0.59 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1jba n SER 6 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1jba s TRP 7 N -2.60 3.57 0.46 7.33 0.51 -1.26 -4.95 118.94 122.00 1jba s TRP 7 Ca 0.00 1.06 0.11 0.00 -2.12 0.00 0.00 56.10 55.14 1jba s TRP 7 Cb 0.00 -2.50 1.03 0.00 -0.81 0.00 0.00 33.47 31.19 1jba s TRP 7 CO 0.00 -0.42 2.09 1.49 -0.51 0.00 0.00 176.95 179.61 1jba h GLU 8 N 0.19 0.32 0.47 4.98 4.81 -2.01 -2.67 114.58 120.66 1jba h GLU 8 Ca -0.46 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1jba h GLU 8 Cb 1.20 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1jba h GLU 8 CO 0.62 0.21 -0.40 0.93 -0.73 0.00 0.00 179.01 179.64 1jba h GLU 9 N 0.33 -0.83 -0.69 1.92 4.39 -1.94 -2.25 114.58 115.50 1jba h GLU 9 Ca 0.09 0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.93 1jba h GLU 9 Cb -0.02 0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 28.75 1jba h GLU 9 CO -0.02 -0.56 0.35 0.00 -1.16 0.00 0.00 179.01 177.63 1jba h ALA 10 N -0.52 0.94 -0.22 3.43 0.00 -1.69 0.96 119.26 122.16 1jba h ALA 10 Ca -0.05 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1jba h ALA 10 Cb 0.75 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1jba h ALA 10 CO -0.02 -0.02 -0.49 0.93 0.00 0.00 0.00 179.25 179.65 1jba h GLU 11 N 0.62 -0.47 0.00 0.00 4.39 -1.13 -3.33 114.58 114.66 1jba h GLU 11 Ca 0.33 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1jba h GLU 11 Cb 0.31 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1jba h GLU 11 CO -0.24 -0.31 0.00 -1.91 -1.16 0.00 0.00 179.01 175.39 1jba n GLU 12 N -5.43 0.00 -1.64 2.33 0.00 -0.88 -4.83 120.64 110.18 1jba n GLU 12 Ca -0.04 0.17 -0.41 0.00 0.00 0.00 0.00 57.16 56.87 1jba n GLU 12 Cb 0.37 -0.77 0.01 0.00 0.00 0.00 0.00 31.44 31.05 1jba n GLU 12 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1jba n ASN 13 N -1.00 1.75 -0.03 4.31 5.03 0.29 -4.88 115.26 120.73 1jba n ASN 13 Ca 0.00 1.07 -0.07 0.00 0.87 0.00 0.00 54.58 56.44 1jba n ASN 13 Cb 0.00 -1.41 0.10 0.00 -1.02 0.00 0.00 39.78 37.45 1jba n ASN 13 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1jba h GLY 14 N 1.76 0.69 -3.37 7.41 0.00 -1.83 -3.38 103.07 104.35 1jba h GLY 14 Ca -0.45 -0.66 -0.17 0.00 0.00 0.00 0.00 47.33 46.05 1jba h GLY 14 CO 0.58 0.59 -0.63 0.00 0.00 0.00 0.00 176.54 177.09 1jba n ALA 15 N -2.50 3.02 -0.20 3.60 0.00 -1.26 -4.99 120.51 118.17 1jba n ALA 15 Ca -0.01 -1.53 0.00 0.00 0.00 0.00 0.00 53.44 51.89 1jba n ALA 15 Cb 0.49 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1jba n ALA 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jba n VAL 16 N -0.24 0.00 -2.90 0.00 0.31 -1.26 -4.89 118.33 109.35 1jba n VAL 16 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1jba n VAL 16 Cb 0.88 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.81 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 0.00 -1.74 1.45 2.92 0.00 -1.26 -5.06 105.19 101.51 1jba n GLY 17 Ca 0.00 -1.22 0.18 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 -3.80 1.41 4.61 0.00 -1.26 -3.90 120.51 117.56 1jba n ALA 18 Ca 0.00 0.75 0.08 0.00 0.00 0.00 0.00 53.44 54.27 1jba n ALA 18 Cb 0.00 -1.48 0.46 0.00 0.00 0.00 0.00 19.45 18.43 1jba n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba n ALA 19 N -3.51 2.30 -0.96 0.00 0.00 -1.26 -3.92 120.51 113.15 1jba n ALA 19 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1jba n ALA 19 Cb 0.68 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1jba n ALA 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jba n ASP 20 N -0.85 0.00 -0.32 0.00 8.00 -1.25 -2.36 116.55 119.76 1jba n ASP 20 Ca 0.12 0.40 0.18 0.00 0.71 0.00 0.00 54.79 56.20 1jba n ASP 20 Cb 0.05 -0.02 0.43 0.00 -0.02 0.00 0.00 41.12 41.56 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jba h ALA 21 N -2.00 1.98 -0.66 2.24 0.00 -1.71 0.72 119.26 119.83 1jba h ALA 21 Ca 0.00 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1jba h ALA 21 Cb 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.65 1jba h ALA 21 CO 0.00 -0.37 -0.19 0.00 0.00 0.00 0.00 179.25 178.69 1jba h ALA 22 N 1.65 0.38 -0.74 0.00 0.00 -1.68 2.57 119.26 121.44 1jba h ALA 22 Ca 0.58 0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.77 1jba h ALA 22 Cb 1.22 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 19.51 1jba h ALA 22 CO -0.34 -0.45 0.47 1.96 0.00 0.00 0.00 179.25 180.89 1jba h GLN 23 N -0.02 0.90 -0.32 0.00 1.08 -0.47 -2.12 115.11 114.15 1jba h GLN 23 Ca 0.31 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 57.29 1jba h GLN 23 Cb 0.50 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1jba h GLN 23 CO -0.69 0.60 -0.47 -0.07 -0.95 0.00 0.00 178.83 177.24 1jba h LEU 24 N 0.93 0.95 -0.85 1.46 4.07 0.29 -2.84 115.31 119.31 1jba h LEU 24 Ca 0.29 -0.48 0.22 0.00 0.08 0.00 0.00 57.88 58.00 1jba h LEU 24 Cb -0.00 -0.27 -0.14 0.00 1.08 0.00 0.00 40.66 41.33 1jba h LEU 24 CO -0.10 1.27 0.18 -0.61 -1.08 0.00 0.00 178.44 178.09 1jba h GLN 25 N 0.69 0.18 -0.23 1.13 4.15 0.48 0.91 115.11 122.42 1jba h GLN 25 Ca 0.04 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 1jba h GLN 25 Cb 1.07 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 1jba h GLN 25 CO 0.11 0.12 -0.07 1.49 -1.93 0.00 0.00 178.83 178.55 1jba h GLU 26 N 0.18 0.45 -0.00 1.69 4.57 -1.40 -0.53 114.58 119.55 1jba h GLU 26 Ca 0.52 -0.18 0.01 0.00 -1.18 0.00 0.00 59.36 58.53 1jba h GLU 26 Cb 1.01 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 1jba h GLU 26 CO -0.66 0.69 -0.05 -1.49 -1.18 0.00 0.00 179.01 176.33 1jba h TRP 27 N 0.18 -0.11 -0.10 0.92 6.55 -0.09 1.07 115.95 124.36 1jba h TRP 27 Ca 0.06 0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.86 1jba h TRP 27 Cb 0.53 0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.88 1jba h TRP 27 CO 0.05 -0.07 -0.10 -0.92 -1.05 0.00 0.00 178.44 176.34 1jba h TYR 28 N -0.08 0.16 0.00 0.49 3.20 0.62 -2.47 116.97 118.89 1jba h TYR 28 Ca 0.02 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1jba h TYR 28 Cb 0.11 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1jba h TYR 28 CO -0.12 0.26 -0.30 -0.22 -1.64 0.00 0.00 178.16 176.14 1jba h LYS 29 N 0.15 0.00 -1.19 1.82 3.64 -0.46 -1.70 116.57 118.84 1jba h LYS 29 Ca 0.03 0.00 0.34 0.00 -1.27 0.00 0.00 60.65 59.75 1jba h LYS 29 Cb 0.29 