#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 0.93 0.00 1.61 1.13 -1.26 -3.81 117.38 115.98 1jba n GLN 3 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1jba n GLN 3 Cb 0.00 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.16 1jba n GLN 3 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1jba n GLN 4 N -0.28 0.70 -2.35 -1.09 6.02 -1.26 -4.65 117.38 114.47 1jba n GLN 4 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 1jba n GLN 4 Cb 0.09 -1.10 0.09 0.00 1.02 0.00 0.00 30.24 30.35 1jba n GLN 4 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1jba s PHE 5 N -1.71 2.31 0.30 1.08 0.40 -1.25 -4.90 117.98 114.20 1jba s PHE 5 Ca 0.00 0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.46 1jba s PHE 5 Cb 0.00 -3.19 0.00 0.00 0.51 0.00 0.00 43.02 40.34 1jba s PHE 5 CO 0.00 -1.59 0.00 0.43 0.70 0.00 0.00 175.22 174.76 1jba n SER 6 N -2.92 -7.11 -0.37 1.36 7.64 -1.26 -4.04 113.62 106.92 1jba n SER 6 Ca 0.11 0.53 0.14 0.00 1.01 0.00 0.00 58.87 60.66 1jba n SER 6 Cb 0.60 -3.77 0.61 0.00 -1.01 0.00 0.00 64.21 60.64 1jba n SER 6 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1jba n TRP 7 N -3.64 0.00 -0.28 1.43 8.01 -1.26 -4.34 117.44 117.35 1jba n TRP 7 Ca 0.00 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 56.07 1jba n TRP 7 Cb 0.64 -0.01 -0.10 0.00 -2.01 0.00 0.00 31.31 29.83 1jba n TRP 7 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.69 178.17 1jba h GLU 8 N 1.80 -0.18 -0.17 -0.99 4.81 -1.92 0.15 114.58 118.06 1jba h GLU 8 Ca 0.00 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1jba h GLU 8 Cb 0.40 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1jba h GLU 8 CO 0.00 -0.12 -0.06 0.93 -0.73 0.00 0.00 179.01 179.03 1jba h GLU 9 N -0.19 0.34 -0.90 1.92 4.39 -1.77 -0.97 114.58 117.38 1jba h GLU 9 Ca 0.12 -0.14 0.25 0.00 0.34 0.00 0.00 59.36 59.93 1jba h GLU 9 Cb 0.50 -0.02 -0.15 0.00 -0.10 0.00 0.00 28.75 28.98 1jba h GLU 9 CO -0.77 0.62 0.23 0.00 -1.16 0.00 0.00 179.01 177.93 1jba h ALA 10 N 0.71 1.33 0.08 3.43 0.00 -1.51 1.39 119.26 124.69 1jba h ALA 10 Ca 0.04 0.24 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 1jba h ALA 10 Cb 0.51 0.36 0.02 0.00 0.00 0.00 0.00 17.79 18.68 1jba h ALA 10 CO 0.02 -0.52 -0.80 1.49 0.00 0.00 0.00 179.25 179.44 1jba h GLU 11 N 0.16 0.40 -0.92 0.00 4.22 -0.65 -3.20 114.58 114.60 1jba h GLU 11 Ca 0.58 -0.54 -0.08 0.00 0.08 0.00 0.00 59.36 59.40 1jba h GLU 11 Cb 1.21 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.59 1jba h GLU 11 CO -0.70 1.21 0.10 -1.91 -2.18 0.00 0.00 179.01 175.52 1jba n GLU 12 N -4.11 1.99 -1.74 1.92 2.13 0.18 -4.93 120.64 116.08 1jba n GLU 12 Ca -0.12 -1.09 -0.40 0.00 0.66 0.00 0.00 57.16 56.20 1jba n GLU 12 Cb 0.79 -1.62 0.01 0.00 0.27 0.00 0.00 31.44 30.89 1jba n GLU 12 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1jba n ASN 13 N 0.09 3.05 0.00 4.31 6.94 0.45 -4.89 115.26 125.22 1jba n ASN 13 Ca 0.15 1.13 0.00 0.00 -0.02 0.00 0.00 54.58 55.83 1jba n ASN 13 Cb 0.73 -1.56 0.00 0.00 -2.36 0.00 0.00 39.78 36.59 1jba n ASN 13 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jba n GLY 14 N 0.66 0.00 1.52 4.83 0.00 -1.26 -4.86 105.19 106.09 1jba n GLY 14 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.45 2.60 -3.44 4.61 0.00 -1.26 -5.08 120.51 117.50 1jba n ALA 15 Ca 0.00 -2.10 -0.13 0.00 0.00 0.00 0.00 53.44 51.21 1jba n ALA 15 Cb 0.01 -0.69 -0.13 0.00 0.00 0.00 0.00 19.45 18.64 1jba n ALA 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jba s VAL 16 N -0.23 -0.02 0.00 0.00 0.11 -1.26 -5.10 120.40 113.90 1jba s VAL 16 Ca 0.28 0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.42 1jba s VAL 16 Cb 0.33 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.88 1jba s VAL 16 CO -0.14 0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.28 1jba n GLY 17 N 3.67 0.16 0.00 6.54 0.00 -1.26 -4.90 105.19 109.39 1jba n GLY 17 Ca -0.20 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1jba n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 18 N 0.00 0.00 0.00 4.61 0.00 -1.26 -5.00 120.51 118.86 1jba n ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jba n ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -1.00 0.00 0.00 -1.26 -4.96 120.51 113.29 1jba n ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jba n ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.57 0.00 -0.30 0.00 2.03 -1.26 -1.99 116.55 114.47 1jba n ASP 20 Ca 0.00 0.01 0.26 0.00 0.52 0.00 0.00 54.79 55.58 1jba n ASP 20 Cb 0.00 0.00 0.48 0.00 -0.72 0.00 0.00 41.12 40.88 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 -2.94 0.83 -0.30 -1.67 0.00 -1.26 0.18 120.51 115.35 1jba n ALA 21 Ca 0.00 0.94 0.10 0.00 0.00 0.00 0.00 53.44 54.49 1jba n ALA 21 Cb 0.00 -0.88 0.27 0.00 0.00 0.00 0.00 19.45 18.83 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 1.83 1.35 -0.20 0.00 0.00 -1.93 0.24 119.26 120.56 1jba h ALA 22 Ca 0.73 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 55.61 1jba h ALA 22 Cb 1.85 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 1jba h ALA 22 CO -0.74 -0.22 -0.52 1.96 0.00 0.00 0.00 179.25 179.73 1jba h GLN 23 N 0.50 0.56 -0.77 0.00 1.08 0.26 -2.75 115.11 113.99 1jba h GLN 23 Ca 0.51 -0.34 -0.05 0.00 -1.45 0.00 0.00 58.65 57.32 1jba h GLN 23 Cb 0.86 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.29 1jba h GLN 23 CO -0.45 0.94 0.28 -0.07 -0.95 0.00 0.00 178.83 178.59 1jba h LEU 24 N 0.44 1.08 -0.23 1.46 -0.00 -0.29 -1.70 115.31 116.07 1jba h LEU 24 Ca 0.01 -0.18 -0.02 0.00 -0.00 0.00 0.00 57.88 57.69 1jba h LEU 24 Cb 1.06 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.43 1jba h LEU 24 CO 0.10 0.98 0.06 -0.61 -0.00 0.00 0.00 178.44 178.96 1jba h GLN 25 N 1.13 0.36 -0.32 1.13 5.75 -0.83 -0.50 115.11 121.83 1jba h GLN 25 Ca 0.25 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1jba h GLN 25 Cb 0.25 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1jba h GLN 25 CO -0.02 0.47 0.18 0.93 -2.65 0.00 0.00 178.83 177.75 1jba h GLU 26 N 0.19 0.43 0.00 1.69 4.39 -1.29 0.08 114.58 120.08 1jba h GLU 26 Ca 0.07 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 1jba h GLU 26 Cb 0.27 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1jba h GLU 26 CO 0.00 0.31 -0.70 -1.49 -1.16 0.00 0.00 179.01 175.98 1jba h TRP 27 N 0.44 0.00 0.09 4.33 4.06 -0.97 -1.88 115.95 122.02 1jba h TRP 27 Ca 0.12 