#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mh6 s ASP 3 N 0.00 4.06 -0.13 8.00 1.11 -1.26 -4.93 116.67 123.51 1mh6 s ASP 3 Ca 0.00 0.27 0.00 0.00 0.18 0.00 0.00 52.55 53.00 1mh6 s ASP 3 Cb 0.00 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.47 1mh6 s ASP 3 CO 0.00 -3.61 -0.13 0.00 1.18 0.00 0.00 175.17 172.61 1mh6 s GLN 4 N 8.68 2.14 -0.29 8.23 -2.07 -1.26 -5.12 119.66 129.97 1mh6 s GLN 4 Ca 0.93 -0.50 -0.24 0.00 -1.82 0.00 0.00 55.36 53.73 1mh6 s GLN 4 Cb -0.14 -1.97 0.00 0.00 -1.09 0.00 0.00 33.01 29.81 1mh6 s GLN 4 CO 0.12 -0.21 0.82 0.00 -1.32 0.00 0.00 175.29 174.70 1mh6 s ALA 5 N 1.44 3.55 -0.07 2.60 0.00 -1.26 -5.07 121.76 122.95 1mh6 s ALA 5 Ca 0.03 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.68 1mh6 s ALA 5 Cb -0.13 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1mh6 s ALA 5 CO -0.09 -1.17 -0.16 0.95 0.00 0.00 0.00 175.76 175.30 1mh6 s THR 6 N 2.99 2.91 0.23 0.00 -4.23 -1.26 -5.10 115.64 111.18 1mh6 s THR 6 Ca 0.34 -0.76 -0.30 0.00 -1.18 0.00 0.00 61.69 59.79 1mh6 s THR 6 Cb -0.14 -2.15 -0.09 0.00 1.34 0.00 0.00 72.50 71.47 1mh6 s THR 6 CO 0.12 0.57 1.05 -2.16 -0.54 0.00 0.00 174.62 173.66 1mh6 s PRO 7 N -0.40 4.69 -0.44 3.99 0.04 -1.25 -4.94 135.00 136.69 1mh6 s PRO 7 Ca 0.04 1.67 -0.01 0.00 0.04 0.00 0.00 61.00 62.74 1mh6 s PRO 7 Cb -0.12 -3.25 0.12 0.00 0.04 0.00 0.00 34.50 31.29 1mh6 s PRO 7 CO 0.02 0.26 0.22 -0.80 0.04 0.00 0.00 177.00 176.74 1mh6 s ASN 8 N -0.71 5.11 0.23 6.66 0.02 -1.26 -1.87 114.94 123.11 1mh6 s ASN 8 Ca 0.45 -2.25 0.06 0.00 -1.02 0.00 0.00 52.86 50.10 1mh6 s ASN 8 Cb -0.29 -1.79 -0.04 0.00 0.02 0.00 0.00 41.25 39.16 1mh6 s ASN 8 CO 0.36 -0.47 0.20 -0.76 0.02 0.00 0.00 177.10 176.46 1mh6 s LEU 9 N 0.81 3.87 0.05 0.60 1.43 -1.22 -4.84 118.68 119.38 1mh6 s LEU 9 Ca 0.11 -0.18 -0.27 0.00 -1.03 0.00 0.00 54.13 52.76 1mh6 s LEU 9 Cb -0.22 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 1mh6 s LEU 9 CO -0.04 -0.01 0.83 -2.16 0.23 0.00 0.00 176.35 175.20 1mh6 s PRO 10 N -3.67 4.55 -0.04 1.29 0.04 -1.26 -1.00 135.00 134.91 1mh6 s PRO 10 Ca 0.33 1.19 0.02 0.00 0.04 0.00 0.00 61.00 62.58 1mh6 s PRO 10 Cb -0.09 -3.38 0.01 0.00 0.04 0.00 0.00 34.50 31.08 1mh6 s PRO 10 CO 0.25 0.21 -0.09 0.45 0.04 0.00 0.00 177.00 177.87 1mh6 s SER 11 N 0.13 1.25 -0.08 6.66 0.15 -0.66 -4.92 113.70 116.23 1mh6 s SER 11 Ca 0.42 -0.19 -0.13 0.00 0.70 0.00 0.00 55.95 56.75 1mh6 s SER 11 Cb -0.21 -0.44 -0.10 0.00 -1.71 0.00 0.00 66.02 63.56 1mh6 s SER 11 CO 0.25 0.03 0.46 0.03 1.20 0.00 0.00 173.24 175.22 1mh6 h ARG 12 N 6.66 -0.16 -5.41 5.44 3.08 -1.86 -0.95 114.38 121.18 1mh6 h ARG 12 Ca -0.34 0.01 -0.63 0.00 0.07 0.00 0.00 59.98 59.09 1mh6 h ARG 12 Cb 1.17 0.04 -0.18 0.00 0.08 0.00 0.00 29.97 31.08 1mh6 h ARG 12 CO 0.48 0.13 -0.61 0.34 -1.07 0.00 0.00 179.97 179.25 1mh6 s ASP 13 N -5.50 5.29 0.15 7.04 2.15 -1.26 -4.63 116.67 119.90 1mh6 s ASP 13 Ca -0.08 0.03 0.27 0.00 0.43 0.00 0.00 52.55 53.20 1mh6 s ASP 13 Cb -0.00 -1.82 0.94 0.00 -0.30 0.00 0.00 42.92 41.73 1mh6 s ASP 13 CO 0.27 0.21 1.82 0.49 -0.17 0.00 0.00 175.17 177.79 1mh6 n PHE 14 N 3.27 0.66 -0.06 -5.34 3.72 -1.26 -2.57 117.46 115.88 1mh6 n PHE 14 Ca -0.17 0.19 -0.15 0.00 -0.05 0.00 0.00 57.45 57.27 1mh6 n PHE 14 Cb 0.53 -0.81 -0.13 0.00 -0.94 0.00 0.00 39.48 38.12 1mh6 n PHE 14 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1mh6 h ASP 15 N 0.00 0.05 0.09 4.37 3.32 -1.99 -3.29 116.42 118.98 1mh6 h ASP 15 Ca 0.00 -0.99 0.01 0.00 0.02 0.00 0.00 57.03 56.06 1mh6 h ASP 15 Cb 0.67 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1mh6 h ASP 15 CO 0.00 1.04 -0.13 0.28 -1.72 0.00 0.00 179.24 178.71 1mh6 h SER 16 N -0.93 -0.35 -0.61 6.45 0.02 -2.00 -1.44 113.55 114.69 1mh6 h SER 16 Ca -0.02 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 1mh6 h SER 16 Cb 1.07 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 1mh6 h SER 16 CO 0.02 -0.19 0.13 0.74 -1.14 0.00 0.00 176.83 176.38 1mh6 h THR 17 N -0.27 1.25 0.46 -2.27 2.02 -1.74 -2.53 112.91 109.83 1mh6 h THR 17 Ca 0.02 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 1mh6 h THR 17 Cb 0.27 