#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 2.48 -0.94 1.61 3.00 -1.26 -4.58 117.38 117.70 1jba n GLN 3 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1jba n GLN 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1jba n GLN 3 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1jba n GLN 4 N 0.00 -0.50 -0.10 -1.09 7.27 -1.26 -4.99 117.38 116.71 1jba n GLN 4 Ca 0.00 0.13 -0.03 0.00 0.07 0.00 0.00 57.00 57.17 1jba n GLN 4 Cb 0.00 -3.58 0.02 0.00 2.41 0.00 0.00 30.24 29.09 1jba n GLN 4 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1jba n PHE 5 N -2.43 -3.11 0.00 3.69 -1.74 -1.26 -5.05 117.46 107.57 1jba n PHE 5 Ca 0.00 -0.09 0.00 0.00 -0.56 0.00 0.00 57.45 56.80 1jba n PHE 5 Cb 0.13 -0.10 0.00 0.00 1.52 0.00 0.00 39.48 41.03 1jba n PHE 5 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 1jba n SER 6 N -3.16 0.00 0.00 5.98 3.41 -1.26 -4.93 113.62 113.66 1jba n SER 6 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1jba n SER 6 Cb 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1jba n SER 6 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1jba n TRP 7 N 0.00 0.00 0.19 7.33 8.01 -1.26 -1.95 117.44 129.76 1jba n TRP 7 Ca 0.00 0.00 0.14 0.00 -1.31 0.00 0.00 57.50 56.33 1jba n TRP 7 Cb 0.00 -0.16 0.50 0.00 -2.01 0.00 0.00 31.31 29.65 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 0.00 0.00 0.00 -0.99 4.81 -2.00 -0.37 114.58 116.03 1jba h GLU 8 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1jba h GLU 8 Cb 0.53 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1jba h GLU 8 CO 0.00 0.00 -0.20 1.05 -0.73 0.00 0.00 179.01 179.13 1jba h GLU 9 N 0.00 0.00 -0.64 1.92 4.11 -1.79 -2.46 114.58 115.72 1jba h GLU 9 Ca 0.13 0.00 0.19 0.00 0.07 0.00 0.00 59.36 59.74 1jba h GLU 9 Cb 1.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.76 1jba h GLU 9 CO -0.00 0.20 0.95 0.00 0.07 0.00 0.00 179.01 180.23 1jba h ALA 10 N -0.83 2.49 0.14 1.06 0.00 -1.33 1.40 119.26 122.20 1jba h ALA 10 Ca -0.02 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 1jba h ALA 10 Cb 0.34 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1jba h ALA 10 CO -0.01 -1.28 -1.85 0.93 0.00 0.00 0.00 179.25 177.04 1jba h GLU 11 N 0.00 0.29 -0.25 0.00 4.39 -1.52 -3.31 114.58 114.18 1jba h GLU 11 Ca 0.30 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1jba h GLU 11 Cb 2.20 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 31.03 1jba h GLU 11 CO -0.00 1.24 0.00 -1.91 -1.16 0.00 0.00 179.01 177.17 1jba n GLU 12 N -3.60 1.02 0.07 2.33 4.07 0.45 -3.20 120.64 121.78 1jba n GLU 12 Ca -0.29 -0.02 0.13 0.00 -0.06 0.00 0.00 57.16 56.91 1jba n GLU 12 Cb 1.03 -1.13 0.36 0.00 -0.06 0.00 0.00 31.44 31.63 1jba n GLU 12 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1jba n ASN 13 N -0.36 0.65 0.00 4.31 5.15 0.44 -4.92 115.26 120.52 1jba n ASN 13 Ca 0.00 0.37 0.00 0.00 -0.60 0.00 0.00 54.58 54.36 1jba n ASN 13 Cb 0.07 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 38.92 1jba n ASN 13 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jba n GLY 14 N 1.36 0.64 0.67 8.20 0.00 -1.19 -5.06 105.19 109.80 1jba n GLY 14 Ca 0.05 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.39 1jba n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 15 N 0.00 -1.71 -2.28 4.61 0.00 -1.25 -4.77 120.51 115.11 1jba n ALA 15 Ca 0.00 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 1jba n ALA 15 Cb 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 1jba n ALA 15 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jba s VAL 16 N -3.67 3.81 0.04 0.00 1.01 -1.26 -4.93 120.40 115.41 1jba s VAL 16 Ca 0.00 1.21 -0.26 0.00 0.00 0.00 0.00 61.98 62.93 1jba s VAL 16 Cb 0.00 -3.78 -0.17 0.00 0.00 0.00 0.00 36.38 32.43 1jba s VAL 16 CO 0.00 0.02 1.48 1.23 0.00 0.00 0.00 175.10 177.83 1jba h GLY 17 N 8.01 -0.30 -5.28 4.51 0.00 -1.89 -3.44 103.07 104.69 1jba h GLY 17 Ca -0.38 0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.14 1jba h GLY 17 CO 0.89 -0.11 -0.17 0.00 0.00 0.00 0.00 176.54 177.15 1jba s ALA 18 N -5.42 -4.10 -0.78 3.60 0.00 -1.26 -4.93 121.76 108.87 1jba s ALA 18 Ca -0.15 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1jba s ALA 18 Cb 0.04 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1jba s ALA 18 CO 0.62 -2.46 0.00 0.00 0.00 0.00 0.00 175.76 173.92 1jba n ALA 19 N 3.60 -0.70 -0.20 0.00 0.00 -1.26 -4.79 120.51 117.15 1jba n ALA 19 Ca 0.08 0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.52 1jba n ALA 19 Cb 0.62 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 1jba n ALA 19 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1jba h ASP 20 N 0.00 -1.47 -0.82 0.00 1.82 -1.92 -1.56 116.42 112.47 1jba h ASP 20 Ca -0.20 0.24 0.07 0.00 -0.39 0.00 0.00 57.03 56.75 1jba h ASP 20 Cb 1.04 0.67 -0.10 0.00 0.68 0.00 0.00 39.33 41.62 1jba h ASP 20 CO 0.25 -0.34 -0.48 0.00 -1.61 0.00 0.00 179.24 177.06 1jba n ALA 21 N -3.15 -0.52 -0.38 -0.78 0.00 -1.26 0.28 120.51 114.70 1jba n ALA 21 Ca 0.02 0.70 0.33 0.00 0.00 0.00 0.00 53.44 54.48 1jba n ALA 21 Cb 0.35 -0.04 0.65 0.00 0.00 0.00 0.00 19.45 20.41 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 0.26 2.78 -0.18 0.00 0.00 -1.67 0.69 119.26 121.14 1jba h ALA 22 Ca 0.13 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1jba h ALA 22 Cb 0.34 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1jba h ALA 22 CO -0.77 -1.22 -0.26 0.37 0.00 0.00 0.00 179.25 177.37 1jba h GLN 23 N 0.16 0.49 -0.79 0.00 -0.00 0.44 -2.83 115.11 112.58 1jba h GLN 23 Ca 0.66 -0.29 0.06 0.00 -0.00 0.00 0.00 58.65 59.08 1jba h GLN 23 Cb 2.17 0.03 -0.05 0.00 0.00 0.00 0.00 27.48 29.63 1jba h GLN 23 CO -0.20 0.88 0.52 -0.07 0.00 0.00 0.00 178.83 179.96 1jba h LEU 24 N 0.13 0.75 0.68 -2.39 -0.00 0.28 -0.51 115.31 114.25 1jba h LEU 24 Ca 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.87 1jba h LEU 24 Cb 0.84 -0.16 0.01 0.00 -0.00 0.00 0.00 40.66 41.35 1jba h LEU 24 CO 0.06 0.48 -0.33 1.56 -0.00 0.00 0.00 178.44 180.22 1jba h GLN 25 N 0.85 -0.88 -0.98 1.13 1.08 -1.08 -1.09 115.11 114.14 1jba h GLN 25 Ca 0.34 0.06 0.25 0.00 -1.45 0.00 0.00 58.65 57.86 1jba h GLN 25 Cb 0.24 0.20 -0.06 0.00 -0.05 0.00 0.00 27.48 27.81 1jba h GLN 25 CO -0.12 -0.59 0.66 1.49 -0.95 0.00 0.00 178.83 179.33 1jba h GLU 26 N -0.93 0.24 0.00 1.46 4.22 -1.25 1.51 114.58 119.83 1jba h GLU 26 Ca -0.09 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.30 1jba