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.93 1jba h TRP 27 Cb -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.17 1jba h TRP 27 CO 0.00 0.70 -0.59 -0.92 -3.56 0.00 0.00 178.44 174.07 1jba h TYR 28 N 0.00 0.43 -0.07 0.49 3.20 -0.04 -2.39 116.97 118.59 1jba h TYR 28 Ca -0.01 -0.29 -0.18 0.00 3.14 0.00 0.00 58.73 61.39 1jba h TYR 28 Cb 1.40 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.64 1jba h TYR 28 CO 0.00 1.20 -0.71 1.57 -1.64 0.00 0.00 178.16 178.58 1jba h LYS 29 N -0.46 0.34 -0.03 1.82 2.10 -1.12 -2.03 116.57 117.19 1jba h LYS 29 Ca -0.10 -0.28 -0.16 0.00 -2.00 0.00 0.00 60.65 58.12 1jba h LYS 29 Cb 1.43 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.80 1jba h LYS 29 CO 0.11 0.92 -0.69 -0.22 -2.00 0.00 0.00 179.45 177.57 1jba h LYS 30 N 0.23 0.17 0.00 0.07 3.64 -1.45 -1.60 116.57 117.64 1jba h LYS 30 Ca -0.03 -0.13 -0.19 0.00 -1.27 0.00 0.00 60.65 59.03 1jba h LYS 30 Cb 1.27 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 1jba h LYS 30 CO 0.12 0.79 -0.92 0.35 -2.27 0.00 0.00 179.45 177.51 1jba h PHE 31 N 0.11 0.00 -0.00 1.91 3.57 -1.39 -3.25 116.94 117.90 1jba h PHE 31 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1jba h PHE 31 Cb 1.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1jba h PHE 31 CO 0.02 0.92 -0.50 1.28 -2.23 0.00 0.00 178.31 177.80 1jba n LEU 32 N -3.36 0.62 0.00 0.59 4.77 -0.77 -3.73 117.00 115.12 1jba n LEU 32 Ca 0.00 -0.07 0.13 0.00 -0.03 0.00 0.00 56.01 56.04 1jba n LEU 32 Cb 0.90 -0.21 0.63 0.00 -2.33 0.00 0.00 43.42 42.41 1jba n LEU 32 CO 0.46 0.14 0.95 1.21 -1.33 0.00 0.00 177.39 178.82 1jba n GLU 33 N -1.37 0.19 0.00 3.23 2.13 -0.61 -2.91 120.64 121.30 1jba n GLU 33 Ca 0.06 0.03 0.03 0.00 0.66 0.00 0.00 57.16 57.95 1jba n GLU 33 Cb 0.34 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.55 1jba n GLU 33 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1jba n GLU 34 N -1.40 2.18 -3.56 5.31 2.13 -1.24 -4.99 120.64 119.07 1jba n GLU 34 Ca 0.10 -0.52 -0.01 0.00 0.66 0.00 0.00 57.16 57.39 1jba n GLU 34 Cb 0.27 -0.99 -0.05 0.00 0.27 0.00 0.00 31.44 30.93 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jba n PRO 36 N 4.38 -3.78 0.00 0.00 -0.04 -1.26 -3.69 135.00 130.60 1jba n PRO 36 Ca -0.15 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1jba n PRO 36 Cb 0.55 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1jba n PRO 36 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jba n SER 37 N -4.93 0.00 -0.16 3.54 2.88 -1.26 -4.16 113.62 109.53 1jba n SER 37 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1jba n SER 37 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1jba n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jba n GLY 38 N 0.00 0.58 3.18 0.46 0.00 -1.24 -5.07 105.19 103.09 1jba n GLY 38 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.47 0.16 0.01 2.61 -4.23 -1.26 -3.90 115.64 107.56 1jba s THR 39 Ca 0.00 -1.31 -0.08 0.00 -1.18 0.00 0.00 61.69 59.13 1jba s THR 39 Cb 0.00 -1.38 0.00 0.00 1.34 0.00 0.00 72.50 72.47 1jba s THR 39 CO 0.00 -0.72 0.14 -1.48 -0.54 0.00 0.00 174.62 172.02 1jba s LEU 40 N -2.87 1.54 0.26 4.79 0.05 -1.04 -5.03 118.68 116.37 1jba s LEU 40 Ca 0.05 -0.26 0.06 0.00 0.05 0.00 0.00 54.13 54.03 1jba s LEU 40 Cb 0.05 0.72 -0.03 0.00 -2.05 0.00 0.00 46.19 44.88 1jba s LEU 40 CO -0.11 -0.41 0.33 -0.36 -0.55 0.00 0.00 176.35 175.25 1jba s PHE 41 N -1.67 3.32 0.45 3.48 0.40 -1.26 -1.65 117.98 121.05 1jba s PHE 41 Ca -0.13 -0.07 0.33 0.00 -0.60 0.00 0.00 56.93 56.46 1jba s PHE 41 Cb -0.06 -1.59 1.48 0.00 0.51 0.00 0.00 43.02 43.36 1jba s PHE 41 CO 0.00 0.40 1.60 0.00 0.70 0.00 0.00 175.22 177.92 1jba h MET 42 N 1.21 0.04 0.42 0.44 -0.00 -1.98 0.17 114.93 115.23 1jba h MET 42 Ca -0.50 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.17 1jba h MET 42 Cb 1.24 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.83 1jba h MET 42 CO 0.60 0.03 -0.20 1.25 -0.00 0.00 0.00 176.91 178.59 1jba h HIS 43 N 0.04 -0.52 0.00 -0.10 6.17 -1.95 -1.78 115.15 117.02 1jba h HIS 43 Ca 0.86 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.92 1jba h HIS 43 Cb 2.78 0.17 0.00 0.00 2.52 0.00 0.00 27.41 32.88 1jba h HIS 43 CO -0.01 -0.21 0.04 1.49 0.71 0.00 0.00 177.93 179.96 1jba h GLU 44 N -1.00 0.00 0.00 5.26 4.57 -1.14 -2.02 114.58 120.25 1jba h GLU 44 Ca -0.06 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 1jba h GLU 44 Cb 0.55 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1jba h GLU 44 CO 0.09 0.00 -0.40 0.35 -1.18 0.00 0.00 179.01 177.87 1jba h PHE 45 N 0.00 0.01 0.00 0.92 3.04 -0.78 -2.88 116.94 117.26 1jba h PHE 45 Ca 0.00 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1jba h PHE 45 Cb 0.09 -0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.60 1jba h PHE 45 CO 0.00 1.16 -0.01 1.57 -2.02 0.00 0.00 178.31 179.00 1jba h LYS 46 N -0.98 0.00 0.02 1.11 5.09 -0.64 0.65 116.57 121.82 1jba h LYS 46 Ca -0.11 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.59 1jba h LYS 46 Cb 1.11 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.44 1jba h LYS 46 CO -0.06 0.01 -0.17 -0.09 -2.09 0.00 0.00 179.45 177.06 1jba h ARG 47 N 0.00 0.05 0.00 0.07 1.12 -1.49 -2.53 114.38 111.60 1jba h ARG 47 Ca -0.00 -0.09 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1jba h ARG 47 Cb 0.14 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.13 1jba h ARG 47 CO 0.00 1.04 -0.39 1.19 -3.11 0.00 0.00 179.97 178.70 1jba n PHE 48 N -4.52 0.02 -0.06 2.20 3.01 -1.05 -1.34 117.46 115.72 1jba n PHE 48 Ca -0.11 0.01 -0.22 0.00 1.01 0.00 0.00 57.45 58.14 1jba n PHE 48 Cb 0.54 -0.32 -0.13 0.00 -0.01 0.00 0.00 39.48 39.56 1jba n PHE 48 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1jba n PHE 49 N -1.52 0.80 -0.06 1.38 -0.00 0.22 -4.55 117.46 113.74 1jba n PHE 49 Ca 0.06 0.22 -0.00 0.00 -0.00 0.00 0.00 57.45 57.72 1jba n PHE 49 Cb 0.34 -1.10 -0.16 0.00 -0.00 0.00 0.00 39.48 38.56 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 -3.74 0.73 -1.20 -4.13 4.76 -0.96 -5.04 118.16 108.57 1jba n LYS 50 Ca -0.38 -0.09 0.04 0.00 -2.87 0.00 0.00 58.31 55.01 1jba n LYS 50 Cb 0.93 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.60 1jba n LYS 50 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1jba n VAL 51 N -2.50 -1.83 -1.69 -0.18 3.14 -0.45 -4.70 118.33 110.12 1jba n VAL 51 Ca -0.19 1.03 -0.54 0.00 -2.96 0.00 0.00 64.34 61.68 1jba n