#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 -5.45 -0.03 1.61 7.27 -1.26 -4.94 117.38 114.59 1jba n GLN 3 Ca 0.00 0.77 -0.06 0.00 0.07 0.00 0.00 57.00 57.78 1jba n GLN 3 Cb 0.00 -5.60 -0.02 0.00 2.41 0.00 0.00 30.24 27.03 1jba n GLN 3 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1jba n GLN 4 N -4.07 0.25 -3.24 3.69 7.27 -1.26 -5.02 117.38 114.99 1jba n GLN 4 Ca -0.26 0.10 -0.23 0.00 0.07 0.00 0.00 57.00 56.68 1jba n GLN 4 Cb 0.66 -0.93 0.05 0.00 2.41 0.00 0.00 30.24 32.44 1jba n GLN 4 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1jba n PHE 5 N -3.84 -2.31 -4.19 3.69 7.35 -1.26 -4.35 117.46 112.55 1jba n PHE 5 Ca -0.11 0.72 0.00 0.00 -0.76 0.00 0.00 57.45 57.30 1jba n PHE 5 Cb 0.34 -4.65 0.00 0.00 0.35 0.00 0.00 39.48 35.52 1jba n PHE 5 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1jba n SER 6 N -2.62 -0.04 -2.96 -2.13 7.64 -1.26 -3.36 113.62 108.89 1jba n SER 6 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1jba n SER 6 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 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 0.00 -2.13 -0.12 1.43 7.02 -1.26 -4.70 117.44 117.69 1jba n TRP 7 Ca 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.36 1jba n TRP 7 Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 1jba n TRP 7 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1jba h GLU 8 N 0.00 0.79 -0.11 -0.99 4.22 -1.90 -2.73 114.58 113.86 1jba h GLU 8 Ca 0.00 -0.38 0.01 0.00 0.08 0.00 0.00 59.36 59.07 1jba h GLU 8 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1jba h GLU 8 CO 0.00 1.01 -0.11 0.93 -2.18 0.00 0.00 179.01 178.66 1jba h GLU 9 N 0.58 -0.05 -0.30 1.92 5.08 -1.92 0.54 114.58 120.43 1jba h GLU 9 Ca 0.07 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1jba h GLU 9 Cb 0.81 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 1jba h GLU 9 CO 0.07 -0.03 -0.02 0.00 -1.00 0.00 0.00 179.01 178.02 1jba h ALA 10 N -0.96 0.25 -0.78 3.43 0.00 -1.78 -0.15 119.26 119.27 1jba h ALA 10 Ca 0.02 0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.17 1jba h ALA 10 Cb 0.10 0.16 -0.15 0.00 0.00 0.00 0.00 17.79 17.91 1jba h ALA 10 CO -0.13 -0.42 -0.22 1.49 0.00 0.00 0.00 179.25 179.96 1jba h GLU 11 N 0.07 -0.02 0.00 0.00 4.57 -1.02 2.22 114.58 120.40 1jba h GLU 11 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1jba h GLU 11 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1jba h GLU 11 CO -0.25 -0.01 0.00 -1.91 -1.18 0.00 0.00 179.01 175.65 1jba n GLU 12 N -5.50 0.01 0.00 1.92 0.00 0.11 -4.89 120.64 112.28 1jba n GLU 12 Ca 0.10 0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.34 1jba n GLU 12 Cb 0.40 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.34 1jba n GLU 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1jba n ASN 13 N -1.49 0.00 -0.13 4.31 6.94 0.75 -4.88 115.26 120.75 1jba n ASN 13 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 1jba n ASN 13 Cb 0.28 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 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 0.00 0.76 2.97 4.83 0.00 -1.26 -4.83 105.19 107.65 1jba n GLY 14 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.10 -2.91 -0.53 4.61 0.00 -1.26 -4.95 120.51 115.37 1jba n ALA 15 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.21 1jba n ALA 15 Cb 0.04 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 16.93 1jba n ALA 15 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1jba n VAL 16 N 0.10 0.00 -1.81 0.00 3.14 -1.26 -5.06 118.33 113.43 1jba n VAL 16 Ca 0.04 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.01 1jba n VAL 16 Cb 0.40 0.27 -0.03 0.00 -1.06 0.00 0.00 33.84 33.42 1jba n VAL 16 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1jba s GLY 17 N 0.00 0.40 0.00 7.55 0.00 -1.26 -4.24 107.32 109.77 1jba s GLY 17 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.95 1jba s GLY 17 CO 0.00 3.60 0.00 0.00 0.00 0.00 0.00 173.10 176.70 1jba n ALA 18 N 12.07 0.00 0.13 3.20 0.00 -1.26 -4.97 120.51 129.67 1jba n ALA 18 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1jba n ALA 18 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -4.90 120.51 113.35 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 -3.23 0.00 0.20 0.00 2.03 -1.26 -1.94 116.55 112.35 1jba n ASP 20 Ca 0.00 0.26 0.14 0.00 0.52 0.00 0.00 54.79 55.72 1jba n ASP 20 Cb 0.00 0.00 0.75 0.00 -0.72 0.00 0.00 41.12 41.15 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jba h ALA 21 N -2.13 1.96 -0.66 -1.67 0.00 -1.97 -1.36 119.26 113.43 1jba h ALA 21 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.04 1jba h ALA 21 Cb 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.69 1jba h ALA 21 CO 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 179.25 179.00 1jba h ALA 22 N 1.88 0.61 -0.46 0.00 0.00 -1.86 0.94 119.26 120.37 1jba h ALA 22 Ca 0.08 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1jba h ALA 22 Cb 0.35 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1jba h ALA 22 CO -0.00 -0.41 -0.20 1.96 0.00 0.00 0.00 179.25 180.61 1jba h GLN 23 N 0.09 0.91 0.34 0.00 1.08 -0.56 -2.85 115.11 114.12 1jba h GLN 23 Ca 0.34 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1jba h GLN 23 Cb 0.56 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1jba h GLN 23 CO -0.59 1.02 -0.21 -0.07 -0.95 0.00 0.00 178.83 178.02 1jba h LEU 24 N 0.79 -0.54 -0.87 1.46 3.38 0.11 -1.33 115.31 118.32 1jba h LEU 24 Ca 0.11 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.34 1jba h LEU 24 Cb 0.74 0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.52 1jba h LEU 24 CO 0.06 -0.34 0.28 1.56 0.09 0.00 0.00 178.44 180.09 1jba h GLN 25 N -0.54 0.26 -0.68 1.13 4.20 0.70 1.00 115.11 121.18 1jba h GLN 25 Ca -0.04 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1jba h GLN 25 Cb 0.44 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1jba h GLN 25 CO 0.03 0.17 0.34 1.49 -0.67 0.00 0.00 178.83 180.20 1jba h GLU 26 N 0.27 0.96 -0.01 1.46 4.22 -1.14 -1.73 114.58 118.61 1jba h GLU 26 Ca 0.54 -0.12 -0.13 0.00 0.08 0.00 0.00 59.36 59.73 1jba h GLU 26 Cb 1.06 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1jba h GLU 26 CO -0.60 0.73 -0.60 -1.49 -2.18 0.00 0.00 179.01 174.87 1jba h TRP 27 N 0.96 0.04 0.00 0.92 6.55 0.19 -2.68 115.95 121.94 1jba h TRP 27 Ca 0.24 -0.02 -0.09 0.00 0.95 0.00 0.00 58.89 59.97 1jba h TRP 27 Cb 0.08 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 28.36 1jba h TRP 27 CO 0.01 0.62 -0.42 -0.92 -1.05 0.00 0.00 178.44 176.68 1jba h TYR 28 N 0.02 0.00 0.05 0.49 5.03 0.40 -1.60 116.97 121.37 1jba h TYR 28 Ca -0.01 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 1jba h TYR 28 Cb 1.07 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.35 1jba h TYR 28 CO 0.00 0.42 -0.03 0.87 -1.32 0.00 0.00 178.16 178.11 1jba h LYS 29 N 0.00 -0.07 -0.51 1.82 1.57 -1.18 -2.66 116.57 115.54 1jba h LYS 29 Ca -0.00 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 1jba h LYS 29 Cb 0.80 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1jba h LYS 29 CO 0.06 -0.05 0.36 0.87 -0.57 0.00 0.00 179.45 180.12 1jba h LYS 30 N -0.60 0.11 -0.02 3.15 1.57 -1.58 0.60 116.57 119.82 1jba h LYS 30 Ca -0.01 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 1jba h LYS 30 Cb 0.06 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1jba h LYS 30 CO 0.01 0.07 -0.69 0.35 -0.57 0.00 0.00 179.45 178.63 1jba h PHE 31 N 0.11 0.72 -0.00 -1.35 3.57 -1.41 -3.26 116.94 115.32 1jba h PHE 31 Ca 0.24 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1jba h PHE 31 Cb 0.81 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1jba h PHE 31 CO -0.00 1.20 -0.33 1.28 -2.23 0.00 0.00 178.31 178.23 1jba n LEU 32 N -4.14 0.43 -0.09 0.59 7.99 -0.83 -3.35 117.00 117.61 1jba n LEU 32 Ca -0.10 0.09 -0.11 0.00 -0.01 0.00 0.00 56.01 55.88 1jba n LEU 32 Cb 0.71 -0.29 0.03 0.00 -0.11 0.00 0.00 43.42 43.76 1jba n LEU 32 CO 0.49 0.10 0.59 -0.08 -1.51 0.00 0.00 177.39 176.97 1jba h GLU 33 N 0.16 0.82 0.00 3.23 4.22 0.15 0.01 114.58 123.16 1jba h GLU 33 Ca 0.00 -0.41 0.00 0.00 0.08 0.00 0.00 59.36 59.03 1jba h GLU 33 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1jba h GLU 33 CO 0.00 1.04 -0.85 -0.85 -2.18 0.00 0.00 179.01 176.17 1jba n GLU 34 N -4.06 0.39 -2.95 1.92 0.28 -1.25 -4.62 120.64 110.36 1jba n GLU 34 Ca -0.02 0.07 -0.10 0.00 -0.16 0.00 0.00 57.16 56.96 1jba n GLU 34 Cb 0.52 -1.70 -0.02 0.00 1.43 0.00 0.00 31.44 31.66 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jba n PRO 36 N 3.04 0.14 -0.00 0.00 -0.02 -0.03 -2.20 135.00 135.94 1jba n PRO 36 Ca 0.20 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.71 1jba n PRO 36 Cb 0.54 -1.43 -0.04 0.00 -0.02 0.00 0.00 33.50 32.55 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 1.24 1.76 -2.49 2.55 2.88 -1.26 -5.04 113.62 113.26 1jba n SER 37 Ca 0.00 -0.35 -0.09 0.00 -1.33 0.00 0.00 58.87 57.10 1jba n SER 37 Cb 0.07 1.12 0.04 0.00 -0.75 0.00 0.00 64.21 64.70 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 1.59 -0.24 3.26 0.46 0.00 -0.93 -5.05 105.19 104.27 1jba n GLY 38 Ca 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 1jba n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jba s THR 39 N -3.22 0.09 -0.06 2.61 -4.23 -1.26 -4.25 115.64 105.31 1jba s THR 39 Ca 0.22 -0.73 -0.15 0.00 -1.18 0.00 0.00 61.69 59.85 1jba s THR 39 Cb -0.03 -1.06 0.03 0.00 1.34 0.00 0.00 72.50 72.78 1jba s THR 39 CO 0.43 -0.40 0.35 -0.22 -0.54 0.00 0.00 174.62 174.23 1jba s LEU 40 N -2.35 0.69 0.27 4.79 2.96 0.05 -4.96 118.68 120.13 1jba s LEU 40 Ca -0.02 0.36 0.10 0.00 -0.22 0.00 0.00 54.13 54.36 1jba s LEU 40 Cb 0.01 1.32 -0.04 0.00 0.50 0.00 0.00 46.19 47.98 1jba s LEU 40 CO -0.06 -0.33 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.23 1jba s PHE 41 N -0.74 2.60 0.35 5.38 0.08 -1.26 -0.84 117.98 123.55 1jba s PHE 41 Ca -0.08 -0.26 0.05 0.00 0.12 0.00 0.00 56.93 56.76 1jba s PHE 41 Cb -0.04 -1.17 0.69 0.00 -0.57 0.00 0.00 43.02 41.93 1jba s PHE 41 CO 0.03 0.63 1.95 0.00 -0.10 0.00 0.00 175.22 177.73 1jba h MET 42 N 1.96 0.80 0.04 0.44 -0.00 -1.99 -2.47 114.93 113.71 1jba h MET 42 Ca -0.43 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.70 59.22 1jba h MET 42 Cb 1.25 -0.18 0.00 0.00 -0.00 0.00 0.00 31.60 32.67 1jba h MET 42 CO 0.61 0.53 -0.02 0.45 -0.00 0.00 0.00 176.91 178.47 1jba h HIS 43 N 0.82 -0.06 0.00 -0.10 3.86 -2.00 -2.08 115.15 115.60 1jba h HIS 43 Ca 0.33 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1jba h HIS 43 Cb 0.25 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1jba h HIS 43 CO -0.00 -0.03 0.26 0.39 0.86 0.00 0.00 177.93 179.41 1jba n GLU 44 N -2.16 0.02 -0.05 2.45 1.02 -1.18 -0.45 120.64 120.28 1jba n GLU 44 Ca -0.01 0.34 -0.14 0.00 -0.02 0.00 0.00 57.16 57.34 1jba n GLU 44 Cb 0.02 -1.83 -0.12 0.00 -0.02 0.00 0.00 31.44 29.49 1jba n GLU 44 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1jba h PHE 45 N 0.00 0.03 -0.54 -0.32 3.04 -0.90 -2.34 116.94 115.91 1jba h PHE 45 Ca 0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1jba h PHE 45 Cb 0.52 -0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.00 1jba h PHE 45 CO 0.00 0.90 0.35 -0.22 -2.02 0.00 0.00 178.31 177.32 1jba h LYS 46 N -0.85 0.72 0.00 1.11 3.11 -0.40 -1.63 116.57 118.63 1jba h LYS 46 Ca -0.01 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1jba h LYS 46 Cb 0.92 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.99 1jba h LYS 46 CO 0.01 0.48 0.00 -2.13 -2.81 0.00 0.00 179.45 175.00 1jba n ARG 47 N -4.45 0.00 -0.39 1.90 0.00 -1.07 -0.84 116.66 111.81 1jba n ARG 47 Ca 0.05 0.24 -0.10 0.00 -0.00 0.00 0.00 57.85 58.04 1jba n ARG 47 Cb 0.05 -1.01 -0.09 0.00 0.00 0.00 0.00 32.46 31.41 1jba n ARG 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1jba n PHE 48 N -1.21 -0.40 0.03 -0.14 7.35 -0.88 0.28 117.46 122.49 1jba n PHE 48 Ca 0.00 1.15 -0.03 0.00 -0.76 0.00 0.00 57.45 57.81 1jba n PHE 48 Cb 0.00 -0.57 -0.01 0.00 0.35 0.00 0.00 39.48 39.24 1jba n PHE 48 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 1jba h PHE 49 N 0.00 -0.21 -2.51 -5.13 3.57 -1.43 -3.30 116.94 107.93 1jba h PHE 49 Ca 0.15 0.00 -0.69 0.00 3.53 0.00 0.00 57.97 60.96 1jba h PHE 49 Cb 0.38 0.08 -0.36 0.00 2.79 0.00 0.00 35.95 38.84 1jba h PHE 49 CO -0.99 -0.09 0.02 1.17 -2.23 0.00 0.00 178.31 176.18 1jba n LYS 50 N -2.78 3.41 -0.31 1.11 3.00 -0.02 -4.92 118.16 117.64 1jba n LYS 50 Ca -0.02 -4.63 0.01 0.00 -0.00 0.00 0.00 58.31 53.68 1jba n LYS 50 Cb 0.06 -2.37 0.08 0.00 0.00 0.00 0.00 35.03 32.81 1jba n LYS 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1jba h VAL 51 N 3.28 0.11 -1.87 3.15 2.07 0.41 -3.40 116.25 119.99 1jba