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1mh6 h THR 17 CO -0.06 0.36 -0.36 0.00 0.37 0.00 0.00 175.52 175.83 1mh6 h ALA 18 N 1.17 -0.83 -0.16 6.16 0.00 -1.61 -2.96 119.26 121.03 1mh6 h ALA 18 Ca 0.20 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1mh6 h ALA 18 Cb 0.38 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1mh6 h ALA 18 CO 0.01 -0.99 0.31 0.00 0.00 0.00 0.00 179.25 178.57 1mh6 h ALA 19 N -0.40 1.65 0.74 0.00 0.00 -1.30 -0.60 119.26 119.36 1mh6 h ALA 19 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1mh6 h ALA 19 Cb 0.69 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1mh6 h ALA 19 CO 0.00 -0.39 -0.36 0.35 0.00 0.00 0.00 179.25 178.85 1mh6 h PHE 20 N 0.00 -0.93 0.15 0.00 3.57 -1.35 -3.41 116.94 114.98 1mh6 h PHE 20 Ca 0.08 -0.02 -0.29 0.00 3.53 0.00 0.00 57.97 61.27 1mh6 h PHE 20 Cb 0.69 0.31 0.02 0.00 2.79 0.00 0.00 35.95 39.75 1mh6 h PHE 20 CO 0.00 -0.56 -1.29 1.88 -2.23 0.00 0.00 178.31 176.11 1mh6 h TYR 21 N -1.21 0.68 -0.71 0.41 0.05 -1.28 -3.39 116.97 111.51 1mh6 h TYR 21 Ca -0.10 -0.48 0.07 0.00 0.05 0.00 0.00 58.73 58.27 1mh6 h TYR 21 Cb 0.78 -0.03 -0.09 0.00 1.01 0.00 0.00 36.73 38.40 1mh6 h TYR 21 CO -0.00 1.36 -0.41 -1.91 -1.05 0.00 0.00 178.16 176.16 1mh6 n GLU 22 N -3.62 -0.30 0.06 4.88 0.00 -0.27 -1.81 120.64 119.58 1mh6 n GLU 22 Ca -0.11 1.08 0.19 0.00 0.00 0.00 0.00 57.16 58.32 1mh6 n GLU 22 Cb 1.03 -1.59 0.72 0.00 0.00 0.00 0.00 31.44 31.60 1mh6 n GLU 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1mh6 h ARG 23 N 0.00 0.00 -0.18 5.31 3.08 -1.79 -0.69 114.38 120.10 1mh6 h ARG 23 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1mh6 h ARG 23 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1mh6 h ARG 23 CO -0.67 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.51 1mh6 n LEU 24 N -4.20 0.18 0.00 3.04 4.77 -0.75 -4.89 117.00 115.15 1mh6 n LEU 24 Ca 0.07 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1mh6 n LEU 24 Cb 0.54 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1mh6 n LEU 24 CO 0.34 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1mh6 n GLY 25 N 0.16 0.42 3.38 -0.72 0.00 -0.29 -5.00 105.19 103.15 1mh6 n GLY 25 Ca 0.00 -0.93 -0.45 0.00 0.00 0.00 0.00 46.02 44.65 1mh6 n GLY 25 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mh6 s PHE 26 N -2.00 3.22 0.16 1.61 0.40 -1.10 -3.96 117.98 116.32 1mh6 s PHE 26 Ca 0.00 -0.93 -0.30 0.00 -0.60 0.00 0.00 56.93 55.10 1mh6 s PHE 26 Cb 0.00 -3.31 -0.08 0.00 0.51 0.00 0.00 43.02 40.14 1mh6 s PHE 26 CO 0.00 -0.86 1.26 0.20 0.70 0.00 0.00 175.22 176.52 1mh6 s GLY 27 N 2.76 2.47 -1.08 4.36 0.00 -0.47 -4.15 107.32 111.21 1mh6 s GLY 27 Ca 0.05 1.01 -0.21 0.00 0.00 0.00 0.00 44.72 45.58 1mh6 s GLY 27 CO 0.07 2.02 1.48 -0.42 0.00 0.00 0.00 173.10 176.25 1mh6 s ILE 28 N 0.30 4.09 0.03 0.90 1.01 -1.26 -1.74 121.20 124.54 1mh6 s ILE 28 Ca 0.56 -1.19 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1mh6 s ILE 28 Cb -0.34 -5.06 -0.25 0.00 0.01 0.00 0.00 42.46 36.82 1mh6 s ILE 28 CO 0.35 -1.90 0.96 -0.37 0.00 0.00 0.00 174.94 173.98 1mh6 h VAL 29 N 6.33 1.28 -3.98 2.92 -1.51 -1.84 -3.46 116.25 116.00 1mh6 h VAL 29 Ca 0.26 -2.98 -0.41 0.00 -1.23 0.00 0.00 66.70 62.33 1mh6 h VAL 29 Cb 0.97 2.73 -0.29 0.00 -2.13 0.00 0.00 31.29 32.56 1mh6 h VAL 29 CO 1.40 0.80 -0.79 0.12 -1.23 0.00 0.00 177.57 177.87 1mh6 s PHE 30 N -2.64 0.90 -0.17 5.19 5.36 -1.25 -5.00 117.98 120.36 1mh6 s PHE 30 Ca -0.05 -0.19 -0.08 0.00 -0.96 0.00 0.00 56.93 55.65 1mh6 s PHE 30 Cb 0.08 -0.61 0.07 0.00 -0.34 0.00 0.00 43.02 42.22 1mh6 s PHE 30 CO 0.84 -0.04 0.40 0.50 -1.46 0.00 0.00 175.22 175.46 1mh6 s ARG 31 N -0.08 0.35 0.00 10.12 3.52 -1.26 -1.30 118.95 130.30 1mh6 s ARG 31 Ca 0.01 0.86 0.00 0.00 -0.13 0.00 0.00 55.73 56.47 1mh6 s ARG 31 Cb -0.05 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.42 1mh6 s ARG 31 CO -0.00 -0.19 0.00 -0.40 -0.81 0.00 0.00 175.30 173.90 1mh6 n ASP 32 N 4.66 0.00 0.01 -2.12 5.75 -0.93 -5.04 116.55 118.88 1mh6 n ASP 32 Ca -0.18 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.45 1mh6 n ASP 32 Cb 0.53 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.48 1mh6 