#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aj6 h LEU 13 N 0.00 0.18 -0.27 7.52 3.38 -2.01 -3.21 115.31 120.91 1aj6 h LEU 13 Ca 0.00 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1aj6 h LEU 13 Cb 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1aj6 h LEU 13 CO 0.00 0.99 -0.14 0.11 0.09 0.00 0.00 178.44 179.49 1aj6 h LYS 14 N 0.07 0.57 -0.96 1.13 1.79 -2.00 -2.60 116.57 114.56 1aj6 h LYS 14 Ca -0.04 -0.25 0.30 0.00 -2.18 0.00 0.00 60.65 58.47 1aj6 h LYS 14 Cb 1.56 -0.01 -0.17 0.00 -1.58 0.00 0.00 32.23 32.03 1aj6 h LYS 14 CO 0.13 0.82 0.21 0.78 -1.08 0.00 0.00 179.45 180.31 1aj6 h GLY 15 N 0.30 1.53 1.14 3.86 0.00 -1.96 1.28 103.07 109.22 1aj6 h GLY 15 Ca 0.06 0.03 -0.19 0.00 0.00 0.00 0.00 47.33 47.23 1aj6 h GLY 15 CO 0.04 -0.54 -0.59 1.41 0.00 0.00 0.00 176.54 176.86 1aj6 h LEU 16 N 0.06 0.96 -0.69 3.11 4.07 -1.62 -3.07 115.31 118.13 1aj6 h LEU 16 Ca 0.65 -0.56 0.07 0.00 0.08 0.00 0.00 57.88 58.12 1aj6 h LEU 16 Cb 1.44 -0.28 -0.06 0.00 1.08 0.00 0.00 40.66 42.85 1aj6 h LEU 16 CO -0.81 1.34 0.37 0.44 -1.08 0.00 0.00 178.44 178.70 1aj6 h ASP 17 N 0.62 0.54 -0.79 -0.43 3.32 0.19 0.57 116.42 120.43 1aj6 h ASP 17 Ca -0.00 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.14 1aj6 h ASP 17 Cb 1.20 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.63 1aj6 h ASP 17 CO 0.13 0.34 0.48 0.00 -1.72 0.00 0.00 179.24 178.47 1aj6 h ALA 18 N 1.37 1.08 0.02 3.45 0.00 -0.77 0.21 119.26 124.62 1aj6 h ALA 18 Ca 0.32 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1aj6 h ALA 18 Cb 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1aj6 h ALA 18 CO -0.20 0.20 -0.01 0.28 0.00 0.00 0.00 179.25 179.52 1aj6 h VAL 19 N 0.88 1.25 -0.71 0.00 2.07 -0.95 -2.50 116.25 116.29 1aj6 h VAL 19 Ca 0.35 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1aj6 h VAL 19 Cb 0.17 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1aj6 h VAL 19 CO -0.17 0.21 0.47 0.03 0.02 0.00 0.00 177.57 178.13 1aj6 h ARG 20 N -0.38 0.79 -0.61 1.57 3.08 -0.69 0.10 114.38 118.23 1aj6 h ARG 20 Ca -0.00 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1aj6 h ARG 20 Cb 0.36 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1aj6 h ARG 20 CO 0.00 0.52 0.40 -0.22 -1.07 0.00 0.00 179.97 179.61 1aj6 h LYS 21 N 0.81 0.79 -1.52 0.04 3.64 -0.32 -3.33 116.57 116.67 1aj6 h LYS 21 Ca 0.29 -0.05 -0.47 0.00 -1.27 0.00 0.00 60.65 59.16 1aj6 h LYS 21 Cb 0.13 -0.18 -0.41 0.00 -0.41 0.00 0.00 32.23 31.37 1aj6 h LYS 21 CO -0.09 0.52 -1.03 0.54 -2.27 0.00 0.00 179.45 177.12 1aj6 n ARG 22 N -4.67 1.83 -0.36 1.90 1.74 -0.96 -4.98 116.66 111.16 1aj6 n ARG 22 Ca 0.05 -3.75 0.05 0.00 -0.77 0.00 0.00 57.85 53.43 1aj6 n ARG 22 Cb 0.03 -1.69 0.12 0.00 -1.02 0.00 0.00 32.46 29.90 1aj6 n ARG 22 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1aj6 h PRO 23 N 2.91 -0.00 -1.10 5.56 0.13 -1.11 -0.04 132.00 138.35 1aj6 h PRO 23 Ca 0.06 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 65.49 1aj6 h PRO 23 Cb 0.99 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.03 1aj6 h PRO 23 CO 0.61 -0.00 0.72 0.78 -0.23 0.00 0.00 178.00 179.89 1aj6 h GLY 24 N -0.00 0.95 1.69 1.56 0.00 -1.87 0.13 103.07 105.53 1aj6 h GLY 24 Ca 0.45 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.57 1aj6 h GLY 24 CO -1.02 -0.13 -0.14 -0.33 0.00 0.00 0.00 176.54 174.92 1aj6 h MET 25 N 0.28 0.37 0.06 4.80 2.86 -1.28 -1.11 114.93 120.91 1aj6 h MET 25 Ca 0.61 -0.10 -0.36 0.00 -2.06 0.00 0.00 59.70 57.79 1aj6 h MET 25 Cb 1.77 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 33.35 1aj6 h MET 25 CO -0.24 0.51 -2.03 0.66 1.06 0.00 0.00 176.91 176.87 1aj6 n TYR 26 N -4.22 0.80 0.38 -0.22 4.02 0.23 -3.85 117.16 114.29 1aj6 n TYR 26 Ca -0.00 0.21 0.10 0.00 -0.01 0.00 0.00 57.90 58.20 1aj6 n TYR 26 Cb 0.30 -1.10 -0.14 0.00 -0.02 0.00 0.00 39.34 38.38 1aj6 n TYR 26 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 176.86 177.36 1aj6 n ILE 27 N -3.69 0.00 0.00 -0.72 0.13 0.11 0.12 119.36 115.31 1aj6 n ILE 27 Ca -0.38 -0.29 0.00 0.00 -1.10 0.00 0.00 62.75 60.98 1aj6 n ILE 27 Cb 0.95 0.42 0.00 0.00 -0.84 0.00 0.00 39.64 40.17 1aj6 n ILE 27 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1aj6 n GLY 28 N 1.38 0.70 3.68 4.50 0.00 -0.42 -4.17 105.19 110.86 1aj6 n GLY 28 Ca -0.01 -2.10 -0.55 0.00 0.00 0.00 0.00 46.02 43.36 1aj6 n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1aj6 n ASP 29 N 0.00 2.33 -0.66 1.61 -0.08 -1.06 -4.13 116.55 114.56 1aj6 n ASP 29 Ca 0.00 1.08 0.07 0.00 -1.51 0.00 0.00 54.79 54.42 1aj6 n ASP 29 Cb 0.00 -1.17 0.20 0.00 2.34 0.00 0.00 41.12 42.48 1aj6 n ASP 29 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1aj6 n THR 30 N 4.18 0.44 -0.00 5.18 -2.24 -1.26 -1.19 114.28 119.39 1aj6 n THR 30 Ca 0.24 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1aj6 n THR 30 Cb 0.16 0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.65 1aj6 n THR 30 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1aj6 n ASP 31 N 0.54 4.76 -1.18 3.42 -0.08 -1.26 -1.86 116.55 120.89 1aj6 n ASP 31 Ca 0.13 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.53 1aj6 n ASP 31 Cb 0.31 0.79 0.26 0.00 2.34 0.00 0.00 41.12 44.82 1aj6 n ASP 31 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1aj6 n ASP 32 N -1.78 3.50 0.00 1.67 5.68 -1.26 -3.48 116.55 120.87 1aj6 n ASP 32 Ca -0.01 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 1aj6 n ASP 32 Cb 0.28 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 1aj6 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aj6 n GLY 33 N 1.53 3.44 0.21 6.12 0.00 -1.26 -4.91 105.19 110.33 1aj6 n GLY 33 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 1aj6 n GLY 33 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1aj6 h THR 34 N 0.00 0.00 -0.65 2.61 2.02 -1.92 -1.82 112.91 113.14 1aj6 h THR 34 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1aj6 h THR 34 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.34 1aj6 h THR 34 CO 0.00 0.00 0.30 1.23 0.37 0.00 0.00 175.52 177.42 1aj6 h GLY 35 N -0.38 0.94 0.49 2.16 0.00 -1.32 -0.83 103.07 104.14 1aj6 h GLY 35 Ca -0.01 -0.19 0.10 0.00 0.00 0.00 0.00 47.33 47.23 1aj6 h GLY 35 CO -0.08 0.05 0.43 -2.00 0.00 0.00 0.00 176.54 174.94 1aj6 h LEU 36 N 0.53 0.60 0.00 3.11 5.85 -1.74 -1.47 115.31 122.20 1aj6 h LEU 36 Ca 0.31 0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.91 1aj6 h LEU 36 Cb 0.32 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1aj6 h LEU 36 CO -0.26 0.34 -0.97 0.45 -0.34 0.00 0.00 178.44 177.66 1aj6 h HIS 37 N 0.72 0.00 0.00 1.25 3.86 -0.72 -3.11 115.15 117.15 1aj6 h HIS 37 Ca 0.39 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.57 1aj6 