#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 -0.78 1.61 0.00 -1.26 -5.16 117.38 111.79 1jba n GLN 3 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 57.11 1jba n GLN 3 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.21 1jba n GLN 3 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1jba n GLN 4 N 0.00 -1.57 0.00 3.69 3.00 -1.26 -4.83 117.38 116.40 1jba n GLN 4 Ca 0.00 1.04 0.00 0.00 -0.01 0.00 0.00 57.00 58.03 1jba n GLN 4 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 30.24 28.32 1jba n GLN 4 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1jba n PHE 5 N -2.67 -0.14 -3.87 1.08 3.72 -1.26 -4.73 117.46 109.60 1jba n PHE 5 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1jba n PHE 5 Cb 0.36 0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 1jba n PHE 5 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1jba n SER 6 N -3.75 -2.74 0.12 4.37 2.88 -1.26 -2.48 113.62 110.76 1jba n SER 6 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1jba n SER 6 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1jba n SER 6 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 1jba h TRP 7 N 0.00 0.00 -0.01 0.66 6.55 -2.01 -3.23 115.95 117.91 1jba h TRP 7 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1jba h TRP 7 Cb 0.00 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.30 1jba h TRP 7 CO 0.00 0.43 0.06 0.93 -1.05 0.00 0.00 178.44 178.81 1jba h GLU 8 N 0.00 0.00 0.68 0.49 4.39 -1.89 -2.53 114.58 115.72 1jba h GLU 8 Ca -0.04 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1jba h GLU 8 Cb 1.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1jba h GLU 8 CO 0.05 0.00 -0.36 1.49 -1.16 0.00 0.00 179.01 179.03 1jba h GLU 9 N 0.00 -0.92 -0.17 2.33 4.81 -1.50 0.77 114.58 119.89 1jba h GLU 9 Ca 0.00 0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1jba h GLU 9 Cb 0.13 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1jba h GLU 9 CO -0.00 -0.61 0.03 0.00 -0.73 0.00 0.00 179.01 177.70 1jba h ALA 10 N -0.66 0.23 -0.91 2.92 0.00 -1.70 -1.34 119.26 117.80 1jba h ALA 10 Ca -0.09 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 54.82 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 0.13 -0.11 0.59 0.93 0.00 0.00 0.00 179.25 180.78 1jba h GLU 11 N 0.08 0.65 0.00 0.00 4.39 -1.45 -3.21 114.58 115.04 1jba h GLU 11 Ca 0.05 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1jba h GLU 11 Cb 0.29 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1jba h GLU 11 CO 0.00 0.43 0.00 -1.91 -1.16 0.00 0.00 179.01 176.37 1jba n GLU 12 N -4.58 0.00 0.00 2.33 2.13 0.26 -4.85 120.64 115.93 1jba n GLU 12 Ca 0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1jba n GLU 12 Cb 0.51 -0.45 0.00 0.00 0.27 0.00 0.00 31.44 31.78 1jba n GLU 12 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1jba n ASN 13 N -0.40 0.00 0.00 4.31 4.13 -0.53 -4.99 115.26 117.78 1jba n ASN 13 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1jba n ASN 13 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1jba n ASN 13 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jba n GLY 14 N 0.00 3.57 2.24 7.41 0.00 -1.21 -4.95 105.19 112.25 1jba n GLY 14 Ca 0.00 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 1jba n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 15 N 0.00 5.88 -1.71 4.61 0.00 -1.26 -4.97 120.51 123.05 1jba n ALA 15 Ca 0.00 -2.60 -0.64 0.00 0.00 0.00 0.00 53.44 50.21 1jba n ALA 15 Cb 0.00 -1.75 -0.09 0.00 0.00 0.00 0.00 19.45 17.61 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 0.28 0.12 -1.49 0.00 0.31 -1.26 -4.93 118.33 111.37 1jba n VAL 16 Ca 0.43 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.74 1jba n VAL 16 Cb 0.56 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 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 4.24 0.09 7.00 2.92 0.00 -1.26 -4.87 105.19 113.31 1jba n GLY 17 Ca 0.30 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -3.00 0.00 -2.49 4.61 0.00 -1.26 -3.86 120.51 114.51 1jba n ALA 18 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1jba n ALA 18 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 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 11.06 3.00 -0.99 0.00 0.00 -1.26 -5.00 120.51 127.31 1jba n ALA 19 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1jba n ALA 19 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1jba n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jba n ASP 20 N -0.60 0.00 -0.33 0.00 2.03 -1.25 -1.39 116.55 115.01 1jba n ASP 20 Ca -0.12 0.50 0.22 0.00 0.52 0.00 0.00 54.79 55.92 1jba n ASP 20 Cb 0.86 -0.00 0.42 0.00 -0.72 0.00 0.00 41.12 41.67 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jba n ALA 21 N -0.88 0.73 -0.32 -1.67 0.00 -1.26 0.25 120.51 117.36 1jba n ALA 21 Ca 0.00 1.04 0.25 0.00 0.00 0.00 0.00 53.44 54.73 1jba n ALA 21 Cb 0.00 -0.88 0.55 0.00 0.00 0.00 0.00 19.45 19.12 1jba n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba h ALA 22 N 1.98 2.39 0.11 0.00 0.00 -1.62 0.38 119.26 122.50 1jba h ALA 22 Ca 0.71 0.05 -0.29 0.00 0.00 0.00 0.00 54.91 55.38 1jba h ALA 22 Cb 1.68 0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.54 1jba h ALA 22 CO -0.86 -0.79 -1.19 0.37 0.00 0.00 0.00 179.25 176.78 1jba h GLN 23 N 0.31 0.61 -0.81 0.00 4.15 0.42 -2.75 115.11 117.04 1jba h GLN 23 Ca 0.59 -0.81 -0.04 0.00 0.77 0.00 0.00 58.65 59.16 1jba h GLN 23 Cb 1.65 0.26 -0.04 0.00 0.21 0.00 0.00 27.48 29.57 1jba h GLN 23 CO -0.25 1.36 0.34 -0.07 -1.93 0.00 0.00 178.83 178.28 1jba h LEU 24 N 0.23 1.11 -0.01 -2.39 -0.00 -0.06 -2.47 115.31 111.72 1jba h LEU 24 Ca -0.18 -0.17 -0.00 0.00 -0.00 0.00 0.00 57.88 57.53 1jba h LEU 24 Cb 1.87 -0.29 -0.00 0.00 -0.00 0.00 0.00 40.66 42.24 1jba h LEU 24 CO 0.23 0.97 0.00 -0.61 -0.00 0.00 0.00 178.44 179.03 1jba h GLN 25 N 1.18 0.01 -0.88 1.13 4.15 -0.51 -2.17 115.11 118.02 1jba h GLN 25 Ca 0.27 -0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.89 1jba h GLN 25 Cb 0.20 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.82 1jba h GLN 25 CO -0.03 0.25 0.58 0.93 -1.93 0.00 0.00 178.83 178.64 1jba h GLU 26 N -0.23 0.38 0.00 1.69 4.39 -1.32 0.28 114.58 119.77 1jba h GLU 26 Ca 0.00 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 1jba h GLU 26 Cb 0.25 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1jba