#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jba n GLN 3 N 0.00 0.00 -0.65 1.61 10.64 -1.26 -4.97 117.38 122.75 1jba n GLN 3 Ca 0.00 -1.47 -0.15 0.00 -1.83 0.00 0.00 57.00 53.55 1jba n GLN 3 Cb 0.00 0.25 -0.05 0.00 -0.86 0.00 0.00 30.24 29.57 1jba n GLN 3 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1jba n GLN 4 N 0.24 1.63 0.00 2.61 1.13 -1.26 -4.41 117.38 117.32 1jba n GLN 4 Ca -0.11 -1.03 -0.01 0.00 -1.94 0.00 0.00 57.00 53.91 1jba n GLN 4 Cb 0.91 -2.13 -0.00 0.00 0.11 0.00 0.00 30.24 29.13 1jba n GLN 4 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1jba h PHE 5 N 5.37 -0.05 -1.58 1.08 0.04 -2.04 -3.43 116.94 116.32 1jba h PHE 5 Ca 0.31 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1jba h PHE 5 Cb 0.49 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1jba h PHE 5 CO 1.72 -0.03 0.00 -1.13 -0.60 0.00 0.00 178.31 178.26 1jba n SER 6 N -3.31 0.06 0.00 2.17 3.41 -1.26 -4.74 113.62 109.95 1jba n SER 6 Ca -0.01 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 1jba n SER 6 Cb 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 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 -0.31 7.33 7.02 -1.26 -4.83 117.44 125.39 1jba n TRP 7 Ca 0.00 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.57 1jba n TRP 7 Cb 0.00 0.00 0.20 0.00 -2.42 0.00 0.00 31.31 29.09 1jba n TRP 7 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1jba h GLU 8 N 0.00 0.04 0.00 -0.99 4.39 -2.02 -2.00 114.58 114.00 1jba h GLU 8 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jba h GLU 8 Cb 0.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1jba h GLU 8 CO 0.00 0.03 0.00 0.39 -1.16 0.00 0.00 179.01 178.27 1jba n GLU 9 N -5.46 0.00 -0.59 2.33 4.71 -1.26 0.29 120.64 120.66 1jba n GLU 9 Ca 0.18 0.19 0.47 0.00 -0.01 0.00 0.00 57.16 57.98 1jba n GLU 9 Cb 0.59 -0.74 0.77 0.00 -1.01 0.00 0.00 31.44 31.04 1jba n GLU 9 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jba h ALA 10 N -2.40 3.45 -0.04 0.62 0.00 -1.85 0.84 119.26 119.89 1jba h ALA 10 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1jba h ALA 10 Cb 0.00 0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1jba h ALA 10 CO 0.00 -2.02 -0.52 0.93 0.00 0.00 0.00 179.25 177.64 1jba h GLU 11 N 0.02 0.42 -0.71 0.00 5.08 -0.35 -3.19 114.58 115.85 1jba h GLU 11 Ca 0.88 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1jba h GLU 11 Cb 3.28 0.10 0.00 0.00 0.50 0.00 0.00 28.75 32.63 1jba h GLU 11 CO -0.15 1.05 0.00 0.39 -1.00 0.00 0.00 179.01 179.30 1jba n GLU 12 N -4.27 3.55 -4.03 2.33 1.02 0.82 -4.79 120.64 115.27 1jba n GLU 12 Ca -0.09 -2.10 -0.31 0.00 -0.02 0.00 0.00 57.16 54.64 1jba n GLU 12 Cb 0.62 -1.98 -0.16 0.00 -0.02 0.00 0.00 31.44 29.90 1jba n GLU 12 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1jba s ASN 13 N -0.55 3.13 0.00 1.62 0.01 0.10 -4.97 114.94 114.29 1jba s ASN 13 Ca 0.36 -0.72 0.00 0.00 -0.71 0.00 0.00 52.86 51.79 1jba s ASN 13 Cb 0.27 -1.26 0.00 0.00 0.41 0.00 0.00 41.25 40.67 1jba s ASN 13 CO 0.11 -0.09 0.66 0.61 -1.51 0.00 0.00 177.10 176.88 1jba n GLY 14 N 4.70 -1.85 3.58 0.66 0.00 -1.26 -4.10 105.19 106.91 1jba n GLY 14 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1jba n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba s ALA 15 N -2.95 3.19 -0.24 4.61 0.00 -1.26 -4.95 121.76 120.17 1jba s ALA 15 Ca 0.00 -2.79 -0.29 0.00 0.00 0.00 0.00 51.96 48.88 1jba s ALA 15 Cb 0.00 -4.63 -0.00 0.00 0.00 0.00 0.00 23.12 18.49 1jba s ALA 15 CO 0.00 -3.37 1.26 0.08 0.00 0.00 0.00 175.76 173.72 1jba s VAL 16 N 4.42 4.26 0.00 0.00 1.01 -1.26 -3.30 120.40 125.53 1jba s VAL 16 Ca 0.53 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.98 1jba s VAL 16 Cb 0.03 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1jba s VAL 16 CO 0.05 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1jba n GLY 17 N 3.92 0.57 0.08 4.51 0.00 -1.26 -4.93 105.19 108.08 1jba n GLY 17 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 1jba n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 18 N 0.00 1.74 0.14 4.61 0.00 -1.21 -4.14 120.51 121.65 1jba n ALA 18 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1jba n ALA 18 Cb 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1jba n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba n ALA 19 N -2.54 1.79 -0.41 0.00 0.00 -1.26 -4.80 120.51 113.30 1jba n ALA 19 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1jba n ALA 19 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.43 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 -3.25 0.00 -0.27 0.00 2.03 -1.26 -2.21 116.55 111.59 1jba n ASP 20 Ca 0.00 0.80 0.18 0.00 0.52 0.00 0.00 54.79 56.29 1jba n ASP 20 Cb 0.00 -0.30 0.48 0.00 -0.72 0.00 0.00 41.12 40.58 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 -1.92 2.12 -0.77 -1.67 0.00 -1.91 0.44 119.26 115.54 1jba h ALA 21 Ca 0.00 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.11 1jba h ALA 21 Cb 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 17.62 1jba h ALA 21 CO 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 179.25 178.77 1jba h ALA 22 N 1.61 0.72 -0.18 0.00 0.00 -1.66 2.44 119.26 122.20 1jba h ALA 22 Ca 0.50 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.65 1jba h ALA 22 Cb 1.15 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1jba h ALA 22 CO -0.22 -0.43 0.05 0.37 0.00 0.00 0.00 179.25 179.02 1jba h GLN 23 N 0.07 0.28 0.00 0.00 5.75 -0.43 -1.56 115.11 119.22 1jba h GLN 23 Ca 0.41 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.83 1jba h GLN 23 Cb 0.71 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.22 1jba h GLN 23 CO -0.71 0.41 -0.05 -0.07 -2.65 0.00 0.00 178.83 175.75 1jba h LEU 24 N 0.10 0.00 -0.13 -2.39 4.07 -0.33 -2.15 115.31 114.48 1jba h LEU 24 Ca 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1jba h LEU 24 Cb 0.25 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 1jba h LEU 24 CO -0.00 0.05 0.06 -0.61 -1.08 0.00 0.00 178.44 176.86 1jba h GLN 25 N 0.00 0.20 -0.89 1.13 4.15 0.50 0.05 115.11 120.24 1jba h GLN 25 Ca -0.00 -0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.46 1jba h GLN 25 Cb 0.31 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.90 1jba h GLN 25 CO 0.01 0.27 0.56 0.93 -1.93 0.00 0.00 178.83 178.66 1jba h GLU 26 N 0.08 0.97 -0.16 1.69 5.08 -1.04 0.36 114.58 121.57 1jba h GLU 26 Ca 0.05 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1jba h GLU 26 Cb 0.14 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1jba h GLU 26 CO -0.00 0.64 -0.07 -1.49 -1.00 0.00 0.00 179.01 177.08 1jba h TRP 27 N 1.00 0.24 0.05 4.33 6.55 -1.23 0.12 115.95 127.01 1jba h TRP 27 Ca 0.40 -0.02 -0.28 0.00 0.95 0.00 0.00 58.89 59.93 1jba h TRP 27 Cb 0.21 -0.07 0.03 0.00 -0.86 0.00 0.00 29.16 28.46 1jba h TRP 27 CO -0.03 0.32 -1.13 -0.92 -1.05 0.00 0.00 178.44 175.63 1jba h TYR 28 N 0.23 1.04 -0.10 0.49 3.20 0.12 0.57 116.97 122.53 1jba h TYR 28 Ca 0.05 -0.60 -0.11 0.00 3.14 0.00 0.00 58.73 61.20 1jba h TYR 28 Cb 0.28 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1jba h TYR 28 CO 0.00 1.44 -0.45 -0.22 -1.64 0.00 0.00 178.16 177.29 1jba h LYS 29 N 0.34 0.23 0.00 1.82 3.64 -0.01 -1.61 116.57 120.99 1jba h LYS 29 Ca -0.16 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 1jba h LYS 29 Cb 1.80 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.62 1jba h LYS 29 CO 0.22 0.65 -0.63 -0.22 -2.27 0.00 0.00 179.45 177.19 1jba h LYS 30 N 0.19 0.00 0.00 1.90 3.11 -0.78 -2.29 116.57 118.70 1jba h LYS 30 Ca 0.01 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1jba h LYS 30 Cb 0.88 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.11 1jba h LYS 30 CO 0.07 0.04 -0.01 0.35 -2.81 0.00 0.00 179.45 177.09 1jba h PHE 31 N 0.00 0.00 0.00 1.91 3.57 -0.61 -3.41 116.94 118.39 1jba h PHE 31 Ca -0.01 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1jba h PHE 31 Cb 1.05 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 1jba h PHE 31 CO 0.00 0.00 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.85 1jba h LEU 32 N -0.50 0.00 0.00 0.59 -0.00 -1.49 -3.46 115.31 110.46 1jba h LEU 32 Ca 0.00 -0.82 0.00 0.00 -0.00 0.00 0.00 57.88 57.06 1jba h LEU 32 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 1jba h LEU 32 CO 0.00 1.00 0.00 1.21 -0.00 0.00 0.00 178.44 180.65 1jba n GLU 33 N -4.61 0.00 -0.16 1.13 4.07 -0.86 -2.52 120.64 117.69 1jba n GLU 33 Ca -0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.98 1jba n GLU 33 Cb 0.45 -0.80 0.00 0.00 -0.06 0.00 0.00 31.44 31.03 1jba n GLU 33 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1jba n GLU 34 N 0.00 0.00 -3.32 5.31 2.13 -1.26 -5.02 120.64 118.48 1jba n GLU 34 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 1jba n GLU 34 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jba n PRO 36 N 0.98 0.85 0.00 0.00 -0.02 -1.26 -4.20 135.00 131.34 1jba n PRO 36 Ca 0.27 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1jba n PRO 36 Cb 0.45 -3.11 0.00 0.00 -0.02 0.00 0.00 33.50 30.82 1jba n PRO 36 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1jba n SER 37 N 15.06 0.00 -4.02 2.55 7.64 -1.26 -5.02 113.62 128.56 1jba n SER 37 Ca 0.42 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.99 1jba n SER 37 Cb 0.46 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1jba n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jba n GLY 38 N 0.00 -0.41 3.22 0.23 0.00 -1.26 -4.91 105.19 102.05 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 -1.59 0.00 0.00 0.00 173.32 171.73 1jba s THR 39 N -3.44 -0.15 0.27 2.61 2.01 -1.26 -0.99 115.64 114.68 1jba s THR 39 Ca 0.52 0.13 0.12 0.00 0.31 0.00 0.00 61.69 62.77 1jba s THR 39 Cb -0.28 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 1jba s THR 39 CO 0.88 0.05 -0.20 -1.48 -0.69 0.00 0.00 174.62 173.18 1jba s LEU 40 N 1.64 2.60 0.38 4.42 0.05 -1.05 -4.98 118.68 121.73 1jba s LEU 40 Ca -0.08 -0.99 -0.00 0.00 0.05 0.00 0.00 54.13 53.11 1jba s LEU 40 Cb -0.10 -1.14 -0.03 0.00 -2.05 0.00 0.00 46.19 42.87 1jba s LEU 40 CO -0.12 0.05 0.60 -0.36 -0.55 0.00 0.00 176.35 175.97 1jba s PHE 41 N -2.38 3.49 0.18 3.48 0.08 -1.26 -2.69 117.98 118.87 1jba s PHE 41 Ca 0.29 0.41 -0.23 0.00 0.12 0.00 0.00 56.93 57.52 1jba s PHE 41 Cb -0.05 -1.99 0.07 0.00 -0.57 0.00 0.00 43.02 40.48 1jba s PHE 41 CO 0.15 0.02 1.58 1.98 -0.10 0.00 0.00 175.22 178.84 1jba h MET 42 N 0.64 -0.20 -1.16 0.44 1.85 -1.97 0.59 114.93 115.10 1jba h MET 42 Ca -0.49 0.01 0.36 0.00 -0.61 0.00 0.00 59.70 58.98 1jba h MET 42 Cb 1.22 0.05 -0.12 0.00 0.43 0.00 0.00 31.60 33.17 1jba h MET 42 CO 0.61 -0.14 0.73 1.25 -0.40 0.00 0.00 176.91 178.97 1jba h HIS 43 N -0.21 0.65 0.00 1.39 6.17 -1.97 1.62 115.15 122.80 1jba h HIS 43 Ca 0.20 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.30 1jba h HIS 43 Cb 0.56 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.32 1jba h HIS 43 CO -0.66 -0.13 -0.06 0.93 0.71 0.00 0.00 177.93 178.73 1jba h GLU 44 N 0.22 0.00 0.15 5.26 4.39 -0.24 -2.63 114.58 121.73 1jba h GLU 44 Ca 0.74 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.43 1jba h GLU 44 Cb 2.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.72 1jba h GLU 44 CO -0.43 0.00 -0.07 0.35 -1.16 0.00 0.00 179.01 177.70 1jba h PHE 45 N 0.00 -0.18 -0.52 4.33 3.57 0.35 -2.43 116.94 122.06 1jba h PHE 45 Ca 0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1jba h PHE 45 Cb 0.85 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1jba h PHE 45 CO 0.00 0.26 -0.02 -0.22 -2.23 0.00 0.00 178.31 176.10 1jba h LYS 46 N -0.86 0.90 0.00 1.11 3.64 -1.56 -2.73 116.57 117.06 1jba h LYS 46 Ca -0.02 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1jba h LYS 46 Cb 0.53 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1jba h LYS 46 CO 0.03 0.91 0.00 -2.13 -2.27 0.00 0.00 179.45 176.00 1jba n ARG 47 N -4.19 0.00 -0.51 1.90 0.63 -0.99 -2.55 116.66 110.95 1jba n ARG 47 Ca 0.02 0.30 0.42 0.00 -0.92 0.00 0.00 57.85 57.67 1jba n ARG 47 Cb 0.33 -1.28 0.73 0.00 0.45 0.00 0.00 32.46 32.69 1jba n ARG 47 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 1jba h PHE 48 N 0.00 0.24 0.00 -0.14 3.57 -1.53 2.84 116.94 121.93 1jba h PHE 48 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1jba h PHE 48 Cb 0.00 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1jba h PHE 48 CO 0.09 -0.08 0.00 0.34 -2.23 0.00 0.00 178.31 176.43 1jba n PHE 49 N -4.32 0.00 0.03 0.41 -0.00 -1.03 -4.34 117.46 108.21 1jba n PHE 49 Ca 0.37 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.88 1jba n PHE 49 Cb 1.58 0.00 0.12 0.00 -0.00 0.00 0.00 39.48 41.18 1jba n PHE 49 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1jba