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mh6 h ALA 33 N 0.21 0.52 0.10 2.12 0.00 -2.02 -3.44 119.26 116.74 1mh6 h ALA 33 Ca 0.00 -1.33 -0.32 0.00 0.00 0.00 0.00 54.91 53.25 1mh6 h ALA 33 Cb 0.00 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1mh6 h ALA 33 CO 0.00 1.37 -1.73 0.78 0.00 0.00 0.00 179.25 179.67 1mh6 h GLY 34 N 2.23 0.24 -4.50 0.00 0.00 -1.97 -3.42 103.07 95.65 1mh6 h GLY 34 Ca -0.31 -0.62 -0.63 0.00 0.00 0.00 0.00 47.33 45.77 1mh6 h GLY 34 CO 0.11 0.54 -0.86 0.86 0.00 0.00 0.00 176.54 177.18 1mh6 s TRP 35 N -2.59 2.04 -0.21 5.60 -0.11 -1.26 -2.36 118.94 120.04 1mh6 s TRP 35 Ca -0.13 -0.39 -0.04 0.00 1.22 0.00 0.00 56.10 56.77 1mh6 s TRP 35 Cb 0.07 -1.24 0.09 0.00 -1.50 0.00 0.00 33.47 30.89 1mh6 s TRP 35 CO 0.82 0.07 0.21 1.41 -4.62 0.00 0.00 176.95 174.84 1mh6 s MET 36 N -1.03 0.19 -0.36 5.86 -2.45 -0.54 -2.20 119.30 118.77 1mh6 s MET 36 Ca 0.09 0.09 -0.18 0.00 -1.25 0.00 0.00 55.69 54.45 1mh6 s MET 36 Cb -0.09 -1.23 -0.00 0.00 1.25 0.00 0.00 34.83 34.75 1mh6 s MET 36 CO 0.01 -0.72 0.49 0.42 1.05 0.00 0.00 175.02 176.27 1mh6 s ILE 37 N 2.29 5.04 -0.26 10.11 1.01 -0.42 -1.00 121.20 137.97 1mh6 s ILE 37 Ca 0.07 0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.86 1mh6 s ILE 37 Cb -0.16 -3.97 -0.00 0.00 0.01 0.00 0.00 42.46 38.35 1mh6 s ILE 37 CO -0.15 -0.25 0.03 -0.76 0.00 0.00 0.00 174.94 173.81 1mh6 s LEU 38 N 2.33 3.44 -0.16 2.97 1.43 -0.71 -2.30 118.68 125.69 1mh6 s LEU 38 Ca 0.17 -0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 1mh6 s LEU 38 Cb -0.16 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.28 1mh6 s LEU 38 CO 0.13 -0.11 0.01 -1.58 0.23 0.00 0.00 176.35 175.04 1mh6 s GLN 39 N 1.50 0.78 -0.91 1.70 0.74 -0.71 -1.27 119.66 121.50 1mh6 s GLN 39 Ca 0.04 -0.30 -0.14 0.00 0.05 0.00 0.00 55.36 55.01 1mh6 s GLN 39 Cb -0.16 -1.79 0.22 0.00 1.10 0.00 0.00 33.01 32.38 1mh6 s GLN 39 CO 0.00 -0.51 0.90 0.50 -0.55 0.00 0.00 175.29 175.63 1mh6 s ARG 40 N 1.85 3.73 3.89 1.67 3.52 -1.23 -1.37 118.95 131.00 1mh6 s ARG 40 Ca 0.01 -2.50 0.00 0.00 -0.13 0.00 0.00 55.73 53.11 1mh6 s ARG 40 Cb -0.15 -4.54 0.00 0.00 -1.56 0.00 0.00 34.95 28.69 1mh6 s ARG 40 CO -0.07 -1.37 0.00 0.41 -0.81 0.00 0.00 175.30 173.46 1mh6 n GLY 41 N 3.98 1.89 0.82 8.12 0.00 -1.26 -2.09 105.19 116.64 1mh6 n GLY 41 Ca 0.18 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1mh6 n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mh6 n ASP 42 N 7.04 2.10 -3.54 1.61 8.00 -1.26 -4.91 116.55 125.59 1mh6 n ASP 42 Ca 0.00 -3.88 -0.39 0.00 0.71 0.00 0.00 54.79 51.23 1mh6 n ASP 42 Cb 0.00 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.53 1mh6 n ASP 42 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1mh6 n LEU 43 N -1.10 6.56 -4.49 0.64 4.77 -0.89 -4.93 117.00 117.56 1mh6 n LEU 43 Ca 0.24 -3.80 -0.43 0.00 -0.03 0.00 0.00 56.01 51.99 1mh6 n LEU 43 Cb 0.79 -1.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.38 1mh6 n LEU 43 CO 0.04 1.00 1.06 -0.32 -1.33 0.00 0.00 177.39 177.84 1mh6 s MET 44 N 3.33 3.43 -0.58 3.23 1.75 -1.26 -3.56 119.30 125.64 1mh6 s MET 44 Ca 0.54 -1.23 -0.20 0.00 -1.25 0.00 0.00 55.69 53.55 1mh6 s MET 44 Cb 0.15 -4.77 0.08 0.00 2.84 0.00 0.00 34.83 33.12 1mh6 s MET 44 CO -0.04 -1.92 0.75 -0.51 -0.65 0.00 0.00 175.02 172.65 1mh6 s LEU 45 N 3.87 5.01 -1.13 4.11 1.43 -0.40 -3.96 118.68 127.61 1mh6 s LEU 45 Ca 0.33 -1.15 -0.09 0.00 -1.03 0.00 0.00 54.13 52.18 1mh6 s LEU 45 Cb -0.07 -2.39 0.27 0.00 0.03 0.00 0.00 46.19 44.03 1mh6 s LEU 45 CO -0.02 -1.13 1.16 -0.62 0.23 0.00 0.00 176.35 175.97 1mh6 n GLU 46 N 6.63 3.54 -2.43 1.70 1.02 -0.78 -1.74 120.64 128.59 1mh6 n GLU 46 Ca -0.07 -4.39 -0.42 0.00 -0.02 0.00 0.00 57.16 52.26 1mh6 n GLU 46 Cb 0.44 -2.60 -0.03 0.00 -0.02 0.00 0.00 31.44 29.22 1mh6 n GLU 46 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1mh6 s PHE 47 N -1.00 3.46 0.03 -0.32 0.08 -0.17 -3.40 117.98 116.65 1mh6 s PHE 47 Ca 0.32 1.36 -0.06 0.00 0.12 0.00 0.00 56.93 58.66 1mh6 s PHE 47 Cb -0.09 -3.40 -0.05 0.00 -0.57 0.00 0.00 43.02 38.91 1mh6 s PHE 47 CO -0.07 -1.18 0.29 -0.59 -0.10 0.00 0.00 175.22 173.57 1mh6 s PHE 48 N 