h HIS 37 Cb 0.38 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 1aj6 h HIS 37 CO -0.08 0.80 -0.14 1.25 0.86 0.00 0.00 177.93 180.62 1aj6 h HIS 38 N 0.00 0.00 -0.85 2.45 -0.00 -0.67 0.16 115.15 116.24 1aj6 h HIS 38 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.30 1aj6 h HIS 38 Cb 1.66 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 29.03 1aj6 h HIS 38 CO 0.00 0.14 0.49 0.52 -0.00 0.00 0.00 177.93 179.08 1aj6 h MET 39 N 0.00 1.16 -0.29 5.26 2.07 -1.20 -1.85 114.93 120.08 1aj6 h MET 39 Ca -0.00 -0.12 -0.04 0.00 -2.07 0.00 0.00 59.70 57.47 1aj6 h MET 39 Cb 0.31 -0.24 -0.01 0.00 -1.87 0.00 0.00 31.60 29.79 1aj6 h MET 39 CO 0.02 0.83 0.02 0.28 1.07 0.00 0.00 176.91 179.12 1aj6 h VAL 40 N 1.17 1.25 -0.61 -2.22 2.07 -0.81 -3.30 116.25 113.81 1aj6 h VAL 40 Ca 0.30 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1aj6 h VAL 40 Cb -0.02 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1aj6 h VAL 40 CO -0.05 0.29 0.40 -0.26 0.02 0.00 0.00 177.57 177.96 1aj6 h PHE 41 N 0.31 0.77 -0.08 1.57 0.04 -1.08 -2.72 116.94 115.75 1aj6 h PHE 41 Ca 0.09 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1aj6 h PHE 41 Cb 0.40 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 38.29 1aj6 h PHE 41 CO 0.03 0.49 0.02 1.49 -0.60 0.00 0.00 178.31 179.74 1aj6 h GLU 42 N 0.83 0.12 -0.48 1.51 4.57 -1.42 0.68 114.58 120.39 1aj6 h GLU 42 Ca 0.22 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.44 1aj6 h GLU 42 Cb -0.09 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.43 1aj6 h GLU 42 CO -0.05 0.29 0.18 0.28 -1.18 0.00 0.00 179.01 178.52 1aj6 h VAL 43 N -0.07 0.85 -0.30 0.32 2.07 -1.64 -1.53 116.25 115.94 1aj6 h VAL 43 Ca 0.03 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1aj6 h VAL 43 Cb 0.21 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1aj6 h VAL 43 CO -0.00 0.06 0.14 0.58 0.02 0.00 0.00 177.57 178.37 1aj6 h VAL 44 N 0.35 1.16 -0.75 2.57 2.07 -1.40 -0.97 116.25 119.29 1aj6 h VAL 44 Ca 0.23 -0.48 0.17 0.00 0.82 0.00 0.00 66.70 67.44 1aj6 h VAL 44 Cb 0.23 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1aj6 h VAL 44 CO -0.23 0.17 0.51 0.44 0.02 0.00 0.00 177.57 178.48 1aj6 h ASP 45 N 0.35 0.27 -0.41 0.57 3.32 -0.21 0.31 116.42 120.61 1aj6 h ASP 45 Ca 0.10 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 1aj6 h ASP 45 Cb 0.14 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1aj6 h ASP 45 CO -0.01 0.13 -0.17 0.78 -1.72 0.00 0.00 179.24 178.25 1aj6 h ASN 46 N 0.29 0.87 -0.43 6.45 4.21 -0.20 -1.71 115.58 125.04 1aj6 h ASN 46 Ca 0.37 -0.39 -0.11 0.00 1.21 0.00 0.00 56.30 57.37 1aj6 h ASN 46 Cb 1.03 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.97 1aj6 h ASN 46 CO -0.09 1.07 -0.15 0.00 -1.29 0.00 0.00 177.43 176.96 1aj6 h ALA 47 N 0.83 0.82 0.00 -0.83 0.00 -0.43 -2.64 119.26 117.01 1aj6 h ALA 47 Ca 0.10 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1aj6 h ALA 47 Cb 0.73 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1aj6 h ALA 47 CO 0.06 0.65 -0.28 0.82 0.00 0.00 0.00 179.25 180.49 1aj6 h ILE 48 N 0.81 1.18 -0.40 0.00 2.04 -0.30 -1.75 117.51 119.08 1aj6 h ILE 48 Ca 0.12 -0.97 -0.15 0.00 1.00 0.00 0.00 64.86 64.86 1aj6 h ILE 48 Cb 0.70 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1aj6 h ILE 48 CO 0.05 0.28 -0.33 0.44 0.00 0.00 0.00 178.15 178.58 1aj6 h ASP 49 N 0.00 0.97 0.17 1.72 3.32 -0.97 -0.58 116.42 121.05 1aj6 h ASP 49 Ca -0.00 -0.42 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 1aj6 h ASP 49 Cb 0.51 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1aj6 h ASP 49 CO 0.04 1.21 -0.15 -0.08 -1.72 0.00 0.00 179.24 178.53 1aj6 h GLU 50 N 0.77 0.00 -0.05 3.56 4.57 -1.04 -0.56 114.58 121.83 1aj6 h GLU 50 Ca 0.08 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 1aj6 h GLU 50 Cb 0.92 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1aj6 h GLU 50 CO 0.09 0.15 -0.19 0.00 -1.18 0.00 0.00 179.01 177.88 1aj6 h ALA 51 N 1.85 0.08 0.00 2.92 0.00 -0.94 -2.22 119.26 120.94 1aj6 h ALA 51 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1aj6 h ALA 51 Cb 0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1aj6 h ALA 51 CO 0.02 0.04 -0.00 -0.07 0.00 0.00 0.00 179.25 179.24 1aj6 h LEU 52 N -0.34 0.00 -0.08 0.00 -0.00 -0.51 0.13 115.31 114.51 1aj6 h LEU 52 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1aj6 h LEU 52 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.50 1aj6 h LEU 52 CO 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.48 1aj6 n ALA 53 N -2.13 2.21 -0.03 1.53 0.00 -0.27 -4.91 120.51 116.91 1aj6 n ALA 53 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1aj6 n ALA 53 Cb 0.08 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1aj6 n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aj6 n GLY 54 N 1.16 0.89 0.28 0.00 0.00 0.46 -4.99 105.19 102.99 1aj6 n GLY 54 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1aj6 n GLY 54 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1aj6 n HIS 55 N -2.02 0.00 -4.53 1.61 8.25 -0.85 -4.99 115.22 112.68 1aj6 n HIS 55 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 1aj6 n HIS 55 Cb 0.00 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 30.96 1aj6 n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1aj6 n LYS 57 N 3.12 2.75 -3.96 0.00 4.76 -1.26 -4.36 118.16 119.21 1aj6 n LYS 57 Ca -0.17 -0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.12 1aj6 n LYS 57 Cb 0.54 -1.13 -0.15 0.00 -1.84 0.00 0.00 35.03 32.46 1aj6 n LYS 57 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1aj6 s GLU 58 N -2.16 0.18 -0.09 1.97 2.12 -1.26 -3.23 118.70 116.24 1aj6 s GLU 58 Ca -0.02 -0.03 0.04 0.00 0.36 0.00 0.00 54.97 55.31 1aj6 s GLU 58 Cb 0.02 -0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.18 1aj6 s GLU 58 CO 0.21 -0.00 -0.22 0.42 -0.54 0.00 0.00 175.26 175.12 1aj6 s ILE 59 N 0.22 1.89 -0.22 -3.70 1.01 0.10 -3.49 121.20 117.01 1aj6 s ILE 59 Ca -0.02 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1aj6 s ILE 59 Cb -0.04 -1.64 0.03 0.00 0.01 0.00 0.00 42.46 40.81 1aj6 s ILE 59 CO -0.01 0.52 -0.12 -0.63 0.00 0.00 0.00 174.94 174.71 1aj6 s ILE 60 N 0.36 2.47 -0.28 2.92 1.01 -0.17 -0.67 121.20 126.84 1aj6 s ILE 60 Ca -0.17 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 59.36 1aj6 s ILE 60 Cb -0.17 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1aj6 s ILE 60 CO 0.08 0.31 0.06 -0.69 0.00 0.00 0.00 174.94 174.69 1aj6 s VAL 61 N 1.28 3.91 -0.11 2.92 1.01 0.14 -1.27 120.40 128.28 1aj6 s VAL 61 Ca 0.01 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1aj6 s VAL 61 Cb -0.16 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1aj6 s VAL 61 CO -0.08 0.16 -0.23 -0.89 0.00 0.00 0.00 175.10 174.06 1aj6 s THR 62 N 1.51 2.09 -0.25 3.92 2.01 -0.33 -0.35 115.64 124.25 1aj6 s THR 62 Ca 0.03 -1.00 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 1aj6 s THR 62 Cb -0.16 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 1aj6 s THR 62 CO 0.02 0.56 0.37 -0.63 -0.69 0.00 0.00 174.62 174.24 1aj6 s ILE 63 N 0.39 5.19 0.13 1.82 1.01 0.12 -1.87 121.20 128.00 1aj6 s ILE 63 Ca -0.17 0.59 -0.11 0.00 0.00 0.00 0.00 60.65 60.96 1aj6 s ILE 63 Cb -0.18 -3.70 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 1aj6 s ILE 63 CO 0.08 0.19 0.48 -1.00 0.00 0.00 0.00 174.94 174.69 1aj6 s HIS 64 N 1.79 3.56 -1.67 3.97 3.76 0.12 -0.41 115.29 126.40 1aj6 s HIS 64 Ca 0.16 0.88 0.22 0.00 -0.15 0.00 0.00 55.06 56.17 1aj6 s HIS 64 Cb -0.15 -2.24 1.19 0.00 1.11 0.00 0.00 32.58 32.49 1aj6 s HIS 64 CO 0.09 0.44 1.70 0.00 -0.85 0.00 0.00 174.74 176.12 1aj6 n ALA 65 N 0.64 2.21 -0.27 -1.40 0.00 -1.26 -0.46 120.51 119.96 1aj6 n ALA 65 Ca -0.05 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.35 1aj6 n ALA 65 Cb 0.52 -1.35 0.31 0.00 0.00 0.00 0.00 19.45 18.93 1aj6 n ALA 65 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1aj6 n ASP 66 N -1.16 4.10 -3.27 0.00 5.75 -1.26 -4.92 116.55 115.78 1aj6 n ASP 66 Ca 0.13 -2.34 -0.17 0.00 -0.01 0.00 0.00 54.79 52.40 1aj6 n ASP 66 Cb 0.13 -0.52 0.08 0.00 -1.03 0.00 0.00 41.12 39.78 1aj6 n ASP 66 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1aj6 n ASN 67 N 1.01 -3.07 -4.22 -1.12 5.15 0.39 -5.03 115.26 108.37 1aj6 n ASN 67 Ca 0.22 -0.55 -0.22 0.00 -0.60 0.00 0.00 54.58 53.43 1aj6 n ASN 67 Cb 0.76 -4.75 -0.13 0.00 -0.53 0.00 0.00 39.78 35.13 1aj6 n ASN 67 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1aj6 s SER 68 N -4.01 2.12 -0.05 1.20 1.04 -1.18 -4.66 113.70 108.16 1aj6 s SER 68 Ca 0.14 -0.60 0.06 0.00 0.48 0.00 0.00 55.95 56.03 1aj6 s SER 68 Cb -0.06 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 1aj6 s SER 68 CO 0.67 0.03 -0.25 -0.69 0.98 0.00 0.00 173.24 173.99 1aj6 s VAL 69 N -1.08 2.04 0.05 5.02 1.01 -1.11 0.12 120.40 126.45 1aj6 s VAL 69 Ca 0.03 -1.07 0.09 0.00 0.00 0.00 0.00 61.98 61.03 1aj6 s VAL 69 Cb -0.09 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1aj6 s VAL 69 CO 0.03 0.57 -0.25 -0.94 0.00 0.00 0.00 175.10 174.51 1aj6 s SER 70 N -0.23 2.98 -0.19 3.32 1.04 -0.78 -1.70 113.70 118.14 1aj6 s SER 70 Ca -0.02 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 55.83 1aj6 s SER 70 Cb -0.13 -0.26 0.05 0.00 0.10 0.00 0.00 66.02 65.78 1aj6 s SER 70 CO 0.03 0.23 -0.03 -0.69 0.98 0.00 0.00 173.24 173.76 1aj6 s VAL 71 N -0.81 1.07 -0.12 5.02 1.01 -0.17 -1.18 120.40 125.20 1aj6 s VAL 71 Ca 0.11 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 1aj6 s VAL 71 Cb -0.10 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1aj6 s VAL 71 CO 0.02 -0.04 0.04 -1.58 0.00 0.00 0.00 175.10 173.55 1aj6 s GLN 72 N 1.63 3.40 0.21 2.72 2.00 -0.40 -1.78 119.66 127.45 1aj6 s GLN 72 Ca -0.02 -0.34 0.04 0.00 -2.00 0.00 0.00 55.36 53.04 1aj6 s GLN 72 Cb -0.17 -3.00 -0.05 0.00 0.80 0.00 0.00 33.01 30.59 1aj6 s GLN 72 CO -0.07 0.57 -0.02 0.16 -0.50 0.00 0.00 175.29 175.42 1aj6 s ASP 73 N -0.48 1.81 -0.26 6.67 1.47 0.13 -1.00 116.67 125.00 1aj6 s ASP 73 Ca 0.10 -1.17 0.11 0.00 1.18 0.00 0.00 52.55 52.76 1aj6 s ASP 73 Cb -0.12 0.01 0.51 0.00 -0.34 0.00 0.00 42.92 42.98 1aj6 s ASP 73 CO 0.02 -0.47 1.45 -0.90 0.68 0.00 0.00 175.17 175.95 1aj6 n ASP 74 N -0.37 2.78 -2.80 2.11 5.68 -1.23 -2.69 116.55 120.03 1aj6 n ASP 74 Ca -0.06 -3.59 0.00 0.00 -0.50 0.00 0.00 54.79 50.63 1aj6 n ASP 74 Cb 0.63 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1aj6 n ASP 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aj6 n GLY 75 N -1.01 -1.31 0.25 6.12 0.00 -1.24 -4.60 105.19 103.39 1aj6 n GLY 75 Ca 0.31 -1.57 0.09 0.00 0.00 0.00 0.00 46.02 44.84 1aj6 n GLY 75 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1aj6 h ARG 76 N 0.00 0.00 -0.12 1.61 3.08 -1.92 -2.59 114.38 114.44 1aj6 h ARG 76 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1aj6 h ARG 76 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1aj6 h ARG 76 CO 0.00 0.12 0.00 0.41 -1.07 0.00 0.00 179.97 179.43 1aj6 n GLY 77 N -1.06 -0.66 3.68 0.04 0.00 -1.26 -4.48 105.19 101.44 1aj6 n GLY 77 Ca -0.02 -1.15 -0.45 0.00 0.00 0.00 0.00 46.02 44.39 1aj6 n GLY 77 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1aj6 n ILE 78 N 1.47 0.27 -1.60 -0.61 5.41 -1.26 -4.81 119.36 118.23 1aj6 n ILE 78 Ca 0.00 -0.07 -0.53 0.00 1.00 0.00 0.00 62.75 63.15 1aj6 n ILE 78 Cb 0.00 -1.57 -0.06 0.00 -0.71 0.00 0.00 39.64 37.30 1aj6 n ILE 78 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1aj6 n PRO 79 N 3.06 1.02 0.02 0.38 -0.02 -1.26 -4.83 135.00 133.37 1aj6 n PRO 79 Ca 0.15 0.37 -0.22 0.00 -2.02 0.00 0.00 63.50 61.78 1aj6 n PRO 79 Cb 0.30 -2.00 -0.14 0.00 -0.02 0.00 0.00 33.50 31.64 1aj6 n PRO 79 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1aj6 h THR 80 N 3.52 0.92 -2.10 3.45 1.35 -1.98 -3.05 112.91 115.02 1aj6 h THR 80 Ca -0.48 -2.40 -0.50 0.00 -0.55 0.00 0.00 66.41 62.48 1aj6 h THR 80 Cb 1.34 2.66 0.24 0.00 -1.73 0.00 0.00 68.15 70.66 1aj6 h THR 80 CO 0.79 0.76 -1.60 0.61 -0.25 0.00 0.00 175.52 175.82 1aj6 n GLY 81 N 1.80 -2.96 3.72 5.82 0.00 -1.26 -4.36 105.19 107.95 1aj6 n GLY 81 Ca -0.27 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 1aj6 n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aj6 s ILE 82 N -2.16 2.67 0.00 -0.61 -1.09 -1.26 -2.80 121.20 115.96 1aj6 s ILE 82 Ca 0.47 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 59.11 1aj6 s ILE 82 Cb -0.08 -2.47 0.00 0.00 -1.58 0.00 0.00 42.46 38.33 1aj6 s ILE 82 CO 0.70 -0.29 0.00 0.52 -1.23 0.00 0.00 174.94 174.64 1aj6 n VAL 88 N -3.90 0.00 -1.84 2.92 0.31 -1.26 -4.82 118.33 109.74 1aj6 n VAL 88 Ca 0.10 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.11 1aj6 n VAL 88 Cb 0.53 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.48 1aj6 n VAL 88 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1aj6 s SER 89 N 0.00 5.57 0.41 4.52 1.04 -1.26 -4.91 113.70 119.07 1aj6 s SER 89 Ca 0.00 1.75 0.12 0.00 0.48 0.00 0.00 55.95 58.29 1aj6 s SER 89 Cb 0.00 -2.52 0.88 0.00 0.10 0.00 0.00 66.02 64.49 1aj6 s SER 89 CO 0.00 -1.31 1.95 0.00 0.98 0.00 0.00 173.24 174.87 1aj6 h ALA 90 N -0.05 1.60 -0.53 5.32 0.00 -1.70 -1.30 119.26 122.61 1aj6 h ALA 90 Ca -0.46 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 1aj6 h ALA 90 Cb 1.22 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1aj6 h ALA 90 CO 0.57 0.29 0.18 0.00 0.00 0.00 0.00 179.25 180.29 1aj6 h ALA 91 N 1.73 0.69 -0.90 0.00 0.00 -1.81 -0.58 