h GLU 26 Cb 0.70 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1jba h GLU 26 CO 0.15 0.16 -0.17 2.35 -2.18 0.00 0.00 179.01 179.32 1jba h TRP 27 N 0.24 0.00 -0.05 0.92 2.91 -0.48 -1.96 115.95 117.54 1jba h TRP 27 Ca 0.51 0.00 -0.23 0.00 1.13 0.00 0.00 58.89 60.30 1jba h TRP 27 Cb 1.55 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 30.21 1jba h TRP 27 CO -0.00 0.17 -0.90 -0.92 -1.03 0.00 0.00 178.44 175.76 1jba h TYR 28 N 0.00 0.81 -0.39 2.65 5.03 0.34 -2.52 116.97 122.89 1jba h TYR 28 Ca -0.00 -0.41 -0.10 0.00 2.58 0.00 0.00 58.73 60.80 1jba h TYR 28 Cb 0.39 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 1jba h TYR 28 CO 0.00 1.22 -0.15 -0.22 -1.32 0.00 0.00 178.16 177.69 1jba h LYS 29 N 0.35 0.80 -0.69 1.82 3.64 -0.96 -2.62 116.57 118.90 1jba h LYS 29 Ca -0.08 -0.33 -0.04 0.00 -1.27 0.00 0.00 60.65 58.93 1jba h LYS 29 Cb 1.52 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.28 1jba h LYS 29 CO 0.17 0.96 0.26 -0.22 -2.27 0.00 0.00 179.45 178.34 1jba h LYS 30 N 0.61 1.02 0.13 1.90 1.63 -1.40 0.47 116.57 120.94 1jba h LYS 30 Ca 0.09 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1jba h LYS 30 Cb 0.69 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1jba h LYS 30 CO 0.05 0.85 -0.06 0.35 -3.45 0.00 0.00 179.45 177.18 1jba h PHE 31 N 1.00 -0.17 0.40 1.91 3.57 -1.29 -3.37 116.94 119.00 1jba h PHE 31 Ca 0.23 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1jba h PHE 31 Cb 0.22 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1jba h PHE 31 CO 0.02 -0.10 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.73 1jba h LEU 32 N -0.19 -0.46 0.00 0.59 4.07 -1.50 -3.45 115.31 114.37 1jba h LEU 32 Ca -0.02 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1jba h LEU 32 Cb 0.14 0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.00 1jba h LEU 32 CO 0.03 -0.16 0.00 1.21 -1.08 0.00 0.00 178.44 178.44 1jba n GLU 33 N -4.42 0.00 -0.42 1.13 0.00 0.17 -3.13 120.64 113.97 1jba n GLU 33 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.08 1jba n GLU 33 Cb 0.21 -0.69 -0.01 0.00 0.00 0.00 0.00 31.44 30.95 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 -3.90 5.31 4.07 -1.26 -5.06 120.64 119.80 1jba n GLU 34 Ca 0.00 -0.18 -0.30 0.00 -0.06 0.00 0.00 57.16 56.62 1jba n GLU 34 Cb 0.00 0.23 -0.13 0.00 -0.06 0.00 0.00 31.44 31.48 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jba n PRO 36 N 2.66 0.94 0.00 0.00 -0.02 -1.26 -3.75 135.00 133.57 1jba n PRO 36 Ca 0.11 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1jba n PRO 36 Cb 0.34 -3.48 0.00 0.00 -0.02 0.00 0.00 33.50 30.33 1jba n PRO 36 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jba n SER 37 N 16.47 0.00 0.00 2.55 2.88 -1.26 -5.00 113.62 129.25 1jba n SER 37 Ca 0.39 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1jba n SER 37 Cb 0.52 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 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 -1.07 0.59 3.21 0.46 0.00 -1.25 -5.02 105.19 102.12 1jba n GLY 38 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1jba n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jba s THR 39 N -2.00 0.14 0.04 2.61 -4.23 -1.26 -2.89 115.64 108.04 1jba s THR 39 Ca 0.00 -1.20 -0.01 0.00 -1.18 0.00 0.00 61.69 59.30 1jba s THR 39 Cb 0.00 -1.38 -0.03 0.00 1.34 0.00 0.00 72.50 72.43 1jba s THR 39 CO 0.00 -0.63 -0.03 -1.48 -0.54 0.00 0.00 174.62 171.94 1jba s LEU 40 N -2.87 2.38 0.30 4.79 0.05 -0.82 -4.95 118.68 117.56 1jba s LEU 40 Ca 0.06 -0.79 0.03 0.00 0.05 0.00 0.00 54.13 53.48 1jba s LEU 40 Cb 0.05 0.16 -0.03 0.00 -2.05 0.00 0.00 46.19 44.31 1jba s LEU 40 CO -0.10 -0.47 0.47 -0.36 -0.55 0.00 0.00 176.35 175.33 1jba s PHE 41 N -2.88 3.46 0.61 3.48 0.08 -1.26 -1.69 117.98 119.78 1jba s PHE 41 Ca -0.03 0.17 0.25 0.00 0.12 0.00 0.00 56.93 57.45 1jba s PHE 41 Cb 0.00 -1.76 0.99 0.00 -0.57 0.00 0.00 43.02 41.69 1jba s PHE 41 CO -0.06 0.25 1.42 0.00 -0.10 0.00 0.00 175.22 176.73 1jba h MET 42 N 0.93 0.00 0.91 0.44 -0.00 -1.99 -0.05 114.93 115.17 1jba h MET 42 Ca -0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.15 1jba h MET 42 Cb 1.23 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.83 1jba h MET 42 CO 0.61 0.00 -0.44 1.25 -0.00 0.00 0.00 176.91 178.33 1jba h HIS 43 N 0.00 -1.13 0.00 -0.10 6.17 -2.01 -1.80 115.15 116.28 1jba h HIS 43 Ca 0.39 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.44 1jba h HIS 43 Cb 2.45 0.37 0.00 0.00 2.52 0.00 0.00 27.41 32.75 1jba h HIS 43 CO 0.00 -0.70 0.02 0.39 0.71 0.00 0.00 177.93 178.35 1jba n GLU 44 N -5.51 0.00 -0.05 5.26 4.71 -0.04 -2.47 120.64 122.54 1jba n GLU 44 Ca -0.15 0.48 -0.01 0.00 -0.01 0.00 0.00 57.16 57.46 1jba n GLU 44 Cb 0.48 -1.52 -0.00 0.00 -1.01 0.00 0.00 31.44 29.39 1jba n GLU 44 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1jba h PHE 45 N 0.00 0.00 -1.11 -0.32 3.57 -1.27 -2.53 116.94 115.28 1jba h PHE 45 Ca 0.00 0.00 0.31 0.00 3.53 0.00 0.00 57.97 61.81 1jba h PHE 45 Cb 0.04 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.68 1jba h PHE 45 CO 0.00 0.00 0.72 0.87 -2.23 0.00 0.00 178.31 177.67 1jba h LYS 46 N -0.80 0.29 0.03 1.11 1.57 -1.03 0.96 116.57 118.71 1jba h LYS 46 Ca 0.00 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1jba h LYS 46 Cb 0.15 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1jba h LYS 46 CO 0.00 0.19 -0.02 -0.09 -0.57 0.00 0.00 179.45 178.97 1jba h ARG 47 N 0.30 -0.04 -0.13 3.15 2.43 -1.63 -2.00 114.38 116.46 1jba h ARG 47 Ca 0.64 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.85 1jba h ARG 47 Cb 1.80 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.35 1jba h ARG 47 CO -0.31 -0.03 0.48 0.35 -1.51 0.00 0.00 179.97 178.95 1jba h PHE 48 N -0.16 0.00 0.00 2.20 3.57 -1.20 0.52 116.94 121.87 1jba h PHE 48 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1jba h PHE 48 Cb 0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1jba h PHE 48 CO 0.04 0.00 0.00 0.34 -2.23 0.00 0.00 178.31 176.46 1jba n PHE 49 N -3.03 0.00 0.12 0.41 -0.00 0.31 -4.72 117.46 110.55 1jba n PHE 49 Ca 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.23 1jba n PHE 49 Cb 0.56 -0.12 -0.14 0.00 -0.00 0.00 0.00 39.48 39.77 1jba n PHE 49 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 1jba h LYS 50 N 0.00 0.57 -2.96 -4.13 1.79 -1.36 -3.50 116.57 106.97 1jba h LYS 50 Ca 0.00 -0.85 0.00 0.00 -2.18 0.00 0.00 60.65 57.62 1jba h LYS 50 Cb 0.00 0.30 