#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 0.00 1.61 6.02 -1.26 -4.90 117.38 118.85 1jba n GLN 3 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1jba n GLN 3 Cb 0.00 -0.47 0.00 0.00 1.02 0.00 0.00 30.24 30.79 1jba n GLN 3 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jba n GLN 4 N -1.20 0.81 -3.63 -1.09 -0.00 -1.26 -5.03 117.38 105.98 1jba n GLN 4 Ca 0.00 -0.73 -0.25 0.00 -0.00 0.00 0.00 57.00 56.01 1jba n GLN 4 Cb 0.00 -0.73 0.04 0.00 -0.00 0.00 0.00 30.24 29.55 1jba n GLN 4 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1jba n PHE 5 N -0.16 -1.99 -0.91 2.61 3.72 -1.26 -4.75 117.46 114.72 1jba n PHE 5 Ca 0.00 0.65 0.00 0.00 -0.05 0.00 0.00 57.45 58.05 1jba n PHE 5 Cb 0.30 -3.84 0.00 0.00 -0.94 0.00 0.00 39.48 35.00 1jba n PHE 5 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1jba n SER 6 N -2.90 0.00 -1.11 4.37 3.41 -1.26 -4.69 113.62 111.44 1jba n SER 6 Ca -0.16 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.43 1jba n SER 6 Cb 0.63 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.59 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 0.29 -0.66 7.33 8.01 -1.26 -4.47 117.44 126.68 1jba n TRP 7 Ca 0.00 -0.62 0.50 0.00 -1.31 0.00 0.00 57.50 56.07 1jba n TRP 7 Cb 0.00 -0.31 0.78 0.00 -2.01 0.00 0.00 31.31 29.77 1jba n TRP 7 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1jba n GLU 8 N 0.34 -0.01 0.05 -0.99 0.00 -1.26 -1.17 120.64 117.60 1jba n GLU 8 Ca 0.06 1.10 -0.02 0.00 0.00 0.00 0.00 57.16 58.29 1jba n GLU 8 Cb 0.61 -2.45 -0.01 0.00 0.00 0.00 0.00 31.44 29.59 1jba n GLU 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1jba h GLU 9 N 0.00 -0.13 -0.95 5.31 5.08 -1.99 -2.05 114.58 119.85 1jba h GLU 9 Ca 0.91 0.01 0.28 0.00 -1.00 0.00 0.00 59.36 59.56 1jba h GLU 9 Cb 3.54 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 32.78 1jba h GLU 9 CO -0.10 -0.09 1.03 0.00 -1.00 0.00 0.00 179.01 178.85 1jba h ALA 10 N -1.85 2.83 0.08 3.43 0.00 -1.50 1.25 119.26 123.51 1jba h ALA 10 Ca -0.01 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.58 1jba h ALA 10 Cb 0.10 0.07 0.03 0.00 0.00 0.00 0.00 17.79 17.99 1jba h ALA 10 CO 0.02 -1.52 -1.16 1.49 0.00 0.00 0.00 179.25 178.08 1jba h GLU 11 N 0.00 0.64 -0.01 0.00 4.81 -1.29 -3.12 114.58 115.61 1jba h GLU 11 Ca 0.45 -0.80 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1jba h GLU 11 Cb 2.50 0.25 0.00 0.00 0.63 0.00 0.00 28.75 32.14 1jba h GLU 11 CO -0.00 1.36 0.00 0.39 -0.73 0.00 0.00 179.01 180.02 1jba n GLU 12 N -3.84 1.07 -3.54 1.92 -0.58 0.42 -4.42 120.64 111.68 1jba n GLU 12 Ca -0.13 -0.11 -0.41 0.00 -0.42 0.00 0.00 57.16 56.09 1jba n GLU 12 Cb 0.94 -1.39 -0.06 0.00 -0.57 0.00 0.00 31.44 30.37 1jba n GLU 12 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1jba s ASN 13 N -1.77 6.09 0.96 1.62 2.47 -0.43 -5.02 114.94 118.86 1jba s ASN 13 Ca 0.37 -3.07 0.00 0.00 0.42 0.00 0.00 52.86 50.57 1jba s ASN 13 Cb 0.17 -2.01 0.00 0.00 -1.45 0.00 0.00 41.25 37.96 1jba s ASN 13 CO 0.28 -0.38 0.00 0.61 -3.72 0.00 0.00 177.10 173.89 1jba n GLY 14 N 3.30 1.02 3.32 1.21 0.00 -1.26 -3.46 105.19 109.32 1jba n GLY 14 Ca 0.14 -0.62 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.96 3.54 0.00 4.61 0.00 -1.26 -4.53 121.76 122.16 1jba s ALA 15 Ca 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 51.96 49.61 1jba s ALA 15 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1jba s ALA 15 CO 0.00 -1.87 0.00 0.28 0.00 0.00 0.00 175.76 174.17 1jba n VAL 16 N 5.15 0.00 0.00 0.00 0.31 -1.26 -4.03 118.33 118.50 1jba n VAL 16 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1jba n VAL 16 Cb 0.42 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 1jba n VAL 16 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jba n GLY 17 N -1.43 0.64 1.42 2.92 0.00 -1.22 -3.27 105.19 104.24 1jba n GLY 17 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1jba n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 18 N 0.00 0.00 -1.07 4.61 0.00 -1.26 -5.01 120.51 117.78 1jba n ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jba n ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1jba n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba n ALA 19 N -2.99 0.57 -1.00 0.00 0.00 -1.20 -5.02 120.51 110.86 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 -0.25 0.00 0.00 0.00 177.50 177.25 1jba n ASP 20 N 0.00 0.00 -0.32 0.00 8.00 -1.25 -1.95 116.55 121.03 1jba n ASP 20 Ca 0.00 0.02 0.21 0.00 0.71 0.00 0.00 54.79 55.73 1jba n ASP 20 Cb 0.19 0.00 0.40 0.00 -0.02 0.00 0.00 41.12 41.68 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jba n ALA 21 N -2.90 0.69 -0.30 2.24 0.00 -1.26 0.14 120.51 119.12 1jba n ALA 21 Ca 0.00 1.00 0.13 0.00 0.00 0.00 0.00 53.44 54.57 1jba n ALA 21 Cb 0.00 -0.84 0.30 0.00 0.00 0.00 0.00 19.45 18.91 1jba n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba h ALA 22 N 1.90 1.33 -0.36 0.00 0.00 -1.90 0.58 119.26 120.81 1jba h ALA 22 Ca 0.67 0.21 -0.16 0.00 0.00 0.00 0.00 54.91 55.63 1jba h ALA 22 Cb 1.59 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1jba h ALA 22 CO -0.82 -0.45 -0.41 1.96 0.00 0.00 0.00 179.25 179.53 1jba h GLN 23 N 0.25 0.90 -0.18 0.00 4.20 0.19 -2.81 115.11 117.66 1jba h GLN 23 Ca 0.56 -0.48 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 1jba h GLN 23 Cb 1.12 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 1jba h GLN 23 CO -0.62 1.13 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.48 1jba h LEU 24 N 0.73 0.27 0.60 1.46 -0.00 0.16 0.73 115.31 119.25 1jba h LEU 24 Ca 0.05 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1jba h LEU 24 Cb 1.00 -0.07 0.01 0.00 -0.00 0.00 0.00 40.66 41.59 1jba h LEU 24 CO 0.10 0.42 -0.29 -0.61 -0.00 0.00 0.00 178.44 178.06 1jba h GLN 25 N 0.27 -0.77 -0.26 1.13 -0.00 0.14 0.14 115.11 115.77 1jba h GLN 25 Ca 0.06 0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.71 1jba h GLN 25 Cb 0.38 0.18 -0.01 0.00 0.00 0.00 0.00 27.48 28.02 1jba h GLN 25 CO 0.02 -0.47 -0.06 1.49 0.00 0.00 0.00 178.83 179.82 1jba h GLU 26 N -0.95 0.40 0.00 1.69 4.57 -1.37 -1.12 114.58 117.80 1jba h GLU 26 Ca -0.08 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 57.97 1jba h GLU 26 Cb 0.66 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 1jba h GLU 26 CO 0.13 0.47 -0.18 2.35 -1.18 0.00 0.00 179.01 180.60 1jba h TRP 27 N 0.38 0.00 0.19 