#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 0.04 -1.36 1.61 6.02 -1.26 -5.01 117.38 117.43 1jba n GLN 3 Ca 0.00 0.10 0.17 0.00 -0.01 0.00 0.00 57.00 57.26 1jba n GLN 3 Cb 0.00 -1.55 -0.06 0.00 1.02 0.00 0.00 30.24 29.65 1jba n GLN 3 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1jba n GLN 4 N -1.63 -2.80 -3.79 -1.09 1.13 -1.26 -4.57 117.38 103.36 1jba n GLN 4 Ca 0.06 2.07 -0.13 0.00 -1.94 0.00 0.00 57.00 57.06 1jba n GLN 4 Cb 0.31 -3.41 -0.14 0.00 0.11 0.00 0.00 30.24 27.12 1jba n GLN 4 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1jba s PHE 5 N -3.15 -0.12 0.00 1.08 0.40 -1.26 -4.46 117.98 110.47 1jba s PHE 5 Ca 0.00 0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.69 1jba s PHE 5 Cb 0.00 -0.05 0.00 0.00 0.51 0.00 0.00 43.02 43.48 1jba s PHE 5 CO 0.00 -0.11 0.00 -1.13 0.70 0.00 0.00 175.22 174.68 1jba n SER 6 N 3.68 1.43 -4.98 1.36 3.41 -1.26 -4.74 113.62 112.53 1jba n SER 6 Ca -0.20 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.20 1jba n SER 6 Cb 0.55 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.51 1jba n SER 6 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1jba s TRP 7 N 0.74 3.06 -0.04 7.33 -0.11 -1.26 -4.67 118.94 123.99 1jba s TRP 7 Ca 0.00 -0.06 -0.16 0.00 1.22 0.00 0.00 56.10 57.10 1jba s TRP 7 Cb 0.00 -2.29 -0.32 0.00 -1.50 0.00 0.00 33.47 29.36 1jba s TRP 7 CO 0.00 -0.34 0.79 1.49 -4.62 0.00 0.00 176.95 174.27 1jba h GLU 8 N 0.55 0.38 -0.97 5.86 4.81 -1.98 -2.91 114.58 120.31 1jba h GLU 8 Ca -0.44 -0.65 0.29 0.00 -0.13 0.00 0.00 59.36 58.42 1jba h GLU 8 Cb 1.27 0.24 -0.14 0.00 0.63 0.00 0.00 28.75 30.75 1jba h GLU 8 CO 0.53 1.31 0.50 1.49 -0.73 0.00 0.00 179.01 182.11 1jba h GLU 9 N -0.09 0.34 -0.10 1.92 4.81 -1.96 0.55 114.58 120.05 1jba h GLU 9 Ca -0.26 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.87 1jba h GLU 9 Cb 1.94 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.24 1jba h GLU 9 CO 0.17 0.22 -0.24 0.00 -0.73 0.00 0.00 179.01 178.44 1jba h ALA 10 N 1.81 0.17 -0.69 2.92 0.00 -1.77 -1.62 119.26 120.08 1jba h ALA 10 Ca 0.67 -0.39 0.20 0.00 0.00 0.00 0.00 54.91 55.39 1jba h ALA 10 Cb 1.45 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1jba h ALA 10 CO -0.59 0.14 0.88 1.49 0.00 0.00 0.00 179.25 181.17 1jba h GLU 11 N -0.10 0.00 0.00 0.00 4.81 0.27 -3.22 114.58 116.34 1jba h GLU 11 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jba h GLU 11 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1jba h GLU 11 CO 0.05 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.72 1jba n GLU 12 N -3.34 0.00 -0.97 1.92 -0.58 -0.55 -5.00 120.64 112.12 1jba n GLU 12 Ca 0.15 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.56 1jba n GLU 12 Cb 1.11 0.00 0.13 0.00 -0.57 0.00 0.00 31.44 32.11 1jba n GLU 12 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1jba n ASN 13 N 0.00 0.33 0.00 1.62 3.02 -0.64 -4.93 115.26 114.66 1jba n ASN 13 Ca 0.00 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 1jba n ASN 13 Cb 0.00 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 37.73 1jba n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jba n GLY 14 N 0.67 0.73 1.98 7.41 0.00 -1.26 -4.42 105.19 110.29 1jba n GLY 14 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 1jba n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 15 N -0.06 4.41 0.08 4.61 0.00 -1.26 -4.32 120.51 123.97 1jba n ALA 15 Ca 0.00 -2.24 -0.11 0.00 0.00 0.00 0.00 53.44 51.09 1jba n ALA 15 Cb 0.00 -1.22 -0.12 0.00 0.00 0.00 0.00 19.45 18.11 1jba n ALA 15 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1jba h VAL 16 N 3.03 1.62 0.00 0.00 3.04 -1.99 -3.47 116.25 118.49 1jba h VAL 16 Ca 0.20 -3.24 0.00 0.00 -1.01 0.00 0.00 66.70 62.65 1jba h VAL 16 Cb 2.25 2.88 0.00 0.00 -2.01 0.00 0.00 31.29 34.41 1jba h VAL 16 CO 0.68 0.93 0.00 0.61 -1.01 0.00 0.00 177.57 178.78 1jba n GLY 17 N 1.41 1.79 0.03 3.17 0.00 -1.26 -5.06 105.19 105.26 1jba n GLY 17 Ca -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.00 0.00 0.41 4.61 0.00 -1.26 -4.95 120.51 116.32 1jba n ALA 18 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1jba n ALA 18 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1jba n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba n ALA 19 N -0.67 3.14 -0.57 0.00 0.00 -1.26 -3.68 120.51 117.47 1jba n ALA 19 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1jba n ALA 19 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.14 0.00 -0.29 0.00 2.03 -1.26 -2.19 116.55 112.70 1jba n ASP 20 Ca 0.01 0.39 0.09 0.00 0.52 0.00 0.00 54.79 55.80 1jba n ASP 20 Cb 0.48 -0.22 0.25 0.00 -0.72 0.00 0.00 41.12 40.91 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jba h ALA 21 N -2.00 1.30 0.22 -1.67 0.00 -1.91 0.18 119.26 115.37 1jba h ALA 21 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jba h ALA 21 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1jba h ALA 21 CO 0.00 -0.21 -0.52 0.00 0.00 0.00 0.00 179.25 178.51 1jba h ALA 22 N 1.62 -1.04 -0.87 0.00 0.00 -1.69 0.71 119.26 117.98 1jba h ALA 22 Ca 0.49 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.39 1jba h ALA 22 Cb 0.81 0.86 -0.07 0.00 0.00 0.00 0.00 17.79 19.39 1jba h ALA 22 CO -0.44 -1.14 0.56 1.96 0.00 0.00 0.00 179.25 180.19 1jba h GLN 23 N -0.82 0.72 0.16 0.00 4.20 -0.80 -1.97 115.11 116.61 1jba h GLN 23 Ca -0.02 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1jba h GLN 23 Cb 0.79 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1jba h GLN 23 CO -0.23 0.48 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.26 1jba h LEU 24 N 0.74 -0.18 -0.85 1.46 4.07 0.72 -2.93 115.31 118.34 1jba h LEU 24 Ca 0.42 -0.19 0.16 0.00 0.08 0.00 0.00 57.88 58.35 1jba h LEU 24 Cb 0.59 0.05 -0.16 0.00 1.08 0.00 0.00 40.66 42.22 1jba h LEU 24 CO -0.19 0.10 -0.25 -0.61 -1.08 0.00 0.00 178.44 176.40 1jba h GLN 25 N -0.47 -0.02 -0.59 1.13 4.15 0.11 0.33 115.11 119.76 1jba h GLN 25 Ca -0.02 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.46 1jba h GLN 25 Cb 0.36 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.00 1jba h GLN 25 CO 0.04 -0.01 0.28 1.49 -1.93 0.00 0.00 178.83 178.69 1jba h GLU 26 N -0.02 0.51 0.09 1.69 4.81 -1.43 -2.38 114.58 117.85 1jba h GLU 26 Ca 0.39 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1jba h GLU 26 Cb 0.62 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1jba