VAL 51 Cb 0.87 -1.68 -0.06 0.00 -1.06 0.00 0.00 33.84 31.91 1jba n VAL 51 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1jba n PRO 52 N -2.81 1.46 0.00 1.45 -0.02 -1.26 -4.61 135.00 129.20 1jba n PRO 52 Ca -0.02 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1jba n PRO 52 Cb 0.43 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1jba n PRO 52 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1jba n ASP 53 N 5.28 0.00 -3.52 2.55 8.00 -1.26 -5.13 116.55 122.47 1jba n ASP 53 Ca 0.24 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1jba n ASP 53 Cb 0.18 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 1jba n ASP 53 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1jba s ASN 54 N -0.97 -0.40 -0.01 -2.24 3.84 -1.26 -5.04 114.94 108.85 1jba s ASN 54 Ca 0.00 0.60 -0.23 0.00 0.21 0.00 0.00 52.86 53.44 1jba s ASN 54 Cb 0.00 1.30 -0.15 0.00 -0.55 0.00 0.00 41.25 41.85 1jba s ASN 54 CO 0.00 -0.09 1.07 -0.08 -2.79 0.00 0.00 177.10 175.21 1jba h GLU 55 N 6.46 -0.47 -1.12 0.43 4.81 -2.00 -2.86 114.58 119.84 1jba h GLU 55 Ca -0.22 0.03 0.32 0.00 -0.13 0.00 0.00 59.36 59.36 1jba h GLU 55 Cb 1.15 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 1jba h GLU 55 CO 0.15 -0.15 1.00 0.93 -0.73 0.00 0.00 179.01 180.21 1jba h GLU 56 N -0.90 0.00 -1.19 1.92 5.08 -1.98 0.65 114.58 118.16 1jba h GLU 56 Ca -0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1jba h GLU 56 Cb 0.53 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1jba h GLU 56 CO 0.08 0.00 0.07 0.00 -1.00 0.00 0.00 179.01 178.16 1jba n ALA 57 N -2.53 3.09 -0.11 3.43 0.00 -1.08 -3.60 120.51 119.71 1jba n ALA 57 Ca 0.24 -0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 1jba n ALA 57 Cb 1.35 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 19.61 1jba n ALA 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jba n THR 58 N 0.54 1.46 -0.12 0.00 -1.04 0.23 -4.24 114.28 111.11 1jba n THR 58 Ca 0.06 -0.73 -0.05 0.00 -2.04 0.00 0.00 64.05 61.29 1jba n THR 58 Cb 0.59 -0.95 0.03 0.00 -1.82 0.00 0.00 70.33 68.19 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 0.23 0.37 -2.82 4.20 -1.78 -0.91 115.11 114.40 1jba h GLN 59 Ca -0.55 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.14 1jba h GLN 59 Cb 2.08 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.79 1jba h GLN 59 CO -0.02 0.15 -0.35 -0.92 -0.67 0.00 0.00 178.83 177.03 1jba h TYR 60 N 0.24 -0.97 -0.74 2.96 3.20 -1.83 -2.47 116.97 117.36 1jba h TYR 60 Ca 0.19 0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.24 1jba h TYR 60 Cb 0.22 0.37 -0.12 0.00 1.54 0.00 0.00 36.73 38.74 1jba h TYR 60 CO -0.18 -0.47 0.09 0.28 -1.64 0.00 0.00 178.16 176.24 1jba h VAL 61 N -0.71 0.42 -0.94 1.81 2.07 -1.70 0.53 116.25 117.73 1jba h VAL 61 Ca -0.05 -0.06 0.26 0.00 0.82 0.00 0.00 66.70 67.67 1jba h VAL 61 Cb 0.61 0.23 -0.14 0.00 -1.52 0.00 0.00 31.29 30.47 1jba h VAL 61 CO -0.03 0.03 0.44 -0.08 0.02 0.00 0.00 177.57 177.95 1jba h GLU 62 N 0.17 0.35 -0.45 1.57 4.22 -0.73 1.23 114.58 120.93 1jba h GLU 62 Ca 0.42 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.80 1jba h GLU 62 Cb 0.74 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1jba h GLU 62 CO -0.59 0.23 0.12 0.00 -2.18 0.00 0.00 179.01 176.60 1jba h ALA 63 N 1.78 1.37 -0.08 2.92 0.00 0.50 -1.43 119.26 124.31 1jba h ALA 63 Ca 0.63 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 1jba h ALA 63 Cb 1.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1jba h ALA 63 CO -0.58 0.46 -0.12 0.52 0.00 0.00 0.00 179.25 179.53 1jba h MET 64 N 0.66 0.12 0.00 0.00 2.86 0.19 -1.39 114.93 117.37 1jba h MET 64 Ca 0.15 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1jba h MET 64 Cb 0.22 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1jba h MET 64 CO -0.01 0.25 -0.27 0.35 1.06 0.00 0.00 176.91 178.30 1jba h PHE 65 N 0.12 0.00 0.12 -0.22 3.04 -0.48 -3.12 116.94 116.40 1jba h PHE 65 Ca 0.03 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1jba h PHE 65 Cb 0.29 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.80 1jba h PHE 65 CO 0.00 0.24 -0.06 -0.09 -2.02 0.00 0.00 178.31 176.39 1jba h ARG 66 N 0.00 -0.16 -0.58 1.11 9.65 -0.62 -2.46 114.38 121.33 1jba h ARG 66 Ca -0.00 0.01 0.12 0.00 -1.10 0.00 0.00 59.98 59.01 1jba h ARG 66 Cb 1.19 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.77 1jba h ARG 66 CO 0.03 -0.11 0.40 0.00 2.80 0.00 0.00 179.97 183.09 1jba h ALA 67 N -1.12 2.18 0.00 2.80 0.00 -1.55 -0.31 119.26 121.26 1jba h ALA 67 Ca -0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1jba h ALA 67 Cb 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1jba h ALA 67 CO 0.03 -0.33 -0.65 0.35 0.00 0.00 0.00 179.25 178.65 1jba h PHE 68 N 0.27 0.00 -3.30 0.00 3.04 -1.66 -3.44 116.94 111.85 1jba h PHE 68 Ca 0.27 0.00 -0.57 0.00 3.98 0.00 0.00 57.97 61.65 1jba h PHE 68 Cb 0.72 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.17 1jba h PHE 68 CO -0.00 0.65 -0.03 0.34 -2.02 0.00 0.00 178.31 177.25 1jba s ASP 69 N -6.54 6.95 0.00 0.41 2.15 -0.13 -4.91 116.67 114.60 1jba s ASP 69 Ca 0.03 1.13 0.00 0.00 0.43 0.00 0.00 52.55 54.14 1jba s ASP 69 Cb 0.08 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 1jba s ASP 69 CO 0.77 0.10 0.00 0.35 -0.17 0.00 0.00 175.17 176.22 1jba n THR 70 N 2.77 0.00 0.20 1.71 -2.24 -1.26 -4.73 114.28 110.73 1jba n THR 70 Ca -0.07 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.74 1jba n THR 70 Cb 0.51 -0.37 0.13 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.06 0.00 0.00 3.42 4.13 -1.26 -4.78 115.26 115.72 1jba n ASN 71 Ca 0.00 0.49 0.00 0.00 1.68 0.00 0.00 54.58 56.75 1jba n ASN 71 Cb 0.19 -0.50 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 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 -0.89 0.78 0.30 7.41 0.00 -1.26 -4.77 105.19 106.76 1jba n GLY 72 Ca 0.01 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.23 1jba n GLY 72 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1jba h ASP 73 N 0.00 0.00 -1.65 1.61 3.04 -1.98 -3.45 116.42 113.99 1jba h ASP 73 Ca 0.00 0.00 -0.27 0.00 -3.24 0.00 0.00 57.03 53.52 1jba h ASP 73 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.26 1jba h ASP 73 CO 0.00 0.00 -0.33 0.59 -2.04 0.00 0.00 179.24 177.46 1jba n ASN 74 N -2.94 -4.29 -3.75 4.15 4.13 -1.26 -4.99 115.26 106.30 1jba n ASN 74 Ca -0.02 0.06 -0.13 0.00 1.68 0.00 0.00 54.58 56.17 1jba