#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s GLN 2 N 0.00 2.31 -0.15 2.12 1.03 -1.26 -0.58 119.66 123.13 3g6e s GLN 2 Ca 0.00 -0.81 0.01 0.00 0.04 0.00 0.00 55.36 54.60 3g6e s GLN 2 Cb 0.00 -2.22 0.02 0.00 0.03 0.00 0.00 33.01 30.84 3g6e s GLN 2 CO 0.00 0.59 -0.16 0.00 -2.54 0.00 0.00 175.29 173.19 3g6e s ALA 3 N -0.69 1.94 -0.17 2.60 0.00 0.38 -4.75 121.76 121.07 3g6e s ALA 3 Ca 0.11 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.83 3g6e s ALA 3 Cb -0.10 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 3g6e s ALA 3 CO -0.00 -0.32 1.27 0.99 0.00 0.00 0.00 175.76 177.70 3g6e s THR 4 N 1.36 4.26 0.13 0.00 2.01 -1.26 -1.81 115.64 120.33 3g6e s THR 4 Ca 0.03 1.51 -0.26 0.00 0.31 0.00 0.00 61.69 63.28 3g6e s THR 4 Cb -0.13 -4.00 -0.07 0.00 0.01 0.00 0.00 72.50 68.30 3g6e s THR 4 CO -0.10 -0.16 0.81 -0.63 -0.69 0.00 0.00 174.62 173.85 3g6e s ILE 5 N 3.59 4.45 -0.03 1.82 1.01 -0.99 -4.20 121.20 126.85 3g6e s ILE 5 Ca 0.55 1.76 0.07 0.00 0.00 0.00 0.00 60.65 63.03 3g6e s ILE 5 Cb -0.21 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.07 3g6e s ILE 5 CO 0.15 0.46 -0.24 -0.31 0.00 0.00 0.00 174.94 175.00 3g6e s TYR 6 N -0.74 2.40 0.75 3.97 1.51 -0.32 -0.53 117.35 124.39 3g6e s TYR 6 Ca 0.38 -0.45 -0.06 0.00 -1.01 0.00 0.00 57.07 55.93 3g6e s TYR 6 Cb -0.23 -1.54 0.11 0.00 -0.11 0.00 0.00 41.96 40.19 3g6e s TYR 6 CO 0.26 -0.04 1.06 0.16 -1.11 0.00 0.00 175.55 175.88 3g6e s ASP 7 N -0.54 4.34 0.00 2.29 1.47 -0.83 -0.97 116.67 122.43 3g6e s ASP 7 Ca 0.08 0.13 0.01 0.00 1.18 0.00 0.00 52.55 53.94 3g6e s ASP 7 Cb -0.11 -0.59 0.04 0.00 -0.34 0.00 0.00 42.92 41.93 3g6e s ASP 7 CO 0.00 -1.89 0.55 0.18 0.68 0.00 0.00 175.17 174.69 3g6e n LEU 8 N -3.03 0.00 -0.00 2.11 4.77 -1.26 -0.61 117.00 118.98 3g6e n LEU 8 Ca 0.12 0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.17 3g6e n LEU 8 Cb 0.60 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 3g6e n LEU 8 CO 0.47 -0.01 -0.08 0.47 -1.33 0.00 0.00 177.39 176.91 3g6e n ASP 9 N -1.01 0.69 0.00 -1.43 8.00 -1.26 -4.75 116.55 116.78 3g6e n ASP 9 Ca 0.01 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.79 3g6e n ASP 9 Cb 0.00 1.04 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 3g6e n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g6e n GLY 10 N 1.32 0.86 3.73 0.44 0.00 0.22 -4.88 105.19 106.89 3g6e n GLY 10 Ca 0.02 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 3g6e n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g6e s ASN 11 N -2.50 5.31 0.04 1.61 0.01 -1.26 -4.84 114.94 113.31 3g6e s ASN 11 Ca 0.00 -0.07 -0.30 0.00 -0.71 0.00 0.00 52.86 51.78 3g6e s ASN 11 Cb 0.00 -1.37 -0.08 0.00 0.41 0.00 0.00 41.25 40.21 3g6e s ASN 11 CO 0.00 0.18 1.77 0.42 -1.51 0.00 0.00 177.10 177.96 3g6e s THR 12 N -1.33 3.08 -0.50 1.60 -4.23 -1.26 -1.96 115.64 111.04 3g6e s THR 12 Ca 0.27 0.34 0.07 0.00 -1.18 0.00 0.00 61.69 61.19 3g6e s THR 12 Cb -0.12 -3.22 0.36 0.00 1.34 0.00 0.00 72.50 70.87 3g6e s THR 12 CO 0.20 -0.02 0.94 -0.67 -0.54 0.00 0.00 174.62 174.53 3g6e n ASP 13 N 6.52 3.67 0.00 3.99 -0.08 0.31 -4.90 116.55 126.05 3g6e n ASP 13 Ca 0.18 -3.51 0.00 0.00 -1.51 0.00 0.00 54.79 49.95 3g6e n ASP 13 Cb 0.41 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 43.32 3g6e n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3g6e n GLY 14 N -0.18 -1.79 3.62 0.27 0.00 -1.26 -4.70 105.19 101.14 3g6e n GLY 14 Ca 0.30 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 3g6e n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3g6e s GLU 15 N 0.00 0.73 0.20 1.61 -1.05 -1.26 -2.34 118.70 116.60 3g6e s GLU 15 Ca 0.00 0.71 0.11 0.00 -0.15 0.00 0.00 54.97 55.64 3g6e s GLU 15 Cb 0.00 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 3g6e s GLU 15 CO 0.00 -0.12 -0.22 0.08 0.95 0.00 0.00 175.26 175.95 3g6e s VAL 16 N 0.03 2.22 0.05 1.83 1.01 -0.75 -4.95 120.40 119.84 3g6e s VAL 16 Ca -0.00 -2.07 -0.30 0.00 0.00 0.00 0.00 61.98 59.60 3g6e s VAL 16 Cb -0.04 -2.08 -0.08 0.00 0.00 0.00 0.00 36.38 34.18 3g6e s VAL 16 CO -0.00 -0.22 1.68 -1.81 0.00 0.00 0.00 175.10 174.74 3g6e s ASP 17 N -2.82 6.60 -0.20 3.32 1.11 -1.26 -0.47 116.67 122.94 3g6e s ASP 17 Ca 0.21 2.46 -0.29 0.00 0.18 0.00 0.00 52.55 55.11 3g6e s ASP 17 Cb -0.07 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.35 3g6e s ASP 17 CO 0.10 -0.91 1.41 -0.22 1.18 0.00 0.00 175.17 176.74 3g6e s LEU 18 N 3.00 4.04 0.79 1.23 2.96 0.25 -4.82 118.68 126.13 3g6e s LEU 18 Ca 0.75 1.60 -0.15 0.00 -0.22 0.00 0.00 54.13 56.12 3g6e s LEU 18 Cb -0.39 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.77 3g6e s LEU 18 CO 0.33 -1.00 0.68 -0.81 -1.32 0.00 0.00 176.35 174.23 3g6e n PRO 19 N 7.15 0.18 -0.26 0.98 -0.04 -1.26 -3.70 135.00 138.05 3g6e n PRO 19 Ca 0.16 0.11 0.24 0.00 -0.04 0.00 0.00 63.50 63.97 3g6e n PRO 19 Cb 0.45 -2.00 0.58 0.00 -0.04 0.00 0.00 33.50 32.50 3g6e n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3g6e h ASP 20 N -0.70 0.28 0.29 3.54 5.19 -1.94 -2.42 116.42 120.66 3g6e h ASP 20 Ca -0.45 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 3g6e h ASP 20 Cb 1.32 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.82 3g6e h ASP 20 CO 0.42 0.09 0.00 -0.37 -3.12 0.00 0.00 179.24 176.26 3g6e h VAL 21 N 0.27 0.00 -0.02 -1.35 -1.51 -1.91 -1.68 116.25 110.04 3g6e h VAL 21 Ca 0.50 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.83 3g6e h VAL 21 Cb 1.49 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 3g6e h VAL 21 CO -0.15 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.68 3g6e n PHE 22 N -3.00 0.03 -0.51 5.19 3.01 -0.91 -2.56 117.46 118.71 3g6e n PHE 22 Ca -0.02 -0.01 0.06 0.00 1.01 0.00 0.00 57.45 58.49 3g6e n PHE 22 Cb 0.13 0.00 0.14 0.00 -0.01 0.00 0.00 39.48 39.74 3g6e n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3g6e n GLU 23 N -0.62 2.60 -2.58 -1.08 1.02 -0.63 -4.72 120.64 114.63 3g6e n GLU 23 Ca 0.18 -2.21 -0.42 0.00 -0.02 0.00 0.00 57.16 54.69 3g6e n GLU 23 Cb 0.14 -1.39 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 3g6e n GLU 23 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3g6e s THR 24 N -1.83 4.52 0.17 2.62 2.01 -1.06 -4.97 115.64 117.10 3g6e s THR 24 Ca 0.24 1.81 -0.32 0.00 0.31 0.00 0.00 61.69 63.72 3g6e s THR 24 Cb 0.18 -4.16 -0.12 0.00 0.01 0.00 0.00 72.50 68.40 3g6e s THR 24 CO 0.07 0.08 1.72 -0.81 -0.69 0.00 0.00 174.62 174.99 3g6e n PRO 25 N 4.45 2.61 -1.67 4.92 -0.04 -1.26 -4.76 135.00 139.25 3g6e n PRO 25 Ca 0.08 0.94 -0.43 0.00 -0.04 0.00 0.00 63.50 64.06 3g6e n PRO 25 Cb 0.48 -2.78 -0.03 0.00 -0.04 0.00 0.00 33.50 31.13 3g6e n PRO 25 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3g6e n VAL 26 N 4.03 0.60 -3.65 0.52 0.31 -1.26 -4.81 118.33 114.07 3g6e n VAL 26 Ca 0.17 -0.11 -0.28 0.00 -0.01 0.00 0.00 64.34 64.11 3g6e n VAL 26 Cb 0.34 -2.21 -0.11 0.00 -0.91 0.00 0.00 33.84 30.94 3g6e n VAL 26 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3g6e s ARG 27 N 3.74 1.57 0.56 5.55 6.06 -1.26 -4.99 118.95 130.18 3g6e s ARG 27 Ca 0.86 -2.54 0.25 0.00 -2.50 0.00 0.00 55.73 51.80 3g6e s ARG 27 Cb -0.47 -2.37 1.57 0.00 0.06 0.00 0.00 34.95 33.74 3g6e s ARG 27 CO 0.41 -1.30 2.15 0.66 -2.50 0.00 0.00 175.30 174.72 3g6e h SER 28 N 5.81 0.00 0.20 -2.12 4.64 -1.94 -2.30 113.55 117.84 3g6e h SER 28 Ca 0.16 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.30 3g6e h SER 28 Cb 0.86 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3g6e h SER 28 CO 0.52 0.00 -0.68 -2.24 -0.87 0.00 0.00 176.83 173.56 3g6e h ASP 29 N 0.00 0.51 0.72 4.97 2.03 -1.94 -0.75 116.42 121.97 3g6e h ASP 29 Ca 0.05 -0.32 -0.21 0.00 -0.73 0.00 0.00 57.03 55.82 3g6e h ASP 29 Cb 0.25 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 38.58 3g6e h ASP 29 CO -0.00 1.05 -0.95 -0.07 -1.03 0.00 0.00 179.24 178.23 3g6e h LEU 30 N 0.31 0.18 -0.16 0.15 3.38 -1.85 -2.51 115.31 114.82 3g6e h LEU 30 Ca -0.02 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3g6e h LEU 30 Cb 1.25 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 3g6e h LEU 30 CO 