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1jba h LYS 50 CO 0.00 1.40 -0.77 0.28 -1.08 0.00 0.00 179.45 179.28 1jba n VAL 51 N -3.74 -2.38 -1.55 0.50 0.31 0.18 -4.55 118.33 107.10 1jba n VAL 51 Ca -0.15 1.18 -0.37 0.00 -0.01 0.00 0.00 64.34 64.99 1jba n VAL 51 Cb 1.04 -1.95 -0.04 0.00 -0.91 0.00 0.00 33.84 31.98 1jba n VAL 51 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1jba n PRO 52 N -2.33 1.05 0.00 5.55 -0.04 -1.26 -4.10 135.00 133.87 1jba n PRO 52 Ca 0.00 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1jba n PRO 52 Cb 0.37 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 1jba n PRO 52 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1jba n ASP 53 N 15.10 0.00 0.00 3.54 5.75 -1.26 -5.00 116.55 134.68 1jba n ASP 53 Ca 0.38 -0.10 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 1jba n ASP 53 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1jba n ASP 53 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1jba n ASN 54 N 0.00 0.00 -0.66 -1.12 5.15 -1.26 -5.15 115.26 112.22 1jba n ASN 54 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1jba n ASN 54 Cb 0.03 0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 1jba n ASN 54 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1jba n GLU 55 N -1.83 0.00 0.00 1.20 2.13 -1.26 -4.62 120.64 116.26 1jba n GLU 55 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1jba n GLU 55 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1jba n GLU 55 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1jba n GLU 56 N -1.31 0.00 0.00 5.31 4.07 -1.26 -4.37 120.64 123.08 1jba n GLU 56 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1jba n GLU 56 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1jba n GLU 56 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jba n ALA 57 N 0.00 2.39 0.28 4.31 0.00 -1.26 -3.41 120.51 122.82 1jba n ALA 57 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1jba n ALA 57 Cb 0.00 -1.00 0.16 0.00 0.00 0.00 0.00 19.45 18.61 1jba n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba h THR 58 N 0.04 0.00 -0.13 0.00 1.03 -1.96 -3.28 112.91 108.60 1jba h THR 58 Ca 0.00 -0.88 -0.22 0.00 -0.01 0.00 0.00 66.41 65.30 1jba h THR 58 Cb 0.64 1.71 0.01 0.00 -1.07 0.00 0.00 68.15 69.44 1jba h THR 58 CO 0.00 0.00 -0.79 -0.61 -0.01 0.00 0.00 175.52 174.11 1jba h GLN 59 N 0.00 0.73 0.35 0.00 4.15 -1.95 -2.56 115.11 115.83 1jba h GLN 59 Ca 0.00 -0.61 -0.02 0.00 0.77 0.00 0.00 58.65 58.79 1jba h GLN 59 Cb 0.94 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1jba h GLN 59 CO 0.00 1.22 -0.17 -0.92 -1.93 0.00 0.00 178.83 177.03 1jba h TYR 60 N 0.50 -0.44 -0.84 3.99 3.20 -1.83 -2.44 116.97 119.11 1jba h TYR 60 Ca -0.05 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.89 1jba h TYR 60 Cb 1.42 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 39.77 1jba h TYR 60 CO 0.08 -0.17 0.55 0.28 -1.64 0.00 0.00 178.16 177.25 1jba h VAL 61 N -0.64 0.99 -0.41 1.81 2.07 -1.64 -1.25 116.25 117.18 1jba h VAL 61 Ca -0.05 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.22 1jba h VAL 61 Cb 0.46 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1jba h VAL 61 CO 0.08 0.16 0.17 -0.08 0.02 0.00 0.00 177.57 177.92 1jba h GLU 62 N 0.85 0.35 -0.81 1.57 4.81 -1.20 -1.42 114.58 118.74 1jba h GLU 62 Ca 0.38 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.69 1jba h GLU 62 Cb 0.35 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.57 1jba h GLU 62 CO -0.15 0.23 0.44 0.00 -0.73 0.00 0.00 179.01 178.80 1jba h ALA 63 N 1.24 1.16 -0.02 2.92 0.00 -0.75 -2.15 119.26 121.65 1jba h ALA 63 Ca 0.18 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1jba h ALA 63 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1jba h ALA 63 CO -0.16 0.03 -0.21 1.98 0.00 0.00 0.00 179.25 180.89 1jba h MET 64 N 0.71 -0.24 -1.01 0.00 1.85 -0.99 0.66 114.93 115.92 1jba h MET 64 Ca 0.40 0.02 0.33 0.00 -0.61 0.00 0.00 59.70 59.84 1jba h MET 64 Cb 0.43 0.05 -0.15 0.00 0.43 0.00 0.00 31.60 32.36 1jba h MET 64 CO -0.28 -0.16 0.57 0.35 -0.40 0.00 0.00 176.91 177.00 1jba h PHE 65 N -0.25 0.92 0.01 1.39 3.04 -1.24 1.98 116.94 122.79 1jba h PHE 65 Ca 0.01 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 1jba h PHE 65 Cb 0.28 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.55 1jba h PHE 65 CO -0.45 -0.20 -0.01 -0.09 -2.02 0.00 0.00 178.31 175.54 1jba h ARG 66 N 0.29 -0.01 0.00 1.11 1.12 -0.29 0.03 114.38 116.63 1jba h ARG 66 Ca 0.75 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.62 1jba h ARG 66 Cb 1.74 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.70 1jba h ARG 66 CO -0.62 -0.01 0.00 0.00 -3.11 0.00 0.00 179.97 176.24 1jba n ALA 67 N -2.09 2.04 -0.54 2.80 0.00 -0.38 -4.17 120.51 118.19 1jba n ALA 67 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1jba n ALA 67 Cb 0.01 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 -1.45 0.00 -2.21 0.00 7.35 0.66 -4.68 117.46 117.13 1jba n PHE 68 Ca 0.07 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.41 1jba n PHE 68 Cb 0.24 -0.11 0.00 0.00 0.35 0.00 0.00 39.48 39.97 1jba n PHE 68 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1jba s ASP 69 N -2.17 5.72 0.00 -2.13 2.15 -0.02 -4.89 116.67 115.33 1jba s ASP 69 Ca 0.00 2.10 0.00 0.00 0.43 0.00 0.00 52.55 55.08 1jba s ASP 69 Cb 0.00 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1jba s ASP 69 CO 0.00 -1.22 0.00 1.07 -0.17 0.00 0.00 175.17 174.85 1jba n THR 70 N -1.46 0.00 -1.93 1.71 5.66 -1.26 -4.66 114.28 112.34 1jba n THR 70 Ca 0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1jba n THR 70 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1jba n THR 70 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1jba n ASN 71 N 0.00 -0.69 -3.24 1.09 6.94 -1.26 -2.26 115.26 115.84 1jba n ASN 71 Ca 0.00 0.35 -0.20 0.00 -0.02 0.00 0.00 54.58 54.71 1jba n ASN 71 Cb 0.00 -0.75 0.02 0.00 -2.36 0.00 0.00 39.78 36.69 1jba n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jba n GLY 72 N -0.35 -0.57 0.00 4.83 0.00 -1.26 -4.89 105.19 102.96 1jba n GLY 72 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 0.26 0.00 -1.88 1.61 5.75 -0.96 -5.00 116.55 116.34 1jba n ASP 73 Ca -0.02 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.59 1jba n ASP 73 Cb 0.53 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.58 1jba n ASP 73 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1jba