0.92 7.01 -0.64 -1.84 115.95 121.97 1jba h TRP 27 Ca 0.08 0.00 -0.32 0.00 2.11 0.00 0.00 58.89 60.76 1jba h TRP 27 Cb 0.35 0.00 0.02 0.00 -2.10 0.00 0.00 29.16 27.42 1jba h TRP 27 CO 0.01 0.18 -1.51 -0.92 -2.79 0.00 0.00 178.44 173.42 1jba h TYR 28 N 0.00 0.74 -0.24 2.65 3.20 0.49 -2.71 116.97 121.10 1jba h TYR 28 Ca -0.00 -0.54 -0.12 0.00 3.14 0.00 0.00 58.73 61.21 1jba h TYR 28 Cb 0.63 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1jba h TYR 28 CO 0.00 1.50 -0.34 0.87 -1.64 0.00 0.00 178.16 178.55 1jba h LYS 29 N 0.11 0.51 -0.20 1.82 1.79 -1.13 -2.34 116.57 117.13 1jba h LYS 29 Ca -0.25 -0.23 -0.18 0.00 -2.18 0.00 0.00 60.65 57.81 1jba h LYS 29 Cb 2.09 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.74 1jba h LYS 29 CO 0.22 0.78 -0.58 -0.22 -1.08 0.00 0.00 179.45 178.58 1jba h LYS 30 N 0.43 0.74 0.00 3.15 3.64 -1.42 -2.66 116.57 120.45 1jba h LYS 30 Ca 0.05 -0.53 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 1jba h LYS 30 Cb 0.80 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1jba h LYS 30 CO 0.07 1.15 -0.13 0.35 -2.27 0.00 0.00 179.45 178.62 1jba h PHE 31 N 0.45 0.00 -0.00 1.91 3.04 -1.37 -1.45 116.94 119.52 1jba h PHE 31 Ca -0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1jba h PHE 31 Cb 1.20 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.71 1jba h PHE 31 CO 0.09 0.13 -0.40 1.28 -2.02 0.00 0.00 178.31 177.38 1jba n LEU 32 N -3.71 0.43 0.11 0.59 4.77 -0.89 -3.69 117.00 114.61 1jba n LEU 32 Ca -0.02 0.08 0.03 0.00 -0.03 0.00 0.00 56.01 56.07 1jba n LEU 32 Cb 0.24 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1jba n LEU 32 CO 0.31 0.10 0.23 -0.08 -1.33 0.00 0.00 177.39 176.62 1jba h GLU 33 N 0.05 0.00 -0.01 3.23 4.57 -0.91 -3.26 114.58 118.25 1jba h GLU 33 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jba h GLU 33 Cb 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1jba h GLU 33 CO 0.00 0.36 -0.42 0.39 -1.18 0.00 0.00 179.01 178.16 1jba n GLU 34 N -3.07 0.79 -3.30 1.92 -0.58 -1.20 -4.72 120.64 110.49 1jba n GLU 34 Ca -0.02 -0.56 -0.09 0.00 -0.42 0.00 0.00 57.16 56.08 1jba n GLU 34 Cb 0.74 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 30.07 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jba s PRO 36 N 2.13 2.22 0.00 0.00 0.02 -1.25 -3.69 135.00 134.42 1jba s PRO 36 Ca 0.13 0.97 0.00 0.00 0.02 0.00 0.00 61.00 62.12 1jba s PRO 36 Cb -0.12 -4.58 0.00 0.00 0.02 0.00 0.00 34.50 29.82 1jba s PRO 36 CO -0.19 -3.26 0.00 0.45 -0.33 0.00 0.00 177.00 173.67 1jba n SER 37 N 15.20 0.00 -0.12 2.53 2.88 -1.26 -5.00 113.62 127.84 1jba n SER 37 Ca 0.33 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.86 1jba n SER 37 Cb 0.52 0.04 -0.01 0.00 -0.75 0.00 0.00 64.21 64.02 1jba n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jba n GLY 38 N -0.87 0.46 3.26 0.46 0.00 -1.24 -5.02 105.19 102.23 1jba n GLY 38 Ca 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1jba n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jba s THR 39 N -2.06 0.07 0.04 2.61 -4.23 -1.26 -4.39 115.64 106.43 1jba s THR 39 Ca 0.00 -0.61 0.04 0.00 -1.18 0.00 0.00 61.69 59.94 1jba s THR 39 Cb 0.00 -0.86 -0.04 0.00 1.34 0.00 0.00 72.50 72.94 1jba s THR 39 CO 0.00 -0.34 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.48 1jba s LEU 40 N -1.88 3.27 0.17 4.79 0.20 -0.12 -4.92 118.68 120.18 1jba s LEU 40 Ca -0.07 -0.18 0.05 0.00 0.69 0.00 0.00 54.13 54.62 1jba s LEU 40 Cb -0.02 -1.94 -0.05 0.00 -0.43 0.00 0.00 46.19 43.75 1jba s LEU 40 CO -0.01 0.24 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.83 1jba s PHE 41 N -1.12 1.37 0.27 5.38 0.40 -1.26 -2.33 117.98 120.67 1jba s PHE 41 Ca 0.20 -0.75 -0.09 0.00 -0.60 0.00 0.00 56.93 55.69 1jba s PHE 41 Cb -0.11 -0.70 0.41 0.00 0.51 0.00 0.00 43.02 43.13 1jba s PHE 41 CO 0.12 0.11 1.57 0.00 0.70 0.00 0.00 175.22 177.71 1jba h MET 42 N 2.71 -0.00 0.00 0.44 -0.00 -1.98 0.23 114.93 116.33 1jba h MET 42 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.33 1jba h MET 42 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.80 1jba h MET 42 CO 0.63 -0.00 0.00 -2.39 -0.00 0.00 0.00 176.91 175.15 1jba n HIS 43 N -5.59 0.00 0.32 -0.10 -0.00 -1.26 -2.00 115.22 106.59 1jba n HIS 43 Ca 0.14 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.92 1jba n HIS 43 Cb 0.47 -0.46 0.28 0.00 -0.00 0.00 0.00 29.99 30.28 1jba n HIS 43 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1jba h GLU 44 N 0.00 0.00 0.07 -1.40 4.39 -1.90 -0.77 114.58 114.96 1jba h GLU 44 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jba h GLU 44 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1jba h GLU 44 CO 0.00 0.00 -0.03 0.35 -1.16 0.00 0.00 179.01 178.17 1jba h PHE 45 N 0.00 -0.08 -1.25 4.33 3.57 -0.35 -2.43 116.94 120.72 1jba h PHE 45 Ca 0.01 -0.00 0.37 0.00 3.53 0.00 0.00 57.97 61.87 1jba h PHE 45 Cb 1.57 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 40.25 1jba h PHE 45 CO 0.00 -0.05 0.84 1.57 -2.23 0.00 0.00 178.31 178.44 1jba h LYS 46 N -0.56 0.16 0.00 1.11 2.10 -0.52 0.28 116.57 119.14 1jba h LYS 46 Ca -0.01 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1jba h LYS 46 Cb 0.07 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1jba h LYS 46 CO 0.01 0.11 0.00 0.54 -2.00 0.00 0.00 179.45 178.11 1jba n ARG 47 N -4.49 0.00 -0.33 0.07 1.74 -0.89 -1.49 116.66 111.27 1jba n ARG 47 Ca 0.31 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.42 1jba n ARG 47 Cb 1.25 -0.53 0.10 0.00 -1.02 0.00 0.00 32.46 32.26 1jba n ARG 47 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1jba h PHE 48 N 0.00 -0.61 0.00 -1.55 -1.00 -1.32 1.07 116.94 113.52 1jba h PHE 48 Ca 0.00 0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1jba h PHE 48 Cb 0.00 0.41 0.00 0.00 3.61 0.00 0.00 35.95 39.97 1jba h PHE 48 CO 0.00 -0.39 0.00 0.34 -1.61 0.00 0.00 178.31 176.65 1jba n PHE 49 N -5.56 0.00 -3.50 -0.55 7.35 0.97 -4.19 117.46 111.99 1jba n PHE 49 Ca 0.13 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.48 1jba n PHE 49 Cb 0.44 -0.09 -0.06 0.00 0.35 0.00 0.00 39.48 40.12 1jba n PHE 49 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1jba n LYS 50 N -0.86 2.85 0.15 -4.13 3.00 -0.55 -4.86 118.16 113.76 1jba n LYS 50 Ca 0.00 -4.55 0.07 0.00 -0.00 0.00 0.00 58.31 53.83 1jba n LYS 50 Cb 0.00 -2.38 0.06 0.00 0.00 0.00 0.00 35.03 32.71 1jba n LYS 