#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jba s GLN 3 N 0.00 1.56 -0.02 1.61 -1.52 -1.26 -5.02 119.66 115.01 1jba s GLN 3 Ca 0.00 -0.66 -0.00 0.00 -1.95 0.00 0.00 55.36 52.74 1jba s GLN 3 Cb 0.00 -2.16 0.03 0.00 -0.22 0.00 0.00 33.01 30.66 1jba s GLN 3 CO 0.00 -1.63 0.04 -0.65 -0.25 0.00 0.00 175.29 172.80 1jba s GLN 4 N -5.37 -0.02 -0.20 2.91 -1.52 -1.26 -4.46 119.66 109.74 1jba s GLN 4 Ca 0.66 0.18 -0.36 0.00 -1.95 0.00 0.00 55.36 53.90 1jba s GLN 4 Cb -0.07 -0.21 0.14 0.00 -0.22 0.00 0.00 33.01 32.66 1jba s GLN 4 CO 0.47 -0.15 1.24 -0.59 -0.25 0.00 0.00 175.29 176.01 1jba s PHE 5 N 0.94 -0.11 0.56 0.91 -0.12 -1.26 -4.98 117.98 113.92 1jba s PHE 5 Ca -0.08 0.06 -0.09 0.00 -0.05 0.00 0.00 56.93 56.77 1jba s PHE 5 Cb -0.11 0.51 0.14 0.00 -0.63 0.00 0.00 43.02 42.94 1jba s PHE 5 CO -0.03 -0.18 0.38 -1.13 -0.05 0.00 0.00 175.22 174.22 1jba n SER 6 N -0.09 -2.35 -0.07 1.98 3.41 -1.26 -4.86 113.62 110.37 1jba n SER 6 Ca 0.01 -0.51 -0.09 0.00 -0.26 0.00 0.00 58.87 58.03 1jba n SER 6 Cb 0.58 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 1jba n SER 6 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1jba h TRP 7 N -2.42 0.00 -1.28 7.33 6.55 -1.99 -3.22 115.95 120.91 1jba h TRP 7 Ca -0.16 0.00 0.39 0.00 0.95 0.00 0.00 58.89 60.07 1jba h TRP 7 Cb 0.52 0.00 -0.10 0.00 -0.86 0.00 0.00 29.16 28.72 1jba h TRP 7 CO 0.00 0.49 0.85 1.05 -1.05 0.00 0.00 178.44 179.78 1jba h GLU 8 N -1.00 0.15 0.00 0.49 4.11 -1.98 0.11 114.58 116.45 1jba h GLU 8 Ca -0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1jba h GLU 8 Cb 0.62 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1jba h GLU 8 CO -0.05 0.10 0.00 0.39 0.07 0.00 0.00 179.01 179.52 1jba n GLU 9 N -4.53 0.00 -0.27 1.06 1.02 -1.26 -1.18 120.64 115.48 1jba n GLU 9 Ca 0.33 0.50 0.33 0.00 -0.02 0.00 0.00 57.16 58.30 1jba n GLU 9 Cb 1.31 -1.26 0.67 0.00 -0.02 0.00 0.00 31.44 32.14 1jba n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jba h ALA 10 N -2.00 3.00 0.03 0.62 0.00 -1.39 0.50 119.26 120.03 1jba h ALA 10 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jba h ALA 10 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1jba h ALA 10 CO 0.00 -1.56 -0.02 1.49 0.00 0.00 0.00 179.25 179.16 1jba h GLU 11 N 0.00 -0.04 -0.63 0.00 4.57 -0.73 -3.14 114.58 114.60 1jba h GLU 11 Ca 0.53 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.71 1jba h GLU 11 Cb 2.50 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 31.10 1jba h GLU 11 CO -0.01 0.58 0.00 -1.91 -1.18 0.00 0.00 179.01 176.49 1jba n GLU 12 N -4.80 1.98 -1.95 1.92 0.00 0.14 -4.86 120.64 113.07 1jba n GLU 12 Ca -0.09 -0.94 -0.17 0.00 0.00 0.00 0.00 57.16 55.97 1jba n GLU 12 Cb 0.32 -1.53 0.09 0.00 0.00 0.00 0.00 31.44 30.31 1jba n GLU 12 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1jba n ASN 13 N 0.19 0.90 0.02 4.31 4.05 0.93 -5.01 115.26 120.65 1jba n ASN 13 Ca 0.08 -1.77 -0.04 0.00 0.45 0.00 0.00 54.58 53.30 1jba n ASN 13 Cb 0.42 -0.47 -0.10 0.00 1.23 0.00 0.00 39.78 40.85 1jba n ASN 13 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1jba h GLY 14 N -0.47 0.00 -5.66 8.20 0.00 -1.89 -3.47 103.07 99.78 1jba h GLY 14 Ca -0.24 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.29 1jba h GLY 14 CO 0.25 0.00 0.27 0.00 0.00 0.00 0.00 176.54 177.06 1jba s ALA 15 N -2.77 -2.92 0.24 3.60 0.00 -1.26 -5.13 121.76 113.52 1jba s ALA 15 Ca -0.03 1.91 -0.31 0.00 0.00 0.00 0.00 51.96 53.53 1jba s ALA 15 Cb 0.08 -2.17 -0.13 0.00 0.00 0.00 0.00 23.12 20.91 1jba s ALA 15 CO 0.81 -1.03 1.45 1.33 0.00 0.00 0.00 175.76 178.32 1jba n VAL 16 N 4.96 0.91 0.00 0.00 0.24 -1.26 -4.77 118.33 118.41 1jba n VAL 16 Ca -0.08 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 1jba n VAL 16 Cb 0.53 -1.56 0.00 0.00 -1.47 0.00 0.00 33.84 31.34 1jba n VAL 16 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jba n GLY 17 N 2.23 -0.26 0.49 7.63 0.00 -1.26 -4.91 105.19 109.11 1jba n GLY 17 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 1jba n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 18 N -1.26 -1.08 0.00 4.61 0.00 -1.26 -4.53 120.51 116.99 1jba n ALA 18 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1jba n ALA 18 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.24 0.00 -1.00 0.00 0.00 -1.26 -4.24 120.51 111.77 1jba n ALA 19 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1jba n ALA 19 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 0.14 0.00 -0.22 0.00 -0.08 -1.26 -2.38 116.55 112.74 1jba n ASP 20 Ca 0.00 0.39 0.06 0.00 -1.51 0.00 0.00 54.79 53.74 1jba n ASP 20 Cb 0.00 0.00 0.14 0.00 2.34 0.00 0.00 41.12 43.60 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jba n ALA 21 N -1.09 0.23 -0.23 -1.67 0.00 -1.26 0.25 120.51 116.74 1jba n ALA 21 Ca 0.00 0.69 0.04 0.00 0.00 0.00 0.00 53.44 54.16 1jba n ALA 21 Cb 0.00 -0.45 0.14 0.00 0.00 0.00 0.00 19.45 19.14 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 1.26 0.76 -0.45 0.00 0.00 -1.93 0.39 119.26 119.29 1jba h ALA 22 Ca 0.34 0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.38 1jba h ALA 22 Cb 0.62 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1jba h ALA 22 CO -0.62 -0.39 -0.04 1.96 0.00 0.00 0.00 179.25 180.15 1jba h GLN 23 N 0.15 0.76 -0.51 0.00 4.20 0.36 -2.75 115.11 117.32 1jba h GLN 23 Ca 0.38 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 1jba h GLN 23 Cb 0.65 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1jba h GLN 23 CO -0.57 0.80 0.14 -0.07 -0.67 0.00 0.00 178.83 178.45 1jba h LEU 24 N 0.70 0.77 -0.52 1.46 -0.00 0.14 -2.22 115.31 115.64 1jba h LEU 24 Ca 0.13 -0.22 0.08 0.00 -0.00 0.00 0.00 57.88 57.87 1jba h LEU 24 Cb 0.49 -0.20 -0.07 0.00 -0.00 0.00 0.00 40.66 40.89 1jba h LEU 24 CO 0.03 0.79 0.16 -0.61 -0.00 0.00 0.00 178.44 178.80 1jba h GLN 25 N 0.70 0.31 -0.79 1.13 -0.00 -0.25 0.31 115.11 116.53 1jba h GLN 25 Ca 0.16 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.78 1jba h GLN 25 Cb 0.32 -0.07 -0.04 0.00 0.00 0.00 0.00 27.48 27.69 1jba h GLN 25 CO -0.00 0.21 0.46 1.49 0.00 0.00 0.00 178.83 180.99 1jba h GLU 26 N 0.32 1.08 0.00 1.69 4.81 -1.24 -1.35 114.58 119.88 1jba h GLU 26 Ca 0.26 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1jba h GLU 26 Cb 0.32 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1jba h GLU 26 CO -0.29 0.76 -0.19 -1.49 -0.73 0.00 