h VAL 51 Ca 0.20 0.00 -0.66 0.00 0.82 0.00 0.00 66.70 67.06 1jba h VAL 51 Cb 0.64 0.11 0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1jba h VAL 51 CO 1.06 0.00 0.38 -2.65 0.02 0.00 0.00 177.57 176.38 1jba n PRO 52 N -5.53 1.23 -1.44 1.57 -0.02 -1.26 -4.78 135.00 124.77 1jba n PRO 52 Ca 0.11 0.44 -0.50 0.00 -2.02 0.00 0.00 63.50 61.53 1jba n PRO 52 Cb 0.42 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1jba n PRO 52 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1jba n ASP 53 N 2.28 -0.66 -2.68 2.55 -0.08 -1.26 -4.91 116.55 111.79 1jba n ASP 53 Ca 0.16 1.14 -0.05 0.00 -1.51 0.00 0.00 54.79 54.53 1jba n ASP 53 Cb 0.23 -0.98 0.09 0.00 2.34 0.00 0.00 41.12 42.80 1jba n ASP 53 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1jba n ASN 54 N 1.84 -1.60 0.20 1.67 6.94 -1.26 -4.99 115.26 118.06 1jba n ASN 54 Ca 0.18 -2.23 0.14 0.00 -0.02 0.00 0.00 54.58 52.65 1jba n ASN 54 Cb 0.21 1.15 0.63 0.00 -2.36 0.00 0.00 39.78 39.42 1jba n ASN 54 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1jba h GLU 55 N 2.90 0.00 0.00 -3.83 4.81 -1.99 -3.32 114.58 113.15 1jba h GLU 55 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1jba h GLU 55 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1jba h GLU 55 CO -0.02 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.65 1jba n GLU 56 N -2.55 0.00 -0.25 1.92 -0.58 -1.26 -3.15 120.64 114.76 1jba n GLU 56 Ca 0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.73 1jba n GLU 56 Cb 0.20 -0.85 -0.02 0.00 -0.57 0.00 0.00 31.44 30.21 1jba n GLU 56 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jba n ALA 57 N -0.84 2.65 -0.05 0.62 0.00 -1.25 -3.26 120.51 118.38 1jba n ALA 57 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 53.44 53.19 1jba n ALA 57 Cb 0.00 -1.82 -0.15 0.00 0.00 0.00 0.00 19.45 17.48 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 2.12 1.04 0.11 0.00 -1.04 -1.19 -4.06 114.28 111.26 1jba n THR 58 Ca 0.05 -0.74 -0.04 0.00 -2.04 0.00 0.00 64.05 61.28 1jba n THR 58 Cb 0.24 -0.43 0.09 0.00 -1.82 0.00 0.00 70.33 68.41 1jba n THR 58 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1jba h GLN 59 N 0.00 0.05 0.00 -2.82 4.15 -1.77 -2.60 115.11 112.11 1jba h GLN 59 Ca -0.34 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.04 1jba h GLN 59 Cb 1.82 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.52 1jba h GLN 59 CO 0.03 0.74 -0.00 -0.92 -1.93 0.00 0.00 178.83 176.75 1jba h TYR 60 N 0.03 -0.00 -0.69 3.99 3.20 -1.83 -2.66 116.97 119.01 1jba h TYR 60 Ca -0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1jba h TYR 60 Cb 1.27 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 1jba h TYR 60 CO 0.01 0.14 0.41 0.28 -1.64 0.00 0.00 178.16 177.35 1jba h VAL 61 N -0.14 1.20 -0.92 1.81 2.07 -1.69 -1.68 116.25 116.90 1jba h VAL 61 Ca -0.00 -0.47 0.22 0.00 0.82 0.00 0.00 66.70 67.27 1jba h VAL 61 Cb 0.14 0.26 -0.12 0.00 -1.52 0.00 0.00 31.29 30.05 1jba h VAL 61 CO 0.00 0.22 0.44 -0.33 0.02 0.00 0.00 177.57 177.91 1jba h GLU 62 N 0.95 0.43 -0.50 1.57 5.08 -1.21 0.46 114.58 121.36 1jba h GLU 62 Ca 0.25 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1jba h GLU 62 Cb -0.01 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1jba h GLU 62 CO -0.04 0.29 0.21 0.00 -1.00 0.00 0.00 179.01 178.47 1jba h ALA 63 N 1.71 0.65 -0.96 3.43 0.00 -0.98 -2.36 119.26 120.75 1jba h ALA 63 Ca 0.57 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.40 1jba h ALA 63 Cb 1.08 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1jba h ALA 63 CO -0.51 0.24 0.62 1.98 0.00 0.00 0.00 179.25 181.58 1jba h MET 64 N 0.67 1.10 -0.46 0.00 1.85 0.17 -0.72 114.93 117.53 1jba h MET 64 Ca 0.17 -0.07 -0.04 0.00 -0.61 0.00 0.00 59.70 59.16 1jba h MET 64 Cb 0.17 -0.25 -0.02 0.00 0.43 0.00 0.00 31.60 31.93 1jba h MET 64 CO -0.02 0.73 0.14 0.35 -0.40 0.00 0.00 176.91 177.71 1jba h PHE 65 N 1.14 0.69 0.34 1.39 3.04 -0.61 -2.85 116.94 120.08 1jba h PHE 65 Ca 0.41 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.30 1jba h PHE 65 Cb 0.14 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.44 1jba h PHE 65 CO -0.01 0.57 -0.17 -0.09 -2.02 0.00 0.00 178.31 176.60 1jba h ARG 66 N 0.67 -0.45 -1.57 1.11 9.65 -0.70 -2.07 114.38 121.02 1jba h ARG 66 Ca 0.16 0.03 0.46 0.00 -1.10 0.00 0.00 59.98 59.53 1jba h ARG 66 Cb 0.21 0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 28.82 1jba h ARG 66 CO -0.01 -0.26 1.12 0.00 2.80 0.00 0.00 179.97 183.62 1jba h ALA 67 N -1.05 3.41 0.00 2.80 0.00 -1.22 2.15 119.26 125.35 1jba h ALA 67 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jba h ALA 67 Cb 0.39 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1jba h ALA 67 CO 0.08 -1.89 -0.73 1.19 0.00 0.00 0.00 179.25 177.89 1jba n PHE 68 N -4.14 0.27 -3.15 0.00 3.72 -1.08 -4.70 117.46 108.38 1jba n PHE 68 Ca 0.36 0.08 -0.45 0.00 -0.05 0.00 0.00 57.45 57.39 1jba n PHE 68 Cb 1.62 -0.44 -0.04 0.00 -0.94 0.00 0.00 39.48 39.68 1jba n PHE 68 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1jba s ASP 69 N -3.71 6.23 -0.19 4.37 2.15 0.73 -4.88 116.67 121.38 1jba s ASP 69 Ca 0.07 -1.59 -0.16 0.00 0.43 0.00 0.00 52.55 51.29 1jba s ASP 69 Cb 0.15 -2.28 -0.12 0.00 -0.30 0.00 0.00 42.92 40.37 1jba s ASP 69 CO 0.75 -1.04 0.00 0.35 -0.17 0.00 0.00 175.17 175.06 1jba n THR 70 N 5.41 1.49 0.00 1.71 -2.24 -1.26 -3.97 114.28 115.41 1jba n THR 70 Ca -0.08 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1jba n THR 70 Cb 0.42 -2.17 0.00 0.00 -2.10 0.00 0.00 70.33 66.48 1jba n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1jba n ASN 71 N -4.49 0.00 -1.29 3.42 0.23 -1.26 -4.66 115.26 107.22 1jba n ASN 71 Ca -0.24 0.14 -0.14 0.00 -0.53 0.00 0.00 54.58 53.81 1jba n ASN 71 Cb 0.54 -0.14 -0.06 0.00 -2.08 0.00 0.00 39.78 38.04 1jba n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jba n GLY 72 N -1.03 1.34 0.57 4.83 0.00 -1.26 -4.73 105.19 104.91 1jba n GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.73 0.59 -1.84 1.61 5.68 -1.26 -4.72 116.55 115.88 1jba n ASP 73 Ca -0.14 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.24 1jba n ASP 73 Cb 0.51 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 1jba n ASP 73 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1jba n ASN 74 N 0.34 -0.59 -3.83 -1.12 0.23 -1.26 -4.80 115.26 104.23 1jba n ASN 74 Ca 0.00 