h GLU 26 CO 0.00 0.25 -0.66 -1.49 -1.16 0.00 0.00 179.01 175.95 1jba h TRP 27 N 0.40 0.00 0.00 4.33 4.06 -1.11 -2.73 115.95 120.90 1jba h TRP 27 Ca 0.45 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.33 1jba h TRP 27 Cb 1.14 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.29 1jba h TRP 27 CO -0.00 0.66 -0.35 -0.92 -3.56 0.00 0.00 178.44 174.27 1jba h TYR 28 N 0.00 0.00 0.18 0.49 5.03 0.18 -0.24 116.97 122.60 1jba h TYR 28 Ca -0.01 0.00 -0.25 0.00 2.58 0.00 0.00 58.73 61.05 1jba h TYR 28 Cb 1.21 0.00 0.02 0.00 1.55 0.00 0.00 36.73 39.51 1jba h TYR 28 CO 0.00 0.35 -1.15 -0.22 -1.32 0.00 0.00 178.16 175.81 1jba h LYS 29 N 0.00 0.37 0.00 1.82 3.64 -1.25 -2.71 116.57 118.44 1jba h LYS 29 Ca -0.00 -0.63 -0.07 0.00 -1.27 0.00 0.00 60.65 58.68 1jba h LYS 29 Cb 0.82 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1jba h LYS 29 CO 0.05 1.30 -0.32 0.87 -2.27 0.00 0.00 179.45 179.08 1jba h LYS 30 N -0.18 0.00 0.17 1.90 1.57 -1.44 -2.62 116.57 115.97 1jba h LYS 30 Ca -0.21 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.34 1jba h LYS 30 Cb 1.84 0.00 0.03 0.00 0.08 0.00 0.00 32.23 34.18 1jba h LYS 30 CO 0.18 0.32 -1.00 0.35 -0.57 0.00 0.00 179.45 178.73 1jba h PHE 31 N 0.00 0.68 0.00 -1.35 3.57 -1.13 -3.10 116.94 115.60 1jba h PHE 31 Ca -0.00 -0.49 0.00 0.00 3.53 0.00 0.00 57.97 61.01 1jba h PHE 31 Cb 1.04 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.75 1jba h PHE 31 CO 0.00 1.38 0.00 -0.07 -2.23 0.00 0.00 178.31 177.39 1jba h LEU 32 N -0.22 0.00 0.22 0.59 -0.00 -1.53 0.16 115.31 114.53 1jba h LEU 32 Ca -0.17 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.39 1jba h LEU 32 Cb 1.79 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 42.48 1jba h LEU 32 CO 0.19 0.00 -1.42 -0.08 -0.00 0.00 0.00 178.44 177.13 1jba h GLU 33 N 0.00 0.48 -0.35 1.13 4.22 -1.52 -2.95 114.58 115.59 1jba h GLU 33 Ca 0.00 -0.81 0.00 0.00 0.08 0.00 0.00 59.36 58.63 1jba h GLU 33 Cb 0.60 0.30 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1jba h GLU 33 CO 0.00 1.39 0.00 -1.91 -2.18 0.00 0.00 179.01 176.31 1jba n GLU 34 N -3.67 2.42 -2.75 1.92 4.07 -1.17 -4.67 120.64 116.79 1jba n GLU 34 Ca -0.15 -2.15 -0.03 0.00 -0.06 0.00 0.00 57.16 54.78 1jba n GLU 34 Cb 1.08 -1.50 0.02 0.00 -0.06 0.00 0.00 31.44 30.98 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jba n PRO 36 N 2.92 -2.42 -0.32 0.00 -0.02 -1.12 -3.85 135.00 130.20 1jba n PRO 36 Ca 0.15 -0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 1jba n PRO 36 Cb 0.60 -0.54 0.00 0.00 -0.02 0.00 0.00 33.50 33.54 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 -3.74 0.00 -3.77 2.55 2.88 -1.26 -3.69 113.62 106.59 1jba n SER 37 Ca 0.04 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.33 1jba n SER 37 Cb 0.18 -0.59 0.04 0.00 -0.75 0.00 0.00 64.21 63.08 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 -2.00 -0.40 3.30 0.46 0.00 -1.25 -4.97 105.19 100.33 1jba n GLY 38 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.47 0.09 0.10 2.61 -4.23 -1.24 -4.59 115.64 104.91 1jba s THR 39 Ca 0.33 -0.89 0.05 0.00 -1.18 0.00 0.00 61.69 60.00 1jba s THR 39 Cb -0.16 -1.33 -0.04 0.00 1.34 0.00 0.00 72.50 72.31 1jba s THR 39 CO 0.81 -0.42 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.59 1jba s LEU 40 N -2.85 2.38 0.19 4.79 1.43 0.25 -4.84 118.68 120.03 1jba s LEU 40 Ca 0.06 -0.77 0.07 0.00 -1.03 0.00 0.00 54.13 52.45 1jba s LEU 40 Cb 0.03 -0.45 -0.05 0.00 0.03 0.00 0.00 46.19 45.75 1jba s LEU 40 CO -0.10 -0.18 -0.13 -0.36 0.23 0.00 0.00 176.35 175.81 1jba s PHE 41 N -2.08 1.60 0.29 0.29 0.08 -1.26 -1.50 117.98 115.39 1jba s PHE 41 Ca 0.05 -0.62 0.02 0.00 0.12 0.00 0.00 56.93 56.51 1jba s PHE 41 Cb -0.05 -0.76 0.72 0.00 -0.57 0.00 0.00 43.02 42.36 1jba s PHE 41 CO 0.02 0.29 1.62 0.00 -0.10 0.00 0.00 175.22 177.05 1jba h MET 42 N 2.64 0.13 0.25 0.44 -0.00 -1.99 1.20 114.93 117.61 1jba h MET 42 Ca -0.38 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.30 1jba h MET 42 Cb 1.21 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.79 1jba h MET 42 CO 0.62 0.09 -0.12 0.45 -0.00 0.00 0.00 176.91 177.95 1jba h HIS 43 N 0.14 -0.31 0.00 -0.10 3.86 -2.01 -2.81 115.15 113.92 1jba h HIS 43 Ca 0.56 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.76 1jba h HIS 43 Cb 1.15 0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1jba h HIS 43 CO -0.33 0.04 0.00 -1.91 0.86 0.00 0.00 177.93 176.60 1jba n GLU 44 N -5.02 0.14 -0.05 2.45 2.13 -0.62 -2.32 120.64 117.35 1jba n GLU 44 Ca -0.08 0.58 -0.11 0.00 0.66 0.00 0.00 57.16 58.21 1jba n GLU 44 Cb 0.25 -1.90 -0.10 0.00 0.27 0.00 0.00 31.44 29.96 1jba n GLU 44 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1jba h PHE 45 N 0.00 -0.02 -0.11 4.31 3.57 0.15 -2.72 116.94 122.12 1jba h PHE 45 Ca 0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1jba h PHE 45 Cb 0.07 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1jba h PHE 45 CO 0.00 0.71 -0.06 -0.22 -2.23 0.00 0.00 178.31 176.50 1jba h LYS 46 N -0.95 -0.06 0.21 1.11 3.64 -1.20 -0.74 116.57 118.59 1jba h LYS 46 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1jba h LYS 46 Cb 0.74 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1jba h LYS 46 CO 0.00 -0.04 -0.19 -0.09 -2.27 0.00 0.00 179.45 176.87 1jba h ARG 47 N -0.06 -0.38 -0.16 1.90 2.43 -1.61 -2.68 114.38 113.82 1jba h ARG 47 Ca 0.07 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1jba h ARG 47 Cb 0.16 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 1jba h ARG 47 CO -0.15 -0.25 -0.44 0.35 -1.51 0.00 0.00 179.97 177.96 1jba h PHE 48 N -0.39 -1.29 -0.85 2.20 3.57 -1.46 2.91 116.94 121.64 1jba h PHE 48 Ca -0.03 0.05 0.29 0.00 3.53 0.00 0.00 57.97 61.82 1jba h PHE 48 Cb 0.33 0.58 -0.16 0.00 2.79 0.00 0.00 35.95 39.50 1jba h PHE 48 CO -0.11 -0.49 0.23 0.34 -2.23 0.00 0.00 178.31 176.05 1jba n PHE 49 N -5.43 0.75 0.00 0.41 -0.00 -0.29 -4.03 117.46 108.87 1jba n PHE 49 Ca -0.04 1.01 0.00 0.00 -0.00 0.00 0.00 57.45 58.42 1jba n PHE 49 Cb 0.37 -1.27 0.00 0.00 -0.00 0.00 0.00 39.48 38.58 1jba n PHE 49 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1jba n LYS 50 N -5.07 0.00 0.00 -4.13 5.02 0.31 -5.10 118.16 109.18 1jba n LYS 50 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1jba n LYS 50 Cb 0.86 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.87 