n LYS 50 N -0.49 2.15 -4.04 -4.13 5.02 -1.06 -5.00 118.16 110.62 1jba n LYS 50 Ca 0.00 -1.79 -0.34 0.00 -2.02 0.00 0.00 58.31 54.16 1jba n LYS 50 Cb 0.00 -1.26 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 1jba n LYS 50 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1jba n VAL 51 N 0.58 -1.60 0.00 -0.18 0.24 0.95 -4.93 118.33 113.39 1jba n VAL 51 Ca 0.10 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1jba n VAL 51 Cb 0.39 -1.42 0.00 0.00 -1.47 0.00 0.00 33.84 31.34 1jba n VAL 51 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1jba n PRO 52 N -4.26 2.38 -0.29 7.34 -0.04 -1.26 -5.04 135.00 133.83 1jba n PRO 52 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1jba n PRO 52 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1jba n PRO 52 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1jba n ASP 53 N 0.00 0.00 0.00 3.54 -0.08 -1.26 -5.01 116.55 113.74 1jba n ASP 53 Ca 0.00 -1.07 0.00 0.00 -1.51 0.00 0.00 54.79 52.21 1jba n ASP 53 Cb 0.00 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.45 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 0.00 0.24 0.00 1.67 0.23 -1.26 -5.07 115.26 111.07 1jba n ASN 54 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1jba n ASN 54 Cb 0.51 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 1jba n ASN 54 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1jba n GLU 55 N 0.00 0.00 -0.06 -3.83 0.28 -1.26 -4.96 120.64 110.81 1jba n GLU 55 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 1jba n GLU 55 Cb 0.00 -0.08 -0.05 0.00 1.43 0.00 0.00 31.44 32.74 1jba n GLU 55 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1jba h GLU 56 N 0.00 0.00 0.00 3.44 5.08 -2.04 -3.26 114.58 117.80 1jba h GLU 56 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jba h GLU 56 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1jba h GLU 56 CO 0.00 0.39 0.00 0.00 -1.00 0.00 0.00 179.01 178.40 1jba n ALA 57 N -2.77 1.24 0.52 3.43 0.00 -1.26 -1.20 120.51 120.47 1jba n ALA 57 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1jba n ALA 57 Cb 0.20 -0.83 0.36 0.00 0.00 0.00 0.00 19.45 19.18 1jba n ALA 57 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1jba h THR 58 N 0.00 0.00 0.63 0.00 2.02 -1.94 -3.25 112.91 110.37 1jba h THR 58 Ca 0.00 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1jba h THR 58 Cb 0.00 1.59 0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1jba h THR 58 CO 0.00 0.00 -0.30 -0.61 0.37 0.00 0.00 175.52 174.98 1jba h GLN 59 N 0.00 -0.81 -0.99 6.66 -0.00 -1.40 0.48 115.11 119.05 1jba h GLN 59 Ca 0.00 0.06 0.13 0.00 -0.00 0.00 0.00 58.65 58.84 1jba h GLN 59 Cb 0.79 0.18 -0.09 0.00 0.00 0.00 0.00 27.48 28.36 1jba h GLN 59 CO 0.00 -0.52 0.62 -0.92 0.00 0.00 0.00 178.83 178.02 1jba h TYR 60 N -1.18 1.08 -0.24 3.99 3.20 -1.81 -0.81 116.97 121.21 1jba h TYR 60 Ca -0.09 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.62 1jba h TYR 60 Cb 0.67 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1jba h TYR 60 CO 0.00 0.40 -0.61 0.28 -1.64 0.00 0.00 178.16 176.59 1jba h VAL 61 N 0.91 1.28 -0.93 1.81 2.07 -1.57 -2.40 116.25 117.42 1jba h VAL 61 Ca 0.50 -1.81 0.27 0.00 0.82 0.00 0.00 66.70 66.48 1jba h VAL 61 Cb 0.59 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1jba h VAL 61 CO -0.27 0.58 0.68 -0.08 0.02 0.00 0.00 177.57 178.50 1jba h GLU 62 N 0.61 0.00 0.10 1.57 4.81 0.15 0.73 114.58 122.54 1jba h GLU 62 Ca -0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 1jba h GLU 62 Cb 1.22 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.63 1jba h GLU 62 CO 0.13 0.00 -1.15 0.00 -0.73 0.00 0.00 179.01 177.26 1jba h ALA 63 N 1.52 0.01 -0.03 2.92 0.00 -1.07 -1.86 119.26 120.74 1jba h ALA 63 Ca 0.44 -0.74 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1jba h ALA 63 Cb 1.79 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1jba h ALA 63 CO -0.00 0.64 0.14 0.52 0.00 0.00 0.00 179.25 180.55 1jba h MET 64 N 0.23 0.00 0.08 0.00 2.86 0.90 -1.22 114.93 117.78 1jba h MET 64 Ca -0.17 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.14 1jba h MET 64 Cb 1.83 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.47 1jba h MET 64 CO 0.22 0.00 -1.81 0.34 1.06 0.00 0.00 176.91 176.72 1jba n PHE 65 N -3.18 1.14 0.00 -0.22 -0.00 -0.36 -3.86 117.46 110.97 1jba n PHE 65 Ca -0.02 0.30 0.00 0.00 -0.00 0.00 0.00 57.45 57.74 1jba n PHE 65 Cb 0.21 -1.14 0.00 0.00 -0.00 0.00 0.00 39.48 38.55 1jba n PHE 65 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1jba n ARG 66 N -3.77 0.00 -0.34 -4.13 0.63 -0.51 0.27 116.66 108.81 1jba n ARG 66 Ca -0.33 0.55 0.19 0.00 -0.92 0.00 0.00 57.85 57.33 1jba n ARG 66 Cb 0.94 -1.50 0.42 0.00 0.45 0.00 0.00 32.46 32.77 1jba n ARG 66 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jba h ALA 67 N -1.91 1.91 0.00 5.13 0.00 -1.67 -1.12 119.26 121.61 1jba h ALA 67 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1jba h ALA 67 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1jba h ALA 67 CO 0.00 -0.36 -1.23 0.34 0.00 0.00 0.00 179.25 178.01 1jba n PHE 68 N -4.79 0.99 -3.80 0.00 7.35 -1.17 -4.88 117.46 111.15 1jba n PHE 68 Ca 0.26 0.31 -0.09 0.00 -0.76 0.00 0.00 57.45 57.17 1jba n PHE 68 Cb 0.77 -1.03 -0.06 0.00 0.35 0.00 0.00 39.48 39.50 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 -5.60 0.01 0.00 -2.13 2.15 0.75 -5.05 116.67 106.80 1jba s ASP 69 Ca -0.02 -0.58 0.00 0.00 0.43 0.00 0.00 52.55 52.38 1jba s ASP 69 Cb 0.09 0.39 0.00 0.00 -0.30 0.00 0.00 42.92 43.10 1jba s ASP 69 CO 0.80 -0.79 0.00 1.07 -0.17 0.00 0.00 175.17 176.09 1jba n THR 70 N -0.13 0.00 0.00 1.71 5.66 -1.26 -3.57 114.28 116.70 1jba n THR 70 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1jba n THR 70 Cb 0.63 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 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 0.00 -0.25 1.09 6.94 -1.26 -2.63 115.26 119.15 1jba n ASN 71 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1jba n ASN 71 Cb 0.00 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 36.98 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 -0.72 0.87 0.00 4.83 0.00 -1.26 -5.08 105.19 103.83 1jba n GLY 72 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.25 0.00 0.00 1.61 5.75 -1.08 -5.08 116.55 117.51 1jba n ASP 73 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1jba