0.74 3.57 -0.65 0.36 -0.12 -0.17 -1.46 117.98 120.24 1mh6 s PHE 48 Ca 0.57 0.58 -0.27 0.00 -0.05 0.00 0.00 56.93 57.76 1mh6 s PHE 48 Cb -0.30 -2.00 -0.01 0.00 -0.63 0.00 0.00 43.02 40.08 1mh6 s PHE 48 CO 0.31 0.59 1.70 0.00 -0.05 0.00 0.00 175.22 177.77 1mh6 s ALA 49 N -1.35 2.32 -0.58 1.99 0.00 -0.99 -1.65 121.76 121.50 1mh6 s ALA 49 Ca 0.30 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.39 1mh6 s ALA 49 Cb -0.13 -4.30 0.15 0.00 0.00 0.00 0.00 23.12 18.84 1mh6 s ALA 49 CO 0.18 -3.75 0.36 -1.58 0.00 0.00 0.00 175.76 170.97 1mh6 s HIS 50 N 8.18 3.34 0.25 0.00 2.46 -0.36 -4.94 115.29 124.22 1mh6 s HIS 50 Ca 0.58 -2.89 0.00 0.00 0.47 0.00 0.00 55.06 53.22 1mh6 s HIS 50 Cb -0.11 -3.05 0.30 0.00 -0.13 0.00 0.00 32.58 29.59 1mh6 s HIS 50 CO 0.19 -0.81 1.66 -1.00 -2.47 0.00 0.00 174.74 172.31 1mh6 h PRO 51 N 6.86 0.55 -3.04 2.88 0.13 -1.82 -3.29 132.00 134.27 1mh6 h PRO 51 Ca -0.04 -0.24 -0.75 0.00 -0.87 0.00 0.00 66.00 64.10 1mh6 h PRO 51 Cb 0.93 -0.02 -0.14 0.00 0.13 0.00 0.00 31.00 31.91 1mh6 h PRO 51 CO 0.70 0.79 2.22 0.41 -0.23 0.00 0.00 178.00 181.90 1mh6 n GLY 52 N -0.22 5.00 3.31 1.56 0.00 -1.26 -4.92 105.19 108.66 1mh6 n GLY 52 Ca -0.01 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 1mh6 n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mh6 s LEU 53 N -1.18 2.42 -0.11 0.99 2.96 -1.26 -5.13 118.68 117.38 1mh6 s LEU 53 Ca 0.47 -0.42 -0.22 0.00 -0.22 0.00 0.00 54.13 53.74 1mh6 s LEU 53 Cb 0.14 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 1mh6 s LEU 53 CO -0.04 0.19 0.64 -0.62 -1.32 0.00 0.00 176.35 175.19 1mh6 s ASP 54 N 0.20 6.85 0.48 3.68 2.15 -1.26 -5.02 116.67 123.76 1mh6 s ASP 54 Ca -0.11 1.03 0.13 0.00 0.43 0.00 0.00 52.55 54.02 1mh6 s ASP 54 Cb -0.16 -2.37 1.12 0.00 -0.30 0.00 0.00 42.92 41.21 1mh6 s ASP 54 CO 0.06 -0.13 2.11 -0.65 -0.17 0.00 0.00 175.17 176.40 1mh6 h PRO 55 N 6.91 0.17 -0.03 4.34 0.11 -1.84 -3.36 132.00 138.30 1mh6 h PRO 55 Ca -0.39 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.66 1mh6 h PRO 55 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1mh6 h PRO 55 CO 0.76 0.13 -0.18 -0.07 -0.21 0.00 0.00 178.00 178.43 1mh6 h LEU 56 N 0.18 0.21 -3.13 2.35 3.38 -1.94 -3.33 115.31 113.04 1mh6 h LEU 56 Ca 0.05 -0.67 -0.11 0.00 0.09 0.00 0.00 57.88 57.24 1mh6 h LEU 56 Cb -0.00 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1mh6 h LEU 56 CO -0.01 0.85 0.14 0.00 0.09 0.00 0.00 178.44 179.51 1mh6 n ALA 57 N -2.48 4.32 -3.19 1.53 0.00 -1.26 -4.94 120.51 114.49 1mh6 n ALA 57 Ca -0.09 -0.55 -0.45 0.00 0.00 0.00 0.00 53.44 52.35 1mh6 n ALA 57 Cb 0.43 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 1mh6 n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mh6 s SER 58 N 1.36 6.12 0.00 0.00 0.15 -1.25 -4.93 113.70 115.15 1mh6 s SER 58 Ca 0.10 -1.64 0.17 0.00 0.70 0.00 0.00 55.95 55.28 1mh6 s SER 58 Cb 0.08 -2.18 0.76 0.00 -1.71 0.00 0.00 66.02 62.97 1mh6 s SER 58 CO -0.00 -0.77 1.53 0.79 1.20 0.00 0.00 173.24 175.99 1mh6 n TRP 59 N 5.20 0.00 -2.33 3.44 7.02 -1.26 -4.80 117.44 124.70 1mh6 n TRP 59 Ca -0.13 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 55.94 1mh6 n TRP 59 Cb 0.41 -0.43 -0.03 0.00 -2.42 0.00 0.00 31.31 28.84 1mh6 n TRP 59 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1mh6 s PHE 60 N -2.87 3.38 -0.08 -5.99 0.08 -1.26 -4.91 117.98 106.33 1mh6 s PHE 60 Ca 0.11 1.32 -0.30 0.00 0.12 0.00 0.00 56.93 58.18 1mh6 s PHE 60 Cb 0.11 -3.48 0.09 0.00 -0.57 0.00 0.00 43.02 39.17 1mh6 s PHE 60 CO 0.29 -1.45 0.81 -1.54 -0.10 0.00 0.00 175.22 173.23 1mh6 s SER 61 N 0.41 -0.53 -0.05 1.36 1.04 -1.26 -1.56 113.70 113.11 1mh6 s SER 61 Ca 0.56 0.54 -0.12 0.00 0.48 0.00 0.00 55.95 57.40 1mh6 s SER 61 Cb -0.33 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.25 1mh6 s SER 61 CO 0.35 -0.52 0.29 0.00 0.98 0.00 0.00 173.24 174.34 1mh6 s LEU 64 N 4.09 3.19 -0.55 0.00 1.43 -0.79 -4.93 118.68 121.12 1mh6 s LEU 64 Ca 0.39 -0.26 -0.23 0.00 -1.03 0.00 0.00 54.13 53.00 1mh6 s LEU 64 Cb -0.10 -2.57 0.05 0.00 0.03 0.00 0.00 46.19 43.61 1mh6 s LEU 64 CO 0.26 -1.95 0.85 -0.13 0.23 0.00 0.00 176.35 175.61 1mh6 s ARG 65 N 6.01 