0.12 1.03 -0.20 0.40 0.09 0.00 0.00 178.44 179.88 3g6e h ILE 31 N 0.06 1.35 -0.03 1.22 2.04 -1.41 -2.56 117.51 118.18 3g6e h ILE 31 Ca -0.05 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.40 3g6e h ILE 31 Cb 1.63 1.90 -0.00 0.00 -0.74 0.00 0.00 36.82 39.60 3g6e h ILE 31 CO 0.14 0.42 -0.07 1.23 0.00 0.00 0.00 178.15 179.87 3g6e h GLY 32 N 0.04 0.05 1.13 5.37 0.00 -1.14 -1.93 103.07 106.59 3g6e h GLY 32 Ca 0.02 -0.02 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 3g6e h GLY 32 CO 0.05 0.02 -0.69 1.70 0.00 0.00 0.00 176.54 177.62 3g6e h LYS 33 N 0.04 0.79 0.00 4.80 3.64 -1.34 -1.42 116.57 123.09 3g6e h LYS 33 Ca 0.01 -0.61 -0.10 0.00 -1.27 0.00 0.00 60.65 58.69 3g6e h LYS 33 Cb 0.15 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3g6e h LYS 33 CO 0.01 1.22 -0.45 0.00 -2.27 0.00 0.00 179.45 177.96 3g6e h ALA 34 N 0.57 1.22 0.24 5.00 0.00 -0.98 -1.77 119.26 123.54 3g6e h ALA 34 Ca -0.03 -0.41 -0.33 0.00 0.00 0.00 0.00 54.91 54.13 3g6e h ALA 34 Cb 1.31 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 19.07 3g6e h ALA 34 CO 0.14 0.57 -1.48 0.28 0.00 0.00 0.00 179.25 178.76 3g6e h VAL 35 N 0.00 1.28 -0.50 0.00 2.07 -1.35 -2.59 116.25 115.15 3g6e h VAL 35 Ca -0.00 -2.73 -0.01 0.00 0.82 0.00 0.00 66.70 64.78 3g6e h VAL 35 Cb 0.82 3.01 -0.02 0.00 -1.52 0.00 0.00 31.29 33.58 3g6e h VAL 35 CO 0.06 0.82 0.28 0.03 0.02 0.00 0.00 177.57 178.79 3g6e h ARG 36 N 0.14 0.68 -0.09 1.57 3.08 -1.06 -0.83 114.38 117.86 3g6e h ARG 36 Ca -0.25 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.64 3g6e h ARG 36 Cb 2.15 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 32.06 3g6e h ARG 36 CO 0.26 0.49 -0.33 0.00 -1.07 0.00 0.00 179.97 179.32 3g6e h ALA 37 N 1.63 0.16 -0.84 0.04 0.00 -1.37 -2.51 119.26 116.37 3g6e h ALA 37 Ca 0.18 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3g6e h ALA 37 Cb -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3g6e h ALA 37 CO -0.03 0.22 0.40 0.00 0.00 0.00 0.00 179.25 179.84 3g6e h ALA 38 N 0.47 1.12 -0.13 0.00 0.00 -1.03 -0.36 119.26 119.33 3g6e h ALA 38 Ca -0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 3g6e h ALA 38 Cb 0.96 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3g6e h ALA 38 CO 0.07 0.66 -0.56 1.96 0.00 0.00 0.00 179.25 181.38 3g6e h GLN 39 N 1.20 0.39 0.05 0.00 4.20 -1.22 -3.18 115.11 116.55 3g6e h GLN 39 Ca 0.29 -0.25 -0.23 0.00 0.06 0.00 0.00 58.65 58.51 3g6e h GLN 39 Cb 0.12 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 3g6e h GLN 39 CO -0.04 0.85 -1.03 0.00 -0.67 0.00 0.00 178.83 177.94 3g6e h ALA 40 N 1.10 0.31 0.00 3.87 0.00 -1.12 -3.29 119.26 120.14 3g6e h ALA 40 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3g6e h ALA 40 Cb 1.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3g6e h ALA 40 CO 0.10 0.93 0.00 -0.91 0.00 0.00 0.00 179.25 179.37 3g6e h ASN 41 N 0.12 0.00 -0.02 0.00 2.35 -1.05 -2.50 115.58 114.48 3g6e h ASN 41 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3g6e h ASN 41 Cb 1.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.08 3g6e h ASN 41 CO 0.17 0.00 -0.17 -2.11 -1.65 0.00 0.00 177.43 173.67 3g6e n ARG 42 N -2.44 1.89 -2.42 0.81 1.85 -1.22 -4.95 116.66 110.18 3g6e n ARG 42 Ca 0.01 -1.55 -0.41 0.00 -1.00 0.00 0.00 57.85 54.90 3g6e n ARG 42 Cb 0.22 -1.47 -0.04 0.00 -1.05 0.00 0.00 32.46 30.13 3g6e n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3g6e s LYS 43 N -2.18 4.53 0.22 2.89 3.01 -0.94 -5.03 119.74 122.24 3g6e s LYS 43 Ca 0.25 1.82 -0.16 0.00 -1.01 0.00 0.00 55.97 56.88 3g6e s LYS 43 Cb 0.19 -3.25 -0.08 0.00 -1.01 0.00 0.00 37.83 33.69 3g6e s LYS 43 CO 0.40 -0.02 0.65 -0.65 0.51 0.00 0.00 175.35 176.24 3g6e s GLN 44 N -0.38 4.05 0.27 1.68 -0.21 -1.26 -4.97 119.66 118.85 3g6e s GLN 44 Ca 0.51 0.63 -0.29 0.00 0.02 0.00 0.00 55.36 56.22 3g6e s GLN 44 Cb -0.32 -2.76 -0.09 0.00 1.00 0.00 0.00 33.01 30.84 3g6e s GLN 44 CO 0.37 0.36 1.24 -0.51 -2.12 0.00 0.00 175.29 174.62 3g6e s ASP 45 N -1.91 6.98 0.25 5.90 -0.00 -1.26 -5.03 116.67 121.60 3g6e s ASP 45 Ca 0.44 2.45 -0.00 0.00 -0.00 0.00 0.00 52.55 55.44 3g6e s ASP 45 Cb -0.14 -2.63 -0.03 0.00 -0.00 0.00 0.00 42.92 40.12 3g6e s ASP 45 CO 0.20 -0.40 0.24 -0.72 -0.00 0.00 0.00 175.17 174.49 3g6e s TYR 46 N -0.73 1.20 0.00 4.23 -0.85 -1.26 -5.02 117.35 114.92 3g6e s TYR 46 Ca 0.50 -1.36 0.00 0.00 -0.52 0.00 0.00 57.07 55.68 3g6e s TYR 46 Cb -0.36 -0.46 0.00 0.00 0.38 0.00 0.00 41.96 41.52 3g6e s TYR 46 CO 0.44 -0.79 0.00 0.41 -1.52 0.00 0.00 175.55 174.09 3g6e n GLY 47 N -0.40 3.50 3.80 5.49 0.00 -1.26 -2.64 105.19 113.69 3g6e n GLY 47 Ca 0.03 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 3g6e n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g6e s SER 48 N 0.00 5.00 0.07 1.61 1.04 -1.17 -4.90 113.70 115.35 3g6e s SER 48 Ca 0.00 1.59 -0.33 0.00 0.48 0.00 0.00 55.95 57.68 3g6e s SER 48 Cb 0.00 -2.40 -0.12 0.00 0.10 0.00 0.00 66.02 63.59 3g6e s SER 48 CO 0.00 -1.68 1.74 -0.67 0.98 0.00 0.00 173.24 173.61 3g6e n ASP 49 N -3.28 3.42 0.26 7.02 -0.08 -1.26 -4.86 116.55 117.77 3g6e n ASP 49 Ca 0.08 1.03 0.18 0.00 -1.51 0.00 0.00 54.79 54.56 3g6e n ASP 49 Cb 0.54 -1.43 0.91 0.00 2.34 0.00 0.00 41.12 43.48 3g6e n ASP 49 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3g6e h GLU 50 N 7.59 0.00 -0.23 -0.67 5.08 -1.98 -1.79 114.58 122.58 3g6e h GLU 50 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3g6e h GLU 50 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3g6e h GLU 50 CO 0.92 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.59 3g6e n TYR 51 N -3.43 0.30 -1.69 4.33 4.02 -1.26 -4.95 117.16 114.47 3g6e n TYR 51 Ca -0.00 -0.27 -0.42 0.00 -0.01 0.00 0.00 57.90 57.20 3g6e n TYR 51 Cb 0.29 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.57 3g6e n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3g6e s ALA 52 N -1.05 3.55 0.00 -0.72 0.00 -0.67 -1.14 121.76 121.72 3g6e s ALA 52 Ca 0.22 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3g6e s ALA 52 Cb 0.13 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.40 3g6e s ALA 52 CO 0.18 -1.61 0.00 0.41 0.00 0.00 0.00 175.76 174.73 3g6e n GLY 53 N 4.57 1.37 0.77 0.00 0.00 -1.26 -4.25 105.19 106.39 3g6e n GLY 53 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 3g6e n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g6e n LEU 54 N 0.00 2.59 -3.59 0.99 4.77 -0.29 -3.70 117.00 117.77 3g6e n LEU 54 Ca 0.00 -0.92 -0.41 0.00 -0.03 0.00 0.00 56.01 54.65 3g6e n LEU 54 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3g6e n LEU 54 CO 0.00 0.45 2.53 0.54 -1.33 0.00 0.00 177.39 179.58 3g6e n ARG 55 N 0.84 3.87 -3.59 3.23 1.74 -1.24 -4.85 116.66 116.68 3g6e n ARG 55 Ca 0.12 -3.09 -0.15 0.00 -0.77 0.00 0.00 57.85 53.96 3g6e n ARG 55 Cb 0.53 -2.85 -0.07 0.00 -1.02 0.00 0.00 32.46 29.06 3g6e n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3g6e s THR 56 N 0.63 0.00 -1.28 0.55 -1.32 -1.26 -5.04 115.64 107.92 3g6e s THR 56 Ca 0.52 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 61.13 3g6e s THR 56 Cb 0.15 -1.00 0.50 0.00 -1.51 0.00 0.00 72.50 70.64 3g6e s THR 56 CO -0.06 0.00 1.36 -0.81 -2.21 0.00 0.00 174.62 172.90 3g6e n PRO 57 N 1.93 2.88 -1.49 7.08 -0.04 -1.26 -4.99 135.00 139.11 3g6e n PRO 57 Ca -0.16 -1.97 -0.58 0.00 -0.04 0.00 0.00 63.50 60.75 3g6e n PRO 57 Cb 0.56 -1.69 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 3g6e n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g6e n ALA 58 N 0.71 -3.11 -2.47 0.55 0.00 -1.26 -4.99 120.51 109.94 3g6e n ALA 58 Ca 0.18 0.56 -0.23 0.00 0.00 0.00 0.00 53.44 53.95 3g6e n ALA 58 Cb 0.65 -1.72 -0.12 0.00 0.00 0.00 0.00 19.45 18.26 3g6e n ALA 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3g6e s GLU 59 N 0.56 1.25 0.09 0.00 2.02 -0.91 -4.69 118.70 117.02 3g6e s GLU 59 Ca 0.90 -1.35 -0.20 0.00 0.02 0.00 0.00 54.97 54.34 3g6e s GLU 59 Cb -1.27 -1.38 -0.07 0.00 0.10 0.00 0.00 34.13 31.51 3g6e s GLU 59 CO 0.60 0.29 0.61 0.45 0.02 0.00 0.00 175.26 177.23 3g6e s SER 60 N -2.45 7.12 0.36 -0.19 0.15 -1.26 -0.17 113.70 117.26 3g6e s SER 60 Ca 0.13 1.33 0.26 0.00 0.70 0.00 0.00 55.95 58.37 3g6e s SER 60 Cb -0.07 -2.39 0.70 0.00 -1.71 0.00 0.00 66.02 62.55 3g6e s SER 60 CO 0.06 0.26 1.73 -0.26 1.20 0.00 0.00 173.24 176.22 3g6e h PHE 61 N 4.55 0.00 0.00 3.44 -1.00 -1.91 -3.48 116.94 118.54 3g6e h PHE 61 Ca -0.49 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.29 3g6e h PHE 61 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 3g6e h PHE 61 CO 0.67 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.78 3g6e n GLY 62 N 0.92 -0.92 3.81 -1.45 0.00 -1.26 -4.88 105.19 101.41 3g6e n GLY 62 Ca 0.04 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 3g6e n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g6e s SER 63 N -4.00 6.89 0.00 1.61 0.01 -1.26 -4.60 113.70 112.35 3g6e s SER 63 Ca 0.00 1.79 0.00 0.00 1.31 0.00 0.00 55.95 59.05 3g6e s SER 63 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3g6e s SER 63 CO 0.00 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.86 3g6e n GLY 64 N -0.29 3.92 1.47 3.44 0.00 -1.26 -4.98 105.19 107.50 3g6e n GLY 64 Ca 0.06 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.37 3g6e n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3g6e n ARG 65 N 0.00 3.98 -2.46 1.61 1.85 -1.26 -4.95 116.66 115.43 3g6e n ARG 65 Ca 0.00 -2.95 -0.14 0.00 -1.00 0.00 0.00 57.85 53.75 3g6e n ARG 65 Cb 0.00 -2.01 0.01 0.00 -1.05 0.00 0.00 32.46 29.41 3g6e n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3g6e n GLY 66 N 0.42 -0.17 3.20 2.89 0.00 -1.26 -5.02 105.19 105.25 3g6e n GLY 66 Ca 0.25 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 3g6e n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g6e s GLN 67 N -4.93 0.90 0.46 1.61 -0.21 -1.26 -5.13 119.66 111.09 3g6e s GLN 67 Ca 0.08 -1.15 -0.24 0.00 0.02 0.00 0.00 55.36 54.07 3g6e s GLN 67 Cb -0.04 -0.71 -0.07 0.00 1.00 0.00 0.00 33.01 33.19 3g6e s GLN 67 CO 0.10 0.13 1.30 0.00 -2.12 0.00 0.00 175.29 174.70 3g6e s ALA 68 N -2.14 3.09 -1.00 6.09 0.00 -1.26 -4.86 121.76 121.68 3g6e s ALA 68 Ca 0.05 1.23 -0.15 0.00 0.00 0.00 0.00 51.96 53.09 3g6e s ALA 68 Cb -0.05 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 3g6e s ALA 68 CO 0.01 -0.98 2.11 0.72 0.00 0.00 0.00 175.76 177.63 3g6e n HIS 69 N -0.33 2.08 -4.45 0.00 -0.00 -1.26 -4.88 115.22 106.38 3g6e n HIS 69 Ca 0.06 -2.16 -0.34 0.00 -0.00 0.00 0.00 57.72 55.29 3g6e n HIS 69 Cb 0.45 -1.91 -0.11 0.00 -0.00 0.00 0.00 29.99 28.41 3g6e n HIS 69 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3g6e s VAL 70 N 4.04 3.93 0.06 1.59 1.01 -1.26 -4.96 120.40 124.81 3g6e s VAL 70 Ca 0.52 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 3g6e s VAL 70 Cb 0.13 -2.68 -0.09 0.00 0.00 0.00 0.00 36.38 33.74 3g6e s VAL 70 CO 0.03 0.54 1.87 -2.84 0.00 0.00 0.00 175.10 174.69 3g6e s PRO 71 N -0.13 4.15 0.15 2.72 0.02 -1.26 -4.39 135.00 136.26 3g6e s PRO 71 Ca 0.03 2.55 0.11 0.00 0.02 0.00 0.00 61.00 63.70 3g6e s PRO 71 Cb -0.13 -3.90 -0.04 0.00 0.02 0.00 0.00 34.50 30.45 3g6e s PRO 71 CO 0.02 -0.89 -0.25 0.15 -0.33 0.00 0.00 177.00 175.71 3g6e s LYS 72 N 3.68 1.49 -0.08 5.54 1.02 0.76 -0.80 119.74 131.36 3g6e s LYS 72 Ca 0.83 -1.38 -0.03 0.00 0.02 0.00 0.00 55.97 55.41 3g6e s LYS 72 Cb -0.43 -1.91 0.04 0.00 -0.52 0.00 0.00 37.83 35.01 3g6e s LYS 72 CO 0.38 0.44 0.14 -1.14 -0.92 0.00 0.00 175.35 174.25 3g6e s GLN 73 N -2.28 0.01 -1.45 1.68 2.00 0.44 -2.14 119.66 117.92 3g6e s GLN 73 Ca 0.17 0.52 -0.11 0.00 -2.00 0.00 0.00 55.36 53.94 3g6e s GLN 73 Cb -0.09 -0.33 0.05 0.00 0.80 0.00 0.00 33.01 33.43 3g6e s GLN 73 CO 0.08 -0.31 1.05 -0.25 -0.50 0.00 0.00 175.29 175.36 3g6e n ASP 74 N 5.32 -5.63 -1.20 6.67 8.00 -1.26 -1.88 116.55 126.57 3g6e n ASP 74 Ca -0.04 -0.63 -0.14 0.00 0.71 0.00 0.00 54.79 54.69 3g6e n ASP 74 Cb 0.50 -4.46 -0.04 0.00 -0.02 0.00 0.00 41.12 37.09 3g6e n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g6e n GLY 75 N -1.83 0.95 2.99 0.44 0.00 -1.26 -4.99 105.19 101.48 3g6e n GLY 75 Ca 0.02 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 3g6e n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3g6e s ARG 76 N -3.61 1.67 0.37 1.61 3.52 -0.79 -5.11 118.95 116.61 3g6e s ARG 76 Ca 0.00 -0.37 -0.27 0.00 -0.13 0.00 0.00 55.73 54.96 3g6e s ARG 76 Cb 0.00 -1.49 -0.09 0.00 -1.56 0.00 0.00 34.95 31.80 3g6e s ARG 76 CO 0.00 -0.08 1.28 0.00 -0.81 0.00 0.00 175.30 175.70 3g6e s ALA 77 N 1.03 3.35 0.35 6.12 0.00 -1.26 -0.42 121.76 130.94 3g6e s ALA 77 Ca -0.07 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.12 3g6e s ALA 77 Cb -0.15 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 3g6e s ALA 77 CO -0.01 -0.69 0.40 1.03 0.00 0.00 0.00 175.76 176.49 3g6e s ARG 78 N -2.03 1.89 0.00 0.00 3.00 0.02 -4.72 118.95 117.11 3g6e s ARG 78 Ca 0.53 -1.91 0.00 0.00 0.00 0.00 0.00 55.73 54.35 3g6e s ARG 78 Cb -0.38 0.40 0.00 0.00 0.00 0.00 0.00 34.95 34.97 3g6e s ARG 78 CO 0.49 -0.75 0.00 -2.13 0.00 0.00 0.00 175.30 172.91 3g6e n ARG 79 N -0.61 0.00 -1.63 3.54 0.63 -1.24 -4.46 116.66 112.88 3g6e n ARG 79 Ca 0.04 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.57 3g6e n ARG 79 Cb 0.62 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.55 3g6e n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3g6e n VAL 80 N 0.00 2.86 0.03 5.15 0.24 -1.26 0.47 118.33 125.82 3g6e n VAL 80 Ca 0.00 -0.50 0.20 0.00 -2.04 0.00 0.00 64.34 62.00 3g6e n VAL 80 Cb 0.00 -1.23 0.71 0.00 -1.47 0.00 0.00 33.84 31.85 3g6e n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3g6e h PRO 81 N 1.29 0.00 -0.00 7.34 0.11 -1.91 -1.48 132.00 137.35 3g6e h PRO 81 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3g6e h PRO 81 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3g6e h PRO 81 CO 0.55 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.26 3g6e n GLN 82 N -4.26 0.39 -3.59 1.05 0.00 -1.26 -4.83 117.38 104.88 3g6e n GLN 82 Ca 0.09 -0.08 -0.38 0.00 0.00 0.00 0.00 57.00 56.63 3g6e n GLN 82 Cb 0.58 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.26 3g6e n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3g6e s ALA 83 N -2.67 3.74 0.23 2.61 0.00 -0.56 -5.04 121.76 120.08 3g6e s ALA 83 Ca 0.24 -0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 3g6e s ALA 83 Cb 0.20 -2.29 -0.10 0.00 0.00 0.00 0.00 23.12 20.92 3g6e s ALA 83 CO 0.50 0.52 1.48 0.08 0.00 0.00 0.00 175.76 178.34 3g6e s VAL 84 N -1.09 2.61 0.00 0.00 1.01 -1.26 -0.85 120.40 120.82 3g6e s VAL 84 Ca 0.22 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.70 3g6e s VAL 84 Cb -0.16 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.91 3g6e s VAL 84 CO 0.12 0.07 0.00 0.29 0.00 0.00 0.00 175.10 175.58 3g6e n LYS 85 N 2.66 -0.05 -1.87 2.72 4.76 -1.26 -4.69 118.16 120.42 3g6e n LYS 85 Ca 0.08 0.01 -0.29 0.00 -2.87 0.00 0.00 58.31 55.24 3g6e n LYS 85 Cb 0.40 -2.82 0.11 0.00 -1.84 0.00 0.00 35.03 30.88 3g6e n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3g6e s GLY 86 N -2.00 1.61 0.78 0.72 0.00 -0.03 -4.45 107.32 103.95 3g6e s GLY 86 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 44.72 43.89 3g6e s GLY 86 CO 0.00 -0.18 1.12 1.09 0.00 0.00 0.00 173.10 175.13 3g6e s ARG 87 N -5.60 2.03 -0.25 2.90 1.70 0.18 -4.71 118.95 115.20 3g6e s ARG 87 Ca 0.64 1.38 -0.21 0.00 -0.47 0.00 0.00 55.73 57.07 3g6e s ARG 87 Cb -0.10 -1.86 -0.02 0.00 -0.57 0.00 0.00 34.95 32.40 3g6e s ARG 87 CO 0.50 -1.84 0.66 0.45 -1.08 0.00 0.00 175.30 173.99 3g6e s SER 88 N -2.88 6.62 0.12 -2.89 0.15 -1.26 -4.02 113.70 109.55 3g6e s SER 88 Ca 0.65 0.77 -0.29 0.00 0.70 0.00 0.00 55.95 57.78 3g6e s SER 88 Cb -0.21 -2.35 -0.08 0.00 -1.71 0.00 0.00 66.02 61.67 3g6e s SER 88 CO 0.52 -0.39 1.59 0.00 1.20 0.00 0.00 173.24 176.16 3g6e h ALA 89 N 7.85 -0.63 -2.31 5.45 0.00 -1.94 -3.34 119.26 124.33 3g6e h ALA 89 Ca -0.26 -0.04 -0.59 0.00 0.00 0.00 0.00 54.91 54.02 3g6e h ALA 89 Cb 1.12 0.69 -0.40 0.00 0.00 0.00 0.00 17.79 19.19 3g6e h ALA 89 CO 0.79 -0.93 -0.86 0.72 0.00 0.00 0.00 179.25 178.98 3g6e n HIS 90 N -5.44 1.17 -1.80 0.00 8.25 -1.26 -5.13 