n ASN 74 N -0.48 -4.57 -3.90 -1.12 5.15 -1.26 -4.92 115.26 104.15 1jba n ASN 74 Ca 0.00 0.27 -0.19 0.00 -0.60 0.00 0.00 54.58 54.06 1jba n ASN 74 Cb 0.00 -4.00 -0.16 0.00 -0.53 0.00 0.00 39.78 35.08 1jba n ASN 74 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1jba s THR 75 N -2.58 0.50 -0.58 -0.44 -4.23 -1.26 -4.81 115.64 102.25 1jba s THR 75 Ca 0.00 -0.13 -0.17 0.00 -1.18 0.00 0.00 61.69 60.21 1jba s THR 75 Cb 0.00 -0.52 0.13 0.00 1.34 0.00 0.00 72.50 73.45 1jba s THR 75 CO 0.00 0.21 0.58 -0.63 -0.54 0.00 0.00 174.62 174.24 1jba s ILE 76 N 0.77 5.12 0.57 2.99 -1.09 -0.68 -4.92 121.20 123.95 1jba s ILE 76 Ca -0.10 -1.41 -0.16 0.00 -2.23 0.00 0.00 60.65 56.75 1jba s ILE 76 Cb -0.13 -4.40 -0.05 0.00 -1.58 0.00 0.00 42.46 36.31 1jba s ILE 76 CO 0.00 -0.96 1.04 -0.62 -1.23 0.00 0.00 174.94 173.17 1jba s ASP 77 N 3.53 5.99 0.18 3.58 2.15 -1.26 -1.95 116.67 128.89 1jba s ASP 77 Ca 0.07 1.77 -0.23 0.00 0.43 0.00 0.00 52.55 54.59 1jba s ASP 77 Cb -0.27 -2.53 0.09 0.00 -0.30 0.00 0.00 42.92 39.91 1jba s ASP 77 CO 0.03 -1.02 1.57 0.15 -0.17 0.00 0.00 175.17 175.73 1jba h PHE 78 N 0.59 -1.13 -0.07 -5.34 3.57 -1.92 0.63 116.94 113.27 1jba h PHE 78 Ca -0.47 0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.15 1jba h PHE 78 Cb 1.21 0.58 -0.04 0.00 2.79 0.00 0.00 35.95 40.50 1jba h PHE 78 CO 0.60 -0.40 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.04 1jba h LEU 79 N -0.17 -0.47 -0.51 0.59 -0.00 -1.92 0.28 115.31 113.11 1jba h LEU 79 Ca 0.22 0.08 0.08 0.00 -0.00 0.00 0.00 57.88 58.26 1jba h LEU 79 Cb 0.56 0.21 -0.07 0.00 -0.00 0.00 0.00 40.66 41.37 1jba h LEU 79 CO -0.72 -0.21 0.13 -0.08 -0.00 0.00 0.00 178.44 177.56 1jba h GLU 80 N -0.22 0.28 0.39 1.13 4.81 -1.33 0.39 114.58 120.03 1jba h GLU 80 Ca 0.08 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1jba h GLU 80 Cb 0.33 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1jba h GLU 80 CO -0.21 0.18 -0.30 -0.92 -0.73 0.00 0.00 179.01 177.04 1jba h TYR 81 N 0.28 -0.81 -0.95 0.92 3.20 0.92 -1.87 116.97 118.65 1jba h TYR 81 Ca 0.25 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.32 1jba h TYR 81 Cb 0.32 0.30 -0.11 0.00 1.54 0.00 0.00 36.73 38.78 1jba h TYR 81 CO -0.20 -0.42 0.53 0.28 -1.64 0.00 0.00 178.16 176.71 1jba h VAL 82 N -0.66 0.63 -0.91 1.81 2.07 -0.69 0.63 116.25 119.12 1jba h VAL 82 Ca -0.05 -0.22 0.18 0.00 0.82 0.00 0.00 66.70 67.44 1jba h VAL 82 Cb 0.55 -0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 1jba h VAL 82 CO 0.01 0.11 0.59 0.00 0.02 0.00 0.00 177.57 178.31 1jba h ALA 83 N 1.66 2.02 -0.35 1.67 0.00 0.36 0.12 119.26 124.75 1jba h ALA 83 Ca 0.57 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.48 1jba h ALA 83 Cb 0.95 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1jba h ALA 83 CO -0.43 -0.31 0.12 0.00 0.00 0.00 0.00 179.25 178.63 1jba h ALA 84 N 1.61 0.45 -0.11 0.00 0.00 0.11 -2.43 119.26 118.89 1jba h ALA 84 Ca 0.48 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.26 1jba h ALA 84 Cb 1.00 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1jba h ALA 84 CO -0.22 0.08 -0.32 -0.07 0.00 0.00 0.00 179.25 178.73 1jba h LEU 85 N 0.41 -1.01 -1.44 0.00 3.38 -0.52 0.99 115.31 117.11 1jba h LEU 85 Ca 0.11 0.12 0.36 0.00 0.09 0.00 0.00 57.88 58.56 1jba h LEU 85 Cb 0.23 0.40 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 1jba h LEU 85 CO -0.01 -0.27 0.78 0.78 0.09 0.00 0.00 178.44 179.82 1jba h ASN 86 N -0.32 0.31 0.39 -0.43 2.35 -1.43 2.76 115.58 119.22 1jba h ASN 86 Ca 0.02 0.10 -0.18 0.00 -0.55 0.00 0.00 56.30 55.69 1jba h ASN 86 Cb 0.38 0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1jba h ASN 86 CO -0.27 -0.05 -0.77 0.25 -1.65 0.00 0.00 177.43 174.95 1jba h LEU 87 N 0.21 0.36 -3.79 1.61 7.12 0.35 -2.20 115.31 118.97 1jba h LEU 87 Ca 0.70 -0.25 -0.45 0.00 0.13 0.00 0.00 57.88 58.01 1jba h LEU 87 Cb 2.11 -0.11 -0.37 0.00 -0.53 0.00 0.00 40.66 41.75 1jba h LEU 87 CO -0.33 1.00 -0.81 0.52 -0.13 0.00 0.00 178.44 178.69 1jba n VAL 88 N -3.78 2.35 -0.77 1.05 0.31 0.42 -4.62 118.33 113.29 1jba n VAL 88 Ca -0.04 -3.94 0.00 0.00 -0.01 0.00 0.00 64.34 60.35 1jba n VAL 88 Cb 0.73 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 1jba n VAL 88 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1jba n LEU 89 N -0.73 0.00 -3.74 7.52 7.94 0.82 -4.86 117.00 123.95 1jba n LEU 89 Ca 0.37 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.14 1jba n LEU 89 Cb 0.92 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.73 1jba n LEU 89 CO 0.31 0.00 -0.19 -0.13 -1.11 0.00 0.00 177.39 176.27 1jba s ARG 90 N 0.00 0.13 0.20 1.96 1.81 -0.83 -4.90 118.95 117.32 1jba s ARG 90 Ca 0.00 0.43 -0.28 0.00 -1.72 0.00 0.00 55.73 54.16 1jba s ARG 90 Cb 0.00 -0.16 -0.08 0.00 -0.45 0.00 0.00 34.95 34.25 1jba s ARG 90 CO 0.00 -0.17 0.87 0.20 -0.68 0.00 0.00 175.30 175.52 1jba s GLY 91 N 1.25 3.03 0.00 -3.53 0.00 -1.26 -4.52 107.32 102.29 1jba s GLY 91 Ca -0.09 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.14 1jba s GLY 91 CO -0.07 1.07 0.00 2.41 0.00 0.00 0.00 173.10 176.51 1jba n THR 92 N 1.59 0.00 -1.08 0.90 -1.04 -1.26 -5.15 114.28 108.24 1jba n THR 92 Ca -0.03 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.68 1jba n THR 92 Cb 0.48 0.00 0.17 0.00 -1.82 0.00 0.00 70.33 69.15 1jba n THR 92 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1jba s LEU 93 N 0.00 1.88 0.00 -4.42 2.96 -1.26 -4.82 118.68 113.02 1jba s LEU 93 Ca 0.00 1.43 0.00 0.00 -0.22 0.00 0.00 54.13 55.34 1jba s LEU 93 Cb 0.00 -3.71 0.00 0.00 0.50 0.00 0.00 46.19 42.98 1jba s LEU 93 CO 0.00 -3.04 0.86 -0.62 -1.32 0.00 0.00 176.35 172.23 1jba n GLU 94 N -4.14 0.00 -0.27 1.98 1.02 -1.26 -3.45 120.64 114.52 1jba n GLU 94 Ca 0.06 0.37 0.23 0.00 -0.02 0.00 0.00 57.16 57.80 1jba n GLU 94 Cb 0.56 -1.56 0.37 0.00 -0.02 0.00 0.00 31.44 30.79 1jba n GLU 94 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1jba n HIS 95 N -1.36 0.31 -0.06 -0.32 8.25 -1.26 0.16 115.22 120.94 1jba n HIS 95 Ca 0.00 0.31 -0.09 0.00 -0.26 0.00 0.00 57.72 57.68 1jba n HIS 95 Cb 0.06 -0.66 -0.02 0.00 1.12 0.00 0.00 29.99 30.48 1jba n HIS 95 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1jba h LYS 96 N 0.00 0.28 0.20 -0.41 1.63 -1.90 -0.61 116.57 115.75 1jba h LYS 96 Ca 0.47 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 60.27 1jba h LYS 96 Cb 1.60 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 33.13 1jba h LYS 96 CO -0.20 