119.26 118.39 1aj6 h ALA 91 Ca 0.03 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1aj6 h ALA 91 Cb 0.34 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1aj6 h ALA 91 CO 0.02 0.33 0.58 1.49 0.00 0.00 0.00 179.25 181.68 1aj6 h GLU 92 N 0.72 1.12 -0.39 0.00 4.81 -1.65 -0.44 114.58 118.75 1aj6 h GLU 92 Ca 0.17 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1aj6 h GLU 92 Cb 0.25 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1aj6 h GLU 92 CO -0.01 0.74 0.24 0.28 -0.73 0.00 0.00 179.01 179.54 1aj6 h VAL 93 N 1.15 1.12 -0.44 0.32 2.07 -0.59 -0.88 116.25 119.01 1aj6 h VAL 93 Ca 0.35 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1aj6 h VAL 93 Cb -0.04 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1aj6 h VAL 93 CO -0.10 0.12 0.15 0.40 0.02 0.00 0.00 177.57 178.15 1aj6 h ILE 94 N 0.52 1.18 0.00 4.57 1.08 -0.33 -1.26 117.51 123.27 1aj6 h ILE 94 Ca 0.14 -0.59 0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1aj6 h ILE 94 Cb -0.02 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 34.42 1aj6 h ILE 94 CO -0.03 0.22 0.00 0.24 -0.69 0.00 0.00 178.15 177.90 1aj6 h MET 95 N 0.63 0.00 0.00 2.37 2.86 -0.34 -3.32 114.93 117.13 1aj6 h MET 95 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1aj6 h MET 95 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1aj6 h MET 95 CO -0.01 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.21 1aj6 n THR 96 N -3.08 0.00 -5.04 2.22 -2.24 -0.41 -4.14 114.28 101.60 1aj6 n THR 96 Ca 0.04 -0.49 -0.32 0.00 -2.27 0.00 0.00 64.05 61.00 1aj6 n THR 96 Cb 0.51 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.59 1aj6 n THR 96 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1aj6 s VAL 97 N -0.47 2.57 0.16 2.28 1.01 -0.51 -4.68 120.40 120.75 1aj6 s VAL 97 Ca 0.00 -0.87 -0.31 0.00 0.00 0.00 0.00 61.98 60.80 1aj6 s VAL 97 Cb 0.00 -2.00 -0.10 0.00 0.00 0.00 0.00 36.38 34.28 1aj6 s VAL 97 CO 0.00 0.56 1.58 -0.76 0.00 0.00 0.00 175.10 176.48 1aj6 s LEU 98 N -0.08 4.37 -1.11 3.92 1.43 -1.26 -2.91 118.68 123.04 1aj6 s LEU 98 Ca -0.04 2.62 -0.02 0.00 -1.03 0.00 0.00 54.13 55.65 1aj6 s LEU 98 Cb -0.14 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1aj6 s LEU 98 CO 0.04 -0.84 0.04 0.00 0.23 0.00 0.00 176.35 175.83 1aj6 n HIS 99 N 4.13 -0.92 -1.55 0.29 1.44 -1.26 -4.70 115.22 112.65 1aj6 n HIS 99 Ca 0.14 0.41 -0.64 0.00 -2.01 0.00 0.00 57.72 55.62 1aj6 n HIS 99 Cb 0.39 -2.04 -0.11 0.00 0.12 0.00 0.00 29.99 28.35 1aj6 n HIS 99 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1aj6 n ALA 100 N -3.65 -0.65 -0.33 1.59 0.00 -1.14 0.39 120.51 116.72 1aj6 n ALA 100 Ca -0.23 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1aj6 n ALA 100 Cb 0.50 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1aj6 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aj6 n GLY 101 N 5.41 2.31 0.00 0.00 0.00 -1.26 -4.93 105.19 106.72 1aj6 n GLY 101 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1aj6 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aj6 n GLY 102 N -2.00 5.21 3.22 -0.02 0.00 0.16 -5.19 105.19 106.58 1aj6 n GLY 102 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1aj6 n GLY 102 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aj6 s LYS 103 N 4.45 0.88 0.00 1.61 2.20 -1.26 -4.88 119.74 122.74 1aj6 s LYS 103 Ca 0.00 -0.98 0.00 0.00 -0.36 0.00 0.00 55.97 54.63 1aj6 s LYS 103 Cb 0.00 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.67 1aj6 s LYS 103 CO 0.00 -0.29 0.00 1.19 -0.36 0.00 0.00 175.35 175.89 1aj6 n PHE 104 N -0.08 0.00 0.00 4.03 3.72 -1.26 -5.01 117.46 118.86 1aj6 n PHE 104 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1aj6 n PHE 104 Cb 0.62 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.16 1aj6 n PHE 104 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1aj6 n SER 112 N 0.00 0.00 -0.17 4.37 2.88 -1.26 -5.19 113.62 114.25 1aj6 n SER 112 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1aj6 n SER 112 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1aj6 n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1aj6 n GLY 113 N -0.26 -0.20 7.00 0.46 0.00 -1.26 -2.55 105.19 108.38 1aj6 n GLY 113 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1aj6 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aj6 n GLY 114 N 1.21 -0.41 3.87 -0.02 0.00 -1.26 -3.64 105.19 104.94 1aj6 n GLY 114 Ca 0.04 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 1aj6 n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aj6 s LEU 115 N 0.00 4.31 0.21 0.99 1.43 0.32 -4.80 118.68 121.15 1aj6 s LEU 115 Ca 0.00 0.80 -0.17 0.00 -1.03 0.00 0.00 54.13 53.72 1aj6 s LEU 115 Cb 0.00 -3.16 -0.08 0.00 0.03 0.00 0.00 46.19 42.98 1aj6 s LEU 115 CO 0.00 0.11 0.67 -2.28 0.23 0.00 0.00 176.35 175.08 1aj6 s HIS 116 N -1.51 3.61 -1.58 0.29 5.65 -1.26 -3.78 115.29 116.70 1aj6 s HIS 116 Ca 0.37 1.27 -0.15 0.00 0.25 0.00 0.00 55.06 56.80 1aj6 s HIS 116 Cb -0.13 -2.53 0.11 0.00 -1.18 0.00 0.00 32.58 28.84 1aj6 s HIS 116 CO 0.20 0.34 0.92 0.41 -0.65 0.00 0.00 174.74 175.96 1aj6 n GLY 117 N 0.63 -0.48 0.16 1.59 0.00 -1.26 -4.82 105.19 101.01 1aj6 n GLY 117 Ca -0.03 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1aj6 n GLY 117 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1aj6 n VAL 118 N -4.60 0.99 0.00 1.61 0.24 -1.25 -4.95 118.33 110.38 1aj6 n VAL 118 Ca 0.05 0.67 0.00 0.00 -2.04 0.00 0.00 64.34 63.02 1aj6 n VAL 118 Cb 0.52 -1.67 0.00 0.00 -1.47 0.00 0.00 33.84 31.22 1aj6 n VAL 118 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aj6 n GLY 119 N -1.12 0.18 0.25 7.63 0.00 -1.26 -4.51 105.19 106.36 1aj6 n GLY 119 Ca -0.01 -1.56 0.17 0.00 0.00 0.00 0.00 46.02 44.62 1aj6 n GLY 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1aj6 h VAL 120 N 0.00 0.00 -0.20 1.61 3.04 -1.91 -2.87 116.25 115.91 1aj6 h VAL 120 Ca 0.00 -0.31 -0.05 0.00 -1.01 0.00 0.00 66.70 65.33 1aj6 h VAL 120 Cb 0.00 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 1aj6 h VAL 120 CO 0.00 0.00 -0.08 0.77 -1.01 0.00 0.00 177.57 177.25 1aj6 h SER 121 N 0.00 0.30 0.06 3.17 4.64 -1.72 0.28 113.55 120.27 1aj6 h SER 121 Ca 0.00 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.09 1aj6 h SER 121 Cb 0.34 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1aj6 h SER 121 CO 0.00 0.42 -0.60 0.58 -0.87 0.00 0.00 176.83 176.35 1aj6 h VAL 122 N 0.30 1.33 -0.44 0.95 2.07 -1.73 -0.96 116.25 117.77 1aj6 h VAL 122 Ca 0.06 -1.88 -0.14 0.00 0.82 0.00 0.00 66.70 65.56 1aj6 h VAL 122 Cb 0.34 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1aj6 h VAL 122 CO 0.02 0.58 -0.27 0.58 0.02 0.00 0.00 177.57 178.50 1aj6 h VAL 123 N 0.41 1.27 -0.21 2.57 2.07 -1.34 -2.26 116.25 118.75 1aj6 h VAL 123 Ca -0.00 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1aj6 h VAL 123 Cb 1.16 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1aj6 h VAL 123 CO 0.11 0.49 0.13 -1.13 0.02 0.00 0.00 177.57 177.19 1aj6 h ASN 124 N 0.80 0.22 -0.25 0.57 -1.24 -0.30 -2.78 115.58 112.59 1aj6 h ASN 124 Ca 0.09 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 1aj6 h ASN 124 Cb 0.85 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.83 1aj6 h ASN 124 CO 0.07 0.16 0.13 0.00 -1.29 0.00 0.00 177.43 176.50 1aj6 h ALA 125 N 1.08 1.67 -0.49 1.57 0.00 -1.03 -2.36 119.26 119.70 1aj6 h ALA 125 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aj6 h ALA 125 Cb -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1aj6 h ALA 125 CO -0.03 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.77 1aj6 n LEU 126 N -4.42 3.75 -4.45 0.00 4.77 -0.87 -4.33 117.00 111.45 1aj6 n LEU 126 Ca 0.01 -1.89 -0.34 0.00 -0.03 0.00 0.00 56.01 53.76 1aj6 n LEU 126 Cb 0.12 -0.51 -0.13 0.00 -2.33 0.00 0.00 43.42 40.58 1aj6 n LEU 126 CO 0.36 0.63 -0.37 -0.44 -1.33 0.00 0.00 177.39 176.24 1aj6 s SER 127 N -0.78 4.63 0.40 -1.43 0.01 -0.92 -0.94 113.70 114.67 1aj6 s SER 127 Ca 0.39 -0.20 0.07 0.00 1.31 0.00 0.00 55.95 57.52 1aj6 s SER 127 Cb 0.25 -1.76 0.84 0.00 0.21 0.00 0.00 66.02 65.56 1aj6 s SER 127 CO 0.18 0.13 2.03 0.06 0.41 0.00 0.00 173.24 176.06 1aj6 h GLN 128 N 6.97 0.50 -2.48 12.44 -0.00 -0.61 -0.94 115.11 130.99 1aj6 h GLN 128 Ca -0.32 -0.04 -0.09 0.00 -0.00 0.00 0.00 58.65 58.20 1aj6 h GLN 128 Cb 1.19 -0.11 -0.22 0.00 -0.00 0.00 0.00 27.48 28.35 1aj6 h GLN 128 CO 0.61 0.37 -0.08 0.21 -0.00 0.00 0.00 178.83 179.94 1aj6 s LYS 129 N -5.36 0.69 -0.02 0.06 2.47 -1.09 -2.90 119.74 113.58 1aj6 s LYS 129 Ca -0.08 0.53 0.00 0.00 -1.56 0.00 0.00 55.97 54.86 1aj6 s LYS 129 Cb 0.17 0.33 0.02 0.00 -1.46 0.00 0.00 37.83 36.89 1aj6 s LYS 129 CO 0.73 -0.13 0.00 -1.17 0.16 0.00 0.00 175.35 174.95 1aj6 s LEU 130 N -0.17 1.45 -0.12 5.43 0.20 -0.75 0.01 118.68 124.73 1aj6 s LEU 130 Ca -0.04 -0.01 0.02 0.00 0.69 0.00 0.00 54.13 54.79 1aj6 s LEU 130 Cb -0.03 -0.12 -0.01 0.00 -0.43 0.00 0.00 46.19 45.60 1aj6 s LEU 130 CO 0.03 -0.07 -0.18 -0.70 -0.29 0.00 0.00 176.35 175.14 1aj6 s GLU 131 N 0.65 3.24 -0.17 1.98 2.12 0.19 -1.45 118.70 125.26 1aj6 s GLU 131 Ca -0.06 -0.77 -0.01 0.00 0.36 0.00 0.00 54.97 54.50 1aj6 s GLU 131 Cb -0.09 -2.50 -0.00 0.00 0.26 0.00 0.00 34.13 31.80 1aj6 s GLU 131 CO -0.01 0.19 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.59 1aj6 s LEU 132 N 0.38 2.60 -0.14 2.70 2.96 -0.10 -1.54 118.68 125.54 1aj6 s LEU 132 Ca -0.14 -0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 53.34 1aj6 s LEU 132 Cb -0.17 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 44.95 1aj6 s LEU 132 CO 0.07 0.07 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.41 1aj6 s VAL 133 N 0.89 1.08 -0.08 1.68 1.01 0.32 -2.06 120.40 123.23 1aj6 s VAL 133 Ca -0.03 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1aj6 s VAL 133 Cb -0.15 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1aj6 s VAL 133 CO -0.01 0.26 -0.21 -0.63 0.00 0.00 0.00 175.10 174.51 1aj6 s ILE 134 N 1.67 1.84 -0.10 2.22 1.01 -0.10 -0.48 121.20 127.27 1aj6 s ILE 134 Ca 0.03 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1aj6 s ILE 134 Cb -0.14 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.74 1aj6 s ILE 134 CO -0.08 0.51 -0.20 -1.10 0.00 0.00 0.00 174.94 174.07 1aj6 s GLN 135 N 0.33 2.67 0.00 2.79 -0.21 -0.03 -1.59 119.66 123.61 1aj6 s GLN 135 Ca -0.15 -0.74 0.00 0.00 0.02 0.00 0.00 55.36 54.49 1aj6 s GLN 135 Cb -0.17 -2.10 0.00 0.00 1.00 0.00 0.00 33.01 31.74 1aj6 s GLN 135 CO 0.07 0.07 0.00 -2.39 -2.12 0.00 0.00 175.29 170.92 1aj6 n HIS 136 N 3.81 0.00 -2.64 0.91 1.44 -1.06 -0.69 115.22 116.99 1aj6 n HIS 136 Ca -0.20 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.32 1aj6 n HIS 136 Cb 0.52 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.64 1aj6 n HIS 136 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1aj6 n GLU 137 N -0.12 -2.90 -1.14 -1.40 1.02 -1.26 -2.56 120.64 112.28 1aj6 n GLU 137 Ca 0.00 0.88 -0.05 0.00 -0.02 0.00 0.00 57.16 57.97 1aj6 n GLU 137 Cb 0.00 -5.50 -0.02 0.00 -0.02 0.00 0.00 31.44 25.90 1aj6 n GLU 137 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aj6 n GLY 138 N -1.23 0.70 3.33 0.62 0.00 -1.26 -5.01 105.19 102.34 1aj6 n GLY 138 Ca -0.17 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 1aj6 n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aj6 s LYS 139 N -1.86 1.31 -0.09 1.61 1.02 -1.06 -2.09 119.74 118.59 1aj6 s LYS 139 Ca 0.00 -1.64 0.04 0.00 0.02 0.00 0.00 55.97 54.40 1aj6 s LYS 139 Cb 0.00 -0.74 -0.00 0.00 -0.52 0.00 0.00 37.83 36.57 1aj6 s LYS 139 CO 0.00 -0.02 -0.24 0.42 -0.92 0.00 0.00 175.35 174.60 1aj6 s ILE 140 N -3.30 2.02 -0.01 2.17 1.01 -0.74 -2.56 121.20 119.79 1aj6 s ILE 140 Ca 0.25 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.94 1aj6 s ILE 140 Cb 0.04 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 1aj6 s ILE 140 CO 0.07 0.55 -0.16 -1.00 0.00 0.00 0.00 174.94 174.41 1aj6 s HIS 141 N 0.22 1.44 0.04 3.97 3.76 -0.62 0.00 115.29 124.10 1aj6 s HIS 141 Ca -0.15 -0.28 -0.06 0.00 -0.15 0.00 0.00 55.06 54.42 1aj6 s HIS 141 Cb -0.17 -0.93 -0.01 0.00 1.11 0.00 0.00 32.58 32.58 1aj6 s HIS 141 CO 0.07 -0.03 0.10 0.50 -0.85 0.00 0.00 174.74 174.53 1aj6 s ARG 142 N -0.34 0.59 -0.14 1.40 3.52 -0.37 -0.92 118.95 122.68 1aj6 s ARG 142 Ca 0.05 -0.74 -0.22 0.00 -0.13 0.00 0.00 55.73 54.70 1aj6 s ARG 142 Cb -0.07 0.23 0.05 0.00 -1.56 0.00 0.00 34.95 33.61 1aj6 s ARG 142 CO -0.00 -0.15 0.56 -1.14 -0.81 0.00 0.00 175.30 173.76 1aj6 s GLN 143 N -2.55 0.76 -0.10 5.12 0.74 -0.87 -1.63 119.66 121.13 1aj6 s GLN 143 Ca -0.05 0.51 0.02 0.00 0.05 0.00 0.00 55.36 55.89 1aj6 s GLN 143 Cb -0.01 0.36 -0.01 0.00 1.10 0.00 0.00 33.01 34.45 1aj6 s GLN 143 CO -0.04 -0.16 -0.18 0.42 -0.55 0.00 0.00 175.29 174.78 1aj6 s ILE 144 N -0.32 2.65 0.21 -2.34 -1.09 -1.26 -0.93 121.20 118.13 1aj6 s ILE 144 Ca -0.05 -0.82 0.10 0.00 -2.23 0.00 0.00 60.65 57.65 1aj6 s ILE 144 Cb -0.03 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.74 1aj6 s ILE 144 CO 0.04 0.55 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.80 1aj6 s TYR 145 N 0.09 2.00 -0.12 3.97 1.51 -0.53 -0.90 117.35 123.37 1aj6 s TYR 145 Ca -0.08 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.52 1aj6 s TYR 145 Cb -0.15 -0.93 0.04 0.00 -0.11 0.00 0.00 41.96 40.81 1aj6 s TYR 145 CO 0.05 0.48 0.03 -1.21 -1.11 0.00 0.00 175.55 173.79 1aj6 s GLU 146 N -3.21 0.48 -1.46 -0.62 2.02 0.13 -1.80 118.70 114.23 1aj6 s GLU 146 Ca 0.22 -0.05 -0.10 0.00 0.02 0.00 0.00 54.97 55.06 1aj6 s GLU 146 Cb -0.04 -1.39 0.06 0.00 0.10 0.00 0.00 34.13 32.85 1aj6 s GLU 146 CO 0.10 -0.46 0.93 0.72 0.02 0.00 0.00 175.26 176.57 1aj6 n HIS 147 N 5.15 -2.25 0.00 1.61 8.25 -0.36 -1.52 115.22 126.10 1aj6 n HIS 147 Ca -0.07 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.29 1aj6 n HIS 147 Cb 0.49 -4.18 0.00 0.00 1.12 0.00 0.00 29.99 27.42 1aj6 n HIS 147 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aj6 n GLY 148 N -1.69 2.05 3.71 -1.41 0.00 -1.00 -4.75 105.19 102.10 1aj6 n GLY 148 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1aj6 n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aj6 s VAL 149 N -2.67 5.30 0.14 1.61 1.01 -0.57 -4.87 120.40 120.34 1aj6 s VAL 149 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 61.98 61.82 1aj6 s VAL 149 Cb 0.00 -3.42 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 1aj6 s VAL 149 CO 0.00 0.44 1.31 -2.16 0.00 0.00 0.00 175.10 174.69 1aj6 s PRO 150 N 0.41 4.38 0.02 2.72 0.04 -1.26 0.17 135.00 141.48 1aj6 s PRO 150 Ca 0.07 2.00 0.24 0.00 0.04 0.00 0.00 61.00 63.35 1aj6 s PRO 150 Cb -0.11 -3.25 0.34 0.00 0.04 0.00 0.00 34.50 31.52 1aj6 s PRO 150 CO -0.01 -0.31 1.29 1.04 0.04 0.00 0.00 177.00 179.05 1aj6 n GLN 151 N 3.38 0.09 -3.61 4.56 1.13 -0.08 -4.91 117.38 117.93 1aj6 n GLN 151 Ca 0.09 0.01 -0.02 0.00 -1.94 0.00 0.00 57.00 55.14 1aj6 n GLN 151 Cb 0.43 -1.54 -0.01 0.00 0.11 0.00 0.00 30.24 29.23 1aj6 n GLN 151 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1aj6 s ALA 152 N -3.06 -2.12 0.85 -1.58 0.00 -1.26 -5.06 121.76 109.54 1aj6 s ALA 152 Ca 0.09 1.20 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 1aj6 s ALA 152 Cb 0.16 0.10 0.11 0.00 0.00 0.00 0.00 23.12 23.49 1aj6 s ALA 152 CO 0.73 -0.78 1.11 -1.25 0.00 0.00 0.00 175.76 175.57 1aj6 s PRO 153 N -2.46 1.56 0.04 0.00 0.04 -1.26 -4.63 135.00 128.29 1aj6 s PRO 153 Ca 0.11 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.08 1aj6 s PRO 153 Cb 0.01 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 1aj6 s PRO 153 CO -0.04 -2.15 1.24 -1.17 0.04 0.00 0.00 177.00 174.92 1aj6 s LEU 154 N -6.25 4.35 0.07 -3.56 2.96 -1.26 -4.76 118.68 110.22 1aj6 s LEU 154 Ca 0.64 2.03 0.03 0.00 -0.22 0.00 0.00 54.13 56.60 1aj6 s LEU 154 Cb -0.19 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.89 1aj6 s LEU 154 CO 0.57 -0.54 -0.09 0.00 -1.32 0.00 0.00 176.35 174.97 1aj6 s ALA 155 N 1.42 0.84 0.21 5.97 0.00 -0.64 -4.93 121.76 124.62 1aj6 s ALA 155 Ca 0.59 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 51.27 1aj6 s ALA 155 Cb -0.30 0.04 -0.08 0.00 0.00 0.00 0.00 23.12 22.78 1aj6 s ALA 155 CO 0.28 -0.03 1.17 0.14 0.00 0.00 0.00 175.76 177.32 1aj6 s VAL 156 N -1.95 3.55 -0.38 0.00 -7.23 -1.26 -1.24 120.40 111.90 1aj6 s VAL 156 Ca -0.02 1.37 0.05 0.00 -1.81 0.00 0.00 61.98 61.56 1aj6 s VAL 156 Cb -0.06 -3.87 -0.01 0.00 0.56 0.00 0.00 36.38 32.99 1aj6 s VAL 156 CO -0.00 0.25 0.38 0.35 -0.31 0.00 0.00 175.10 175.76 1aj6 n THR 157 N 2.13 0.00 -3.47 5.32 -2.24 0.10 -4.94 114.28 111.18 1aj6 n THR 157 Ca 0.03 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1aj6 n THR 157 Cb 0.45 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1aj6 n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aj6 n GLY 158 N 0.77 -1.04 3.58 3.38 0.00 -1.24 -5.00 105.19 105.65 1aj6 n GLY 158 Ca 0.02 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 1aj6 n GLY 158 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aj6 s GLU 159 N -0.94 2.11 0.22 1.61 0.41 -1.26 -1.79 118.70 119.05 1aj6 s GLU 159 Ca 0.00 -1.24 -0.13 0.00 -0.41 0.00 0.00 54.97 53.19 1aj6 s GLU 159 Cb 0.00 -2.19 0.00 0.00 -1.78 0.00 0.00 34.13 30.16 1aj6 s GLU 159 CO 0.00 0.44 0.45 -0.08 -0.49 0.00 0.00 175.26 175.58 1aj6 s THR 160 N -1.70 0.02 -0.28 3.63 -1.32 -0.89 -4.79 115.64 110.32 1aj6 s THR 160 Ca 0.25 -1.24 0.05 0.00 -1.21 0.00 0.00 61.69 59.54 1aj6 s THR 160 Cb -0.09 -1.96 -0.04 0.00 -1.51 0.00 0.00 72.50 68.90 1aj6 s THR 160 CO 0.16 -0.10 0.25 -0.62 -2.21 0.00 0.00 174.62 172.10 1aj6 n GLU 161 N -0.34 4.85 -2.71 7.08 1.02 -1.26 -4.20 120.64 125.08 1aj6 n GLU 161 Ca -0.05 -0.08 -0.21 0.00 -0.02 0.00 0.00 57.16 56.80 1aj6 n GLU 161 Cb 0.62 -0.77 0.06 0.00 -0.02 0.00 0.00 31.44 31.33 1aj6 n GLU 161 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1aj6 s LYS 162 N -1.37 2.28 0.08 3.49 3.01 -1.26 -4.97 119.74 121.00 1aj6 s LYS 162 Ca 0.02 -1.04 0.04 0.00 -1.01 0.00 0.00 55.97 53.98 1aj6 s LYS 162 Cb 0.04 -2.49 -0.03 0.00 -1.01 0.00 0.00 37.83 34.34 1aj6 s LYS 162 CO 0.19 -0.91 -0.11 -0.08 0.51 0.00 0.00 175.35 174.95 1aj6 s THR 163 N -2.82 0.93 0.00 2.17 -1.32 -1.26 -3.84 115.64 109.50 1aj6 s THR 163 Ca 0.60 -1.46 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 1aj6 s THR 163 Cb -0.08 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.74 1aj6 s THR 163 CO 0.40 -0.44 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 1aj6 n GLY 164 N 0.90 3.32 3.35 6.08 0.00 0.13 -4.37 105.19 114.61 1aj6 n GLY 164 Ca -0.18 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 1aj6 n GLY 164 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aj6 s THR 165 N -2.00 2.47 -0.11 2.61 2.01 -1.09 -0.85 115.64 118.68 1aj6 s THR 165 Ca 0.00 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.08 1aj6 s THR 165 Cb 0.00 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.60 1aj6 s THR 165 CO 0.00 0.57 -0.11 -0.32 -0.69 0.00 0.00 174.62 174.08 1aj6 s MET 166 N -0.39 1.76 -0.11 4.92 0.00 0.37 0.18 119.30 126.03 1aj6 s MET 166 Ca 0.04 -0.37 0.04 0.00 0.00 0.00 0.00 55.69 55.39 1aj6 s MET 166 Cb -0.12 -1.65 0.00 0.00 0.00 0.00 0.00 34.83 33.06 1aj6 s MET 166 CO 0.02 -0.17 -0.23 0.08 0.00 0.00 0.00 175.02 174.72 1aj6 s VAL 167 N 1.33 2.01 -0.04 10.11 1.01 -0.73 -0.52 120.40 133.56 1aj6 s VAL 167 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1aj6 s VAL 167 Cb -0.14 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1aj6 s VAL 167 CO -0.05 0.55 -0.02 -0.60 0.00 0.00 0.00 175.10 174.97 1aj6 s ARG 168 N 0.49 0.64 0.10 2.72 3.52 -0.59 -1.00 118.95 124.82 1aj6 s ARG 168 Ca -0.16 -0.01 0.03 0.00 -0.13 0.00 0.00 55.73 55.46 1aj6 s ARG 168 Cb -0.17 -0.76 -0.04 0.00 -1.56 0.00 0.00 34.95 32.42 1aj6 s ARG 168 CO 0.06 -0.14 -0.09 -0.59 -0.81 0.00 0.00 175.30 173.73 1aj6 s PHE 169 N 1.15 1.01 -0.29 5.12 -0.71 -0.69 0.54 117.98 124.12 1aj6 s PHE 169 Ca -0.08 -0.69 0.03 0.00 -1.04 0.00 0.00 56.93 55.15 1aj6 s PHE 169 Cb -0.14 -0.56 0.08 0.00 -1.21 0.00 0.00 43.02 41.19 1aj6 s PHE 169 CO -0.01 -0.03 -0.03 -1.58 -1.34 0.00 0.00 175.22 172.23 1aj6 s TRP 170 N -2.61 3.21 0.39 3.49 0.51 0.10 -2.77 118.94 121.26 