115.22 111.01 3g6e n HIS 90 Ca -0.06 -3.79 -0.29 0.00 -0.26 0.00 0.00 57.72 53.33 3g6e n HIS 90 Cb 0.36 -0.31 0.11 0.00 1.12 0.00 0.00 29.99 31.27 3g6e n HIS 90 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3g6e s PRO 91 N -1.30 1.55 0.23 -0.41 0.04 -1.26 -5.00 135.00 128.86 3g6e s PRO 91 Ca 0.34 0.10 -0.30 0.00 0.04 0.00 0.00 61.00 61.18 3g6e s PRO 91 Cb 0.10 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 3g6e s PRO 91 CO -0.11 -1.88 1.32 -2.14 0.04 0.00 0.00 177.00 174.23 3g6e s PRO 92 N -5.53 4.37 -0.03 0.56 0.02 -1.26 -4.97 135.00 128.16 3g6e s PRO 92 Ca 0.64 2.11 0.03 0.00 0.02 0.00 0.00 61.00 63.80 3g6e s PRO 92 Cb -0.11 -3.16 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 3g6e s PRO 92 CO 0.51 -0.25 -0.11 0.15 -0.33 0.00 0.00 177.00 176.97 3g6e s LYS 93 N -0.50 2.53 0.26 5.54 1.02 -1.26 -3.06 119.74 124.28 3g6e s LYS 93 Ca 0.55 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.85 3g6e s LYS 93 Cb -0.38 -2.44 0.35 0.00 -0.52 0.00 0.00 37.83 34.84 3g6e s LYS 93 CO 0.42 0.62 1.70 1.15 -0.92 0.00 0.00 175.35 178.31 3g6e h THR 94 N 4.12 1.27 0.00 2.17 2.02 -1.85 -3.14 112.91 117.50 3g6e h THR 94 Ca -0.48 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.42 3g6e h THR 94 Cb 1.16 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 3g6e h THR 94 CO 0.51 0.41 0.00 -0.33 0.37 0.00 0.00 175.52 176.49 3g6e h GLU 95 N 0.50 0.00 -6.56 6.66 3.07 -1.95 -3.44 114.58 112.85 3g6e h GLU 95 Ca 0.07 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.40 3g6e h GLU 95 Cb 0.68 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.62 3g6e h GLU 95 CO 0.05 0.00 0.81 0.21 -1.40 0.00 0.00 179.01 178.68 3g6e s LYS 96 N -3.66 4.27 -0.50 2.33 2.20 -1.19 -4.96 119.74 118.22 3g6e s LYS 96 Ca -0.02 2.21 -0.29 0.00 -0.36 0.00 0.00 55.97 57.52 3g6e s LYS 96 Cb 0.09 -3.24 0.03 0.00 -1.51 0.00 0.00 37.83 33.19 3g6e s LYS 96 CO 0.31 -0.53 1.23 0.34 -0.36 0.00 0.00 175.35 176.34 3g6e s ASP 97 N 1.23 6.48 0.00 1.43 3.68 -1.26 -4.86 116.67 123.36 3g6e s ASP 97 Ca 0.67 0.41 0.22 0.00 2.13 0.00 0.00 52.55 55.98 3g6e s ASP 97 Cb -0.40 -2.55 0.58 0.00 -1.45 0.00 0.00 42.92 39.10 3g6e s ASP 97 CO 0.31 -1.40 1.49 0.54 0.13 0.00 0.00 175.17 176.24 3g6e n ARG 98 N 8.14 2.57 -3.72 4.34 1.74 -1.26 -4.95 116.66 123.51 3g6e n ARG 98 Ca 0.12 -2.42 -0.32 0.00 -0.77 0.00 0.00 57.85 54.46 3g6e n ARG 98 Cb 0.49 -1.53 -0.05 0.00 -1.02 0.00 0.00 32.46 30.35 3g6e n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3g6e s SER 99 N -1.12 6.47 -0.07 0.55 1.04 -1.26 -4.54 113.70 114.78 3g6e s SER 99 Ca 0.44 0.54 0.04 0.00 0.48 0.00 0.00 55.95 57.45 3g6e s SER 99 Cb 0.24 -2.07 -0.02 0.00 0.10 0.00 0.00 66.02 64.27 3g6e s SER 99 CO 0.31 0.09 -0.18 -0.76 0.98 0.00 0.00 173.24 173.68 3g6e s LEU 100 N -2.57 2.49 0.30 2.42 1.43 -1.26 -5.03 118.68 116.47 3g6e s LEU 100 Ca 0.39 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 3g6e s LEU 100 Cb -0.12 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 3g6e s LEU 100 CO 0.25 0.28 0.57 -1.81 0.23 0.00 0.00 176.35 175.86 3g6e s ASP 101 N -0.35 6.43 -0.14 2.29 1.11 -1.26 -4.91 116.67 119.84 3g6e s ASP 101 Ca 0.03 0.71 -0.11 0.00 0.18 0.00 0.00 52.55 53.36 3g6e s ASP 101 Cb -0.12 -2.14 0.04 0.00 1.07 0.00 0.00 42.92 41.77 3g6e s ASP 101 CO 0.02 -0.22 0.36 -0.22 1.18 0.00 0.00 175.17 176.30 3g6e s LEU 102 N -3.66 0.37 0.29 1.23 2.96 -1.26 -5.06 118.68 113.55 3g6e s LEU 102 Ca 0.44 0.76 -0.29 0.00 -0.22 0.00 0.00 54.13 54.81 3g6e s LEU 102 Cb -0.11 1.22 -0.10 0.00 0.50 0.00 0.00 46.19 47.70 3g6e s LEU 102 CO 0.31 -0.15 1.23 0.20 -1.32 0.00 0.00 176.35 176.62 3g6e s ASN 103 N 0.69 6.98 0.29 3.68 -0.87 -1.26 -4.91 114.94 119.55 3g6e s ASN 103 Ca -0.04 2.48 0.03 0.00 -1.57 0.00 0.00 52.86 53.76 3g6e s ASN 103 Cb -0.05 -2.63 0.61 0.00 -0.02 0.00 0.00 41.25 39.15 3g6e s ASN 103 CO -0.05 -0.39 1.83 0.44 -2.57 0.00 0.00 177.10 176.36 3g6e h ASP 104 N 3.92 0.88 -0.40 -1.22 3.32 -2.00 -0.83 116.42 120.09 3g6e h ASP 104 Ca -0.47 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.52 3g6e h ASP 104 Cb 1.22 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 3g6e h ASP 104 CO 0.68 0.44 -0.20 0.11 -1.72 0.00 0.00 179.24 178.55 3g6e h LYS 105 N 0.93 0.84 -0.28 3.56 1.57 -1.98 0.16 116.57 121.38 3g6e h LYS 105 Ca 0.51 -0.37 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 3g6e h LYS 105 Cb 0.59 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3g6e h LYS 105 CO -0.28 1.01 -0.29 1.49 -0.57 0.00 0.00 179.45 180.81 3g6e h GLU 106 N 0.65 0.56 0.04 3.15 4.81 -1.86 -0.52 114.58 121.42 3g6e h GLU 106 Ca 0.09 -0.23 -0.28 0.00 -0.13 0.00 0.00 59.36 58.81 3g6e h GLU 106 Cb 0.77 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 30.15 3g6e h GLU 106 CO 0.06 0.79 -1.11 -0.09 -0.73 0.00 0.00 179.01 177.93 3g6e h ARG 107 N 0.48 0.68 -0.33 1.92 2.43 -0.98 -2.89 114.38 115.70 3g6e h ARG 107 Ca 0.06 -0.78 -0.09 0.00 -0.81 0.00 0.00 59.98 58.36 3g6e h ARG 107 Cb 0.74 0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 3g6e h ARG 107 CO 0.06 1.35 -0.15 1.96 -1.51 0.00 0.00 179.97 181.67 3g6e h GLN 108 N 0.35 0.59 0.00 0.20 4.20 -0.55 -2.22 115.11 117.68 3g6e h GLN 108 Ca -0.15 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.26 3g6e h GLN 108 Cb 1.77 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.48 3g6e h GLN 108 CO 0.22 0.72 -0.50 1.25 -0.67 0.00 0.00 178.83 179.85 3g6e h LEU 109 N 0.53 0.00 -0.40 1.46 5.85 -1.13 -2.14 115.31 119.48 3g6e h LEU 109 Ca 0.09 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.63 3g6e h LEU 109 Cb 0.57 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 3g6e h LEU 109 CO 0.04 0.50 -0.73 0.00 -0.34 0.00 0.00 178.44 177.91 3g6e h ALA 110 N 1.50 0.59 -0.34 1.25 0.00 -1.25 -0.93 119.26 120.08 3g6e h ALA 110 Ca -0.01 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 3g6e h ALA 110 Cb 0.89 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3g6e h ALA 110 CO 0.07 0.76 -0.08 0.28 0.00 0.00 0.00 179.25 180.27 3g6e h VAL 111 N 0.28 1.28 -0.59 0.00 2.07 -1.05 -0.94 116.25 117.30 3g6e h VAL 111 Ca -0.03 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 3g6e h VAL 111 Cb 1.31 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 3g6e h VAL 111 CO 0.13 0.37 0.18 0.03 0.02 0.00 0.00 177.57 178.30 3g6e h ARG 112 N 0.45 0.92 -0.06 1.57 3.08 -1.36 -1.39 114.38 117.59 3g6e h ARG 112 Ca 0.09 -0.20 -0.13 0.00 0.07 0.00 0.00 59.98 59.81 3g6e h ARG 112 Cb 0.58 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3g6e h ARG 112 CO 0.03 0.83 -0.53 1.03 -1.07 0.00 0.00 179.97 180.26 3g6e h SER 113 N 0.84 0.18 0.56 7.04 0.87 -1.05 -1.27 113.55 120.72 3g6e h SER 113 Ca 0.19 -0.09 -0.18 0.00 -1.23 0.00 0.00 61.79 60.48 3g6e h SER 113 Cb 0.29 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 3g6e h SER 113 CO -0.01 0.68 -0.82 0.00 -0.53 0.00 0.00 176.83 176.16 3g6e h ALA 114 N 1.33 0.60 -0.34 6.23 0.00 -0.95 -1.62 119.26 124.51 3g6e h ALA 114 Ca 0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 54.91 54.07 3g6e h ALA 114 Cb 0.99 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3g6e h ALA 114 CO 0.08 0.89 -0.37 1.25 0.00 0.00 0.00 179.25 181.09 3g6e h LEU 115 N 0.11 0.83 -0.69 0.00 5.85 -1.02 -2.97 115.31 117.42 3g6e h LEU 115 Ca -0.03 -0.37 -0.14 0.00 0.84 0.00 0.00 57.88 58.18 3g6e h LEU 115 Cb 1.42 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3g6e h LEU 115 CO 0.12 1.11 -0.50 0.00 -0.34 0.00 0.00 178.44 178.83 3g6e h ALA 116 N 0.93 0.87 0.00 1.25 0.00 -1.06 -2.71 119.26 118.53 3g6e h ALA 116 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3g6e h ALA 116 Cb 0.93 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3g6e h ALA 116 CO 0.09 0.67 0.00 0.00 0.00 0.00 0.00 179.25 180.00 3g6e h ALA 117 N 1.16 1.00 0.00 0.00 0.00 -1.13 -1.87 119.26 118.42 3g6e h ALA 117 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3g6e h ALA 117 Cb 0.99 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3g6e h ALA 117 CO 0.09 0.00 -0.22 1.15 0.00 0.00 0.00 179.25 