0.00 179.01 177.07 1jba h TRP 27 N 1.09 0.00 0.13 0.92 6.55 -0.49 -2.76 115.95 121.39 1jba h TRP 27 Ca 0.28 0.00 -0.30 0.00 0.95 0.00 0.00 58.89 59.83 1jba h TRP 27 Cb -0.02 0.00 0.03 0.00 -0.86 0.00 0.00 29.16 28.31 1jba h TRP 27 CO 0.01 0.19 -1.24 -0.92 -1.05 0.00 0.00 178.44 175.43 1jba h TYR 28 N 0.00 1.00 -0.08 0.49 5.03 0.58 -1.85 116.97 122.14 1jba h TYR 28 Ca -0.00 -0.64 -0.02 0.00 2.58 0.00 0.00 58.73 60.65 1jba h TYR 28 Cb 0.88 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 39.08 1jba h TYR 28 CO 0.00 1.48 -0.02 -0.22 -1.32 0.00 0.00 178.16 178.08 1jba h LYS 29 N 0.25 0.16 -0.29 1.82 1.63 -1.28 -2.83 116.57 116.03 1jba h LYS 29 Ca -0.19 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.46 1jba h LYS 29 Cb 1.91 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.52 1jba h LYS 29 CO 0.24 0.48 -0.20 -0.22 -3.45 0.00 0.00 179.45 176.29 1jba h LYS 30 N -0.17 0.53 0.14 1.90 3.64 -1.60 -1.21 116.57 119.82 1jba h LYS 30 Ca 0.02 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1jba h LYS 30 Cb 0.42 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1jba h LYS 30 CO 0.01 0.71 -0.12 0.35 -2.27 0.00 0.00 179.45 178.13 1jba h PHE 31 N 0.48 -0.32 0.00 1.91 3.57 -1.24 -3.38 116.94 117.96 1jba h PHE 31 Ca 0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1jba h PHE 31 Cb 0.62 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1jba h PHE 31 CO 0.02 -0.16 0.00 1.28 -2.23 0.00 0.00 178.31 177.22 1jba n LEU 32 N -2.98 0.32 0.00 0.59 4.32 -1.08 -4.78 117.00 113.39 1jba n LEU 32 Ca -0.03 0.56 0.00 0.00 -0.02 0.00 0.00 56.01 56.52 1jba n LEU 32 Cb 0.11 -0.43 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 1jba n LEU 32 CO 0.07 -0.43 0.00 1.21 -1.22 0.00 0.00 177.39 177.02 1jba n GLU 33 N -1.78 0.00 -0.59 3.23 0.00 -0.46 -2.90 120.64 118.15 1jba n GLU 33 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 1jba n GLU 33 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 31.44 31.10 1jba n GLU 33 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1jba n GLU 34 N 0.00 0.00 -3.11 5.31 4.07 -1.26 -4.98 120.64 120.67 1jba n GLU 34 Ca 0.00 -0.34 -0.24 0.00 -0.06 0.00 0.00 57.16 56.52 1jba n GLU 34 Cb 0.00 -0.03 -0.04 0.00 -0.06 0.00 0.00 31.44 31.31 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 0.21 0.72 0.00 0.00 -0.02 -1.26 -3.62 135.00 131.03 1jba n PRO 36 Ca 0.28 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1jba n PRO 36 Cb 0.50 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 1jba n PRO 36 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jba n SER 37 N 13.62 0.00 -2.50 2.55 3.41 -1.26 -5.03 113.62 124.41 1jba n SER 37 Ca 0.47 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.98 1jba n SER 37 Cb 0.35 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.35 1jba n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jba n GLY 38 N -0.04 -0.21 3.22 5.00 0.00 -1.24 -5.05 105.19 106.88 1jba n GLY 38 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.22 0.03 0.00 2.61 -4.23 -1.26 -4.25 115.64 105.31 1jba s THR 39 Ca 0.17 -0.22 0.05 0.00 -1.18 0.00 0.00 61.69 60.51 1jba s THR 39 Cb -0.02 -0.52 -0.01 0.00 1.34 0.00 0.00 72.50 73.29 1jba s THR 39 CO 0.44 -0.12 -0.16 -0.22 -0.54 0.00 0.00 174.62 174.02 1jba s LEU 40 N -0.48 2.06 0.25 4.79 0.20 -0.45 -4.96 118.68 120.08 1jba s LEU 40 Ca -0.06 -0.33 0.10 0.00 0.69 0.00 0.00 54.13 54.53 1jba s LEU 40 Cb -0.04 -0.77 -0.04 0.00 -0.43 0.00 0.00 46.19 44.91 1jba s LEU 40 CO 0.02 0.16 -0.07 -0.36 -0.29 0.00 0.00 176.35 175.81 1jba s PHE 41 N -0.47 2.59 0.07 5.38 0.08 -1.26 -0.49 117.98 123.88 1jba s PHE 41 Ca 0.05 -0.25 -0.16 0.00 0.12 0.00 0.00 56.93 56.70 1jba s PHE 41 Cb -0.06 -1.17 -0.05 0.00 -0.57 0.00 0.00 43.02 41.17 1jba s PHE 41 CO -0.00 0.61 1.27 1.98 -0.10 0.00 0.00 175.22 178.99 1jba h MET 42 N 2.22 -0.11 -0.90 0.44 1.85 -1.98 0.74 114.93 117.19 1jba h MET 42 Ca -0.44 0.01 0.22 0.00 -0.61 0.00 0.00 59.70 58.88 1jba h MET 42 Cb 1.24 0.03 -0.16 0.00 0.43 0.00 0.00 31.60 33.13 1jba h MET 42 CO 0.59 -0.07 -0.03 1.25 -0.40 0.00 0.00 176.91 178.24 1jba h HIS 43 N -0.12 -0.14 0.00 1.39 6.17 -2.00 2.23 115.15 122.68 1jba h HIS 43 Ca 0.05 0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.20 1jba h HIS 43 Cb 0.26 0.21 0.00 0.00 2.52 0.00 0.00 27.41 30.40 1jba h HIS 43 CO -0.80 -0.36 0.00 0.93 0.71 0.00 0.00 177.93 178.42 1jba h GLU 44 N 0.04 0.00 0.16 5.26 5.08 -1.32 -2.27 114.58 121.54 1jba h GLU 44 Ca 0.50 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.55 1jba h GLU 44 Cb 0.93 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.19 1jba h GLU 44 CO -0.84 0.00 -1.47 0.35 -1.00 0.00 0.00 179.01 176.05 1jba h PHE 45 N 0.00 0.61 0.05 4.33 3.04 0.52 -2.55 116.94 122.94 1jba h PHE 45 Ca 0.00 -0.45 -0.00 0.00 3.98 0.00 0.00 57.97 61.50 1jba h PHE 45 Cb 0.20 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.69 1jba h PHE 45 CO 0.00 1.43 -0.02 -0.22 -2.02 0.00 0.00 178.31 177.48 1jba h LYS 46 N 0.09 -0.06 0.72 1.11 3.64 -0.78 -2.47 116.57 118.82 1jba h LYS 46 Ca -0.23 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 1jba h LYS 46 Cb 2.05 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.89 1jba h LYS 46 CO 0.20 0.35 -0.35 0.00 -2.27 0.00 0.00 179.45 177.39 1jba h ARG 47 N -0.49 -0.93 -0.31 1.90 2.47 -1.61 -0.80 114.38 114.60 1jba h ARG 47 Ca -0.01 0.06 0.04 0.00 -1.26 0.00 0.00 59.98 58.81 1jba h ARG 47 Cb 0.44 0.21 -0.06 0.00 -1.65 0.00 0.00 29.97 28.91 1jba h ARG 47 CO 0.01 -0.60 -0.42 0.74 0.56 0.00 0.00 179.97 180.26 1jba h PHE 48 N -1.16 -1.29 0.00 3.04 -1.00 -1.57 1.08 116.94 116.05 1jba h PHE 48 Ca -0.10 0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1jba h PHE 48 Cb 0.77 0.60 0.00 0.00 3.61 0.00 0.00 35.95 40.93 1jba h PHE 48 CO -0.00 -0.37 0.00 0.34 -1.61 0.00 0.00 178.31 176.67 1jba n PHE 49 N -4.71 0.00 -3.24 -0.55 -0.00 -0.93 -4.01 117.46 104.01 1jba n PHE 49 Ca -0.03 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.07 1jba n PHE 49 Cb 0.26 -0.38 -0.04 0.00 -0.00 0.00 0.00 39.48 39.31 1jba n PHE 49 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1jba n LYS 50 N -1.87 3.45 -0.21 -4.13 4.81 -0.31 -4.86 118.16 115.04 1jba n LYS 50 Ca 0.00 -4.61 -0.03 0.00 -0.87 0.00 0.00 58.31 52.80 1jba n LYS 50 Cb 0.00 -2.39 0.16 0.00 0.02 0.00 0.00 35.03 32.82 1jba n LYS 50 