n ASP 73 Cb 0.09 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.00 0.00 -4.53 -1.12 5.15 -1.26 -5.15 115.26 108.34 1jba n ASN 74 Ca 0.00 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.74 1jba n ASN 74 Cb 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.16 1jba n ASN 74 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1jba s THR 75 N 0.00 2.85 -0.22 -0.44 2.01 -1.26 -4.43 115.64 114.15 1jba s THR 75 Ca 0.00 -2.11 0.02 0.00 0.31 0.00 0.00 61.69 59.91 1jba s THR 75 Cb 0.00 -2.48 0.04 0.00 0.01 0.00 0.00 72.50 70.07 1jba s THR 75 CO 0.00 -0.32 -0.15 -0.51 -0.69 0.00 0.00 174.62 172.95 1jba s ILE 76 N -2.24 2.08 0.82 1.82 1.10 -1.10 -4.96 121.20 118.73 1jba s ILE 76 Ca 0.29 -1.27 -0.11 0.00 -0.51 0.00 0.00 60.65 59.05 1jba s ILE 76 Cb -0.06 -2.04 0.08 0.00 0.15 0.00 0.00 42.46 40.59 1jba s ILE 76 CO 0.16 0.25 1.10 -0.62 -2.11 0.00 0.00 174.94 173.72 1jba s ASP 77 N 1.21 4.09 0.04 4.50 2.15 -1.26 -2.53 116.67 124.87 1jba s ASP 77 Ca -0.02 1.79 -0.12 0.00 0.43 0.00 0.00 52.55 54.63 1jba s ASP 77 Cb -0.16 -2.45 -0.04 0.00 -0.30 0.00 0.00 42.92 39.96 1jba s ASP 77 CO -0.09 -2.29 1.19 0.15 -0.17 0.00 0.00 175.17 173.96 1jba h PHE 78 N -1.31 -0.59 -0.60 -5.34 3.57 -1.42 -2.44 116.94 108.82 1jba h PHE 78 Ca -0.45 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.18 1jba h PHE 78 Cb 1.25 0.27 -0.11 0.00 2.79 0.00 0.00 35.95 40.14 1jba h PHE 78 CO 0.54 -0.18 -0.37 1.25 -2.23 0.00 0.00 178.31 177.32 1jba h LEU 79 N -0.17 -1.27 -0.96 0.59 5.85 -1.85 -0.68 115.31 116.82 1jba h LEU 79 Ca 0.02 0.24 0.14 0.00 0.84 0.00 0.00 57.88 59.12 1jba h LEU 79 Cb 0.22 0.61 -0.15 0.00 0.37 0.00 0.00 40.66 41.72 1jba h LEU 79 CO -0.18 -0.31 -0.41 -0.33 -0.34 0.00 0.00 178.44 176.86 1jba h GLU 80 N -0.18 -0.02 0.13 1.25 5.08 -1.81 1.13 114.58 120.16 1jba h GLU 80 Ca 0.22 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1jba h GLU 80 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1jba h GLU 80 CO -0.69 -0.01 -0.06 -0.92 -1.00 0.00 0.00 179.01 176.32 1jba h TYR 81 N -0.02 -0.16 -0.96 4.33 3.20 -0.79 -2.74 116.97 119.83 1jba h TYR 81 Ca 0.31 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.24 1jba h TYR 81 Cb 0.57 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.83 1jba h TYR 81 CO -0.87 -0.05 0.61 0.28 -1.64 0.00 0.00 178.16 176.49 1jba h VAL 82 N -0.23 1.09 -0.63 1.81 2.07 0.53 -1.92 116.25 118.97 1jba h VAL 82 Ca -0.02 -0.39 0.09 0.00 0.82 0.00 0.00 66.70 67.20 1jba h VAL 82 Cb 0.18 -0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 29.74 1jba h VAL 82 CO 0.03 0.21 0.27 0.00 0.02 0.00 0.00 177.57 178.10 1jba h ALA 83 N 1.43 0.83 -0.95 1.67 0.00 0.15 -1.19 119.26 121.21 1jba h ALA 83 Ca 0.41 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.40 1jba h ALA 83 Cb 0.15 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1jba h ALA 83 CO -0.17 -0.14 0.63 0.00 0.00 0.00 0.00 179.25 179.57 1jba h ALA 84 N 1.41 1.22 -0.07 0.00 0.00 -1.10 -2.40 119.26 118.32 1jba h ALA 84 Ca 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jba h ALA 84 Cb 0.35 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jba h ALA 84 CO -0.28 0.57 0.00 1.28 0.00 0.00 0.00 179.25 180.82 1jba n LEU 85 N -4.44 0.00 -0.45 0.00 4.77 -0.47 0.21 117.00 116.62 1jba n LEU 85 Ca 0.11 0.99 0.41 0.00 -0.03 0.00 0.00 56.01 57.50 1jba n LEU 85 Cb 0.03 -0.49 0.75 0.00 -2.33 0.00 0.00 43.42 41.39 1jba n LEU 85 CO 0.36 -0.49 1.38 -1.13 -1.33 0.00 0.00 177.39 176.19 1jba h ASN 86 N 0.00 0.00 0.00 -1.43 -0.73 -1.49 2.41 115.58 114.33 1jba h ASN 86 Ca 0.00 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.13 1jba h ASN 86 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 1jba h ASN 86 CO 0.00 0.00 -0.35 0.25 -0.37 0.00 0.00 177.43 176.96 1jba h LEU 87 N 0.00 0.00 0.07 0.34 5.85 -0.78 -3.41 115.31 117.38 1jba h LEU 87 Ca 0.70 -0.30 -0.13 0.00 0.84 0.00 0.00 57.88 58.99 1jba h LEU 87 Cb 2.91 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.95 1jba h LEU 87 CO -0.01 0.84 -0.56 1.62 -0.34 0.00 0.00 178.44 179.99 1jba h VAL 88 N -1.00 1.55 -3.55 1.05 3.04 0.39 -3.44 116.25 114.29 1jba h VAL 88 Ca -0.06 -2.35 -0.61 0.00 -1.01 0.00 0.00 66.70 62.67 1jba h VAL 88 Cb 0.57 3.08 -0.12 0.00 -2.01 0.00 0.00 31.29 32.81 1jba h VAL 88 CO -0.04 0.66 -0.08 -0.22 -1.01 0.00 0.00 177.57 176.88 1jba s LEU 89 N -8.10 4.09 0.15 3.16 2.96 0.80 -4.81 118.68 116.93 1jba s LEU 89 Ca -0.15 0.53 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 1jba s LEU 89 Cb 0.01 -2.62 0.00 0.00 0.50 0.00 0.00 46.19 44.08 1jba s LEU 89 CO 0.79 -0.21 0.00 -1.14 -1.32 0.00 0.00 176.35 174.48 1jba n ARG 90 N 5.13 -3.61 0.00 1.98 0.63 -1.26 -3.75 116.66 115.78 1jba n ARG 90 Ca -0.06 2.72 0.00 0.00 -0.92 0.00 0.00 57.85 59.59 1jba n ARG 90 Cb 0.50 -2.76 0.00 0.00 0.45 0.00 0.00 32.46 30.65 1jba n ARG 90 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jba n GLY 91 N 1.12 4.64 0.00 5.14 0.00 -1.26 -4.43 105.19 110.39 1jba n GLY 91 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1jba n GLY 91 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jba n THR 92 N -1.99 0.00 -0.89 2.61 -1.04 -1.26 -5.08 114.28 106.63 1jba n THR 92 Ca 0.00 -0.13 -0.35 0.00 -2.04 0.00 0.00 64.05 61.54 1jba n THR 92 Cb 0.00 0.75 0.08 0.00 -1.82 0.00 0.00 70.33 69.34 1jba n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jba n LEU 93 N -0.42 -3.13 0.04 -4.42 -0.00 -1.26 -4.80 117.00 103.00 1jba n LEU 93 Ca 0.00 0.20 0.10 0.00 -0.00 0.00 0.00 56.01 56.31 1jba n LEU 93 Cb 0.00 -0.94 0.41 0.00 -0.00 0.00 0.00 43.42 42.89 1jba n LEU 93 CO 0.00 -4.55 0.81 -0.62 -0.00 0.00 0.00 177.39 173.03 1jba n GLU 94 N 0.41 0.06 0.19 1.47 1.02 -1.26 -3.39 120.64 119.14 1jba n GLU 94 Ca 0.02 0.24 0.04 0.00 -0.02 0.00 0.00 57.16 57.44 1jba n GLU 94 Cb 0.57 -1.61 0.20 0.00 -0.02 0.00 0.00 31.44 30.58 1jba n GLU 94 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1jba h HIS 95 N 0.00 0.00 -0.03 -0.32 2.76 -1.98 0.99 115.15 116.57 1jba h HIS 95 Ca 0.00 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.97 1jba h HIS 95 Cb 0.35 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 1jba h HIS 95 CO 0.00 0.00 -0.84 -0.22 -1.30 0.00 0.00 177.93 175.57 1jba h LYS 96 N 0.00 0.37 -0.50 5.26 1.63 -1.90 -2.22 116.57 119.21 1jba h LYS 96 Ca 0.00 -0.35 -0.01 0.00 -0.85 0.00 0.00 60.65 59.43 1jba h LYS 96 Cb 1.14 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.83 1jba h LYS 96 CO 0.00 1.02 0.26 -0.07 -3.45 0.00 0.00 179.45 177.21 1jba h LEU 97 N 0.23 0.63 -0.38 5.20 3.38 0.75 0.28 115.31 125.40 1jba h LEU 97 Ca -0.05 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.62 1jba h LEU 97 Cb 1.45 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1jba h LEU 97 CO 0.14 0.56 -0.77 0.50 0.09 0.00 0.00 178.44 178.96 1jba h LYS 98 N 0.66 0.34 0.53 1.13 3.64 -1.62 -2.58 116.57 118.66 1jba h LYS 98 Ca 0.17 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1jba h LYS 98 Cb 0.08 0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1jba h LYS 98 CO -0.02 0.96 -0.25 2.35 -2.27 0.00 0.00 179.45 180.21 1jba h TRP 99 N 0.22 -0.66 -0.77 1.91 -0.00 -1.14 -1.80 115.95 113.71 1jba h TRP 99 Ca -0.04 -0.02 0.14 0.00 -0.00 0.00 0.00 58.89 58.97 1jba h TRP 99 Cb 1.36 0.22 -0.09 0.00 -0.00 0.00 0.00 29.16 30.64 1jba h TRP 99 CO 0.04 -0.41 0.34 0.00 -0.00 0.00 0.00 178.44 178.41 1jba h THR 100 N -1.08 0.70 -0.18 2.65 1.03 -1.06 0.38 112.91 115.34 1jba h THR 100 Ca -0.07 -0.17 0.01 0.00 -0.01 0.00 0.00 66.41 66.16 1jba h THR 100 Cb 0.54 0.15 -0.01 0.00 -1.07 0.00 0.00 68.15 67.76 1jba h THR 100 CO 0.12 0.09 0.12 0.15 -0.01 0.00 0.00 175.52 175.99 1jba h PHE 101 N 0.50 0.20 -0.73 0.00 3.04 -1.48 -1.24 116.94 117.23 1jba h PHE 101 Ca 0.42 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.32 1jba h PHE 101 Cb 0.60 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.01 1jba h PHE 101 CO -0.14 0.13 0.25 -0.22 -2.02 0.00 0.00 178.31 176.31 1jba h LYS 102 N 0.22 1.12 0.26 1.11 1.63 0.67 -2.80 116.57 118.77 1jba h LYS 102 Ca 0.07 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 59.63 1jba h LYS 102 Cb 0.01 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.47 1jba h LYS 102 CO -0.01 0.93 -0.12 0.82 -3.45 0.00 0.00 179.45 177.61 1jba h ILE 103 N 1.08 0.77 -0.87 2.00 1.08 -0.87 -2.11 117.51 118.58 1jba h ILE 103 Ca 0.24 -0.17 0.25 0.00 -0.39 0.00 0.00 64.86 64.80 1jba h ILE 103 Cb 0.26 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 1jba h ILE 103 CO -0.01 0.04 0.66 1.88 -0.69 0.00 0.00 178.15 180.02 1jba h TYR 104 N -0.43 0.00 -1.68 1.37 0.05 -1.35 -3.35 116.97 111.58 1jba h TYR 104 Ca -0.04 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.29 1jba h TYR 104 Cb 0.33 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.03 1jba h TYR 104 CO -0.04 0.00 1.20 0.34 -1.05 0.00 0.00 178.16 178.62 1jba s ASP 105 N -5.46 5.26 -0.16 3.88 2.15 -0.80 -4.77 116.67 116.78 1jba s ASP 105 Ca -0.05 0.07 -0.15 0.00 0.43 0.00 0.00 52.55 52.85 1jba s ASP 105 Cb 0.21 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.24 1jba s ASP 105 CO 0.74 -2.45 -0.29 1.17 -0.17 0.00 0.00 175.17 174.16 1jba n LYS 106 N 9.11 0.47 0.00 4.34 4.81 -1.26 -4.36 118.16 131.27 1jba n LYS 106 Ca 0.25 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1jba n LYS 106 Cb 0.51 -1.40 0.00 0.00 0.02 0.00 0.00 35.03 34.16 1jba n LYS 106 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1jba n ASP 107 N -4.32 0.13 -3.32 3.14 5.68 -1.26 -4.83 116.55 111.77 1jba n ASP 107 Ca -0.12 -0.50 -0.26 0.00 -0.50 0.00 0.00 54.79 53.42 1jba n ASP 107 Cb 0.43 -0.06 0.03 0.00 -1.14 0.00 0.00 41.12 40.38 1jba n ASP 107 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1jba n ARG 108 N -0.04 -1.77 0.00 0.11 1.74 -1.26 -4.91 116.66 110.53 1jba n ARG 108 Ca 0.00 1.47 0.00 0.00 -0.77 0.00 0.00 57.85 58.55 1jba n ARG 108 Cb 0.03 -2.52 0.00 0.00 -1.02 0.00 0.00 32.46 28.95 1jba n ARG 108 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1jba n ASN 109 N 0.10 0.00 0.00 0.55 0.23 -1.26 -5.01 115.26 109.87 1jba n ASN 109 Ca -0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.01 1jba n ASN 109 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 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 0.80 3.15 4.83 0.00 -1.26 -5.06 105.19 107.65 1jba n GLY 110 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.51 2.23 0.09 0.00 1.01 -0.05 -4.77 121.20 116.21 1jba s ILE 112 Ca 0.03 -1.55 0.00 0.00 0.00 0.00 0.00 60.65 59.13 1jba s ILE 112 Cb 0.04 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1jba s ILE 112 CO -0.09 0.24 -0.04 1.51 0.00 0.00 0.00 174.94 176.56 1jba s ASP 113 N -1.63 0.82 0.59 3.58 1.47 -1.26 -2.64 116.67 117.59 1jba s ASP 113 Ca 0.13 -1.04 0.15 0.00 1.18 0.00 0.00 52.55 52.97 1jba s ASP 113 Cb -0.10 0.16 0.51 0.00 -0.34 0.00 0.00 42.92 43.14 1jba s ASP 113 CO 0.04 -0.55 1.10 0.54 0.68 0.00 0.00 175.17 176.99 1jba n ARG 114 N -0.00 0.02 -0.09 2.11 5.12 -1.26 -0.04 116.66 122.52 1jba n ARG 114 Ca -0.12 0.93 -0.17 0.00 -1.93 0.00 0.00 57.85 56.56 1jba n ARG 114 Cb 0.61 -2.40 -0.11 0.00 -1.16 0.00 0.00 32.46 29.41 1jba n ARG 114 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 1jba h GLN 115 N 0.00 0.00 -1.29 5.56 4.15 -1.98 -2.64 115.11 118.91 1jba h GLN 115 Ca 0.28 0.00 0.37 0.00 0.77 0.00 0.00 58.65 60.07 1jba h GLN 115 Cb 2.41 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 30.03 1jba h GLN 115 CO -0.00 0.87 0.92 0.93 -1.93 0.00 0.00 178.83 179.62 1jba h GLU 116 N -1.00 0.05 0.00 1.69 5.08 -0.79 0.56 114.58 120.17 1jba h GLU 116 Ca -0.21 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1jba h GLU 116 Cb 1.10 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1jba h GLU 116 CO -0.12 0.03 -0.24 -0.07 -1.00 0.00 0.00 179.01 177.61 1jba h LEU 117 N 0.05 0.00 -1.36 1.33 3.38 -1.62 -2.43 115.31 114.65 1jba h LEU 117 Ca 0.64 0.00 0.38 0.00 0.09 0.00 0.00 57.88 58.99 1jba h LEU 117 Cb 2.42 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 43.12 1jba h LEU 117 CO -0.06 0.45 1.27 0.25 0.09 0.00 0.00 178.44 180.43 1jba h LEU 118 N -0.65 0.00 0.13 1.67 5.85 -1.07 2.30 115.31 123.53 1jba h LEU 118 Ca 0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 1jba h LEU 118 Cb 0.24 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.28 1jba h LEU 118 CO 0.00 0.00 -1.11 0.44 -0.34 0.00 0.00 178.44 177.43 1jba h ASP 119 N 0.00 0.43 0.35 1.25 5.19 -1.01 -2.73 116.42 119.89 1jba h ASP 119 Ca 0.63 -0.90 -0.02 0.00 -0.62 0.00 0.00 57.03 56.12 1jba h ASP 119 Cb 3.16 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 42.53 1jba h ASP 119 CO -0.01 1.51 -0.17 0.40 -3.12 0.00 0.00 179.24 