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 1jba h VAL 51 N 3.74 0.40 -1.55 3.15 3.04 0.12 -3.40 116.25 121.74 1jba h VAL 51 Ca 0.18 -1.60 -0.43 0.00 -1.01 0.00 0.00 66.70 63.83 1jba h VAL 51 Cb 0.73 2.10 -0.04 0.00 -2.01 0.00 0.00 31.29 32.07 1jba h VAL 51 CO 0.92 0.23 1.15 -2.16 -1.01 0.00 0.00 177.57 176.70 1jba s PRO 52 N -3.10 2.61 0.52 4.17 0.05 -1.26 -4.67 135.00 133.31 1jba s PRO 52 Ca 0.04 0.30 0.00 0.00 0.05 0.00 0.00 61.00 61.38 1jba s PRO 52 Cb 0.07 -4.62 0.00 0.00 0.05 0.00 0.00 34.50 30.00 1jba s PRO 52 CO 0.73 -2.95 0.00 -0.25 0.05 0.00 0.00 177.00 174.59 1jba n ASP 53 N 13.14 -7.95 0.00 6.66 8.00 -1.26 -5.09 116.55 130.05 1jba n ASP 53 Ca 0.27 1.42 0.00 0.00 0.71 0.00 0.00 54.79 57.19 1jba n ASP 53 Cb 0.50 -4.50 0.00 0.00 -0.02 0.00 0.00 41.12 37.10 1jba n ASP 53 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jba n ASN 54 N -1.65 0.00 0.00 -2.24 3.02 -1.26 -4.94 115.26 108.19 1jba n ASN 54 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1jba n ASN 54 Cb 0.21 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1jba n ASN 54 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jba n GLU 55 N 0.00 0.00 -0.02 3.52 1.02 -1.26 -2.69 120.64 121.21 1jba n GLU 55 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1jba n GLU 55 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 1jba n GLU 55 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1jba h GLU 56 N 0.00 -0.00 -2.03 3.49 5.08 -1.99 -3.14 114.58 115.99 1jba h GLU 56 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1jba h GLU 56 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1jba h GLU 56 CO 0.00 0.56 -0.02 0.00 -1.00 0.00 0.00 179.01 178.55 1jba n ALA 57 N -2.39 3.51 -0.03 3.43 0.00 -1.10 -3.39 120.51 120.55 1jba n ALA 57 Ca -0.09 -0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.26 1jba n ALA 57 Cb 0.28 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.21 1jba n ALA 57 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1jba n THR 58 N 1.74 0.30 -0.03 0.00 5.66 -1.19 -4.31 114.28 116.45 1jba n THR 58 Ca 0.03 -0.52 -0.17 0.00 -3.05 0.00 0.00 64.05 60.35 1jba n THR 58 Cb 0.40 -0.08 -0.07 0.00 -1.55 0.00 0.00 70.33 69.03 1jba n THR 58 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 1jba h GLN 59 N 0.00 0.73 -0.06 1.09 5.75 -1.81 -2.64 115.11 118.17 1jba h GLN 59 Ca -0.12 -0.57 0.03 0.00 -0.15 0.00 0.00 58.65 57.84 1jba h GLN 59 Cb 1.18 0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.81 1jba h GLN 59 CO 0.01 1.19 -0.13 -0.92 -2.65 0.00 0.00 178.83 176.32 1jba h TYR 60 N 0.43 -0.33 0.33 3.99 5.03 -1.84 0.15 116.97 124.74 1jba h TYR 60 Ca -0.04 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 1jba h TYR 60 Cb 1.30 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.73 1jba h TYR 60 CO 0.09 -0.19 -0.23 0.28 -1.32 0.00 0.00 178.16 176.79 1jba h VAL 61 N -0.19 0.51 -0.90 1.81 2.07 -1.75 -2.00 116.25 115.81 1jba h VAL 61 Ca 0.06 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.79 1jba h VAL 61 Cb 0.28 0.51 -0.12 0.00 -1.52 0.00 0.00 31.29 30.45 1jba h VAL 61 CO -0.17 0.00 0.43 -0.33 0.02 0.00 0.00 177.57 177.52 1jba h GLU 62 N -0.55 0.48 -0.97 1.57 5.08 -1.20 0.50 114.58 119.49 1jba h GLU 62 Ca -0.03 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.43 1jba h GLU 62 Cb 0.47 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.53 1jba h GLU 62 CO 0.01 0.32 0.61 0.00 -1.00 0.00 0.00 179.01 178.95 1jba h ALA 63 N 1.67 1.60 0.83 3.43 0.00 -0.23 -1.71 119.26 124.86 1jba h ALA 63 Ca 0.54 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.43 1jba h ALA 63 Cb 0.96 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1jba h ALA 63 CO -0.47 0.16 -0.48 1.98 0.00 0.00 0.00 179.25 180.43 1jba h MET 64 N 0.92 -1.18 -0.21 0.00 1.85 0.38 -0.85 114.93 115.84 1jba h MET 64 Ca 0.48 0.08 0.06 0.00 -0.61 0.00 0.00 59.70 59.71 1jba h MET 64 Cb 0.53 0.27 -0.01 0.00 0.43 0.00 0.00 31.60 32.82 1jba h MET 64 CO -0.24 -0.79 0.42 0.35 -0.40 0.00 0.00 176.91 176.25 1jba h PHE 65 N -1.23 0.00 0.00 1.39 3.04 -1.17 0.41 116.94 119.39 1jba h PHE 65 Ca -0.11 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.84 1jba h PHE 65 Cb 0.97 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.48 1jba h PHE 65 CO -0.08 0.00 -0.03 0.00 -2.02 0.00 0.00 178.31 176.19 1jba h ARG 66 N 0.00 0.00 0.00 1.11 2.47 -0.40 -3.00 114.38 114.56 1jba h ARG 66 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1jba h ARG 66 Cb 0.94 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.26 1jba h ARG 66 CO -0.00 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.53 1jba n ALA 67 N -2.56 2.00 -0.10 0.04 0.00 -0.42 -3.62 120.51 115.85 1jba n ALA 67 Ca -0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1jba n ALA 67 Cb 0.01 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.00 1jba n ALA 67 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jba n PHE 68 N -1.46 0.99 -1.63 0.00 7.35 0.14 -4.78 117.46 118.08 1jba n PHE 68 Ca 0.06 0.42 -0.43 0.00 -0.76 0.00 0.00 57.45 56.73 1jba n PHE 68 Cb 0.23 -1.10 -0.03 0.00 0.35 0.00 0.00 39.48 38.93 1jba n PHE 68 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1jba n ASP 69 N -4.38 3.65 0.02 -2.13 2.03 -1.13 -4.79 116.55 109.83 1jba n ASP 69 Ca -0.33 0.59 -0.00 0.00 0.52 0.00 0.00 54.79 55.56 1jba n ASP 69 Cb 0.71 -1.52 -0.00 0.00 -0.72 0.00 0.00 41.12 39.59 1jba n ASP 69 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1jba n THR 70 N 6.53 0.65 -0.04 5.18 -2.24 -1.26 -4.68 114.28 118.42 1jba n THR 70 Ca 0.25 0.20 0.21 0.00 -2.27 0.00 0.00 64.05 62.44 1jba n THR 70 Cb 0.41 -1.56 0.38 0.00 -2.10 0.00 0.00 70.33 67.46 1jba n THR 70 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1jba h ASN 71 N -0.02 0.00 -3.69 3.42 7.08 -2.00 -3.44 115.58 116.93 1jba h ASN 71 Ca -0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 1jba h ASN 71 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.74 1jba h ASN 71 CO -0.00 0.00 -0.20 0.61 -2.08 0.00 0.00 177.43 175.75 1jba n GLY 72 N -1.63 -1.68 0.00 9.14 0.00 -1.26 -5.02 105.19 104.74 1jba n GLY 72 Ca 0.16 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.22 0.00 -1.87 1.61 5.68 -1.26 -4.99 116.55 115.50 1jba n ASP 73 Ca 0.02 -0.97 -0.14 0.00 -0.50 0.00 0.00 54.79 53.20 1jba n ASP 73 Cb 0.09 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.04 