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 1jba h LYS 29 CO 0.02 0.61 0.84 0.87 -2.27 0.00 0.00 179.45 179.52 1jba h LYS 30 N -1.00 0.04 0.09 1.90 1.57 0.12 2.52 116.57 121.81 1jba h LYS 30 Ca -0.07 -0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.37 1jba h LYS 30 Cb 0.73 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1jba h LYS 30 CO -0.04 0.03 -1.91 0.34 -0.57 0.00 0.00 179.45 177.29 1jba n PHE 31 N -4.23 1.11 1.05 -1.35 7.35 -0.94 -4.32 117.46 116.13 1jba n PHE 31 Ca 0.26 0.27 0.12 0.00 -0.76 0.00 0.00 57.45 57.34 1jba n PHE 31 Cb 1.23 -1.14 0.23 0.00 0.35 0.00 0.00 39.48 40.15 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 -3.66 0.70 -0.07 -2.13 4.77 -0.51 -4.10 117.00 112.01 1jba n LEU 32 Ca -0.33 -0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 55.40 1jba n LEU 32 Cb 0.98 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.83 1jba n LEU 32 CO 0.37 0.16 0.78 -0.08 -1.33 0.00 0.00 177.39 177.29 1jba h GLU 33 N 0.32 0.38 -0.00 3.23 4.57 0.41 -1.78 114.58 121.70 1jba h GLU 33 Ca 0.00 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1jba h GLU 33 Cb 0.51 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1jba h GLU 33 CO 0.00 0.54 0.00 -1.91 -1.18 0.00 0.00 179.01 176.46 1jba n GLU 34 N -4.70 1.03 -3.15 1.92 4.07 -1.26 -4.55 120.64 114.01 1jba n GLU 34 Ca -0.04 -0.04 0.04 0.00 -0.06 0.00 0.00 57.16 57.07 1jba n GLU 34 Cb 0.21 -1.40 -0.00 0.00 -0.06 0.00 0.00 31.44 30.19 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jba s PRO 36 N 2.87 4.17 -1.91 0.00 0.02 -1.06 -1.39 135.00 137.70 1jba s PRO 36 Ca 0.15 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1jba s PRO 36 Cb -0.09 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1jba s PRO 36 CO -0.24 -0.57 0.00 0.45 -0.33 0.00 0.00 177.00 176.31 1jba n SER 37 N 2.40 -5.39 -4.66 2.53 2.88 -1.26 -4.88 113.62 105.23 1jba n SER 37 Ca 0.08 0.27 -0.43 0.00 -1.33 0.00 0.00 58.87 57.47 1jba n SER 37 Cb 0.38 -4.65 -0.02 0.00 -0.75 0.00 0.00 64.21 59.16 1jba n SER 37 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1jba s GLY 38 N -2.39 1.58 0.26 0.46 0.00 -0.49 -5.01 107.32 101.74 1jba s GLY 38 Ca 0.00 0.75 0.06 0.00 0.00 0.00 0.00 44.72 45.53 1jba s GLY 38 CO 0.00 2.82 0.30 -0.51 0.00 0.00 0.00 173.10 175.72 1jba s THR 39 N 3.81 4.68 0.26 0.90 -4.23 -1.26 -4.78 115.64 115.02 1jba s THR 39 Ca 0.66 -1.18 -0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1jba s THR 39 Cb -0.29 -3.58 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 1jba s THR 39 CO 0.24 -0.31 0.46 -0.76 -0.54 0.00 0.00 174.62 173.71 1jba s LEU 40 N -3.95 4.15 0.10 4.79 1.43 -1.00 -4.99 118.68 119.20 1jba s LEU 40 Ca 0.35 0.42 0.05 0.00 -1.03 0.00 0.00 54.13 53.93 1jba s LEU 40 Cb -0.08 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 42.87 1jba s LEU 40 CO 0.27 -0.14 -0.14 -0.36 0.23 0.00 0.00 176.35 176.21 1jba s PHE 41 N -2.05 1.30 0.50 0.29 0.40 -1.26 -2.58 117.98 114.58 1jba s PHE 41 Ca 0.39 -0.51 0.37 0.00 -0.60 0.00 0.00 56.93 56.57 1jba s PHE 41 Cb -0.10 -0.71 1.52 0.00 0.51 0.00 0.00 43.02 44.24 1jba s PHE 41 CO 0.31 0.09 1.68 0.00 0.70 0.00 0.00 175.22 178.01 1jba h MET 42 N 3.91 0.07 0.02 0.44 -0.00 -1.98 0.44 114.93 117.82 1jba h MET 42 Ca -0.40 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.26 1jba h MET 42 Cb 1.19 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.78 1jba h MET 42 CO 0.45 0.05 -0.13 0.45 -0.00 0.00 0.00 176.91 177.73 1jba h HIS 43 N 0.07 0.06 0.00 -0.10 3.86 -1.97 -2.81 115.15 114.27 1jba h HIS 43 Ca 0.75 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.92 1jba h HIS 43 Cb 2.71 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 31.17 1jba h HIS 43 CO -0.00 1.05 0.00 0.93 0.86 0.00 0.00 177.93 180.77 1jba h GLU 44 N -0.93 0.00 0.00 2.45 4.39 -1.05 -2.04 114.58 117.40 1jba h GLU 44 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1jba h GLU 44 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1jba h GLU 44 CO 0.01 0.00 -0.07 0.35 -1.16 0.00 0.00 179.01 178.14 1jba h PHE 45 N 0.00 0.00 -1.06 4.33 3.57 -0.35 -2.31 116.94 121.13 1jba h PHE 45 Ca 0.00 0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.78 1jba h PHE 45 Cb 0.14 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.79 1jba h PHE 45 CO 0.00 0.00 0.69 -0.22 -2.23 0.00 0.00 178.31 176.55 1jba h LYS 46 N -0.75 0.34 0.00 1.11 3.64 -1.42 -0.65 116.57 118.85 1jba h LYS 46 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1jba h LYS 46 Cb 0.07 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1jba h LYS 46 CO 0.00 0.22 0.00 -2.13 -2.27 0.00 0.00 179.45 175.27 1jba n ARG 47 N -4.60 0.00 0.00 1.90 0.63 -0.78 -1.49 116.66 112.33 1jba n ARG 47 Ca 0.26 0.30 0.00 0.00 -0.92 0.00 0.00 57.85 57.48 1jba n ARG 47 Cb 0.92 -0.92 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1jba n ARG 47 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1jba n PHE 48 N -1.39 0.00 0.00 -0.14 7.35 -0.87 -0.87 117.46 121.55 1jba n PHE 48 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1jba n PHE 48 Cb 0.00 -0.16 0.00 0.00 0.35 0.00 0.00 39.48 39.67 1jba n PHE 48 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1jba n PHE 49 N -1.14 0.00 0.54 -5.13 7.35 -0.26 -4.86 117.46 113.97 1jba n PHE 49 Ca 0.00 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.75 1jba n PHE 49 Cb 0.31 -0.01 -0.02 0.00 0.35 0.00 0.00 39.48 40.12 1jba n PHE 49 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1jba n LYS 50 N -2.01 2.23 -2.96 -4.13 4.76 -0.91 -5.02 118.16 110.12 1jba n LYS 50 Ca 0.00 -0.52 -0.00 0.00 -2.87 0.00 0.00 58.31 54.92 1jba n LYS 50 Cb 0.00 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 1jba n LYS 50 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1jba n VAL 51 N -0.46 -0.01 -0.14 -0.18 3.14 -0.05 -4.86 118.33 115.78 1jba n VAL 51 Ca 0.04 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 1jba n VAL 51 Cb 0.24 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.01 1jba n VAL 51 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1jba n PRO 52 N -0.67 -0.04 0.10 1.45 -0.05 -1.26 -5.05 135.00 129.48 1jba n PRO 52 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 1jba n PRO 52 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 1jba n PRO 52 