n ASN 74 Cb 0.11 -3.37 -0.10 0.00 -1.54 0.00 0.00 39.78 34.88 1jba n ASN 74 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1jba s THR 75 N -2.64 0.01 -0.15 3.41 -1.32 -1.26 -4.25 115.64 109.43 1jba s THR 75 Ca 0.00 -0.06 -0.06 0.00 -1.21 0.00 0.00 61.69 60.37 1jba s THR 75 Cb 0.00 -0.52 -0.04 0.00 -1.51 0.00 0.00 72.50 70.43 1jba s THR 75 CO 0.00 -0.03 0.04 -0.63 -2.21 0.00 0.00 174.62 171.79 1jba s ILE 76 N 0.00 4.63 0.29 5.08 1.09 -0.66 -4.98 121.20 126.65 1jba s ILE 76 Ca -0.02 -0.10 0.04 0.00 -1.10 0.00 0.00 60.65 59.48 1jba s ILE 76 Cb -0.03 -3.05 -0.02 0.00 -1.06 0.00 0.00 42.46 38.30 1jba s ILE 76 CO 0.01 0.51 0.43 -0.62 -0.10 0.00 0.00 174.94 175.17 1jba s ASP 77 N 0.01 6.21 0.30 3.58 2.15 -1.26 -2.50 116.67 125.15 1jba s ASP 77 Ca 0.05 0.08 0.11 0.00 0.43 0.00 0.00 52.55 53.22 1jba s ASP 77 Cb -0.12 -1.72 0.97 0.00 -0.30 0.00 0.00 42.92 41.75 1jba s ASP 77 CO 0.01 -0.23 1.37 0.33 -0.17 0.00 0.00 175.17 176.49 1jba n PHE 78 N -1.56 0.83 0.19 -5.34 7.35 -1.25 -0.09 117.46 117.59 1jba n PHE 78 Ca -0.06 1.04 -0.08 0.00 -0.76 0.00 0.00 57.45 57.59 1jba n PHE 78 Cb 0.57 -1.32 -0.04 0.00 0.35 0.00 0.00 39.48 39.04 1jba n PHE 78 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1jba h LEU 79 N 0.00 -0.45 -1.42 -2.13 4.07 -1.94 -1.42 115.31 112.02 1jba h LEU 79 Ca 0.65 0.02 0.37 0.00 0.08 0.00 0.00 57.88 59.00 1jba h LEU 79 Cb 1.60 0.12 -0.11 0.00 1.08 0.00 0.00 40.66 43.35 1jba h LEU 79 CO -0.73 -0.15 0.78 -0.33 -1.08 0.00 0.00 178.44 176.93 1jba h GLU 80 N -0.87 0.19 -0.37 1.13 5.08 -1.39 1.36 114.58 119.71 1jba h GLU 80 Ca -0.05 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1jba h GLU 80 Cb 0.40 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1jba h GLU 80 CO 0.09 0.13 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.31 1jba h TYR 81 N 0.20 0.72 0.00 4.33 3.20 -0.41 -2.30 116.97 122.71 1jba h TYR 81 Ca 0.72 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 62.47 1jba h TYR 81 Cb 2.15 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 40.23 1jba h TYR 81 CO -0.00 0.75 0.00 0.28 -1.64 0.00 0.00 178.16 177.55 1jba h VAL 82 N 0.48 0.00 -0.29 1.81 2.07 0.25 -2.85 116.25 117.72 1jba h VAL 82 Ca 0.11 -0.62 -0.12 0.00 0.82 0.00 0.00 66.70 66.88 1jba h VAL 82 Cb 0.47 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1jba h VAL 82 CO 0.02 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.33 1jba h ALA 83 N 2.15 0.43 -0.12 1.67 0.00 0.10 -2.86 119.26 120.64 1jba h ALA 83 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1jba h ALA 83 Cb 0.70 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1jba h ALA 83 CO 0.00 0.44 -0.45 0.00 0.00 0.00 0.00 179.25 179.24 1jba h ALA 84 N 0.71 1.02 0.10 0.00 0.00 -1.37 -2.70 119.26 117.03 1jba h ALA 84 Ca 0.05 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1jba h ALA 84 Cb 0.85 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1jba h ALA 84 CO 0.07 0.63 -0.34 -0.07 0.00 0.00 0.00 179.25 179.53 1jba h LEU 85 N 0.23 -1.00 -1.07 0.00 -0.00 -1.31 0.83 115.31 112.99 1jba h LEU 85 Ca 0.02 0.12 0.01 0.00 -0.00 0.00 0.00 57.88 58.02 1jba h LEU 85 Cb 0.89 0.38 -0.05 0.00 -0.00 0.00 0.00 40.66 41.88 1jba h LEU 85 CO 0.07 -0.42 0.61 0.78 -0.00 0.00 0.00 178.44 179.48 1jba h ASN 86 N -0.56 1.07 0.65 -0.43 2.35 -1.46 0.69 115.58 117.90 1jba h ASN 86 Ca 0.03 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1jba h ASN 86 Cb 0.60 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.71 1jba h ASN 86 CO -0.21 0.78 -0.31 0.25 -1.65 0.00 0.00 177.43 176.29 1jba h LEU 87 N 1.26 -0.74 0.01 1.61 7.12 -0.97 -3.36 115.31 120.25 1jba h LEU 87 Ca 0.34 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.35 1jba h LEU 87 Cb -0.13 0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.19 1jba h LEU 87 CO -0.07 -0.36 -0.01 0.58 -0.13 0.00 0.00 178.44 178.45 1jba h VAL 88 N -1.18 0.00 -1.50 1.05 2.07 0.75 -3.30 116.25 114.14 1jba h VAL 88 Ca -0.09 -0.03 -0.57 0.00 0.82 0.00 0.00 66.70 66.82 1jba h VAL 88 Cb 0.70 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1jba h VAL 88 CO 0.15 0.00 1.53 -0.11 0.02 0.00 0.00 177.57 179.16 1jba n LEU 89 N -2.13 2.51 -2.87 2.57 0.00 0.24 -3.32 117.00 113.99 1jba n LEU 89 Ca -0.00 0.07 -0.07 0.00 0.00 0.00 0.00 56.01 56.01 1jba n LEU 89 Cb 0.01 -1.44 0.01 0.00 0.00 0.00 0.00 43.42 41.99 1jba n LEU 89 CO 0.00 -0.94 -0.21 -1.14 0.00 0.00 0.00 177.39 175.11 1jba n ARG 90 N 8.65 -2.66 0.00 1.96 0.63 -1.26 -4.31 116.66 119.67 1jba n ARG 90 Ca 0.37 2.26 0.00 0.00 -0.92 0.00 0.00 57.85 59.56 1jba n ARG 90 Cb 0.39 -5.06 0.00 0.00 0.45 0.00 0.00 32.46 28.24 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 0.16 -2.37 0.00 5.14 0.00 -1.21 -4.69 105.19 102.23 1jba n GLY 91 Ca 0.05 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.26 0.00 -2.69 2.61 -2.24 -1.26 -5.00 114.28 105.43 1jba n THR 92 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1jba n THR 92 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1jba n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jba n LEU 93 N 0.00 0.00 0.00 3.22 -0.00 -1.26 -4.91 117.00 114.05 1jba n LEU 93 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1jba n LEU 93 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1jba n LEU 93 CO 0.00 -0.24 0.47 -0.62 -0.00 0.00 0.00 177.39 177.00 1jba n GLU 94 N -0.47 0.00 0.24 1.47 4.71 -1.26 -2.73 120.64 122.60 1jba n GLU 94 Ca 0.00 0.23 0.04 0.00 -0.01 0.00 0.00 57.16 57.42 1jba n GLU 94 Cb 0.00 -1.73 0.20 0.00 -1.01 0.00 0.00 31.44 28.90 1jba n GLU 94 CO 0.00 0.00 0.00 1.12 0.09 0.00 0.00 177.13 178.34 1jba h HIS 95 N 0.00 0.00 0.00 -0.32 2.07 -2.02 1.66 115.15 116.54 1jba h HIS 95 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1jba h HIS 95 Cb 0.45 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.43 1jba h HIS 95 CO 0.00 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 175.73 1jba h LYS 96 N 0.00 0.00 0.05 5.12 1.79 -1.91 -2.64 116.57 118.98 1jba h LYS 96 Ca 0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 1jba h LYS 96 Cb 1.36 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.02 1jba h LYS 96 CO 0.00 0.00 -0.50 -0.07 -1.08 0.00 0.00 179.45 177.80 1jba h LEU 97 N 0.00 0.36 -0.58 2.94 3.38 0.22 -2.75 115.31 118.88 1jba h LEU 97 Ca 0.00 -0.86 -0.15 0.00 0.09 0.00 0.00 57.88 56.96 1jba h LEU 97 Cb 0.71 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1jba