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1jba h VAL 51 N 3.35 1.23 -0.27 3.15 3.04 0.11 -3.42 116.25 123.44 1jba h VAL 51 Ca 0.20 -0.72 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1jba h VAL 51 Cb 0.65 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 1jba h VAL 51 CO 1.07 0.29 0.00 -0.81 -1.01 0.00 0.00 177.57 177.11 1jba n PRO 52 N -4.31 2.22 0.00 4.17 -0.05 -1.26 -4.94 135.00 130.83 1jba n PRO 52 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.51 1jba n PRO 52 Cb 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.62 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 0.00 -2.60 0.00 3.54 -0.08 -1.26 -4.87 116.55 111.28 1jba n ASP 53 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1jba n ASP 53 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1jba n ASP 53 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1jba n ASN 54 N -2.59 0.00 0.00 1.67 3.02 -1.26 -5.07 115.26 111.02 1jba n ASN 54 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1jba n ASN 54 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1jba n ASN 54 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jba n GLU 55 N 0.00 1.13 -0.30 3.52 4.71 -1.26 -4.76 120.64 123.69 1jba n GLU 55 Ca 0.00 0.00 0.34 0.00 -0.01 0.00 0.00 57.16 57.49 1jba n GLU 55 Cb 0.00 -0.68 0.66 0.00 -1.01 0.00 0.00 31.44 30.40 1jba n GLU 55 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1jba h GLU 56 N 0.00 0.00 -1.77 3.49 4.57 -1.99 0.20 114.58 119.08 1jba h GLU 56 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jba h GLU 56 Cb 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1jba h GLU 56 CO 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.83 1jba n ALA 57 N -2.54 2.96 -0.08 2.92 0.00 -1.26 -3.21 120.51 119.29 1jba n ALA 57 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.63 1jba n ALA 57 Cb 1.42 -1.19 -0.15 0.00 0.00 0.00 0.00 19.45 19.53 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 1.32 1.11 0.33 0.00 -1.04 0.70 -4.30 114.28 112.39 1jba n THR 58 Ca 0.00 -0.75 -0.13 0.00 -2.04 0.00 0.00 64.05 61.13 1jba n THR 58 Cb 0.36 -0.42 -0.06 0.00 -1.82 0.00 0.00 70.33 68.39 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 -0.83 -0.32 -2.82 7.50 -1.81 -2.54 115.11 114.30 1jba h GLN 59 Ca -0.44 0.06 0.04 0.00 0.50 0.00 0.00 58.65 58.81 1jba h GLN 59 Cb 1.99 0.19 -0.07 0.00 0.05 0.00 0.00 27.48 29.64 1jba h GLN 59 CO 0.02 -0.55 -0.46 -0.92 -1.50 0.00 0.00 178.83 175.43 1jba h TYR 60 N -1.02 -1.39 -0.77 2.96 3.20 -1.83 -1.56 116.97 116.56 1jba h TYR 60 Ca -0.09 0.07 0.12 0.00 3.14 0.00 0.00 58.73 61.97 1jba h TYR 60 Cb 0.66 0.65 -0.13 0.00 1.54 0.00 0.00 36.73 39.44 1jba h TYR 60 CO 0.04 -0.41 -0.37 0.28 -1.64 0.00 0.00 178.16 176.06 1jba h VAL 61 N -0.34 0.09 -0.73 1.81 2.07 -1.75 0.15 116.25 117.55 1jba h VAL 61 Ca 0.06 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.72 1jba h VAL 61 Cb 0.49 0.09 -0.14 0.00 -1.52 0.00 0.00 31.29 30.21 1jba h VAL 61 CO -0.48 0.00 -0.23 -0.33 0.02 0.00 0.00 177.57 176.55 1jba h GLU 62 N -0.10 -0.04 -0.96 1.57 5.08 -0.84 0.49 114.58 119.80 1jba h GLU 62 Ca 0.28 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.84 1jba h GLU 62 Cb 0.57 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.72 1jba h GLU 62 CO -0.82 -0.02 0.54 0.00 -1.00 0.00 0.00 179.01 177.70 1jba h ALA 63 N 1.57 1.58 0.88 3.43 0.00 -0.32 -1.88 119.26 124.52 1jba h ALA 63 Ca 0.33 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 1jba h ALA 63 Cb 0.55 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1jba h ALA 63 CO -0.76 -0.16 -0.42 1.98 0.00 0.00 0.00 179.25 179.88 1jba h MET 64 N 0.63 -1.14 0.00 0.00 1.85 0.27 -0.47 114.93 116.06 1jba h MET 64 Ca 0.57 0.08 0.00 0.00 -0.61 0.00 0.00 59.70 59.74 1jba h MET 64 Cb 0.96 0.26 0.00 0.00 0.43 0.00 0.00 31.60 33.25 1jba h MET 64 CO -0.43 -0.76 0.42 0.35 -0.40 0.00 0.00 176.91 176.09 1jba h PHE 65 N -1.19 0.00 0.00 1.39 3.04 -0.99 0.35 116.94 119.55 1jba h PHE 65 Ca -0.12 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.83 1jba h PHE 65 Cb 0.91 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.42 1jba h PHE 65 CO 0.03 0.00 0.00 -2.13 -2.02 0.00 0.00 178.31 174.19 1jba n ARG 66 N -2.76 0.00 0.03 1.11 3.00 -0.76 -2.81 116.66 114.46 1jba n ARG 66 Ca -0.02 0.31 0.05 0.00 -0.00 0.00 0.00 57.85 58.19 1jba n ARG 66 Cb 0.46 -0.81 0.22 0.00 0.00 0.00 0.00 32.46 32.33 1jba n ARG 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1jba n ALA 67 N -2.18 1.29 -0.08 5.13 0.00 -0.26 -3.33 120.51 121.09 1jba n ALA 67 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.39 1jba n ALA 67 Cb 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.66 0.53 -1.40 0.00 -0.00 0.12 -4.73 117.46 110.32 1jba n PHE 68 Ca 0.01 0.23 -0.37 0.00 -0.00 0.00 0.00 57.45 57.32 1jba n PHE 68 Cb 0.08 -0.65 0.06 0.00 -0.00 0.00 0.00 39.48 38.97 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 -4.50 -0.73 0.00 -2.13 2.03 -1.13 -4.99 116.55 105.11 1jba n ASP 69 Ca -0.10 0.68 0.00 0.00 0.52 0.00 0.00 54.79 55.89 1jba n ASP 69 Cb 0.36 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 1jba n ASP 69 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1jba n THR 70 N -2.05 0.00 0.00 5.18 -2.24 -1.26 -4.89 114.28 109.02 1jba n THR 70 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1jba n THR 70 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1jba n THR 70 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jba n ASN 71 N 0.00 0.00 -0.30 3.42 5.03 -1.26 -3.91 115.26 118.24 1jba n ASN 71 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1jba n ASN 71 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1jba n ASN 71 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jba n GLY 72 N 0.00 0.82 0.00 7.41 0.00 -1.26 -5.04 105.19 107.12 1jba n GLY 72 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.27 0.09 -2.56 1.61 5.68 -1.25 -5.00 116.55 114.85 1jba n ASP 73 Ca 0.00 -1.03 -0.11 0.00 -0.50 0.00 0.00 54.79 53.15 1jba n ASP 73 Cb 0.10 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1jba n ASP 73 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1jba n ASN 74 N -0.02 -3.25 -3.68 -1.12 4.05 -1.26 -4.90 115.26 105.08 1jba n ASN 74 Ca 0.00 0.19 -0.11 0.00 0.45 0.00 0.00 54.58 55.12 1jba n ASN 74 Cb 0.38 -2.79 -0.11 0.00 1.23 0.00 0.00 39.78 38.48 1jba n ASN 74 