0.29 -0.09 0.00 -0.53 0.00 0.00 54.58 54.25 1jba n ASN 74 Cb 0.13 -0.76 -0.07 0.00 -2.08 0.00 0.00 39.78 37.00 1jba n ASN 74 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1jba s THR 75 N -1.52 0.13 -0.01 5.53 2.01 -1.26 -4.92 115.64 115.60 1jba s THR 75 Ca 0.00 -1.12 0.05 0.00 0.31 0.00 0.00 61.69 60.94 1jba s THR 75 Cb 0.00 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 1jba s THR 75 CO 0.00 -0.60 -0.17 -0.63 -0.69 0.00 0.00 174.62 172.53 1jba s ILE 76 N -3.86 2.88 0.26 1.82 -1.09 -0.02 -4.93 121.20 116.26 1jba s ILE 76 Ca 0.05 -0.94 0.06 0.00 -2.23 0.00 0.00 60.65 57.58 1jba s ILE 76 Cb 0.04 -2.16 -0.03 0.00 -1.58 0.00 0.00 42.46 38.74 1jba s ILE 76 CO -0.11 0.48 0.35 -0.62 -1.23 0.00 0.00 174.94 173.81 1jba s ASP 77 N -1.03 6.12 0.20 3.58 -1.08 -1.26 -0.77 116.67 122.44 1jba s ASP 77 Ca 0.13 -0.03 -0.15 0.00 -0.52 0.00 0.00 52.55 51.98 1jba s ASP 77 Cb -0.11 -1.69 0.20 0.00 -1.46 0.00 0.00 42.92 39.86 1jba s ASP 77 CO 0.03 -0.12 1.63 0.15 0.52 0.00 0.00 175.17 177.38 1jba h PHE 78 N 1.19 -0.37 -0.32 -5.34 3.04 -1.93 -1.54 116.94 111.66 1jba h PHE 78 Ca -0.50 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.48 1jba h PHE 78 Cb 1.24 0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.99 1jba h PHE 78 CO 0.47 -0.27 0.12 1.25 -2.02 0.00 0.00 178.31 177.86 1jba h LEU 79 N -0.03 0.45 -0.17 0.59 5.85 -1.96 -2.48 115.31 117.57 1jba h LEU 79 Ca 0.27 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1jba h LEU 79 Cb 0.44 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1jba h LEU 79 CO -0.60 0.50 -0.24 -0.33 -0.34 0.00 0.00 178.44 177.44 1jba h GLU 80 N 0.37 -0.17 -0.93 1.25 5.08 -1.67 0.67 114.58 119.17 1jba h GLU 80 Ca 0.11 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.61 1jba h GLU 80 Cb 0.20 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.41 1jba h GLU 80 CO -0.01 -0.11 0.59 0.10 -1.00 0.00 0.00 179.01 178.59 1jba h TYR 81 N -0.17 0.95 -0.25 4.33 -0.00 -1.53 -0.95 116.97 119.35 1jba h TYR 81 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.78 1jba h TYR 81 Cb 0.25 -0.30 -0.01 0.00 0.00 0.00 0.00 36.73 36.67 1jba h TYR 81 CO -0.65 0.36 0.13 0.28 -0.00 0.00 0.00 178.16 178.28 1jba h VAL 82 N 0.81 1.12 -0.87 -0.90 2.07 -0.51 -2.08 116.25 115.90 1jba h VAL 82 Ca 0.47 -0.34 0.22 0.00 0.82 0.00 0.00 66.70 67.87 1jba h VAL 82 Cb 0.63 0.90 -0.13 0.00 -1.52 0.00 0.00 31.29 31.17 1jba h VAL 82 CO -0.23 0.12 0.29 0.00 0.02 0.00 0.00 177.57 177.78 1jba h ALA 83 N 1.01 1.30 -0.69 1.67 0.00 0.17 0.63 119.26 123.35 1jba h ALA 83 Ca 0.09 0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1jba h ALA 83 Cb 0.08 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1jba h ALA 83 CO -0.01 -0.40 0.37 0.00 0.00 0.00 0.00 179.25 179.20 1jba h ALA 84 N 1.73 0.93 -0.13 0.00 0.00 -1.13 -2.25 119.26 118.40 1jba h ALA 84 Ca 0.54 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1jba h ALA 84 Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1jba h ALA 84 CO -0.58 0.01 0.00 1.28 0.00 0.00 0.00 179.25 179.96 1jba n LEU 85 N -4.81 0.00 -0.12 0.00 4.77 0.21 -0.31 117.00 116.74 1jba n LEU 85 Ca 0.09 0.98 0.25 0.00 -0.03 0.00 0.00 56.01 57.30 1jba n LEU 85 Cb 0.21 -0.48 0.48 0.00 -2.33 0.00 0.00 43.42 41.30 1jba n LEU 85 CO 0.27 -0.48 1.23 -1.13 -1.33 0.00 0.00 177.39 175.96 1jba h ASN 86 N 0.00 0.00 0.33 -1.43 -0.73 -1.37 2.39 115.58 114.77 1jba h ASN 86 Ca 0.00 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 57.84 1jba h ASN 86 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.59 1jba h ASN 86 CO 0.00 0.00 -1.65 0.25 -0.37 0.00 0.00 177.43 175.66 1jba h LEU 87 N 0.00 0.47 -2.02 0.34 5.85 -0.68 -3.15 115.31 116.11 1jba h LEU 87 Ca 0.40 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1jba h LEU 87 Cb 2.50 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 43.38 1jba h LEU 87 CO -0.00 1.59 0.00 1.33 -0.34 0.00 0.00 178.44 181.01 1jba n VAL 88 N -3.49 0.28 -0.10 1.05 0.24 0.34 -4.53 118.33 112.12 1jba n VAL 88 Ca -0.20 -0.64 -0.16 0.00 -2.04 0.00 0.00 64.34 61.29 1jba n VAL 88 Cb 1.06 1.14 -0.08 0.00 -1.47 0.00 0.00 33.84 34.49 1jba n VAL 88 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1jba n LEU 89 N 1.09 2.39 0.00 1.34 0.00 0.72 -5.02 117.00 117.52 1jba n LEU 89 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 56.01 56.17 1jba n LEU 89 Cb 0.49 -0.62 0.00 0.00 0.00 0.00 0.00 43.42 43.28 1jba n LEU 89 CO 0.12 0.66 0.00 0.54 0.00 0.00 0.00 177.39 178.71 1jba n ARG 90 N -3.36 -0.48 -0.00 1.96 1.74 -1.19 -5.02 116.66 110.30 1jba n ARG 90 Ca -0.35 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 56.73 1jba n ARG 90 Cb 0.82 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.26 1jba n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jba n GLY 91 N 3.62 -3.43 3.51 -0.13 0.00 -1.26 -4.88 105.19 102.61 1jba n GLY 91 Ca 0.00 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 1jba n GLY 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jba s THR 92 N -1.01 4.57 0.21 2.61 -4.23 -1.26 -4.91 115.64 111.62 1jba s THR 92 Ca 0.01 0.15 0.06 0.00 -1.18 0.00 0.00 61.69 60.73 1jba s THR 92 Cb -0.00 -4.42 -0.04 0.00 1.34 0.00 0.00 72.50 69.38 1jba s THR 92 CO 0.00 -0.93 0.16 -0.76 -0.54 0.00 0.00 174.62 172.56 1jba s LEU 93 N 3.46 3.79 0.52 4.79 1.43 -1.26 -4.99 118.68 126.42 1jba s LEU 93 Ca 0.27 -0.20 0.35 0.00 -1.03 0.00 0.00 54.13 53.51 1jba s LEU 93 Cb -0.14 -2.36 1.64 0.00 0.03 0.00 0.00 46.19 45.36 1jba s LEU 93 CO 0.19 0.02 2.04 1.05 0.23 0.00 0.00 176.35 179.87 1jba h GLU 94 N 1.95 0.00 -1.12 1.70 4.11 -2.00 -3.02 114.58 116.20 1jba h GLU 94 Ca -0.48 0.00 0.38 0.00 0.07 0.00 0.00 59.36 59.33 1jba h GLU 94 Cb 1.22 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.33 1jba h GLU 94 CO 0.62 0.00 0.67 0.45 0.07 0.00 0.00 179.01 180.82 1jba h HIS 95 N 0.00 0.74 -0.72 2.06 3.86 -1.98 0.62 115.15 119.74 1jba h HIS 95 Ca 0.00 0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.36 1jba h HIS 95 Cb 0.27 -0.19 -0.08 0.00 1.06 0.00 0.00 27.41 28.47 1jba h HIS 95 CO 0.00 -0.22 0.31 0.87 0.86 0.00 0.00 177.93 179.75 1jba h LYS 96 N 0.19 0.47 -0.74 2.45 1.57 -1.90 -0.81 116.57 117.80 1jba h LYS 96 Ca 0.77 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.67 1jba h LYS 96 Cb 2.09 -0.11 -0.14 0.00 0.08 0.00 0.00 32.23 34.15 1jba h LYS 96 CO -0.54 