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1jba n ASP 53 N -1.31 0.30 0.16 3.54 2.03 -1.26 -4.76 116.55 115.24 1jba n ASP 53 Ca 0.00 0.33 0.11 0.00 0.52 0.00 0.00 54.79 55.75 1jba n ASP 53 Cb 0.00 0.11 0.58 0.00 -0.72 0.00 0.00 41.12 41.09 1jba n ASP 53 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1jba n ASN 54 N -3.43 0.55 0.00 1.67 5.15 -1.26 -4.76 115.26 113.18 1jba n ASN 54 Ca 0.00 0.76 0.00 0.00 -0.60 0.00 0.00 54.58 54.74 1jba n ASN 54 Cb 0.02 -0.83 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 1jba n ASN 54 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1jba n GLU 55 N -2.24 0.00 -0.33 1.20 2.13 -1.26 -4.65 120.64 115.49 1jba n GLU 55 Ca -0.01 0.00 0.28 0.00 0.66 0.00 0.00 57.16 58.09 1jba n GLU 55 Cb 0.03 -0.76 0.54 0.00 0.27 0.00 0.00 31.44 31.52 1jba n GLU 55 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1jba h GLU 56 N 0.00 0.15 -1.53 5.31 5.08 -1.94 0.92 114.58 122.57 1jba h GLU 56 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1jba h GLU 56 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1jba h GLU 56 CO 0.00 0.10 0.00 0.00 -1.00 0.00 0.00 179.01 178.11 1jba n ALA 57 N -2.28 2.47 -0.09 3.43 0.00 -1.26 -3.06 120.51 119.72 1jba n ALA 57 Ca 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.69 1jba n ALA 57 Cb 1.15 -1.10 -0.15 0.00 0.00 0.00 0.00 19.45 19.35 1jba n ALA 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jba n THR 58 N 0.96 1.43 -0.24 0.00 -1.04 0.32 -4.16 114.28 111.55 1jba n THR 58 Ca 0.00 -0.83 -0.02 0.00 -2.04 0.00 0.00 64.05 61.15 1jba n THR 58 Cb 0.34 -0.60 0.09 0.00 -1.82 0.00 0.00 70.33 68.33 1jba n THR 58 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1jba h GLN 59 N 0.00 0.75 0.93 -2.82 7.50 -1.75 0.92 115.11 120.63 1jba h GLN 59 Ca -0.51 -0.04 -0.05 0.00 0.50 0.00 0.00 58.65 58.54 1jba h GLN 59 Cb 2.20 -0.17 0.01 0.00 0.05 0.00 0.00 27.48 29.57 1jba h GLN 59 CO 0.03 0.49 -0.45 -0.92 -1.50 0.00 0.00 178.83 176.49 1jba h TYR 60 N 0.77 -1.15 -0.52 2.96 3.20 -1.83 -2.00 116.97 118.40 1jba h TYR 60 Ca 0.29 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.14 1jba h TYR 60 Cb 0.11 0.38 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1jba h TYR 60 CO -0.06 -0.72 0.34 0.28 -1.64 0.00 0.00 178.16 176.36 1jba h VAL 61 N -1.33 1.13 -1.05 1.81 2.07 -1.69 -0.72 116.25 116.48 1jba h VAL 61 Ca -0.13 -0.24 0.28 0.00 0.82 0.00 0.00 66.70 67.43 1jba h VAL 61 Cb 0.96 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 1jba h VAL 61 CO 0.21 0.13 0.71 -0.08 0.02 0.00 0.00 177.57 178.55 1jba h GLU 62 N 0.69 0.24 -0.24 1.57 4.81 0.95 0.39 114.58 122.99 1jba h GLU 62 Ca 0.19 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1jba h GLU 62 Cb -0.07 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1jba h GLU 62 CO -0.04 0.16 -0.08 0.00 -0.73 0.00 0.00 179.01 178.31 1jba h ALA 63 N 1.56 0.34 -0.09 2.92 0.00 -0.35 -2.06 119.26 121.57 1jba h ALA 63 Ca 0.56 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1jba h ALA 63 Cb 1.70 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.34 1jba h ALA 63 CO -0.18 0.16 -0.43 1.98 0.00 0.00 0.00 179.25 180.78 1jba h MET 64 N 0.22 -0.51 -0.50 0.00 1.85 0.07 0.54 114.93 116.60 1jba h MET 64 Ca 0.06 0.03 0.08 0.00 -0.61 0.00 0.00 59.70 59.26 1jba h MET 64 Cb 0.56 0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.68 1jba h MET 64 CO 0.03 -0.34 0.34 0.35 -0.40 0.00 0.00 176.91 176.89 1jba h PHE 65 N -0.52 0.37 0.32 1.39 3.04 -1.44 0.11 116.94 120.20 1jba h PHE 65 Ca 0.06 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.01 1jba h PHE 65 Cb 0.64 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.03 1jba h PHE 65 CO -0.47 0.19 -0.16 -0.09 -2.02 0.00 0.00 178.31 175.76 1jba h ARG 66 N 0.36 -0.42 -0.46 1.11 2.43 0.04 2.21 114.38 119.66 1jba h ARG 66 Ca 0.22 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1jba h ARG 66 Cb 0.42 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1jba h ARG 66 CO -0.05 -0.09 0.26 0.00 -1.51 0.00 0.00 179.97 178.57 1jba h ALA 67 N -0.34 1.60 0.00 2.80 0.00 0.41 -3.21 119.26 120.52 1jba h ALA 67 Ca -0.04 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1jba h ALA 67 Cb 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1jba h ALA 67 CO 0.07 0.35 -0.97 0.74 0.00 0.00 0.00 179.25 179.44 1jba h PHE 68 N 0.63 0.00 -1.54 0.00 0.04 -0.76 -3.42 116.94 111.89 1jba h PHE 68 Ca 0.16 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.33 1jba h PHE 68 Cb 0.01 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.05 1jba h PHE 68 CO 0.00 1.20 1.31 0.34 -0.60 0.00 0.00 178.31 180.56 1jba s ASP 69 N -6.60 6.44 0.00 2.17 2.15 0.75 -4.59 116.67 116.99 1jba s ASP 69 Ca -0.25 -1.33 0.00 0.00 0.43 0.00 0.00 52.55 51.40 1jba s ASP 69 Cb 0.04 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 1jba s ASP 69 CO 0.54 -1.51 0.20 0.41 -0.17 0.00 0.00 175.17 174.64 1jba n THR 70 N 6.60 0.00 -0.46 1.71 -1.04 -1.26 -4.50 114.28 115.34 1jba n THR 70 Ca 0.25 -0.41 0.37 0.00 -2.04 0.00 0.00 64.05 62.23 1jba n THR 70 Cb 0.50 1.09 0.67 0.00 -1.82 0.00 0.00 70.33 70.78 1jba n THR 70 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1jba h ASN 71 N 0.00 0.20 0.00 8.00 -0.26 -1.92 -3.44 115.58 118.16 1jba h ASN 71 Ca 0.00 0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 1jba h ASN 71 Cb 0.05 0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 1jba h ASN 71 CO 0.00 -0.10 0.00 0.61 -1.06 0.00 0.00 177.43 176.88 1jba n GLY 72 N -1.61 1.00 0.92 2.83 0.00 -1.26 -4.96 105.19 102.11 1jba n GLY 72 Ca 0.35 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 3.01 0.00 1.61 5.75 -1.26 -4.92 116.55 120.74 1jba n ASP 73 Ca 0.00 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1jba n ASP 73 Cb 0.00 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1jba n ASP 73 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1jba n ASN 74 N 1.18 0.00 -4.61 -1.12 3.02 -1.26 -4.87 115.26 107.60 1jba n ASN 74 Ca 0.15 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.42 1jba n ASN 74 Cb 0.52 -0.93 -0.09 0.00 -0.61 0.00 0.00 39.78 38.67 1jba n ASN 74 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1jba s THR 75 N -0.91 3.44 -0.21 3.41 -4.23 -1.26 -4.51 115.64 111.37 1jba s THR 75 Ca 0.00 -1.48 -0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1jba