h GLU 26 CO -0.88 0.34 -0.04 -1.49 -0.73 0.00 0.00 179.01 176.20 1jba h TRP 27 N 0.52 -0.11 -0.71 0.92 6.55 -0.19 -2.31 115.95 120.63 1jba h TRP 27 Ca 0.27 -0.00 0.20 0.00 0.95 0.00 0.00 58.89 60.32 1jba h TRP 27 Cb 0.23 0.04 -0.03 0.00 -0.86 0.00 0.00 29.16 28.54 1jba h TRP 27 CO -0.12 -0.07 1.09 -0.92 -1.05 0.00 0.00 178.44 177.38 1jba h TYR 28 N -0.12 0.00 0.13 0.49 3.20 -1.33 0.57 116.97 119.90 1jba h TYR 28 Ca -0.01 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1jba h TYR 28 Cb 0.09 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.36 1jba h TYR 28 CO 0.20 0.00 -0.06 -0.22 -1.64 0.00 0.00 178.16 176.44 1jba h LYS 29 N 0.00 -0.17 0.00 1.82 3.64 -0.88 -2.66 116.57 118.32 1jba h LYS 29 Ca 0.34 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1jba h LYS 29 Cb 2.51 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 34.37 1jba h LYS 29 CO -0.00 0.30 0.00 1.63 -2.27 0.00 0.00 179.45 179.10 1jba n LYS 30 N -4.91 0.00 -0.03 1.90 4.01 0.17 -2.92 118.16 116.39 1jba n LYS 30 Ca -0.08 0.03 -0.00 0.00 -0.51 0.00 0.00 58.31 57.74 1jba n LYS 30 Cb 0.27 -1.50 -0.00 0.00 -0.51 0.00 0.00 35.03 33.29 1jba n LYS 30 CO 0.00 0.00 0.00 0.35 -1.11 0.00 0.00 177.40 176.64 1jba h PHE 31 N 0.00 0.00 0.00 2.13 3.57 -0.90 -3.32 116.94 118.42 1jba h PHE 31 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1jba h PHE 31 Cb 0.47 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1jba h PHE 31 CO 0.00 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 177.36 1jba n LEU 32 N -3.58 0.00 -0.04 0.59 7.99 -1.01 -2.05 117.00 118.91 1jba n LEU 32 Ca -0.00 0.46 -0.03 0.00 -0.01 0.00 0.00 56.01 56.42 1jba n LEU 32 Cb 0.01 -0.46 0.20 0.00 -0.11 0.00 0.00 43.42 43.06 1jba n LEU 32 CO 0.01 -0.36 0.82 -0.08 -1.51 0.00 0.00 177.39 176.26 1jba h GLU 33 N 0.00 0.61 -0.13 3.23 4.57 -1.62 -1.47 114.58 119.77 1jba h GLU 33 Ca 0.00 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1jba h GLU 33 Cb 0.09 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1jba h GLU 33 CO 0.00 0.72 0.00 0.39 -1.18 0.00 0.00 179.01 178.94 1jba n GLU 34 N -4.18 1.80 0.00 1.92 4.71 -0.87 -4.75 120.64 119.27 1jba n GLU 34 Ca 0.01 -1.18 0.00 0.00 -0.01 0.00 0.00 57.16 55.98 1jba n GLU 34 Cb 0.34 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.34 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jba n PRO 36 N 0.00 0.21 0.00 0.00 -0.02 -0.64 -3.56 135.00 130.99 1jba n PRO 36 Ca 0.00 -1.15 0.00 0.00 -2.02 0.00 0.00 63.50 60.33 1jba n PRO 36 Cb 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 30.84 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 9.41 0.02 -0.91 2.55 7.64 -1.26 -5.09 113.62 125.98 1jba n SER 37 Ca 0.47 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1jba n SER 37 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 1.52 0.90 3.25 0.23 0.00 -1.23 -5.11 105.19 104.74 1jba n GLY 38 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.61 0.08 0.07 2.61 -4.23 -1.26 -4.56 115.64 105.74 1jba s THR 39 Ca 0.00 -0.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.88 1jba s THR 39 Cb 0.00 -0.89 -0.03 0.00 1.34 0.00 0.00 72.50 72.92 1jba s THR 39 CO 0.00 -0.36 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.42 1jba s LEU 40 N -1.95 2.34 0.09 4.79 2.96 -0.88 -4.89 118.68 121.14 1jba s LEU 40 Ca -0.06 -0.70 -0.07 0.00 -0.22 0.00 0.00 54.13 53.07 1jba s LEU 40 Cb -0.02 -0.18 -0.01 0.00 0.50 0.00 0.00 46.19 46.48 1jba s LEU 40 CO -0.02 -0.27 0.15 0.12 -1.32 0.00 0.00 176.35 175.01 1jba s PHE 41 N -2.08 0.26 0.57 5.38 5.36 -1.26 -2.04 117.98 124.17 1jba s PHE 41 Ca -0.02 -0.71 0.29 0.00 -0.96 0.00 0.00 56.93 55.54 1jba s PHE 41 Cb -0.05 -0.14 1.00 0.00 -0.34 0.00 0.00 43.02 43.49 1jba s PHE 41 CO -0.01 -0.52 1.28 -0.12 -1.46 0.00 0.00 175.22 174.39 1jba n MET 42 N -0.03 0.01 -0.06 10.12 0.00 -1.26 0.97 117.12 126.86 1jba n MET 42 Ca -0.14 0.99 -0.11 0.00 -0.00 0.00 0.00 57.70 58.44 1jba n MET 42 Cb 0.62 -2.43 -0.04 0.00 0.00 0.00 0.00 33.22 31.37 1jba n MET 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1jba h HIS 43 N 0.00 0.34 0.00 1.12 6.17 -1.99 0.49 115.15 121.28 1jba h HIS 43 Ca 0.54 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.58 1jba h HIS 43 Cb 2.95 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 32.78 1jba h HIS 43 CO 0.00 0.42 -0.10 0.93 0.71 0.00 0.00 177.93 179.89 1jba h GLU 44 N 0.17 0.00 0.00 5.26 3.07 0.21 -2.57 114.58 120.71 1jba h GLU 44 Ca 0.07 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1jba h GLU 44 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1jba h GLU 44 CO -0.00 0.00 -0.00 0.35 -1.40 0.00 0.00 179.01 177.96 1jba h PHE 45 N 0.00 -0.00 -0.54 4.33 3.04 -1.07 -2.60 116.94 120.10 1jba h PHE 45 Ca 0.00 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 1jba h PHE 45 Cb 0.83 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.32 1jba h PHE 45 CO 0.00 0.86 -0.03 -0.22 -2.02 0.00 0.00 178.31 176.89 1jba h LYS 46 N -0.99 0.96 0.46 1.11 3.64 -1.00 -2.56 116.57 118.18 1jba h LYS 46 Ca -0.00 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1jba h LYS 46 Cb 0.86 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1jba h LYS 46 CO 0.00 0.96 -0.22 -0.09 -2.27 0.00 0.00 179.45 177.83 1jba h ARG 47 N 0.87 -0.59 -0.16 1.90 2.43 -1.57 0.26 114.38 117.51 1jba h ARG 47 Ca 0.15 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1jba h ARG 47 Cb 0.56 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1jba h ARG 47 CO 0.03 -0.39 -0.13 0.74 -1.51 0.00 0.00 179.97 178.71 1jba h PHE 48 N -0.67 -0.40 0.00 2.20 -1.00 -1.51 1.87 116.94 117.43 1jba h PHE 48 Ca -0.06 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1jba h PHE 48 Cb 0.47 0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.23 1jba h PHE 48 CO 0.10 -0.09 0.00 1.19 -1.61 0.00 0.00 178.31 177.90 1jba n PHE 49 N -3.41 0.00 -3.70 -0.55 3.01 -0.97 -3.89 117.46 107.96 1jba n PHE 49 Ca -0.00 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.10 1jba n PHE 49 Cb 0.06 -0.40 -0.09 0.00 -0.01 0.00 0.00 39.48 39.05 1jba n PHE 49 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1jba s LYS 50 N -2.58 2.71 0.40 -1.08 1.02 0.91 -4.91 119.74 116.21 1jba s LYS 50 Ca 0.00 -2.69 0.22 0.00 0.02 0.00 0.00 55.97 53.52 1jba s LYS 50 Cb 0.00 -3.78 0.51 0.00 -0.52 0.00 0.00 37.83 34.04 1jba s LYS 