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1jba s THR 75 N -2.52 -0.32 -0.38 -0.44 2.01 -1.26 -4.72 115.64 108.01 1jba s THR 75 Ca 0.04 0.17 -0.18 0.00 0.31 0.00 0.00 61.69 62.03 1jba s THR 75 Cb -0.02 -0.55 0.01 0.00 0.01 0.00 0.00 72.50 71.94 1jba s THR 75 CO 0.06 0.07 0.52 -0.63 -0.69 0.00 0.00 174.62 173.94 1jba s ILE 76 N 2.01 5.00 0.77 1.82 1.01 0.35 -4.84 121.20 127.32 1jba s ILE 76 Ca -0.04 0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 1jba s ILE 76 Cb -0.11 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.40 1jba s ILE 76 CO -0.11 -0.33 1.10 -1.81 0.00 0.00 0.00 174.94 173.78 1jba s ASP 77 N 1.82 4.49 0.26 3.58 1.01 -1.26 -1.35 116.67 125.22 1jba s ASP 77 Ca 0.18 1.86 -0.05 0.00 0.71 0.00 0.00 52.55 55.25 1jba s ASP 77 Cb -0.16 -2.53 0.51 0.00 1.01 0.00 0.00 42.92 41.76 1jba s ASP 77 CO 0.14 -2.05 1.64 0.15 0.21 0.00 0.00 175.17 175.26 1jba h PHE 78 N -1.06 0.05 0.83 4.23 3.57 -1.94 -1.05 116.94 121.58 1jba h PHE 78 Ca -0.44 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.08 1jba h PHE 78 Cb 1.23 0.10 0.01 0.00 2.79 0.00 0.00 35.95 40.09 1jba h PHE 78 CO 0.57 -0.23 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.95 1jba h LEU 79 N 0.13 -0.95 -0.70 0.59 -0.00 -1.95 -2.31 115.31 110.13 1jba h LEU 79 Ca 0.45 0.03 0.11 0.00 -0.00 0.00 0.00 57.88 58.47 1jba h LEU 79 Cb 0.83 0.25 -0.12 0.00 -0.00 0.00 0.00 40.66 41.61 1jba h LEU 79 CO -0.67 -0.66 -0.39 -0.33 -0.00 0.00 0.00 178.44 176.39 1jba h GLU 80 N -1.15 -0.13 -0.02 1.13 5.08 -1.63 0.25 114.58 118.11 1jba h GLU 80 Ca -0.11 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1jba h GLU 80 Cb 0.86 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1jba h GLU 80 CO 0.19 -0.09 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.02 1jba h TYR 81 N -0.14 -0.51 -1.19 4.33 3.20 -1.14 0.14 116.97 121.66 1jba h TYR 81 Ca 0.24 0.02 0.34 0.00 3.14 0.00 0.00 58.73 62.47 1jba h TYR 81 Cb 0.56 0.22 -0.09 0.00 1.54 0.00 0.00 36.73 38.96 1jba h TYR 81 CO -0.73 -0.18 0.79 0.28 -1.64 0.00 0.00 178.16 176.69 1jba h VAL 82 N -0.20 0.36 -0.79 1.81 2.07 -0.79 1.35 116.25 120.07 1jba h VAL 82 Ca 0.01 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.54 1jba h VAL 82 Cb 0.22 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 1jba h VAL 82 CO -0.13 0.04 0.52 0.00 0.02 0.00 0.00 177.57 178.02 1jba h ALA 83 N 1.54 1.71 -0.45 1.67 0.00 0.23 -0.73 119.26 123.24 1jba h ALA 83 Ca 0.67 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.53 1jba h ALA 83 Cb 2.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 1jba h ALA 83 CO -0.26 0.14 0.14 0.00 0.00 0.00 0.00 179.25 179.27 1jba h ALA 84 N 1.59 0.58 0.11 0.00 0.00 0.25 -2.73 119.26 119.06 1jba h ALA 84 Ca 0.35 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1jba h ALA 84 Cb 0.36 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1jba h ALA 84 CO -0.13 0.24 -0.37 -0.07 0.00 0.00 0.00 179.25 178.92 1jba h LEU 85 N 0.58 -1.10 -0.95 0.00 3.38 -0.95 -0.84 115.31 115.43 1jba h LEU 85 Ca 0.14 0.11 0.30 0.00 0.09 0.00 0.00 57.88 58.52 1jba h LEU 85 Cb 0.27 0.40 -0.16 0.00 0.09 0.00 0.00 40.66 41.26 1jba h LEU 85 CO -0.00 -0.40 0.33 0.78 0.09 0.00 0.00 178.44 179.23 1jba h ASN 86 N -0.54 0.08 0.07 -0.43 -0.26 -1.43 2.26 115.58 115.31 1jba h ASN 86 Ca -0.01 0.23 0.02 0.00 -0.56 0.00 0.00 56.30 55.98 1jba h ASN 86 Cb 0.54 0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 38.05 1jba h ASN 86 CO -0.19 -0.25 -0.19 0.25 -1.06 0.00 0.00 177.43 175.99 1jba h LEU 87 N 0.15 -0.55 0.00 1.61 7.12 -0.87 -3.37 115.31 119.41 1jba h LEU 87 Ca 0.66 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.74 1jba h LEU 87 Cb 1.48 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.83 1jba h LEU 87 CO -0.72 -0.27 -0.30 0.52 -0.13 0.00 0.00 178.44 177.54 1jba n VAL 88 N -5.32 0.77 -1.78 1.05 0.31 0.84 -1.29 118.33 112.91 1jba n VAL 88 Ca -0.06 0.34 -0.42 0.00 -0.01 0.00 0.00 64.34 64.19 1jba n VAL 88 Cb 0.24 -1.98 -0.03 0.00 -0.91 0.00 0.00 33.84 31.16 1jba n VAL 88 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1jba s LEU 89 N -6.51 4.32 -0.20 7.52 2.96 0.73 -3.48 118.68 124.02 1jba s LEU 89 Ca -0.09 2.46 -0.10 0.00 -0.22 0.00 0.00 54.13 56.18 1jba s LEU 89 Cb 0.01 -3.53 0.04 0.00 0.50 0.00 0.00 46.19 43.21 1jba s LEU 89 CO 0.13 -1.09 0.21 -1.14 -1.32 0.00 0.00 176.35 173.14 1jba n ARG 90 N 7.52 -4.33 0.00 1.98 0.00 -1.26 -3.80 116.66 116.76 1jba n ARG 90 Ca 0.20 3.29 0.00 0.00 -0.00 0.00 0.00 57.85 61.34 1jba n ARG 90 Cb 0.42 -4.96 0.00 0.00 0.00 0.00 0.00 32.46 27.92 1jba n ARG 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jba n GLY 91 N 1.60 1.80 3.84 5.14 0.00 -1.26 -4.64 105.19 111.68 1jba n GLY 91 Ca -0.35 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 1jba n GLY 91 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1jba n THR 92 N 0.00 0.00 0.00 2.61 5.66 -0.41 -4.88 114.28 117.26 1jba n THR 92 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1jba n THR 92 Cb 0.00 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 68.41 1jba n THR 92 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1jba n LEU 93 N -3.36 0.00 0.25 1.09 7.94 -1.26 -4.84 117.00 116.82 1jba n LEU 93 Ca 0.09 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.13 1jba n LEU 93 Cb 0.39 0.00 0.54 0.00 0.53 0.00 0.00 43.42 44.89 1jba n LEU 93 CO 0.71 -0.20 0.91 -0.33 -1.11 0.00 0.00 177.39 177.36 1jba h GLU 94 N 0.00 0.00 0.00 1.96 3.07 -1.99 -3.06 114.58 114.56 1jba h GLU 94 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1jba h GLU 94 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1jba h GLU 94 CO 0.00 0.07 0.68 1.25 -1.40 0.00 0.00 179.01 179.61 1jba h HIS 95 N 0.00 0.00 -0.13 4.33 2.76 -1.97 1.21 115.15 121.35 1jba h HIS 95 Ca -0.00 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 1jba h HIS 95 Cb 0.66 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 1jba h HIS 95 CO 0.00 0.00 -0.41 -0.22 -1.30 0.00 0.00 177.93 176.00 1jba h LYS 96 N 0.00 0.29 -0.34 5.26 3.64 -1.86 -2.91 116.57 120.65 1jba h LYS 96 Ca 0.00 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1jba h LYS 96 Cb 1.36 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.10 1jba h LYS 96 CO 0.00 0.66 -0.35 -0.07 -2.27 0.00 0.00 179.45 177.42 1jba h LEU 97 N 0.24 -1.16 -0.52 5.20 3.38 0.12 1.56 115.31 124.14 1jba