3.25 -0.07 1.70 0.52 -1.26 -1.50 118.95 127.61 1mh6 s ARG 65 Ca 0.42 -0.50 -0.04 0.00 -0.52 0.00 0.00 55.73 55.09 1mh6 s ARG 65 Cb -0.09 -4.08 -0.04 0.00 0.52 0.00 0.00 34.95 31.26 1mh6 s ARG 65 CO 0.16 -1.44 0.10 -0.51 0.02 0.00 0.00 175.30 173.63 1mh6 s LEU 66 N 3.57 4.08 0.13 2.53 1.43 -0.22 -4.87 118.68 125.33 1mh6 s LEU 66 Ca 0.25 0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 53.60 1mh6 s LEU 66 Cb -0.15 -2.14 -0.10 0.00 0.03 0.00 0.00 46.19 43.83 1mh6 s LEU 66 CO 0.16 0.35 1.30 0.44 0.23 0.00 0.00 176.35 178.82 1mh6 h ASP 67 N 4.64 0.55 -3.50 2.29 3.32 -1.94 -2.29 116.42 119.48 1mh6 h ASP 67 Ca -0.52 -0.44 -0.67 0.00 0.02 0.00 0.00 57.03 55.42 1mh6 h ASP 67 Cb 1.20 -0.17 -0.30 0.00 0.22 0.00 0.00 39.33 40.28 1mh6 h ASP 67 CO 0.60 1.24 -0.72 -0.62 -1.72 0.00 0.00 179.24 178.02 1mh6 s ASP 68 N -7.09 4.47 0.19 6.45 2.15 -1.26 -4.79 116.67 116.79 1mh6 s ASP 68 Ca -0.06 -0.75 -0.12 0.00 0.43 0.00 0.00 52.55 52.05 1mh6 s ASP 68 Cb 0.09 -1.72 0.15 0.00 -0.30 0.00 0.00 42.92 41.14 1mh6 s ASP 68 CO 0.87 -0.12 1.82 0.25 -0.17 0.00 0.00 175.17 177.82 1mh6 h LEU 69 N 8.08 0.55 -1.76 -1.34 5.85 -1.87 -3.18 115.31 121.64 1mh6 h LEU 69 Ca -0.34 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 1mh6 h LEU 69 Cb 1.12 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 1mh6 h LEU 69 CO 0.59 0.38 -0.16 0.00 -0.34 0.00 0.00 178.44 178.90 1mh6 h ALA 70 N 1.27 1.51 -0.27 1.25 0.00 -1.98 -3.14 119.26 117.91 1mh6 h ALA 70 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1mh6 h ALA 70 Cb 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1mh6 h ALA 70 CO -0.12 0.20 0.17 1.49 0.00 0.00 0.00 179.25 180.99 1mh6 h GLU 71 N 0.00 0.36 -0.95 0.00 4.57 -1.99 0.17 114.58 116.75 1mh6 h GLU 71 Ca -0.00 -0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.28 1mh6 h GLU 71 Cb 0.33 -0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 28.77 1mh6 h GLU 71 CO 0.02 0.27 0.60 0.35 -1.18 0.00 0.00 179.01 179.07 1mh6 h PHE 72 N 0.35 1.00 -0.14 0.92 3.04 -1.67 -1.48 116.94 118.96 1mh6 h PHE 72 Ca 0.10 0.03 -0.21 0.00 3.98 0.00 0.00 57.97 61.87 1mh6 h PHE 72 Cb -0.01 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.19 1mh6 h PHE 72 CO -0.05 0.39 -0.74 -0.92 -2.02 0.00 0.00 178.31 174.97 1mh6 h TYR 73 N 0.86 0.89 -0.52 0.41 3.20 -1.43 -1.68 116.97 118.70 1mh6 h TYR 73 Ca 0.47 -0.39 0.10 0.00 3.14 0.00 0.00 58.73 62.05 1mh6 h TYR 73 Cb 0.58 -0.14 -0.11 0.00 1.54 0.00 0.00 36.73 38.60 1mh6 h TYR 73 CO -0.00 1.19 -0.32 0.00 -1.64 0.00 0.00 178.16 177.39 1mh6 h ARG 74 N 0.46 -0.17 -0.17 1.82 -0.00 -0.62 -3.07 114.38 112.62 1mh6 h ARG 74 Ca -0.04 0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.44 1mh6 h ARG 74 Cb 1.35 0.04 -0.01 0.00 0.00 0.00 0.00 29.97 31.35 1mh6 h ARG 74 CO 0.14 -0.12 0.07 0.37 0.00 0.00 0.00 179.97 180.44 1mh6 h GLN 75 N -0.18 0.26 -0.42 0.04 4.15 -1.26 -2.68 115.11 115.03 1mh6 h GLN 75 Ca 0.22 -0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.67 1mh6 h GLN 75 Cb 0.54 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.12 1mh6 h GLN 75 CO -0.63 0.33 0.01 0.00 -1.93 0.00 0.00 178.83 176.61 1mh6 h LYS 77 N 0.11 0.00 -0.05 0.00 1.57 -1.59 -2.58 116.57 114.04 1mh6 h LYS 77 Ca 0.20 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1mh6 h LYS 77 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1mh6 h LYS 77 CO -0.34 0.39 -0.15 0.66 -0.57 0.00 0.00 179.45 179.45 1mh6 h SER 78 N 0.00 0.22 1.87 0.86 4.64 -1.36 -3.40 113.55 116.38 1mh6 h SER 78 Ca -0.00 -0.61 -0.02 0.00 -0.47 0.00 0.00 61.79 60.68 1mh6 h SER 78 Cb 0.85 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1mh6 h SER 78 CO 0.05 0.79 -0.11 -0.37 -0.87 0.00 0.00 176.83 176.32 1mh6 h VAL 79 N -0.34 0.19 0.00 0.95 -1.51 -1.39 -3.49 116.25 110.66 1mh6 h VAL 79 Ca -0.00 -1.