h LEU 97 CO 0.00 1.18 -0.59 0.50 0.09 0.00 0.00 178.44 179.62 1jba h LYS 98 N -0.41 0.39 0.65 1.13 3.64 -1.65 -2.10 116.57 118.21 1jba h LYS 98 Ca -0.08 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.01 1jba h LYS 98 Cb 1.30 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 33.16 1jba h LYS 98 CO 0.10 0.86 -0.31 2.35 -2.27 0.00 0.00 179.45 180.18 1jba h TRP 99 N 0.29 -0.81 -1.01 1.91 7.01 -1.56 -2.29 115.95 119.49 1jba h TRP 99 Ca -0.00 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.02 1jba h TRP 99 Cb 1.11 0.27 -0.06 0.00 -2.10 0.00 0.00 29.16 28.38 1jba h TRP 99 CO 0.03 -0.47 0.66 0.00 -2.79 0.00 0.00 178.44 175.87 1jba h THR 100 N -1.15 1.17 -0.88 2.65 1.03 -1.57 -1.42 112.91 112.74 1jba h THR 100 Ca -0.09 -0.44 0.08 0.00 -0.01 0.00 0.00 66.41 65.96 1jba h THR 100 Cb 0.70 -0.21 -0.06 0.00 -1.07 0.00 0.00 68.15 67.51 1jba h THR 100 CO 0.15 0.23 0.57 0.15 -0.01 0.00 0.00 175.52 176.61 1jba h PHE 101 N 1.27 0.97 -0.42 0.00 3.04 -1.35 -0.92 116.94 119.53 1jba h PHE 101 Ca 0.41 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 62.27 1jba h PHE 101 Cb 0.02 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 38.20 1jba h PHE 101 CO -0.00 0.47 -0.17 0.87 -2.02 0.00 0.00 178.31 177.45 1jba h LYS 102 N 0.92 0.79 -0.21 1.11 1.79 -0.66 -3.04 116.57 117.26 1jba h LYS 102 Ca 0.40 -0.30 0.05 0.00 -2.18 0.00 0.00 60.65 58.62 1jba h LYS 102 Cb 0.33 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.89 1jba h LYS 102 CO -0.16 0.91 -0.07 0.82 -1.08 0.00 0.00 179.45 179.87 1jba h ILE 103 N 0.70 0.74 -0.37 1.86 1.08 -0.82 -2.12 117.51 118.58 1jba h ILE 103 Ca 0.11 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.65 1jba h ILE 103 Cb 0.68 0.74 -0.08 0.00 -3.07 0.00 0.00 36.82 35.09 1jba h ILE 103 CO 0.05 0.00 -0.16 1.88 -0.69 0.00 0.00 178.15 179.23 1jba h TYR 104 N -0.03 -0.40 0.00 1.37 0.05 -1.39 -3.02 116.97 113.55 1jba h TYR 104 Ca 0.11 0.04 -0.56 0.00 0.05 0.00 0.00 58.73 58.37 1jba h TYR 104 Cb 0.20 0.23 0.07 0.00 1.01 0.00 0.00 36.73 38.24 1jba h TYR 104 CO -0.24 -0.24 2.01 -0.25 -1.05 0.00 0.00 178.16 178.39 1jba n ASP 105 N -5.35 2.24 0.08 3.88 8.00 -0.80 -4.54 116.55 120.07 1jba n ASP 105 Ca 0.02 -2.54 0.00 0.00 0.71 0.00 0.00 54.79 52.97 1jba n ASP 105 Cb 0.26 -0.91 0.31 0.00 -0.02 0.00 0.00 41.12 40.76 1jba n ASP 105 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1jba h LYS 106 N 8.25 0.30 -0.00 -1.24 3.64 -1.70 -1.59 116.57 124.24 1jba h LYS 106 Ca 0.36 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1jba h LYS 106 Cb 0.57 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1jba h LYS 106 CO 1.86 0.51 -0.04 -0.40 -2.27 0.00 0.00 179.45 179.11 1jba n ASP 107 N -4.18 0.32 -3.04 4.20 5.75 -1.26 -4.97 116.55 113.37 1jba n ASP 107 Ca -0.01 -0.72 -0.10 0.00 -0.01 0.00 0.00 54.79 53.95 1jba n ASP 107 Cb 0.34 -0.09 0.01 0.00 -1.03 0.00 0.00 41.12 40.36 1jba n ASP 107 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1jba n ARG 108 N -0.92 -2.07 0.00 0.11 0.63 -0.60 -4.95 116.66 108.86 1jba n ARG 108 Ca 0.18 1.82 0.00 0.00 -0.92 0.00 0.00 57.85 58.93 1jba n ARG 108 Cb 0.22 -3.60 0.00 0.00 0.45 0.00 0.00 32.46 29.54 1jba n ARG 108 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1jba n ASN 109 N 0.44 0.20 0.00 6.15 6.94 -1.26 -4.99 115.26 122.74 1jba n ASN 109 Ca 0.01 -1.06 0.00 0.00 -0.02 0.00 0.00 54.58 53.50 1jba n ASN 109 Cb 0.38 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 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 -0.03 0.73 3.20 4.83 0.00 -1.26 -4.97 105.19 107.69 1jba n GLY 110 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1jba n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba s ILE 112 N -0.30 5.38 0.06 0.00 1.01 -0.66 -4.88 121.20 121.81 1jba s ILE 112 Ca -0.04 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.57 1jba s ILE 112 Cb -0.03 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 1jba s ILE 112 CO 0.01 0.32 -0.05 -0.62 0.00 0.00 0.00 174.94 174.61 1jba s ASP 113 N -1.89 0.71 0.63 3.58 -1.08 -1.26 -2.34 116.67 115.02 1jba s ASP 113 Ca 0.28 -0.84 0.05 0.00 -0.52 0.00 0.00 52.55 51.53 1jba s ASP 113 Cb -0.13 0.12 0.28 0.00 -1.46 0.00 0.00 42.92 41.73 1jba s ASP 113 CO 0.18 -0.44 1.14 -0.09 0.52 0.00 0.00 175.17 176.48 1jba h ARG 114 N 3.59 0.00 -0.17 4.34 2.43 -1.98 1.11 114.38 123.71 1jba h ARG 114 Ca -0.34 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.73 1jba h ARG 114 Cb 1.17 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1jba h ARG 114 CO 0.57 0.00 -0.27 1.96 -1.51 0.00 0.00 179.97 180.72 1jba h GLN 115 N 0.00 0.48 -0.03 0.20 7.50 -2.00 -2.39 115.11 118.86 1jba h GLN 115 Ca 0.00 -0.29 -0.07 0.00 0.50 0.00 0.00 58.65 58.79 1jba h GLN 115 Cb 1.71 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 29.26 1jba h GLN 115 CO 0.00 0.89 -0.30 0.93 -1.50 0.00 0.00 178.83 178.85 1jba h GLU 116 N 0.12 0.06 0.00 1.46 3.07 0.96 -2.66 114.58 117.58 1jba h GLU 116 Ca 0.01 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1jba h GLU 116 Cb 0.85 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1jba h GLU 116 CO 0.06 0.36 0.00 1.28 -1.40 0.00 0.00 179.01 179.31 1jba n LEU 117 N -4.17 0.77 -0.52 1.33 7.99 -1.01 -1.82 117.00 119.57 1jba n LEU 117 Ca -0.02 0.42 0.42 0.00 -0.01 0.00 0.00 56.01 56.82 1jba n LEU 117 Cb 0.36 -0.07 0.69 0.00 -0.11 0.00 0.00 43.42 44.29 1jba n LEU 117 CO 0.38 -0.07 1.25 -0.11 -1.51 0.00 0.00 177.39 177.33 1jba n LEU 118 N -0.70 0.15 0.05 2.23 0.00 -0.92 -1.12 117.00 116.68 1jba n LEU 118 Ca 0.00 1.23 -0.02 0.00 0.00 0.00 0.00 56.01 57.22 1jba n LEU 118 Cb 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 43.42 42.81 1jba n LEU 118 CO 0.00 -1.31 0.36 0.44 0.00 0.00 0.00 177.39 176.88 1jba h ASP 119 N 0.00 -0.11 0.30 1.96 5.19 -1.47 -0.94 116.42 121.36 1jba h ASP 119 Ca 0.86 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.28 1jba h ASP 119 Cb 2.99 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 42.49 1jba h ASP 119 CO -0.33 -0.06 -0.52 0.40 -3.12 0.00 0.00 179.24 175.62 1jba h ILE 120 N -0.16 0.01 -0.52 0.35 1.08 -0.34 -2.23 117.51 115.70 1jba h ILE 120 Ca -0.01 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.56 1jba h ILE 120 Cb 0.10 0.01 -0.11 0.00 -3.07 0.00 0.00 36.82 33.75 1jba h ILE 120 CO 0.02 0.00 -0.22 -0.37 -0.69 0.00 0.00 178.15 176.89 1jba h VAL 121 N -0.87 0.33 -0.92 