0.18 -0.36 1.25 -3.45 0.00 0.00 179.45 176.87 1jba h LEU 97 N 0.29 -1.01 0.04 5.20 7.12 0.13 0.82 115.31 127.89 1jba h LEU 97 Ca 0.09 0.11 0.02 0.00 0.13 0.00 0.00 57.88 58.23 1jba h LEU 97 Cb -0.00 0.37 -0.03 0.00 -0.53 0.00 0.00 40.66 40.47 1jba h LEU 97 CO -0.04 -0.46 -0.16 0.11 -0.13 0.00 0.00 178.44 177.75 1jba h LYS 98 N -0.64 -0.28 -0.80 1.25 1.57 -1.57 -0.21 116.57 115.89 1jba h LYS 98 Ca 0.01 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1jba h LYS 98 Cb 0.63 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 1jba h LYS 98 CO -0.16 -0.19 0.53 2.35 -0.57 0.00 0.00 179.45 181.41 1jba h TRP 99 N -0.29 0.96 -0.27 -1.35 7.01 -0.84 -2.03 115.95 119.14 1jba h TRP 99 Ca 0.04 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 1jba h TRP 99 Cb 0.34 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 1jba h TRP 99 CO -0.20 0.57 0.12 1.15 -2.79 0.00 0.00 178.44 177.28 1jba h THR 100 N 1.00 1.16 -0.74 2.65 2.02 0.14 -2.57 112.91 116.58 1jba h THR 100 Ca 0.31 -0.48 0.03 0.00 0.77 0.00 0.00 66.41 67.04 1jba h THR 100 Cb 0.01 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1jba h THR 100 CO -0.09 0.17 0.49 0.15 0.37 0.00 0.00 175.52 176.61 1jba h PHE 101 N 0.29 0.87 0.17 3.16 3.04 -0.44 -2.58 116.94 121.44 1jba h PHE 101 Ca 0.09 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.07 1jba h PHE 101 Cb 0.15 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.36 1jba h PHE 101 CO -0.01 0.52 -0.17 0.87 -2.02 0.00 0.00 178.31 177.49 1jba h LYS 102 N 0.91 -0.36 -0.92 1.11 1.57 -0.99 -2.23 116.57 115.66 1jba h LYS 102 Ca 0.29 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.21 1jba h LYS 102 Cb 0.03 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 1jba h LYS 102 CO -0.08 -0.24 0.55 0.82 -0.57 0.00 0.00 179.45 179.93 1jba h ILE 103 N -0.37 0.88 0.00 1.86 1.08 -1.25 -0.58 117.51 119.13 1jba h ILE 103 Ca 0.00 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1jba h ILE 103 Cb 0.36 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.05 1jba h ILE 103 CO -0.05 0.16 0.00 -1.22 -0.69 0.00 0.00 178.15 176.35 1jba n TYR 104 N -4.70 0.00 -2.74 1.37 4.01 -0.84 -4.14 117.16 110.11 1jba n TYR 104 Ca 0.17 -0.83 -0.04 0.00 -0.16 0.00 0.00 57.90 57.04 1jba n TYR 104 Cb 0.34 -0.44 0.02 0.00 -0.31 0.00 0.00 39.34 38.94 1jba n TYR 104 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1jba n ASP 105 N 1.46 -3.10 0.04 7.72 -0.08 -0.23 -4.78 116.55 117.58 1jba n ASP 105 Ca 0.00 -2.58 -0.17 0.00 -1.51 0.00 0.00 54.79 50.54 1jba n ASP 105 Cb 0.44 1.58 -0.07 0.00 2.34 0.00 0.00 41.12 45.41 1jba n ASP 105 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1jba h LYS 106 N 4.84 0.58 0.00 -0.67 3.64 -1.77 -3.13 116.57 120.05 1jba h LYS 106 Ca 0.04 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1jba h LYS 106 Cb 1.12 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1jba h LYS 106 CO -0.01 1.21 0.00 0.38 -2.27 0.00 0.00 179.45 178.76 1jba h ASP 107 N 0.34 0.00 -5.49 4.20 3.04 -1.95 -3.48 116.42 113.09 1jba h ASP 107 Ca -0.10 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.70 1jba h ASP 107 Cb 1.59 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.84 1jba h ASP 107 CO 0.18 0.00 -1.03 -1.14 -2.04 0.00 0.00 179.24 175.21 1jba n ARG 108 N -2.62 -2.94 0.00 4.15 3.00 -1.19 -4.97 116.66 112.09 1jba n ARG 108 Ca -0.00 2.41 0.00 0.00 -0.00 0.00 0.00 57.85 60.26 1jba n ARG 108 Cb 0.17 -3.74 0.00 0.00 0.00 0.00 0.00 32.46 28.89 1jba n ARG 108 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1jba n ASN 109 N 1.46 0.00 0.00 6.15 0.23 -1.26 -4.99 115.26 116.85 1jba n ASN 109 Ca -0.14 -0.81 0.00 0.00 -0.53 0.00 0.00 54.58 53.10 1jba n ASN 109 Cb 0.31 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 1jba n ASN 109 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jba n GLY 110 N 0.00 0.59 3.30 4.83 0.00 -1.26 -5.04 105.19 107.61 1jba n GLY 110 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.87 1.35 0.10 0.00 1.01 -0.30 -4.88 121.20 114.61 1jba s ILE 112 Ca 0.08 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.74 1jba s ILE 112 Cb 0.03 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1jba s ILE 112 CO -0.08 0.16 -0.05 -1.81 0.00 0.00 0.00 174.94 173.16 1jba s ASP 113 N -0.97 1.01 0.64 3.58 1.11 -1.26 -2.58 116.67 118.19 1jba s ASP 113 Ca 0.05 -1.03 0.15 0.00 0.18 0.00 0.00 52.55 51.91 1jba s ASP 113 Cb -0.08 0.12 0.71 0.00 1.07 0.00 0.00 42.92 44.74 1jba s ASP 113 CO 0.01 -0.51 1.36 0.08 1.18 0.00 0.00 175.17 177.29 1jba h ARG 114 N 2.97 0.00 0.25 8.23 0.11 -1.98 0.40 114.38 124.35 1jba h ARG 114 Ca -0.35 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.39 1jba h ARG 114 Cb 1.17 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.28 1jba h ARG 114 CO 0.65 0.00 -1.52 1.96 0.10 0.00 0.00 179.97 181.16 1jba h GLN 115 N 0.00 0.52 -0.40 0.08 7.50 -1.97 -2.35 115.11 118.49 1jba h GLN 115 Ca 0.13 -0.89 -0.02 0.00 0.50 0.00 0.00 58.65 58.38 1jba h GLN 115 Cb 1.84 0.33 -0.02 0.00 0.05 0.00 0.00 27.48 29.68 1jba h GLN 115 CO -0.00 1.42 0.18 0.93 -1.50 0.00 0.00 178.83 179.87 1jba h GLU 116 N 0.14 0.58 0.22 1.46 5.08 -0.58 -2.01 114.58 119.47 1jba h GLU 116 Ca -0.27 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1jba h GLU 116 Cb 2.16 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.31 1jba h GLU 116 CO 0.26 0.52 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.61 1jba h LEU 117 N 0.50 -0.25 -1.61 1.33 3.38 -1.65 -1.11 115.31 115.90 1jba h LEU 117 Ca 0.14 -0.14 0.37 0.00 0.09 0.00 0.00 57.88 58.34 1jba h LEU 117 Cb 0.13 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1jba h LEU 117 CO -0.02 0.26 1.14 0.25 0.09 0.00 0.00 178.44 180.16 1jba h LEU 118 N -1.02 0.00 0.22 1.67 5.85 -1.49 2.25 115.31 122.79 1jba h LEU 118 Ca -0.03 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.35 1jba h LEU 118 Cb 0.38 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.44 1jba h LEU 118 CO 0.05 0.00 -1.56 0.44 -0.34 0.00 0.00 178.44 177.03 1jba h ASP 119 N 0.00 0.73 0.26 1.25 5.19 -1.25 -2.81 116.42 119.80 1jba h ASP 119 Ca 0.61 -0.93 -0.01 0.00 -0.62 0.00 0.00 57.03 56.08 1jba h ASP 119 Cb 2.89 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 42.16 1jba h ASP 119 CO -0.01 1.73 -0.13 0.40 -3.12 0.00 0.00 179.24 178.12 1jba h ILE 120 N 0.09 0.63 -0.59 0.35 1.08 0.49 -2.69 117.51 116.87 1jba h ILE 120 Ca -0.29 -0.86 0.12 0.00 -0.39 0.00 0.00 