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.21 1mh6 h VAL 79 Cb 0.77 2.08 0.00 0.00 -2.13 0.00 0.00 31.29 32.01 1mh6 h VAL 79 CO 0.03 0.11 0.00 0.61 -1.23 0.00 0.00 177.57 177.09 1mh6 n GLY 80 N 1.10 0.82 2.76 5.19 0.00 -1.05 -5.10 105.19 108.90 1mh6 n GLY 80 Ca 0.03 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.28 1mh6 n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mh6 s ILE 81 N -0.05 -0.18 0.14 -0.61 1.01 -1.00 -5.04 121.20 115.47 1mh6 s ILE 81 Ca 0.00 0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 1mh6 s ILE 81 Cb 0.00 -0.22 -0.07 0.00 0.01 0.00 0.00 42.46 42.19 1mh6 s ILE 81 CO 0.00 0.16 1.04 0.00 0.00 0.00 0.00 174.94 176.14 1mh6 s GLN 82 N 2.17 4.63 -0.63 2.79 -2.07 -1.26 -4.59 119.66 120.69 1mh6 s GLN 82 Ca 0.03 1.60 -0.23 0.00 -1.82 0.00 0.00 55.36 54.94 1mh6 s GLN 82 Cb -0.12 -3.33 0.06 0.00 -1.09 0.00 0.00 33.01 28.53 1mh6 s GLN 82 CO -0.04 0.11 0.99 -2.00 -1.32 0.00 0.00 175.29 173.02 1mh6 s GLU 83 N -0.07 3.18 -0.07 9.60 2.12 -1.26 -1.80 118.70 130.40 1mh6 s GLU 83 Ca 0.49 -0.61 -0.15 0.00 0.36 0.00 0.00 54.97 55.07 1mh6 s GLU 83 Cb -0.27 -4.17 0.03 0.00 0.26 0.00 0.00 34.13 29.99 1mh6 s GLU 83 CO 0.32 -1.75 0.35 -0.08 -0.54 0.00 0.00 175.26 173.57 1mh6 s THR 84 N 4.19 0.03 0.00 -1.70 -1.32 -1.25 -4.99 115.64 110.60 1mh6 s THR 84 Ca 0.26 -0.24 -0.08 0.00 -1.21 0.00 0.00 61.69 60.41 1mh6 s THR 84 Cb -0.15 -0.59 -0.05 0.00 -1.51 0.00 0.00 72.50 70.21 1mh6 s THR 84 CO 0.13 -0.13 0.78 0.77 -2.21 0.00 0.00 174.62 173.96 1mh6 h SER 85 N 4.58 -0.26 -3.85 8.08 4.64 -1.94 -3.45 113.55 121.35 1mh6 h SER 85 Ca -0.28 0.01 -0.49 0.00 -0.47 0.00 0.00 61.79 60.55 1mh6 h SER 85 Cb 1.18 0.07 0.05 0.00 -0.31 0.00 0.00 62.40 63.38 1mh6 h SER 85 CO 0.34 -0.13 0.22 -0.55 -0.87 0.00 0.00 176.83 175.85 1mh6 s SER 86 N -3.07 6.11 0.00 4.97 0.15 -1.26 -5.05 113.70 115.54 1mh6 s SER 86 Ca -0.04 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1mh6 s SER 86 Cb 0.00 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1mh6 s SER 86 CO 0.13 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.41 1mh6 n GLY 87 N -2.49 1.79 3.16 9.45 0.00 -1.26 -5.05 105.19 110.79 1mh6 n GLY 87 Ca 0.03 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 1mh6 n GLY 87 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mh6 s TYR 88 N -2.47 -0.32 0.58 1.61 -0.85 -1.26 -4.53 117.35 110.11 1mh6 s TYR 88 Ca 0.00 0.77 -0.16 0.00 -0.52 0.00 0.00 57.07 57.16 1mh6 s TYR 88 Cb 0.00 0.10 -0.05 0.00 0.38 0.00 0.00 41.96 42.40 1mh6 s TYR 88 CO 0.00 -0.16 1.04 -1.25 -1.52 0.00 0.00 175.55 173.66 1mh6 s PRO 89 N 0.30 3.47 0.20 -3.49 0.04 -1.26 -4.90 135.00 129.36 1mh6 s PRO 89 Ca -0.01 1.14 -0.15 0.00 0.04 0.00 0.00 61.00 62.02 1mh6 s PRO 89 Cb -0.03 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1mh6 s PRO 89 CO -0.01 -0.69 0.48 -0.98 0.04 0.00 0.00 177.00 175.84 1mh6 s ARG 90 N -4.09 1.39 -0.04 4.56 1.70 -0.01 -4.28 118.95 118.17 1mh6 s ARG 90 Ca 0.62 -1.01 0.03 0.00 -0.47 0.00 0.00 55.73 54.91 1mh6 s ARG 90 Cb -0.15 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 1mh6 s ARG 90 CO 0.36 -0.58 -0.14 0.96 -1.08 0.00 0.00 175.30 174.82 1mh6 s ILE 91 N -3.92 1.19 0.18 4.99 -4.36 -0.75 -1.37 121.20 117.16 1mh6 s ILE 91 Ca 0.13 -0.57 0.07 0.00 -0.26 0.00 0.00 60.65 60.02 1mh6 s ILE 91 Cb -0.00 -1.04 -0.04 0.00 1.25 0.00 0.00 42.46 42.62 1mh6 s ILE 91 CO 0.01 0.35 0.03 -1.00 0.24 0.00 0.00 174.94 174.57 1mh6 s HIS 92 N 0.18 2.90 0.73 1.37 3.76 -0.15 -3.77 115.29 120.30 1mh6 s HIS 92 Ca -0.05 -0.12 -0.11 0.00 -0.15 0.00 0.00 55.06 54.63 1mh6 s HIS 92 Cb -0.11 -1.39 0.04 0.00 1.11 0.00 0.00 32.58 32.23 1mh6 s HIS 92 CO 0.02 0.53 1.10 0.00 -0.85 0.00 0.00 174.74 175.54 1mh6 s ALA 93 N -1.79 2.86 -1.00 -1.40 0.00 -1.26 -2.34 121.76 116.83 1mh6 s ALA 93 Ca 0.28 -0.51 -0.25 0.00 0.00 0.00 0.00 51.96 51.48 1mh6 s ALA 93 Cb -0.09 -2.94 -0.14 0.00 0.00 0.00 0.00 23.12 19.95 1mh6 s ALA 93 CO 0.20 -1.30 2.12 -2.14 0.00 0.00 0.00 175.76 174.63 1mh6 s PRO 94 N -5.40 1.84 0.22 0.00 0.02 -1.26 -3.91 135.00 126.51 1mh6 s PRO 94 Ca 0.59 -0.35 0.06 0.00 0.02 0.00 0.00 61.00 61.32 1mh6 s PRO 94 Cb -0.11 -5.01 -0.04 0.00 0.02 0.00 0.00 34.50 29.37 1mh6 s PRO 94 CO 0.50 -4.51 0.21 -1.21 -0.33 0.00 0.00 177.00 171.66 1mh6 s GLU 95 N 7.84 3.02 0.06 5.54 2.02 -1.13 -4.83 118.70 131.22 1mh6 s GLU 95 Ca 0.79 -0.94 -0.24 0.00 0.02 0.00 0.00 54.97 54.60 1mh6 s GLU 95 Cb -0.06 -2.65 -0.06 0.00 0.10 0.00 0.00 34.13 31.46 1mh6 s