1.67 -1.51 -1.29 1.37 116.25 115.02 1jba h VAL 121 Ca -0.03 0.00 0.27 0.00 -1.23 0.00 0.00 66.70 65.71 1jba h VAL 121 Cb 0.82 0.33 -0.04 0.00 -2.13 0.00 0.00 31.29 30.27 1jba h VAL 121 CO -0.18 0.00 0.79 -0.08 -1.23 0.00 0.00 177.57 176.87 1jba h GLU 122 N -0.10 0.00 -0.01 5.19 4.81 -0.69 0.64 114.58 124.42 1jba h GLU 122 Ca 0.24 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.36 1jba h GLU 122 Cb 0.48 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.86 1jba h GLU 122 CO -0.59 0.00 -0.42 1.03 -0.73 0.00 0.00 179.01 178.30 1jba h SER 123 N 0.00 0.38 -0.01 1.04 0.87 0.24 -2.57 113.55 113.50 1jba h SER 123 Ca 0.44 -0.76 -0.03 0.00 -1.23 0.00 0.00 61.79 60.21 1jba h SER 123 Cb 2.02 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.85 1jba h SER 123 CO -0.00 1.09 -0.05 0.40 -0.53 0.00 0.00 176.83 177.74 1jba h ILE 124 N -0.29 1.11 0.07 2.23 5.03 0.12 -2.77 117.51 123.01 1jba h ILE 124 Ca -0.05 -0.46 -0.00 0.00 -0.12 0.00 0.00 64.86 64.23 1jba h ILE 124 Cb 1.15 1.08 0.00 0.00 -3.03 0.00 0.00 36.82 36.02 1jba h ILE 124 CO 0.08 0.15 -0.03 1.88 -0.68 0.00 0.00 178.15 179.55 1jba h TYR 125 N 0.17 -0.08 -0.56 1.37 -1.99 -0.87 -1.70 116.97 113.31 1jba h TYR 125 Ca 0.04 -0.00 0.11 0.00 2.00 0.00 0.00 58.73 60.88 1jba h TYR 125 Cb 0.20 0.03 -0.11 0.00 2.00 0.00 0.00 36.73 38.85 1jba h TYR 125 CO 0.00 0.38 -0.15 0.87 -0.00 0.00 0.00 178.16 179.26 1jba h LYS 126 N -0.59 -0.01 -0.30 4.88 1.79 -1.22 -0.25 116.57 120.86 1jba h LYS 126 Ca -0.01 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1jba h LYS 126 Cb 0.50 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1jba h LYS 126 CO 0.02 -0.01 0.13 1.25 -1.08 0.00 0.00 179.45 179.75 1jba h LEU 127 N -0.01 0.41 0.13 2.94 5.85 -1.52 -1.33 115.31 121.77 1jba h LEU 127 Ca 0.27 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1jba h LEU 127 Cb 0.42 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1jba h LEU 127 CO -0.58 0.46 -0.49 0.50 -0.34 0.00 0.00 178.44 177.98 1jba h LYS 128 N 0.34 -0.69 -0.84 1.25 3.64 -0.18 0.74 116.57 120.84 1jba h LYS 128 Ca 0.10 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.63 1jba h LYS 128 Cb 0.17 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 1jba h LYS 128 CO -0.01 -0.46 0.54 0.87 -2.27 0.00 0.00 179.45 178.13 1jba h LYS 129 N -0.71 0.75 0.00 1.90 1.57 -1.08 0.29 116.57 119.28 1jba h LYS 129 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1jba h LYS 129 Cb 0.71 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1jba h LYS 129 CO -0.26 0.50 0.00 0.00 -0.57 0.00 0.00 179.45 179.12 1jba h ALA 130 N 1.59 1.00 -3.00 3.86 0.00 -0.00 -3.44 119.26 119.26 1jba h ALA 130 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1jba h ALA 130 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jba h ALA 130 CO -0.16 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.09 1jba n SER 132 N 0.00 0.64 -2.55 0.00 7.64 -1.26 -5.04 113.62 113.05 1jba n SER 132 Ca 0.00 -2.03 -0.05 0.00 1.01 0.00 0.00 58.87 57.80 1jba n SER 132 Cb 0.00 -0.17 0.03 0.00 -1.01 0.00 0.00 64.21 63.06 1jba n SER 132 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1jba n VAL 133 N -0.09 0.00 -3.23 0.44 0.24 -1.26 -5.10 118.33 109.33 1jba n VAL 133 Ca -0.01 -0.34 -0.02 0.00 -2.04 0.00 0.00 64.34 61.93 1jba n VAL 133 Cb 0.96 -1.26 -0.02 0.00 -1.47 0.00 0.00 33.84 32.05 1jba n VAL 133 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1jba s GLU 134 N -2.94 0.73 -0.52 7.34 -1.05 -1.26 -5.01 118.70 115.98 1jba s GLU 134 Ca 0.14 -0.21 0.04 0.00 -0.15 0.00 0.00 54.97 54.79 1jba s GLU 134 Cb -0.01 -0.03 0.16 0.00 -0.44 0.00 0.00 34.13 33.81 1jba s GLU 134 CO 0.09 -1.16 0.36 0.54 0.95 0.00 0.00 175.26 176.05 1jba s VAL 135 N 1.98 1.53 0.00 1.83 0.11 -1.26 -4.94 120.40 119.65 1jba s VAL 135 Ca 0.15 -3.18 0.00 0.00 -2.93 0.00 0.00 61.98 56.02 1jba s VAL 135 Cb -0.07 -2.04 0.00 0.00 -1.53 0.00 0.00 36.38 32.74 1jba s VAL 135 CO -0.11 -1.06 0.00 -0.62 -3.33 0.00 0.00 175.10 169.99 1jba n GLU 136 N 2.76 0.00 0.00 1.54 -0.58 -1.26 -4.47 120.64 118.63 1jba n GLU 136 Ca 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1jba n GLU 136 Cb 0.39 -0.05 0.00 0.00 -0.57 0.00 0.00 31.44 31.22 1jba n GLU 136 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jba n ALA 137 N 0.00 1.20 -1.00 0.62 0.00 -1.26 -4.46 120.51 115.61 1jba n ALA 137 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jba n ALA 137 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1jba n ALA 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jba n GLU 138 N 0.46 0.00 0.32 0.00 1.02 -1.26 -4.89 120.64 116.29 1jba n GLU 138 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1jba n GLU 138 Cb 0.03 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.37 1jba n GLU 138 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1jba h GLN 139 N 0.00 -0.78 0.00 3.49 4.20 -2.01 -3.47 115.11 116.54 1jba h GLN 139 Ca 0.00 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1jba h GLN 139 Cb 0.00 0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1jba h GLN 139 CO 0.00 -0.47 0.00 0.94 -0.67 0.00 0.00 178.83 178.63 1jba n GLN 140 N -5.37 0.00 0.00 1.46 0.00 -1.26 -4.88 117.38 107.33 1jba n GLN 140 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.88 1jba n GLN 140 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.59 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jba n GLY 141 N 0.00 -0.58 2.39 1.69 0.00 -1.26 -4.95 105.19 102.49 1jba n GLY 141 Ca 0.00 0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1jba n GLY 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jba n LYS 142 N -2.34 2.32 -1.17 1.61 5.02 -1.26 -4.98 118.16 117.36 1jba n LYS 142 Ca 0.00 -2.29 -0.34 0.00 -2.02 0.00 0.00 58.31 53.65 1jba n LYS 142 Cb 0.00 -2.06 0.11 0.00 -0.02 0.00 0.00 35.03 33.06 1jba n LYS 142 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jba n LEU 143 N 0.63 3.15 0.00 -0.35 4.77 -1.26 -5.02 117.00 118.93 1jba n LEU 143 Ca 0.46 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 1jba n LEU 143 Cb 0.54 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1jba n LEU 143 CO 0.37 -2.20 0.00 0.00 -1.33 0.00 0.00 177.39 174.22 1jba n LEU 144 N -2.17 0.00 -3.62 2.23 -0.00 -1.26 -5.15 117.00 107.03 1jba n LEU 144 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.09 1jba n LEU 144 Cb 0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.88 