64.86 63.44 1jba h ILE 120 Cb 2.11 1.00 -0.11 0.00 -3.07 0.00 0.00 36.82 36.75 1jba h ILE 120 CO 0.23 0.14 -0.14 0.58 -0.69 0.00 0.00 178.15 178.27 1jba h VAL 121 N -0.89 0.42 -1.03 1.67 2.07 -0.56 1.40 116.25 119.32 1jba h VAL 121 Ca -0.04 -0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.74 1jba h VAL 121 Cb 0.51 0.41 -0.10 0.00 -1.52 0.00 0.00 31.29 30.59 1jba h VAL 121 CO 0.06 0.00 0.66 -0.08 0.02 0.00 0.00 177.57 178.23 1jba h GLU 122 N 0.01 0.41 0.06 1.57 4.81 -1.49 0.36 114.58 120.30 1jba h GLU 122 Ca 0.28 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1jba h GLU 122 Cb 0.43 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1jba h GLU 122 CO -0.60 0.27 -0.03 0.77 -0.73 0.00 0.00 179.01 178.69 1jba h SER 123 N 0.42 -0.07 -0.68 1.04 0.02 0.22 -0.36 113.55 114.13 1jba h SER 123 Ca 0.59 -0.31 0.08 0.00 -0.84 0.00 0.00 61.79 61.31 1jba h SER 123 Cb 1.46 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.96 1jba h SER 123 CO -0.31 0.28 0.35 0.40 -1.14 0.00 0.00 176.83 176.41 1jba h ILE 124 N -0.43 0.90 -0.31 3.27 5.03 0.12 0.23 117.51 126.32 1jba h ILE 124 Ca -0.01 -0.22 -0.05 0.00 -0.12 0.00 0.00 64.86 64.47 1jba h ILE 124 Cb 0.38 0.22 -0.02 0.00 -3.03 0.00 0.00 36.82 34.37 1jba h ILE 124 CO 0.01 0.11 -0.01 1.88 -0.68 0.00 0.00 178.15 179.47 1jba h TYR 125 N 0.63 0.49 -0.66 1.37 -1.99 -0.36 -2.03 116.97 114.43 1jba h TYR 125 Ca 0.32 -0.05 0.02 0.00 2.00 0.00 0.00 58.73 61.03 1jba h TYR 125 Cb 0.28 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 38.83 1jba h TYR 125 CO -0.10 0.49 0.43 -0.22 -0.00 0.00 0.00 178.16 178.77 1jba h LYS 126 N 0.46 0.81 -0.45 4.88 3.64 0.84 0.98 116.57 127.72 1jba h LYS 126 Ca 0.10 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 1jba h LYS 126 Cb 0.31 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1jba h LYS 126 CO 0.01 0.53 -0.21 1.25 -2.27 0.00 0.00 179.45 178.76 1jba h LEU 127 N 0.83 0.97 -0.19 5.20 5.85 -0.92 -2.40 115.31 124.65 1jba h LEU 127 Ca 0.25 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1jba h LEU 127 Cb -0.00 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.76 1jba h LEU 127 CO -0.06 1.16 0.00 1.17 -0.34 0.00 0.00 178.44 180.36 1jba n LYS 128 N -4.15 0.12 -0.04 1.25 4.81 -0.62 -1.37 118.16 118.16 1jba n LYS 128 Ca -0.01 0.23 -0.00 0.00 -0.87 0.00 0.00 58.31 57.66 1jba n LYS 128 Cb 0.45 -1.68 -0.00 0.00 0.02 0.00 0.00 35.03 33.83 1jba n LYS 128 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1jba h LYS 129 N 0.00 0.00 0.00 1.64 1.63 -0.35 -3.35 116.57 116.14 1jba h LYS 129 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1jba h LYS 129 Cb 0.46 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1jba h LYS 129 CO 0.00 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 176.00 1jba n ALA 130 N -2.63 2.30 -1.00 5.00 0.00 -1.05 -3.98 120.51 119.14 1jba n ALA 130 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1jba n ALA 130 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 -0.83 -0.04 -3.68 0.00 2.88 -1.26 -5.10 113.62 105.58 1jba n SER 132 Ca 0.00 -0.95 -0.10 0.00 -1.33 0.00 0.00 58.87 56.49 1jba n SER 132 Cb 0.00 0.01 -0.09 0.00 -0.75 0.00 0.00 64.21 63.38 1jba n SER 132 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1jba s VAL 133 N 0.00 -0.01 0.01 2.46 -7.23 -1.26 -5.08 120.40 109.29 1jba s VAL 133 Ca 0.00 0.04 -0.03 0.00 -1.81 0.00 0.00 61.98 60.18 1jba s VAL 133 Cb 0.00 -0.77 -0.02 0.00 0.56 0.00 0.00 36.38 36.16 1jba s VAL 133 CO 0.00 0.02 1.04 -0.33 -0.31 0.00 0.00 175.10 175.51 1jba h GLU 134 N 6.67 -0.11 -4.43 4.82 5.08 -1.87 -3.41 114.58 121.33 1jba h GLU 134 Ca -0.33 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 1jba h GLU 134 Cb 1.20 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 1jba h GLU 134 CO 0.22 -0.08 -0.11 1.55 -1.00 0.00 0.00 179.01 179.60 1jba n VAL 135 N -2.32 0.00 -1.53 3.13 3.14 -1.26 -4.63 118.33 114.85 1jba n VAL 135 Ca -0.01 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.06 1jba n VAL 135 Cb 0.05 -0.06 -0.09 0.00 -1.06 0.00 0.00 33.84 32.67 1jba n VAL 135 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1jba n GLU 136 N -2.14 0.54 0.08 1.45 1.02 -1.26 -4.72 120.64 115.61 1jba n GLU 136 Ca 0.01 -0.20 -0.09 0.00 -0.02 0.00 0.00 57.16 56.87 1jba n GLU 136 Cb 0.38 -2.71 -0.08 0.00 -0.02 0.00 0.00 31.44 29.01 1jba n GLU 136 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jba h ALA 137 N 15.10 0.39 -0.63 0.62 0.00 -1.89 -3.41 119.26 129.43 1jba h ALA 137 Ca -0.10 -0.84 -0.71 0.00 0.00 0.00 0.00 54.91 53.26 1jba h ALA 137 Cb 1.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1jba h ALA 137 CO 1.24 1.08 1.38 -0.85 0.00 0.00 0.00 179.25 182.11 1jba n GLU 138 N -3.49 0.63 -3.60 0.00 0.28 -1.26 -2.68 120.64 110.52 1jba n GLU 138 Ca -0.03 0.17 -0.34 0.00 -0.16 0.00 0.00 57.16 56.80 1jba n GLU 138 Cb 0.90 -2.06 0.03 0.00 1.43 0.00 0.00 31.44 31.73 1jba n GLU 138 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1jba n GLN 139 N 7.92 -1.78 -3.61 3.44 6.02 -1.26 -4.97 117.38 123.15 1jba n GLN 139 Ca 0.47 1.17 -0.07 0.00 -0.01 0.00 0.00 57.00 58.56 1jba n GLN 139 Cb 0.12 -2.04 -0.05 0.00 1.02 0.00 0.00 30.24 29.29 1jba n GLN 139 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1jba s GLN 140 N -3.30 0.36 0.96 -1.09 0.74 -1.09 -5.14 119.66 111.09 1jba s GLN 140 Ca 0.25 0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.76 1jba s GLN 140 Cb -0.03 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.25 1jba s GLN 140 CO 0.88 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.92 1jba n GLY 141 N 0.68 0.10 0.26 2.59 0.00 -1.26 -2.99 105.19 104.57 1jba n GLY 141 Ca -0.06 -0.60 0.17 0.00 0.00 0.00 0.00 46.02 45.53 1jba n GLY 141 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jba h LYS 142 N 0.00 0.00 -6.46 1.61 1.63 -1.99 -3.45 116.57 107.91 1jba h LYS 142 Ca 0.00 0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 59.30 1jba h LYS 142 Cb 0.00 0.00 0.24 0.00 -0.60 0.00 0.00 32.23 31.87 1jba h LYS 142 CO 0.00 0.00 -1.39 1.28 -3.45 0.00 0.00 179.45 175.89 1jba n LEU 143 N -3.01 -2.51 0.00 5.20 4.77 -1.16 -5.00 117.00 115.30 1jba n LEU 143 Ca 0.01 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1jba n LEU 143 Cb 0.30 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 1jba n LEU 143 CO 0.27 -3.65 0.00 0.00 -1.33 0.00 0.00 177.39 172.67 1jba n LEU 144 N 0.31 0.00 -4.66 2.23 -0.00 -1.26 -4.63 117.00 