GLU 95 CO 0.11 0.43 0.73 -0.51 0.02 0.00 0.00 175.26 176.04 1mh6 s LEU 96 N -3.64 4.47 0.19 1.80 1.43 -1.26 -1.59 118.68 120.08 1mh6 s LEU 96 Ca 0.33 1.42 0.08 0.00 -1.03 0.00 0.00 54.13 54.93 1mh6 s LEU 96 Cb -0.09 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 1mh6 s LEU 96 CO 0.25 0.07 -0.16 -1.10 0.23 0.00 0.00 176.35 175.64 1mh6 s GLN 97 N -0.28 1.31 -1.49 1.70 -1.52 -1.08 -4.96 119.66 113.34 1mh6 s GLN 97 Ca 0.36 -1.52 -0.11 0.00 -1.95 0.00 0.00 55.36 52.14 1mh6 s GLN 97 Cb -0.20 -1.21 -0.05 0.00 -0.22 0.00 0.00 33.01 31.33 1mh6 s GLN 97 CO 0.22 0.22 2.62 0.39 -0.25 0.00 0.00 175.29 178.50 1mh6 n GLU 98 N -0.13 3.22 0.00 2.91 4.71 -1.26 -4.01 120.64 126.09 1mh6 n GLU 98 Ca -0.10 -2.26 0.00 0.00 -0.01 0.00 0.00 57.16 54.79 1mh6 n GLU 98 Cb 0.59 -2.94 0.00 0.00 -1.01 0.00 0.00 31.44 28.08 1mh6 n GLU 98 CO 0.00 0.00 0.00 -2.67 0.09 0.00 0.00 177.13 174.55 1mh6 n TRP 99 N 4.61 -0.84 0.01 -0.32 4.27 -1.26 -5.11 117.44 118.79 1mh6 n TRP 99 Ca 0.66 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 54.27 1mh6 n TRP 99 Cb 0.28 0.23 0.00 0.00 -1.36 0.00 0.00 31.31 30.46 1mh6 n TRP 99 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1mh6 n GLY 100 N -0.74 -1.85 0.00 -1.67 0.00 -1.26 -5.15 105.19 94.53 1mh6 n GLY 100 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1mh6 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mh6 n GLY 101 N -1.30 1.22 3.14 -0.02 0.00 -1.26 -4.95 105.19 102.02 1mh6 n GLY 101 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1mh6 n GLY 101 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1mh6 s THR 102 N 1.73 0.04 -0.07 2.61 -1.32 -1.26 -2.64 115.64 114.73 1mh6 s THR 102 Ca 0.00 -0.31 -0.03 0.00 -1.21 0.00 0.00 61.69 60.14 1mh6 s THR 102 Cb 0.00 -0.42 0.04 0.00 -1.51 0.00 0.00 72.50 70.61 1mh6 s THR 102 CO 0.00 -0.17 0.16 -0.32 -2.21 0.00 0.00 174.62 172.07 1mh6 s MET 103 N -0.64 0.08 0.63 7.08 0.00 -0.62 -2.45 119.30 123.39 1mh6 s MET 103 Ca -0.07 0.43 -0.00 0.00 0.00 0.00 0.00 55.69 56.04 1mh6 s MET 103 Cb -0.04 -0.20 0.07 0.00 0.00 0.00 0.00 34.83 34.66 1mh6 s MET 103 CO 0.02 -0.20 0.88 0.00 0.00 0.00 0.00 175.02 175.72 1mh6 s ALA 104 N 1.45 3.75 -0.16 4.11 0.00 -0.54 -2.82 121.76 127.54 1mh6 s ALA 104 Ca -0.06 -1.43 -0.04 0.00 0.00 0.00 0.00 51.96 50.43 1mh6 s ALA 104 Cb -0.12 -2.11 0.06 0.00 0.00 0.00 0.00 23.12 20.95 1mh6 s ALA 104 CO -0.06 -1.07 0.06 0.00 0.00 0.00 0.00 175.76 174.69 1mh6 s ALA 105 N -2.96 0.61 0.02 0.00 0.00 -0.99 -0.64 121.76 117.80 1mh6 s ALA 105 Ca 0.61 -0.39 -0.26 0.00 0.00 0.00 0.00 51.96 51.92 1mh6 s ALA 105 Cb -0.09 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 1mh6 s ALA 105 CO 0.41 -1.08 0.81 -1.17 0.00 0.00 0.00 175.76 174.73 1mh6 s LEU 106 N 2.04 4.41 -0.24 0.00 2.96 -0.62 -0.98 118.68 126.25 1mh6 s LEU 106 Ca 0.01 1.47 0.02 0.00 -0.22 0.00 0.00 54.13 55.41 1mh6 s LEU 106 Cb -0.16 -3.30 0.04 0.00 0.50 0.00 0.00 46.19 43.27 1mh6 s LEU 106 CO -0.08 -0.08 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.06 1mh6 s VAL 107 N 0.37 2.26 0.81 1.68 1.01 -0.47 -1.01 120.40 125.04 1mh6 s VAL 107 Ca 0.42 -1.36 -0.14 0.00 0.00 0.00 0.00 61.98 60.90 1mh6 s VAL 107 Cb -0.20 -2.20 0.19 0.00 0.00 0.00 0.00 36.38 34.16 1mh6 s VAL 107 CO 0.24 0.15 1.10 -0.90 0.00 0.00 0.00 175.10 175.68 1mh6 n ASP 108 N 4.52 0.10 -0.02 3.32 5.75 -1.18 -0.83 116.55 128.21 1mh6 n ASP 108 Ca -0.16 -1.41 0.21 0.00 -0.01 0.00 0.00 54.79 53.42 1mh6 n ASP 108 Cb 0.45 -0.84 0.69 0.00 -1.03 0.00 0.00 41.12 40.39 1mh6 n ASP 108 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1mh6 h PRO 109 N 0.00 0.01 -0.78 0.11 0.11 -1.95 -2.71 132.00 126.79 1mh6 h PRO 109 Ca -0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1mh6 h PRO 109 Cb 0.98 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1mh6 h PRO 109 CO 0.25 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 177.80 1mh6 n ASP 110 N -4.37 2.70 -0.37 -2.05 9.92 -1.26 -4.70 116.55 116.42 1mh6 n ASP 110 Ca 0.10 -2.32 -0.05 0.00 -0.53 0.00 0.00 54.79 51.99 1mh6 n ASP 110 Cb 0.63 -0.53 -0.02 0.00 -0.64 0.00 0.00 41.12 40.56 1mh6 n ASP 110 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mh6 