1jba n LYS 50 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1jba n VAL 51 N 0.00 0.00 -1.55 -0.18 0.31 0.95 -4.98 118.33 112.88 1jba n VAL 51 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 1jba n VAL 51 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1jba n VAL 51 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1jba n PRO 52 N 0.00 0.95 -1.46 5.55 -0.04 -1.26 -4.87 135.00 133.87 1jba n PRO 52 Ca 0.00 -0.09 -0.45 0.00 -0.04 0.00 0.00 63.50 62.92 1jba n PRO 52 Cb 0.00 -3.40 -0.02 0.00 -0.04 0.00 0.00 33.50 30.05 1jba n PRO 52 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1jba n ASP 53 N 16.02 -0.47 0.00 3.54 2.03 -1.26 -4.95 116.55 131.46 1jba n ASP 53 Ca 0.39 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.78 1jba n ASP 53 Cb 0.52 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 1jba n ASP 53 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1jba n ASN 54 N 1.62 0.00 0.00 1.67 0.23 -1.26 -5.12 115.26 112.39 1jba n ASN 54 Ca 0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.18 1jba n ASN 54 Cb 0.31 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 1jba n ASN 54 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1jba n GLU 55 N 0.00 0.00 -0.22 -3.83 -0.58 -1.26 -5.00 120.64 109.75 1jba n GLU 55 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 1jba n GLU 55 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 1jba n GLU 55 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1jba h GLU 56 N 0.00 -0.27 -2.13 3.49 4.39 -2.00 0.13 114.58 118.19 1jba h GLU 56 Ca 0.00 0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 1jba h GLU 56 Cb 0.00 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 1jba h GLU 56 CO 0.00 -0.18 -0.14 0.00 -1.16 0.00 0.00 179.01 177.53 1jba n ALA 57 N -3.13 4.67 -0.01 3.43 0.00 -1.26 -3.58 120.51 120.62 1jba n ALA 57 Ca -0.02 -0.94 0.03 0.00 0.00 0.00 0.00 53.44 52.51 1jba n ALA 57 Cb 0.32 -1.91 -0.08 0.00 0.00 0.00 0.00 19.45 17.79 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 2.24 0.15 -0.05 0.00 5.66 0.03 -4.46 114.28 117.85 1jba n THR 58 Ca 0.22 -0.28 -0.13 0.00 -3.05 0.00 0.00 64.05 60.81 1jba n THR 58 Cb 0.62 0.03 -0.07 0.00 -1.55 0.00 0.00 70.33 69.36 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 0.37 0.34 1.09 4.15 -1.76 -2.56 115.11 116.74 1jba h GLN 59 Ca -0.06 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.16 1jba h GLN 59 Cb 0.73 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.41 1jba h GLN 59 CO 0.00 0.77 -0.40 -0.92 -1.93 0.00 0.00 178.83 176.35 1jba h TYR 60 N -0.02 -1.11 -0.67 3.99 3.20 -1.85 -2.02 116.97 118.50 1jba h TYR 60 Ca 0.02 0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.04 1jba h TYR 60 Cb 0.72 0.44 -0.10 0.00 1.54 0.00 0.00 36.73 39.33 1jba h TYR 60 CO 0.09 -0.55 0.11 0.28 -1.64 0.00 0.00 178.16 176.45 1jba h VAL 61 N -0.78 0.54 -0.60 1.81 2.07 -1.78 0.62 116.25 118.13 1jba h VAL 61 Ca -0.02 -0.08 0.12 0.00 0.82 0.00 0.00 66.70 67.54 1jba h VAL 61 Cb 0.72 0.30 -0.12 0.00 -1.52 0.00 0.00 31.29 30.67 1jba h VAL 61 CO -0.10 0.04 -0.20 -0.08 0.02 0.00 0.00 177.57 177.25 1jba h GLU 62 N 0.22 -0.05 -0.92 1.57 4.81 -0.94 0.66 114.58 119.92 1jba h GLU 62 Ca 0.36 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.82 1jba h GLU 62 Cb 0.59 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.86 1jba h GLU 62 CO -0.49 -0.03 0.44 0.00 -0.73 0.00 0.00 179.01 178.20 1jba h ALA 63 N 1.45 1.52 -0.01 2.92 0.00 -0.31 0.14 119.26 124.96 1jba h ALA 63 Ca 0.28 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.37 1jba h ALA 63 Cb 0.48 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1jba h ALA 63 CO -0.64 -0.33 -0.21 1.98 0.00 0.00 0.00 179.25 180.05 1jba h MET 64 N 0.44 -0.32 0.00 0.00 1.85 0.57 0.35 114.93 117.82 1jba h MET 64 Ca 0.58 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.69 1jba h MET 64 Cb 1.10 0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.21 1jba h MET 64 CO -0.52 -0.21 0.00 0.34 -0.40 0.00 0.00 176.91 176.12 1jba n PHE 65 N -5.34 0.34 -0.07 1.39 7.35 0.39 0.26 117.46 121.78 1jba n PHE 65 Ca -0.05 0.18 -0.08 0.00 -0.76 0.00 0.00 57.45 56.75 1jba n PHE 65 Cb 0.26 -0.78 -0.04 0.00 0.35 0.00 0.00 39.48 39.26 1jba n PHE 65 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1jba h ARG 66 N 0.00 0.00 -0.00 -4.13 2.43 0.51 -3.22 114.38 109.97 1jba h ARG 66 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jba h ARG 66 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1jba h ARG 66 CO 0.00 0.32 -0.32 0.00 -1.51 0.00 0.00 179.97 178.46 1jba n ALA 67 N -3.17 3.13 -0.05 2.80 0.00 -0.66 -4.34 120.51 118.22 1jba n ALA 67 Ca -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 53.44 53.02 1jba n ALA 67 Cb 0.28 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.42 0.19 0.00 0.00 -0.00 0.14 -4.85 117.46 111.52 1jba n PHE 68 Ca 0.07 0.08 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 1jba n PHE 68 Cb 0.33 -0.39 0.00 0.00 -0.00 0.00 0.00 39.48 39.43 1jba n PHE 68 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1jba n ASP 69 N -3.65 0.00 0.00 -2.13 -0.08 -1.22 -4.87 116.55 104.59 1jba n ASP 69 Ca -0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 1jba n ASP 69 Cb 0.26 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.72 1jba n ASP 69 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1jba n THR 70 N 0.00 0.00 0.00 5.18 -1.04 -1.22 -4.87 114.28 112.33 1jba n THR 70 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1jba n THR 70 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1jba n THR 70 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1jba n ASN 71 N 9.94 0.00 0.00 8.00 4.13 -1.26 -3.24 115.26 132.82 1jba n ASN 71 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1jba n ASN 71 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1jba n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jba n GLY 72 N 0.00 0.42 0.07 7.41 0.00 -1.26 -4.99 105.19 106.83 1jba n GLY 72 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.70 -0.41 1.61 5.68 -1.20 -4.94 116.55 117.99 1jba n ASP 73 Ca 0.00 0.08 -0.05 0.00 -0.50 0.00 0.00 54.79 54.32 1jba n ASP 73 Cb 0.00 0.47 -0.02 0.00 -1.14 0.00 0.00 41.12 40.43 1jba n ASP 73 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1jba