50 CO 0.00 -1.20 1.65 -0.24 -0.92 0.00 0.00 175.35 174.65 1jba h VAL 51 N 5.02 0.41 -3.99 3.17 3.04 0.28 -3.34 116.25 120.85 1jba h VAL 51 Ca 0.02 -1.36 -0.51 0.00 -1.01 0.00 0.00 66.70 63.85 1jba h VAL 51 Cb 0.92 2.02 0.06 0.00 -2.01 0.00 0.00 31.29 32.29 1jba h VAL 51 CO 0.73 0.21 0.49 -2.84 -1.01 0.00 0.00 177.57 175.16 1jba s PRO 52 N -3.29 3.83 0.28 4.17 0.02 -1.26 -4.93 135.00 133.82 1jba s PRO 52 Ca 0.04 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 62.56 1jba s PRO 52 Cb 0.08 -2.48 -0.13 0.00 0.02 0.00 0.00 34.50 31.98 1jba s PRO 52 CO 0.67 -0.50 1.33 -0.40 -0.33 0.00 0.00 177.00 177.77 1jba n ASP 53 N -0.34 2.60 -3.68 2.53 5.68 -1.26 -4.96 116.55 117.13 1jba n ASP 53 Ca 0.06 1.17 -0.01 0.00 -0.50 0.00 0.00 54.79 55.52 1jba n ASP 53 Cb 0.48 -1.43 -0.01 0.00 -1.14 0.00 0.00 41.12 39.02 1jba n ASP 53 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1jba s ASN 54 N 0.01 -0.11 0.00 -1.12 6.03 -1.26 -5.07 114.94 113.42 1jba s ASN 54 Ca 0.63 -0.26 0.00 0.00 -1.03 0.00 0.00 52.86 52.21 1jba s ASN 54 Cb -0.63 0.31 0.00 0.00 -3.03 0.00 0.00 41.25 37.89 1jba s ASN 54 CO 0.55 -0.56 0.00 1.21 -2.03 0.00 0.00 177.10 176.26 1jba n GLU 55 N -0.49 0.00 0.07 3.55 2.13 -1.26 -4.87 120.64 119.77 1jba n GLU 55 Ca -0.07 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.68 1jba n GLU 55 Cb 0.62 -0.37 -0.09 0.00 0.27 0.00 0.00 31.44 31.86 1jba n GLU 55 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1jba h GLU 56 N 0.00 0.01 -0.87 5.31 4.39 -1.98 -3.16 114.58 118.28 1jba h GLU 56 Ca 0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1jba h GLU 56 Cb 0.00 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1jba h GLU 56 CO 0.00 0.97 0.02 0.00 -1.16 0.00 0.00 179.01 178.84 1jba n ALA 57 N -2.36 3.02 -0.05 3.43 0.00 -1.26 -3.67 120.51 119.62 1jba n ALA 57 Ca -0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 53.44 52.62 1jba n ALA 57 Cb 0.91 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 19.17 1jba n ALA 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jba n THR 58 N 0.19 1.61 0.39 0.00 -1.04 -1.19 -4.08 114.28 110.15 1jba n THR 58 Ca 0.10 -0.73 -0.19 0.00 -2.04 0.00 0.00 64.05 61.20 1jba n THR 58 Cb 0.60 -1.22 -0.09 0.00 -1.82 0.00 0.00 70.33 67.79 1jba n THR 58 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1jba h GLN 59 N 0.02 -1.05 -0.69 -2.82 4.20 -1.77 0.42 115.11 113.42 1jba h GLN 59 Ca -0.43 0.07 0.12 0.00 0.06 0.00 0.00 58.65 58.47 1jba h GLN 59 Cb 2.04 0.24 -0.13 0.00 0.30 0.00 0.00 27.48 29.94 1jba h GLN 59 CO 0.04 -0.70 -0.33 -0.92 -0.67 0.00 0.00 178.83 176.25 1jba h TYR 60 N -1.09 -0.91 -0.70 2.96 3.20 -1.79 0.30 116.97 118.94 1jba h TYR 60 Ca -0.09 0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1jba h TYR 60 Cb 0.88 0.50 -0.03 0.00 1.54 0.00 0.00 36.73 39.62 1jba h TYR 60 CO -0.11 -0.38 0.23 0.28 -1.64 0.00 0.00 178.16 176.53 1jba h VAL 61 N -0.11 1.25 -0.67 1.81 2.07 -1.66 -0.50 116.25 118.45 1jba h VAL 61 Ca 0.27 -0.86 0.20 0.00 0.82 0.00 0.00 66.70 67.13 1jba h VAL 61 Cb 0.56 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1jba h VAL 61 CO -0.76 0.34 0.79 -0.08 0.02 0.00 0.00 177.57 177.88 1jba h GLU 62 N 1.02 0.00 0.24 1.57 4.22 0.36 1.91 114.58 123.91 1jba h GLU 62 Ca 0.23 0.00 -0.32 0.00 0.08 0.00 0.00 59.36 59.35 1jba h GLU 62 Cb 0.28 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.57 1jba h GLU 62 CO -0.01 0.00 -1.40 0.00 -2.18 0.00 0.00 179.01 175.42 1jba h ALA 63 N 1.06 -0.15 -0.26 2.92 0.00 -0.33 -2.66 119.26 119.84 1jba h ALA 63 Ca 0.32 -0.84 0.07 0.00 0.00 0.00 0.00 54.91 54.46 1jba h ALA 63 Cb 1.89 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 1jba h ALA 63 CO -0.00 0.65 0.45 0.52 0.00 0.00 0.00 179.25 180.87 1jba h MET 64 N 0.08 0.00 0.00 0.00 2.86 0.33 -1.17 114.93 117.02 1jba h MET 64 Ca -0.25 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.24 1jba h MET 64 Cb 2.10 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.74 1jba h MET 64 CO 0.26 0.00 -1.04 0.34 1.06 0.00 0.00 176.91 177.53 1jba n PHE 65 N -3.32 0.95 0.20 -0.22 -0.00 -0.91 -4.03 117.46 110.13 1jba n PHE 65 Ca 0.04 0.41 -0.13 0.00 -0.00 0.00 0.00 57.45 57.77 1jba n PHE 65 Cb 0.58 -0.98 -0.07 0.00 -0.00 0.00 0.00 39.48 39.01 1jba n PHE 65 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1jba h ARG 66 N -1.00 -0.69 0.00 -4.13 2.47 -1.00 0.57 114.38 110.60 1jba h ARG 66 Ca -0.24 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 1jba h ARG 66 Cb 1.04 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1jba h ARG 66 CO -0.14 -0.46 0.19 0.00 0.56 0.00 0.00 179.97 180.12 1jba n ALA 67 N -2.68 0.69 -0.10 0.04 0.00 -0.51 -2.34 120.51 115.62 1jba n ALA 67 Ca -0.08 0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 1jba n ALA 67 Cb 0.33 -0.78 -0.08 0.00 0.00 0.00 0.00 19.45 18.93 1jba n ALA 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1jba n PHE 68 N -1.68 0.00 -4.12 0.00 3.72 -0.50 -4.87 117.46 110.01 1jba n PHE 68 Ca -0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1jba n PHE 68 Cb 0.21 -0.72 -0.07 0.00 -0.94 0.00 0.00 39.48 37.95 1jba n PHE 68 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1jba s ASP 69 N -6.46 0.24 0.00 4.37 -1.08 0.19 -5.06 116.67 108.87 1jba s ASP 69 Ca -0.27 -1.25 0.00 0.00 -0.52 0.00 0.00 52.55 50.51 1jba s ASP 69 Cb 0.09 0.50 0.00 0.00 -1.46 0.00 0.00 42.92 42.06 1jba s ASP 69 CO 0.38 -1.02 0.00 0.35 0.52 0.00 0.00 175.17 175.40 1jba n THR 70 N -0.37 0.00 -2.38 1.71 -2.24 -1.26 -4.07 114.28 105.67 1jba n THR 70 Ca 0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 1jba n THR 70 Cb 0.64 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 1jba n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1jba n ASN 71 N -1.24 -0.83 -3.73 3.42 6.94 -1.26 -1.00 115.26 117.56 1jba n ASN 71 Ca 0.00 -0.08 -0.24 0.00 -0.02 0.00 0.00 54.58 54.25 1jba n ASN 71 Cb 0.00 -0.78 0.00 0.00 -2.36 0.00 0.00 39.78 36.64 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 -0.51 -1.27 0.00 4.83 0.00 -1.26 -4.87 105.19 102.11 1jba n GLY 72 Ca 0.03 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1jba n GLY 72 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jba n ASP 73 N -2.50 2.69 0.00 1.61 2.03 -0.17 -4.97 116.55 115.24 1jba n ASP 73 Ca -0.27 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.04 1jba n ASP 73 