n GLY 111 N 0.32 0.72 3.58 0.44 0.00 -1.02 -4.27 105.19 104.96 1mh6 n GLY 111 Ca 0.11 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1mh6 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mh6 s THR 112 N -2.03 4.81 -1.18 2.61 2.01 -1.26 -4.76 115.64 115.84 1mh6 s THR 112 Ca 0.00 0.74 -0.20 0.00 0.31 0.00 0.00 61.69 62.54 1mh6 s THR 112 Cb 0.00 -4.15 0.07 0.00 0.01 0.00 0.00 72.50 68.43 1mh6 s THR 112 CO 0.00 -0.38 1.61 -0.22 -0.69 0.00 0.00 174.62 174.94 1mh6 s LEU 113 N 2.91 3.77 -0.58 4.42 2.96 -0.60 -3.11 118.68 128.44 1mh6 s LEU 113 Ca 0.28 -2.07 -0.27 0.00 -0.22 0.00 0.00 54.13 51.85 1mh6 s LEU 113 Cb -0.14 -2.57 0.03 0.00 0.50 0.00 0.00 46.19 44.02 1mh6 s LEU 113 CO 0.16 -1.29 1.11 -0.76 -1.32 0.00 0.00 176.35 174.26 1mh6 s LEU 114 N 4.41 3.65 -0.56 -0.68 1.02 -0.18 -3.49 118.68 122.85 1mh6 s LEU 114 Ca 0.50 -0.10 -0.26 0.00 0.02 0.00 0.00 54.13 54.29 1mh6 s LEU 114 Cb 0.02 -3.00 0.03 0.00 0.02 0.00 0.00 46.19 43.26 1mh6 s LEU 114 CO 0.00 -1.43 1.07 -0.13 0.02 0.00 0.00 176.35 175.89 1mh6 s ARG 115 N 4.67 3.45 -0.91 1.70 0.52 -0.58 -1.60 118.95 126.20 1mh6 s ARG 115 Ca 0.38 0.05 -0.24 0.00 -0.52 0.00 0.00 55.73 55.40 1mh6 s ARG 115 Cb -0.09 -4.02 0.05 0.00 0.52 0.00 0.00 34.95 31.41 1mh6 s ARG 115 CO 0.22 -1.56 1.35 -0.51 0.02 0.00 0.00 175.30 174.82 1mh6 s LEU 116 N 4.46 3.57 0.06 2.53 1.43 0.18 -1.88 118.68 129.03 1mh6 s LEU 116 Ca 0.38 -1.18 -0.21 0.00 -1.03 0.00 0.00 54.13 52.09 1mh6 s LEU 116 Cb -0.10 -2.55 -0.06 0.00 0.03 0.00 0.00 46.19 43.52 1mh6 s LEU 116 CO 0.23 -1.57 0.61 -0.63 0.23 0.00 0.00 176.35 175.23 1mh6 s ILE 117 N 4.97 4.74 -0.05 -0.59 1.01 -0.56 -1.47 121.20 129.26 1mh6 s ILE 117 Ca 0.40 1.31 -0.30 0.00 0.00 0.00 0.00 60.65 62.07 1mh6 s ILE 117 Cb -0.04 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1mh6 s ILE 117 CO -0.02 0.50 1.23 -1.58 0.00 0.00 0.00 174.94 175.07 1mh6 s GLN 118 N -0.77 4.34 0.56 2.79 2.00 -1.03 -1.05 119.66 126.50 1mh6 s GLN 118 Ca 0.31 1.72 -0.19 0.00 -2.00 0.00 0.00 55.36 55.20 1mh6 s GLN 118 Cb -0.20 -3.56 -0.05 0.00 0.80 0.00 0.00 33.01 30.01 1mh6 s GLN 118 CO 0.20 -0.47 1.13 -0.80 -0.50 0.00 0.00 175.29 174.84 1mh6 s ASN 119 N 1.54 5.62 -1.17 6.67 0.01 -0.86 -4.81 114.94 121.95 1mh6 s ASN 119 Ca 0.57 2.15 -0.06 0.00 -0.71 0.00 0.00 52.86 54.80 1mh6 s ASN 119 Cb -0.26 -2.58 0.25 0.00 0.41 0.00 0.00 41.25 39.07 1mh6 s ASN 119 CO 0.23 -1.28 1.66 -0.62 -1.51 0.00 0.00 177.10 175.57 1mh6 n GLU 120 N -1.48 4.11 0.24 -0.60 4.71 -1.26 -4.90 120.64 121.45 1mh6 n GLU 120 Ca 0.11 -4.10 0.11 0.00 -0.01 0.00 0.00 57.16 53.27 1mh6 n GLU 120 Cb 0.51 -2.69 0.71 0.00 -1.01 0.00 0.00 31.44 28.95 1mh6 n GLU 120 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1mh6 h LEU 121 N 6.51 0.00 -0.93 -4.62 -0.00 -1.95 0.34 115.31 114.65 1mh6 h LEU 121 Ca 0.29 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 58.23 1mh6 h LEU 121 Cb 0.62 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.22 1mh6 h LEU 121 CO 1.47 0.00 0.60 -0.07 -0.00 0.00 0.00 178.44 180.43 1mh6 h LEU 122 N 0.00 0.96 0.00 1.67 3.38 -1.97 -2.43 115.31 116.92 1mh6 h LEU 122 Ca 0.03 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 1mh6 h LEU 122 Cb 0.11 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1mh6 h LEU 122 CO -0.00 0.62 -1.04 0.00 0.09 0.00 0.00 178.44 178.11 1mh6 h ALA 123 N 1.42 0.22 0.00 1.53 0.00 -1.60 -3.30 119.26 117.53 1mh6 h ALA 123 Ca 0.40 -1.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 1mh6 h ALA 123 Cb 0.14 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1mh6 h ALA 123 CO -0.16 0.59 -0.32 0.78 0.00 0.00 0.00 179.25 180.13 1mh6 h GLY 124 N -1.00 0.00 0.00 0.00 0.00 -1.11 -3.36 103.07 97.60 1mh6 h GLY 124 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1mh6 h GLY 124 CO -0.17 0.00 -0.58 1.39 0.00 0.00 0.00 176.54 177.18 1mh6 n ILE 125 N -3.75 0.92 1.70 2.60 5.41 -0.93 -5.03 119.36 120.28 1mh6 n ILE 125 Ca -0.01 0.28 0.15 0.00 1.00 0.00 0.00 62.75 64.17 1mh6 n ILE 125 Cb 0.41 -2.03 0.69 0.00 -0.71 0.00 0.00 39.64 38.01 1mh6 n ILE 125 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01