0.31 -0.24 -0.07 -0.57 0.00 0.00 179.45 178.34 1jba h LEU 97 N 0.49 -0.88 -0.04 2.94 3.38 0.02 1.99 115.31 123.21 1jba h LEU 97 Ca 0.38 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.57 1jba h LEU 97 Cb 0.50 0.52 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1jba h LEU 97 CO -0.34 -0.27 -0.03 0.50 0.09 0.00 0.00 178.44 178.38 1jba h LYS 98 N -0.04 0.09 -0.15 1.13 1.63 -1.36 -2.28 116.57 115.58 1jba h LYS 98 Ca 0.33 -0.04 0.04 0.00 -0.85 0.00 0.00 60.65 60.13 1jba h LYS 98 Cb 0.56 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 1jba h LYS 98 CO -0.78 0.53 0.11 2.35 -3.45 0.00 0.00 179.45 178.21 1jba h TRP 99 N -0.36 0.00 -0.13 1.91 7.01 0.23 -1.58 115.95 123.04 1jba h TRP 99 Ca 0.01 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 1jba h TRP 99 Cb 0.51 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.57 1jba h TRP 99 CO 0.09 0.00 -0.12 1.15 -2.79 0.00 0.00 178.44 176.77 1jba h THR 100 N 0.00 1.35 -0.57 2.65 2.02 0.33 -2.79 112.91 115.90 1jba h THR 100 Ca 0.07 -1.26 0.12 0.00 0.77 0.00 0.00 66.41 66.10 1jba h THR 100 Cb 0.29 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 1jba h THR 100 CO -0.00 0.37 0.39 0.15 0.37 0.00 0.00 175.52 176.80 1jba h PHE 101 N -0.07 0.29 0.19 3.16 3.57 -0.71 -1.87 116.94 121.49 1jba h PHE 101 Ca 0.02 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1jba h PHE 101 Cb 0.64 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1jba h PHE 101 CO 0.08 0.13 -0.09 0.87 -2.23 0.00 0.00 178.31 177.07 1jba h LYS 102 N 0.26 -0.25 -0.68 1.11 1.57 -1.24 -1.99 116.57 115.35 1jba h LYS 102 Ca 0.27 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.19 1jba h LYS 102 Cb 0.72 0.06 -0.13 0.00 0.08 0.00 0.00 32.23 32.95 1jba h LYS 102 CO -0.06 0.07 -0.29 0.82 -0.57 0.00 0.00 179.45 179.42 1jba h ILE 103 N -0.59 0.18 0.16 1.86 1.08 -1.08 -0.25 117.51 118.87 1jba h ILE 103 Ca -0.03 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.45 1jba h ILE 103 Cb 0.43 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 1jba h ILE 103 CO 0.04 0.00 -0.21 1.88 -0.69 0.00 0.00 178.15 179.18 1jba h TYR 104 N -0.09 -0.55 -0.19 1.37 0.05 -1.46 -3.33 116.97 112.76 1jba h TYR 104 Ca 0.29 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.06 1jba h TYR 104 Cb 0.55 0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.51 1jba h TYR 104 CO -0.65 -0.30 0.05 -0.51 -1.05 0.00 0.00 178.16 175.70 1jba s ASP 105 N -4.85 3.57 0.41 3.88 1.01 -0.11 -4.63 116.67 115.96 1jba s ASP 105 Ca -0.15 -0.65 0.24 0.00 0.71 0.00 0.00 52.55 52.70 1jba s ASP 105 Cb 0.07 -2.58 0.45 0.00 1.01 0.00 0.00 42.92 41.87 1jba s ASP 105 CO 0.65 -4.50 1.65 0.07 0.21 0.00 0.00 175.17 173.25 1jba h LYS 106 N 11.95 0.00 0.00 8.23 2.10 -1.74 -3.43 116.57 133.69 1jba h LYS 106 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1jba h LYS 106 Cb 1.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 1jba h LYS 106 CO 1.01 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 178.06 1jba n ASP 107 N -2.99 0.00 0.00 7.07 5.68 -1.26 -5.13 116.55 119.92 1jba n ASP 107 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 1jba n ASP 107 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1jba n ASP 107 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1jba n ARG 108 N 0.00 0.00 0.00 0.11 0.63 -1.26 -5.06 116.66 111.07 1jba n ARG 108 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1jba n ARG 108 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1jba n ARG 108 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1jba n ASN 109 N 0.00 0.00 -1.16 6.15 4.13 -1.26 -4.98 115.26 118.14 1jba n ASN 109 Ca 0.00 -0.72 -0.15 0.00 1.68 0.00 0.00 54.58 55.39 1jba n ASN 109 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 1jba n ASN 109 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jba n GLY 110 N 0.00 1.53 3.25 7.41 0.00 -1.26 -4.95 105.19 111.18 1jba n GLY 110 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.85 1.87 0.08 0.00 -1.09 -0.73 -4.85 121.20 112.63 1jba s ILE 112 Ca 0.05 -2.20 -0.08 0.00 -2.23 0.00 0.00 60.65 56.18 1jba s ILE 112 Cb 0.04 -2.34 -0.00 0.00 -1.58 0.00 0.00 42.46 38.57 1jba s ILE 112 CO -0.11 -0.38 0.18 -1.81 -1.23 0.00 0.00 174.94 171.59 1jba s ASP 113 N -3.44 0.13 0.21 3.58 1.01 -1.26 -2.69 116.67 114.22 1jba s ASP 113 Ca 0.28 -0.64 0.06 0.00 0.71 0.00 0.00 52.55 52.96 1jba s ASP 113 Cb 0.01 0.33 0.35 0.00 1.01 0.00 0.00 42.92 44.62 1jba s ASP 113 CO 0.11 -0.71 1.01 -2.11 0.21 0.00 0.00 175.17 173.69 1jba n ARG 114 N 0.02 0.05 0.03 8.23 1.85 -1.26 -0.03 116.66 125.55 1jba n ARG 114 Ca -0.15 0.43 -0.19 0.00 -1.00 0.00 0.00 57.85 56.94 1jba n ARG 114 Cb 0.62 -2.01 -0.14 0.00 -1.05 0.00 0.00 32.46 29.88 1jba n ARG 114 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 1jba h GLN 115 N 0.00 0.28 0.00 2.89 4.15 -1.99 -2.78 115.11 117.66 1jba h GLN 115 Ca 0.00 -0.44 -0.10 0.00 0.77 0.00 0.00 58.65 58.89 1jba h GLN 115 Cb 0.73 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 1jba h GLN 115 CO 0.00 1.19 -0.46 0.93 -1.93 0.00 0.00 178.83 178.56 1jba h GLU 116 N -0.41 0.00 0.72 1.69 5.08 -0.79 -2.84 114.58 118.02 1jba h GLU 116 Ca -0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1jba h GLU 116 Cb 1.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.77 1jba h GLU 116 CO 0.13 0.46 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.18 1jba h LEU 117 N 0.00 -0.82 -0.37 1.33 -0.00 -1.45 -2.74 115.31 111.27 1jba h LEU 117 Ca -0.00 0.03 0.08 0.00 -0.00 0.00 0.00 57.88 57.98 1jba h LEU 117 Cb 0.86 0.21 -0.08 0.00 -0.00 0.00 0.00 40.66 41.65 1jba h LEU 117 CO 0.06 -0.44 -0.22 0.25 -0.00 0.00 0.00 178.44 178.10 1jba h LEU 118 N -1.26 -0.72 -0.04 1.67 6.46 -1.51 -0.05 115.31 119.85 1jba h LEU 118 Ca -0.10 0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1jba h LEU 118 Cb 0.74 0.37 -0.01 0.00 -0.73 0.00 0.00 40.66 41.03 1jba h LEU 118 CO 0.16 -0.25 -0.09 -0.78 -0.62 0.00 0.00 178.44 176.87 1jba h ASP 119 N -0.16 -0.28 0.09 1.25 3.58 -1.54 0.49 116.42 119.85 1jba h ASP 119 Ca 0.18 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.67 1jba h ASP 119 Cb 0.44 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.57 1jba h ASP 119 CO -0.46 -0.07 -0.37 0.40 -2.88 0.00 0.00 179.24 175.86 1jba h ILE 120 N -0.07 0.00 -0.83 2.25 1.08 -1.25 -2.26 117.51 116.42 1jba h