177.85 1jba h ILE 120 N -0.34 0.57 -0.71 0.35 1.08 0.41 -2.92 117.51 115.95 1jba h ILE 120 Ca -0.22 -0.64 0.15 0.00 -0.39 0.00 0.00 64.86 63.76 1jba h ILE 120 Cb 1.70 0.85 -0.11 0.00 -3.07 0.00 0.00 36.82 36.19 1jba h ILE 120 CO 0.10 0.11 0.14 0.58 -0.69 0.00 0.00 178.15 178.39 1jba h VAL 121 N -0.87 0.52 -0.89 1.67 2.07 -0.52 0.45 116.25 118.67 1jba h VAL 121 Ca -0.05 -0.08 0.24 0.00 0.82 0.00 0.00 66.70 67.63 1jba h VAL 121 Cb 0.53 0.25 -0.14 0.00 -1.52 0.00 0.00 31.29 30.42 1jba h VAL 121 CO 0.08 0.04 0.32 -0.33 0.02 0.00 0.00 177.57 177.70 1jba h GLU 122 N 0.24 0.27 -0.57 1.57 5.08 -1.39 0.58 114.58 120.36 1jba h GLU 122 Ca 0.39 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 1jba h GLU 122 Cb 0.66 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1jba h GLU 122 CO -0.51 0.18 0.23 0.77 -1.00 0.00 0.00 179.01 178.68 1jba h SER 123 N 0.28 0.77 -0.34 1.42 0.02 0.08 -2.48 113.55 113.29 1jba h SER 123 Ca 0.57 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.33 1jba h SER 123 Cb 1.15 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 1jba h SER 123 CO -0.61 0.73 0.15 0.40 -1.14 0.00 0.00 176.83 176.35 1jba h ILE 124 N 0.77 1.16 0.54 3.27 5.03 0.59 -2.76 117.51 126.12 1jba h ILE 124 Ca 0.19 -0.51 -0.03 0.00 -0.12 0.00 0.00 64.86 64.39 1jba h ILE 124 Cb 0.19 0.70 0.01 0.00 -3.03 0.00 0.00 36.82 34.68 1jba h ILE 124 CO -0.02 0.20 -0.26 1.88 -0.68 0.00 0.00 178.15 179.27 1jba h TYR 125 N 0.57 -0.68 0.18 1.37 -1.99 -0.47 -1.86 116.97 114.09 1jba h TYR 125 Ca 0.14 -0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.86 1jba h TYR 125 Cb 0.14 0.22 -0.04 0.00 2.00 0.00 0.00 36.73 39.05 1jba h TYR 125 CO 0.01 -0.38 -0.50 -0.22 -0.00 0.00 0.00 178.16 177.07 1jba h LYS 126 N -0.85 -0.73 -0.06 4.88 3.64 -1.36 -2.24 116.57 119.85 1jba h LYS 126 Ca -0.07 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1jba h LYS 126 Cb 0.61 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1jba h LYS 126 CO 0.12 -0.49 -0.16 1.25 -2.27 0.00 0.00 179.45 177.91 1jba h LEU 127 N -0.76 -0.51 -0.88 5.20 5.85 -1.53 -1.11 115.31 121.57 1jba h LEU 127 Ca -0.02 0.06 0.36 0.00 0.84 0.00 0.00 57.88 59.13 1jba h LEU 127 Cb 0.74 0.20 -0.15 0.00 0.37 0.00 0.00 40.66 41.82 1jba h LEU 127 CO -0.24 -0.13 0.49 1.17 -0.34 0.00 0.00 178.44 179.39 1jba n LYS 128 N -3.42 -0.05 -0.30 1.25 4.81 -0.70 0.18 118.16 119.94 1jba n LYS 128 Ca -0.02 1.17 0.00 0.00 -0.87 0.00 0.00 58.31 58.59 1jba n LYS 128 Cb 0.11 -2.11 0.19 0.00 0.02 0.00 0.00 35.03 33.23 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 1.12 -0.13 1.64 3.64 -0.57 -1.52 116.57 120.74 1jba h LYS 129 Ca 0.73 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 60.04 1jba h LYS 129 Cb 1.96 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 1jba h LYS 129 CO -0.63 0.74 0.00 0.00 -2.27 0.00 0.00 179.45 177.29 1jba n ALA 130 N -2.40 2.51 -1.52 5.00 0.00 0.49 -4.94 120.51 119.64 1jba n ALA 130 Ca 0.11 -0.62 -0.30 0.00 0.00 0.00 0.00 53.44 52.63 1jba n ALA 130 Cb 0.06 -1.01 0.11 0.00 0.00 0.00 0.00 19.45 18.60 1jba n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba s SER 132 N -3.90 4.04 0.00 0.00 0.15 -1.26 -4.92 113.70 107.80 1jba s SER 132 Ca 0.62 -2.30 0.00 0.00 0.70 0.00 0.00 55.95 54.97 1jba s SER 132 Cb -0.15 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 1jba s SER 132 CO 0.54 -0.33 0.00 0.55 1.20 0.00 0.00 173.24 175.20 1jba n VAL 133 N 4.00 0.00 0.00 4.45 3.14 -1.26 -5.04 118.33 123.63 1jba n VAL 133 Ca 0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 1jba n VAL 133 Cb 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 1jba n VAL 133 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1jba n GLU 134 N -1.38 0.11 -2.67 1.45 -0.58 -1.26 -5.08 120.64 111.23 1jba n GLU 134 Ca 0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 1jba n GLU 134 Cb 0.00 -0.52 0.01 0.00 -0.57 0.00 0.00 31.44 30.36 1jba n GLU 134 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1jba n VAL 135 N -0.81 -1.80 0.79 2.62 3.14 -1.26 -4.67 118.33 116.34 1jba n VAL 135 Ca 0.00 0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1jba n VAL 135 Cb 0.02 -1.63 0.00 0.00 -1.06 0.00 0.00 33.84 31.17 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 -0.76 0.58 0.08 1.45 1.02 -1.26 -3.09 120.64 118.66 1jba n GLU 136 Ca -0.10 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.95 1jba n GLU 136 Cb 0.35 -1.18 0.01 0.00 -0.02 0.00 0.00 31.44 30.60 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 1.79 0.56 -0.63 0.62 0.00 -1.97 -3.41 119.26 116.22 1jba h ALA 137 Ca 0.00 -0.67 -0.54 0.00 0.00 0.00 0.00 54.91 53.70 1jba h ALA 137 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1jba h ALA 137 CO 0.00 0.84 -0.20 -1.83 0.00 0.00 0.00 179.25 178.06 1jba s GLU 138 N -3.38 2.26 0.00 0.00 -1.05 -1.18 -4.44 118.70 110.92 1jba s GLU 138 Ca -0.04 -1.86 0.00 0.00 -0.15 0.00 0.00 54.97 52.92 1jba s GLU 138 Cb 0.10 -2.35 0.00 0.00 -0.44 0.00 0.00 34.13 31.44 1jba s GLU 138 CO 0.83 -0.76 0.00 0.94 0.95 0.00 0.00 175.26 177.23 1jba n GLN 139 N -2.01 -1.85 -3.55 -4.83 -0.06 -1.26 -4.87 117.38 98.96 1jba n GLN 139 Ca 0.07 0.22 -0.23 0.00 -2.00 0.00 0.00 57.00 55.06 1jba n GLN 139 Cb 0.63 -3.61 -0.01 0.00 -4.06 0.00 0.00 30.24 23.18 1jba n GLN 139 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 1jba s GLN 140 N -0.92 3.47 -0.79 3.69 2.00 -1.26 -4.97 119.66 120.88 1jba s GLN 140 Ca 0.00 -0.46 -0.26 0.00 -2.00 0.00 0.00 55.36 52.64 1jba s GLN 140 Cb 0.00 -2.73 -0.12 0.00 0.80 0.00 0.00 33.01 30.97 1jba s GLN 140 CO 0.00 0.23 2.32 0.20 -0.50 0.00 0.00 175.29 177.54 1jba s GLY 141 N -4.02 -0.60 0.17 2.59 0.00 -1.26 -4.73 107.32 99.46 1jba s GLY 141 Ca 0.38 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1jba s GLY 141 CO 0.34 4.08 0.00 1.17 0.00 0.00 0.00 173.10 178.69 1jba n LYS 142 N 8.84 -1.46 -3.23 2.90 4.81 -1.26 -4.99 118.16 123.77 1jba n LYS 142 Ca 0.45 0.96 -0.11 0.00 -0.87 0.00 0.00 58.31 58.74 1jba n LYS 142 Cb 0.45 -1.78 -0.04 0.00 0.02 0.00 0.00 35.03 33.67 1jba n LYS 142 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1jba n LEU 143 N 0.00 0.00 -4.33 3.14 4.77 -1.26 -5.02 117.00 114.30 1jba n LEU 143 Ca 0.00 -1.71 -0.17 0.00 -0.03 0.00 0.00 56.01 54.10 1jba n LEU 143 Cb 0.33 0.83 -0.10 0.00 -2.33 0.00 0.00 43.42 42.15 1jba n LEU 143 CO 