h LEU 97 Ca 0.02 0.19 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 1jba h LEU 97 Cb 0.83 0.52 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 1jba h LEU 97 CO 0.07 -0.35 -0.01 0.07 0.09 0.00 0.00 178.44 178.32 1jba h LYS 98 N -0.31 0.93 -0.66 1.13 2.10 -1.71 -1.80 116.57 116.24 1jba h LYS 98 Ca 0.15 -0.30 -0.05 0.00 -2.00 0.00 0.00 60.65 58.45 1jba h LYS 98 Cb 0.56 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.78 1jba h LYS 98 CO -0.51 0.95 0.20 2.35 -2.00 0.00 0.00 179.45 180.44 1jba h TRP 99 N 0.80 1.05 -0.66 0.07 7.01 -1.02 -2.40 115.95 120.79 1jba h TRP 99 Ca 0.15 -0.10 -0.08 0.00 2.11 0.00 0.00 58.89 60.97 1jba h TRP 99 Cb 0.53 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 27.26 1jba h TRP 99 CO 0.04 0.84 0.10 1.15 -2.79 0.00 0.00 178.44 177.77 1jba h THR 100 N 0.98 1.26 -0.60 2.65 2.02 0.24 -2.48 112.91 116.98 1jba h THR 100 Ca 0.22 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1jba h THR 100 Cb 0.28 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1jba h THR 100 CO -0.01 0.39 0.39 0.15 0.37 0.00 0.00 175.52 176.82 1jba h PHE 101 N 1.03 0.76 -0.09 3.16 3.04 -0.92 -2.46 116.94 121.46 1jba h PHE 101 Ca 0.20 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.16 1jba h PHE 101 Cb 0.46 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.70 1jba h PHE 101 CO 0.03 0.48 0.03 0.87 -2.02 0.00 0.00 178.31 177.71 1jba h LYS 102 N 0.82 0.14 -0.23 1.11 1.57 -0.99 -2.83 116.57 116.15 1jba h LYS 102 Ca 0.22 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1jba h LYS 102 Cb -0.09 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.13 1jba h LYS 102 CO -0.05 0.27 -0.34 0.82 -0.57 0.00 0.00 179.45 179.58 1jba h ILE 103 N -0.02 0.24 -1.02 1.86 1.08 -1.18 0.15 117.51 118.62 1jba h ILE 103 Ca 0.03 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.75 1jba h ILE 103 Cb 0.18 0.24 -0.12 0.00 -3.07 0.00 0.00 36.82 34.05 1jba h ILE 103 CO -0.00 0.00 0.62 1.88 -0.69 0.00 0.00 178.15 179.96 1jba h TYR 104 N -0.36 0.92 -0.67 1.37 0.05 -1.43 -3.21 116.97 113.65 1jba h TYR 104 Ca 0.12 0.03 -0.45 0.00 0.05 0.00 0.00 58.73 58.49 1jba h TYR 104 Cb 0.56 -0.27 -0.06 0.00 1.01 0.00 0.00 36.73 37.97 1jba h TYR 104 CO -0.47 0.07 1.38 0.34 -1.05 0.00 0.00 178.16 178.42 1jba s ASP 105 N -5.21 5.68 0.00 3.88 2.15 0.54 -4.68 116.67 119.02 1jba s ASP 105 Ca -0.10 -1.73 0.30 0.00 0.43 0.00 0.00 52.55 51.45 1jba s ASP 105 Cb 0.27 -2.58 1.52 0.00 -0.30 0.00 0.00 42.92 41.82 1jba s ASP 105 CO 0.80 -2.37 2.03 1.17 -0.17 0.00 0.00 175.17 176.63 1jba n LYS 106 N 8.45 0.78 0.00 4.34 4.81 -1.22 -4.72 118.16 130.61 1jba n LYS 106 Ca 0.44 -0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1jba n LYS 106 Cb 0.47 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.02 1jba n LYS 106 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1jba n ASP 107 N -0.99 0.00 -2.78 3.14 5.68 -1.26 -5.11 116.55 115.23 1jba n ASP 107 Ca 0.18 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.50 1jba n ASP 107 Cb 0.22 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.21 1jba n ASP 107 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1jba s ARG 108 N 0.92 0.01 0.00 0.11 3.52 -1.26 -5.03 118.95 117.22 1jba s ARG 108 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 55.73 55.60 1jba s ARG 108 Cb 0.00 0.00 0.00 0.00 -1.56 0.00 0.00 34.95 33.39 1jba s ARG 108 CO 0.00 -0.02 0.25 0.09 -0.81 0.00 0.00 175.30 174.81 1jba n ASN 109 N 3.89 0.00 0.00 -2.12 4.13 -1.26 -4.96 115.26 114.94 1jba n ASN 109 Ca 0.06 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.32 1jba n ASN 109 Cb 0.63 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 1jba n ASN 109 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jba n GLY 110 N 0.00 0.00 3.14 7.41 0.00 -1.26 -4.81 105.19 109.68 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 -3.81 4.06 0.08 0.00 1.01 0.20 -4.90 121.20 117.85 1jba s ILE 112 Ca 0.05 -1.25 -0.04 0.00 0.00 0.00 0.00 60.65 59.42 1jba s ILE 112 Cb 0.06 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 1jba s ILE 112 CO -0.10 -0.09 0.07 1.51 0.00 0.00 0.00 174.94 176.33 1jba s ASP 113 N -2.96 0.32 0.33 3.58 -4.77 -1.26 -2.73 116.67 109.18 1jba s ASP 113 Ca 0.29 -0.92 0.05 0.00 -3.30 0.00 0.00 52.55 48.66 1jba s ASP 113 Cb -0.10 0.27 0.25 0.00 -1.09 0.00 0.00 42.92 42.25 1jba s ASP 113 CO 0.21 -0.68 0.94 0.54 0.70 0.00 0.00 175.17 176.87 1jba n ARG 114 N 0.00 0.04 -0.04 2.11 1.74 -1.26 0.15 116.66 119.41 1jba n ARG 114 Ca -0.12 0.51 -0.19 0.00 -0.77 0.00 0.00 57.85 57.27 1jba n ARG 114 Cb 0.62 -2.22 -0.13 0.00 -1.02 0.00 0.00 32.46 29.71 1jba n ARG 114 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1jba h GLN 115 N 0.00 0.12 -0.12 5.56 -0.00 -1.98 -2.31 115.11 116.38 1jba h GLN 115 Ca 0.00 -0.20 -0.00 0.00 -0.00 0.00 0.00 58.65 58.45 1jba h GLN 115 Cb 1.19 0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.74 1jba h GLN 115 CO 0.00 1.09 0.05 0.93 0.00 0.00 0.00 178.83 180.91 1jba h GLU 116 N -0.70 0.16 0.00 1.69 5.08 -0.58 -2.29 114.58 117.93 1jba h GLU 116 Ca -0.19 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1jba h GLU 116 Cb 1.39 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 1jba h GLU 116 CO -0.01 0.13 -0.23 -0.07 -1.00 0.00 0.00 179.01 177.82 1jba h LEU 117 N 0.16 0.00 -1.50 1.33 3.38 -1.61 -2.39 115.31 114.68 1jba h LEU 117 Ca 0.04 -0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.39 1jba h LEU 117 Cb 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1jba h LEU 117 CO -0.01 0.62 1.24 0.25 0.09 0.00 0.00 178.44 180.63 1jba h LEU 118 N -1.00 0.00 0.20 1.67 5.85 -1.41 2.56 115.31 123.17 1jba h LEU 118 Ca -0.00 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.40 1jba h LEU 118 Cb 0.24 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.29 1jba h LEU 118 CO -0.00 0.00 -1.48 -0.78 -0.34 0.00 0.00 178.44 175.84 1jba h ASP 119 N 0.00 0.66 0.03 1.25 1.82 -1.49 -2.73 116.42 115.96 1jba h ASP 119 Ca 0.65 -0.92 -0.00 0.00 -0.39 0.00 0.00 57.03 56.36 1jba h ASP 119 Cb 3.11 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 42.91 1jba h ASP 119 CO -0.01 1.69 -0.02 0.40 -1.61 0.00 0.00 179.24 179.70 1jba h ILE 120 N 0.00 1.40 -0.49 2.25 1.08 0.46 -2.62 117.51 119.60 1jba h ILE 120 Ca -0.28 -1.60 0.07 0.00 -0.39 0.00 0.00 64.86 62.65 1jba h ILE 120 Cb 2.02 2.44 -0.06 0.00 -3.07 0.00 0.00 36.82 38.16 1jba h ILE 120 CO 0.20 0.39 0.17 -0.37 -0.69 0.00 0.00 178.15 177.85 1jba h VAL 121 N -0.77 0.84 -0.76 1.67 -1.51 -0.07 0.28 116.25 115.93 1jba h VAL 121 Ca -0.00 -0.12 0.14 0.00 -1.23 0.00 0.00 66.70 65.48 1jba h VAL 121 Cb 0.68 0.45 -0.05 0.00 -2.13 0.00 0.00 31.29 30.24 1jba h VAL 121 CO 0.01 0.06 0.51 -0.08 -1.23 0.00 0.00 177.57 176.84 1jba h GLU 122 N 0.35 0.47 -0.00 5.19 4.22 -1.53 0.54 114.58 123.82 1jba h GLU 122 Ca 0.23 -0.03 -0.09 0.00 0.08 0.00 0.00 59.36 59.55 1jba h GLU 122 Cb 0.24 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1jba h GLU 122 CO -0.24 0.31 -0.44 0.66 -2.18 0.00 0.00 179.01 177.12 1jba h SER 123 N 0.49 0.01 0.20 1.04 4.64 -0.10 -2.59 113.55 117.24 1jba h SER 123 Ca 0.37 -0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.38 1jba h SER 123 Cb 0.76 -0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.87 1jba h SER 123 CO -0.13 0.45 -1.42 0.40 -0.87 0.00 0.00 176.83 175.26 1jba h ILE 124 N 0.01 1.20 -0.79 0.95 2.04 0.12 -2.67 117.51 118.37 1jba h ILE 124 Ca -0.00 -2.58 0.07 0.00 1.00 0.00 0.00 64.86 63.35 1jba h ILE 124 Cb 0.78 2.96 -0.06 0.00 -0.74 0.00 0.00 36.82 39.76 1jba h ILE 124 CO 0.06 0.79 0.47 1.88 0.00 0.00 0.00 178.15 181.35 1jba h TYR 125 N -0.03 0.86 -0.06 1.37 0.05 -0.19 -2.69 116.97 116.28 1jba h TYR 125 Ca -0.27 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.45 1jba h TYR 125 Cb 2.00 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 39.47 1jba h TYR 125 CO 0.14 0.42 -0.32 0.87 -1.05 0.00 0.00 178.16 178.21 1jba h LYS 126 N 0.84 0.33 -0.76 4.88 1.79 -1.57 -2.65 116.57 119.42 1jba h LYS 126 Ca 0.35 -0.27 0.10 0.00 -2.18 0.00 0.00 60.65 58.66 1jba h LYS 126 Cb 0.21 0.06 -0.12 0.00 -1.58 0.00 0.00 32.23 30.79 1jba h LYS 126 CO -0.19 0.91 -0.47 1.25 -1.08 0.00 0.00 179.45 179.88 1jba h LEU 127 N -0.18 -1.66 -0.42 2.94 7.12 -1.16 0.54 115.31 122.49 1jba h LEU 127 Ca -0.02 0.28 -0.04 0.00 0.13 0.00 0.00 57.88 58.23 1jba h LEU 127 Cb 0.97 0.77 -0.02 0.00 -0.53 0.00 0.00 40.66 41.85 1jba h LEU 127 CO 0.07 -0.30 0.10 0.50 -0.13 0.00 0.00 178.44 178.67 1jba h LYS 128 N -0.13 0.67 -1.21 1.25 1.63 -1.58 -2.47 116.57 114.73 1jba h LYS 128 Ca 0.21 -0.16 0.35 0.00 -0.85 0.00 0.00 60.65 60.19 1jba h LYS 128 Cb 0.54 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 32.03 1jba h LYS 128 CO -0.81 0.69 0.88 -0.22 -3.45 0.00 0.00 179.45 176.54 1jba h LYS 129 N 0.54 0.00 -0.01 1.90 1.63 -0.56 1.80 116.57 121.88 1jba h LYS 129 Ca 0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1jba h LYS 129 Cb 0.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1jba h LYS 129 CO 0.00 0.00 -0.17 0.00 -3.45 0.00 0.00 179.45 175.84 1jba n ALA 130 N -2.76 2.90 -1.00 5.00 0.00 -0.57 -4.63 120.51 119.46 1jba n ALA 130 Ca 0.26 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1jba n ALA 130 Cb 1.28 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.76 -4.04 0.00 3.41 -1.26 -5.04 113.62 105.94 1jba n SER 132 Ca 0.00 -1.57 -0.13 0.00 -0.26 0.00 0.00 58.87 56.91 1jba n SER 132 Cb 0.00 0.23 -0.09 0.00 -0.26 0.00 0.00 64.21 64.09 1jba n SER 132 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1jba s VAL 133 N 0.00 0.00 -0.27 -3.33 -7.23 -1.26 -5.08 120.40 103.23 1jba s VAL 133 Ca 0.00 -1.93 0.22 0.00 -1.81 0.00 0.00 61.98 58.46 1jba s VAL 133 Cb 0.00 -2.47 0.50 0.00 0.56 0.00 0.00 36.38 34.96 1jba s VAL 133 CO 0.00 0.00 1.16 -0.62 -0.31 0.00 0.00 175.10 175.33 1jba n GLU 134 N -0.34 1.66 -3.16 4.82 -0.58 -1.26 -4.81 120.64 116.98 1jba n GLU 134 Ca 0.02 -3.23 -0.11 0.00 -0.42 0.00 0.00 57.16 53.42 1jba n GLU 134 Cb 0.65 -1.35 -0.04 0.00 -0.57 0.00 0.00 31.44 30.12 1jba n GLU 134 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1jba s VAL 135 N -3.31 -0.55 -2.33 2.62 1.01 -1.26 -4.96 120.40 111.61 1jba s VAL 135 Ca 0.25 -1.08 0.21 0.00 0.00 0.00 0.00 61.98 61.36 1jba s VAL 135 Cb 0.34 -0.43 0.10 0.00 0.00 0.00 0.00 36.38 36.39 1jba s VAL 135 CO -0.05 -0.40 1.10 -1.84 0.00 0.00 0.00 175.10 173.91 1jba n GLU 136 N 3.64 1.74 0.04 2.72 -0.00 -1.26 -4.48 120.64 123.04 1jba n GLU 136 Ca 0.17 -1.44 -0.12 0.00 -0.00 0.00 0.00 57.16 55.76 1jba n GLU 136 Cb 0.51 -1.40 -0.07 0.00 -0.00 0.00 0.00 31.44 30.48 1jba n GLU 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jba h ALA 137 N 3.89 -0.02 -0.37 -1.84 0.00 -1.91 -3.44 119.26 115.57 1jba h ALA 137 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jba h ALA 137 Cb 0.80 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1jba h ALA 137 CO 0.00 -0.50 0.00 0.39 0.00 0.00 0.00 179.25 179.14 1jba n GLU 138 N -5.09 0.00 0.00 0.00 1.02 -1.26 -3.03 120.64 112.29 1jba n GLU 138 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1jba n GLU 138 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 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 0.00 -1.47 3.49 3.00 -1.26 -4.49 117.38 116.65 1jba n GLN 139 Ca 0.00 0.30 -0.49 0.00 -0.01 0.00 0.00 57.00 56.80 1jba n GLN 139 Cb 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 30.24 29.38 1jba n GLN 139 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1jba n GLN 140 N -0.62 0.41 0.15 -1.09 3.00 -1.17 -4.76 117.38 113.31 1jba n GLN 140 Ca 0.00 0.15 0.11 0.00 -0.01 0.00 0.00 57.00 57.25 1jba n GLN 140 Cb 0.00 -1.35 0.54 0.00 0.00 0.00 0.00 30.24 29.43 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 1.79 -0.97 3.83 1.08 0.00 -1.26 -4.78 105.19 104.87 1jba n GLY 141 Ca 0.16 0.16 -0.07 0.00 0.00 0.00 0.00 46.02 46.27 1jba n GLY 141 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jba s LYS 142 N -3.47 1.93 0.62 1.61 -2.85 -1.26 -5.03 119.74 111.30 1jba s LYS 142 Ca -0.00 -1.19 -0.14 0.00 -1.00 0.00 0.00 55.97 53.64 1jba s LYS 142 Cb 0.07 0.58 -0.03 0.00 -2.06 0.00 0.00 37.83 36.39 1jba s LYS 142 CO 0.24 -0.90 1.05 -0.51 0.10 0.00 0.00 175.35 175.33 1jba s LEU 143 N -3.05 3.35 0.24 2.77 1.02 -1.26 -4.93 118.68 116.81 1jba s LEU 143 Ca 0.15 1.67 -0.01 0.00 0.02 0.00 0.00 54.13 55.96 1jba s LEU 143 Cb -0.05 -4.51 -0.03 0.00 0.02 0.00 0.00 46.19 41.62 1jba s LEU 143 CO 0.09 -1.16 0.22 -1.48 0.02 0.00 0.00 176.35 174.04 1jba s LEU 144 N -4.90 1.14 0.15 1.79 0.05 -1.26 -5.12 118.68 110.53 1jba s LEU 144 Ca 0.60 -1.40 -0.31 0.00 0.05 0.00 0.00 54.13 53.07 1jba s LEU 144 Cb -0.14 0.66 -0.09 0.00 -2.05 0.00 0.00 46.19 44.57 1jba s LEU 