ILE 120 Ca 0.01 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.62 1jba h ILE 120 Cb 0.10 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 33.70 1jba h ILE 120 CO -0.08 0.00 -0.35 0.58 -0.69 0.00 0.00 178.15 177.61 1jba h VAL 121 N -0.53 0.08 -1.17 1.67 2.07 -0.84 1.41 116.25 118.94 1jba h VAL 121 Ca -0.00 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.86 1jba h VAL 121 Cb 0.53 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 30.27 1jba h VAL 121 CO -0.20 0.00 0.75 -0.08 0.02 0.00 0.00 177.57 178.06 1jba h GLU 122 N -0.06 0.23 -0.08 1.57 4.22 0.55 0.43 114.58 121.45 1jba h GLU 122 Ca 0.31 -0.01 -0.07 0.00 0.08 0.00 0.00 59.36 59.67 1jba h GLU 122 Cb 0.59 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1jba h GLU 122 CO -0.87 0.15 -0.21 0.77 -2.18 0.00 0.00 179.01 176.67 1jba h SER 123 N 0.24 0.32 -0.74 1.04 0.02 0.23 -2.63 113.55 112.03 1jba h SER 123 Ca 0.70 -0.60 0.09 0.00 -0.84 0.00 0.00 61.79 61.14 1jba h SER 123 Cb 2.02 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 64.42 1jba h SER 123 CO -0.36 0.86 0.48 0.40 -1.14 0.00 0.00 176.83 177.08 1jba h ILE 124 N -0.21 0.95 -0.38 3.27 5.03 0.89 -1.20 117.51 125.87 1jba h ILE 124 Ca -0.01 -0.23 -0.15 0.00 -0.12 0.00 0.00 64.86 64.35 1jba h ILE 124 Cb 0.83 0.23 -0.01 0.00 -3.03 0.00 0.00 36.82 34.84 1jba h ILE 124 CO 0.05 0.12 -0.37 1.88 -0.68 0.00 0.00 178.15 179.15 1jba h TYR 125 N 0.67 1.06 -0.20 1.37 -1.99 -0.94 -2.36 116.97 114.58 1jba h TYR 125 Ca 0.33 -0.31 0.05 0.00 2.00 0.00 0.00 58.73 60.80 1jba h TYR 125 Cb 0.42 -0.23 -0.05 0.00 2.00 0.00 0.00 36.73 38.88 1jba h TYR 125 CO -0.00 1.12 -0.09 0.87 -0.00 0.00 0.00 178.16 180.06 1jba h LYS 126 N 0.73 -0.06 0.46 4.88 1.57 -0.84 -2.12 116.57 121.19 1jba h LYS 126 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1jba h LYS 126 Cb 0.95 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1jba h LYS 126 CO 0.09 -0.04 -0.22 1.25 -0.57 0.00 0.00 179.45 179.96 1jba h LEU 127 N -0.07 -0.52 -1.79 2.94 5.85 -1.48 -2.67 115.31 117.57 1jba h LEU 127 Ca 0.11 -0.05 0.46 0.00 0.84 0.00 0.00 57.88 59.23 1jba h LEU 127 Cb 0.23 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.30 1jba h LEU 127 CO -0.24 -0.26 1.07 0.50 -0.34 0.00 0.00 178.44 179.16 1jba h LYS 128 N -0.76 0.05 0.00 1.25 3.64 -1.22 -2.05 116.57 117.48 1jba h LYS 128 Ca -0.06 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1jba h LYS 128 Cb 0.54 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1jba h LYS 128 CO 0.10 0.03 0.00 1.17 -2.27 0.00 0.00 179.45 178.48 1jba n LYS 129 N -4.26 0.00 -1.19 1.90 4.81 -0.82 -2.23 118.16 116.38 1jba n LYS 129 Ca 0.36 0.72 -0.22 0.00 -0.87 0.00 0.00 58.31 58.30 1jba n LYS 129 Cb 1.59 -1.49 -0.01 0.00 0.02 0.00 0.00 35.03 35.14 1jba n LYS 129 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jba n ALA 130 N -2.43 5.81 -2.21 3.14 0.00 -0.78 -4.89 120.51 119.15 1jba n ALA 130 Ca 0.00 -2.38 -0.22 0.00 0.00 0.00 0.00 53.44 50.84 1jba n ALA 130 Cb 0.00 -1.76 0.01 0.00 0.00 0.00 0.00 19.45 17.70 1jba n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba n SER 132 N -1.84 3.35 -4.97 0.00 3.41 -1.26 -4.82 113.62 107.49 1jba n SER 132 Ca 0.06 -1.84 -0.22 0.00 -0.26 0.00 0.00 58.87 56.61 1jba n SER 132 Cb 0.62 -0.68 0.01 0.00 -0.26 0.00 0.00 64.21 63.90 1jba n SER 132 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jba s VAL 133 N 0.48 3.81 -0.65 -3.33 1.01 -1.26 -5.00 120.40 115.46 1jba s VAL 133 Ca 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1jba s VAL 133 Cb 0.00 -3.39 0.36 0.00 0.00 0.00 0.00 36.38 33.36 1jba s VAL 133 CO 0.00 -0.24 2.09 -0.62 0.00 0.00 0.00 175.10 176.33 1jba n GLU 134 N -2.01 2.56 -2.81 2.72 1.02 -1.26 -4.93 120.64 115.94 1jba n GLU 134 Ca 0.02 -3.04 -0.22 0.00 -0.02 0.00 0.00 57.16 53.90 1jba n GLU 134 Cb 0.58 -2.18 0.02 0.00 -0.02 0.00 0.00 31.44 29.84 1jba n GLU 134 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1jba n VAL 135 N -0.51 -2.27 0.10 2.62 3.14 -1.26 -4.87 118.33 115.28 1jba n VAL 135 Ca 0.55 0.03 0.02 0.00 -2.96 0.00 0.00 64.34 61.98 1jba n VAL 135 Cb 0.53 -2.06 0.03 0.00 -1.06 0.00 0.00 33.84 31.28 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 -0.65 0.51 0.00 1.45 1.02 -1.26 -4.69 120.64 117.02 1jba n GLU 136 Ca -0.10 -1.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.03 1jba n GLU 136 Cb 0.43 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 1jba n GLU 136 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jba n ALA 137 N 0.12 0.00 -1.61 0.62 0.00 -1.26 -5.03 120.51 113.35 1jba n ALA 137 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.14 1jba n ALA 137 Cb 0.16 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.63 1jba n ALA 137 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jba s GLU 138 N 0.00 3.09 -1.08 0.00 0.41 -1.26 -3.01 118.70 116.85 1jba s GLU 138 Ca 0.00 1.37 0.00 0.00 -0.41 0.00 0.00 54.97 55.93 1jba s GLU 138 Cb 0.00 -1.99 0.00 0.00 -1.78 0.00 0.00 34.13 30.36 1jba s GLU 138 CO 0.00 -1.02 0.00 0.94 -0.49 0.00 0.00 175.26 174.69 1jba n GLN 139 N -2.06 -2.18 0.00 1.61 -0.06 -1.26 -4.88 117.38 108.55 1jba n GLN 139 Ca 0.10 0.61 0.00 0.00 -2.00 0.00 0.00 57.00 55.71 1jba n GLN 139 Cb 0.52 -5.20 0.00 0.00 -4.06 0.00 0.00 30.24 21.50 1jba n GLN 139 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1jba n GLN 140 N -2.77 0.00 0.00 3.69 10.64 -1.16 -4.77 117.38 123.00 1jba n GLN 140 Ca -0.15 0.11 0.00 0.00 -1.83 0.00 0.00 57.00 55.14 1jba n GLN 140 Cb 0.61 -1.06 0.00 0.00 -0.86 0.00 0.00 30.24 28.93 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jba n GLY 141 N -0.61 2.03 0.08 2.61 0.00 -1.26 -4.47 105.19 103.57 1jba n GLY 141 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.76 1.01 0.00 1.61 5.02 -1.26 -4.99 118.16 118.80 1jba n LYS 142 Ca 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1jba n LYS 142 Cb 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.80 0.00 -4.94 -0.35 4.77 -1.26 -5.02 117.00 107.39 1jba n LEU 143 Ca -0.28 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.46 1jba n LEU 143 Cb 0.90 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.00 1jba n LEU 143 CO 0.24 0.00 0.29 -1.48 -1.33 0.00 0.00 177.39 175.11 1jba s LEU 144 N 0.00 3.71 0.20 2.23 0.05 -1.26 -5.09 118.68 118.52 1jba s LEU 144 Ca 0.00 0.42 -0.04 0.00 0.05 0.00 0.00 