1jba n ASP 73 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1jba n ASN 74 N 0.00 -4.07 -3.67 -1.12 3.02 -1.26 -4.90 115.26 103.26 1jba n ASN 74 Ca 0.00 0.26 -0.11 0.00 -0.03 0.00 0.00 54.58 54.70 1jba n ASN 74 Cb 0.24 -3.60 -0.11 0.00 -0.61 0.00 0.00 39.78 35.69 1jba n ASN 74 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1jba s THR 75 N -2.45 -0.48 -0.51 3.41 -4.23 -1.26 -4.97 115.64 105.15 1jba s THR 75 Ca 0.00 0.21 -0.11 0.00 -1.18 0.00 0.00 61.69 60.61 1jba s THR 75 Cb 0.00 -0.55 0.13 0.00 1.34 0.00 0.00 72.50 73.42 1jba s THR 75 CO 0.00 0.09 0.41 -0.63 -0.54 0.00 0.00 174.62 173.95 1jba s ILE 76 N 2.39 4.54 0.81 2.99 1.01 -0.98 -4.97 121.20 126.99 1jba s ILE 76 Ca -0.01 -1.77 -0.11 0.00 0.00 0.00 0.00 60.65 58.76 1jba s ILE 76 Cb -0.12 -3.96 0.08 0.00 0.01 0.00 0.00 42.46 38.47 1jba s ILE 76 CO -0.11 -0.82 1.10 -0.62 0.00 0.00 0.00 174.94 174.49 1jba s ASP 77 N 2.86 4.16 0.37 3.58 -1.08 -1.26 -0.95 116.67 124.35 1jba s ASP 77 Ca 0.06 1.83 0.20 0.00 -0.52 0.00 0.00 52.55 54.12 1jba s ASP 77 Cb -0.26 -2.48 1.32 0.00 -1.46 0.00 0.00 42.92 40.03 1jba s ASP 77 CO -0.00 -2.26 1.59 0.15 0.52 0.00 0.00 175.17 175.17 1jba h PHE 78 N -1.28 0.84 0.45 -5.34 3.57 -1.92 -0.60 116.94 112.66 1jba h PHE 78 Ca -0.44 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.08 1jba h PHE 78 Cb 1.24 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1jba h PHE 78 CO 0.55 -0.44 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.90 1jba h LEU 79 N 0.04 -0.51 -0.91 0.59 -0.00 -1.90 0.97 115.31 113.60 1jba h LEU 79 Ca 0.84 0.02 0.25 0.00 -0.00 0.00 0.00 57.88 58.99 1jba h LEU 79 Cb 2.19 0.13 -0.15 0.00 -0.00 0.00 0.00 40.66 42.83 1jba h LEU 79 CO -0.75 -0.29 0.21 -0.33 -0.00 0.00 0.00 178.44 177.28 1jba h GLU 80 N -0.74 0.14 0.62 1.13 5.08 -1.45 1.22 114.58 120.59 1jba h GLU 80 Ca -0.06 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1jba h GLU 80 Cb 0.46 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.68 1jba h GLU 80 CO 0.10 0.09 -0.30 -0.92 -1.00 0.00 0.00 179.01 176.99 1jba h TYR 81 N 0.15 -0.77 -0.96 4.33 3.20 -1.11 -2.55 116.97 119.27 1jba h TYR 81 Ca 0.58 -0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.62 1jba h TYR 81 Cb 1.21 0.25 -0.09 0.00 1.54 0.00 0.00 36.73 39.65 1jba h TYR 81 CO -0.30 -0.48 0.61 0.28 -1.64 0.00 0.00 178.16 176.63 1jba h VAL 82 N -0.89 0.72 -0.72 1.81 2.07 0.57 0.24 116.25 120.05 1jba h VAL 82 Ca -0.08 -0.22 0.16 0.00 0.82 0.00 0.00 66.70 67.38 1jba h VAL 82 Cb 0.63 0.04 -0.11 0.00 -1.52 0.00 0.00 31.29 30.33 1jba h VAL 82 CO 0.14 0.12 0.13 0.00 0.02 0.00 0.00 177.57 177.97 1jba h ALA 83 N 1.62 0.88 -0.43 1.67 0.00 0.18 0.34 119.26 123.51 1jba h ALA 83 Ca 0.52 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.66 1jba h ALA 83 Cb 0.97 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1jba h ALA 83 CO -0.27 -0.36 0.17 0.00 0.00 0.00 0.00 179.25 178.79 1jba h ALA 84 N 1.62 0.52 -0.22 0.00 0.00 -0.13 -1.89 119.26 119.17 1jba h ALA 84 Ca 0.40 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.41 1jba h ALA 84 Cb 0.69 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1jba h ALA 84 CO -0.53 -0.21 -0.16 -0.07 0.00 0.00 0.00 179.25 178.28 1jba h LEU 85 N 0.35 -0.53 -1.00 0.00 3.38 -0.20 -0.08 115.31 117.24 1jba h LEU 85 Ca 0.20 0.11 0.30 0.00 0.09 0.00 0.00 57.88 58.57 1jba h LEU 85 Cb 0.16 0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.04 1jba h LEU 85 CO -0.18 -0.20 0.56 -1.13 0.09 0.00 0.00 178.44 177.57 1jba h ASN 86 N -0.16 0.54 0.30 -0.43 -0.73 -0.34 0.62 115.58 115.38 1jba h ASN 86 Ca 0.13 0.18 -0.01 0.00 1.87 0.00 0.00 56.30 58.46 1jba h ASN 86 Cb 0.35 0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.06 1jba h ASN 86 CO -0.32 -0.07 -0.14 0.25 -0.37 0.00 0.00 177.43 176.79 1jba h LEU 87 N 0.39 -0.34 0.00 0.34 5.85 -0.62 2.21 115.31 123.14 1jba h LEU 87 Ca 0.70 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.23 1jba h LEU 87 Cb 1.52 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.63 1jba h LEU 87 CO -0.57 0.04 0.00 1.33 -0.34 0.00 0.00 178.44 178.90 1jba n VAL 88 N -5.12 0.00 -0.23 1.05 0.24 -0.44 -3.87 118.33 109.96 1jba n VAL 88 Ca -0.09 0.44 0.30 0.00 -2.04 0.00 0.00 64.34 62.95 1jba n VAL 88 Cb 0.26 -1.31 0.54 0.00 -1.47 0.00 0.00 33.84 31.86 1jba n VAL 88 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1jba h LEU 89 N 0.00 0.00 0.00 1.34 4.07 -0.02 -3.42 115.31 117.29 1jba h LEU 89 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1jba h LEU 89 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1jba h LEU 89 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 177.90 1jba n ARG 90 N -3.43 0.00 0.00 1.13 1.74 -0.97 -4.98 116.66 110.15 1jba n ARG 90 Ca 0.24 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 1jba n ARG 90 Cb 1.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.89 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 0.00 0.28 0.00 -0.13 0.00 0.74 -4.50 105.19 101.59 1jba n GLY 91 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1jba n GLY 91 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1jba n THR 92 N 0.54 0.00 -2.84 2.61 5.66 -1.26 -5.03 114.28 113.96 1jba n THR 92 Ca 0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.80 1jba n THR 92 Cb 0.00 0.09 0.04 0.00 -1.55 0.00 0.00 70.33 68.91 1jba n THR 92 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1jba s LEU 93 N 0.00 3.34 0.00 1.09 1.02 -1.26 -4.99 118.68 117.88 1jba s LEU 93 Ca 0.00 -0.36 0.26 0.00 0.02 0.00 0.00 54.13 54.05 1jba s LEU 93 Cb 0.00 -2.44 1.14 0.00 0.02 0.00 0.00 46.19 44.90 1jba s LEU 93 CO 0.00 -1.14 1.83 -1.84 0.02 0.00 0.00 176.35 175.22 1jba n GLU 94 N -2.22 0.07 -0.24 1.70 -0.00 -1.26 -3.83 120.64 114.86 1jba n GLU 94 Ca 0.10 0.06 0.29 0.00 -0.00 0.00 0.00 57.16 57.61 1jba n GLU 94 Cb 0.60 -1.50 0.44 0.00 -0.00 0.00 0.00 31.44 30.98 1jba n GLU 94 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1jba n HIS 95 N -1.46 0.00 -0.23 -1.84 -0.00 -1.26 0.38 115.22 110.81 1jba n HIS 95 Ca 0.07 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.29 1jba n HIS 95 Cb 0.28 -0.27 0.15 0.00 -0.12 0.00 0.00 29.99 30.03 1jba n HIS 95 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 1jba h LYS 96 N 0.00 0.26 -0.65 1.57 3.64 -1.94 1.09 116.57 120.54 1jba h LYS 96 Ca 0.51 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.82 