1aj6 s TRP 170 Ca 0.06 -2.44 -0.26 0.00 -2.12 0.00 0.00 56.10 51.34 1aj6 s TRP 170 Cb -0.02 -2.21 -0.11 0.00 -0.81 0.00 0.00 33.47 30.33 1aj6 s TRP 170 CO -0.01 -0.89 1.21 -0.35 -0.51 0.00 0.00 176.95 176.41 1aj6 n PRO 171 N 4.43 1.84 -2.18 4.98 -0.04 -1.26 -0.03 135.00 142.74 1aj6 n PRO 171 Ca -0.07 0.65 -0.42 0.00 -0.04 0.00 0.00 63.50 63.63 1aj6 n PRO 171 Cb 0.42 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.59 1aj6 n PRO 171 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1aj6 s SER 172 N -0.51 6.84 0.01 3.54 0.15 -0.12 -4.16 113.70 119.46 1aj6 s SER 172 Ca 0.60 2.39 0.28 0.00 0.70 0.00 0.00 55.95 59.92 1aj6 s SER 172 Cb -0.55 -2.60 1.05 0.00 -1.71 0.00 0.00 66.02 62.22 1aj6 s SER 172 CO 0.59 -0.60 1.80 -0.11 1.20 0.00 0.00 173.24 176.12 1aj6 n LEU 173 N 3.23 0.14 0.13 3.45 -0.00 -1.26 -2.06 117.00 120.63 1aj6 n LEU 173 Ca 0.09 0.39 0.12 0.00 -0.00 0.00 0.00 56.01 56.60 1aj6 n LEU 173 Cb 0.42 -0.44 0.20 0.00 -0.00 0.00 0.00 43.42 43.61 1aj6 n LEU 173 CO 0.58 0.02 0.57 -0.33 -0.00 0.00 0.00 177.39 178.24 1aj6 h GLU 174 N 0.00 0.00 0.00 1.96 3.07 -1.96 -3.37 114.58 114.28 1aj6 h GLU 174 Ca 0.00 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.56 1aj6 h GLU 174 Cb 0.51 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.37 1aj6 h GLU 174 CO 0.00 0.00 -1.86 2.41 -1.40 0.00 0.00 179.01 178.16 1aj6 n THR 175 N -2.57 1.52 -3.04 1.13 -1.04 -1.12 -4.96 114.28 104.18 1aj6 n THR 175 Ca 0.03 -0.17 -0.41 0.00 -2.04 0.00 0.00 64.05 61.46 1aj6 n THR 175 Cb 0.49 -2.04 -0.06 0.00 -1.82 0.00 0.00 70.33 66.90 1aj6 n THR 175 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1aj6 s PHE 176 N -2.54 3.24 0.33 -1.42 0.08 -0.88 -4.92 117.98 111.89 1aj6 s PHE 176 Ca -0.33 0.78 0.10 0.00 0.12 0.00 0.00 56.93 57.59 1aj6 s PHE 176 Cb 0.10 -3.01 -0.06 0.00 -0.57 0.00 0.00 43.02 39.48 1aj6 s PHE 176 CO 0.48 -0.44 -0.06 0.95 -0.10 0.00 0.00 175.22 176.04 1aj6 s THR 177 N 2.69 2.47 0.00 0.64 -4.23 -0.78 -4.76 115.64 111.68 1aj6 s THR 177 Ca 0.28 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 1aj6 s THR 177 Cb -0.15 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1aj6 s THR 177 CO 0.10 -0.23 0.00 -3.20 -0.54 0.00 0.00 174.62 170.75 1aj6 n ASN 178 N -0.84 0.00 -4.38 3.99 5.15 -1.26 -4.13 115.26 113.79 1aj6 n ASN 178 Ca -0.05 0.00 -0.45 0.00 -0.60 0.00 0.00 54.58 53.49 1aj6 n ASN 178 Cb 0.62 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.83 1aj6 n ASN 178 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1aj6 s VAL 179 N 0.00 4.80 -0.30 3.44 1.01 -1.23 -4.85 120.40 123.26 1aj6 s VAL 179 Ca 0.00 -0.99 0.14 0.00 0.00 0.00 0.00 61.98 61.13 1aj6 s VAL 179 Cb 0.00 -4.51 -0.18 0.00 0.00 0.00 0.00 36.38 31.69 1aj6 s VAL 179 CO 0.00 -1.16 0.43 0.35 0.00 0.00 0.00 175.10 174.72 1aj6 n THR 180 N 5.55 0.00 -4.17 3.92 -2.24 -1.26 -4.51 114.28 111.56 1aj6 n THR 180 Ca -0.08 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.09 1aj6 n THR 180 Cb 0.43 0.57 -0.09 0.00 -2.10 0.00 0.00 70.33 69.13 1aj6 n THR 180 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1aj6 s GLU 181 N -2.63 3.36 0.50 -0.78 8.01 -1.26 -5.07 118.70 120.82 1aj6 s GLU 181 Ca -0.00 -0.33 -0.23 0.00 0.01 0.00 0.00 54.97 54.41 1aj6 s GLU 181 Cb 0.09 -2.99 -0.06 0.00 -4.31 0.00 0.00 34.13 26.86 1aj6 s GLU 181 CO 0.56 0.60 1.34 -0.06 0.01 0.00 0.00 175.26 177.71 1aj6 s PHE 182 N -0.56 2.46 -0.20 1.61 0.08 -1.26 -5.00 117.98 115.10 1aj6 s PHE 182 Ca 0.10 1.38 0.01 0.00 0.12 0.00 0.00 56.93 58.54 1aj6 s PHE 182 Cb -0.12 -3.75 0.04 0.00 -0.57 0.00 0.00 43.02 38.62 1aj6 s PHE 182 CO 0.02 -2.62 -0.13 -2.00 -0.10 0.00 0.00 175.22 170.40 1aj6 s GLU 183 N -2.71 2.30 0.26 0.44 2.12 -1.26 -5.03 118.70 114.82 1aj6 s GLU 183 Ca 0.67 -0.90 -0.04 0.00 0.36 0.00 0.00 54.97 55.06 1aj6 s GLU 183 Cb -0.39 -2.51 0.52 0.00 0.26 0.00 0.00 34.13 32.01 1aj6 s GLU 183 CO 0.48 -0.39 1.66 -0.92 -0.54 0.00 0.00 175.26 175.55 1aj6 h TYR 184 N 7.94 0.22 -0.98 5.30 5.03 -2.01 -1.93 116.97 130.54 1aj6 h TYR 184 Ca -0.31 0.05 0.10 0.00 2.58 0.00 0.00 58.73 61.14 1aj6 h TYR 184 Cb 1.10 0.03 -0.08 0.00 1.55 0.00 0.00 36.73 39.33 1aj6 h TYR 184 CO 0.52 -0.15 0.62 0.93 -1.32 0.00 0.00 178.16 178.75 1aj6 h GLU 185 N 0.22 1.00 -0.61 1.82 5.08 -1.99 -1.36 114.58 118.74 1aj6 h GLU 185 Ca 0.45 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.67 1aj6 h GLU 185 Cb 0.81 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1aj6 h GLU 185 CO -0.58 0.66 0.08 0.82 -1.00 0.00 0.00 179.01 178.99 1aj6 h ILE 186 N 1.03 1.26 -0.02 3.13 2.04 -1.79 -2.78 117.51 120.38 1aj6 h ILE 186 Ca 0.46 -1.02 -0.18 0.00 1.00 0.00 0.00 64.86 65.13 1aj6 h ILE 186 Cb 0.36 0.70 0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1aj6 h ILE 186 CO -0.23 0.38 -0.68 -0.07 0.00 0.00 0.00 178.15 177.55 1aj6 h LEU 187 N 0.94 0.63 -1.31 1.44 4.07 -1.49 -3.18 115.31 116.41 1aj6 h LEU 187 Ca 0.19 -0.74 -0.04 0.00 0.08 0.00 0.00 57.88 57.37 1aj6 h LEU 187 Cb 0.44 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 1aj6 h LEU 187 CO 0.01 1.28 0.07 0.00 -1.08 0.00 0.00 178.44 178.72 1aj6 h ALA 188 N 0.36 1.45 -0.30 1.53 0.00 -1.25 0.18 119.26 121.23 1aj6 h ALA 188 Ca -0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1aj6 h ALA 188 Cb 1.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1aj6 h ALA 188 CO 0.13 0.40 0.05 -0.22 0.00 0.00 0.00 179.25 179.61 1aj6 h LYS 189 N 0.52 0.50 -0.07 0.00 3.64 -1.57 -1.84 116.57 117.75 1aj6 h LYS 189 Ca 0.12 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1aj6 h LYS 189 Cb 0.23 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1aj6 h LYS 189 CO -0.00 0.60 -0.27 -0.09 -2.27 0.00 0.00 179.45 177.42 1aj6 h ARG 190 N 0.32 0.31 -0.72 1.90 9.65 -1.38 -2.23 114.38 122.23 1aj6 h ARG 190 Ca 0.09 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 1aj6 h ARG 190 Cb 0.35 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.93 1aj6 h ARG 190 CO 0.01 0.87 0.47 -0.07 2.80 0.00 0.00 179.97 184.04 1aj6 h LEU 191 N -0.19 0.83 -0.04 3.80 3.38 -0.74 0.12 115.31 122.46 1aj6 h LEU 191 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1aj6 h LEU 191 Cb 0.91 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1aj6 h LEU 191 CO 0.06 0.61 0.01 -0.09 0.09 0.00 0.00 178.44 179.12 1aj6 h ARG 192 N 0.98 0.03 -0.83 1.13 2.43 -1.29 -1.04 114.38 115.79 1aj6 h ARG 192 Ca 0.26 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.47 1aj6 h ARG 192 Cb -0.10 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.39 1aj6 h ARG 192 CO -0.06 0.02 0.52 0.93 -1.51 0.00 0.00 179.97 179.88 1aj6 h GLU 193 N 0.03 0.97 -0.68 0.20 5.08 -0.50 -2.72 114.58 116.96 1aj6 h GLU 193 Ca 0.02 