108.99 1jba n LEU 144 Ca 0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.75 1jba n LEU 144 Cb 0.61 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.95 1jba n LEU 144 CO 0.50 -0.40 -0.35 0.42 -0.00 0.00 0.00 177.39 177.56 1jba s THR 145 N 0.70 3.73 0.31 1.47 -4.23 -1.26 -4.12 115.64 112.24 1jba s THR 145 Ca 0.00 -1.31 0.04 0.00 -1.18 0.00 0.00 61.69 59.24 1jba s THR 145 Cb 0.00 -2.84 0.30 0.00 1.34 0.00 0.00 72.50 71.30 1jba s THR 145 CO 0.00 -0.03 1.86 -0.65 -0.54 0.00 0.00 174.62 175.26 1jba h PRO 146 N 2.98 0.85 0.00 3.99 0.10 -1.98 0.31 132.00 138.26 1jba h PRO 146 Ca -0.47 -0.05 0.00 0.00 0.10 0.00 0.00 66.00 65.57 1jba h PRO 146 Cb 1.19 -0.19 0.00 0.00 0.10 0.00 0.00 31.00 32.10 1jba h PRO 146 CO 0.57 0.56 0.00 1.05 0.10 0.00 0.00 178.00 180.29 1jba h GLU 147 N 0.88 0.00 0.32 1.05 4.11 -1.95 -3.06 114.58 115.93 1jba h GLU 147 Ca 0.46 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.88 1jba h GLU 147 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1jba h GLU 147 CO -0.23 0.00 -0.16 1.49 0.07 0.00 0.00 179.01 180.19 1jba h GLU 148 N 0.00 -0.42 -0.69 1.06 4.57 -0.76 -2.65 114.58 115.69 1jba h GLU 148 Ca 0.00 0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.34 1jba h GLU 148 Cb 0.24 0.10 -0.09 0.00 -0.16 0.00 0.00 28.75 28.84 1jba h GLU 148 CO 0.00 -0.15 0.21 -0.39 -1.18 0.00 0.00 179.01 177.50 1jba h VAL 149 N -1.03 0.62 -0.51 0.32 -1.51 -1.54 0.39 116.25 112.99 1jba h VAL 149 Ca -0.04 -0.12 0.07 0.00 -1.23 0.00 0.00 66.70 65.38 1jba h VAL 149 Cb 0.46 0.26 -0.06 0.00 -2.13 0.00 0.00 31.29 29.82 1jba h VAL 149 CO 0.07 0.06 0.19 0.58 -1.23 0.00 0.00 177.57 177.25 1jba h VAL 150 N 0.34 0.84 -0.02 7.19 2.07 -1.61 0.68 116.25 125.75 1jba h VAL 150 Ca 0.37 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1jba h VAL 150 Cb 0.58 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1jba h VAL 150 CO -0.42 0.07 0.01 0.44 0.02 0.00 0.00 177.57 177.69 1jba h ASP 151 N 0.38 0.00 0.20 0.57 5.19 -0.58 0.40 116.42 122.58 1jba h ASP 151 Ca 0.24 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.33 1jba h ASP 151 Cb 0.25 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.78 1jba h ASP 151 CO -0.24 0.00 -1.56 0.03 -3.12 0.00 0.00 179.24 174.35 1jba h ARG 152 N 0.00 0.43 -0.37 3.56 3.08 0.44 -2.71 114.38 118.80 1jba h ARG 152 Ca 0.01 -0.73 -0.11 0.00 0.07 0.00 0.00 59.98 59.22 1jba h ARG 152 Cb 0.04 0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1jba h ARG 152 CO -0.00 1.35 -0.24 0.82 -1.07 0.00 0.00 179.97 180.83 1jba h ILE 153 N 0.04 1.27 0.34 2.04 2.04 1.00 -0.14 117.51 124.10 1jba h ILE 153 Ca -0.30 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.20 1jba h ILE 153 Cb 2.06 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 1jba h ILE 153 CO 0.20 0.44 -0.16 0.15 0.00 0.00 0.00 178.15 178.78 1jba h PHE 154 N 0.64 -0.42 -0.74 1.37 3.04 -0.34 -2.71 116.94 117.78 1jba h PHE 154 Ca 0.09 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.08 1jba h PHE 154 Cb 0.74 0.14 -0.05 0.00 2.56 0.00 0.00 35.95 39.33 1jba h PHE 154 CO 0.04 -0.09 0.44 1.25 -2.02 0.00 0.00 178.31 177.93 1jba h LEU 155 N -0.93 0.69 -0.53 0.59 5.85 -1.51 -2.17 115.31 117.32 1jba h LEU 155 Ca -0.05 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.79 1jba h LEU 155 Cb 0.52 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.35 1jba h LEU 155 CO 0.08 0.46 0.08 -0.07 -0.34 0.00 0.00 178.44 178.64 1jba h LEU 156 N 0.83 -0.06 -6.54 2.25 3.38 -1.04 -2.92 115.31 111.21 1jba h LEU 156 Ca 0.32 0.10 -0.76 0.00 0.09 0.00 0.00 57.88 57.64 1jba h LEU 156 Cb 0.13 0.16 -0.31 0.00 0.09 0.00 0.00 40.66 40.73 1jba h LEU 156 CO -0.16 -0.01 0.48 0.55 0.09 0.00 0.00 178.44 179.40 1jba n VAL 157 N -5.15 4.80 -3.53 1.22 3.14 -0.82 -4.97 118.33 113.02 1jba n VAL 157 Ca 0.06 -5.80 -0.00 0.00 -2.96 0.00 0.00 64.34 55.65 1jba n VAL 157 Cb 0.27 -1.93 0.00 0.00 -1.06 0.00 0.00 33.84 31.12 1jba n VAL 157 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1jba n ASP 158 N 0.85 -0.04 0.07 6.55 2.03 -1.10 -4.78 116.55 120.13 1jba n ASP 158 Ca 0.31 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.60 1jba n ASP 158 Cb 0.34 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 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 -0.02 0.00 0.04 -0.67 4.07 -1.26 -4.90 120.64 117.90 1jba n GLU 159 Ca -0.00 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.12 1jba n GLU 159 Cb 0.02 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.49 1jba n GLU 159 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1jba n ASN 160 N -2.78 0.09 -1.28 4.31 0.23 -1.26 -4.68 115.26 109.89 1jba n ASN 160 Ca 0.00 0.39 -0.07 0.00 -0.53 0.00 0.00 54.58 54.36 1jba n ASN 160 Cb 0.00 -0.38 -0.03 0.00 -2.08 0.00 0.00 39.78 37.29 1jba n ASN 160 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jba n GLY 161 N -1.32 0.65 0.47 4.83 0.00 -1.26 -4.77 105.19 103.79 1jba n GLY 161 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1jba n GLY 161 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1jba h ASP 162 N 0.00 -1.04 0.00 1.61 2.03 -2.02 -3.47 116.42 113.53 1jba h ASP 162 Ca -0.15 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 1jba h ASP 162 Cb 0.52 0.28 0.00 0.00 -0.83 0.00 0.00 39.33 39.31 1jba h ASP 162 CO 0.22 -0.70 0.00 0.61 -1.03 0.00 0.00 179.24 178.35 1jba n GLY 163 N -1.59 0.46 2.71 7.15 0.00 -1.26 -5.14 105.19 107.53 1jba n GLY 163 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.05 -0.31 1.61 2.00 -1.26 -4.87 119.66 116.78 1jba s GLN 164 Ca 0.00 0.42 -0.03 0.00 -2.00 0.00 0.00 55.36 53.75 1jba s GLN 164 Cb 0.00 -0.46 0.04 0.00 0.80 0.00 0.00 33.01 33.39 1jba s GLN 164 CO 0.00 -0.33 0.02 -1.17 -0.50 0.00 0.00 175.29 173.32 1jba s LEU 165 N 2.20 3.95 0.62 3.68 2.96 -1.07 -4.96 118.68 126.07 1jba s LEU 165 Ca 0.04 -1.19 0.07 0.00 -0.22 0.00 0.00 54.13 52.84 1jba s LEU 165 Cb -0.12 -1.75 0.10 0.00 0.50 0.00 0.00 46.19 44.92 1jba s LEU 165 CO -0.04 -0.26 0.86 -0.44 -1.32 0.00 0.00 176.35 175.15 1jba s SER 166 N 1.31 4.86 0.31 3.68 0.01 -1.26 -1.15 113.70 121.44 1jba s SER 166 Ca -0.04 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1jba s SER 166 Cb -0.19 0.32 0.53 0.00 0.21 0.00 0.00 66.02 66.88 1jba s SER 166 CO -0.00 -1.53 1.93 0.25 0.41 0.00 0.00 173.24 174.31 1jba h LEU 167 N -0.04 0.89 -0.19 2.44 5.85 -1.98 -1.94 115.31 120.34 1jba h LEU 167 Ca -0.30 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.47 