180.26 3g6e h THR 118 N 0.00 0.50 -0.01 0.00 2.02 -1.41 -3.17 112.91 110.84 3g6e h THR 118 Ca 0.00 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.96 3g6e h THR 118 Cb 0.35 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3g6e h THR 118 CO 0.00 0.22 -0.01 0.00 0.37 0.00 0.00 175.52 176.10 3g6e n ALA 119 N -2.20 2.64 -3.20 6.16 0.00 -0.70 -3.60 120.51 119.61 3g6e n ALA 119 Ca 0.01 -0.34 -0.38 0.00 0.00 0.00 0.00 53.44 52.73 3g6e n ALA 119 Cb 0.47 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.49 3g6e n ALA 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3g6e s ASP 120 N -2.04 5.34 0.42 0.00 -1.08 -1.20 -4.67 116.67 113.44 3g6e s ASP 120 Ca 0.41 -1.13 0.11 0.00 -0.52 0.00 0.00 52.55 51.42 3g6e s ASP 120 Cb 0.21 -1.88 0.96 0.00 -1.46 0.00 0.00 42.92 40.76 3g6e s ASP 120 CO 0.36 -0.33 2.01 0.00 0.52 0.00 0.00 175.17 177.73 3g6e h ALA 121 N 8.23 1.89 -0.08 3.66 0.00 -1.85 -2.42 119.26 128.69 3g6e h ALA 121 Ca -0.23 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 3g6e h ALA 121 Cb 1.08 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.77 3g6e h ALA 121 CO 0.61 0.02 -0.86 -0.44 0.00 0.00 0.00 179.25 178.57 3g6e h ASP 122 N 0.47 0.81 -0.32 0.00 3.32 -1.94 -2.65 116.42 116.10 3g6e h ASP 122 Ca 0.23 -0.58 -0.10 0.00 0.02 0.00 0.00 57.03 56.60 3g6e h ASP 122 Cb 0.31 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3g6e h ASP 122 CO -0.06 1.37 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.61 3g6e h LEU 123 N 0.42 0.77 -0.87 1.55 3.38 -1.82 -0.58 115.31 118.17 3g6e h LEU 123 Ca -0.07 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 3g6e h LEU 123 Cb 1.49 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 3g6e h LEU 123 CO 0.17 0.93 -0.05 0.58 0.09 0.00 0.00 178.44 180.16 3g6e h VAL 124 N 0.69 1.25 0.00 1.22 2.07 -1.46 -0.71 116.25 119.31 3g6e h VAL 124 Ca 0.11 -1.08 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 3g6e h VAL 124 Cb 0.64 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3g6e h VAL 124 CO 0.05 0.38 -0.45 0.00 0.02 0.00 0.00 177.57 177.56 3g6e h ALA 125 N 1.22 0.72 0.00 1.67 0.00 -1.19 -3.16 119.26 118.51 3g6e h ALA 125 Ca 0.13 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 3g6e h ALA 125 Cb 0.51 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3g6e h ALA 125 CO 0.03 0.57 -0.76 -0.44 0.00 0.00 0.00 179.25 178.65 3g6e h ASP 126 N 0.00 0.00 0.75 0.00 3.32 -0.68 -3.08 116.42 116.73 3g6e h ASP 126 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3g6e h ASP 126 Cb 1.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 3g6e h ASP 126 CO 0.06 0.76 -0.23 -0.09 -1.72 0.00 0.00 179.24 178.01 3g6e h ARG 127 N 0.00 0.00 0.00 3.56 2.43 -1.11 -3.47 114.38 115.79 3g6e h ARG 127 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3g6e h ARG 127 Cb 1.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 3g6e h ARG 127 CO 0.10 0.23 0.00 0.41 -1.51 0.00 0.00 179.97 179.20 3g6e n GLY 128 N -0.06 1.64 3.71 2.80 0.00 -1.16 -5.12 105.19 107.00 3g6e n GLY 128 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3g6e n GLY 128 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3g6e n HIS 129 N 0.00 2.49 -3.62 1.61 8.25 -1.21 -5.00 115.22 117.73 3g6e n HIS 129 Ca 0.00 0.45 -0.39 0.00 -0.26 0.00 0.00 57.72 57.53 3g6e n HIS 129 Cb 0.00 -2.48 -0.11 0.00 1.12 0.00 0.00 29.99 28.52 3g6e n HIS 129 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3g6e s GLU 130 N -1.35 3.42 0.21 -0.41 0.41 -1.26 -4.62 118.70 115.09 3g6e s GLU 130 Ca 0.59 -0.67 -0.19 0.00 -0.41 0.00 0.00 54.97 54.29 3g6e s GLU 130 Cb -0.56 -3.62 0.03 0.00 -1.78 0.00 0.00 34.13 28.20 3g6e s GLU 130 CO 0.57 -0.40 0.58 -0.59 -0.49 0.00 0.00 175.26 174.93 3g6e s PHE 131 N 1.65 -0.17 -0.56 1.61 -0.12 -1.26 -1.62 117.98 117.51 3g6e s PHE 131 Ca 0.05 -0.18 0.07 0.00 -0.05 0.00 0.00 56.93 56.82 3g6e s PHE 131 Cb -0.17 0.48 0.28 0.00 -0.63 0.00 0.00 43.02 42.98 3g6e s PHE 131 CO 0.07 -0.99 0.74 -0.25 -0.05 0.00 0.00 175.22 174.75 3g6e n ASP 132 N -0.38 2.97 -4.16 1.98 8.00 -0.57 -5.05 116.55 119.34 3g6e n ASP 132 Ca -0.09 -3.31 -0.10 0.00 0.71 0.00 0.00 54.79 51.99 3g6e n ASP 132 Cb 0.62 -0.64 -0.10 0.00 -0.02 0.00 0.00 41.12 40.98 3g6e n ASP 132 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3g6e s ARG 133 N -2.42 0.92 -0.08 -1.24 0.52 -1.26 -4.82 118.95 110.57 3g6e s ARG 133 Ca 0.41 -1.43 -0.01 0.00 -0.52 0.00 0.00 55.73 54.18 3g6e s ARG 133 Cb 0.20 0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.72 3g6e s ARG 133 CO -0.06 -0.20 -0.08 -0.25 0.02 0.00 0.00 175.30 174.73 3g6e n ASP 134 N -0.10 2.22 -4.75 0.23 8.00 -1.26 -4.99 116.55 115.90 3g6e n ASP 134 Ca -0.07 0.02 -0.40 0.00 0.71 0.00 0.00 54.79 55.05 3g6e n ASP 134 Cb 0.63 -0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.51 3g6e n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3g6e s GLU 135 N -2.15 4.53 -0.21 -1.24 2.02 -1.26 -4.67 118.70 115.72 3g6e s GLU 135 Ca -0.11 1.13 -0.19 0.00 0.02 0.00 0.00 54.97 55.82 3g6e s GLU 135 Cb 0.03 -3.34 0.05 0.00 0.10 0.00 0.00 34.13 30.98 3g6e s GLU 135 CO 0.16 0.36 0.56 0.54 0.02 0.00 0.00 175.26 176.89 3g6e s VAL 136 N -0.35 -0.00 0.76 2.63 0.11 -1.26 -4.71 120.40 117.57 3g6e s VAL 136 Ca 0.39 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.33 3g6e s VAL 136 Cb -0.21 -0.77 0.05 0.00 -1.53 0.00 0.00 36.38 33.91 3g6e s VAL 136 CO 0.24 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.95 3g6e s PRO 137 N 0.32 2.34 -0.18 1.54 0.04 -1.24 -4.43 135.00 133.39 3g6e s PRO 137 Ca -0.00 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 61.92 3g6e s PRO 137 Cb -0.04 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 3g6e s PRO 137 CO 0.00 -1.58 1.14 0.08 0.04 0.00 0.00 177.00 176.68 3g6e s VAL 138 N -2.87 4.49 -0.28 -0.36 1.01 -0.85 -4.94 120.40 116.59 3g6e s VAL 138 Ca 0.61 1.79 -0.07 0.00 0.00 0.00 0.00 61.98 64.31 3g6e s VAL 138 Cb -0.17 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 3g6e s VAL 138 CO 0.55 -0.13 0.08 -0.69 0.00 0.00 0.00 175.10 174.91 3g6e s VAL 139 N 3.12 4.10 0.19 2.92 1.01 -1.26 -0.76 120.40 129.72 3g6e s VAL 139 Ca 0.50 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 62.04 3g6e s VAL 139 Cb -0.19 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3g6e s VAL 139 CO 0.12 0.15 -0.12 -0.69 0.00 0.00 0.00 175.10 174.56 3g6e s VAL 140 N 1.54 3.01 0.65 2.92 1.01 -0.42 -1.18 120.40 127.93 3g6e s VAL 140 Ca 0.04 -1.77 -0.16 0.00 0.00 0.00 0.00 61.98 60.08 3g6e s VAL 140 Cb -0.17 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 3g6e s VAL 140 CO 0.03 -0.13 1.15 -0.94 0.00 0.00 0.00 175.10 175.20 3g6e s SER 141 N -2.86 5.02 0.16 3.32 1.04 -0.14 -1.89 113.70 118.35 3g6e s SER 141 Ca 0.24 2.15 0.09 0.00 0.48 0.00 0.00 55.95 58.92 3g6e s SER 141 Cb -0.08 -2.57 0.48 0.00 0.10 0.00 0.00 66.02 63.95 3g6e s SER 141 CO 0.14 -1.70 1.20 0.47 0.98 0.00 0.00 173.24 174.34 3g6e n ASP 142 N -2.20 0.23 0.00 7.02 9.92 -1.26 -1.80 116.55 128.47 3g6e n ASP 142 Ca 0.12 0.54 0.06 0.00 -0.53 0.00 0.00 54.79 54.97 3g6e n ASP 142 Cb 0.51 -0.54 0.33 0.00 -0.64 0.00 0.00 41.12 40.78 3g6e n ASP 142 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3g6e n ASP 143 N -1.79 0.00 0.09 -2.24 8.00 -1.26 -2.97 116.55 116.38 3g6e n ASP 143 Ca -0.01 -1.47 -0.14 0.00 0.71 0.00 0.00 54.79 53.88 3g6e n ASP 143 Cb 0.14 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.14 3g6e n ASP 143 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3g6e h PHE 144 N 0.00 0.49 0.00 1.24 3.57 -1.73 -3.19 116.94 117.32 3g6e h PHE 144 Ca 0.00 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.18 3g6e h PHE 144 Cb 0.00 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.71 3g6e h PHE 144 CO 0.00 1.19 0.00 0.93 -2.23 0.00 0.00 178.31 178.20 3g6e h GLU 145 N 0.12 0.00 -0.01 1.11 5.08 -1.80 -2.42 114.58 116.66 3g6e h GLU 145 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3g6e h GLU 145 Cb 1.