1jba h LYS 96 Cb 2.92 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 34.65 1jba h LYS 96 CO -0.01 0.17 0.21 -0.07 -2.27 0.00 0.00 179.45 177.48 1jba h LEU 97 N 0.27 0.91 -0.08 5.20 3.38 -0.42 -0.83 115.31 123.74 1jba h LEU 97 Ca 0.37 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1jba h LEU 97 Cb 0.59 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1jba h LEU 97 CO -0.46 0.85 -0.25 0.11 0.09 0.00 0.00 178.44 178.78 1jba h LYS 98 N 0.95 0.31 0.76 1.13 1.57 -0.79 -2.45 116.57 118.05 1jba h LYS 98 Ca 0.21 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1jba h LYS 98 Cb 0.26 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1jba h LYS 98 CO -0.01 0.85 -0.44 2.35 -0.57 0.00 0.00 179.45 181.63 1jba h TRP 99 N -0.18 -1.17 -1.01 -1.35 7.01 0.12 0.73 115.95 120.11 1jba h TRP 99 Ca -0.01 -0.01 0.22 0.00 2.11 0.00 0.00 58.89 61.20 1jba h TRP 99 Cb 0.88 0.41 -0.11 0.00 -2.10 0.00 0.00 29.16 28.24 1jba h TRP 99 CO 0.12 -0.67 0.61 0.00 -2.79 0.00 0.00 178.44 175.71 1jba h THR 100 N -1.12 0.61 0.00 2.65 1.03 -1.26 2.00 112.91 116.82 1jba h THR 100 Ca -0.10 -0.22 0.00 0.00 -0.01 0.00 0.00 66.41 66.08 1jba h THR 100 Cb 0.89 -0.09 0.00 0.00 -1.07 0.00 0.00 68.15 67.88 1jba h THR 100 CO 0.12 0.12 0.00 0.15 -0.01 0.00 0.00 175.52 175.89 1jba h PHE 101 N 0.65 0.00 0.07 0.00 3.04 -0.87 -2.54 116.94 117.29 1jba h PHE 101 Ca 0.61 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 62.31 1jba h PHE 101 Cb 1.10 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.61 1jba h PHE 101 CO -0.00 0.00 -1.10 -0.22 -2.02 0.00 0.00 178.31 174.97 1jba h LYS 102 N 0.00 0.28 -0.03 1.11 3.64 0.56 -2.95 116.57 119.17 1jba h LYS 102 Ca 0.00 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 58.97 1jba h LYS 102 Cb 0.42 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1jba h LYS 102 CO 0.00 1.14 -0.06 0.82 -2.27 0.00 0.00 179.45 179.08 1jba h ILE 103 N 0.11 1.45 -0.07 2.00 1.08 -0.98 -2.84 117.51 118.25 1jba h ILE 103 Ca -0.10 -1.42 0.02 0.00 -0.39 0.00 0.00 64.86 62.97 1jba h ILE 103 Cb 1.79 2.34 -0.00 0.00 -3.07 0.00 0.00 36.82 37.88 1jba h ILE 103 CO 0.18 0.38 0.16 1.88 -0.69 0.00 0.00 178.15 180.06 1jba h TYR 104 N -0.46 0.00 -1.91 1.37 0.05 -1.59 -3.36 116.97 111.07 1jba h TYR 104 Ca -0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 1jba h TYR 104 Cb 0.65 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.32 1jba h TYR 104 CO 0.13 0.00 1.19 0.34 -1.05 0.00 0.00 178.16 178.76 1jba s ASP 105 N -5.31 6.06 0.47 3.88 -1.08 -1.07 -4.64 116.67 114.96 1jba s ASP 105 Ca -0.04 -0.59 0.37 0.00 -0.52 0.00 0.00 52.55 51.76 1jba s ASP 105 Cb 0.13 -2.56 1.54 0.00 -1.46 0.00 0.00 42.92 40.57 1jba s ASP 105 CO 0.44 -1.89 1.54 1.17 0.52 0.00 0.00 175.17 176.95 1jba n LYS 106 N 9.21 -0.03 0.00 4.34 4.81 -1.26 -4.53 118.16 130.70 1jba n LYS 106 Ca 0.15 1.19 0.00 0.00 -0.87 0.00 0.00 58.31 58.77 1jba n LYS 106 Cb 0.50 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.10 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 -4.45 0.00 -0.85 3.14 5.68 -1.26 -4.99 116.55 113.82 1jba n ASP 107 Ca 0.41 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.66 1jba n ASP 107 Cb 1.68 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 41.62 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 0.00 0.00 0.00 0.11 1.74 -1.26 -4.92 116.66 112.33 1jba n ARG 108 Ca 0.00 -0.71 0.00 0.00 -0.77 0.00 0.00 57.85 56.37 1jba n ARG 108 Cb 0.00 0.30 0.00 0.00 -1.02 0.00 0.00 32.46 31.74 1jba n ARG 108 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1jba n ASN 109 N 0.02 0.57 -0.30 0.55 5.03 -1.26 -4.66 115.26 115.21 1jba n ASN 109 Ca -0.17 -0.84 -0.02 0.00 0.87 0.00 0.00 54.58 54.42 1jba n ASN 109 Cb 0.65 -0.21 -0.01 0.00 -1.02 0.00 0.00 39.78 39.19 1jba n ASN 109 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jba n GLY 110 N 0.38 0.21 3.28 7.41 0.00 -1.26 -4.80 105.19 110.40 1jba n GLY 110 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1jba n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba s ILE 112 N -1.97 3.47 0.08 0.00 1.01 -1.05 -4.84 121.20 117.91 1jba s ILE 112 Ca -0.09 -1.12 0.07 0.00 0.00 0.00 0.00 60.65 59.52 1jba s ILE 112 Cb -0.03 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1jba s ILE 112 CO 0.01 0.19 -0.19 -0.62 0.00 0.00 0.00 174.94 174.33 1jba s ASP 113 N -1.99 2.26 0.63 3.58 -1.08 -1.26 -2.67 116.67 116.13 1jba s ASP 113 Ca 0.21 -0.63 0.19 0.00 -0.52 0.00 0.00 52.55 51.79 1jba s ASP 113 Cb -0.11 -0.12 0.77 0.00 -1.46 0.00 0.00 42.92 42.00 1jba s ASP 113 CO 0.12 0.04 1.33 0.08 0.52 0.00 0.00 175.17 177.26 1jba h ARG 114 N 4.28 0.00 -0.17 4.34 -0.00 -1.94 1.09 114.38 121.97 1jba h ARG 114 Ca -0.44 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.39 1jba h ARG 114 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.15 1jba h ARG 114 CO 0.40 0.00 -0.47 0.37 -0.00 0.00 0.00 179.97 180.27 1jba h GLN 115 N 0.00 0.63 0.00 0.08 4.15 -1.99 -2.79 115.11 115.19 1jba h GLN 115 Ca 0.28 -0.44 -0.06 0.00 0.77 0.00 0.00 58.65 59.19 1jba h GLN 115 Cb 2.28 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 30.03 1jba h GLN 115 CO -0.00 1.06 -0.30 0.93 -1.93 0.00 0.00 178.83 178.58 1jba h GLU 116 N 0.30 0.00 0.11 1.69 5.08 0.92 -2.71 114.58 119.97 1jba h GLU 116 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1jba h GLU 116 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1jba h GLU 116 CO 0.10 0.30 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.29 1jba h LEU 117 N 0.00 -0.13 -1.19 1.33 -0.00 -1.29 -2.73 115.31 111.30 1jba h LEU 117 Ca -0.00 -0.16 0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1jba h LEU 117 Cb 0.55 0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 41.18 1jba h LEU 117 CO 0.04 0.09 0.57 0.25 -0.00 0.00 0.00 178.44 179.39 1jba h LEU 118 N -0.34 0.82 0.07 1.67 6.46 -1.30 -0.12 115.31 122.57 1jba h LEU 118 Ca -0.02 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1jba h LEU 118 Cb 0.28 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1jba h LEU 118 CO 0.03 0.50 -0.07 -0.78 -0.62 0.00 0.00 178.44 177.50 1jba h ASP 119 N 0.92 -0.19 0.24 1.25 1.82 -1.19 0.50 116.42 119.77 1jba h ASP 119 Ca 0.40 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.06 1jba h ASP 119 Cb 0.33 0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.39 1jba h ASP 