1jba n LEU 144 CO 0.49 0.00 1.06 0.28 -0.00 0.00 0.00 177.39 179.22 1jba s THR 145 N 2.12 0.00 -0.51 1.47 -1.32 -1.26 -4.97 115.64 111.17 1jba s THR 145 Ca 0.00 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 1jba s THR 145 Cb 0.00 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.03 1jba s THR 145 CO 0.00 0.00 1.01 -2.65 -2.21 0.00 0.00 174.62 170.77 1jba n PRO 146 N 0.43 0.03 0.00 7.08 -0.01 -1.26 0.23 135.00 141.50 1jba n PRO 146 Ca -0.02 0.42 -0.05 0.00 -0.01 0.00 0.00 63.50 63.85 1jba n PRO 146 Cb 0.58 -1.76 -0.11 0.00 -0.01 0.00 0.00 33.50 32.19 1jba n PRO 146 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 1jba n GLU 147 N -1.57 0.63 0.05 -0.52 2.13 -1.26 -3.95 120.64 116.15 1jba n GLU 147 Ca -0.00 0.26 -0.02 0.00 0.66 0.00 0.00 57.16 58.06 1jba n GLU 147 Cb 0.18 -1.80 -0.01 0.00 0.27 0.00 0.00 31.44 30.08 1jba n GLU 147 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1jba h GLU 148 N 0.00 -0.13 -0.95 5.31 4.81 -0.60 -2.62 114.58 120.41 1jba h GLU 148 Ca -0.23 0.01 0.29 0.00 -0.13 0.00 0.00 59.36 59.30 1jba h GLU 148 Cb 1.82 0.03 -0.16 0.00 0.63 0.00 0.00 28.75 31.07 1jba h GLU 148 CO 0.06 -0.09 0.30 -0.39 -0.73 0.00 0.00 179.01 178.17 1jba h VAL 149 N -0.16 0.18 -0.52 0.32 -1.51 -1.78 0.49 116.25 113.28 1jba h VAL 149 Ca -0.01 -0.05 0.09 0.00 -1.23 0.00 0.00 66.70 65.50 1jba h VAL 149 Cb 0.10 0.03 -0.07 0.00 -2.13 0.00 0.00 31.29 29.22 1jba h VAL 149 CO 0.02 0.03 0.11 0.58 -1.23 0.00 0.00 177.57 177.08 1jba h VAL 150 N 0.14 0.71 0.00 7.19 2.07 -1.67 0.28 116.25 124.97 1jba h VAL 150 Ca 0.65 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 68.06 1jba h VAL 150 Cb 1.46 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1jba h VAL 150 CO -0.73 0.04 -0.12 0.44 0.02 0.00 0.00 177.57 177.22 1jba h ASP 151 N 0.24 0.00 0.00 0.57 5.19 0.36 -2.39 116.42 120.39 1jba h ASP 151 Ca 0.26 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1jba h ASP 151 Cb 0.35 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.86 1jba h ASP 151 CO -0.34 0.12 -0.00 -0.09 -3.12 0.00 0.00 179.24 175.82 1jba h ARG 152 N 0.00 0.00 -0.29 3.56 9.65 -0.01 -2.76 114.38 124.54 1jba h ARG 152 Ca -0.00 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.95 1jba h ARG 152 Cb 0.31 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.81 1jba h ARG 152 CO 0.02 0.62 -0.29 0.82 2.80 0.00 0.00 179.97 183.94 1jba h ILE 153 N -1.00 0.30 0.62 1.20 2.04 -0.53 -1.12 117.51 119.02 1jba h ILE 153 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1jba h ILE 153 Cb 0.62 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1jba h ILE 153 CO -0.00 0.00 -0.46 0.15 0.00 0.00 0.00 178.15 177.84 1jba h PHE 154 N -0.28 -1.24 -0.78 1.37 3.04 -1.58 -2.55 116.94 114.92 1jba h PHE 154 Ca 0.14 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.18 1jba h PHE 154 Cb 0.51 0.46 -0.11 0.00 2.56 0.00 0.00 35.95 39.37 1jba h PHE 154 CO -0.46 -0.65 -0.54 -0.07 -2.02 0.00 0.00 178.31 174.57 1jba h LEU 155 N -1.04 -1.92 0.00 0.59 -0.00 -1.18 2.29 115.31 114.06 1jba h LEU 155 Ca -0.08 0.29 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1jba h LEU 155 Cb 0.85 0.85 0.00 0.00 -0.00 0.00 0.00 40.66 42.36 1jba h LEU 155 CO 0.04 -0.30 0.00 -0.11 -0.00 0.00 0.00 178.44 178.07 1jba n LEU 156 N -5.33 0.00 -0.13 1.67 0.00 -0.45 -2.04 117.00 110.72 1jba n LEU 156 Ca 0.01 0.96 -0.01 0.00 0.00 0.00 0.00 56.01 56.98 1jba n LEU 156 Cb 0.31 -0.46 0.25 0.00 0.00 0.00 0.00 43.42 43.52 1jba n LEU 156 CO -0.09 -0.46 1.08 -0.37 0.00 0.00 0.00 177.39 177.54 1jba h VAL 157 N 0.00 1.20 -0.18 1.96 -1.51 -1.02 -3.43 116.25 113.27 1jba h VAL 157 Ca 0.00 -0.58 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1jba h VAL 157 Cb 0.00 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 29.65 1jba h VAL 157 CO 0.00 0.24 0.00 -0.67 -1.23 0.00 0.00 177.57 175.91 1jba n ASP 158 N -4.35 0.00 -1.87 4.19 2.03 0.77 -4.57 116.55 112.74 1jba n ASP 158 Ca 0.05 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.35 1jba n ASP 158 Cb 0.14 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 1jba n ASP 158 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1jba n GLU 159 N 0.00 -0.93 0.00 -0.67 2.13 -1.25 -4.87 120.64 115.06 1jba n GLU 159 Ca 0.00 1.11 0.00 0.00 0.66 0.00 0.00 57.16 58.93 1jba n GLU 159 Cb 0.00 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.25 1jba n GLU 159 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1jba n ASN 160 N -0.02 0.00 -0.26 4.31 6.94 -1.26 -5.09 115.26 119.88 1jba n ASN 160 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 1jba n ASN 160 Cb 0.05 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 1jba n ASN 160 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jba n GLY 161 N 0.00 -0.05 0.00 4.83 0.00 -1.26 -5.05 105.19 103.66 1jba n GLY 161 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1jba n GLY 161 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jba n ASP 162 N -0.05 0.00 0.00 1.61 5.75 -1.26 -4.99 116.55 117.61 1jba n ASP 162 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1jba n ASP 162 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1jba n ASP 162 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jba n GLY 163 N -0.35 0.52 3.15 6.12 0.00 -1.26 -5.03 105.19 108.35 1jba n GLY 163 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.92 0.34 -0.53 1.61 -0.21 -1.26 -5.05 119.66 113.63 1jba s GLN 164 Ca 0.00 0.29 -0.19 0.00 0.02 0.00 0.00 55.36 55.48 1jba s GLN 164 Cb 0.00 0.16 0.07 0.00 1.00 0.00 0.00 33.01 34.24 1jba s GLN 164 CO 0.00 -0.05 0.66 -1.17 -2.12 0.00 0.00 175.29 172.61 1jba s LEU 165 N -0.03 5.02 0.67 2.90 2.96 -0.99 -4.97 118.68 124.24 1jba s LEU 165 Ca -0.02 -1.02 -0.02 0.00 -0.22 0.00 0.00 54.13 52.86 1jba s LEU 165 Cb -0.02 -2.42 0.08 0.00 0.50 0.00 0.00 46.19 44.33 1jba s LEU 165 CO 0.01 -0.97 0.93 -0.55 -1.32 0.00 0.00 176.35 174.45 1jba s SER 166 N 2.94 4.71 -0.00 3.68 0.15 -1.26 -1.66 113.70 122.26 1jba s SER 166 Ca 0.15 -0.06 -0.25 0.00 0.70 0.00 0.00 55.95 56.49 1jba s SER 166 Cb -0.20 -0.54 -0.18 0.00 -1.71 0.00 0.00 66.02 63.39 1jba s SER 166 CO 0.11 -1.60 1.26 0.25 1.20 0.00 0.00 173.24 174.46 1jba h LEU 167 N -0.38 -0.18 -0.99 3.45 5.85 -1.97 -2.49 115.31 118.61 1jba h LEU 167 Ca -0.40 -0.29 0.37 0.00 0.84 0.00 0.00 57.88 58.39 1jba h LEU 167 Cb 1.29 0.05 -0.18 0.00 0.37 0.00 0.00 