54.13 54.56 1jba s LEU 144 Cb 0.00 -3.30 -0.05 0.00 -2.05 0.00 0.00 46.19 40.79 1jba s LEU 144 CO 0.00 -0.61 0.43 0.42 -0.55 0.00 0.00 176.35 176.04 1jba s THR 145 N -2.55 5.13 0.03 5.48 -4.23 -1.26 -4.85 115.64 113.40 1jba s THR 145 Ca 0.47 -0.04 0.12 0.00 -1.18 0.00 0.00 61.69 61.06 1jba s THR 145 Cb -0.10 -3.68 0.12 0.00 1.34 0.00 0.00 72.50 70.19 1jba s THR 145 CO 0.39 -0.11 1.27 -2.65 -0.54 0.00 0.00 174.62 172.98 1jba n PRO 146 N -0.37 0.09 -0.01 3.99 -0.02 -1.26 0.67 135.00 138.08 1jba n PRO 146 Ca -0.03 0.56 -0.13 0.00 -2.02 0.00 0.00 63.50 61.88 1jba n PRO 146 Cb 0.53 -2.10 -0.14 0.00 -0.02 0.00 0.00 33.50 31.77 1jba n PRO 146 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1jba n GLU 147 N -2.04 0.68 0.35 -0.52 1.02 -1.26 -3.67 120.64 115.20 1jba n GLU 147 Ca -0.01 0.28 -0.14 0.00 -0.02 0.00 0.00 57.16 57.27 1jba n GLU 147 Cb 0.34 -1.75 -0.07 0.00 -0.02 0.00 0.00 31.44 29.94 1jba n GLU 147 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1jba h GLU 148 N 0.03 -0.87 -0.71 3.49 5.08 -0.13 -2.37 114.58 119.10 1jba h GLU 148 Ca -0.35 0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1jba h GLU 148 Cb 2.03 0.20 -0.11 0.00 0.50 0.00 0.00 28.75 31.36 1jba h GLU 148 CO 0.08 -0.58 0.11 -0.24 -1.00 0.00 0.00 179.01 177.38 1jba h VAL 149 N -1.04 0.48 -1.00 3.13 3.04 -1.72 0.59 116.25 119.73 1jba h VAL 149 Ca -0.09 -0.07 0.21 0.00 -1.01 0.00 0.00 66.70 65.74 1jba h VAL 149 Cb 0.69 0.26 -0.11 0.00 -2.01 0.00 0.00 31.29 30.13 1jba h VAL 149 CO 0.15 0.04 0.62 0.58 -1.01 0.00 0.00 177.57 177.94 1jba h VAL 150 N 0.20 0.65 0.00 1.51 2.07 -1.61 1.02 116.25 120.10 1jba h VAL 150 Ca 0.39 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1jba h VAL 150 Cb 0.66 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1jba h VAL 150 CO -0.54 0.12 -0.04 -0.78 0.02 0.00 0.00 177.57 176.35 1jba h ASP 151 N 0.65 0.00 0.56 0.57 1.82 0.63 -2.66 116.42 117.99 1jba h ASP 151 Ca 0.59 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.94 1jba h ASP 151 Cb 1.06 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.08 1jba h ASP 151 CO -0.37 0.04 -1.32 -0.09 -1.61 0.00 0.00 179.24 175.89 1jba h ARG 152 N 0.00 0.30 -0.16 0.28 2.43 0.30 -2.54 114.38 114.99 1jba h ARG 152 Ca -0.00 -0.51 -0.18 0.00 -0.81 0.00 0.00 59.98 58.48 1jba h ARG 152 Cb 0.94 0.19 0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1jba h ARG 152 CO 0.01 1.23 -0.60 0.82 -1.51 0.00 0.00 179.97 179.91 1jba h ILE 153 N 0.08 1.31 -0.45 1.20 2.04 -0.48 -0.22 117.51 120.99 1jba h ILE 153 Ca -0.17 -1.84 -0.12 0.00 1.00 0.00 0.00 64.86 63.74 1jba h ILE 153 Cb 2.00 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 40.05 1jba h ILE 153 CO 0.21 0.57 -0.18 0.15 0.00 0.00 0.00 178.15 178.90 1jba h PHE 154 N 0.39 1.06 0.05 1.37 3.57 -1.57 -2.55 116.94 119.26 1jba h PHE 154 Ca -0.03 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.22 1jba h PHE 154 Cb 1.23 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.72 1jba h PHE 154 CO 0.09 1.05 -0.02 1.25 -2.23 0.00 0.00 178.31 178.45 1jba h LEU 155 N 0.76 -0.06 -1.21 0.59 5.85 -1.49 -2.39 115.31 117.36 1jba h LEU 155 Ca 0.11 0.00 0.36 0.00 0.84 0.00 0.00 57.88 59.19 1jba h LEU 155 Cb 0.75 0.01 -0.13 0.00 0.37 0.00 0.00 40.66 41.66 1jba h LEU 155 CO 0.06 0.33 0.69 0.25 -0.34 0.00 0.00 178.44 179.43 1jba h LEU 156 N -0.82 0.39 0.00 2.25 5.85 -1.16 1.67 115.31 123.49 1jba h LEU 156 Ca -0.01 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1jba h LEU 156 Cb 0.05 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1jba h LEU 156 CO 0.01 -0.13 -0.11 0.58 -0.34 0.00 0.00 178.44 178.45 1jba h VAL 157 N 0.23 0.00 -2.92 1.05 2.07 -1.56 -3.46 116.25 111.66 1jba h VAL 157 Ca 0.75 -0.92 -0.46 0.00 0.82 0.00 0.00 66.70 66.89 1jba h VAL 157 Cb 2.01 1.86 0.09 0.00 -1.52 0.00 0.00 31.29 33.72 1jba h VAL 157 CO -0.49 0.00 0.16 -0.62 0.02 0.00 0.00 177.57 176.64 1jba s ASP 158 N -5.85 4.47 0.00 0.57 2.15 0.57 -4.59 116.67 113.98 1jba s ASP 158 Ca 0.07 0.01 0.00 0.00 0.43 0.00 0.00 52.55 53.06 1jba s ASP 158 Cb 0.07 -0.51 0.00 0.00 -0.30 0.00 0.00 42.92 42.17 1jba s ASP 158 CO 0.67 -1.78 0.00 1.21 -0.17 0.00 0.00 175.17 175.10 1jba n GLU 159 N -2.90 0.00 0.26 4.34 2.13 -1.26 -4.93 120.64 118.28 1jba n GLU 159 Ca 0.12 0.00 0.12 0.00 0.66 0.00 0.00 57.16 58.06 1jba n GLU 159 Cb 0.60 0.00 0.68 0.00 0.27 0.00 0.00 31.44 33.00 1jba n GLU 159 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1jba h ASN 160 N 0.00 0.00 -2.66 4.31 4.21 -1.95 -3.46 115.58 116.03 1jba h ASN 160 Ca 0.00 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.16 1jba h ASN 160 Cb 0.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 1jba h ASN 160 CO 0.00 0.14 -0.45 0.61 -1.29 0.00 0.00 177.43 176.43 1jba n GLY 161 N -0.58 -0.35 0.50 2.83 0.00 -1.26 -4.86 105.19 101.48 1jba n GLY 161 Ca -0.02 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1jba n GLY 161 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jba n ASP 162 N -1.39 1.54 -0.46 1.61 5.68 -1.26 -4.89 116.55 117.38 1jba n ASP 162 Ca -0.19 -1.59 -0.06 0.00 -0.50 0.00 0.00 54.79 52.45 1jba n ASP 162 Cb 0.65 -0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.55 1jba n ASP 162 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jba n GLY 163 N 1.15 0.84 2.89 6.12 0.00 -1.26 -4.99 105.19 109.92 1jba n GLY 163 Ca 0.18 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.41 0.09 -0.62 1.61 -0.21 -1.26 -5.01 119.66 111.85 1jba s GLN 164 Ca 0.00 0.59 -0.25 0.00 0.02 0.00 0.00 55.36 55.72 1jba s GLN 164 Cb 0.00 -0.29 0.04 0.00 1.00 0.00 0.00 33.01 33.76 1jba s GLN 164 CO 0.00 -0.34 1.06 -1.17 -2.12 0.00 0.00 175.29 172.72 1jba s LEU 165 N 2.34 3.86 0.65 2.90 2.96 -1.10 -4.92 118.68 125.37 1jba s LEU 165 Ca 0.03 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.47 1jba s LEU 165 Cb -0.12 -2.75 0.05 0.00 0.50 0.00 0.00 46.19 43.87 1jba s LEU 165 CO -0.07 -1.44 0.93 -0.44 -1.32 0.00 0.00 176.35 174.01 1jba s SER 166 N 3.23 5.01 -0.04 3.68 0.01 -1.26 -1.78 113.70 122.54 1jba s SER 166 Ca 0.32 0.33 -0.26 0.00 1.31 0.00 0.00 55.95 57.65 1jba s SER 166 Cb -0.12 -1.08 -0.21 0.00 0.21 0.00 0.00 66.02 64.82 1jba s SER 166 CO 0.18 -1.42 1.16 0.25 0.41 0.00 0.00 173.24 173.81 1jba h LEU 167 N -0.36 0.04 -0.84 2.44 5.85 -1.96 -1.92 115.31 118.56 1jba h LEU 167 Ca -0.44 -0.61 0.18 