0.00 -0.28 -0.29 -1.48 -1.33 0.00 0.00 177.39 174.02 1jba s LEU 144 N 0.00 1.94 0.31 2.23 0.05 -1.26 -5.14 118.68 116.80 1jba s LEU 144 Ca 0.19 -1.31 -0.21 0.00 0.05 0.00 0.00 54.13 52.86 1jba s LEU 144 Cb 0.01 -0.13 -0.09 0.00 -2.05 0.00 0.00 46.19 43.93 1jba s LEU 144 CO 0.14 -0.63 0.82 0.42 -0.55 0.00 0.00 176.35 176.55 1jba s THR 145 N -3.58 4.47 -0.55 5.48 -4.23 -1.26 -4.90 115.64 111.06 1jba s THR 145 Ca 0.33 1.39 0.09 0.00 -1.18 0.00 0.00 61.69 62.32 1jba s THR 145 Cb 0.07 -3.80 0.09 0.00 1.34 0.00 0.00 72.50 70.20 1jba s THR 145 CO 0.11 0.02 1.24 -0.81 -0.54 0.00 0.00 174.62 174.64 1jba n PRO 146 N 0.22 0.06 0.06 3.99 -0.04 -1.26 -0.31 135.00 137.72 1jba n PRO 146 Ca 0.02 0.53 0.05 0.00 -0.04 0.00 0.00 63.50 64.06 1jba n PRO 146 Cb 0.52 -1.75 -0.05 0.00 -0.04 0.00 0.00 33.50 32.17 1jba n PRO 146 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1jba n GLU 147 N -1.80 0.62 0.00 0.54 2.13 -1.26 -3.90 120.64 116.96 1jba n GLU 147 Ca -0.01 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1jba n GLU 147 Cb 0.07 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 29.99 1jba n GLU 147 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1jba n GLU 148 N -2.76 0.00 -0.27 5.31 2.13 0.57 -1.53 120.64 124.10 1jba n GLU 148 Ca -0.06 0.49 0.08 0.00 0.66 0.00 0.00 57.16 58.33 1jba n GLU 148 Cb 0.70 -1.45 0.22 0.00 0.27 0.00 0.00 31.44 31.19 1jba n GLU 148 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1jba h VAL 149 N 0.00 0.51 -0.82 6.31 3.04 -1.78 0.54 116.25 124.04 1jba h VAL 149 Ca 0.00 -0.11 0.15 0.00 -1.01 0.00 0.00 66.70 65.73 1jba h VAL 149 Cb 0.00 0.15 -0.06 0.00 -2.01 0.00 0.00 31.29 29.37 1jba h VAL 149 CO 0.00 0.06 0.54 0.58 -1.01 0.00 0.00 177.57 177.74 1jba h VAL 150 N 0.32 0.80 0.00 1.51 2.07 -1.66 0.45 116.25 119.74 1jba h VAL 150 Ca 0.46 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.80 1jba h VAL 150 Cb 0.82 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1jba h VAL 150 CO -0.51 0.10 -0.19 -0.78 0.02 0.00 0.00 177.57 176.21 1jba h ASP 151 N 0.53 0.00 0.00 0.57 3.58 0.11 -3.19 116.42 118.01 1jba h ASP 151 Ca 0.41 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.80 1jba h ASP 151 Cb 0.82 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.87 1jba h ASP 151 CO -0.16 0.02 -0.12 -0.09 -2.88 0.00 0.00 179.24 176.01 1jba h ARG 152 N 0.00 0.00 -0.19 0.28 2.43 0.14 -2.81 114.38 114.23 1jba h ARG 152 Ca 0.00 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1jba h ARG 152 Cb 0.83 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.33 1jba h ARG 152 CO 0.00 0.99 -0.16 0.82 -1.51 0.00 0.00 179.97 180.11 1jba h ILE 153 N -1.00 0.56 -0.33 1.20 2.04 -1.15 -2.21 117.51 116.62 1jba h ILE 153 Ca -0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.86 1jba h ILE 153 Cb 1.02 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1jba h ILE 153 CO -0.02 0.00 0.13 0.15 0.00 0.00 0.00 178.15 178.41 1jba h PHE 154 N -0.17 0.24 -0.05 1.37 3.57 -1.68 -2.85 116.94 117.37 1jba h PHE 154 Ca 0.12 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1jba h PHE 154 Cb 0.34 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1jba h PHE 154 CO -0.30 0.11 -0.19 1.25 -2.23 0.00 0.00 178.31 176.96 1jba h LEU 155 N 0.29 -0.59 -0.64 0.59 7.12 -1.13 2.62 115.31 123.57 1jba h LEU 155 Ca 0.15 0.07 0.06 0.00 0.13 0.00 0.00 57.88 58.29 1jba h LEU 155 Cb 0.10 0.23 -0.10 0.00 -0.53 0.00 0.00 40.66 40.36 1jba h LEU 155 CO -0.13 -0.16 -0.57 -0.07 -0.13 0.00 0.00 178.44 177.38 1jba h LEU 156 N -0.19 -1.97 -0.07 2.25 3.38 -1.42 -2.58 115.31 114.70 1jba h LEU 156 Ca 0.01 0.28 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 1jba h LEU 156 Cb 0.23 0.84 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1jba h LEU 156 CO -0.15 -0.33 -0.10 -0.37 0.09 0.00 0.00 178.44 177.58 1jba h VAL 157 N -0.24 1.39 -0.47 1.22 -1.51 -1.28 -3.35 116.25 112.02 1jba h VAL 157 Ca 0.11 -1.33 -0.68 0.00 -1.23 0.00 0.00 66.70 63.57 1jba h VAL 157 Cb 0.52 2.13 -0.06 0.00 -2.13 0.00 0.00 31.29 31.74 1jba h VAL 157 CO -0.73 0.37 2.54 -0.67 -1.23 0.00 0.00 177.57 177.85 1jba n ASP 158 N -4.67 4.35 -0.02 4.19 2.03 0.88 -4.49 116.55 118.81 1jba n ASP 158 Ca -0.08 -2.87 0.07 0.00 0.52 0.00 0.00 54.79 52.43 1jba n ASP 158 Cb 0.33 -1.69 -0.15 0.00 -0.72 0.00 0.00 41.12 38.89 1jba n ASP 158 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1jba n GLU 159 N 7.43 0.66 -0.06 -0.67 0.28 -1.22 -4.44 120.64 122.61 1jba n GLU 159 Ca 0.50 -0.15 -0.11 0.00 -0.16 0.00 0.00 57.16 57.24 1jba n GLU 159 Cb 0.43 -1.47 -0.05 0.00 1.43 0.00 0.00 31.44 31.78 1jba n GLU 159 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 1jba h ASN 160 N 0.00 0.31 -0.38 -1.84 7.08 -1.92 -3.49 115.58 115.34 1jba h ASN 160 Ca -0.08 -0.25 0.00 0.00 -3.08 0.00 0.00 56.30 52.89 1jba h ASN 160 Cb 1.10 -0.08 0.00 0.00 -2.08 0.00 0.00 38.32 37.26 1jba h ASN 160 CO 0.00 0.49 0.00 0.61 -2.08 0.00 0.00 177.43 176.45 1jba n GLY 161 N -0.46 -0.12 0.00 9.14 0.00 -1.26 -5.07 105.19 107.42 1jba n GLY 161 Ca -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1jba n GLY 161 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jba n ASP 162 N 0.00 0.00 -2.54 1.61 5.68 -1.26 -4.99 116.55 115.05 1jba n ASP 162 Ca 0.00 -0.51 -0.18 0.00 -0.50 0.00 0.00 54.79 53.60 1jba n ASP 162 Cb 0.00 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1jba n ASP 162 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jba n GLY 163 N 0.00 -0.50 2.88 6.12 0.00 -1.26 -4.93 105.19 107.50 1jba n GLY 163 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.17 0.33 -0.53 1.61 -0.21 -1.26 -4.95 119.66 109.48 1jba s GLN 164 Ca 0.06 0.43 -0.13 0.00 0.02 0.00 0.00 55.36 55.74 1jba s GLN 164 Cb -0.03 -0.58 0.13 0.00 1.00 0.00 0.00 33.01 33.53 1jba s GLN 164 CO 0.07 -0.68 0.45 -1.17 -2.12 0.00 0.00 175.29 171.83 1jba s LEU 165 N 2.51 6.00 0.66 2.90 2.96 -1.08 -4.96 118.68 127.66 1jba s LEU 165 Ca 0.12 -1.90 0.02 0.00 -0.22 0.00 0.00 54.13 52.14 1jba s LEU 165 Cb -0.15 -2.12 0.10 0.00 0.50 0.00 0.00 46.19 44.52 1jba s LEU 165 CO -0.17 -0.77 0.91 -0.94 -1.32 0.00 0.00 176.35 174.06 1jba s SER 166 N 3.10 4.66 0.05 3.68 1.04 -1.26 -0.87 113.70 124.10 1jba s SER 166 Ca 0.05 -0.42 -0.26 0.00 0.48 0.00 0.00 55.95 55.81 1jba s SER 166 Cb -0.27 -0.09 -0.13 0.00 0.10 0.00 0.00 66.02 65.63 