144 CO 0.45 -0.95 1.39 0.42 -0.55 0.00 0.00 176.35 177.11 1jba s THR 145 N -3.95 3.15 0.65 5.48 -4.23 -1.26 -4.86 115.64 110.62 1jba s THR 145 Ca 0.37 0.87 0.39 0.00 -1.18 0.00 0.00 61.69 62.13 1jba s THR 145 Cb 0.05 -3.56 0.40 0.00 1.34 0.00 0.00 72.50 70.73 1jba s THR 145 CO 0.15 0.09 2.25 -0.65 -0.54 0.00 0.00 174.62 175.92 1jba h PRO 146 N 6.27 0.00 -0.00 3.99 0.10 -2.01 -0.91 132.00 139.43 1jba h PRO 146 Ca -0.43 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 65.65 1jba h PRO 146 Cb 1.21 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 32.31 1jba h PRO 146 CO 0.84 0.00 -0.11 0.93 0.10 0.00 0.00 178.00 179.76 1jba h GLU 147 N 0.00 0.01 0.00 1.05 5.08 -1.98 -1.00 114.58 117.74 1jba h GLU 147 Ca 0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1jba h GLU 147 Cb 0.18 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1jba h GLU 147 CO -0.00 0.11 0.00 -1.91 -1.00 0.00 0.00 179.01 176.21 1jba n GLU 148 N -4.41 0.00 -0.31 2.33 4.07 -0.35 -1.75 120.64 120.22 1jba n GLU 148 Ca -0.03 0.49 0.11 0.00 -0.06 0.00 0.00 57.16 57.68 1jba n GLU 148 Cb 0.18 -1.37 0.34 0.00 -0.06 0.00 0.00 31.44 30.53 1jba n GLU 148 CO 0.00 0.00 0.00 -0.24 -0.06 0.00 0.00 177.13 176.83 1jba h VAL 149 N 0.00 0.82 -0.58 6.31 3.04 -1.70 0.39 116.25 124.53 1jba h VAL 149 Ca 0.00 -0.26 0.11 0.00 -1.01 0.00 0.00 66.70 65.54 1jba h VAL 149 Cb 0.00 -0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 29.23 1jba h VAL 149 CO 0.00 0.14 0.40 0.58 -1.01 0.00 0.00 177.57 177.68 1jba h VAL 150 N 0.77 0.85 0.00 1.51 2.07 -1.17 0.20 116.25 120.48 1jba h VAL 150 Ca 0.49 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.90 1jba h VAL 150 Cb 0.72 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1jba h VAL 150 CO -0.25 0.06 -0.89 0.44 0.02 0.00 0.00 177.57 176.94 1jba h ASP 151 N 0.31 0.00 0.77 0.57 5.19 0.53 -3.20 116.42 120.58 1jba h ASP 151 Ca 0.28 -0.10 -0.22 0.00 -0.62 0.00 0.00 57.03 56.37 1jba h ASP 151 Cb 0.67 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 1jba h ASP 151 CO -0.06 0.05 -1.00 -0.09 -3.12 0.00 0.00 179.24 175.02 1jba h ARG 152 N 0.00 0.12 0.04 3.56 2.43 0.13 -2.85 114.38 117.82 1jba h ARG 152 Ca 0.00 -0.17 -0.25 0.00 -0.81 0.00 0.00 59.98 58.75 1jba h ARG 152 Cb 0.90 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1jba h ARG 152 CO 0.00 1.01 -1.06 0.82 -1.51 0.00 0.00 179.97 179.24 1jba h ILE 153 N 0.05 1.38 -0.46 1.20 2.04 -1.12 -2.56 117.51 118.04 1jba h ILE 153 Ca -0.05 -2.54 -0.05 0.00 1.00 0.00 0.00 64.86 63.23 1jba h ILE 153 Cb 1.70 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 40.31 1jba h ILE 153 CO 0.15 0.76 0.11 0.15 0.00 0.00 0.00 178.15 179.31 1jba h PHE 154 N 0.23 0.78 -0.12 1.37 3.57 -1.58 -2.84 116.94 118.34 1jba h PHE 154 Ca -0.11 -0.09 -0.21 0.00 3.53 0.00 0.00 57.97 61.08 1jba h PHE 154 Cb 1.72 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 40.24 1jba h PHE 154 CO 0.07 0.71 -0.78 1.25 -2.23 0.00 0.00 178.31 177.34 1jba h LEU 155 N 0.61 0.80 -0.04 0.59 5.85 -1.58 -2.27 115.31 119.28 1jba h LEU 155 Ca 0.14 -0.53 0.02 0.00 0.84 0.00 0.00 57.88 58.36 1jba h LEU 155 Cb 0.33 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1jba h LEU 155 CO 0.00 1.31 -0.11 -0.07 -0.34 0.00 0.00 178.44 179.23 1jba h LEU 156 N 0.45 -0.33 -0.95 2.25 3.38 -1.40 -1.93 115.31 116.77 1jba h LEU 156 Ca -0.05 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jba h LEU 156 Cb 1.39 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 1jba h LEU 156 CO 0.15 -0.16 -0.01 -0.37 0.09 0.00 0.00 178.44 178.14 1jba h VAL 157 N -0.17 0.02 -2.91 1.22 -1.51 -1.58 -3.45 116.25 107.87 1jba h VAL 157 Ca 0.05 -0.71 -0.39 0.00 -1.23 0.00 0.00 66.70 64.42 1jba h VAL 157 Cb 0.25 1.69 0.22 0.00 -2.13 0.00 0.00 31.29 31.31 1jba h VAL 157 CO -0.14 0.01 -0.19 -0.67 -1.23 0.00 0.00 177.57 175.35 1jba n ASP 158 N -3.10 -2.96 0.11 4.19 2.03 -0.73 -4.37 116.55 111.72 1jba n ASP 158 Ca 0.02 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.83 1jba n ASP 158 Cb 0.39 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 1jba n ASP 158 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1jba n GLU 159 N -4.96 0.00 0.19 -0.67 2.13 -1.26 -4.91 120.64 111.15 1jba n GLU 159 Ca 0.07 0.00 0.12 0.00 0.66 0.00 0.00 57.16 58.01 1jba n GLU 159 Cb 0.56 0.00 0.38 0.00 0.27 0.00 0.00 31.44 32.65 1jba n GLU 159 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1jba h ASN 160 N 0.00 0.00 -3.82 4.31 4.21 -1.95 -3.44 115.58 114.89 1jba h ASN 160 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1jba h ASN 160 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1jba h ASN 160 CO 0.00 0.00 -0.05 0.61 -1.29 0.00 0.00 177.43 176.70 1jba n GLY 161 N -1.48 -0.70 1.40 2.83 0.00 -1.26 -5.02 105.19 100.95 1jba n GLY 161 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1jba n GLY 161 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jba n ASP 162 N -1.04 0.00 0.00 1.61 5.68 -1.26 -5.06 116.55 116.47 1jba n ASP 162 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1jba n ASP 162 Cb 0.41 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1jba n ASP 162 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jba n GLY 163 N 0.66 -0.39 3.30 6.12 0.00 -1.26 -5.14 105.19 108.48 1jba n GLY 163 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1jba n GLY 163 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jba s GLN 164 N 0.00 2.69 -0.39 1.61 2.00 -1.26 -4.97 119.66 119.34 1jba s GLN 164 Ca 0.00 -0.85 -0.13 0.00 -2.00 0.00 0.00 55.36 52.37 1jba s GLN 164 Cb 0.00 -2.26 0.02 0.00 0.80 0.00 0.00 33.01 31.57 1jba s GLN 164 CO 0.00 0.38 0.26 -1.17 -0.50 0.00 0.00 175.29 174.26 1jba s LEU 165 N -0.13 4.88 0.53 3.68 2.96 -1.10 -4.97 118.68 124.53 1jba s LEU 165 Ca -0.04 -0.83 0.09 0.00 -0.22 0.00 0.00 54.13 53.13 1jba s LEU 165 Cb -0.14 -2.12 0.06 0.00 0.50 0.00 0.00 46.19 44.49 1jba s LEU 165 CO 0.04 -0.39 0.68 -0.94 -1.32 0.00 0.00 176.35 174.42 1jba s SER 166 N 1.65 5.18 0.02 3.68 1.04 -1.26 0.59 113.70 124.60 1jba s SER 166 Ca 0.04 -0.78 -0.23 0.00 0.48 0.00 0.00 55.95 55.46 1jba s SER 166 Cb -0.19 0.05 -0.13 0.00 0.10 0.00 0.00 66.02 65.86 1jba s SER 166 CO 0.09 -1.15 1.10 0.25 0.98 0.00 0.00 173.24 174.51 1jba h LEU 167 N 0.38 -0.70 -0.91 2.42 5.85 -1.99 -0.02 115.31 120.34 1jba h LEU 167 Ca -0.33 0.02 0.26 0.00 0.84 0.00 0.00 