s THR 75 Cb 0.00 -2.69 0.06 0.00 1.34 0.00 0.00 72.50 71.20 1jba s THR 75 CO 0.00 -0.06 -0.04 -0.51 -0.54 0.00 0.00 174.62 173.47 1jba s ILE 76 N -1.61 1.28 0.72 2.99 2.07 -1.07 -4.93 121.20 120.66 1jba s ILE 76 Ca 0.25 -0.98 -0.11 0.00 -1.41 0.00 0.00 60.65 58.40 1jba s ILE 76 Cb -0.09 -1.56 0.03 0.00 0.13 0.00 0.00 42.46 40.96 1jba s ILE 76 CO 0.16 -0.06 1.07 -0.62 -1.91 0.00 0.00 174.94 173.58 1jba s ASP 77 N 1.52 5.07 0.24 4.50 -1.08 -1.26 -2.36 116.67 123.30 1jba s ASP 77 Ca -0.04 1.66 -0.14 0.00 -0.52 0.00 0.00 52.55 53.51 1jba s ASP 77 Cb -0.18 -2.48 0.31 0.00 -1.46 0.00 0.00 42.92 39.12 1jba s ASP 77 CO -0.07 -1.65 1.56 0.15 0.52 0.00 0.00 175.17 175.68 1jba h PHE 78 N -0.86 -0.86 0.00 -5.34 3.57 -1.96 -2.37 116.94 109.12 1jba h PHE 78 Ca -0.44 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1jba h PHE 78 Cb 1.22 0.52 0.00 0.00 2.79 0.00 0.00 35.95 40.48 1jba h PHE 78 CO 0.60 -0.41 0.00 1.28 -2.23 0.00 0.00 178.31 177.55 1jba n LEU 79 N -5.52 0.00 -0.38 0.59 7.99 -1.26 -1.73 117.00 116.69 1jba n LEU 79 Ca 0.12 1.00 -0.10 0.00 -0.01 0.00 0.00 56.01 57.02 1jba n LEU 79 Cb 0.43 -0.50 -0.09 0.00 -0.11 0.00 0.00 43.42 43.15 1jba n LEU 79 CO -0.12 -0.50 0.45 -0.62 -1.51 0.00 0.00 177.39 175.10 1jba n GLU 80 N -2.80 -0.39 -0.02 3.23 1.02 -0.90 -1.69 120.64 119.08 1jba n GLU 80 Ca 0.00 1.39 -0.01 0.00 -0.02 0.00 0.00 57.16 58.52 1jba n GLU 80 Cb 0.00 -2.05 -0.01 0.00 -0.02 0.00 0.00 31.44 29.36 1jba n GLU 80 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1jba h TYR 81 N 0.00 -0.16 -0.95 -0.32 3.20 -1.32 -1.12 116.97 116.30 1jba h TYR 81 Ca 0.14 0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.21 1jba h TYR 81 Cb 0.37 0.07 -0.18 0.00 1.54 0.00 0.00 36.73 38.53 1jba h TYR 81 CO -0.96 -0.04 -0.23 0.28 -1.64 0.00 0.00 178.16 175.57 1jba n VAL 82 N -3.02 -0.40 -0.28 1.81 0.31 -0.71 0.12 118.33 116.17 1jba n VAL 82 Ca -0.00 2.18 0.10 0.00 -0.01 0.00 0.00 64.34 66.60 1jba n VAL 82 Cb 0.03 -3.02 0.25 0.00 -0.91 0.00 0.00 33.84 30.19 1jba n VAL 82 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jba h ALA 83 N 1.90 1.22 -0.47 3.52 0.00 -0.31 0.17 119.26 125.30 1jba h ALA 83 Ca 0.46 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.56 1jba h ALA 83 Cb 0.70 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1jba h ALA 83 CO -0.98 -0.31 0.25 0.00 0.00 0.00 0.00 179.25 178.20 1jba h ALA 84 N 1.66 0.59 -0.15 0.00 0.00 0.14 -2.66 119.26 118.84 1jba h ALA 84 Ca 0.49 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.43 1jba h ALA 84 Cb 0.88 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1jba h ALA 84 CO -0.51 -0.09 -0.25 -0.07 0.00 0.00 0.00 179.25 178.33 1jba h LEU 85 N 0.49 -0.82 -1.97 0.00 3.38 -0.39 0.48 115.31 116.50 1jba h LEU 85 Ca 0.20 0.10 0.35 0.00 0.09 0.00 0.00 57.88 58.63 1jba h LEU 85 Cb 0.09 0.33 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1jba h LEU 85 CO -0.13 -0.19 0.90 -0.55 0.09 0.00 0.00 178.44 178.56 1jba h ASN 86 N -0.20 0.00 0.99 -0.43 7.08 -1.39 2.51 115.58 124.15 1jba h ASN 86 Ca 0.03 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.25 1jba h ASN 86 Cb 0.28 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.52 1jba h ASN 86 CO -0.25 0.00 0.00 -0.11 -2.08 0.00 0.00 177.43 174.99 1jba n LEU 87 N -4.10 0.01 0.13 6.14 -0.00 0.16 -4.41 117.00 114.93 1jba n LEU 87 Ca 0.26 0.50 0.00 0.00 -0.00 0.00 0.00 56.01 56.77 1jba n LEU 87 Cb 1.29 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 44.22 1jba n LEU 87 CO 0.40 -0.01 0.00 0.52 -0.00 0.00 0.00 177.39 178.30 1jba n VAL 88 N -1.51 0.20 0.00 1.96 0.31 0.73 -4.76 118.33 115.25 1jba n VAL 88 Ca 0.07 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1jba n VAL 88 Cb 0.34 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 1jba n VAL 88 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1jba n LEU 89 N -3.49 0.00 -4.63 7.52 7.94 0.50 -4.56 117.00 120.29 1jba n LEU 89 Ca 0.00 0.63 -0.29 0.00 -1.11 0.00 0.00 56.01 55.24 1jba n LEU 89 Cb 0.00 -0.13 0.21 0.00 0.53 0.00 0.00 43.42 44.03 1jba n LEU 89 CO 0.00 -0.13 0.62 -0.13 -1.11 0.00 0.00 177.39 176.64 1jba s ARG 90 N -1.53 -0.41 0.20 1.96 1.81 -1.24 -4.88 118.95 114.85 1jba s ARG 90 Ca 0.00 0.25 -0.29 0.00 -1.72 0.00 0.00 55.73 53.97 1jba s ARG 90 Cb 0.00 -1.66 -0.16 0.00 -0.45 0.00 0.00 34.95 32.67 1jba s ARG 90 CO 0.00 -3.24 0.76 0.41 -0.68 0.00 0.00 175.30 172.55 1jba n GLY 91 N -0.94 -1.04 3.40 -3.53 0.00 -1.26 -4.82 105.19 96.99 1jba n GLY 91 Ca 0.08 0.39 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 1jba n GLY 91 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jba s THR 92 N -0.85 3.77 0.00 2.61 2.01 -1.26 -4.85 115.64 117.07 1jba s THR 92 Ca 0.66 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 62.29 1jba s THR 92 Cb -0.89 -2.71 0.00 0.00 0.01 0.00 0.00 72.50 68.91 1jba s THR 92 CO 0.57 0.42 0.00 0.18 -0.69 0.00 0.00 174.62 175.10 1jba n LEU 93 N 4.49 0.00 0.28 4.42 4.32 -1.26 -4.89 117.00 124.36 1jba n LEU 93 Ca -0.17 0.00 0.19 0.00 -0.02 0.00 0.00 56.01 56.01 1jba n LEU 93 Cb 0.51 0.00 0.94 0.00 -1.62 0.00 0.00 43.42 43.25 1jba n LEU 93 CO 0.30 -0.37 1.06 1.05 -1.22 0.00 0.00 177.39 178.22 1jba h GLU 94 N 0.00 0.00 -0.11 3.23 4.11 -2.02 -2.83 114.58 116.96 1jba h GLU 94 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.46 1jba h GLU 94 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jba h GLU 94 CO 0.00 0.00 0.84 1.25 0.07 0.00 0.00 179.01 181.17 1jba h HIS 95 N 0.00 0.00 -0.83 2.06 2.76 -2.00 0.64 115.15 117.78 1jba h HIS 95 Ca 0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1jba h HIS 95 Cb 0.16 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 1jba h HIS 95 CO 0.00 0.00 0.41 -0.22 -1.30 0.00 0.00 177.93 176.82 1jba h LYS 96 N 0.00 1.19 -1.07 5.26 1.63 -1.86 -2.26 116.57 119.46 1jba h LYS 96 Ca 0.05 -0.16 0.28 0.00 -0.85 0.00 0.00 60.65 59.97 1jba h LYS 96 Cb 1.72 -0.22 -0.10 0.00 -0.60 0.00 0.00 32.23 33.04 1jba h LYS 96 CO -0.00 0.90 0.69 -0.07 -3.45 0.00 0.00 179.45 177.52 1jba h LEU 97 N 1.18 0.41 0.03 5.20 3.38 0.03 0.43 115.31 125.98 1jba h LEU 97 Ca 0.29 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1jba h LEU 97 Cb 0.10 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1jba h LEU 97 CO -0.04 0.06 -0.02 0.50 0.09 