119 CO -0.16 -0.09 -0.24 0.40 -1.61 0.00 0.00 179.24 177.54 1jba h ILE 120 N -0.14 0.49 -0.30 2.25 1.08 -1.38 -2.48 117.51 117.03 1jba h ILE 120 Ca -0.01 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.52 1jba h ILE 120 Cb 0.12 0.49 -0.08 0.00 -3.07 0.00 0.00 36.82 34.28 1jba h ILE 120 CO -0.01 0.00 -0.41 0.58 -0.69 0.00 0.00 178.15 177.62 1jba h VAL 121 N -0.51 0.15 -1.11 1.67 2.07 -1.00 0.40 116.25 117.91 1jba h VAL 121 Ca -0.00 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.83 1jba h VAL 121 Cb 0.47 0.15 -0.11 0.00 -1.52 0.00 0.00 31.29 30.28 1jba h VAL 121 CO -0.05 0.00 0.71 -0.08 0.02 0.00 0.00 177.57 178.16 1jba h GLU 122 N -0.37 0.30 -0.05 1.57 4.57 0.23 0.16 114.58 120.98 1jba h GLU 122 Ca 0.12 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 1jba h GLU 122 Cb 0.59 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1jba h GLU 122 CO -0.50 0.20 -0.19 0.77 -1.18 0.00 0.00 179.01 178.10 1jba h SER 123 N 0.31 0.26 -0.87 1.04 0.02 0.11 -2.85 113.55 111.57 1jba h SER 123 Ca 0.67 -0.64 0.23 0.00 -0.84 0.00 0.00 61.79 61.21 1jba h SER 123 Cb 1.80 -0.08 -0.15 0.00 0.14 0.00 0.00 62.40 64.12 1jba h SER 123 CO -0.36 0.85 0.12 0.40 -1.14 0.00 0.00 176.83 176.70 1jba h ILE 124 N -0.32 0.25 0.60 3.27 5.03 0.22 -1.50 117.51 125.05 1jba h ILE 124 Ca -0.01 -0.04 -0.03 0.00 -0.12 0.00 0.00 64.86 64.66 1jba h ILE 124 Cb 0.83 0.11 0.01 0.00 -3.03 0.00 0.00 36.82 34.74 1jba h ILE 124 CO 0.04 0.02 -0.29 1.88 -0.68 0.00 0.00 178.15 179.13 1jba h TYR 125 N 0.13 -0.74 -0.99 1.37 0.05 -1.45 -0.02 116.97 115.32 1jba h TYR 125 Ca 0.52 -0.02 0.32 0.00 0.05 0.00 0.00 58.73 59.61 1jba h TYR 125 Cb 1.03 0.25 -0.18 0.00 1.01 0.00 0.00 36.73 38.84 1jba h TYR 125 CO -0.36 -0.42 0.21 1.17 -1.05 0.00 0.00 178.16 177.71 1jba n LYS 126 N -5.33 -0.07 -0.01 4.88 4.81 -0.63 0.37 118.16 122.17 1jba n LYS 126 Ca -0.11 1.44 -0.01 0.00 -0.87 0.00 0.00 58.31 58.76 1jba n LYS 126 Cb 0.34 -2.38 -0.00 0.00 0.02 0.00 0.00 35.03 33.00 1jba n LYS 126 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1jba h LEU 127 N 0.00 -0.04 -1.62 3.14 5.85 -1.35 -3.30 115.31 117.98 1jba h LEU 127 Ca 0.69 0.00 0.29 0.00 0.84 0.00 0.00 57.88 59.70 1jba h LEU 127 Cb 1.59 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.59 1jba h LEU 127 CO -0.87 0.31 0.96 0.50 -0.34 0.00 0.00 178.44 179.01 1jba h LYS 128 N -0.74 0.00 0.00 1.25 3.64 -0.32 -2.21 116.57 118.18 1jba h LYS 128 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jba h LYS 128 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1jba h LYS 128 CO 0.01 0.00 0.00 1.17 -2.27 0.00 0.00 179.45 178.36 1jba n LYS 129 N -3.64 0.00 -2.93 1.90 0.00 0.16 -3.55 118.16 110.09 1jba n LYS 129 Ca 0.22 0.67 -0.37 0.00 0.00 0.00 0.00 58.31 58.84 1jba n LYS 129 Cb 1.28 -1.48 -0.01 0.00 0.00 0.00 0.00 35.03 34.82 1jba n LYS 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jba n ALA 130 N -2.32 5.22 -2.06 3.14 0.00 -0.84 -4.86 120.51 118.78 1jba n ALA 130 Ca 0.00 -4.72 0.00 0.00 0.00 0.00 0.00 53.44 48.72 1jba n ALA 130 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 -1.01 3.06 0.00 0.00 3.41 -1.26 -4.81 113.62 113.01 1jba n SER 132 Ca 0.00 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 1jba n SER 132 Cb 0.00 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 1jba n SER 132 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1jba n VAL 133 N 0.16 0.00 0.00 -3.33 0.24 -1.26 -5.16 118.33 108.98 1jba n VAL 133 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 1jba n VAL 133 Cb 0.73 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 1jba n VAL 133 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1jba n GLU 134 N 0.00 0.00 -3.25 7.34 0.00 -1.26 -5.10 120.64 118.37 1jba n GLU 134 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.12 1jba n GLU 134 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 1jba n GLU 134 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1jba s VAL 135 N 2.79 -0.81 0.29 3.84 1.01 -1.26 -4.77 120.40 121.49 1jba s VAL 135 Ca 0.00 -0.28 0.29 0.00 0.00 0.00 0.00 61.98 61.99 1jba s VAL 135 Cb 0.00 -0.27 0.30 0.00 0.00 0.00 0.00 36.38 36.41 1jba s VAL 135 CO 0.00 -0.17 2.00 1.05 0.00 0.00 0.00 175.10 177.98 1jba h GLU 136 N 7.10 0.00 -0.58 2.72 -0.00 -1.94 -3.14 114.58 118.74 1jba h GLU 136 Ca 0.04 0.00 0.11 0.00 -0.00 0.00 0.00 59.36 59.51 1jba h GLU 136 Cb 1.15 0.00 -0.11 0.00 -0.00 0.00 0.00 28.75 29.78 1jba h GLU 136 CO 0.13 0.13 -0.26 0.00 -0.00 0.00 0.00 179.01 179.01 1jba h ALA 137 N 1.87 0.13 -2.80 1.06 0.00 -1.97 -3.40 119.26 114.16 1jba h ALA 137 Ca -0.00 0.19 -0.52 0.00 0.00 0.00 0.00 54.91 54.58 1jba h ALA 137 Cb 0.48 0.64 0.07 0.00 0.00 0.00 0.00 17.79 18.98 1jba h ALA 137 CO 0.02 -0.58 0.55 -1.21 0.00 0.00 0.00 179.25 178.03 1jba s GLU 138 N -6.10 3.95 -0.32 0.00 0.41 -1.19 -4.13 118.70 111.33 1jba s GLU 138 Ca -0.14 1.97 -0.16 0.00 -0.41 0.00 0.00 54.97 56.23 1jba s GLU 138 Cb 0.17 -2.66 0.02 0.00 -1.78 0.00 0.00 34.13 29.88 1jba s GLU 138 CO 0.71 -0.44 0.36 1.04 -0.49 0.00 0.00 175.26 176.44 1jba n GLN 139 N -0.00 -2.06 0.00 1.61 6.02 -1.26 -4.93 117.38 116.76 1jba n GLN 139 Ca 0.05 1.79 0.00 0.00 -0.01 0.00 0.00 57.00 58.82 1jba n GLN 139 Cb 0.45 -3.59 0.00 0.00 1.02 0.00 0.00 30.24 28.13 1jba n GLN 139 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1jba n GLN 140 N 0.29 0.00 0.00 -1.09 -0.06 -1.26 -5.00 117.38 110.26 1jba n GLN 140 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 1jba n GLN 140 Cb 0.43 -0.03 0.00 0.00 -4.06 0.00 0.00 30.24 26.59 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1jba n GLY 141 N -0.46 -1.13 2.57 1.69 0.00 -1.26 -5.07 105.19 101.53 1jba n GLY 141 Ca 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 1jba n GLY 141 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jba n LYS 142 N 0.00 -4.76 -1.58 1.61 4.81 -1.26 -4.70 118.16 112.28 1jba n LYS 142 Ca 0.00 3.55 -0.53 0.00 -0.87 0.00 0.00 58.31 60.46 1jba n LYS 142 Cb 0.00 -5.06 -0.07 0.00 0.02 0.00 0.00 35.03 29.92 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 1.75 2.41 -4.93 3.14 4.77 -1.26 -4.93 117.00 117.94 1jba n LEU 143 Ca -0.38 0.78 -0.24 0.00 -0.03 0.00 0.00 56.01 56.14 1jba n LEU 143 Cb 0.58 -1.22 0.01 0.00 -2.33 0.00 0.00 43.42 40.46 1jba n LEU 143 CO 0.35 -0.50 0.12 -1.48 -1.33 0.00 0.00 177.39 174.55 1jba s LEU 144 N 5.25 