57.88 58.67 1jba h LEU 167 Cb 1.29 0.18 -0.15 0.00 0.37 0.00 0.00 40.66 42.35 1jba h LEU 167 CO 0.44 -0.40 0.22 -1.13 -0.34 0.00 0.00 178.44 177.23 1jba h ASN 168 N -1.02 -0.06 -0.38 1.25 -0.00 -1.97 1.02 115.58 114.43 1jba h ASN 168 Ca -0.08 0.22 -0.08 0.00 -0.00 0.00 0.00 56.30 56.36 1jba h ASN 168 Cb 0.63 0.31 -0.02 0.00 -0.00 0.00 0.00 38.32 39.24 1jba h ASN 168 CO 0.14 -0.22 -0.02 -0.08 -0.00 0.00 0.00 177.43 177.25 1jba h GLU 169 N 0.16 0.78 0.55 6.67 4.81 -1.90 -2.18 114.58 123.46 1jba h GLU 169 Ca 0.59 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.58 1jba h GLU 169 Cb 1.23 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1jba h GLU 169 CO -0.71 0.80 -0.43 0.35 -0.73 0.00 0.00 179.01 178.29 1jba h PHE 170 N 0.73 -1.18 -0.08 0.92 3.04 0.31 -2.15 116.94 118.53 1jba h PHE 170 Ca 0.14 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.07 1jba h PHE 170 Cb 0.47 0.44 -0.01 0.00 2.56 0.00 0.00 35.95 39.42 1jba h PHE 170 CO 0.02 -0.62 -0.06 -0.39 -2.02 0.00 0.00 178.31 175.25 1jba h VAL 171 N -0.96 1.09 -0.02 1.41 -1.51 -1.35 1.15 116.25 116.06 1jba h VAL 171 Ca -0.06 -0.39 -0.04 0.00 -1.23 0.00 0.00 66.70 64.98 1jba h VAL 171 Cb 0.82 1.10 -0.01 0.00 -2.13 0.00 0.00 31.29 31.07 1jba h VAL 171 CO 0.00 0.12 -0.16 -0.08 -1.23 0.00 0.00 177.57 176.22 1jba h GLU 172 N 0.11 0.03 0.00 5.19 4.57 -0.88 0.74 114.58 124.34 1jba h GLU 172 Ca 0.03 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1jba h GLU 172 Cb 0.18 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1jba h GLU 172 CO 0.01 0.19 -1.58 0.41 -1.18 0.00 0.00 179.01 176.86 1jba n GLY 173 N -1.04 -0.56 0.13 1.92 0.00 -0.67 -4.25 105.19 100.73 1jba n GLY 173 Ca -0.02 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 1.05 0.58 0.00 4.61 0.00 0.14 -2.86 119.26 122.78 1jba h ALA 174 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1jba h ALA 174 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1jba h ALA 174 CO 0.00 0.00 -0.92 -0.09 0.00 0.00 0.00 179.25 178.24 1jba h ARG 175 N 0.00 0.00 0.01 0.00 2.43 -1.02 -3.38 114.38 112.43 1jba h ARG 175 Ca 0.00 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 1jba h ARG 175 Cb 0.99 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 1jba h ARG 175 CO 0.00 0.13 -1.35 0.54 -1.51 0.00 0.00 179.97 177.78 1jba n ARG 176 N -2.85 0.58 -2.81 0.20 5.12 -1.25 -4.93 116.66 110.72 1jba n ARG 176 Ca -0.02 0.55 -0.29 0.00 -1.93 0.00 0.00 57.85 56.16 1jba n ARG 176 Cb 0.64 -1.74 -0.02 0.00 -1.16 0.00 0.00 32.46 30.19 1jba n ARG 176 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1jba s ASP 177 N -6.89 6.39 0.00 0.55 2.15 -1.08 -4.99 116.67 112.80 1jba s ASP 177 Ca -0.29 0.99 0.00 0.00 0.43 0.00 0.00 52.55 53.68 1jba s ASP 177 Cb 0.06 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 1jba s ASP 177 CO 0.60 -0.46 0.56 0.29 -0.17 0.00 0.00 175.17 176.00 1jba n LYS 178 N -1.71 0.07 0.03 4.34 4.76 -1.26 -4.69 118.16 119.70 1jba n LYS 178 Ca 0.01 -0.68 -0.19 0.00 -2.87 0.00 0.00 58.31 54.58 1jba n LYS 178 Cb 0.54 -0.93 -0.14 0.00 -1.84 0.00 0.00 35.03 32.67 1jba n LYS 178 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 1jba h TRP 179 N 0.00 0.47 -0.51 2.13 7.01 -1.95 -3.36 115.95 119.74 1jba h TRP 179 Ca 0.00 -0.34 -0.02 0.00 2.11 0.00 0.00 58.89 60.63 1jba h TRP 179 Cb 0.21 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 1jba h TRP 179 CO 0.00 1.59 0.22 -0.39 -2.79 0.00 0.00 178.44 177.07 1jba h VAL 180 N 0.07 1.21 -0.53 2.65 -1.51 -1.93 -2.80 116.25 113.41 1jba h VAL 180 Ca -0.36 -0.62 0.09 0.00 -1.23 0.00 0.00 66.70 64.59 1jba h VAL 180 Cb 2.05 0.66 -0.10 0.00 -2.13 0.00 0.00 31.29 31.76 1jba h VAL 180 CO 0.12 0.24 -0.38 -0.03 -1.23 0.00 0.00 177.57 176.29 1jba h MET 181 N 0.68 -0.22 0.43 5.19 1.85 -1.84 1.99 114.93 123.01 1jba h MET 181 Ca 0.17 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.26 1jba h MET 181 Cb 0.16 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.23 1jba h MET 181 CO -0.02 -0.15 -0.36 0.87 -0.40 0.00 0.00 176.91 176.85 1jba h LYS 182 N -0.23 -0.74 -0.87 0.39 1.57 -1.67 -1.23 116.57 113.79 1jba h LYS 182 Ca 0.19 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.15 1jba h LYS 182 Cb 0.56 0.17 -0.07 0.00 0.08 0.00 0.00 32.23 32.97 1jba h LYS 182 CO -0.64 -0.50 0.56 1.98 -0.57 0.00 0.00 179.45 180.28 1jba h MET 183 N -0.77 0.70 0.00 3.15 4.05 -1.15 0.56 114.93 121.46 1jba h MET 183 Ca -0.06 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1jba h MET 183 Cb 0.65 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1jba h MET 183 CO -0.01 0.46 0.00 1.28 0.23 0.00 0.00 176.91 178.87 1jba n LEU 184 N -4.55 0.16 0.06 3.39 4.77 0.67 -4.42 117.00 117.08 1jba n LEU 184 Ca 0.16 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.21 1jba n LEU 184 Cb 0.42 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.42 1jba n LEU 184 CO 0.30 0.00 0.56 -0.61 -1.33 0.00 0.00 177.39 176.31 1jba h GLN 185 N 0.00 -0.17 -3.31 3.23 -0.00 -1.29 -3.46 115.11 110.10 1jba h GLN 185 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1jba h GLN 185 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.51 1jba h GLN 185 CO 0.00 0.24 -0.48 -0.12 0.00 0.00 0.00 178.83 178.46 1jba n MET 186 N -4.96 -2.23 0.00 1.69 0.00 0.20 -5.03 117.12 106.79 1jba n MET 186 Ca -0.09 1.91 0.00 0.00 -0.00 0.00 0.00 57.70 59.52 1jba n MET 186 Cb 0.25 -2.43 0.00 0.00 0.00 0.00 0.00 33.22 31.04 1jba n MET 186 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1jba n ASP 187 N 0.79 -0.03 0.00 6.12 2.03 -1.26 -5.08 116.55 119.11 1jba n ASP 187 Ca -0.04 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1jba n ASP 187 Cb 0.06 0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 1jba n ASP 187 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1jba n LEU 188 N -2.52 0.00 -0.09 -2.67 7.94 -1.26 -5.03 117.00 113.37 1jba n LEU 188 Ca 0.00 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.72 1jba n LEU 188 Cb 0.00 0.31 -0.07 0.00 0.53 0.00 0.00 43.42 44.19 1jba n LEU 188 CO 0.00 -0.31 -1.12 -3.20 -1.11 0.00 0.00 177.39 171.65 1jba n ASN 189 N -2.04 1.53 0.00 1.96 2.85 -1.26 -5.12 115.26 113.18 1jba n ASN 189 Ca 0.00 0.17 0.05 0.00 -0.11 0.00 0.00 54.58 54.69 1jba n ASN 189 Cb 0.00 -0.50 0.28 0.00 1.24 0.00 0.00 39.78 40.80 1jba n ASN 189 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50