0.00 0.00 178.44 179.03 1jba h LYS 98 N 0.35 -0.05 -0.18 1.13 3.64 -1.57 -2.60 116.57 117.29 1jba h LYS 98 Ca 0.61 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 60.04 1jba h LYS 98 Cb 1.63 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.41 1jba h LYS 98 CO -0.30 0.32 -0.14 2.35 -2.27 0.00 0.00 179.45 179.41 1jba h TRP 99 N -0.99 -0.35 -0.36 1.91 7.01 -1.12 -1.56 115.95 120.48 1jba h TRP 99 Ca -0.00 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.07 1jba h TRP 99 Cb 0.38 0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.58 1jba h TRP 99 CO 0.10 -0.21 0.09 0.00 -2.79 0.00 0.00 178.44 175.63 1jba h THR 100 N -0.15 0.85 -0.26 2.65 1.03 -0.31 0.41 112.91 117.13 1jba h THR 100 Ca 0.11 -0.08 0.08 0.00 -0.01 0.00 0.00 66.41 66.51 1jba h THR 100 Cb 0.31 0.60 -0.01 0.00 -1.07 0.00 0.00 68.15 67.98 1jba h THR 100 CO -0.27 0.04 0.41 0.15 -0.01 0.00 0.00 175.52 175.84 1jba h PHE 101 N 0.22 0.00 0.16 0.00 3.04 -0.94 0.25 116.94 119.68 1jba h PHE 101 Ca 0.17 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.88 1jba h PHE 101 Cb 0.18 0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.71 1jba h PHE 101 CO -0.17 0.00 -1.11 -0.22 -2.02 0.00 0.00 178.31 174.79 1jba h LYS 102 N 0.00 0.35 -1.05 1.11 3.64 0.69 -3.15 116.57 118.15 1jba h LYS 102 Ca 0.12 -0.59 0.30 0.00 -1.27 0.00 0.00 60.65 59.22 1jba h LYS 102 Cb 0.94 0.22 -0.13 0.00 -0.41 0.00 0.00 32.23 32.86 1jba h LYS 102 CO -0.00 1.28 0.64 0.82 -2.27 0.00 0.00 179.45 179.92 1jba h ILE 103 N -0.23 0.39 -0.12 2.00 1.08 0.95 0.88 117.51 122.45 1jba h ILE 103 Ca -0.21 -0.13 -0.18 0.00 -0.39 0.00 0.00 64.86 63.95 1jba h ILE 103 Cb 1.80 -0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 35.53 1jba h ILE 103 CO 0.16 0.07 -0.68 1.88 -0.69 0.00 0.00 178.15 178.89 1jba h TYR 104 N 0.38 0.67 -0.12 1.37 -1.99 -1.57 -3.39 116.97 112.31 1jba h TYR 104 Ca 0.69 -0.27 -0.00 0.00 2.00 0.00 0.00 58.73 61.14 1jba h TYR 104 Cb 1.64 -0.11 -0.00 0.00 2.00 0.00 0.00 36.73 40.26 1jba h TYR 104 CO -0.01 1.03 0.06 -3.47 -0.00 0.00 0.00 178.16 175.77 1jba n ASP 105 N -3.89 1.24 0.10 3.88 2.03 0.30 -4.55 116.55 115.65 1jba n ASP 105 Ca -0.04 -2.28 0.11 0.00 0.52 0.00 0.00 54.79 53.09 1jba n ASP 105 Cb 0.68 -1.67 -0.01 0.00 -0.72 0.00 0.00 41.12 39.39 1jba n ASP 105 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1jba n LYS 106 N 8.08 0.61 0.00 -0.67 0.00 -1.26 -3.91 118.16 121.00 1jba n LYS 106 Ca 0.40 0.12 0.12 0.00 0.00 0.00 0.00 58.31 58.95 1jba n LYS 106 Cb 0.46 -1.82 0.12 0.00 0.00 0.00 0.00 35.03 33.80 1jba n LYS 106 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1jba n ASP 107 N -2.68 1.73 -3.03 3.14 5.68 -1.26 -5.03 116.55 115.10 1jba n ASP 107 Ca -0.01 -1.33 -0.08 0.00 -0.50 0.00 0.00 54.79 52.87 1jba n ASP 107 Cb 0.57 0.36 0.01 0.00 -1.14 0.00 0.00 41.12 40.92 1jba n ASP 107 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1jba n ARG 108 N -0.20 -1.97 0.00 0.11 3.00 -1.25 -4.95 116.66 111.41 1jba n ARG 108 Ca 0.10 1.77 0.00 0.00 -0.01 0.00 0.00 57.85 59.72 1jba n ARG 108 Cb 0.43 -3.38 0.00 0.00 0.00 0.00 0.00 32.46 29.51 1jba n ARG 108 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1jba n ASN 109 N 0.60 0.00 0.00 0.55 0.23 -1.26 -5.01 115.26 110.36 1jba n ASN 109 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1jba n ASN 109 Cb 0.36 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 1jba n ASN 109 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jba n GLY 110 N 0.00 0.70 2.97 4.83 0.00 -1.26 -5.06 105.19 107.36 1jba n GLY 110 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1jba n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba s ILE 112 N 0.52 5.07 0.09 0.00 1.01 -0.91 -4.98 121.20 122.00 1jba s ILE 112 Ca -0.04 0.60 0.01 0.00 0.00 0.00 0.00 60.65 61.22 1jba s ILE 112 Cb -0.05 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1jba s ILE 112 CO -0.02 0.40 -0.06 -0.62 0.00 0.00 0.00 174.94 174.64 1jba s ASP 113 N -1.50 1.01 0.23 3.58 2.15 -1.26 -2.43 116.67 118.44 1jba s ASP 113 Ca 0.29 -0.99 0.05 0.00 0.43 0.00 0.00 52.55 52.33 1jba s ASP 113 Cb -0.15 0.11 0.26 0.00 -0.30 0.00 0.00 42.92 42.84 1jba s ASP 113 CO 0.16 -0.48 0.92 -2.11 -0.17 0.00 0.00 175.17 173.49 1jba n ARG 114 N 0.04 0.04 -0.02 4.34 1.85 -1.26 0.49 116.66 122.14 1jba n ARG 114 Ca -0.13 0.41 -0.16 0.00 -1.00 0.00 0.00 57.85 56.97 1jba n ARG 114 Cb 0.61 -2.08 -0.10 0.00 -1.05 0.00 0.00 32.46 29.84 1jba n ARG 114 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 1jba h GLN 115 N 0.00 0.38 -0.08 2.89 1.08 -2.00 -2.83 115.11 114.54 1jba h GLN 115 Ca 0.00 -0.34 -0.13 0.00 -1.45 0.00 0.00 58.65 56.73 1jba h GLN 115 Cb 0.92 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 1jba h GLN 115 CO 0.00 0.99 -0.51 0.93 -0.95 0.00 0.00 178.83 179.29 1jba h GLU 116 N -0.12 0.22 0.13 1.46 5.08 -0.25 -2.63 114.58 118.47 1jba h GLU 116 Ca -0.04 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1jba h GLU 116 Cb 1.10 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1jba h GLU 116 CO 0.09 0.68 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.65 1jba h LEU 117 N 0.18 -0.15 -1.65 1.33 -0.00 -1.50 -1.94 115.31 111.58 1jba h LEU 117 Ca 0.01 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 1jba h LEU 117 Cb 0.96 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.66 1jba h LEU 117 CO 0.08 -0.08 -0.19 0.25 -0.00 0.00 0.00 178.44 178.49 1jba h LEU 118 N -0.20 0.00 0.60 1.67 6.46 -1.47 -2.18 115.31 120.20 1jba h LEU 118 Ca -0.02 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 1jba h LEU 118 Cb 0.16 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.09 1jba h LEU 118 CO 0.03 0.19 -0.29 -0.78 -0.62 0.00 0.00 178.44 176.97 1jba h ASP 119 N 0.00 -0.69 0.95 1.25 1.82 -1.03 -1.72 116.42 117.00 1jba h ASP 119 Ca -0.00 0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.62 1jba h ASP 119 Cb 0.37 0.18 0.01 0.00 0.68 0.00 0.00 39.33 40.56 1jba h ASP 119 CO 0.03 -0.38 -0.45 0.40 -1.61 0.00 0.00 179.24 177.23 1jba h ILE 120 N -1.05 0.05 -0.72 2.25 1.08 -1.35 -2.42 117.51 115.35 1jba h ILE 120 Ca -0.08 -0.03 0.14 0.00 -0.39 0.00 0.00 64.86 64.51 1jba h ILE 120 Cb 0.62 0.05 -0.14 0.00 -3.07 0.00 0.00 36.82 34.29 1jba h ILE 120 CO 0.14 0.00 -0.18 -0.37 -0.69 0.00 0.00 178.15 177.05 1jba h VAL 121 N -1.29 0.28 -0.99 1.67 -1.51 -1.53 1.45 116.25 114.33 1jba h VAL 121 Ca -0.13 -0.00 0.24 0.00 -1.23 0.00 0.00 66.70 65.58 1jba h VAL 121 Cb 0.97 0.28 -0.08 0.00 -2.13 0.00 0.00 31.29 30.33 1jba h VAL 121 CO 0.21 0.00 0.64 -0.08 -1.23 0.00 0.00 177.57 177.12 1jba h GLU 122 N 0.00 0.41 -0.18 5.19 4.81 -1.13 0.35 114.58 124.03 1jba h GLU 122 Ca 0.35 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.49 1jba h GLU 122 Cb 0.53 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1jba h GLU 122 CO -0.74 0.27 -0.13 0.77 -0.73 0.00 0.00 179.01 178.45 1jba h SER 123 N 0.43 0.44 -0.17 1.04 0.02 0.24 -2.61 113.55 112.93 1jba h SER 123 Ca 0.55 -0.45 0.05 0.00 -0.84 0.00 0.00 61.79 61.10 1jba h SER 123 Cb 1.34 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1jba h SER 123 CO -0.25 0.79 0.13 0.40 -1.14 0.00 0.00 176.83 176.76 1jba h ILE 124 N 0.09 0.81 -0.04 3.27 5.03 0.13 -1.74 117.51 125.06 1jba h ILE 124 Ca 0.04 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.76 1jba h ILE 124 Cb 0.64 0.90 -0.00 0.00 -3.03 0.00 0.00 36.82 35.34 1jba h ILE 124 CO 0.04 0.00 -0.04 1.88 -0.68 0.00 0.00 178.15 179.35 1jba h TYR 125 N 0.00 0.11 -0.28 1.37 0.05 -0.64 -2.35 116.97 115.23 1jba h TYR 125 Ca 0.08 -0.03 0.08 0.00 0.05 0.00 0.00 58.73 58.90 1jba h TYR 125 Cb 0.35 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1jba h TYR 125 CO 0.00 0.54 0.20 0.87 -1.05 0.00 0.00 178.16 178.72 1jba h LYS 126 N -0.35 0.03 0.05 4.88 6.56 -0.98 -0.38 116.57 126.38 1jba h LYS 126 Ca 0.01 -0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1jba h LYS 126 Cb 0.52 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 1jba h LYS 126 CO 0.01 0.02 -0.02 1.25 -2.06 0.00 0.00 179.45 178.64 1jba h LEU 127 N 0.03 -0.06 -0.41 2.94 7.12 -1.23 -2.40 115.31 121.30 1jba h LEU 127 Ca 0.13 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.14 1jba h LEU 127 Cb 0.49 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 1jba h LEU 127 CO -0.01 -0.02 0.21 1.17 -0.13 0.00 0.00 178.44 179.67 1jba n LYS 128 N -2.31 0.04 0.03 1.25 4.81 -0.90 -0.61 118.16 120.48 1jba n LYS 128 Ca -0.01 0.44 -0.21 0.00 -0.87 0.00 0.00 58.31 57.66 1jba n LYS 128 Cb 0.03 -1.85 -0.14 0.00 0.02 0.00 0.00 35.03 33.09 1jba n LYS 128 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1jba h LYS 129 N 0.00 0.28 -0.51 1.64 3.64 -0.94 -3.29 116.57 117.39 1jba h LYS 129 Ca 0.00 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1jba h LYS 129 Cb 0.42 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1jba h LYS 129 CO 0.00 1.23 0.00 0.00 -2.27 0.00 0.00 179.45 178.41 1jba n ALA 130 N -2.80 2.69 -1.15 5.00 0.00 0.22 -4.73 120.51 119.75 1jba n ALA 130 Ca -0.18 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1jba n ALA 130 Cb 0.85 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 0.00 3.54 -3.45 0.00 7.64 -1.26 -4.87 113.62 115.21 1jba n SER 132 Ca 0.00 -2.83 -0.11 0.00 1.01 0.00 0.00 58.87 56.94 1jba n SER 132 Cb 0.00 -0.69 -0.02 0.00 -1.01 0.00 0.00 64.21 62.49 1jba n SER 132 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jba s VAL 133 N -1.71 0.00 -0.33 0.44 0.11 -1.26 -5.04 120.40 112.61 1jba s VAL 133 Ca 0.29 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.40 1jba s VAL 133 Cb 0.24 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 34.04 1jba s VAL 133 CO 0.05 0.00 0.29 -0.62 -3.33 0.00 0.00 175.10 171.50 1jba n GLU 134 N -0.30 4.57 -2.46 1.54 -0.58 -1.26 -4.59 120.64 117.56 1jba n GLU 134 Ca -0.14 -0.09 -0.06 0.00 -0.42 0.00 0.00 57.16 56.46 1jba n GLU 134 Cb 0.64 -0.81 -0.01 0.00 -0.57 0.00 0.00 31.44 30.69 1jba n GLU 134 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1jba n VAL 135 N -0.99 0.00 0.00 2.62 3.14 -1.26 -4.00 118.33 117.84 1jba n VAL 135 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1jba n VAL 135 Cb 0.10 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 1jba n VAL 135 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1jba n GLU 136 N -2.29 0.00 0.00 1.45 0.28 -1.26 -4.61 120.64 114.20 1jba n GLU 136 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1jba n GLU 136 Cb 0.41 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.28 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 0.00 0.00 -1.00 -1.84 0.00 -1.26 -3.07 120.51 113.34 1jba n ALA 137 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jba n ALA 137 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1jba n ALA 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jba n GLU 138 N -2.46 0.00 -1.49 0.00 1.02 -1.26 -3.44 120.64 113.00 1jba n GLU 138 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1jba n GLU 138 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 1jba n GLU 138 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1jba n GLN 139 N 0.00 0.26 0.00 3.49 6.02 -1.18 -3.28 117.38 122.69 1jba n GLN 139 Ca 0.00 -0.91 0.00 0.00 -0.01 0.00 0.00 57.00 56.08 1jba n GLN 139 Cb 0.00 -3.06 0.00 0.00 1.02 0.00 0.00 30.24 28.20 1jba n GLN 139 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1jba n GLN 140 N 7.59 0.00 0.00 -1.09 0.00 -1.26 -4.76 117.38 117.86 1jba n GLN 140 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.42 1jba n GLN 140 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.65 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jba n GLY 141 N 0.00 0.42 2.34 1.69 0.00 -1.21 -5.02 105.19 103.42 1jba n GLY 141 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1jba n GLY 141 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jba n LYS 142 N 0.00 -4.44 -1.66 1.61 3.00 -1.24 -5.00 118.16 110.43 1jba n LYS 142 Ca 0.00 3.32 -0.25 0.00 -0.00 0.00 0.00 58.31 61.39 1jba n LYS 142 Cb 0.00 -4.49 0.17 0.00 0.00 0.00 0.00 35.03 30.71 1jba n LYS 142 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1jba n LEU 143 N 1.60 0.00 0.00 3.14 -0.00 -1.22 -5.00 117.00 115.52 1jba n LEU 143 Ca -0.19 -1.28 -0.04 0.00 -0.00 0.00 0.00 56.01 54.50 1jba n LEU 143 Cb 0.29 -0.85 -0.01 0.00 -0.00 0.00 0.00 43.42 42.85 1jba n LEU 143 CO 0.18 -1.29 0.04 0.00 -0.00 0.00 0.00 177.39 176.32 1jba n LEU 144 N 0.00 0.00 -4.89 1.47 -0.00 -1.26 -5.03 117.00 107.29 1jba n LEU 144 Ca 0.14 -0.83 -0.31 0.00 -0.00 0.00 0.00 56.01 55.02 1jba n LEU 144 Cb 0.49 0.71 -0.05 0.00 -0.00 0.00 0.00 43.42 44.57 1jba