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.04 3g6e h GLU 145 CO 0.18 0.00 -0.29 -0.25 -1.00 0.00 0.00 179.01 177.65 3g6e n ASP 146 N -2.31 1.46 -4.75 1.42 8.00 -1.21 -4.93 116.55 114.24 3g6e n ASP 146 Ca 0.01 -1.19 -0.41 0.00 0.71 0.00 0.00 54.79 53.91 3g6e n ASP 146 Cb 0.16 0.22 -0.04 0.00 -0.02 0.00 0.00 41.12 41.44 3g6e n ASP 146 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3g6e s LEU 147 N -2.42 4.49 -0.19 0.64 1.43 -0.91 -4.96 118.68 116.74 3g6e s LEU 147 Ca 0.24 2.27 -0.07 0.00 -1.03 0.00 0.00 54.13 55.54 3g6e s LEU 147 Cb 0.19 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.70 3g6e s LEU 147 CO 0.51 -0.30 -0.23 0.52 0.23 0.00 0.00 176.35 177.08 3g6e n VAL 148 N 1.92 1.07 -2.67 -1.59 0.31 -1.26 -4.46 118.33 111.64 3g6e n VAL 148 Ca 0.02 -0.31 -0.35 0.00 -0.01 0.00 0.00 64.34 63.69 3g6e n VAL 148 Cb 0.45 -1.61 -0.05 0.00 -0.91 0.00 0.00 33.84 31.71 3g6e n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3g6e s LYS 149 N -2.36 4.21 0.06 5.55 -0.14 -1.26 -4.30 119.74 121.50 3g6e s LYS 149 Ca -0.27 1.33 -0.12 0.00 -1.36 0.00 0.00 55.97 55.56 3g6e s LYS 149 Cb 0.10 -2.41 -0.29 0.00 -1.68 0.00 0.00 37.83 33.55 3g6e s LYS 149 CO 0.37 -0.07 1.11 1.15 -0.76 0.00 0.00 175.35 177.14 3g6e h THR 150 N 2.09 1.34 0.00 2.17 2.02 -1.93 -3.25 112.91 115.35 3g6e h THR 150 Ca -0.48 -2.65 0.00 0.00 0.77 0.00 0.00 66.41 64.05 3g6e h THR 150 Cb 1.20 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 3g6e h THR 150 CO 0.62 0.79 0.00 1.56 0.37 0.00 0.00 175.52 178.86 3g6e h GLN 151 N 0.20 0.00 0.00 6.66 4.20 -1.94 -1.51 115.11 122.72 3g6e h GLN 151 Ca -0.18 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.38 3g6e h GLN 151 Cb 1.96 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.72 3g6e h GLN 151 CO 0.23 0.00 -0.68 0.93 -0.67 0.00 0.00 178.83 178.65 3g6e h GLU 152 N 0.00 0.00 0.00 1.46 5.08 -1.95 -2.90 114.58 116.27 3g6e h GLU 152 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3g6e h GLU 152 Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3g6e h GLU 152 CO 0.00 0.68 -0.80 0.28 -1.00 0.00 0.00 179.01 178.17 3g6e h VAL 153 N 0.00 1.39 -0.15 3.13 2.07 -1.37 -2.99 116.25 118.34 3g6e h VAL 153 Ca -0.01 -2.90 -0.01 0.00 0.82 0.00 0.00 66.70 64.60 3g6e h VAL 153 Cb 1.50 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 33.91 3g6e h VAL 153 CO 0.09 0.78 0.03 0.58 0.02 0.00 0.00 177.57 179.07 3g6e h VAL 154 N 0.00 1.20 -1.01 2.57 2.07 -1.36 -1.98 116.25 117.74 3g6e h VAL 154 Ca -0.01 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.90 3g6e h VAL 154 Cb 1.58 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.64 3g6e h VAL 154 CO 0.10 0.19 0.66 0.28 0.02 0.00 0.00 177.57 178.83 3g6e h SER 155 N 0.04 1.12 -0.53 0.57 0.02 -1.52 -0.85 113.55 112.40 3g6e h SER 155 Ca 0.05 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 3g6e h SER 155 Cb 0.26 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3g6e h SER 155 CO 0.00 0.79 -0.09 0.25 -1.14 0.00 0.00 176.83 176.63 3g6e h LEU 156 N 1.31 1.01 -0.80 5.07 5.85 -1.38 -1.76 115.31 124.61 3g6e h LEU 156 Ca 0.39 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3g6e h LEU 156 Cb -0.07 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.69 3g6e h LEU 156 CO -0.11 1.12 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.90 3g6e h LEU 157 N 0.88 0.00 -0.06 2.25 3.38 -0.80 -1.26 115.31 119.70 3g6e h LEU 157 Ca 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 3g6e h LEU 157 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3g6e h LEU 157 CO 0.05 0.14 -1.00 -0.33 0.09 0.00 0.00 178.44 177.40 3g6e h GLU 158 N 0.00 0.05 0.00 1.13 5.08 -0.94 -0.80 114.58 119.09 3g6e h GLU 158 Ca -0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3g6e h GLU 158 Cb 0.83 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 3g6e h GLU 158 CO 0.02 1.00 -0.06 0.00 -1.00 0.00 0.00 179.01 178.96 3g6e h ALA 159 N 0.97 0.96 -0.42 3.43 0.00 -0.98 -3.10 119.26 120.12 3g6e h ALA 159 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3g6e h ALA 159 Cb 1.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3g6e h ALA 159 CO 0.14 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.74 3g6e n LEU 160 N -3.12 3.31 -2.47 0.00 4.77 -0.51 -4.85 117.00 114.14 3g6e n LEU 160 Ca 0.03 -1.46 -0.16 0.00 -0.03 0.00 0.00 56.01 54.39 3g6e n LEU 160 Cb 0.53 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 3g6e n LEU 160 CO 0.34 0.73 -0.19 0.47 -1.33 0.00 0.00 177.39 177.41 3g6e n ASP 161 N 1.38 -4.72 -0.02 -1.43 8.00 -1.04 -4.86 116.55 113.86 3g6e n ASP 161 Ca 0.20 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.79 3g6e n ASP 161 Cb 0.57 -3.96 0.00 0.00 -0.02 0.00 0.00 41.12 37.72 3g6e n ASP 161 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3g6e n VAL 162 N -3.67 0.74 0.19 2.53 3.14 -0.35 -1.51 118.33 119.40 3g6e n VAL 162 Ca -0.18 -0.87 0.07 0.00 -2.96 0.00 0.00 64.34 60.40 3g6e n VAL 162 Cb 0.64 0.63 0.20 0.00 -1.06 0.00 0.00 33.84 34.25 3g6e n VAL 162 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 3g6e h HIS 163 N 0.05 0.00 0.00 1.45 6.17 -1.74 -3.28 115.15 117.80 3g6e h HIS 163 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3g6e h HIS 163 Cb 0.38 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.31 3g6e h HIS 163 CO 0.00 0.28 0.09 0.00 0.71 0.00 0.00 177.93 179.02 3g6e h ALA 164 N 1.72 1.07 0.01 5.26 0.00 -1.83 -0.69 119.26 124.80 3g6e h ALA 164 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3g6e h ALA 164 Cb 1.09 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3g6e h ALA 164 CO 0.04 -0.07 -0.94 0.22 0.00 0.00 0.00 179.25 178.49 3g6e h ASP 165 N 0.00 0.07 1.59 0.00 3.58 -1.37 -2.89 116.42 117.41 3g6e h ASP 165 Ca 0.00 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 3g6e h ASP 165 Cb 0.19 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 3g6e h ASP 165 CO 0.00 0.97 -0.29 0.40 -2.88 0.00 0.00 179.24 177.44 3g6e h ILE 166 N 0.02 0.52 0.00 2.25 2.04 -1.36 -2.55 117.51 118.43 3g6e h ILE 166 Ca -0.03 -1.64 -0.10 0.00 1.00 0.00 0.00 64.86 64.10 3g6e h ILE 166 Cb 1.64 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 39.90 3g6e h ILE 166 CO 0.13 0.28 -0.45 0.44 0.00 0.00 0.00 178.15 178.55 3g6e h ASP 167 N 0.00 0.00 -0.13 1.72 3.45 -1.45 -1.57 116.42 118.45 3g6e h ASP 167 Ca -0.00 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.29 3g6e h ASP 167 Cb 1.16 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.94 3g6e h ASP 167 CO 0.04 0.45 -0.57 -0.09 -1.57 0.00 0.00 179.24 177.50 3g6e h ARG 168 N 0.00 0.61 -0.01 3.56 2.43 -1.29 -3.20 114.38 116.48 3g6e h ARG 168 Ca -0.00 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3g6e h ARG 168 Cb 1.17 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3g6e h ARG 168 CO 0.06 1.11 0.00 0.00 -1.51 0.00 0.00 179.97 179.63 3g6e n ALA 169 N -2.56 2.65 -1.26 2.80 0.00 -0.98 -4.08 120.51 117.07 3g6e n ALA 169 Ca -0.08 -0.27 -0.24 0.00 0.00 0.00 0.00 53.44 52.85 3g6e n ALA 169 Cb 0.64 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 3g6e n ALA 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g6e n ASP 170 N -0.64 6.59 -3.37 0.00 -0.08 -0.61 -4.40 116.55 114.06 3g6e n ASP 170 Ca 0.22 -3.21 -0.11 0.00 -1.51 0.00 0.00 54.79 50.18 3g6e n ASP 170 Cb 0.18 -1.14 -0.08 0.00 2.34 0.00 0.00 41.12 42.42 3g6e n ASP 170 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3g6e s GLU 171 N -1.98 0.33 0.20 -0.67 2.02 -1.26 -5.04 118.70 112.31 3g6e s GLU 171 Ca 0.49 0.37 -0.19 0.00 0.02 0.00 0.00 54.97 55.66 3g6e s GLU 171 Cb 0.34 -0.57 -0.08 0.00 0.10 0.00 0.00 34.13 33.92 3g6e s GLU 171 CO -0.13 -0.74 0.68 0.95 0.02 0.00 0.00 175.26 176.04 3g6e s THR 172 N 2.50 4.64 -0.14 3.63 -4.23 -1.26 -4.48 115.64 116.29 3g6e s THR 172 Ca 0.11 1.18 -0.05 0.00 -1.18 0.00 0.00 61.69 61.76 3g6e s THR 172 Cb -0.15 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.82 3g6e s THR 172 CO -0.19 0.24 0.02 -0.75 -0.54 0.00 0.00 174.62 173.40 3g6e s LYS 173 N -1.91 3.59 -0.56 3.99 2.20 0.14 -4.97 119.74 122.21 3g6e s LYS 173 Ca 0.41 -0.39 -0.18 0.00 -0.36 0.00 0.00 55.97 55.44 3g6e s LYS 