Cb 0.66 0.54 0.00 0.00 -0.72 0.00 0.00 41.12 41.60 1jba n ASP 73 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1jba n ASN 74 N -0.81 0.00 -4.05 1.67 5.15 -1.26 -4.81 115.26 111.15 1jba n ASN 74 Ca 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.90 1jba n ASN 74 Cb 0.00 -1.87 -0.10 0.00 -0.53 0.00 0.00 39.78 37.28 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 -0.93 0.20 -0.06 -0.44 2.01 -1.26 -4.79 115.64 110.36 1jba s THR 75 Ca 0.00 -1.61 -0.01 0.00 0.31 0.00 0.00 61.69 60.38 1jba s THR 75 Cb 0.00 -1.32 0.03 0.00 0.01 0.00 0.00 72.50 71.21 1jba s THR 75 CO 0.00 -0.89 -0.01 -0.51 -0.69 0.00 0.00 174.62 172.52 1jba s ILE 76 N -3.56 0.36 0.80 1.82 2.07 -0.86 -4.95 121.20 116.88 1jba s ILE 76 Ca 0.03 0.08 -0.11 0.00 -1.41 0.00 0.00 60.65 59.25 1jba s ILE 76 Cb 0.05 -0.48 0.07 0.00 0.13 0.00 0.00 42.46 42.23 1jba s ILE 76 CO -0.09 0.23 1.10 -1.81 -1.91 0.00 0.00 174.94 172.46 1jba s ASP 77 N 1.62 4.23 0.12 4.50 1.01 -1.26 -2.08 116.67 124.81 1jba s ASP 77 Ca -0.01 1.81 -0.30 0.00 0.71 0.00 0.00 52.55 54.77 1jba s ASP 77 Cb -0.13 -2.48 -0.07 0.00 1.01 0.00 0.00 42.92 41.25 1jba s ASP 77 CO -0.03 -2.21 1.59 2.19 0.21 0.00 0.00 175.17 176.91 1jba h PHE 78 N -1.25 -1.18 -0.75 4.23 -5.15 -1.90 -2.74 116.94 108.19 1jba h PHE 78 Ca -0.44 0.04 0.08 0.00 -0.20 0.00 0.00 57.97 57.45 1jba h PHE 78 Cb 1.24 0.52 -0.11 0.00 0.22 0.00 0.00 35.95 37.83 1jba h PHE 78 CO 0.55 -0.49 -0.56 1.25 -2.00 0.00 0.00 178.31 177.06 1jba h LEU 79 N -0.55 -1.98 -0.85 2.10 5.85 -1.86 -1.32 115.31 116.69 1jba h LEU 79 Ca 0.05 0.29 0.08 0.00 0.84 0.00 0.00 57.88 59.14 1jba h LEU 79 Cb 0.64 0.86 -0.10 0.00 0.37 0.00 0.00 40.66 42.43 1jba h LEU 79 CO -0.34 -0.30 -0.50 -0.62 -0.34 0.00 0.00 178.44 176.34 1jba n GLU 80 N -5.32 -0.38 0.19 1.25 1.02 -1.04 -0.92 120.64 115.45 1jba n GLU 80 Ca 0.00 1.34 -0.17 0.00 -0.02 0.00 0.00 57.16 58.31 1jba n GLU 80 Cb 0.30 -1.97 -0.10 0.00 -0.02 0.00 0.00 31.44 29.65 1jba n GLU 80 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1jba h TYR 81 N 0.00 -1.45 -0.91 -0.32 3.20 -1.23 -2.15 116.97 114.10 1jba h TYR 81 Ca 0.14 0.03 0.23 0.00 3.14 0.00 0.00 58.73 62.26 1jba h TYR 81 Cb 0.35 0.60 -0.17 0.00 1.54 0.00 0.00 36.73 39.05 1jba h TYR 81 CO -0.93 -0.63 -0.03 0.28 -1.64 0.00 0.00 178.16 175.22 1jba h VAL 82 N -0.86 0.12 -0.69 1.81 2.07 -0.18 0.86 116.25 119.38 1jba h VAL 82 Ca -0.03 -0.01 0.15 0.00 0.82 0.00 0.00 66.70 67.63 1jba h VAL 82 Cb 0.81 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 30.54 1jba h VAL 82 CO -0.19 0.01 0.06 0.00 0.02 0.00 0.00 177.57 177.47 1jba h ALA 83 N 1.89 0.76 -0.46 1.67 0.00 -0.35 0.19 119.26 122.97 1jba h ALA 83 Ca 0.52 0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.72 1jba h ALA 83 Cb 0.97 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 1jba h ALA 83 CO -0.86 -0.39 -0.12 0.00 0.00 0.00 0.00 179.25 177.89 1jba h ALA 84 N 1.62 0.29 -0.24 0.00 0.00 0.89 -2.63 119.26 119.19 1jba h ALA 84 Ca 0.38 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1jba h ALA 84 Cb 0.64 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1jba h ALA 84 CO -0.56 -0.45 0.00 1.28 0.00 0.00 0.00 179.25 179.52 1jba n LEU 85 N -5.34 0.00 -0.33 0.00 4.77 0.65 -0.44 117.00 116.30 1jba n LEU 85 Ca 0.04 0.96 0.29 0.00 -0.03 0.00 0.00 56.01 57.27 1jba n LEU 85 Cb 0.25 -0.46 0.50 0.00 -2.33 0.00 0.00 43.42 41.38 1jba n LEU 85 CO 0.12 -0.46 0.90 -3.20 -1.33 0.00 0.00 177.39 173.42 1jba n ASN 86 N -2.53 0.18 0.04 -1.43 2.85 -1.03 0.12 115.26 113.47 1jba n ASN 86 Ca 0.00 1.09 -0.03 0.00 -0.11 0.00 0.00 54.58 55.53 1jba n ASN 86 Cb 0.00 -0.54 -0.01 0.00 1.24 0.00 0.00 39.78 40.47 1jba n ASN 86 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1jba h LEU 87 N 0.00 -0.16 0.41 1.20 7.12 -0.48 -3.27 115.31 120.12 1jba h LEU 87 Ca 0.66 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.66 1jba h LEU 87 Cb 2.05 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 42.23 1jba h LEU 87 CO -0.40 0.18 -0.20 0.58 -0.13 0.00 0.00 178.44 178.47 1jba h VAL 88 N -0.76 0.51 0.00 1.05 2.07 0.21 -3.35 116.25 115.98 1jba h VAL 88 Ca -0.02 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1jba h VAL 88 Cb 0.14 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1jba h VAL 88 CO 0.03 0.08 0.00 -0.11 0.02 0.00 0.00 177.57 177.59 1jba n LEU 89 N -5.20 0.00 -4.60 2.57 7.94 0.34 -3.91 117.00 114.13 1jba n LEU 89 Ca -0.10 0.74 -0.43 0.00 -1.11 0.00 0.00 56.01 55.11 1jba n LEU 89 Cb 0.29 -0.24 -0.02 0.00 0.53 0.00 0.00 43.42 43.98 1jba n LEU 89 CO 0.30 -0.24 1.13 -0.60 -1.11 0.00 0.00 177.39 176.87 1jba s ARG 90 N -1.95 3.66 0.00 1.96 3.52 -1.23 -4.94 118.95 119.97 1jba s ARG 90 Ca 0.00 0.76 0.00 0.00 -0.13 0.00 0.00 55.73 56.36 1jba s ARG 90 Cb 0.00 -3.96 0.00 0.00 -1.56 0.00 0.00 34.95 29.43 1jba s ARG 90 CO 0.00 -1.46 0.01 0.41 -0.81 0.00 0.00 175.30 173.45 1jba n GLY 91 N 4.93 1.47 5.57 8.12 0.00 -1.25 -4.71 105.19 119.32 1jba n GLY 91 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.14 0.00 -0.70 2.61 -1.04 -1.26 -4.64 114.28 109.12 1jba n THR 92 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1jba n THR 92 Cb 0.00 0.00 0.16 0.00 -1.82 0.00 0.00 70.33 68.67 1jba n THR 92 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1jba n LEU 93 N 0.00 -2.43 -0.07 -4.42 4.77 -1.26 -4.88 117.00 108.71 1jba n LEU 93 Ca 0.00 -0.12 0.12 0.00 -0.03 0.00 0.00 56.01 55.98 1jba n LEU 93 Cb 0.00 -0.90 0.29 0.00 -2.33 0.00 0.00 43.42 40.47 1jba n LEU 93 CO 0.00 -3.00 0.51 -0.62 -1.33 0.00 0.00 177.39 172.95 1jba n GLU 94 N -1.62 0.24 -0.20 3.23 4.71 -1.26 -4.21 120.64 121.53 1jba n GLU 94 Ca 0.00 -0.14 0.26 0.00 -0.01 0.00 0.00 57.16 57.27 1jba n GLU 94 Cb 0.64 -1.50 0.41 0.00 -1.01 0.00 0.00 31.44 29.98 1jba n GLU 94 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 1jba n HIS 95 N -1.25 0.00 -0.12 -0.32 1.44 -1.26 0.15 115.22 113.86 1jba n HIS 95 Ca 0.07 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.70 1jba n HIS 95 Cb 0.34 -0.24 -0.00 0.00 0.12 0.00 0.00 29.99 30.20 1jba n HIS 95 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1jba h LYS 96 N 0.00 0.53 -0.64 -1.40 1.79 -1.90 0.18 116.57 115.12 1jba h LYS 96 Ca 0.46 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.91 1jba h LYS 96 Cb 2.77 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 33.27 1jba h LYS 96 CO -0.00 0.39 0.42 1.25 -1.08 0.00 0.00 179.45 180.43 1jba h LEU 97 N 0.51 0.70 -0.04 2.94 6.46 0.11 -0.63 115.31 125.36 1jba h LEU 97 Ca 0.14 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 1jba h LEU 97 Cb -0.01 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 39.76 1jba h LEU 97 CO -0.03 0.49 -0.05 0.50 -0.62 0.00 0.00 178.44 178.73 1jba h LYS 98 N 0.82 0.10 -0.27 1.25 1.63 -1.30 -2.57 116.57 116.23 1jba h LYS 98 Ca 0.25 -0.06 0.07 0.00 -0.85 0.00 0.00 60.65 60.05 1jba h LYS 98 Cb -0.02 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1jba h LYS 98 CO -0.06 0.60 0.19 2.35 -3.45 0.00 0.00 179.45 179.08 1jba h TRP 99 N -0.39 0.07 -0.48 1.91 7.01 -0.23 0.91 115.95 124.76 1jba h TRP 99 Ca 0.00 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 60.91 1jba h TRP 99 Cb 0.59 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.61 1jba h TRP 99 CO 0.11 0.04 -0.08 1.15 -2.79 0.00 0.00 178.44 176.87 1jba h THR 100 N 0.07 1.27 0.00 2.65 2.02 -0.96 -2.32 112.91 115.64 1jba h THR 100 Ca 0.13 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.08 1jba h THR 100 Cb 0.42 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1jba h THR 100 CO -0.01 0.41 -0.17 0.15 0.37 0.00 0.00 175.52 176.27 1jba h PHE 101 N 0.74 0.00 0.27 3.16 3.04 -0.45 -2.88 116.94 120.82 1jba h PHE 101 Ca 0.13 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 1jba h PHE 101 Cb 0.62 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.13 1jba h PHE 101 CO 0.05 0.17 -0.13 0.87 -2.02 0.00 0.00 178.31 177.25 1jba h LYS 102 N 0.00 -0.35 -0.31 1.11 1.79 -0.73 -3.04 116.57 115.04 1jba h LYS 102 Ca -0.00 0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.56 1jba h LYS 102 Cb 0.32 0.08 -0.08 0.00 -1.58 0.00 0.00 32.23 30.97 1jba h LYS 102 CO 0.02 -0.07 -0.29 0.82 -1.08 0.00 0.00 179.45 178.85 1jba h ILE 103 N -0.61 0.30 0.00 1.86 2.04 -1.31 1.34 117.51 121.13 1jba h ILE 103 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1jba h ILE 103 Cb 0.44 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1jba h ILE 103 CO 0.06 0.00 0.76 1.88 0.00 0.00 0.00 178.15 180.86 1jba h TYR 104 N -0.26 0.00 -1.84 1.37 -1.99 -1.43 0.60 116.97 113.41 1jba h TYR 104 Ca 0.15 0.00 -0.69 0.00 2.00 0.00 0.00 58.73 60.19 1jba h TYR 104 Cb 0.51 0.00 -0.34 0.00 2.00 0.00 0.00 36.73 38.90 1jba h TYR 104 CO -0.46 0.00 0.24 -3.47 -0.00 0.00 0.00 178.16 174.46 1jba n ASP 105 N -2.45 6.20 -0.47 3.88 -0.08 0.46 -4.44 116.55 119.65 1jba n ASP 105 Ca -0.01 -3.77 0.39 0.00 -1.51 0.00 0.00 54.79 49.89 1jba n ASP 105 Cb 0.78 -0.80 0.67 0.00 2.34 0.00 0.00 41.12 44.11 1jba n ASP 105 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1jba h LYS 106 N 2.92 0.04 0.00 -0.67 1.63 0.15 2.25 116.57 122.89 1jba h LYS 106 Ca 0.43 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.23 1jba h LYS 106 Cb 0.43 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1jba h LYS 106 CO 1.14 0.03 0.00 -0.40 -3.45 0.00 0.00 179.45 176.77 1jba n ASP 107 N -4.69 0.00 -3.17 4.20 5.68 -1.26 -4.92 116.55 112.39 1jba n ASP 107 Ca 0.39 -0.52 -0.12 0.00 -0.50 0.00 0.00 54.79 54.03 1jba n ASP 107 Cb 1.52 -0.15 0.06 0.00 -1.14 0.00 0.00 41.12 41.41 1jba n ASP 107 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1jba n ARG 108 N -1.15 -2.06 -0.09 0.11 0.00 0.76 -4.96 116.66 109.28 1jba n ARG 108 Ca 0.18 0.94 -0.11 0.00 -0.00 0.00 0.00 57.85 58.86 1jba n ARG 108 Cb 0.17 -5.71 -0.10 0.00 0.00 0.00 0.00 32.46 26.82 1jba n ARG 108 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1jba n ASN 109 N -2.98 2.08 0.00 6.15 5.03 -1.26 -4.99 115.26 119.30 1jba n ASN 109 Ca -0.06 -0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.33 1jba n ASN 109 Cb 0.60 0.12 0.00 0.00 -1.02 0.00 0.00 39.78 39.48 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 2.40 0.72 2.89 7.41 0.00 -1.26 -5.05 105.19 112.30 1jba n GLY 110 Ca -0.30 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 1jba n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba s ILE 112 N -0.21 4.95 0.14 0.00 1.01 -0.23 -4.84 121.20 122.02 1jba s ILE 112 Ca -0.02 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.74 1jba s ILE 112 Cb -0.01 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1jba s ILE 112 CO -0.00 -0.68 -0.08 -0.62 0.00 0.00 0.00 174.94 173.56 1jba s ASP 113 N -3.86 1.59 0.21 3.58 -1.08 -1.26 -2.64 116.67 113.20 1jba s ASP 113 Ca 0.46 -1.03 -0.13 0.00 -0.52 0.00 0.00 52.55 51.33 1jba s ASP 113 Cb -0.10 0.03 0.25 0.00 -1.46 0.00 0.00 42.92 41.63 1jba s ASP 113 CO 0.39 -0.39 1.64 -0.09 0.52 0.00 0.00 175.17 177.25 1jba h ARG 114 N 2.81 0.04 -0.21 4.34 2.43 -1.99 -1.59 114.38 120.22 1jba h ARG 114 Ca -0.36 -0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.60 1jba h ARG 114 Cb 1.19 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1jba h ARG 114 CO 0.64 0.03 -0.67 -0.56 -1.51 0.00 0.00 179.97 177.90 1jba h GLN 115 N 0.04 0.79 -0.88 0.20 3.07 -1.98 -2.38 115.11 113.96 1jba h GLN 115 Ca 0.30 -0.57 0.17 0.00 0.09 0.00 0.00 58.65 58.64 1jba h GLN 115 Cb 0.47 0.10 -0.10 0.00 0.08 0.00 0.00 27.48 28.02 1jba h GLN 115 CO -0.58 1.19 0.44 0.93 0.09 0.00 0.00 178.83 180.90 1jba h GLU 116 N 0.57 0.56 0.15 0.06 5.08 -1.63 -1.10 114.58 118.26 1jba h GLU 116 Ca -0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1jba h GLU 116 Cb 1.28 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1jba h GLU 116 CO 0.14 0.37 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.38 1jba h LEU 117 N 0.57 -0.17 -0.74 1.33 3.38 -1.32 -2.77 115.31 115.59 1jba h LEU 117 Ca 0.51 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1jba h LEU 117 Cb 0.81 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1jba h LEU 117 CO -0.41 0.42 0.73 0.25 0.09 0.00 0.00 178.44 179.51 1jba h LEU 118 N -0.92 0.00 0.11 1.67 6.46 -1.01 1.50 115.31 123.12 1jba h LEU 118 Ca -0.02 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.58 1jba h LEU 118 Cb 0.50 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1jba h LEU 118 CO 0.03 0.00 -0.75 -0.78 -0.62 0.00 0.00 178.44 176.32 1jba h ASP 119 N 0.00 0.35 0.14 1.25 1.82 -1.01 -2.69 116.42 116.27 1jba h ASP 119 Ca 0.00 -0.93 -0.01 0.00 -0.39 0.00 0.00 57.03 55.70 1jba h ASP 119 Cb 1.46 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.36 1jba h ASP 119 CO 0.00 1.35 -0.07 0.40 -1.61 0.00 0.00 179.24 