n LEU 144 CO 0.36 -0.18 0.19 0.42 -0.00 0.00 0.00 177.39 178.17 1jba s THR 145 N -2.53 4.99 0.62 1.47 -4.23 -1.26 -4.95 115.64 109.76 1jba s THR 145 Ca 0.09 0.29 0.31 0.00 -1.18 0.00 0.00 61.69 61.19 1jba s THR 145 Cb -0.00 -3.65 0.35 0.00 1.34 0.00 0.00 72.50 70.54 1jba s THR 145 CO 0.06 -0.14 2.02 -0.65 -0.54 0.00 0.00 174.62 175.37 1jba h PRO 146 N 2.30 0.00 0.00 3.99 0.10 -2.03 0.21 132.00 136.57 1jba h PRO 146 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.63 1jba h PRO 146 Cb 1.17 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.27 1jba h PRO 146 CO 0.69 0.00 -1.08 -0.85 0.10 0.00 0.00 178.00 176.86 1jba n GLU 147 N -3.40 0.59 0.47 1.05 -0.00 -1.26 -4.27 120.64 113.82 1jba n GLU 147 Ca 0.01 0.09 -0.19 0.00 -0.00 0.00 0.00 57.16 57.07 1jba n GLU 147 Cb 0.40 -1.79 -0.09 0.00 -0.00 0.00 0.00 31.44 29.95 1jba n GLU 147 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1jba h GLU 148 N 0.00 -1.18 -0.89 3.44 4.81 -0.96 -1.87 114.58 117.93 1jba h GLU 148 Ca 0.00 0.08 0.24 0.00 -0.13 0.00 0.00 59.36 59.55 1jba h GLU 148 Cb 0.98 0.27 -0.14 0.00 0.63 0.00 0.00 28.75 30.49 1jba h GLU 148 CO 0.00 -0.79 0.30 -0.39 -0.73 0.00 0.00 179.01 177.40 1jba h VAL 149 N -1.22 0.35 -0.08 0.32 -1.51 -1.75 0.15 116.25 112.50 1jba h VAL 149 Ca -0.12 -0.09 0.01 0.00 -1.23 0.00 0.00 66.70 65.28 1jba h VAL 149 Cb 0.95 0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 1jba h VAL 149 CO 0.17 0.05 -0.01 0.58 -1.23 0.00 0.00 177.57 177.13 1jba h VAL 150 N 0.26 0.94 0.00 7.19 2.07 -1.67 -0.37 116.25 124.66 1jba h VAL 150 Ca 0.57 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 68.08 1jba h VAL 150 Cb 1.15 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1jba h VAL 150 CO -0.62 0.00 0.00 -0.78 0.02 0.00 0.00 177.57 176.19 1jba h ASP 151 N 0.02 0.00 0.17 0.57 3.58 0.04 -1.29 116.42 119.50 1jba h ASP 151 Ca 0.04 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.22 1jba h ASP 151 Cb 0.05 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.12 1jba h ASP 151 CO -0.07 0.00 -1.24 -0.09 -2.88 0.00 0.00 179.24 174.96 1jba h ARG 152 N 0.00 0.35 0.00 0.28 9.65 0.45 -2.74 114.38 122.37 1jba h ARG 152 Ca 0.00 -0.60 -0.09 0.00 -1.10 0.00 0.00 59.98 58.18 1jba h ARG 152 Cb 0.26 0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 1jba h ARG 152 CO 0.00 1.29 -0.44 0.82 2.80 0.00 0.00 179.97 184.44 1jba h ILE 153 N -0.18 0.95 0.04 1.20 2.04 -0.77 -2.73 117.51 118.07 1jba h ILE 153 Ca -0.24 -1.77 -0.00 0.00 1.00 0.00 0.00 64.86 63.85 1jba h ILE 153 Cb 1.85 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 40.01 1jba h ILE 153 CO 0.16 0.43 -0.02 0.15 0.00 0.00 0.00 178.15 178.87 1jba h PHE 154 N 0.00 -0.05 0.19 1.37 3.04 -1.34 -2.61 116.94 117.54 1jba h PHE 154 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1jba h PHE 154 Cb 1.04 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.55 1jba h PHE 154 CO 0.00 0.59 -0.17 1.25 -2.02 0.00 0.00 178.31 177.96 1jba h LEU 155 N -0.89 -0.46 0.19 0.59 7.12 -1.55 0.18 115.31 120.49 1jba h LEU 155 Ca -0.01 0.04 0.01 0.00 0.13 0.00 0.00 57.88 58.05 1jba h LEU 155 Cb 0.67 0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.93 1jba h LEU 155 CO 0.01 -0.26 -0.26 -0.07 -0.13 0.00 0.00 178.44 177.72 1jba h LEU 156 N -0.39 -0.72 -1.55 2.25 4.07 -1.63 -2.05 115.31 115.29 1jba h LEU 156 Ca -0.00 0.07 0.03 0.00 0.08 0.00 0.00 57.88 58.06 1jba h LEU 156 Cb 0.36 0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.33 1jba h LEU 156 CO -0.03 -0.37 0.34 0.58 -1.08 0.00 0.00 178.44 177.89 1jba h VAL 157 N -0.52 1.06 -4.91 1.22 2.07 -1.36 -3.43 116.25 110.38 1jba h VAL 157 Ca 0.01 -0.20 -0.28 0.00 0.82 0.00 0.00 66.70 67.05 1jba h VAL 157 Cb 0.51 0.42 0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1jba h VAL 157 CO -0.10 0.11 0.03 -0.67 0.02 0.00 0.00 177.57 176.96 1jba n ASP 158 N -4.47 0.94 0.00 0.57 -0.08 0.61 -4.69 116.55 109.44 1jba n ASP 158 Ca 0.06 -1.75 0.00 0.00 -1.51 0.00 0.00 54.79 51.59 1jba n ASP 158 Cb 0.14 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.27 1jba n ASP 158 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1jba n GLU 159 N -1.97 0.00 0.16 -0.67 4.07 -1.26 -4.84 120.64 116.13 1jba n GLU 159 Ca 0.10 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.32 1jba n GLU 159 Cb 0.35 0.00 0.27 0.00 -0.06 0.00 0.00 31.44 32.00 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 -0.49 4.31 7.08 -1.95 -3.46 115.58 121.07 1jba h ASN 160 Ca 0.00 -0.01 -0.21 0.00 -3.08 0.00 0.00 56.30 53.00 1jba h ASN 160 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 38.32 36.16 1jba h ASN 160 CO 0.00 0.00 -0.19 0.61 -2.08 0.00 0.00 177.43 175.77 1jba n GLY 161 N 1.21 1.13 0.43 9.14 0.00 -1.26 -4.83 105.19 111.00 1jba n GLY 161 Ca 0.05 -0.30 0.24 0.00 0.00 0.00 0.00 46.02 46.01 1jba n GLY 161 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1jba h ASP 162 N 0.00 0.00 0.00 1.61 2.03 -2.02 -3.44 116.42 114.60 1jba h ASP 162 Ca -0.21 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 1jba h ASP 162 Cb 0.83 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.33 1jba h ASP 162 CO 0.31 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.13 1jba n GLY 163 N -1.57 0.79 2.88 7.15 0.00 -1.26 -5.06 105.19 108.12 1jba n GLY 163 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1jba n GLY 163 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jba s GLN 164 N -0.82 0.05 -0.74 1.61 -0.21 -1.26 -5.01 119.66 113.28 1jba s GLN 164 Ca 0.00 0.27 -0.15 0.00 0.02 0.00 0.00 55.36 55.49 1jba s GLN 164 Cb 0.00 -0.16 0.18 0.00 1.00 0.00 0.00 33.01 34.03 1jba s GLN 164 CO 0.00 -0.14 0.72 -1.17 -2.12 0.00 0.00 175.29 172.58 1jba s LEU 165 N 0.94 6.39 0.94 2.90 2.96 -1.02 -5.02 118.68 126.78 1jba s LEU 165 Ca -0.07 -2.32 -0.14 0.00 -0.22 0.00 0.00 54.13 51.37 1jba s LEU 165 Cb -0.10 -2.23 0.16 0.00 0.50 0.00 0.00 46.19 44.52 1jba s LEU 165 CO -0.04 -0.72 1.20 -0.44 -1.32 0.00 0.00 176.35 175.03 1jba s SER 166 N 2.75 3.30 0.03 3.68 0.01 -1.26 -2.15 113.70 120.06 1jba s SER 166 Ca 0.15 0.68 -0.22 0.00 1.31 0.00 0.00 55.95 57.87 1jba s SER 166 Cb -0.16 -1.04 -0.12 0.00 0.21 0.00 0.00 66.02 64.91 1jba s SER 166 CO -0.05 -2.65 1.21 0.25 0.41 0.00 0.00 173.24 172.41 1jba h LEU 167 N -1.58 -0.67 -0.86 2.44 5.85 -1.97 -1.25 