0.00 0.84 0.00 0.00 57.88 57.86 1jba h LEU 167 Cb 1.31 -0.01 -0.16 0.00 0.37 0.00 0.00 40.66 42.17 1jba h LEU 167 CO 0.58 0.64 -0.11 0.78 -0.34 0.00 0.00 178.44 179.98 1jba h ASN 168 N -0.56 -0.61 0.85 1.25 4.21 -1.97 0.60 115.58 119.35 1jba h ASN 168 Ca -0.00 0.24 -0.14 0.00 1.21 0.00 0.00 56.30 57.61 1jba h ASN 168 Cb 0.63 0.47 -0.02 0.00 -1.12 0.00 0.00 38.32 38.28 1jba h ASN 168 CO 0.01 -0.26 -0.65 1.05 -1.29 0.00 0.00 177.43 176.28 1jba h GLU 169 N 0.03 0.00 0.43 0.81 4.11 -1.91 -2.77 114.58 115.28 1jba h GLU 169 Ca 0.44 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.84 1jba h GLU 169 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1jba h GLU 169 CO -0.82 0.65 -0.20 0.35 0.07 0.00 0.00 179.01 179.06 1jba h PHE 170 N 0.00 -0.53 -0.29 2.06 3.04 0.98 -1.66 116.94 120.54 1jba h PHE 170 Ca -0.01 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.89 1jba h PHE 170 Cb 1.25 0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.92 1jba h PHE 170 CO 0.00 -0.29 0.01 -0.39 -2.02 0.00 0.00 178.31 175.62 1jba h VAL 171 N -0.65 1.17 0.00 1.41 -1.51 -1.18 0.43 116.25 115.92 1jba h VAL 171 Ca -0.06 -0.67 -0.03 0.00 -1.23 0.00 0.00 66.70 64.71 1jba h VAL 171 Cb 0.48 0.95 -0.00 0.00 -2.13 0.00 0.00 31.29 30.58 1jba h VAL 171 CO 0.10 0.23 -0.12 -0.08 -1.23 0.00 0.00 177.57 176.47 1jba h GLU 172 N 0.43 0.00 -0.01 5.19 4.81 -1.18 0.27 114.58 124.08 1jba h GLU 172 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1jba h GLU 172 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1jba h GLU 172 CO 0.01 0.12 -0.05 0.41 -0.73 0.00 0.00 179.01 178.77 1jba n GLY 173 N -0.89 -0.22 0.06 1.92 0.00 -0.54 -4.27 105.19 101.25 1jba n GLY 173 Ca -0.02 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 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 0.51 1.72 0.20 4.61 0.00 0.14 -4.32 120.51 123.36 1jba n ALA 174 Ca 0.07 -0.66 0.09 0.00 0.00 0.00 0.00 53.44 52.94 1jba n ALA 174 Cb 0.29 0.10 0.20 0.00 0.00 0.00 0.00 19.45 20.03 1jba n ALA 174 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1jba h ARG 175 N 0.00 0.00 -2.61 0.00 0.11 -0.70 -3.38 114.38 107.80 1jba h ARG 175 Ca -0.30 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.18 1jba h ARG 175 Cb 1.58 0.00 -0.39 0.00 1.11 0.00 0.00 29.97 32.27 1jba h ARG 175 CO -0.01 0.19 -0.85 0.50 0.10 0.00 0.00 179.97 179.90 1jba s ARG 176 N -3.21 1.25 0.00 0.08 6.06 -1.26 -5.08 118.95 116.79 1jba s ARG 176 Ca 0.05 -2.29 0.00 0.00 -2.50 0.00 0.00 55.73 50.99 1jba s ARG 176 Cb 0.07 -1.94 0.00 0.00 0.06 0.00 0.00 34.95 33.14 1jba s ARG 176 CO 0.68 -1.32 0.00 -0.40 -2.50 0.00 0.00 175.30 171.76 1jba n ASP 177 N 2.85 0.00 0.00 -2.12 5.75 -1.26 -4.71 116.55 117.06 1jba n ASP 177 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.02 1jba n ASP 177 Cb 0.43 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1jba n ASP 177 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1jba n LYS 178 N 0.00 0.00 0.00 0.11 3.00 -1.26 -5.00 118.16 115.01 1jba n LYS 178 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1jba n LYS 178 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1jba n LYS 178 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1jba n TRP 179 N 0.00 -0.08 0.06 5.64 7.02 -1.26 -4.83 117.44 123.99 1jba n TRP 179 Ca 0.00 0.00 0.20 0.00 -1.02 0.00 0.00 57.50 56.68 1jba n TRP 179 Cb 0.00 0.24 0.74 0.00 -2.42 0.00 0.00 31.31 29.87 1jba n TRP 179 CO 0.00 0.00 0.00 -0.39 -2.02 0.00 0.00 177.69 175.28 1jba h VAL 180 N 0.00 0.55 0.00 -0.99 -1.51 -1.94 -2.71 116.25 109.65 1jba h VAL 180 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1jba h VAL 180 Cb 0.00 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 29.88 1jba h VAL 180 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 177.57 177.14 1jba n MET 181 N -4.03 0.00 -0.30 5.19 0.00 -1.26 -0.46 117.12 116.26 1jba n MET 181 Ca 0.08 0.66 -0.02 0.00 0.00 0.00 0.00 57.70 58.43 1jba n MET 181 Cb 0.57 -1.48 0.11 0.00 0.00 0.00 0.00 33.22 32.42 1jba n MET 181 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 175.97 177.54 1jba h LYS 182 N 0.00 1.00 0.16 2.12 2.10 -1.89 -2.71 116.57 117.35 1jba h LYS 182 Ca 0.00 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1jba h LYS 182 Cb 0.00 -0.23 -0.01 0.00 -0.90 0.00 0.00 32.23 31.10 1jba h LYS 182 CO 0.00 0.66 -0.19 0.52 -2.00 0.00 0.00 179.45 178.44 1jba h MET 183 N 1.03 -0.35 -0.38 0.07 2.86 -1.33 0.39 114.93 117.22 1jba h MET 183 Ca 0.34 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 58.04 1jba h MET 183 Cb 0.03 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.71 1jba h MET 183 CO -0.12 -0.23 -0.34 -0.07 1.06 0.00 0.00 176.91 177.21 1jba h LEU 184 N -0.36 -1.17 0.00 1.22 4.07 -0.71 -3.21 115.31 115.16 1jba h LEU 184 Ca -0.02 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1jba h LEU 184 Cb 0.32 0.49 0.00 0.00 1.08 0.00 0.00 40.66 42.55 1jba h LEU 184 CO -0.04 -0.20 0.00 1.67 -1.08 0.00 0.00 178.44 178.80 1jba n GLN 185 N -4.29 0.00 0.00 1.13 -0.06 -1.03 -4.97 117.38 108.16 1jba n GLN 185 Ca -0.01 0.09 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 1jba n GLN 185 Cb 0.18 -0.77 0.00 0.00 -4.06 0.00 0.00 30.24 25.60 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 -0.35 0.00 0.00 3.69 0.00 0.12 -4.97 117.12 115.61 1jba n MET 186 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 1jba n MET 186 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1jba n MET 186 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1jba n ASP 187 N 0.00 0.00 0.00 6.12 5.68 -1.21 -4.81 116.55 122.33 1jba n ASP 187 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1jba n ASP 187 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1jba n ASP 187 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1jba n LEU 188 N 0.00 0.00 0.08 -2.12 7.94 -1.26 -3.77 117.00 117.86 1jba n LEU 188 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1jba n LEU 188 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1jba n LEU 188 CO 0.00 0.00 0.00 0.59 -1.11 0.00 0.00 177.39 176.87 1jba n ASN 189 N 2.52 -1.36 0.00 1.96 4.13 -1.26 -5.19 115.26 116.06 1jba n ASN 189 Ca 0.00 0.42 0.00 0.00 1.68 0.00 0.00 54.58 56.68 1jba n ASN 189 Cb 0.00 1.50 0.00 0.00 -1.54 0.00 0.00 39.78 39.74 1jba n ASN 189 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89