179.31 1jba h ILE 120 N -0.51 1.00 -0.54 2.25 1.08 0.23 -2.71 117.51 118.31 1jba h ILE 120 Ca -0.14 -1.07 0.10 0.00 -0.39 0.00 0.00 64.86 63.36 1jba h ILE 120 Cb 1.52 1.61 -0.08 0.00 -3.07 0.00 0.00 36.82 36.81 1jba h ILE 120 CO 0.10 0.23 0.07 -0.37 -0.69 0.00 0.00 178.15 177.49 1jba h VAL 121 N -0.74 0.64 -0.97 1.67 -1.51 -1.15 0.23 116.25 114.42 1jba h VAL 121 Ca -0.02 -0.07 0.15 0.00 -1.23 0.00 0.00 66.70 65.54 1jba h VAL 121 Cb 0.53 0.43 -0.09 0.00 -2.13 0.00 0.00 31.29 30.03 1jba h VAL 121 CO 0.03 0.04 0.61 -0.08 -1.23 0.00 0.00 177.57 176.94 1jba h GLU 122 N 0.20 0.79 -0.38 5.19 4.22 -1.49 0.17 114.58 123.28 1jba h GLU 122 Ca 0.28 -0.05 -0.13 0.00 0.08 0.00 0.00 59.36 59.54 1jba h GLU 122 Cb 0.40 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1jba h GLU 122 CO -0.39 0.52 -0.28 0.77 -2.18 0.00 0.00 179.01 177.45 1jba h SER 123 N 0.81 0.89 -0.16 1.04 0.02 -0.32 -2.22 113.55 113.61 1jba h SER 123 Ca 0.51 -0.44 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1jba h SER 123 Cb 0.71 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1jba h SER 123 CO -0.28 1.14 -0.03 0.40 -1.14 0.00 0.00 176.83 176.93 1jba h ILE 124 N 0.65 0.85 -0.44 3.27 5.03 0.98 -1.83 117.51 126.03 1jba h ILE 124 Ca 0.07 -0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.81 1jba h ILE 124 Cb 0.85 0.84 -0.02 0.00 -3.03 0.00 0.00 36.82 35.46 1jba h ILE 124 CO 0.07 0.00 0.27 1.88 -0.68 0.00 0.00 178.15 179.70 1jba h TYR 125 N 0.01 0.57 -0.18 1.37 0.05 -1.21 -1.58 116.97 116.00 1jba h TYR 125 Ca 0.07 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.91 1jba h TYR 125 Cb 0.11 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 1jba h TYR 125 CO -0.18 0.39 0.17 -0.22 -1.05 0.00 0.00 178.16 177.27 1jba h LYS 126 N 0.58 0.00 0.03 4.88 1.63 -0.97 0.38 116.57 123.10 1jba h LYS 126 Ca 0.16 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1jba h LYS 126 Cb -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1jba h LYS 126 CO -0.03 0.00 -0.01 1.25 -3.45 0.00 0.00 179.45 177.20 1jba h LEU 127 N 0.00 -0.03 -0.68 5.20 6.46 -0.46 -3.28 115.31 122.52 1jba h LEU 127 Ca 0.08 -0.59 -0.14 0.00 -0.12 0.00 0.00 57.88 57.11 1jba h LEU 127 Cb 0.43 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1jba h LEU 127 CO -0.00 0.60 -0.66 0.11 -0.62 0.00 0.00 178.44 177.87 1jba h LYS 128 N -0.69 0.01 -1.07 1.25 1.79 -1.13 -1.97 116.57 114.76 1jba h LYS 128 Ca -0.00 -0.01 0.31 0.00 -2.18 0.00 0.00 60.65 58.77 1jba h LYS 128 Cb 0.63 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.15 1jba h LYS 128 CO 0.01 0.66 0.65 -0.22 -1.08 0.00 0.00 179.45 179.48 1jba h LYS 129 N 0.01 0.34 0.00 3.15 3.64 -0.32 -2.73 116.57 120.65 1jba h LYS 129 Ca -0.01 -0.02 -0.40 0.00 -1.27 0.00 0.00 60.65 58.95 1jba h LYS 129 Cb 1.16 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.85 1jba h LYS 129 CO 0.09 0.22 -2.21 0.00 -2.27 0.00 0.00 179.45 175.28 1jba n ALA 130 N -2.39 1.09 -0.04 5.00 0.00 -1.18 -4.47 120.51 118.52 1jba n ALA 130 Ca 0.30 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1jba n ALA 130 Cb 0.99 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.40 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 -1.13 -0.95 0.00 0.00 7.64 -1.26 -5.06 113.62 112.87 1jba n SER 132 Ca 0.00 -2.08 0.00 0.00 1.01 0.00 0.00 58.87 57.80 1jba n SER 132 Cb 0.00 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1jba n SER 132 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1jba n VAL 133 N -0.54 0.00 0.00 0.44 0.24 -1.26 -5.14 118.33 112.06 1jba n VAL 133 Ca -0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1jba n VAL 133 Cb 0.79 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 1jba n VAL 133 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jba n GLU 134 N 0.00 0.00 -3.15 7.34 1.02 -1.26 -5.12 120.64 119.47 1jba n GLU 134 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 1jba n GLU 134 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 1jba n GLU 134 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jba s VAL 135 N 2.46 -0.67 -0.93 2.62 0.11 -1.26 -4.95 120.40 117.78 1jba s VAL 135 Ca 0.00 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.82 1jba s VAL 135 Cb 0.00 -0.82 0.06 0.00 -1.53 0.00 0.00 36.38 34.09 1jba s VAL 135 CO 0.00 0.00 1.36 -1.61 -3.33 0.00 0.00 175.10 171.52 1jba s GLU 136 N 2.90 3.48 0.00 1.54 2.02 -1.26 -3.34 118.70 124.04 1jba s GLU 136 Ca 0.14 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.14 1jba s GLU 136 Cb -0.09 -5.01 0.00 0.00 0.10 0.00 0.00 34.13 29.13 1jba s GLU 136 CO -0.21 -2.13 0.00 0.00 0.02 0.00 0.00 175.26 172.94 1jba n ALA 137 N 8.68 0.00 -0.24 5.21 0.00 -1.26 -4.61 120.51 128.29 1jba n ALA 137 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1jba n ALA 137 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1jba n ALA 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jba n GLU 138 N 0.00 0.00 0.18 0.00 -0.58 -1.21 0.72 120.64 119.75 1jba n GLU 138 Ca 0.00 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.79 1jba n GLU 138 Cb 0.00 0.00 0.26 0.00 -0.57 0.00 0.00 31.44 31.13 1jba n GLU 138 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 1jba h GLN 139 N 0.00 0.00 -6.49 3.49 -0.00 -2.01 -3.44 115.11 106.66 1jba h GLN 139 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.37 1jba h GLN 139 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 27.49 1jba h GLN 139 CO 0.00 0.00 -1.15 0.94 -0.00 0.00 0.00 178.83 178.62 1jba n GLN 140 N -2.02 -1.51 0.00 0.06 7.27 0.22 -4.92 117.38 116.49 1jba n GLN 140 Ca -0.01 1.27 0.00 0.00 0.07 0.00 0.00 57.00 58.33 1jba n GLN 140 Cb 0.48 -1.82 0.00 0.00 2.41 0.00 0.00 30.24 31.31 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1jba n GLY 141 N 0.21 -0.00 0.00 1.69 0.00 -1.26 -5.07 105.19 100.76 1jba n GLY 141 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1jba n GLY 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jba n LYS 142 N -2.68 0.00 0.00 1.61 4.76 -1.26 -5.01 118.16 115.59 1jba n LYS 142 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1jba n LYS 142 Cb 0.16 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.35 1jba n LYS 142 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1jba n LEU 143 N 0.00 0.00 -4.97 -0.35 4.77 -1.26 -4.62 117.00 110.56 1jba n LEU 143 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1jba