173 Cb -0.17 -3.02 0.10 0.00 -1.51 0.00 0.00 37.83 33.23 3g6e s LYS 173 CO 0.21 0.42 0.65 0.42 -0.36 0.00 0.00 175.35 176.68 3g6e s ILE 174 N -0.07 4.89 0.48 5.43 1.01 -1.26 -2.42 121.20 129.26 3g6e s ILE 174 Ca 0.05 -0.95 -0.22 0.00 0.00 0.00 0.00 60.65 59.53 3g6e s ILE 174 Cb -0.12 -4.41 -0.09 0.00 0.01 0.00 0.00 42.46 37.84 3g6e s ILE 174 CO 0.02 -1.00 0.97 0.29 0.00 0.00 0.00 174.94 175.22 3g6e n LYS 175 N 6.12 1.19 -2.91 2.79 5.02 -0.58 -5.00 118.16 124.79 3g6e n LYS 175 Ca -0.10 0.44 -0.38 0.00 -2.02 0.00 0.00 58.31 56.25 3g6e n LYS 175 Cb 0.43 -2.07 -0.06 0.00 -0.02 0.00 0.00 35.03 33.31 3g6e n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g6e s ALA 176 N -1.37 3.35 0.00 7.82 0.00 -1.26 -4.89 121.76 125.40 3g6e s ALA 176 Ca 0.67 0.41 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3g6e s ALA 176 Cb -0.50 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3g6e s ALA 176 CO 0.54 0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.96 3g6e n GLY 177 N 1.07 1.61 0.00 0.00 0.00 -1.26 -4.73 105.19 101.88 3g6e n GLY 177 Ca -0.02 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3g6e n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g6e n GLN 178 N 2.00 0.29 0.26 1.61 6.02 -1.26 -3.35 117.38 122.95 3g6e n GLN 178 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.12 3g6e n GLN 178 Cb 0.00 -1.05 0.67 0.00 1.02 0.00 0.00 30.24 30.88 3g6e n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3g6e h GLY 179 N 1.71 0.00 0.52 1.08 0.00 -1.85 -2.77 103.07 101.76 3g6e h GLY 179 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 3g6e h GLY 179 CO 0.00 0.00 0.28 0.23 0.00 0.00 0.00 176.54 177.05 3g6e h SER 180 N 0.00 0.35 0.67 0.19 0.87 -1.69 -0.81 113.55 113.13 3g6e h SER 180 Ca -0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3g6e h SER 180 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3g6e h SER 180 CO 0.02 0.22 0.00 0.00 -0.53 0.00 0.00 176.83 176.54 3g6e h ALA 181 N 1.38 1.00 -0.30 6.23 0.00 -1.79 -2.65 119.26 123.12 3g6e h ALA 181 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3g6e h ALA 181 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3g6e h ALA 181 CO -0.25 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.54 3g6e n ARG 182 N -2.50 2.18 -0.07 0.00 1.74 -0.42 -4.97 116.66 112.63 3g6e n ARG 182 Ca 0.01 -2.01 0.00 0.00 -0.77 0.00 0.00 57.85 55.08 3g6e n ARG 182 Cb 0.22 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 3g6e n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g6e n GLY 183 N 1.12 0.66 2.63 -0.13 0.00 -1.00 -4.99 105.19 103.47 3g6e n GLY 183 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3g6e n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g6e n ARG 184 N -2.02 3.03 -0.09 1.61 1.74 -0.58 -4.76 116.66 115.60 3g6e n ARG 184 Ca 0.00 -3.86 -0.12 0.00 -0.77 0.00 0.00 57.85 53.09 3g6e n ARG 184 Cb 0.00 -2.27 -0.05 0.00 -1.02 0.00 0.00 32.46 29.13 3g6e n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3g6e h LYS 185 N 2.67 0.57 -6.20 5.56 3.64 -1.78 -3.35 116.57 117.68 3g6e h LYS 185 Ca 0.47 -0.26 -0.50 0.00 -1.27 0.00 0.00 60.65 59.09 3g6e h LYS 185 Cb 0.54 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 3g6e h LYS 185 CO 1.21 0.84 -0.49 0.71 -2.27 0.00 0.00 179.45 179.45 3g6e s TYR 186 N -4.52 2.99 0.03 1.91 1.51 -1.26 -1.53 117.35 116.48 3g6e s TYR 186 Ca -0.13 -0.21 -0.27 0.00 -1.01 0.00 0.00 57.07 55.44 3g6e s TYR 186 Cb 0.08 -1.59 0.08 0.00 -0.11 0.00 0.00 41.96 40.41 3g6e s TYR 186 CO 0.79 0.36 0.72 -0.98 -1.11 0.00 0.00 175.55 175.32 3g6e s ARG 187 N -3.91 1.05 0.07 -0.62 1.70 -1.02 -4.94 118.95 111.29 3g6e s ARG 187 Ca 0.37 -0.12 -0.10 0.00 -0.47 0.00 0.00 55.73 55.41 3g6e s ARG 187 Cb -0.07 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 3g6e s ARG 187 CO 0.26 -0.41 0.21 -0.98 -1.08 0.00 0.00 175.30 173.30 3g6e s ARG 188 N -2.47 0.81 0.64 3.89 1.70 -1.26 -0.68 118.95 121.58 3g6e s ARG 188 Ca -0.03 -0.82 -0.17 0.00 -0.47 0.00 0.00 55.73 54.24 3g6e s ARG 188 Cb -0.01 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.70 3g6e s ARG 188 CO -0.03 -0.26 1.23 -2.14 -1.08 0.00 0.00 175.30 173.02 3g6e s PRO 189 N -3.39 2.65 -0.11 3.89 0.02 -1.26 -4.98 135.00 131.81 3g6e s PRO 189 Ca 0.01 1.85 -0.23 0.00 0.02 0.00 0.00 61.00 62.65 3g6e s PRO 189 Cb 0.03 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 3g6e s PRO 189 CO -0.08 -1.47 0.71 0.00 -0.33 0.00 0.00 177.00 175.83 3g6e s ALA 190 N -1.67 3.40 0.00 -1.55 0.00 -1.26 -4.39 121.76 116.29 3g6e s ALA 190 Ca 0.78 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3g6e s ALA 190 Cb -0.31 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3g6e s ALA 190 CO 0.38 -0.27 0.00 -1.13 0.00 0.00 0.00 175.76 174.74 3g6e n SER 191 N 4.24 0.00 -4.76 0.00 3.41 0.11 -4.95 113.62 111.68 3g6e n SER 191 Ca -0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 3g6e n SER 191 Cb 0.51 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.40 3g6e n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3g6e s ILE 192 N 3.09 4.70 -0.13 -1.33 1.01 -1.26 -4.51 121.20 122.76 3g6e s ILE 192 Ca 0.00 1.55 -0.12 0.00 0.00 0.00 0.00 60.65 62.08 3g6e s ILE 192 Cb 0.00 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 3g6e s ILE 192 CO 0.00 0.41 0.26 -0.22 0.00 0.00 0.00 174.94 175.40 3g6e s LEU 193 N -0.34 4.31 -0.30 2.97 2.96 -0.81 -1.66 118.68 125.81 3g6e s LEU 193 Ca 0.36 0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 54.79 3g6e s LEU 193 Cb -0.20 -2.31 0.04 0.00 0.50 0.00 0.00 46.19 44.21 3g6e s LEU 193 CO 0.22 0.22 0.01 -0.36 -1.32 0.00 0.00 176.35 175.12 3g6e s PHE 194 N -0.14 3.21 -0.28 5.38 0.40 0.37 -1.27 117.98 125.64 3g6e s PHE 194 Ca 0.16 -1.65 -0.10 0.00 -0.60 0.00 0.00 56.93 54.74 3g6e s PHE 194 Cb -0.13 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 3g6e s PHE 194 CO 0.05 -0.76 0.16 0.08 0.70 0.00 0.00 175.22 175.45 3g6e s VAL 195 N 1.32 4.93 0.00 -0.44 1.01 -0.01 -0.36 120.40 126.85 3g6e s VAL 195 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3g6e s VAL 195 Cb -0.19 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3g6e s VAL 195 CO -0.01 0.23 0.00 0.35 0.00 0.00 0.00 175.10 175.67 3g6e n THR 196 N 5.02 0.00 -0.00 3.92 -2.24 -0.17 -2.22 114.28 118.59 3g6e n THR 196 Ca -0.14 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3g6e n THR 196 Cb 0.51 -0.44 -0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3g6e n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3g6e n SER 197 N -1.24 1.77 -0.07 3.42 2.88 -1.26 -1.55 113.62 117.57 3g6e n SER 197 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 3g6e n SER 197 Cb 0.00 -0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 3g6e n SER 197 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3g6e h ASP 198 N -0.00 0.00 -4.62 -3.46 3.32 -1.99 -3.43 116.42 106.23 3g6e h ASP 198 Ca -0.00 -0.06 -0.26 0.00 0.02 0.00 0.00 57.03 56.73 3g6e h ASP 198 Cb 1.00 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.33 3g6e h ASP 198 CO -0.00 0.73 -0.73 -1.61 -1.72 0.00 0.00 179.24 175.91 3g6e s GLU 199 N -2.04 0.45 0.41 3.56 2.02 -1.26 -5.09 118.70 116.76 3g6e s GLU 199 Ca -0.11 -0.61 -0.26 0.00 0.02 0.00 0.00 54.97 54.01 3g6e s GLU 199 Cb 0.02 -0.23 -0.09 0.00 0.10 0.00 0.00 34.13 33.93 3g6e s GLU 199 CO 0.19 0.04 1.35 -2.14 0.02 0.00 0.00 175.26 174.72 3g6e s PRO 200 N -1.26 3.91 -0.52 0.39 0.02 -1.26 -4.80 135.00 131.48 3g6e s PRO 200 Ca -0.09 2.26 -0.26 0.00 0.02 0.00 0.00 61.00 62.93 3g6e s PRO 200 Cb -0.08 -2.75 -0.08 0.00 0.02 0.00 0.00 34.50 31.60 3g6e s PRO 200 CO 0.00 -0.57 2.44 0.45 -0.33 0.00 0.00 177.00 178.98 3g6e n SER 201 N 0.09 2.20 0.22 2.53 2.88 -1.26 -4.81 113.62 115.47 3g6e n SER 201 Ca 0.04 -0.50 0.06 0.00 -1.33 0.00 0.00 58.87 57.14 3g6e n SER 201 Cb 0.43 -1.55 0.51 0.00 -0.75 0.00 0.00 64.21 62.84 3g6e n SER 201 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3g6e h THR 202 N 7.73 1.09 -0.11 2.46 2.02 -1.88 -2.08 112.91 122.13 3g6e h THR 202 Ca -0.23 -0.70 -0.18 0.00 