n ASN 74 N -2.23 -4.24 -3.79 -1.12 5.03 -1.26 -4.98 115.26 102.67 1jba n ASN 74 Ca 0.02 0.13 -0.12 0.00 0.87 0.00 0.00 54.58 55.48 1jba n ASN 74 Cb 0.47 -2.22 -0.09 0.00 -1.02 0.00 0.00 39.78 36.93 1jba n ASN 74 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1jba s THR 75 N -2.00 0.07 -0.13 3.41 -1.32 -1.26 -4.80 115.64 109.61 1jba s THR 75 Ca 0.00 -0.60 -0.07 0.00 -1.21 0.00 0.00 61.69 59.80 1jba s THR 75 Cb 0.00 -0.66 -0.04 0.00 -1.51 0.00 0.00 72.50 70.29 1jba s THR 75 CO 0.00 -0.33 0.14 -0.63 -2.21 0.00 0.00 174.62 171.59 1jba s ILE 76 N -1.67 5.49 0.26 5.08 1.01 -0.57 -4.88 121.20 125.93 1jba s ILE 76 Ca -0.12 0.20 0.06 0.00 0.00 0.00 0.00 60.65 60.80 1jba s ILE 76 Cb -0.05 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 1jba s ILE 76 CO 0.02 0.59 0.31 1.51 0.00 0.00 0.00 174.94 177.37 1jba s ASP 77 N -0.83 5.91 0.04 3.58 1.47 -1.26 -0.58 116.67 125.00 1jba s ASP 77 Ca 0.14 -0.12 -0.09 0.00 1.18 0.00 0.00 52.55 53.66 1jba s ASP 77 Cb -0.12 -1.55 -0.02 0.00 -0.34 0.00 0.00 42.92 40.89 1jba s ASP 77 CO 0.03 -0.12 1.15 0.15 0.68 0.00 0.00 175.17 177.06 1jba h PHE 78 N 1.26 -0.50 -0.80 2.11 3.57 -1.95 -1.67 116.94 118.96 1jba h PHE 78 Ca -0.49 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.14 1jba h PHE 78 Cb 1.24 0.24 -0.13 0.00 2.79 0.00 0.00 35.95 40.09 1jba h PHE 78 CO 0.49 -0.12 -0.45 1.25 -2.23 0.00 0.00 178.31 177.25 1jba h LEU 79 N -0.06 -1.62 -0.87 0.59 5.85 -1.98 0.31 115.31 117.53 1jba h LEU 79 Ca 0.03 0.28 0.23 0.00 0.84 0.00 0.00 57.88 59.27 1jba h LEU 79 Cb 0.14 0.76 -0.14 0.00 0.37 0.00 0.00 40.66 41.79 1jba h LEU 79 CO -0.21 -0.30 0.21 -0.33 -0.34 0.00 0.00 178.44 177.47 1jba h GLU 80 N -0.11 0.19 -0.51 1.25 5.08 -1.73 0.90 114.58 119.65 1jba h GLU 80 Ca 0.23 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1jba h GLU 80 Cb 0.54 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1jba h GLU 80 CO -0.84 0.12 0.34 -0.92 -1.00 0.00 0.00 179.01 176.71 1jba h TYR 81 N 0.19 0.61 0.00 4.33 3.20 0.35 -2.54 116.97 123.11 1jba h TYR 81 Ca 0.54 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.33 1jba h TYR 81 Cb 1.08 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 39.16 1jba h TYR 81 CO -0.28 0.38 -0.36 0.28 -1.64 0.00 0.00 178.16 176.53 1jba h VAL 82 N 0.65 1.52 -1.08 1.81 2.07 0.12 -2.81 116.25 118.52 1jba h VAL 82 Ca 0.19 -2.01 0.29 0.00 0.82 0.00 0.00 66.70 66.00 1jba h VAL 82 Cb -0.02 2.74 -0.10 0.00 -1.52 0.00 0.00 31.29 32.40 1jba h VAL 82 CO -0.05 0.56 0.70 0.00 0.02 0.00 0.00 177.57 178.80 1jba h ALA 83 N 0.27 2.32 -0.04 1.67 0.00 -0.47 0.20 119.26 123.21 1jba h ALA 83 Ca -0.05 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jba h ALA 83 Cb 1.11 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1jba h ALA 83 CO 0.07 -0.76 -0.02 0.00 0.00 0.00 0.00 179.25 178.54 1jba h ALA 84 N 1.62 0.05 -0.75 0.00 0.00 -1.42 -2.67 119.26 116.09 1jba h ALA 84 Ca 0.63 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.38 1jba h ALA 84 Cb 1.67 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.35 1jba h ALA 84 CO -0.31 -0.21 -0.52 -0.07 0.00 0.00 0.00 179.25 178.15 1jba h LEU 85 N -0.33 -1.85 -2.00 0.00 -0.00 -0.33 2.62 115.31 113.42 1jba h LEU 85 Ca 0.01 0.27 0.13 0.00 -0.00 0.00 0.00 57.88 58.29 1jba h LEU 85 Cb 0.47 0.81 -0.02 0.00 -0.00 0.00 0.00 40.66 41.91 1jba h LEU 85 CO 0.01 -0.24 0.33 -1.13 -0.00 0.00 0.00 178.44 177.40 1jba h ASN 86 N -0.09 0.00 0.09 -0.43 -0.00 -1.53 0.26 115.58 113.88 1jba h ASN 86 Ca 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.42 1jba h ASN 86 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.72 1jba h ASN 86 CO -0.76 0.00 -0.05 0.25 -0.00 0.00 0.00 177.43 176.88 1jba h LEU 87 N 0.00 -0.11 0.06 0.34 7.12 0.40 -3.42 115.31 119.69 1jba h LEU 87 Ca 0.22 -0.14 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 1jba h LEU 87 Cb 0.87 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.03 1jba h LEU 87 CO -0.00 0.44 -0.03 -0.37 -0.13 0.00 0.00 178.44 178.35 1jba h VAL 88 N -1.02 0.00 -2.22 1.05 -1.51 0.31 -3.45 116.25 109.42 1jba h VAL 88 Ca -0.01 -0.39 -0.61 0.00 -1.23 0.00 0.00 66.70 64.45 1jba h VAL 88 Cb 0.24 0.00 0.13 0.00 -2.13 0.00 0.00 31.29 29.53 1jba h VAL 88 CO 0.02 0.00 -0.22 -0.11 -1.23 0.00 0.00 177.57 176.04 1jba n LEU 89 N -3.29 0.53 -0.36 4.19 7.94 0.87 -4.61 117.00 122.28 1jba n LEU 89 Ca -0.01 1.04 -0.05 0.00 -1.11 0.00 0.00 56.01 55.88 1jba n LEU 89 Cb 0.03 -1.16 -0.01 0.00 0.53 0.00 0.00 43.42 42.81 1jba n LEU 89 CO 0.02 -2.33 0.04 -1.14 -1.11 0.00 0.00 177.39 172.87 1jba n ARG 90 N 0.67 0.00 -3.73 1.96 0.63 -1.26 -4.63 116.66 110.29 1jba n ARG 90 Ca 0.12 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.92 1jba n ARG 90 Cb 0.35 -0.12 -0.02 0.00 0.45 0.00 0.00 32.46 33.12 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 0.12 2.06 0.00 5.14 0.00 -1.26 -4.92 105.19 106.33 1jba n GLY 91 Ca 0.02 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.52 0.31 -3.57 2.61 -2.24 -1.26 -5.08 114.28 104.53 1jba n THR 92 Ca -0.00 -0.31 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 1jba n THR 92 Cb 0.53 0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 69.56 1jba n THR 92 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1jba s LEU 93 N -0.31 4.21 0.00 3.22 2.34 -1.26 -4.97 118.68 121.90 1jba s LEU 93 Ca 0.00 0.65 0.29 0.00 0.06 0.00 0.00 54.13 55.13 1jba s LEU 93 Cb 0.00 -3.40 1.27 0.00 -0.56 0.00 0.00 46.19 43.50 1jba s LEU 93 CO 0.00 -0.02 1.93 -1.84 -1.06 0.00 0.00 176.35 175.36 1jba n GLU 94 N -0.22 0.10 0.14 1.48 -0.00 -1.26 -3.82 120.64 117.06 1jba n GLU 94 Ca -0.02 -0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.16 1jba n GLU 94 Cb 0.52 -1.50 0.13 0.00 -0.00 0.00 0.00 31.44 30.60 1jba n GLU 94 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1jba n HIS 95 N -1.45 0.17 0.31 -1.84 -0.00 -1.26 0.84 115.22 111.99 1jba n HIS 95 Ca 0.09 0.09 0.16 0.00 0.46 0.00 0.00 57.72 58.51 1jba n HIS 95 Cb 0.32 -0.27 0.69 0.00 -0.12 0.00 0.00 29.99 30.61 1jba n HIS 95 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 1jba h LYS 96 N 0.00 0.00 0.45 1.57 1.63 -1.93 -2.24 116.57 116.05 1jba h LYS 96 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1jba h LYS 96 Cb 1.