2.89 0.27 2.23 0.05 -1.26 -5.12 118.68 122.99 1jba s LEU 144 Ca 1.03 -1.08 -0.03 0.00 0.05 0.00 0.00 54.13 54.10 1jba s LEU 144 Cb -0.94 -1.41 -0.05 0.00 -2.05 0.00 0.00 46.19 41.74 1jba s LEU 144 CO 0.57 -1.10 0.50 0.42 -0.55 0.00 0.00 176.35 176.18 1jba s THR 145 N -2.71 5.09 -0.43 5.48 -4.23 -1.26 -4.94 115.64 112.64 1jba s THR 145 Ca 0.43 -0.16 0.12 0.00 -1.18 0.00 0.00 61.69 60.90 1jba s THR 145 Cb -0.03 -3.75 0.12 0.00 1.34 0.00 0.00 72.50 70.17 1jba s THR 145 CO 0.26 -0.31 1.32 -0.81 -0.54 0.00 0.00 174.62 174.54 1jba n PRO 146 N -0.97 0.08 0.03 3.99 -0.04 -1.26 -0.77 135.00 136.06 1jba n PRO 146 Ca -0.03 0.55 -0.01 0.00 -0.04 0.00 0.00 63.50 63.96 1jba n PRO 146 Cb 0.54 -1.82 -0.08 0.00 -0.04 0.00 0.00 33.50 32.09 1jba n PRO 146 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1jba h GLU 147 N 0.00 0.00 0.00 0.54 4.11 -1.98 -3.30 114.58 113.95 1jba h GLU 147 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1jba h GLU 147 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1jba h GLU 147 CO 0.00 0.36 0.00 0.39 0.07 0.00 0.00 179.01 179.83 1jba n GLU 148 N -2.96 0.00 -0.26 1.06 -0.58 0.05 -2.00 120.64 115.95 1jba n GLU 148 Ca -0.10 0.49 0.01 0.00 -0.42 0.00 0.00 57.16 57.15 1jba n GLU 148 Cb 0.87 -1.40 0.09 0.00 -0.57 0.00 0.00 31.44 30.43 1jba n GLU 148 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1jba h VAL 149 N 0.00 0.25 -1.06 2.62 3.04 -1.77 1.07 116.25 120.40 1jba h VAL 149 Ca 0.00 0.00 0.29 0.00 -1.01 0.00 0.00 66.70 65.98 1jba h VAL 149 Cb 0.00 0.25 -0.11 0.00 -2.01 0.00 0.00 31.29 29.41 1jba h VAL 149 CO 0.00 0.00 0.66 0.58 -1.01 0.00 0.00 177.57 177.80 1jba h VAL 150 N -0.00 0.44 0.00 1.51 2.07 -1.63 1.80 116.25 120.44 1jba h VAL 150 Ca 0.36 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.75 1jba h VAL 150 Cb 0.55 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1jba h VAL 150 CO -0.77 0.07 0.00 0.44 0.02 0.00 0.00 177.57 177.33 1jba h ASP 151 N 0.39 0.00 0.01 0.57 3.32 0.18 -3.12 116.42 117.78 1jba h ASP 151 Ca 0.66 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.58 1jba h ASP 151 Cb 1.60 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.14 1jba h ASP 151 CO -0.40 0.00 -0.70 0.03 -1.72 0.00 0.00 179.24 176.45 1jba h ARG 152 N 0.00 0.03 -0.48 3.56 3.08 0.35 -2.34 114.38 118.58 1jba h ARG 152 Ca 0.00 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.09 1jba h ARG 152 Cb 0.73 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.72 1jba h ARG 152 CO 0.00 1.02 0.04 0.82 -1.07 0.00 0.00 179.97 180.78 1jba h ILE 153 N -0.92 0.67 0.14 2.04 2.04 -1.08 0.18 117.51 120.57 1jba h ILE 153 Ca -0.19 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1jba h ILE 153 Cb 1.22 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1jba h ILE 153 CO -0.08 0.03 -0.07 0.15 0.00 0.00 0.00 178.15 178.18 1jba h PHE 154 N 0.16 -0.18 0.12 1.37 3.04 -1.70 -2.64 116.94 117.12 1jba h PHE 154 Ca 0.24 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.18 1jba h PHE 154 Cb 0.35 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.92 1jba h PHE 154 CO -0.27 0.28 -0.10 1.25 -2.02 0.00 0.00 178.31 177.45 1jba h LEU 155 N -0.79 -0.26 -0.83 0.59 5.85 -1.21 2.22 115.31 120.88 1jba h LEU 155 Ca -0.02 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.87 1jba h LEU 155 Cb 0.54 0.08 -0.15 0.00 0.37 0.00 0.00 40.66 41.50 1jba h LEU 155 CO 0.03 -0.14 -0.29 0.25 -0.34 0.00 0.00 178.44 177.95 1jba h LEU 156 N -0.21 -1.05 -0.32 2.25 5.85 -0.80 0.67 115.31 121.69 1jba h LEU 156 Ca -0.02 0.26 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 1jba h LEU 156 Cb 0.18 0.60 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1jba h LEU 156 CO 0.00 -0.29 -0.23 0.58 -0.34 0.00 0.00 178.44 178.16 1jba h VAL 157 N -0.04 1.29 -2.82 1.05 2.07 -1.31 -3.32 116.25 113.16 1jba h VAL 157 Ca 0.35 -1.37 -0.79 0.00 0.82 0.00 0.00 66.70 65.70 1jba h VAL 157 Cb 0.60 1.48 -0.29 0.00 -1.52 0.00 0.00 31.29 31.56 1jba h VAL 157 CO -0.86 0.44 0.70 -0.67 0.02 0.00 0.00 177.57 177.20 1jba n ASP 158 N -4.29 6.30 0.03 0.57 2.03 0.75 -4.71 116.55 117.23 1jba n ASP 158 Ca -0.03 -3.44 0.13 0.00 0.52 0.00 0.00 54.79 51.97 1jba n ASP 158 Cb 0.44 -1.22 0.32 0.00 -0.72 0.00 0.00 41.12 39.94 1jba n ASP 158 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1jba n GLU 159 N 1.19 0.13 0.18 -0.67 2.13 -0.83 -3.79 120.64 118.99 1jba n GLU 159 Ca 0.27 0.06 0.09 0.00 0.66 0.00 0.00 57.16 58.24 1jba n GLU 159 Cb 0.33 -1.60 0.61 0.00 0.27 0.00 0.00 31.44 31.05 1jba n GLU 159 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 1jba h ASN 160 N 0.00 0.08 -2.31 4.31 -0.00 -1.87 -3.48 115.58 112.31 1jba h ASN 160 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1jba h ASN 160 Cb 0.61 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.91 1jba h ASN 160 CO 0.00 0.06 0.00 0.61 -0.00 0.00 0.00 177.43 178.10 1jba n GLY 161 N -1.54 -2.14 0.97 9.14 0.00 -1.25 -5.07 105.19 105.30 1jba n GLY 161 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.35 0.00 1.61 5.75 -1.26 -5.03 116.55 116.27 1jba n ASP 162 Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 1jba n ASP 162 Cb 0.00 1.51 0.00 0.00 -1.03 0.00 0.00 41.12 41.60 1jba n ASP 162 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jba n GLY 163 N -1.22 1.90 2.82 6.12 0.00 -1.26 -5.10 105.19 108.44 1jba n GLY 163 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1jba n GLY 163 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jba s GLN 164 N -0.32 0.30 -0.39 1.61 1.11 -1.26 -4.89 119.66 115.82 1jba s GLN 164 Ca 0.00 0.18 -0.23 0.00 0.01 0.00 0.00 55.36 55.33 1jba s GLN 164 Cb 0.00 -0.74 0.01 0.00 -1.01 0.00 0.00 33.01 31.28 1jba s GLN 164 CO 0.00 -0.80 0.75 -1.17 0.01 0.00 0.00 175.29 174.08 1jba s LEU 165 N 2.42 4.20 0.42 2.90 2.96 -1.09 -4.94 118.68 125.56 1jba s LEU 165 Ca 0.10 0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.21 1jba s LEU 165 Cb -0.15 -2.96 0.01 0.00 0.50 0.00 0.00 46.19 43.59 1jba s LEU 165 CO -0.21 -0.77 0.58 -0.94 -1.32 0.00 0.00 176.35 173.69 1jba s SER 166 N 1.93 5.71 0.05 3.68 1.04 -1.26 -2.53 113.70 122.32 1jba s SER 166 Ca 0.29 -0.21 -0.19 0.00 0.48 0.00 0.00 55.95 56.32 1jba s SER 166 Cb -0.13 -0.96 -0.09 0.00 0.10 0.00 0.00 66.02 64.94 1jba s SER 166 CO 0.18 -0.72 1.30 -0.07 0.98 0.00 0.00 173.24 174.92 1jba h LEU 167 N 0.60 -0.79 -0.98 