115.31 117.28 1jba h LEU 167 Ca -0.47 0.02 0.22 0.00 0.84 0.00 0.00 57.88 58.50 1jba h LEU 167 Cb 1.30 0.17 -0.14 0.00 0.37 0.00 0.00 40.66 42.36 1jba h LEU 167 CO 0.53 -0.44 0.17 0.78 -0.34 0.00 0.00 178.44 179.13 1jba h ASN 168 N -0.87 -0.11 0.04 1.25 4.21 -1.98 1.31 115.58 119.43 1jba h ASN 168 Ca -0.08 0.20 0.02 0.00 1.21 0.00 0.00 56.30 57.65 1jba h ASN 168 Cb 0.61 0.30 -0.02 0.00 -1.12 0.00 0.00 38.32 38.08 1jba h ASN 168 CO 0.13 -0.18 -0.13 -0.33 -1.29 0.00 0.00 177.43 175.63 1jba h GLU 169 N 0.17 -0.23 0.05 0.81 5.08 -1.90 -1.77 114.58 116.78 1jba h GLU 169 Ca 0.52 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.90 1jba h GLU 169 Cb 1.04 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1jba h GLU 169 CO -0.68 -0.16 -0.02 0.35 -1.00 0.00 0.00 179.01 177.50 1jba h PHE 170 N -0.24 -0.06 -0.82 4.33 3.04 0.50 -1.53 116.94 122.16 1jba h PHE 170 Ca 0.03 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.08 1jba h PHE 170 Cb 0.28 0.02 -0.12 0.00 2.56 0.00 0.00 35.95 38.69 1jba h PHE 170 CO -0.17 0.36 -0.52 0.28 -2.02 0.00 0.00 178.31 176.24 1jba h VAL 171 N -0.51 0.02 -0.19 1.41 2.07 0.16 2.37 116.25 121.58 1jba h VAL 171 Ca -0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1jba h VAL 171 Cb 0.46 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1jba h VAL 171 CO 0.01 0.00 -0.18 -0.08 0.02 0.00 0.00 177.57 177.34 1jba h GLU 172 N -0.11 0.31 0.00 1.57 4.81 -1.38 0.17 114.58 119.96 1jba h GLU 172 Ca 0.18 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1jba h GLU 172 Cb 0.50 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1jba h GLU 172 CO -0.84 0.49 0.00 0.41 -0.73 0.00 0.00 179.01 178.34 1jba n GLY 173 N -0.68 -1.47 0.36 1.92 0.00 0.22 -2.83 105.19 102.71 1jba n GLY 173 Ca -0.00 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.59 2.70 0.19 4.61 0.00 0.74 -3.93 120.51 123.23 1jba n ALA 174 Ca 0.06 -0.52 0.08 0.00 0.00 0.00 0.00 53.44 53.06 1jba n ALA 174 Cb 0.33 -0.40 0.25 0.00 0.00 0.00 0.00 19.45 19.63 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 1.76 0.00 0.00 0.00 2.43 -0.56 -3.45 114.38 114.56 1jba h ARG 175 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jba h ARG 175 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1jba h ARG 175 CO 0.00 0.26 0.00 -2.13 -1.51 0.00 0.00 179.97 176.59 1jba n ARG 176 N -3.24 0.00 0.00 0.20 0.63 -1.26 -5.09 116.66 107.90 1jba n ARG 176 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1jba n ARG 176 Cb 0.56 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.47 1jba n ARG 176 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1jba n ASP 177 N -3.43 0.00 0.00 6.15 2.03 -1.25 -4.42 116.55 115.63 1jba n ASP 177 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1jba n ASP 177 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1jba n ASP 177 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1jba n LYS 178 N 6.77 2.01 0.00 -0.67 5.02 -1.26 -4.91 118.16 125.12 1jba n LYS 178 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1jba n LYS 178 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 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 -0.21 0.00 -0.36 2.13 -0.00 -1.26 -4.95 117.44 112.78 1jba n TRP 179 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.49 1jba n TRP 179 Cb 0.00 0.01 0.13 0.00 -0.00 0.00 0.00 31.31 31.45 1jba n TRP 179 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1jba h VAL 180 N 0.16 1.23 0.04 5.87 2.07 -1.89 -2.69 116.25 121.03 1jba h VAL 180 Ca 0.00 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1jba h VAL 180 Cb 0.08 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.66 1jba h VAL 180 CO 0.00 0.24 -0.02 -0.03 0.02 0.00 0.00 177.57 177.78 1jba h MET 181 N 1.31 -0.05 -0.97 1.57 1.85 -1.87 -1.27 114.93 115.50 1jba h MET 181 Ca 0.37 0.00 0.15 0.00 -0.61 0.00 0.00 59.70 59.61 1jba h MET 181 Cb -0.11 0.01 -0.16 0.00 0.43 0.00 0.00 31.60 31.77 1jba h MET 181 CO -0.09 -0.04 -0.38 1.63 -0.40 0.00 0.00 176.91 177.64 1jba n LYS 182 N -2.17 -0.23 0.00 0.39 5.02 -1.21 0.41 118.16 120.37 1jba n LYS 182 Ca -0.01 1.49 0.00 0.00 -2.02 0.00 0.00 58.31 57.77 1jba n LYS 182 Cb 0.02 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 32.82 1jba n LYS 182 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1jba n MET 183 N -5.42 0.00 -0.57 1.97 1.56 -1.02 -2.28 117.12 111.35 1jba n MET 183 Ca 0.10 0.00 0.45 0.00 -0.27 0.00 0.00 57.70 57.98 1jba n MET 183 Cb 0.39 -0.92 0.73 0.00 2.15 0.00 0.00 33.22 35.56 1jba n MET 183 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 1jba n LEU 184 N -0.44 0.11 -0.11 -0.89 7.94 -0.48 0.82 117.00 123.94 1jba n LEU 184 Ca 0.00 1.17 -0.09 0.00 -1.11 0.00 0.00 56.01 55.98 1jba n LEU 184 Cb 0.00 -0.58 -0.02 0.00 0.53 0.00 0.00 43.42 43.35 1jba n LEU 184 CO 0.00 -1.23 0.92 -0.61 -1.11 0.00 0.00 177.39 175.36 1jba h GLN 185 N 0.00 0.50 0.00 1.96 4.15 0.02 -3.45 115.11 118.29 1jba h GLN 185 Ca 0.89 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 60.23 1jba h GLN 185 Cb 3.21 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 30.81 1jba h GLN 185 CO -0.25 0.48 0.00 -0.12 -1.93 0.00 0.00 178.83 177.01 1jba n MET 186 N -4.72 0.00 0.42 1.69 0.00 0.24 -4.11 117.12 110.65 1jba n MET 186 Ca -0.01 0.00 -0.19 0.00 -0.00 0.00 0.00 57.70 57.50 1jba n MET 186 Cb 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.25 1jba n MET 186 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 1jba h ASP 187 N 0.00 -0.97 0.00 6.12 3.58 -1.88 -3.46 116.42 119.82 1jba h ASP 187 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1jba h ASP 187 Cb 0.00 0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1jba h ASP 187 CO 0.00 -0.66 0.00 -0.11 -2.88 0.00 0.00 179.24 175.59 1jba n LEU 188 N -5.56 0.00 0.00 2.28 0.00 -1.26 -3.91 117.00 108.55 1jba n LEU 188 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.86 1jba n LEU 188 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.86 1jba n LEU 188 CO 0.38 0.00 0.00 -3.20 0.00 0.00 0.00 177.39 174.57 1jba n ASN 189 N 2.85 0.00 0.00 1.96 4.05 -1.26 -5.18 115.26 117.67 1jba n ASN 189 Ca 0.00 0.00 0.03 0.00 0.45 0.00 0.00 54.58 55.06 1jba n ASN 189 Cb 0.00 0.00 0.17 0.00 1.23 0.00 0.00 39.78 41.18 1jba n ASN 189 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40