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1jba h LYS 96 CO 0.00 0.00 -0.22 1.25 -3.45 0.00 0.00 179.45 177.03 1jba h LEU 97 N 0.00 -0.51 -0.84 5.20 7.12 0.11 -2.38 115.31 124.01 1jba h LEU 97 Ca 0.00 0.02 -0.12 0.00 0.13 0.00 0.00 57.88 57.91 1jba h LEU 97 Cb 0.38 0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.63 1jba h LEU 97 CO 0.00 -0.22 -0.56 0.07 -0.13 0.00 0.00 178.44 177.60 1jba h LYS 98 N -0.89 0.00 0.85 1.25 2.10 -1.77 -1.92 116.57 116.18 1jba h LYS 98 Ca -0.06 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.55 1jba h LYS 98 Cb 0.47 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.80 1jba h LYS 98 CO 0.10 0.56 -0.41 2.35 -2.00 0.00 0.00 179.45 180.05 1jba h TRP 99 N 0.00 -1.05 -0.23 0.07 7.01 -1.48 -1.49 115.95 118.78 1jba h TRP 99 Ca -0.01 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.97 1jba h TRP 99 Cb 1.02 0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 28.42 1jba h TRP 99 CO 0.00 -0.65 0.15 0.00 -2.79 0.00 0.00 178.44 175.15 1jba h THR 100 N -1.22 1.06 -1.10 2.65 1.03 -1.47 -1.50 112.91 112.36 1jba h THR 100 Ca -0.12 -0.13 0.32 0.00 -0.01 0.00 0.00 66.41 66.47 1jba h THR 100 Cb 0.88 0.74 -0.11 0.00 -1.07 0.00 0.00 68.15 68.58 1jba h THR 100 CO 0.19 0.06 0.70 0.15 -0.01 0.00 0.00 175.52 176.61 1jba h PHE 101 N 0.31 0.69 -0.11 0.00 3.04 -1.27 0.35 116.94 119.95 1jba h PHE 101 Ca 0.08 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 1jba h PHE 101 Cb -0.03 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.29 1jba h PHE 101 CO -0.06 -0.04 0.02 -0.22 -2.02 0.00 0.00 178.31 175.99 1jba h LYS 102 N 0.32 0.17 -1.06 1.11 3.64 -0.20 -2.50 116.57 118.06 1jba h LYS 102 Ca 0.68 -0.04 0.28 0.00 -1.27 0.00 0.00 60.65 60.30 1jba h LYS 102 Cb 1.79 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 33.48 1jba h LYS 102 CO -0.39 0.36 0.67 0.82 -2.27 0.00 0.00 179.45 178.64 1jba h ILE 103 N -0.04 0.48 -0.00 2.00 1.08 -0.06 2.18 117.51 123.14 1jba h ILE 103 Ca 0.03 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1jba h ILE 103 Cb 0.26 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.07 1jba h ILE 103 CO 0.00 0.07 -0.05 -1.22 -0.69 0.00 0.00 178.15 176.26 1jba n TYR 104 N -4.69 0.00 -3.02 1.37 4.01 -0.99 -4.19 117.16 109.65 1jba n TYR 104 Ca 0.27 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.60 1jba n TYR 104 Cb 0.91 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 1jba n TYR 104 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1jba n ASP 105 N -1.23 6.21 0.00 7.72 -0.08 0.73 -4.62 116.55 125.29 1jba n ASP 105 Ca 0.13 -3.44 0.00 0.00 -1.51 0.00 0.00 54.79 49.97 1jba n ASP 105 Cb 0.26 -1.19 0.00 0.00 2.34 0.00 0.00 41.12 42.53 1jba n ASP 105 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1jba n LYS 106 N 1.14 0.00 -0.03 -0.67 4.76 -1.26 0.12 118.16 122.22 1jba n LYS 106 Ca 0.28 0.20 0.22 0.00 -2.87 0.00 0.00 58.31 56.14 1jba n LYS 106 Cb 0.33 -0.71 0.52 0.00 -1.84 0.00 0.00 35.03 33.34 1jba n LYS 106 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 1jba h ASP 107 N 0.00 0.00 -5.25 4.39 3.04 -1.94 -3.45 116.42 113.20 1jba h ASP 107 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1jba h ASP 107 Cb 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.25 1jba h ASP 107 CO 0.00 0.00 -1.14 -1.14 -2.04 0.00 0.00 179.24 174.92 1jba n ARG 108 N -3.30 -3.49 0.00 4.15 0.00 0.12 -5.00 116.66 109.14 1jba n ARG 108 Ca 0.15 2.77 0.00 0.00 -0.00 0.00 0.00 57.85 60.77 1jba n ARG 108 Cb 1.12 -4.75 0.00 0.00 0.00 0.00 0.00 32.46 28.83 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 1.13 0.00 0.00 6.15 6.94 -1.26 -5.03 115.26 123.19 1jba n ASN 109 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.43 1jba n ASN 109 Cb 0.24 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 1jba n ASN 109 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jba n GLY 110 N 0.67 -0.86 3.14 4.83 0.00 -1.26 -5.14 105.19 106.57 1jba n GLY 110 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.91 1.83 0.16 0.00 1.01 -0.67 -4.88 121.20 114.75 1jba s ILE 112 Ca 0.07 -1.49 0.04 0.00 0.00 0.00 0.00 60.65 59.27 1jba s ILE 112 Cb 0.07 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 1jba s ILE 112 CO -0.09 0.06 -0.07 -0.62 0.00 0.00 0.00 174.94 174.21 1jba s ASP 113 N -1.72 1.70 0.31 3.58 -1.08 -1.26 -2.75 116.67 115.45 1jba s ASP 113 Ca 0.08 -1.06 0.06 0.00 -0.52 0.00 0.00 52.55 51.12 1jba s ASP 113 Cb -0.10 0.01 0.84 0.00 -1.46 0.00 0.00 42.92 42.22 1jba s ASP 113 CO 0.04 -0.39 1.65 0.03 0.52 0.00 0.00 175.17 177.02 1jba h ARG 114 N 2.73 0.24 -0.58 4.34 3.08 -1.96 0.28 114.38 122.51 1jba h ARG 114 Ca -0.37 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.61 1jba h ARG 114 Cb 1.20 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 1jba h ARG 114 CO 0.64 0.16 0.14 -0.56 -1.07 0.00 0.00 179.97 179.28 1jba h GLN 115 N 0.24 0.93 -0.94 0.04 3.07 -1.98 -0.78 115.11 115.69 1jba h GLN 115 Ca 0.62 -0.22 0.13 0.00 0.09 0.00 0.00 58.65 59.27 1jba h GLN 115 Cb 1.31 -0.12 -0.09 0.00 0.08 0.00 0.00 27.48 28.66 1jba h GLN 115 CO -0.65 0.86 0.56 0.93 0.09 0.00 0.00 178.83 180.62 1jba h GLU 116 N 0.84 0.82 0.02 0.06 5.08 -1.26 -2.35 114.58 117.79 1jba h GLU 116 Ca 0.18 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1jba h GLU 116 Cb 0.35 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1jba h GLU 116 CO 0.00 0.54 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.47 1jba h LEU 117 N 0.84 -0.02 -1.11 1.33 3.38 -1.28 -2.88 115.31 115.56 1jba h LEU 117 Ca 0.49 -0.58 0.26 0.00 0.09 0.00 0.00 57.88 58.14 1jba h LEU 117 Cb 0.57 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1jba h LEU 117 CO -0.30 0.75 1.12 0.25 0.09 0.00 0.00 178.44 180.34 1jba h LEU 118 N -0.98 0.00 0.07 1.67 5.85 -1.00 2.08 115.31 123.01 1jba h LEU 118 Ca -0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1jba h LEU 118 Cb 0.60 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.64 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 0.24 0.16 1.25 3.58 -1.41 -2.48 116.42 117.76 1jba h ASP 119 Ca 0.43 -0.96 -0.01 0.00 0.42 0.00 0.00 57.03 56.92 1jba h ASP 119 Cb 2.67 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 43.64 1jba h ASP 119 CO -0.00 1.23 -0.07 0.40 -2.88 0.00 0.00 179.24 177.91 1jba h ILE 120 N -0.67 0.93 -0.74 2.25 1.08 0.33 -2.92 117.51 117.76 1jba h ILE 120 Ca -0.09 -1.09 0.14 0.00 -0.39 0.00 