2.42 -0.00 -1.96 0.07 115.31 114.66 1jba h LEU 167 Ca -0.43 0.07 0.16 0.00 -0.00 0.00 0.00 57.88 57.68 1jba h LEU 167 Cb 1.27 0.27 -0.16 0.00 -0.00 0.00 0.00 40.66 42.04 1jba h LEU 167 CO 0.50 -0.35 -0.36 0.78 -0.00 0.00 0.00 178.44 179.01 1jba h ASN 168 N -0.52 -1.32 0.50 -0.43 -0.26 -1.97 2.35 115.58 113.93 1jba h ASN 168 Ca -0.03 0.30 -0.02 0.00 -0.56 0.00 0.00 56.30 56.00 1jba h ASN 168 Cb 0.47 0.72 -0.00 0.00 -1.06 0.00 0.00 38.32 38.44 1jba h ASN 168 CO -0.06 -0.30 -0.29 -0.33 -1.06 0.00 0.00 177.43 175.40 1jba h GLU 169 N -0.01 -0.71 0.11 0.81 5.08 -1.90 -2.31 114.58 115.64 1jba h GLU 169 Ca 0.37 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1jba h GLU 169 Cb 0.62 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1jba h GLU 169 CO -0.98 -0.47 -0.05 0.35 -1.00 0.00 0.00 179.01 176.85 1jba h PHE 170 N -0.74 -0.13 -0.77 4.33 3.57 0.92 -2.74 116.94 121.37 1jba h PHE 170 Ca -0.06 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.54 1jba h PHE 170 Cb 0.59 0.04 -0.12 0.00 2.79 0.00 0.00 35.95 39.26 1jba h PHE 170 CO -0.08 0.13 -0.47 0.28 -2.23 0.00 0.00 178.31 175.94 1jba h VAL 171 N -0.39 0.04 -0.64 1.41 2.07 0.39 2.27 116.25 121.40 1jba h VAL 171 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1jba h VAL 171 Cb 0.32 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 1jba h VAL 171 CO 0.02 0.00 0.37 -0.33 0.02 0.00 0.00 177.57 177.65 1jba h GLU 172 N -0.13 0.68 -0.07 1.57 4.39 -1.42 0.66 114.58 120.26 1jba h GLU 172 Ca 0.21 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1jba h GLU 172 Cb 0.53 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1jba h GLU 172 CO -0.82 0.45 0.00 0.41 -1.16 0.00 0.00 179.01 177.89 1jba n GLY 173 N -1.28 -0.32 0.05 -3.84 0.00 0.43 -3.72 105.19 96.51 1jba n GLY 173 Ca 0.07 -0.30 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.20 1.76 0.02 4.61 0.00 0.74 -4.00 120.51 123.43 1jba n ALA 174 Ca 0.16 -0.63 -0.11 0.00 0.00 0.00 0.00 53.44 52.86 1jba n ALA 174 Cb 0.22 0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.68 1jba n ALA 174 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1jba h ARG 175 N 0.00 -0.40 0.00 0.00 2.43 0.15 -3.41 114.38 113.16 1jba h ARG 175 Ca -0.26 0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.78 1jba h ARG 175 Cb 1.59 0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 31.10 1jba h ARG 175 CO 0.01 -0.26 -0.12 -2.13 -1.51 0.00 0.00 179.97 175.96 1jba n ARG 176 N -5.41 0.46 0.00 0.20 0.63 -1.26 -5.05 116.66 106.23 1jba n ARG 176 Ca -0.04 -1.15 0.00 0.00 -0.92 0.00 0.00 57.85 55.74 1jba n ARG 176 Cb 0.32 -0.50 0.00 0.00 0.45 0.00 0.00 32.46 32.74 1jba n ARG 176 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1jba n ASP 177 N 0.54 0.00 0.00 6.15 2.03 -1.26 -4.94 116.55 119.07 1jba n ASP 177 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1jba n ASP 177 Cb 0.73 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.13 1jba n ASP 177 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1jba n LYS 178 N 0.00 0.00 0.02 -0.67 4.81 -1.26 -5.02 118.16 116.03 1jba n LYS 178 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1jba n LYS 178 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1jba n LYS 178 CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 1jba n TRP 179 N 0.00 -1.49 0.16 5.64 -0.00 -1.26 -4.93 117.44 115.57 1jba n TRP 179 Ca 0.00 0.13 0.13 0.00 -0.00 0.00 0.00 57.50 57.77 1jba n TRP 179 Cb 0.30 0.55 0.41 0.00 -0.00 0.00 0.00 31.31 32.57 1jba n TRP 179 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 177.69 177.30 1jba h VAL 180 N 0.00 0.05 0.00 5.87 -1.51 -1.96 -2.10 116.25 116.61 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 0.25 0.00 0.00 -2.13 0.00 0.00 31.29 29.41 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 -2.95 0.00 -0.21 5.19 0.00 -1.26 -2.58 117.12 115.31 1jba n MET 181 Ca 0.06 0.50 -0.04 0.00 -0.00 0.00 0.00 57.70 58.22 1jba n MET 181 Cb 0.93 -1.48 0.07 0.00 0.00 0.00 0.00 33.22 32.74 1jba n MET 181 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1jba h LYS 182 N 0.00 0.66 -0.65 2.12 1.57 -1.64 0.12 116.57 118.74 1jba h LYS 182 Ca 0.00 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1jba h LYS 182 Cb 0.00 -0.15 -0.08 0.00 0.08 0.00 0.00 32.23 32.08 1jba h LYS 182 CO 0.00 0.43 -0.38 -0.12 -0.57 0.00 0.00 179.45 178.81 1jba n MET 183 N -4.78 -0.29 0.12 3.15 1.56 -1.05 0.45 117.12 116.29 1jba n MET 183 Ca 0.06 1.29 -0.21 0.00 -0.27 0.00 0.00 57.70 58.57 1jba n MET 183 Cb 0.12 -1.91 -0.14 0.00 2.15 0.00 0.00 33.22 33.44 1jba n MET 183 CO 0.00 0.00 0.00 1.37 -0.73 0.00 0.00 175.97 176.61 1jba h LEU 184 N 0.00 0.71 -0.37 -0.89 8.10 -1.40 -3.15 115.31 118.30 1jba h LEU 184 Ca 0.10 -0.72 0.00 0.00 0.11 0.00 0.00 57.88 57.37 1jba h LEU 184 Cb 0.27 -0.23 0.00 0.00 -0.44 0.00 0.00 40.66 40.26 1jba h LEU 184 CO -0.61 1.56 0.00 1.67 -4.11 0.00 0.00 178.44 176.95 1jba n GLN 185 N -3.68 0.61 0.00 0.17 -0.06 0.41 -4.95 117.38 109.88 1jba n GLN 185 Ca -0.13 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.87 1jba n GLN 185 Cb 1.04 -1.11 0.00 0.00 -4.06 0.00 0.00 30.24 26.11 1jba n GLN 185 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 1jba n MET 186 N -0.24 0.00 0.02 3.69 2.81 0.17 -4.59 117.12 118.98 1jba n MET 186 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1jba n MET 186 Cb 0.06 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.57 1jba n MET 186 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1jba n ASP 187 N -2.42 0.28 -0.33 7.83 9.92 -1.26 -4.33 116.55 126.24 1jba n ASP 187 Ca 0.00 0.06 0.07 0.00 -0.53 0.00 0.00 54.79 54.38 1jba n ASP 187 Cb 0.00 -0.07 0.16 0.00 -0.64 0.00 0.00 41.12 40.57 1jba n ASP 187 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 1jba h LEU 188 N 0.00 -0.75 0.00 0.64 -0.00 -1.98 -3.46 115.31 109.76 1jba h LEU 188 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1jba h LEU 188 Cb 0.00 0.54 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1jba h LEU 188 CO 0.00 -0.31 0.00 0.59 -0.00 0.00 0.00 178.44 178.72 1jba n ASN 189 N -5.55 0.00 0.00 0.17 3.02 -1.26 -5.28 115.26 106.35 1jba n ASN 189 Ca 0.16 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.73 1jba n ASN 189 Cb 0.53 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.81 1jba n ASN 189 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99