40.66 42.18 1jba h LEU 167 CO 0.48 0.22 0.40 -1.13 -0.34 0.00 0.00 178.44 178.07 1jba h ASN 168 N -0.60 0.12 -0.04 1.25 -1.24 -2.00 0.34 115.58 113.41 1jba h ASN 168 Ca -0.02 0.26 -0.05 0.00 0.71 0.00 0.00 56.30 57.19 1jba h ASN 168 Cb 0.45 0.31 0.00 0.00 0.73 0.00 0.00 38.32 39.82 1jba h ASN 168 CO 0.04 -0.38 -0.19 -0.33 -1.29 0.00 0.00 177.43 175.28 1jba h GLU 169 N 0.04 0.20 -0.05 6.67 5.08 -1.87 -2.75 114.58 121.90 1jba h GLU 169 Ca 0.76 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.97 1jba h GLU 169 Cb 1.89 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.15 1jba h GLU 169 CO -0.79 0.81 -0.15 0.35 -1.00 0.00 0.00 179.01 178.23 1jba h PHE 170 N -0.37 -0.46 -0.15 4.33 3.57 0.11 0.10 116.94 124.07 1jba h PHE 170 Ca -0.01 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1jba h PHE 170 Cb 0.85 0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.73 1jba h PHE 170 CO 0.14 -0.15 -0.44 -0.39 -2.23 0.00 0.00 178.31 175.24 1jba h VAL 171 N -0.15 0.12 0.00 1.41 -1.51 -1.48 1.81 116.25 116.45 1jba h VAL 171 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.48 1jba h VAL 171 Cb 0.19 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 29.47 1jba h VAL 171 CO -0.13 0.00 0.20 -0.62 -1.23 0.00 0.00 177.57 175.79 1jba n GLU 172 N -5.43 0.04 -0.07 5.19 -0.58 -1.02 0.12 120.64 118.90 1jba n GLU 172 Ca -0.04 0.43 -0.09 0.00 -0.42 0.00 0.00 57.16 57.04 1jba n GLU 172 Cb 0.36 -1.83 -0.06 0.00 -0.57 0.00 0.00 31.44 29.34 1jba n GLU 172 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jba n GLY 173 N -1.31 -0.23 0.27 0.62 0.00 0.25 -4.37 105.19 100.42 1jba n GLY 173 Ca -0.00 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.05 1jba n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 174 N -2.83 3.09 -0.10 4.61 0.00 0.55 -4.25 120.51 121.58 1jba n ALA 174 Ca -0.23 -0.42 -0.17 0.00 0.00 0.00 0.00 53.44 52.62 1jba n ALA 174 Cb 0.76 -1.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.02 1jba n ALA 174 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1jba n ARG 175 N -0.58 0.53 -1.22 0.00 3.00 0.33 -4.30 116.66 114.41 1jba n ARG 175 Ca 0.12 0.55 -0.19 0.00 -0.00 0.00 0.00 57.85 58.33 1jba n ARG 175 Cb 0.36 -1.72 -0.12 0.00 0.00 0.00 0.00 32.46 30.98 1jba n ARG 175 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1jba n ARG 176 N -4.48 2.18 0.00 -0.14 0.63 -1.26 -4.82 116.66 108.77 1jba n ARG 176 Ca -0.25 -1.60 0.00 0.00 -0.92 0.00 0.00 57.85 55.08 1jba n ARG 176 Cb 0.56 -2.06 0.00 0.00 0.45 0.00 0.00 32.46 31.41 1jba n ARG 176 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1jba n ASP 177 N 1.77 0.00 0.00 6.15 -0.08 -1.26 -5.01 116.55 118.12 1jba n ASP 177 Ca 0.46 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.74 1jba n ASP 177 Cb 0.75 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.21 1jba n ASP 177 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1jba n LYS 178 N 0.00 0.00 0.00 -0.67 3.00 -1.26 -4.93 118.16 114.30 1jba n LYS 178 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 1jba n LYS 178 Cb 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 35.03 34.86 1jba n LYS 178 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.40 179.75 1jba h TRP 179 N 0.00 0.15 -0.07 5.64 7.01 -1.98 -3.30 115.95 123.40 1jba h TRP 179 Ca 0.00 -0.11 0.03 0.00 2.11 0.00 0.00 58.89 60.92 1jba h TRP 179 Cb 0.00 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.02 1jba h TRP 179 CO 0.00 1.20 -0.11 0.28 -2.79 0.00 0.00 178.44 177.02 1jba h VAL 180 N 0.02 0.70 0.94 2.65 2.07 -1.91 -1.49 116.25 119.24 1jba h VAL 180 Ca -0.28 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1jba h VAL 180 Cb 2.00 0.70 0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1jba h VAL 180 CO 0.10 0.00 -0.48 0.00 0.02 0.00 0.00 177.57 177.20 1jba h MET 181 N -0.16 -1.26 -0.45 1.57 -0.00 -1.82 -1.27 114.93 111.55 1jba h MET 181 Ca 0.06 0.09 0.05 0.00 -0.00 0.00 0.00 59.70 59.90 1jba h MET 181 Cb 0.24 0.29 -0.07 0.00 -0.00 0.00 0.00 31.60 32.06 1jba h MET 181 CO -0.16 -0.84 -0.42 0.87 -0.00 0.00 0.00 176.91 176.37 1jba h LYS 182 N -1.30 -0.18 -0.02 -0.10 1.79 -1.62 -0.01 116.57 115.14 1jba h LYS 182 Ca -0.13 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1jba h LYS 182 Cb 1.01 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.68 1jba h LYS 182 CO 0.19 -0.12 -0.23 1.98 -1.08 0.00 0.00 179.45 180.19 1jba h MET 183 N -0.19 -0.26 -1.40 3.15 4.05 -1.27 0.49 114.93 119.50 1jba h MET 183 Ca 0.08 0.02 0.48 0.00 -0.28 0.00 0.00 59.70 59.99 1jba h MET 183 Cb 0.39 0.06 -0.14 0.00 -0.80 0.00 0.00 31.60 31.11 1jba h MET 183 CO -0.53 -0.18 0.90 -0.11 0.23 0.00 0.00 176.91 177.23 1jba n LEU 184 N -3.75 0.20 0.00 3.39 7.94 -0.48 -3.16 117.00 121.14 1jba n LEU 184 Ca -0.03 1.37 0.00 0.00 -1.11 0.00 0.00 56.01 56.24 1jba n LEU 184 Cb 0.16 -0.67 0.00 0.00 0.53 0.00 0.00 43.42 43.44 1jba n LEU 184 CO 0.05 -1.49 0.00 1.67 -1.11 0.00 0.00 177.39 176.51 1jba n GLN 185 N -4.68 0.00 0.00 1.96 -0.06 -0.03 -5.07 117.38 109.50 1jba n GLN 185 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.40 1jba n GLN 185 Cb 1.58 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 27.76 1jba n GLN 185 CO 0.00 0.00 0.00 -0.12 -0.20 0.00 0.00 177.06 176.74 1jba n MET 186 N 0.00 0.00 0.15 3.69 1.56 -0.11 -5.04 117.12 117.37 1jba n MET 186 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1jba n MET 186 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1jba n MET 186 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1jba n ASP 187 N 0.00 -0.30 0.00 6.12 -0.08 -1.26 -4.82 116.55 116.21 1jba n ASP 187 Ca 0.00 0.52 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1jba n ASP 187 Cb 0.00 0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1jba n ASP 187 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1jba n LEU 188 N -3.50 -0.00 0.00 -2.67 7.94 -1.26 -5.03 117.00 112.48 1jba n LEU 188 Ca 0.00 0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1jba n LEU 188 Cb 0.00 0.01 0.00 0.00 0.53 0.00 0.00 43.42 43.96 1jba n LEU 188 CO 0.00 -0.50 -0.41 0.59 -1.11 0.00 0.00 177.39 175.96 1jba n ASN 189 N -2.52 4.02 0.00 1.96 4.13 -1.26 -5.10 115.26 116.50 1jba n ASN 189 Ca 0.00 0.00 0.09 0.00 1.68 0.00 0.00 54.58 56.35 1jba n ASN 189 Cb 0.00 0.37 0.51 0.00 -1.54 0.00 0.00 39.78 39.12 1jba n ASN 189 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73