0.00 64.86 63.43 1jba h ILE 120 Cb 1.35 1.52 -0.09 0.00 -3.07 0.00 0.00 36.82 36.53 1jba h ILE 120 CO 0.07 0.23 0.30 0.58 -0.69 0.00 0.00 178.15 178.63 1jba h VAL 121 N -0.79 0.68 -0.70 1.67 2.07 -0.05 0.23 116.25 119.35 1jba h VAL 121 Ca -0.02 -0.15 0.15 0.00 0.82 0.00 0.00 66.70 67.50 1jba h VAL 121 Cb 0.53 0.19 -0.11 0.00 -1.52 0.00 0.00 31.29 30.37 1jba h VAL 121 CO 0.03 0.08 0.08 -0.08 0.02 0.00 0.00 177.57 177.70 1jba h GLU 122 N 0.45 0.17 0.36 1.57 4.57 -1.42 0.83 114.58 121.11 1jba h GLU 122 Ca 0.40 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.56 1jba h GLU 122 Cb 0.59 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1jba h GLU 122 CO -0.39 0.11 -0.17 0.77 -1.18 0.00 0.00 179.01 178.15 1jba h SER 123 N 0.17 -0.41 -0.81 1.04 0.02 -0.42 0.71 113.55 113.86 1jba h SER 123 Ca 0.38 -0.06 0.20 0.00 -0.84 0.00 0.00 61.79 61.47 1jba h SER 123 Cb 0.65 0.10 -0.14 0.00 0.14 0.00 0.00 62.40 63.15 1jba h SER 123 CO -0.55 -0.19 0.06 0.40 -1.14 0.00 0.00 176.83 175.40 1jba h ILE 124 N -0.60 0.30 -0.07 3.27 5.03 0.31 0.82 117.51 126.57 1jba h ILE 124 Ca -0.05 -0.04 -0.11 0.00 -0.12 0.00 0.00 64.86 64.54 1jba h ILE 124 Cb 0.44 0.17 -0.01 0.00 -3.03 0.00 0.00 36.82 34.39 1jba h ILE 124 CO 0.08 0.02 -0.46 1.88 -0.68 0.00 0.00 178.15 179.00 1jba h TYR 125 N 0.12 0.20 -0.84 1.37 -1.99 -0.64 -2.80 116.97 112.39 1jba h TYR 125 Ca 0.46 -0.06 0.20 0.00 2.00 0.00 0.00 58.73 61.33 1jba h TYR 125 Cb 0.86 -0.04 -0.12 0.00 2.00 0.00 0.00 36.73 39.43 1jba h TYR 125 CO -0.40 0.60 0.30 -0.22 -0.00 0.00 0.00 178.16 178.44 1jba h LYS 126 N 0.14 0.33 0.07 4.88 1.63 0.31 0.54 116.57 124.47 1jba h LYS 126 Ca 0.01 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1jba h LYS 126 Cb 0.86 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1jba h LYS 126 CO 0.07 0.22 -0.03 1.25 -3.45 0.00 0.00 179.45 177.50 1jba h LEU 127 N 0.34 -0.08 -1.93 5.20 7.12 -1.34 -3.22 115.31 121.40 1jba h LEU 127 Ca 0.51 -0.53 0.19 0.00 0.13 0.00 0.00 57.88 58.18 1jba h LEU 127 Cb 0.93 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 41.06 1jba h LEU 127 CO -0.53 0.60 0.58 0.50 -0.13 0.00 0.00 178.44 179.46 1jba h LYS 128 N -0.88 0.00 0.00 1.25 3.64 -1.08 -2.81 116.57 116.70 1jba h LYS 128 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jba h LYS 128 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1jba h LYS 128 CO 0.02 0.00 0.00 1.17 -2.27 0.00 0.00 179.45 178.37 1jba n LYS 129 N -3.93 0.00 -1.79 1.90 4.81 0.18 -2.49 118.16 116.84 1jba n LYS 129 Ca 0.13 0.74 -0.34 0.00 -0.87 0.00 0.00 58.31 57.98 1jba n LYS 129 Cb 0.83 -1.49 -0.02 0.00 0.02 0.00 0.00 35.03 34.37 1jba n LYS 129 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jba n ALA 130 N -2.47 6.51 0.23 3.14 0.00 -1.06 -4.57 120.51 122.30 1jba n ALA 130 Ca 0.00 -3.62 0.11 0.00 0.00 0.00 0.00 53.44 49.93 1jba n ALA 130 Cb 0.00 -2.26 0.50 0.00 0.00 0.00 0.00 19.45 17.70 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 -3.37 -2.45 -0.68 0.00 2.88 -1.26 -5.01 113.62 103.72 1jba n SER 132 Ca 0.00 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1jba n SER 132 Cb 0.40 -1.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.24 1jba n SER 132 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1jba n VAL 133 N -3.79 0.00 0.73 2.46 0.24 -1.26 -5.01 118.33 111.71 1jba n VAL 133 Ca -0.05 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.29 1jba n VAL 133 Cb 0.54 0.00 0.14 0.00 -1.47 0.00 0.00 33.84 33.05 1jba n VAL 133 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1jba n GLU 134 N 0.00 2.03 -0.99 7.34 0.28 -1.26 -4.46 120.64 123.57 1jba n GLU 134 Ca 0.00 -1.08 -0.14 0.00 -0.16 0.00 0.00 57.16 55.78 1jba n GLU 134 Cb 0.00 -1.48 -0.16 0.00 1.43 0.00 0.00 31.44 31.23 1jba n GLU 134 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1jba n VAL 135 N 0.28 3.01 -1.12 3.84 0.31 -1.26 -4.02 118.33 119.37 1jba n VAL 135 Ca 0.10 -1.54 0.08 0.00 -0.01 0.00 0.00 64.34 62.98 1jba n VAL 135 Cb 0.41 -2.03 0.19 0.00 -0.91 0.00 0.00 33.84 31.49 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 2.60 1.82 0.00 5.55 0.28 -1.26 -4.69 120.64 124.94 1jba n GLU 136 Ca 0.44 -2.76 0.00 0.00 -0.16 0.00 0.00 57.16 54.69 1jba n GLU 136 Cb 0.84 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 32.08 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 -1.12 0.00 0.21 -1.84 0.00 -1.26 -4.97 120.51 111.53 1jba n ALA 137 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.68 1jba n ALA 137 Cb 0.74 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.44 1jba n ALA 137 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1jba h GLU 138 N 0.00 0.00 -0.41 0.00 9.09 -1.84 -3.30 114.58 118.13 1jba h GLU 138 Ca 0.00 0.00 0.13 0.00 0.05 0.00 0.00 59.36 59.54 1jba h GLU 138 Cb 0.00 0.00 -0.19 0.00 -1.65 0.00 0.00 28.75 26.91 1jba h GLU 138 CO 0.00 0.00 -0.14 -0.65 0.05 0.00 0.00 179.01 178.27 1jba s GLN 139 N -3.39 0.28 0.14 1.06 -0.21 -1.26 -5.17 119.66 111.11 1jba s GLN 139 Ca -0.01 0.08 -0.03 0.00 0.02 0.00 0.00 55.36 55.42 1jba s GLN 139 Cb 0.03 0.07 0.01 0.00 1.00 0.00 0.00 33.01 34.12 1jba s GLN 139 CO 0.08 -0.46 0.23 0.00 -2.12 0.00 0.00 175.29 173.03 1jba n GLN 140 N 4.59 0.34 -3.87 2.91 -0.00 -1.24 -5.11 117.38 114.99 1jba n GLN 140 Ca 0.08 -0.94 -0.30 0.00 -0.00 0.00 0.00 57.00 55.84 1jba n GLN 140 Cb 0.59 1.02 -0.14 0.00 -0.00 0.00 0.00 30.24 31.71 1jba n GLN 140 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1jba s GLY 141 N -1.79 2.23 -1.39 2.61 0.00 -1.26 -4.82 107.32 102.91 1jba s GLY 141 Ca 0.08 -3.10 -0.00 0.00 0.00 0.00 0.00 44.72 41.71 1jba s GLY 141 CO 0.06 1.18 0.48 0.28 0.00 0.00 0.00 173.10 175.10 1jba n LYS 142 N 3.18 -3.64 -1.98 2.90 4.01 -1.26 -4.26 118.16 117.10 1jba n LYS 142 Ca 0.07 0.45 0.00 0.00 -0.51 0.00 0.00 58.31 58.32 1jba n LYS 142 Cb 0.33 -4.67 0.00 0.00 -0.51 0.00 0.00 35.03 30.18 1jba n LYS 142 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1jba n LEU 143 N -4.37 -5.78 0.00 -0.35 7.99 -1.26 -5.08 117.00 108.15 1jba n LEU 143 Ca -0.31 2.81 -0.24 0.00 -0.01 0.00 0.00 56.01 58.27 1jba n LEU 143 Cb 0.68 -2.94 -0.07 0.00 -0.11 0.00 0.00 43.42 40.98 1jba n LEU 143 CO 0.74 -1.86 -0.15 0.00 -1.51 0.00 0.00 177.39 174.60 1jba n LEU 144 N 1.68 0.00 -4.71 2.23 -0.00 -1.26 -5.17 117.00 109.77 1jba n LEU 144 Ca 0.00 -2.91 -0.23 0.00 -0.00 0.00 0.00 56.01 52.88 1jba n LEU 144 Cb 0.00 0.96 -0.06 0.00 -0.00 0.00 0.00 43.42 44.32 1jba n LEU 144 CO 0.00 -0.45 -0.27 0.42 -0.00 0.00 0.00 177.39 177.09 1jba s THR 145 N -2.98 3.83 0.62 1.47 -4.23 -1.26 -4.99 115.64 108.11 1jba s THR 145 Ca 0.19 -1.70 0.31 0.00 -1.18 0.00 0.00 61.69 59.31 1jba s THR 145 Cb 0.01 -3.05 0.36 0.00 1.34 0.00 0.00 72.50 71.16 1jba s THR 145 CO 0.14 -0.35 2.04 -0.65 -0.54 0.00 0.00 174.62 175.25 1jba h PRO 146 N 1.78 0.00 -0.02 3.99 0.10 -2.01 0.67 132.00 136.51 1jba h PRO 146 Ca -0.46 0.00 -0.23 0.00 0.10 0.00 0.00 66.00 65.41 1jba h PRO 146 Cb 1.24 0.00 0.01 0.00 0.10 0.00 0.00 31.00 32.35 1jba h PRO 146 CO 0.60 0.00 -0.94 0.93 0.10 0.00 0.00 178.00 178.69 1jba h GLU 147 N 0.00 0.51 0.12 1.05 5.08 -1.96 -3.08 114.58 116.29 1jba h GLU 147 Ca 0.08 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1jba h GLU 147 Cb 0.62 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1jba h GLU 147 CO -0.00 1.16 -0.06 1.49 -1.00 0.00 0.00 179.01 180.60 1jba h GLU 148 N 0.30 -0.16 -0.82 2.33 4.22 -1.25 -1.98 114.58 117.22 1jba h GLU 148 Ca -0.09 0.01 0.19 0.00 0.08 0.00 0.00 59.36 59.55 1jba h GLU 148 Cb 1.58 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.71 1jba h GLU 148 CO 0.17 -0.11 -0.06 -0.24 -2.18 0.00 0.00 179.01 176.60 1jba h VAL 149 N -0.16 0.23 -0.77 0.32 3.04 -1.69 1.59 116.25 118.80 1jba h VAL 149 Ca -0.02 -0.02 0.20 0.00 -1.01 0.00 0.00 66.70 65.86 1jba h VAL 149 Cb 0.13 0.17 -0.04 0.00 -2.01 0.00 0.00 31.29 29.54 1jba h VAL 149 CO 0.02 0.01 0.54 0.58 -1.01 0.00 0.00 177.57 177.71 1jba h VAL 150 N 0.05 0.66 0.00 1.51 2.07 -1.44 0.76 116.25 119.86 1jba h VAL 150 Ca 0.44 -0.04 -0.14 0.00 0.82 0.00 0.00 66.70 67.77 1jba h VAL 150 Cb 0.78 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1jba h VAL 150 CO -0.77 0.02 -0.69 -0.78 0.02 0.00 0.00 177.57 175.38 1jba h ASP 151 N 0.12 0.00 0.75 0.57 1.82 0.30 -2.31 116.42 117.67 1jba h ASP 151 Ca 0.37 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.78 1jba h ASP 151 Cb 1.29 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.29 1jba h ASP 151 CO -0.05 0.69 -1.07 -0.09 -1.61 0.00 0.00 179.24 177.11 1jba h ARG 152 N 0.00 0.16 -0.04 0.28 2.43 0.17 -1.94 114.38 115.45 1jba h ARG 152 Ca -0.01 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 58.88 1jba h ARG 152 Cb 1.48 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.12 1jba h ARG 152 CO 0.09 1.08 -0.10 0.82 -1.51 0.00 0.00 179.97 180.35 1jba h ILE 153 N 0.06 1.45 0.00 1.20 2.04 -0.45 0.52 117.51 122.33 1jba h ILE 153 Ca -0.07 -1.50 -0.05 0.00 1.00 0.00 0.00 64.86 64.24 1jba h ILE 153 Cb 1.79 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 40.22 1jba h ILE 153 CO 0.16 0.41 -0.24 0.15 0.00 0.00 0.00 178.15 178.63 1jba h PHE 154 N -0.41 0.00 0.00 1.37 3.04 -1.50 -2.83 116.94 116.61 1jba h PHE 154 Ca -0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1jba h PHE 154 Cb 0.72 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.22 1jba h PHE 154 CO 0.13 0.24 -0.19 1.25 -2.02 0.00 0.00 178.31 177.72 1jba h LEU 155 N 0.00 0.00 -0.67 0.59 5.85 -1.30 -2.65 115.31 117.13 1jba h LEU 155 Ca -0.00 -0.32 0.12 0.00 0.84 0.00 0.00 57.88 58.53 1jba h LEU 155 Cb 0.54 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.44 1jba h LEU 155 CO 0.03 0.76 -0.28 0.25 -0.34 0.00 0.00 178.44 178.86 1jba h LEU 156 N -1.00 -1.00 -1.26 2.25 5.85 -0.92 0.52 115.31 119.76 1jba h LEU 156 Ca -0.03 0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 1jba h LEU 156 Cb 0.47 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1jba h LEU 156 CO -0.02 -0.28 -0.37 -0.37 -0.34 0.00 0.00 178.44 177.06 1jba h VAL 157 N -0.09 1.22 -1.83 1.05 -1.51 -1.66 -3.09 116.25 110.34 1jba h VAL 157 Ca 0.29 -1.28 -0.72 0.00 -1.23 0.00 0.00 66.70 63.76 1jba h VAL 157 Cb 0.55 1.70 -0.25 0.00 -2.13 0.00 0.00 31.29 31.15 1jba h VAL 157 CO -0.73 0.36 0.95 -0.67 -1.23 0.00 0.00 177.57 176.25 1jba n ASP 158 N -4.04 7.36 0.26 4.19 2.03 0.18 -4.63 116.55 121.90 1jba n ASP 158 Ca -0.02 -3.73 0.13 0.00 0.52 0.00 0.00 54.79 51.69 1jba n ASP 158 Cb 0.41 -1.10 0.68 0.00 -0.72 0.00 0.00 41.12 40.40 1jba n ASP 158 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1jba h GLU 159 N 2.99 0.00 -0.15 -0.67 4.11 -1.34 -2.91 114.58 116.60 1jba h GLU 159 Ca 0.54 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.97 1jba h GLU 159 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1jba h GLU 159 CO 1.34 0.14 0.10 -2.95 0.07 0.00 0.00 179.01 177.70 1jba h ASN 160 N 0.00 0.18 -0.31 3.06 7.08 -1.88 -3.49 115.58 120.22 1jba h ASN 160 Ca -0.00 -0.03 0.00 0.00 -3.08 0.00 0.00 56.30 53.18 1jba h ASN 160 Cb 0.42 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 36.61 1jba h ASN 160 CO 0.02 0.16 0.00 0.61 -2.08 0.00 0.00 177.43 176.14 1jba n GLY 161 N -1.05 -0.25 0.00 9.14 0.00 -1.10 -5.07 105.19 106.85 1jba n GLY 161 Ca -0.04 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1jba n GLY 161 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jba n ASP 162 N 0.00 0.00 0.00 1.61 8.00 -1.26 -5.00 116.55 119.90 1jba n ASP 162 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1jba n ASP 162 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1jba n ASP 162 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jba n GLY 163 N 0.00 2.87 3.39 0.44 0.00 -1.26 -4.95 105.19 105.68 1jba n GLY 163 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.07 2.98 -0.66 1.61 -1.52 -1.26 -4.95 119.66 115.79 1jba s GLN 164 Ca 0.00 -0.72 -0.17 0.00 -1.95 0.00 0.00 55.36 52.52 1jba s GLN 164 Cb 0.00 -2.48 0.14 0.00 -0.22 0.00 0.00 33.01 30.46 1jba s GLN 164 CO 0.00 0.37 0.69 -1.17 -0.25 0.00 0.00 175.29 174.93 1jba s LEU 165 N -0.07 5.96 0.92 2.90 2.96 -1.11 -4.98 118.68 125.26 1jba s LEU 165 Ca -0.03 -1.91 -0.12 0.00 -0.22 0.00 0.00 54.13 51.85 1jba s LEU 165 Cb -0.14 -2.26 0.20 0.00 0.50 0.00 0.00 46.19 44.49 1jba s LEU 165 CO 0.04 -0.90 1.26 -0.55 -1.32 0.00 0.00 176.35 174.88 1jba s SER 166 N 3.27 3.23 -0.05 3.68 0.15 -1.26 -1.67 113.70 121.05 1jba s SER 166 Ca 0.12 -0.01 -0.23 0.00 0.70 0.00 0.00 55.95 56.52 1jba s SER 166 Cb -0.21 -0.03 -0.18 0.00 -1.71 0.00 0.00 66.02 63.88 1jba s SER 166 CO 0.00 -2.63 1.01 0.25 1.20 0.00 0.00 173.24 173.07 1jba h LEU 167 N -1.43 -0.13 -1.04 3.45 5.85 -1.97 -2.70 115.31 117.35 1jba h LEU 167 Ca -0.41 -0.44 0.40 0.00 0.84 0.00 0.00 57.88 58.27 1jba h LEU 167 Cb 1.23 0.03 -0.17 0.00 0.37 0.00 0.00 40.66 42.12 1jba h LEU 167 CO 0.34 0.43 0.58 0.78 -0.34 0.00 0.00 178.44 180.23 1jba h ASN 168 N -0.75 0.36 0.03 1.25 4.21 -1.96 1.18 115.58 119.90 1jba h ASN 168 Ca -0.02 0.23 -0.23 0.00 1.21 0.00 0.00 56.30 57.49 1jba h ASN 168 Cb 0.55 0.22 0.01 0.00 -1.12 0.00 0.00 38.32 37.99 1jba h ASN 168 CO 0.02 -0.34 -0.89 -0.33 -1.29 0.00 0.00 177.43 174.61 1jba h GLU 169 N 0.09 0.66 0.44 0.81 5.08 -1.90 -2.77 114.58 116.99 1jba h GLU 169 Ca 0.82 -0.62 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1jba h GLU 169 Cb 2.14 0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.54 1jba h GLU 169 CO -0.69 1.22 -0.23 0.35 -1.00 0.00 0.00 179.01 178.66 1jba h PHE 170 N 0.41 -0.61 -0.89 4.33 3.57 0.17 -0.14 116.94 123.78 1jba h PHE 170 Ca -0.08 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.59 1jba h PHE 170 Cb 1.52 0.21 -0.11 0.00 2.79 0.00 0.00 35.95 40.37 1jba h PHE 170 CO 0.08 -0.36 0.44 -0.39 -2.23 0.00 0.00 178.31 175.85 1jba h VAL 171 N -0.62 0.61 0.00 1.41 -1.51 -1.34 2.48 116.25 117.28 1jba h VAL 171 Ca -0.06 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.23 1jba h VAL 171 Cb 0.48 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.67 1jba h VAL 171 CO 0.08 0.10 0.00 -0.08 -1.23 0.00 0.00 177.57 176.44 1jba h GLU 172 N 0.53 0.00 0.00 5.19 4.81 -1.27 -0.08 114.58 123.77 1jba h GLU 172 Ca 0.52 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.55 1jba h GLU 172 Cb 0.87 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 1jba h GLU 172 CO -0.44 0.00 -1.73 0.41 -0.73 0.00 0.00 179.01 176.52 1jba n GLY 173 N -0.45 -0.19 0.15 1.92 0.00 0.42 -4.28 105.19 102.76 1jba n GLY 173 Ca 0.01 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1jba n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba h ALA 174 N -0.22 -0.12 0.00 4.61 0.00 0.36 -0.26 119.26 123.62 1jba h ALA 174 Ca -0.31 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 53.71 1jba h ALA 174 Cb 1.37 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1jba h ALA 174 CO -0.12 0.74 0.00 -2.13 0.00 0.00 0.00 179.25 177.74 1jba n ARG 175 N -3.70 0.03 -0.03 0.00 0.63 -0.05 -3.35 116.66 110.19 1jba n ARG 175 Ca -0.18 0.10 0.01 0.00 -0.92 0.00 0.00 57.85 56.87 1jba n ARG 175 Cb 1.10 -1.54 -0.09 0.00 0.45 0.00 0.00 32.46 32.38 1jba n ARG 175 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1jba n ARG 176 N -1.58 1.07 -4.74 -0.14 1.74 -1.19 -4.98 116.66 106.84 1jba n ARG 176 Ca 0.06 -0.07 -0.33 0.00 -0.77 0.00 0.00 57.85 56.74 1jba n ARG 176 Cb 0.30 -1.29 -0.13 0.00 -1.02 0.00 0.00 32.46 30.31 1jba n ARG 176 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jba s ASP 177 N -3.82 4.25 -0.64 0.55 1.01 -0.11 -5.01 116.67 112.90 1jba s ASP 177 Ca -0.05 -0.19 -0.01 0.00 0.71 0.00 0.00 52.55 53.01 1jba s ASP 177 Cb 0.06 -1.26 0.47 0.00 1.01 0.00 0.00 42.92 43.21 1jba s ASP 177 CO 0.50 0.27 2.01 1.17 0.21 0.00 0.00 175.17 179.33 1jba n LYS 178 N 2.80 2.65 0.04 8.23 4.81 -1.26 -4.44 118.16 130.99 1jba n LYS 178 Ca -0.18 -3.27 0.00 0.00 -0.87 0.00 0.00 58.31 53.99 1jba n LYS 178 Cb 0.53 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.30 1jba n LYS 178 CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 1jba n TRP 179 N -0.94 -0.42 -0.21 5.64 -0.00 -1.26 -4.54 117.44 115.71 1jba n TRP 179 Ca 0.62 0.07 0.01 0.00 -0.00 0.00 0.00 57.50 58.21 1jba n TRP 179 Cb 0.78 0.18 0.10 0.00 -0.00 0.00 0.00 31.31 32.36 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 0.46 0.24 5.87 -1.51 -1.91 -1.29 116.25 118.12 1jba h VAL 180 Ca 0.00 -0.03 -0.01 0.00 -1.23 0.00 0.00 66.70 65.43 1jba h VAL 180 Cb 0.00 0.36 0.00 0.00 -2.13 0.00 0.00 31.29 29.53 1jba h VAL 180 CO 0.00 0.02 -0.12 0.00 -1.23 0.00 0.00 177.57 176.24 1jba h MET 181 N 0.09 -0.31 -1.07 5.19 -0.00 -1.87 -2.36 114.93 114.60 1jba h MET 181 Ca 0.32 0.02 0.30 0.00 -0.00 0.00 0.00 59.70 60.34 1jba h MET 181 Cb 0.52 0.07 -0.12 0.00 -0.00 0.00 0.00 31.60 32.08 1jba h MET 181 CO -0.55 -0.08 0.67 0.87 -0.00 0.00 0.00 176.91 177.82 1jba h LYS 182 N -0.51 0.35 0.50 -0.10 1.79 -1.60 2.42 116.57 119.42 1jba h LYS 182 Ca -0.03 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1jba h LYS 182 Cb 0.38 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1jba h LYS 182 CO 0.05 0.23 -0.24 0.52 -1.08 0.00 0.00 179.45 178.94 1jba h MET 183 N 0.36 -0.64 0.00 3.15 2.86 -0.95 -2.75 114.93 116.96 1jba h MET 183 Ca 0.67 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.35 1jba h MET 183 Cb 1.66 0.15 0.00 0.00 0.06 0.00 0.00 31.60 33.47 1jba h MET 183 CO -0.41 -0.36 0.00 1.47 1.06 0.00 0.00 176.91 178.67 1jba n LEU 184 N -5.24 0.49 0.00 1.22 -0.00 -0.66 -4.03 117.00 108.79 1jba n LEU 184 Ca -0.10 0.57 -0.00 0.00 -0.00 0.00 0.00 56.01 56.48 1jba n LEU 184 Cb 0.30 -0.44 -0.00 0.00 -0.00 0.00 0.00 43.42 43.27 1jba n LEU 184 CO 0.25 -0.24 0.11 -0.61 -0.00 0.00 0.00 177.39 176.90 1jba h GLN 185 N 0.00 -0.01 0.00 1.47 4.15 0.41 -3.50 115.11 117.62 1jba h GLN 185 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1jba h GLN 185 Cb 0.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1jba h GLN 185 CO 0.00 -0.01 0.00 -0.12 -1.93 0.00 0.00 178.83 176.77 1jba n MET 186 N -2.15 0.00 0.00 1.69 0.00 -1.04 -5.05 117.12 110.56 1jba n MET 186 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.68 1jba n MET 186 Cb 0.01 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 0.00 0.64 0.00 6.12 8.00 -1.26 -4.61 116.55 125.44 1jba n ASP 187 Ca 0.00 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1jba n ASP 187 Cb 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 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 -3.11 0.00 0.08 0.64 -0.00 -1.26 -3.75 117.00 109.60 1jba n LEU 188 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1jba n LEU 188 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1jba n LEU 188 CO 0.03 0.00 0.00 0.59 -0.00 0.00 0.00 177.39 178.01 1jba n ASN 189 N 2.80 -1.39 0.00 1.96 5.03 -1.26 -5.33 115.26 117.06 1jba n ASN 189 Ca 0.00 0.40 0.00 0.00 0.87 0.00 0.00 54.58 55.85 1jba n ASN 189 Cb 0.00 1.53 0.00 0.00 -1.02 0.00 0.00 39.78 40.29 1jba n ASN 189 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78