n LEU 143 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1jba n LEU 143 CO 0.00 0.00 0.24 -1.48 -1.33 0.00 0.00 177.39 174.82 1jba s LEU 144 N 0.00 3.61 0.16 2.23 0.05 -1.26 -5.11 118.68 118.36 1jba s LEU 144 Ca 0.00 -0.00 0.08 0.00 0.05 0.00 0.00 54.13 54.26 1jba s LEU 144 Cb 0.00 -2.92 -0.04 0.00 -2.05 0.00 0.00 46.19 41.18 1jba s LEU 144 CO 0.00 -0.78 -0.09 0.42 -0.55 0.00 0.00 176.35 175.35 1jba s THR 145 N -2.50 3.26 0.65 5.48 -4.23 -1.26 -4.96 115.64 112.08 1jba s THR 145 Ca 0.51 -1.55 0.23 0.00 -1.18 0.00 0.00 61.69 59.71 1jba s THR 145 Cb -0.10 -2.59 0.26 0.00 1.34 0.00 0.00 72.50 71.40 1jba s THR 145 CO 0.36 -0.05 1.68 -0.65 -0.54 0.00 0.00 174.62 175.42 1jba h PRO 146 N 3.07 0.00 0.00 3.99 0.11 -1.99 1.94 132.00 139.12 1jba h PRO 146 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jba h PRO 146 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1jba h PRO 146 CO 0.54 0.00 -0.62 0.39 -0.21 0.00 0.00 178.00 178.10 1jba n GLU 147 N -2.98 0.06 0.00 1.05 1.02 -1.26 -4.17 120.64 114.35 1jba n GLU 147 Ca 0.02 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1jba n GLU 147 Cb 0.64 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 1jba n GLU 147 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1jba n GLU 148 N -1.60 0.00 -0.44 3.49 0.00 0.66 -2.50 120.64 120.24 1jba n GLU 148 Ca 0.05 0.46 0.36 0.00 0.00 0.00 0.00 57.16 58.04 1jba n GLU 148 Cb 0.35 -1.16 0.65 0.00 0.00 0.00 0.00 31.44 31.29 1jba n GLU 148 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 1jba h VAL 149 N 0.00 0.16 0.24 6.31 -1.51 -1.78 0.42 116.25 120.10 1jba h VAL 149 Ca 0.00 -0.04 -0.01 0.00 -1.23 0.00 0.00 66.70 65.42 1jba h VAL 149 Cb 0.00 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.21 1jba h VAL 149 CO 0.00 0.02 -0.12 0.58 -1.23 0.00 0.00 177.57 176.82 1jba h VAL 150 N 0.11 0.79 0.00 7.19 2.07 -1.72 -1.24 116.25 123.44 1jba h VAL 150 Ca 0.80 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 68.16 1jba h VAL 150 Cb 2.54 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1jba h VAL 150 CO -0.37 0.04 0.00 -0.67 0.02 0.00 0.00 177.57 176.59 1jba n ASP 151 N -5.20 0.00 -0.01 0.57 -0.08 0.13 -1.76 116.55 110.21 1jba n ASP 151 Ca -0.09 0.48 -0.20 0.00 -1.51 0.00 0.00 54.79 53.46 1jba n ASP 151 Cb 0.18 -0.49 -0.14 0.00 2.34 0.00 0.00 41.12 43.01 1jba n ASP 151 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1jba h ARG 152 N 0.00 0.19 -0.10 -0.67 9.65 -0.28 -2.63 114.38 120.54 1jba h ARG 152 Ca 0.00 -0.32 -0.20 0.00 -1.10 0.00 0.00 59.98 58.36 1jba h ARG 152 Cb 0.26 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1jba h ARG 152 CO 0.00 1.15 -0.75 0.82 2.80 0.00 0.00 179.97 183.99 1jba h ILE 153 N -0.49 1.34 0.38 1.20 2.04 -1.13 -2.30 117.51 118.55 1jba h ILE 153 Ca -0.25 -2.08 -0.02 0.00 1.00 0.00 0.00 64.86 63.51 1jba h ILE 153 Cb 1.59 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1jba h ILE 153 CO 0.03 0.64 -0.18 0.15 0.00 0.00 0.00 178.15 178.78 1jba h PHE 154 N 0.37 -0.48 -0.60 1.37 3.57 -1.49 -2.84 116.94 116.85 1jba h PHE 154 Ca -0.04 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.54 1jba h PHE 154 Cb 1.35 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 40.21 1jba h PHE 154 CO 0.06 -0.17 0.40 1.25 -2.23 0.00 0.00 178.31 177.62 1jba h LEU 155 N -1.01 0.41 0.79 0.59 5.85 -1.58 2.18 115.31 122.55 1jba h LEU 155 Ca -0.05 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1jba h LEU 155 Cb 0.52 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1jba h LEU 155 CO 0.09 0.25 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.95 1jba h LEU 156 N 0.46 -1.02 0.09 2.25 3.38 -1.40 -3.24 115.31 115.83 1jba h LEU 156 Ca 0.27 0.04 -0.23 0.00 0.09 0.00 0.00 57.88 58.05 1jba h LEU 156 Cb 0.46 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1jba h LEU 156 CO -0.08 -0.68 -1.19 -0.37 0.09 0.00 0.00 178.44 176.21 1jba h VAL 157 N -1.11 1.13 0.00 1.22 -1.51 -1.24 -3.35 116.25 111.39 1jba h VAL 157 Ca -0.11 -2.37 -0.06 0.00 -1.23 0.00 0.00 66.70 62.93 1jba h VAL 157 Cb 0.87 2.75 -0.02 0.00 -2.13 0.00 0.00 31.29 32.75 1jba h VAL 157 CO 0.15 0.63 -0.01 -0.67 -1.23 0.00 0.00 177.57 176.44 1jba n ASP 158 N -4.09 3.12 0.24 4.19 -0.08 0.74 -4.31 116.55 116.35 1jba n ASP 158 Ca -0.24 -1.97 0.07 0.00 -1.51 0.00 0.00 54.79 51.15 1jba n ASP 158 Cb 0.82 -0.76 0.57 0.00 2.34 0.00 0.00 41.12 44.08 1jba n ASP 158 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1jba h GLU 159 N 3.37 0.00 -0.97 -0.67 4.22 -1.70 -2.47 114.58 116.35 1jba h GLU 159 Ca 0.06 0.00 0.14 0.00 0.08 0.00 0.00 59.36 59.64 1jba h GLU 159 Cb 0.77 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.93 1jba h GLU 159 CO 0.19 0.16 0.61 -0.91 -2.18 0.00 0.00 179.01 176.89 1jba h ASN 160 N 0.00 0.82 -3.18 1.04 4.21 -1.91 -3.46 115.58 113.10 1jba h ASN 160 Ca -0.00 0.05 -0.18 0.00 1.21 0.00 0.00 56.30 57.39 1jba h ASN 160 Cb 0.31 -0.11 0.06 0.00 -1.12 0.00 0.00 38.32 37.47 1jba h ASN 160 CO 0.02 0.40 -0.30 0.61 -1.29 0.00 0.00 177.43 176.87 1jba n GLY 161 N -1.37 0.28 0.08 2.83 0.00 -0.93 -4.94 105.19 101.14 1jba n GLY 161 Ca 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.61 0.57 0.00 1.61 5.75 -1.26 -4.97 116.55 117.64 1jba n ASP 162 Ca -0.00 0.25 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 1jba n ASP 162 Cb 0.53 0.55 0.00 0.00 -1.03 0.00 0.00 41.12 41.17 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 1.47 1.24 2.95 6.12 0.00 -1.26 -5.09 105.19 110.62 1jba n GLY 163 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.31 0.20 -0.59 1.61 -0.21 -1.26 -4.96 119.66 114.14 1jba s GLN 164 Ca 0.00 0.61 -0.20 0.00 0.02 0.00 0.00 55.36 55.79 1jba s GLN 164 Cb 0.00 -0.36 0.09 0.00 1.00 0.00 0.00 33.01 33.74 1jba s GLN 164 CO 0.00 -0.43 0.75 -1.17 -2.12 0.00 0.00 175.29 172.32 1jba s LEU 165 N 2.43 5.12 0.71 2.90 2.96 -1.08 -4.98 118.68 126.74 1jba s LEU 165 Ca 0.04 -1.26 -0.01 0.00 -0.22 0.00 0.00 54.13 52.68 1jba s LEU 165 Cb -0.13 -2.35 0.12 0.00 0.50 0.00 0.00 46.19 44.32 1jba s LEU 165 CO -0.11 -1.15 0.99 -0.44 -1.32 0.00 0.00 176.35 174.31 1jba s SER 166 N 3.51 4.41 0.09 3.68 0.01 -1.26 -1.06 113.70 123.08 1jba s SER 166 Ca 0.14 -0.27 -0.16 0.00 1.31 0.00 0.00 55.95 56.98 1jba s SER 166 Cb -0.22 -0.16 -0.08 0.00 0.21 0.00 0.00 66.02 65.77 1jba s SER 166 CO 0.08 -1.81 