1jba s SER 166 CO 0.01 -1.63 1.39 0.25 0.98 0.00 0.00 173.24 174.24 1jba h LEU 167 N -0.27 -0.86 -1.00 2.42 5.85 -1.98 0.29 115.31 119.76 1jba h LEU 167 Ca -0.36 0.05 0.35 0.00 0.84 0.00 0.00 57.88 58.76 1jba h LEU 167 Cb 1.28 0.25 -0.16 0.00 0.37 0.00 0.00 40.66 42.39 1jba h LEU 167 CO 0.42 -0.53 0.54 -1.13 -0.34 0.00 0.00 178.44 177.40 1jba h ASN 168 N -0.85 0.42 0.08 1.25 -1.24 -1.95 1.46 115.58 114.74 1jba h ASN 168 Ca -0.08 0.21 -0.17 0.00 0.71 0.00 0.00 56.30 56.98 1jba h ASN 168 Cb 0.68 0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.91 1jba h ASN 168 CO 0.08 -0.24 -0.60 -0.08 -1.29 0.00 0.00 177.43 175.30 1jba h GLU 169 N 0.21 0.53 0.33 6.67 4.81 -1.82 -2.68 114.58 122.63 1jba h GLU 169 Ca 0.76 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 59.62 1jba h GLU 169 Cb 1.83 0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.27 1jba h GLU 169 CO -0.67 0.97 -0.16 0.35 -0.73 0.00 0.00 179.01 178.78 1jba h PHE 170 N 0.39 -0.41 -0.91 0.92 3.57 0.57 -1.93 116.94 119.14 1jba h PHE 170 Ca -0.00 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.73 1jba h PHE 170 Cb 1.16 0.14 -0.13 0.00 2.79 0.00 0.00 35.95 39.90 1jba h PHE 170 CO 0.05 -0.26 0.36 -0.39 -2.23 0.00 0.00 178.31 175.84 1jba h VAL 171 N -0.50 0.39 -0.10 1.41 -1.51 -1.26 2.52 116.25 117.19 1jba h VAL 171 Ca -0.05 -0.11 0.03 0.00 -1.23 0.00 0.00 66.70 65.34 1jba h VAL 171 Cb 0.34 0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 29.54 1jba h VAL 171 CO 0.07 0.06 0.07 -0.33 -1.23 0.00 0.00 177.57 176.21 1jba h GLU 172 N 0.32 0.02 0.00 5.19 5.08 -1.37 0.87 114.58 124.68 1jba h GLU 172 Ca 0.58 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.94 1jba h GLU 172 Cb 1.17 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1jba h GLU 172 CO -0.59 0.01 -1.12 0.41 -1.00 0.00 0.00 179.01 176.72 1jba n GLY 173 N -1.56 -0.58 0.01 -3.84 0.00 0.38 -4.26 105.19 95.35 1jba n GLY 173 Ca -0.01 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.63 2.98 0.59 4.61 0.00 0.75 -3.59 120.51 124.22 1jba n ALA 174 Ca 0.01 -0.53 0.12 0.00 0.00 0.00 0.00 53.44 53.04 1jba n ALA 174 Cb 0.31 -0.75 0.21 0.00 0.00 0.00 0.00 19.45 19.22 1jba n ALA 174 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1jba n ARG 175 N -2.19 0.28 -0.03 0.00 0.63 0.30 -4.46 116.66 111.17 1jba n ARG 175 Ca -0.03 0.10 -0.03 0.00 -0.92 0.00 0.00 57.85 56.97 1jba n ARG 175 Cb 0.55 -1.70 -0.01 0.00 0.45 0.00 0.00 32.46 31.75 1jba n ARG 175 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1jba n ARG 176 N -2.11 0.20 -1.17 -0.14 1.74 -1.26 -4.99 116.66 108.93 1jba n ARG 176 Ca 0.04 0.10 -0.33 0.00 -0.77 0.00 0.00 57.85 56.89 1jba n ARG 176 Cb 0.43 -0.88 0.12 0.00 -1.02 0.00 0.00 32.46 31.11 1jba n ARG 176 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jba s ASP 177 N -4.71 3.85 -0.07 0.55 -1.08 -1.24 -4.96 116.67 109.01 1jba s ASP 177 Ca -0.11 2.19 0.07 0.00 -0.52 0.00 0.00 52.55 54.18 1jba s ASP 177 Cb 0.01 -2.57 -0.09 0.00 -1.46 0.00 0.00 42.92 38.81 1jba s ASP 177 CO 0.16 -2.48 0.03 2.29 0.52 0.00 0.00 175.17 175.69 1jba n LYS 178 N -3.36 2.68 0.13 4.34 2.85 -1.26 -4.51 118.16 119.03 1jba n LYS 178 Ca 0.12 -0.01 0.13 0.00 -1.05 0.00 0.00 58.31 57.50 1jba n LYS 178 Cb 0.51 -1.19 0.42 0.00 -0.65 0.00 0.00 35.03 34.13 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 0.00 0.27 5.58 7.01 -1.98 -3.15 115.95 123.68 1jba h TRP 179 Ca -0.19 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.79 1jba h TRP 179 Cb 1.41 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.47 1jba h TRP 179 CO 0.00 0.00 -0.13 0.28 -2.79 0.00 0.00 178.44 175.80 1jba h VAL 180 N 0.00 0.00 -0.68 2.65 2.07 -1.91 -2.61 116.25 115.77 1jba h VAL 180 Ca 0.00 -0.31 0.11 0.00 0.82 0.00 0.00 66.70 67.32 1jba h VAL 180 Cb 0.65 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 1jba h VAL 180 CO 0.00 0.00 0.27 -0.03 0.02 0.00 0.00 177.57 177.83 1jba h MET 181 N -0.68 0.44 0.30 1.57 1.85 -1.81 -2.52 114.93 114.07 1jba h MET 181 Ca -0.04 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.03 1jba h MET 181 Cb 0.28 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.18 1jba h MET 181 CO 0.06 0.29 -0.47 -0.22 -0.40 0.00 0.00 176.91 176.17 1jba h LYS 182 N 0.45 -0.80 0.11 0.39 1.63 -1.64 0.20 116.57 116.91 1jba h LYS 182 Ca 0.35 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.20 1jba h LYS 182 Cb 0.46 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 1jba h LYS 182 CO -0.34 -0.53 -0.13 1.98 -3.45 0.00 0.00 179.45 176.98 1jba h MET 183 N -0.83 -0.24 -0.77 1.90 4.05 -1.11 -1.26 114.93 116.68 1jba h MET 183 Ca -0.02 0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.50 1jba h MET 183 Cb 0.78 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.56 1jba h MET 183 CO -0.16 -0.16 0.43 1.37 0.23 0.00 0.00 176.91 178.62 1jba h LEU 184 N -0.25 0.61 0.00 3.39 8.10 -1.50 -3.30 115.31 122.36 1jba h LEU 184 Ca -0.01 0.05 0.00 0.00 0.11 0.00 0.00 57.88 58.02 1jba h LEU 184 Cb 0.22 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.37 1jba h LEU 184 CO -0.03 0.36 0.00 1.67 -4.11 0.00 0.00 178.44 176.32 1jba n GLN 185 N -4.78 0.00 0.00 0.17 -0.06 0.70 -5.02 117.38 108.39 1jba n GLN 185 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.12 1jba n GLN 185 Cb 0.26 -0.82 0.00 0.00 -4.06 0.00 0.00 30.24 25.61 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 -0.40 0.00 0.00 3.69 0.00 -0.48 -5.03 117.12 114.89 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 -0.04 6.12 5.68 -1.26 -4.60 116.55 122.45 1jba n ASP 187 Ca 0.00 -0.11 0.12 0.00 -0.50 0.00 0.00 54.79 54.31 1jba n ASP 187 Cb 0.00 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.29 1jba n ASP 187 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1jba n LEU 188 N 0.00 0.54 -0.23 -2.12 4.77 -1.26 -4.29 117.00 114.42 1jba n LEU 188 Ca 0.00 -0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1jba n LEU 188 Cb 0.03 -0.25 0.06 0.00 -2.33 0.00 0.00 43.42 40.93 1jba n LEU 188 CO 0.00 0.12 0.70 -1.13 -1.33 0.00 0.00 177.39 175.75 1jba h ASN 189 N 0.21 -0.80 0.00 -1.43 -1.24 -1.92 -3.53 115.58 106.87 1jba h ASN 189 Ca 0.00 0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.22 1jba h ASN 189 Cb 0.50 0.47 0.00 0.00 0.73 0.00 0.00 38.32 40.02 1jba h ASN 189 CO 0.00 -0.25 0.00 -0.81 -1.29 0.00 0.00 177.43 175.08