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1aj6 h GLU 193 Cb 0.01 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1aj6 h GLU 193 CO -0.02 0.64 0.32 -0.07 -1.00 0.00 0.00 179.01 178.88 1aj6 h LEU 194 N 0.99 0.90 -0.75 1.33 3.38 -0.50 -1.76 115.31 118.90 1aj6 h LEU 194 Ca 0.34 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1aj6 h LEU 194 Cb 0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1aj6 h LEU 194 CO -0.14 0.79 0.12 0.77 0.09 0.00 0.00 178.44 180.07 1aj6 h SER 195 N 0.95 1.01 -0.46 -0.43 4.64 -0.89 -1.80 113.55 116.58 1aj6 h SER 195 Ca 0.23 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1aj6 h SER 195 Cb 0.13 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1aj6 h SER 195 CO -0.03 1.00 0.18 0.15 -0.87 0.00 0.00 176.83 177.26 1aj6 h PHE 196 N 1.00 0.70 0.00 4.77 3.04 -1.34 -2.02 116.94 123.09 1aj6 h PHE 196 Ca 0.20 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1aj6 h PHE 196 Cb 0.41 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.71 1aj6 h PHE 196 CO 0.03 0.60 0.00 1.28 -2.02 0.00 0.00 178.31 178.20 1aj6 n LEU 197 N -4.58 0.00 -3.16 0.59 4.77 -0.67 -3.60 117.00 110.34 1aj6 n LEU 197 Ca 0.01 0.46 -0.23 0.00 -0.03 0.00 0.00 56.01 56.22 1aj6 n LEU 197 Cb 0.16 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.74 1aj6 n LEU 197 CO 0.38 -0.08 -0.12 0.59 -1.33 0.00 0.00 177.39 176.82 1aj6 n ASN 198 N -1.46 1.88 -4.49 -1.43 4.13 -0.69 -5.07 115.26 108.14 1aj6 n ASN 198 Ca 0.07 -3.15 -0.56 0.00 1.68 0.00 0.00 54.58 52.62 1aj6 n ASN 198 Cb 0.26 -0.62 -0.07 0.00 -1.54 0.00 0.00 39.78 37.82 1aj6 n ASN 198 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1aj6 n SER 199 N 0.48 -0.17 0.00 6.41 3.41 -1.10 -1.89 113.62 120.76 1aj6 n SER 199 Ca 0.26 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 60.02 1aj6 n SER 199 Cb 0.54 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1aj6 n SER 199 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aj6 n GLY 200 N 1.64 2.67 3.69 5.00 0.00 -1.26 -5.05 105.19 111.87 1aj6 n GLY 200 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1aj6 n GLY 200 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aj6 s VAL 201 N -2.66 4.74 -0.25 1.61 -7.23 -0.79 -5.01 120.40 110.81 1aj6 s VAL 201 Ca 0.00 2.01 -0.13 0.00 -1.81 0.00 0.00 61.98 62.06 1aj6 s VAL 201 Cb 0.00 -4.30 -0.05 0.00 0.56 0.00 0.00 36.38 32.60 1aj6 s VAL 201 CO 0.00 -0.01 0.26 -0.55 -0.31 0.00 0.00 175.10 174.49 1aj6 s SER 202 N 1.13 6.18 -0.09 4.85 0.15 -1.20 -4.64 113.70 120.08 1aj6 s SER 202 Ca 0.49 0.19 0.02 0.00 0.70 0.00 0.00 55.95 57.34 1aj6 s SER 202 Cb -0.18 -2.16 0.01 0.00 -1.71 0.00 0.00 66.02 61.98 1aj6 s SER 202 CO 0.17 -0.05 -0.15 -0.63 1.20 0.00 0.00 173.24 173.79 1aj6 s ILE 203 N 1.54 1.39 0.03 6.45 1.01 -1.09 -0.72 121.20 129.81 1aj6 s ILE 203 Ca 0.11 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.21 1aj6 s ILE 203 Cb -0.15 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 1aj6 s ILE 203 CO 0.08 0.42 -0.13 -0.13 0.00 0.00 0.00 174.94 175.17 1aj6 s ARG 204 N 0.79 2.27 -0.08 2.79 0.52 0.15 -1.37 118.95 124.03 1aj6 s ARG 204 Ca -0.11 -0.88 0.04 0.00 -0.52 0.00 0.00 55.73 54.26 1aj6 s ARG 204 Cb -0.16 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 33.00 1aj6 s ARG 204 CO 0.02 0.56 -0.21 -1.17 0.02 0.00 0.00 175.30 174.53 1aj6 s LEU 205 N -1.44 1.96 -0.02 2.53 0.20 -0.47 0.24 118.68 121.68 1aj6 s LEU 205 Ca 0.16 -0.46 0.02 0.00 0.69 0.00 0.00 54.13 54.53 1aj6 s LEU 205 Cb -0.11 -1.21 0.01 0.00 -0.43 0.00 0.00 46.19 44.45 1aj6 s LEU 205 CO 0.06 0.15 -0.06 -0.13 -0.29 0.00 0.00 176.35 176.08 1aj6 s ARG 206 N 0.27 0.74 -0.47 1.98 0.52 0.52 -0.79 118.95 121.72 1aj6 s ARG 206 Ca -0.13 -0.20 -0.11 0.00 -0.52 0.00 0.00 55.73 54.78 1aj6 s ARG 206 Cb -0.16 -0.72 0.11 0.00 0.52 0.00 0.00 34.95 34.70 1aj6 s ARG 206 CO 0.06 0.05 0.35 0.34 0.02 0.00 0.00 175.30 176.11 1aj6 s ASP 207 N 0.34 5.78 0.53 0.23 -1.08 1.00 0.16 116.67 123.63 1aj6 s ASP 207 Ca -0.04 -1.74 0.27 0.00 -0.52 0.00 0.00 52.55 50.51 1aj6 s ASP 207 Cb -0.09 -2.04 1.49 0.00 -1.46 0.00 0.00 42.92 40.82 1aj6 s ASP 207 CO 0.00 -0.67 2.10 0.11 0.52 0.00 0.00 175.17 177.23 1aj6 h LYS 208 N 8.52 0.00 0.00 4.34 6.56 -1.03 0.25 116.57 135.20 1aj6 h LYS 208 Ca -0.23 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.35 1aj6 h LYS 208 Cb 1.08 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.74 1aj6 h LYS 208 CO 0.86 0.10 -0.04 0.00 -2.06 0.00 0.00 179.45 178.31 1aj6 h ARG 209 N 0.00 0.00 0.00 3.15 3.08 -1.89 -3.36 114.38 115.36 1aj6 h ARG 209 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1aj6 h ARG 209 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1aj6 h ARG 209 CO 0.01 0.04 0.00 -0.40 -1.07 0.00 0.00 179.97 178.55 1aj6 n ASP 210 N -3.34 0.00 0.00 7.04 5.68 -0.91 -5.03 116.55 119.99 1aj6 n ASP 210 Ca -0.02 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.27 1aj6 n ASP 210 Cb 0.17 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1aj6 n ASP 210 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1aj6 n GLY 211 N 0.00 0.54 3.72 6.12 0.00 0.83 -5.03 105.19 111.38 1aj6 n GLY 211 Ca 0.00 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1aj6 n GLY 211 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aj6 s LYS 212 N -0.18 4.66 0.04 1.61 2.47 -1.22 -4.87 119.74 122.25 1aj6 s LYS 212 Ca 0.00 1.43 0.01 0.00 -1.56 0.00 0.00 55.97 55.85 1aj6 s LYS 212 Cb 0.00 -3.40 -0.03 0.00 -1.46 0.00 0.00 37.83 32.94 1aj6 s LYS 212 CO 0.00 0.15 -0.05 -1.83 0.16 0.00 0.00 175.35 173.77 1aj6 s GLU 213 N 0.26 0.50 0.01 4.03 4.04 -1.26 -0.00 118.70 126.28 1aj6 s GLU 213 Ca 0.48 -0.84 -0.02 0.00 0.04 0.00 0.00 54.97 54.63 1aj6 s GLU 213 Cb -0.23 -0.07 -0.01 0.00 0.02 0.00 0.00 34.13 33.84 1aj6 s GLU 213 CO 0.29 -0.02 0.02 -0.51 -1.84 0.00 0.00 175.26 173.20 1aj6 s ASP 214 N -1.90 0.14 -0.20 0.83 1.01 0.03 -4.99 116.67 111.58 1aj6 s ASP 214 Ca -0.07 -0.33 -0.02 0.00 0.71 0.00 0.00 52.55 52.84 1aj6 s ASP 214 Cb -0.06 0.12 0.06 0.00 1.01 0.00 0.00 42.92 44.05 1aj6 s ASP 214 CO -0.02 -0.26 0.01 -2.28 0.21 0.00 0.00 175.17 172.83 1aj6 s HIS 215 N -1.16 1.37 -0.35 4.23 5.65 -1.26 -1.37 115.29 122.39 1aj6 s HIS 215 Ca -0.13 -1.08 -0.16 0.00 0.25 0.00 0.00 55.06 53.94 1aj6 s HIS 215 Cb -0.08 -1.16 -0.01 0.00 -1.18 0.00 0.00 32.58 30.15 1aj6 s HIS 215 CO -0.00 -0.65 0.40 -0.06 -0.65 0.00 0.00 174.74 173.77 1aj6 s PHE 216 N 1.74 3.20 0.00 3.88 0.08 -0.47 -5.02 117.98 121.40 1aj6 s PHE 216 Ca -0.02 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.01 1aj6 s PHE 216 Cb -0.18 -2.74 0.00 0.00 -0.57 0.00 0.00 43.02 39.54 1aj6 s PHE 216 CO -0.07 -0.48 0.21 -2.39 -0.10 0.00 0.00 175.22 172.39