1jba h LEU 167 Cb 1.28 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 1jba h LEU 167 CO 0.40 0.60 -0.27 -1.13 -0.34 0.00 0.00 178.44 177.69 1jba h ASN 168 N 1.03 -0.85 -0.57 1.25 -1.24 -1.97 -0.57 115.58 112.66 1jba h ASN 168 Ca 0.35 0.14 -0.09 0.00 0.71 0.00 0.00 56.30 57.41 1jba h ASN 168 Cb 0.10 0.38 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 1jba h ASN 168 CO -0.12 -0.31 0.00 -0.33 -1.29 0.00 0.00 177.43 175.39 1jba h GLU 169 N -0.31 1.02 0.00 6.67 5.08 -1.85 -2.60 114.58 122.59 1jba h GLU 169 Ca 0.12 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1jba h GLU 169 Cb 0.49 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1jba h GLU 169 CO -0.36 1.00 0.00 0.34 -1.00 0.00 0.00 179.01 178.99 1jba n PHE 170 N -4.18 0.00 -0.35 4.33 7.35 -0.74 -1.80 117.46 122.07 1jba n PHE 170 Ca 0.03 0.00 0.25 0.00 -0.76 0.00 0.00 57.45 56.97 1jba n PHE 170 Cb 0.34 -0.36 0.49 0.00 0.35 0.00 0.00 39.48 40.30 1jba n PHE 170 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1jba h VAL 171 N 0.00 0.32 0.00 -2.13 -1.51 -1.24 1.67 116.25 113.36 1jba h VAL 171 Ca 0.00 -0.11 -0.00 0.00 -1.23 0.00 0.00 66.70 65.36 1jba h VAL 171 Cb 0.00 -0.03 -0.00 0.00 -2.13 0.00 0.00 31.29 29.13 1jba h VAL 171 CO 0.00 0.06 -0.02 -0.08 -1.23 0.00 0.00 177.57 176.30 1jba h GLU 172 N 0.32 0.00 0.00 5.19 4.57 -1.26 -0.19 114.58 123.22 1jba h GLU 172 Ca 0.72 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.70 1jba h GLU 172 Cb 1.73 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.29 1jba h GLU 172 CO -0.53 0.02 -1.77 0.41 -1.18 0.00 0.00 179.01 175.95 1jba n GLY 173 N -1.40 -0.41 0.10 1.92 0.00 0.43 -4.17 105.19 101.66 1jba n GLY 173 Ca -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 1jba n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba h ALA 174 N 0.33 0.59 0.00 4.61 0.00 0.18 -2.04 119.26 122.93 1jba h ALA 174 Ca -0.30 -0.71 -0.23 0.00 0.00 0.00 0.00 54.91 53.66 1jba h ALA 174 Cb 1.60 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1jba h ALA 174 CO -0.01 0.98 -1.19 -0.09 0.00 0.00 0.00 179.25 178.94 1jba h ARG 175 N 0.00 0.00 0.00 0.00 2.43 -1.18 -3.41 114.38 112.22 1jba h ARG 175 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1jba h ARG 175 Cb 1.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 1jba h ARG 175 CO 0.10 0.87 0.00 -2.13 -1.51 0.00 0.00 179.97 177.30 1jba n ARG 176 N -3.27 0.00 -0.82 0.20 0.00 -1.23 -4.96 116.66 106.58 1jba n ARG 176 Ca -0.04 0.18 -0.34 0.00 -0.00 0.00 0.00 57.85 57.64 1jba n ARG 176 Cb 0.97 -0.61 0.11 0.00 0.00 0.00 0.00 32.46 32.94 1jba n ARG 176 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1jba n ASP 177 N -1.89 -3.00 0.00 6.15 -0.08 -0.77 -4.94 116.55 112.03 1jba n ASP 177 Ca 0.00 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 1jba n ASP 177 Cb 0.00 -0.94 0.00 0.00 2.34 0.00 0.00 41.12 42.52 1jba n ASP 177 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1jba n LYS 178 N -0.48 1.48 0.08 -0.67 2.85 -1.26 -4.75 118.16 115.41 1jba n LYS 178 Ca 0.02 -0.06 -0.22 0.00 -1.05 0.00 0.00 58.31 56.99 1jba n LYS 178 Cb 0.60 -0.36 -0.15 0.00 -0.65 0.00 0.00 35.03 34.48 1jba n LYS 178 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 177.40 179.70 1jba h TRP 179 N 0.00 0.69 -0.69 5.58 7.01 -1.94 -3.23 115.95 123.36 1jba h TRP 179 Ca 0.00 -0.50 -0.01 0.00 2.11 0.00 0.00 58.89 60.49 1jba h TRP 179 Cb 0.11 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.11 1jba h TRP 179 CO 0.00 1.50 0.39 -0.39 -2.79 0.00 0.00 178.44 177.15 1jba h VAL 180 N -0.12 1.20 -0.01 2.65 -1.51 -1.92 -2.58 116.25 113.97 1jba h VAL 180 Ca -0.24 -0.49 0.01 0.00 -1.23 0.00 0.00 66.70 64.75 1jba h VAL 180 Cb 1.90 0.25 -0.02 0.00 -2.13 0.00 0.00 31.29 31.30 1jba h VAL 180 CO 0.18 0.22 -0.07 -0.03 -1.23 0.00 0.00 177.57 176.64 1jba h MET 181 N 0.96 -0.11 -0.35 5.19 1.85 -1.85 0.92 114.93 121.54 1jba h MET 181 Ca 0.25 0.01 0.08 0.00 -0.61 0.00 0.00 59.70 59.42 1jba h MET 181 Cb 0.00 0.03 -0.08 0.00 0.43 0.00 0.00 31.60 31.98 1jba h MET 181 CO -0.04 -0.07 -0.20 -0.22 -0.40 0.00 0.00 176.91 175.97 1jba h LYS 182 N -0.11 -0.15 -0.28 0.39 3.64 -1.48 1.07 116.57 119.64 1jba h LYS 182 Ca 0.03 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 1jba h LYS 182 Cb 0.15 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1jba h LYS 182 CO -0.07 -0.10 -0.34 1.98 -2.27 0.00 0.00 179.45 178.65 1jba h MET 183 N -0.15 0.62 -0.04 1.90 4.05 -1.24 -1.41 114.93 118.66 1jba h MET 183 Ca 0.17 -0.28 -0.08 0.00 -0.28 0.00 0.00 59.70 59.23 1jba h MET 183 Cb 0.42 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 1jba h MET 183 CO -0.44 0.87 -0.36 1.25 0.23 0.00 0.00 176.91 178.46 1jba h LEU 184 N 0.52 0.07 0.00 3.39 5.85 0.24 -3.37 115.31 122.02 1jba h LEU 184 Ca 0.06 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1jba h LEU 184 Cb 0.83 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1jba h LEU 184 CO 0.07 0.43 0.00 1.67 -0.34 0.00 0.00 178.44 180.27 1jba n GLN 185 N -4.09 0.00 0.00 1.25 -0.06 0.36 -5.04 117.38 109.79 1jba n GLN 185 Ca -0.02 0.03 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 1jba n GLN 185 Cb 0.41 -0.42 0.00 0.00 -4.06 0.00 0.00 30.24 26.17 1jba n GLN 185 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 1jba n MET 186 N -0.84 0.00 0.00 3.69 2.81 -0.56 -5.07 117.12 117.15 1jba n MET 186 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1jba n MET 186 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1jba n MET 186 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1jba n ASP 187 N 0.00 0.00 0.00 7.83 8.00 -1.26 -4.20 116.55 126.92 1jba n ASP 187 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1jba n ASP 187 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1jba n ASP 187 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jba n LEU 188 N -0.17 0.00 0.09 0.64 -0.00 -1.26 -4.90 117.00 111.41 1jba n LEU 188 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.96 1jba n LEU 188 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.51 1jba n LEU 188 CO 0.00 0.02 0.42 -1.13 -0.00 0.00 0.00 177.39 176.69 1jba h ASN 189 N 0.00 0.22 0.00 1.45 -1.24 -1.99 -3.56 115.58 110.46 1jba h ASN 189 Ca 0.00 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.87 1jba h ASN 189 Cb 0.07 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1jba h ASN 189 CO 0.00 0.84 0.00 -0.81 -1.29 0.00 0.00 177.43 176.17