1.43 0.25 0.41 0.00 0.00 173.24 173.60 1jba h LEU 167 N -0.51 0.69 -0.89 2.44 5.85 -1.96 -2.16 115.31 118.76 1jba h LEU 167 Ca -0.38 -0.45 0.24 0.00 0.84 0.00 0.00 57.88 58.14 1jba h LEU 167 Cb 1.27 -0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.96 1jba h LEU 167 CO 0.42 0.99 0.16 -1.13 -0.34 0.00 0.00 178.44 178.54 1jba h ASN 168 N 0.39 -0.17 0.24 1.25 -0.73 -1.97 0.49 115.58 115.07 1jba h ASN 168 Ca 0.05 0.22 -0.24 0.00 1.87 0.00 0.00 56.30 58.20 1jba h ASN 168 Cb 0.77 0.34 0.01 0.00 0.27 0.00 0.00 38.32 39.70 1jba h ASN 168 CO 0.06 -0.22 -0.98 -0.33 -0.37 0.00 0.00 177.43 175.59 1jba h GLU 169 N 0.13 0.50 0.27 6.67 5.08 -1.91 -2.72 114.58 122.60 1jba h GLU 169 Ca 0.55 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1jba h GLU 169 Cb 1.12 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1jba h GLU 169 CO -0.73 1.18 -0.30 0.35 -1.00 0.00 0.00 179.01 178.51 1jba h PHE 170 N 0.28 -0.84 -0.95 4.33 3.04 0.56 -2.16 116.94 121.20 1jba h PHE 170 Ca -0.10 0.01 0.10 0.00 3.98 0.00 0.00 57.97 61.96 1jba h PHE 170 Cb 1.62 0.33 -0.08 0.00 2.56 0.00 0.00 35.95 40.39 1jba h PHE 170 CO 0.07 -0.39 0.59 -0.39 -2.02 0.00 0.00 178.31 176.17 1jba h VAL 171 N -0.58 0.97 -1.00 1.41 -1.51 -1.15 1.31 116.25 115.71 1jba h VAL 171 Ca -0.03 -0.34 0.28 0.00 -1.23 0.00 0.00 66.70 65.37 1jba h VAL 171 Cb 0.51 -0.11 -0.05 0.00 -2.13 0.00 0.00 31.29 29.51 1jba h VAL 171 CO -0.05 0.18 0.70 -0.08 -1.23 0.00 0.00 177.57 177.09 1jba h GLU 172 N 0.99 0.11 0.00 5.19 4.81 -1.10 1.12 114.58 125.69 1jba h GLU 172 Ca 0.45 -0.01 -0.31 0.00 -0.13 0.00 0.00 59.36 59.36 1jba h GLU 172 Cb 0.35 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 1jba h GLU 172 CO -0.23 0.07 -2.17 0.41 -0.73 0.00 0.00 179.01 176.36 1jba n GLY 173 N -1.67 -0.67 0.19 1.92 0.00 0.23 -3.91 105.19 101.29 1jba n GLY 173 Ca 0.22 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1jba n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba h ALA 174 N 0.58 0.88 -0.02 4.61 0.00 0.26 -2.48 119.26 123.09 1jba h ALA 174 Ca -0.46 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 53.94 1jba h ALA 174 Cb 1.95 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1jba h ALA 174 CO -0.01 0.68 -0.05 -0.09 0.00 0.00 0.00 179.25 179.78 1jba h ARG 175 N 0.27 0.06 -1.63 0.00 9.65 0.10 -3.09 114.38 119.75 1jba h ARG 175 Ca 0.01 -0.05 -0.29 0.00 -1.10 0.00 0.00 59.98 58.56 1jba h ARG 175 Cb 1.01 0.01 -0.12 0.00 -1.39 0.00 0.00 29.97 29.48 1jba h ARG 175 CO 0.09 0.68 0.34 -2.13 2.80 0.00 0.00 179.97 181.75 1jba n ARG 176 N -4.73 1.73 -0.38 0.20 0.63 -1.21 -4.94 116.66 107.97 1jba n ARG 176 Ca -0.09 -1.38 -0.20 0.00 -0.92 0.00 0.00 57.85 55.26 1jba n ARG 176 Cb 0.34 -1.56 0.20 0.00 0.45 0.00 0.00 32.46 31.88 1jba n ARG 176 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1jba n ASP 177 N 0.58 -3.44 0.00 6.15 5.68 -0.94 -4.93 116.55 119.66 1jba n ASP 177 Ca 0.27 -0.58 0.00 0.00 -0.50 0.00 0.00 54.79 53.98 1jba n ASP 177 Cb 0.57 -0.81 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1jba n ASP 177 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1jba n LYS 178 N -2.95 0.00 0.00 0.11 4.81 -1.26 -4.93 118.16 113.93 1jba n LYS 178 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1jba n LYS 178 Cb 0.40 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.45 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 0.00 -0.14 5.64 -0.00 -1.26 -4.97 117.44 116.71 1jba n TRP 179 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.38 1jba n TRP 179 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.30 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 1.27 0.00 5.87 -1.51 -1.92 -2.89 116.25 117.07 1jba h VAL 180 Ca 0.00 -1.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.01 1jba h VAL 180 Cb 0.00 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1jba h VAL 180 CO 0.00 0.50 0.00 0.80 -1.23 0.00 0.00 177.57 177.64 1jba n MET 181 N -4.10 0.00 -0.21 5.19 0.00 -1.26 -1.46 117.12 115.28 1jba n MET 181 Ca -0.01 0.89 0.01 0.00 -0.00 0.00 0.00 57.70 58.59 1jba n MET 181 Cb 0.50 -1.50 0.12 0.00 0.00 0.00 0.00 33.22 32.34 1jba n MET 181 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1jba h LYS 182 N 0.00 0.27 0.00 2.12 3.64 -1.91 -0.11 116.57 120.59 1jba h LYS 182 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1jba h LYS 182 Cb 0.00 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1jba h LYS 182 CO 0.00 0.18 0.00 -0.12 -2.27 0.00 0.00 179.45 177.24 1jba n MET 183 N -5.11 0.00 0.00 1.90 1.56 -0.54 -1.59 117.12 113.33 1jba n MET 183 Ca 0.10 0.71 0.07 0.00 -0.27 0.00 0.00 57.70 58.30 1jba n MET 183 Cb 0.34 -1.38 0.40 0.00 2.15 0.00 0.00 33.22 34.73 1jba n MET 183 CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71 1jba n LEU 184 N -2.22 0.00 0.00 -0.89 -0.00 -0.54 -4.24 117.00 109.11 1jba n LEU 184 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1jba n LEU 184 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1jba n LEU 184 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 177.39 179.06 1jba n GLN 185 N -0.75 0.00 0.00 1.47 7.27 -0.06 -5.04 117.38 120.28 1jba n GLN 185 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.17 1jba n GLN 185 Cb 0.05 -0.21 0.00 0.00 2.41 0.00 0.00 30.24 32.49 1jba n GLN 185 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1jba n MET 186 N -0.97 0.00 0.04 3.69 0.00 -0.91 -5.07 117.12 113.90 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 -0.25 0.00 0.00 0.00 175.97 175.72 1jba n ASP 187 N 0.00 0.71 0.00 3.17 8.00 -1.26 -4.73 116.55 122.44 1jba n ASP 187 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1jba n ASP 187 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 1jba n ASP 187 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1jba n LEU 188 N -3.20 0.01 -0.21 0.64 7.94 -1.26 -4.83 117.00 116.09 1jba n LEU 188 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 1jba n LEU 188 Cb 0.00 -0.15 0.02 0.00 0.53 0.00 0.00 43.42 43.82 1jba n LEU 188 CO 0.00 -0.01 0.81 -1.13 -1.11 0.00 0.00 177.39 175.96 1jba h ASN 189 N 0.00 1.04 0.00 1.96 -1.24 -2.06 -3.58 115.58 111.69 1jba h ASN 189 Ca 0.00 -0.31 0.00 0.00 0.71 0.00 0.00 56.30 56.70 1jba h ASN 189 Cb 0.00 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 38.77 1jba h ASN 189 CO 0.00 1.09 0.00 -0.81 -1.29 0.00 0.00 177.43 176.42