0.77 0.00 0.00 66.41 66.07 3g6e h THR 202 Cb 1.27 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 69.06 3g6e h THR 202 CO 1.17 0.20 -0.67 0.00 0.37 0.00 0.00 175.52 176.58 3g6e h ALA 203 N 1.80 0.62 0.00 6.16 0.00 -1.78 -3.33 119.26 122.72 3g6e h ALA 203 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3g6e h ALA 203 Cb 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3g6e h ALA 203 CO 0.03 0.73 -1.41 0.00 0.00 0.00 0.00 179.25 178.60 3g6e n ALA 204 N -2.52 2.65 -0.30 0.00 0.00 -1.00 -3.95 120.51 115.39 3g6e n ALA 204 Ca -0.04 -0.35 0.18 0.00 0.00 0.00 0.00 53.44 53.23 3g6e n ALA 204 Cb 0.67 -0.96 0.45 0.00 0.00 0.00 0.00 19.45 19.62 3g6e n ALA 204 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3g6e h ARG 205 N 0.00 0.50 -0.00 0.00 0.11 -1.50 -1.78 114.38 111.72 3g6e h ARG 205 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 3g6e h ARG 205 Cb 1.00 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.96 3g6e h ARG 205 CO 0.00 0.33 -0.00 -1.71 0.10 0.00 0.00 179.97 178.69 3g6e n ASN 206 N -4.62 0.35 -4.76 0.08 5.15 -1.26 -4.71 115.26 105.47 3g6e n ASN 206 Ca 0.22 -1.10 -0.41 0.00 -0.60 0.00 0.00 54.58 52.69 3g6e n ASN 206 Cb 0.71 -0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.93 3g6e n ASN 206 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3g6e s LEU 207 N -2.01 4.43 -0.31 1.20 1.43 -0.67 -4.86 118.68 117.88 3g6e s LEU 207 Ca 0.45 2.65 -0.36 0.00 -1.03 0.00 0.00 54.13 55.84 3g6e s LEU 207 Cb 0.22 -3.64 -0.12 0.00 0.03 0.00 0.00 46.19 42.67 3g6e s LEU 207 CO 0.36 -0.54 2.08 0.00 0.23 0.00 0.00 176.35 178.48 3g6e n ALA 208 N 1.13 0.81 -0.81 4.21 0.00 -1.26 -1.35 120.51 123.24 3g6e n ALA 208 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3g6e n ALA 208 Cb 0.42 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.40 3g6e n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g6e n GLY 209 N 5.92 1.13 3.78 0.00 0.00 -1.26 -4.59 105.19 110.17 3g6e n GLY 209 Ca 0.37 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 3g6e n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6e s ALA 210 N -3.54 3.03 -0.03 4.61 0.00 -0.45 -0.71 121.76 124.67 3g6e s ALA 210 Ca 0.00 0.72 0.04 0.00 0.00 0.00 0.00 51.96 52.72 3g6e s ALA 210 Cb 0.00 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 3g6e s ALA 210 CO 0.00 -0.30 -0.15 -0.51 0.00 0.00 0.00 175.76 174.80 3g6e s ASP 211 N -1.60 1.83 -0.01 0.00 1.01 -0.67 -4.86 116.67 112.38 3g6e s ASP 211 Ca 0.60 -0.29 0.03 0.00 0.71 0.00 0.00 52.55 53.60 3g6e s ASP 211 Cb -0.22 -0.44 -0.03 0.00 1.01 0.00 0.00 42.92 43.24 3g6e s ASP 211 CO 0.27 0.14 -0.06 0.68 0.21 0.00 0.00 175.17 176.41 3g6e s VAL 212 N -0.01 3.71 0.25 -1.27 -7.23 -1.26 -0.48 120.40 114.11 3g6e s VAL 212 Ca -0.01 -0.72 -0.11 0.00 -1.81 0.00 0.00 61.98 59.33 3g6e s VAL 212 Cb -0.09 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 3g6e s VAL 212 CO 0.01 0.42 0.45 0.00 -0.31 0.00 0.00 175.10 175.67 3g6e s ALA 213 N -0.98 -0.04 0.01 1.32 0.00 0.52 -4.91 121.76 117.67 3g6e s ALA 213 Ca 0.17 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.20 3g6e s ALA 213 Cb -0.11 1.10 -0.02 0.00 0.00 0.00 0.00 23.12 24.09 3g6e s ALA 213 CO 0.07 -0.83 -0.24 0.99 0.00 0.00 0.00 175.76 175.75 3g6e s THR 214 N -3.92 1.91 0.23 0.00 2.01 -1.26 -0.99 115.64 113.62 3g6e s THR 214 Ca 0.24 -1.15 0.33 0.00 0.31 0.00 0.00 61.69 61.42 3g6e s THR 214 Cb -0.00 -1.61 0.33 0.00 0.01 0.00 0.00 72.50 71.22 3g6e s THR 214 CO 0.10 0.43 2.00 0.00 -0.69 0.00 0.00 174.62 176.46 3g6e h ALA 215 N 5.23 1.01 0.00 7.40 0.00 -1.56 0.13 119.26 131.47 3g6e h ALA 215 Ca -0.43 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 3g6e h ALA 215 Cb 1.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3g6e h ALA 215 CO 0.46 -0.01 -0.93 0.66 0.00 0.00 0.00 179.25 179.43 3g6e h SER 216 N 0.00 0.00 0.00 0.00 4.64 -1.88 -3.40 113.55 112.91 3g6e h SER 216 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g6e h SER 216 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3g6e h SER 216 CO 0.00 0.57 0.00 -1.84 -0.87 0.00 0.00 176.83 174.69 3g6e n GLU 217 N -3.09 1.14 -1.73 4.77 0.28 -0.87 -5.05 120.64 116.10 3g6e n GLU 217 Ca -0.03 -0.88 -0.42 0.00 -0.16 0.00 0.00 57.16 55.67 3g6e n GLU 217 Cb 0.80 -0.80 -0.03 0.00 1.43 0.00 0.00 31.44 32.83 3g6e n GLU 217 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3g6e s VAL 218 N -0.44 3.01 0.27 3.84 0.11 0.39 -4.92 120.40 122.67 3g6e s VAL 218 Ca 0.00 0.13 0.04 0.00 -2.93 0.00 0.00 61.98 59.23 3g6e s VAL 218 Cb 0.00 -3.09 0.04 0.00 -1.53 0.00 0.00 36.38 31.81 3g6e s VAL 218 CO 0.00 -0.01 0.36 -0.46 -3.33 0.00 0.00 175.10 171.66 3g6e n ASN 219 N 7.11 1.05 0.03 3.54 0.23 -1.26 -5.01 115.26 120.95 3g6e n ASN 219 Ca 0.19 -1.73 -0.01 0.00 -0.53 0.00 0.00 54.58 52.50 3g6e n ASN 219 Cb 0.41 -0.19 0.26 0.00 -2.08 0.00 0.00 39.78 38.18 3g6e n ASN 219 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3g6e h THR 220 N 0.09 1.24 -0.05 5.53 2.02 -1.91 -2.79 112.91 117.04 3g6e h THR 220 Ca -0.13 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 3g6e h THR 220 Cb 0.58 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3g6e h THR 220 CO 0.19 0.34 0.00 -0.33 0.37 0.00 0.00 175.52 176.09 3g6e h GLU 221 N 0.40 0.09 0.00 6.66 5.08 -1.91 0.32 114.58 125.23 3g6e h GLU 221 Ca 0.07 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3g6e h GLU 221 Cb 0.54 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3g6e h GLU 221 CO 0.03 0.35 -0.17 0.38 -1.00 0.00 0.00 179.01 178.61 3g6e h ASP 222 N -0.18 0.00 0.71 1.42 3.04 -1.97 -1.33 116.42 118.12 3g6e h ASP 222 Ca 0.02 0.00 -0.26 0.00 -3.24 0.00 0.00 57.03 53.55 3g6e h ASP 222 Cb 0.31 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.58 3g6e h ASP 222 CO 0.00 0.17 -1.29 0.25 -2.04 0.00 0.00 179.24 176.33 3g6e h LEU 223 N 0.00 0.17 -5.96 0.15 5.85 -1.42 -3.41 115.31 110.70 3g6e h LEU 223 Ca -0.00 -0.22 -0.49 0.00 0.84 0.00 0.00 57.88 58.01 3g6e h LEU 223 Cb 0.84 -0.06 -0.33 0.00 0.37 0.00 0.00 40.66 41.48 3g6e h LEU 223 CO 0.02 1.18 -0.90 0.00 -0.34 0.00 0.00 178.44 178.40 3g6e n ALA 224 N -2.50 1.69 -1.68 1.25 0.00 0.11 -3.62 120.51 115.77 3g6e n ALA 224 Ca -0.08 -2.73 -0.43 0.00 0.00 0.00 0.00 53.44 50.20 3g6e n ALA 224 Cb 1.00 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 3g6e n ALA 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3g6e n PRO 225 N 2.40 2.78 -1.01 0.00 -0.04 -0.51 -1.51 135.00 137.11 3g6e n PRO 225 Ca 0.24 1.02 -0.00 0.00 -0.04 0.00 0.00 63.50 64.71 3g6e n PRO 225 Cb 0.52 -2.92 -0.00 0.00 -0.04 0.00 0.00 33.50 31.05 3g6e n PRO 225 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g6e n GLY 226 N 4.32 0.47 2.05 0.55 0.00 -1.26 -2.97 105.19 108.36 3g6e n GLY 226 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3g6e n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6e n GLY 227 N -2.74 1.13 3.59 -0.02 0.00 -0.57 -5.00 105.19 101.57 3g6e n GLY 227 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3g6e n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6e s ALA 228 N -3.21 3.29 0.68 4.61 0.00 -1.16 -4.24 121.76 121.73 3g6e s ALA 228 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 51.96 51.25 3g6e s ALA 228 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.46 3g6e s ALA 228 CO 0.00 -1.93 1.07 -2.14 0.00 0.00 0.00 175.76 172.76 3g6e s PRO 229 N 3.81 2.90 0.00 0.00 0.02 -1.26 -3.94 135.00 136.53 3g6e s PRO 229 Ca 0.40 1.13 0.00 0.00 0.02 0.00 0.00 61.00 62.55 3g6e s PRO 229 Cb -0.10 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.44 3g6e s PRO 229 CO 0.24 -1.14 0.00 0.41 -0.33 0.00 0.00 177.00 176.18 3g6e n GLY 230 N -1.34 0.78 3.79 0.52 0.00 -1.26 -4.69 105.19 103.00 3g6e n GLY 230 Ca 0.09 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 3g6e n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3g6e s ARG 231 N -2.19 4.31 -0.28 1.61 3.52 -1.24 -4.07 118.95 120.61 3g6e s ARG 231 Ca 0.00 0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 56.14 3g6e s ARG 231 Cb 0.00 -3.27 -0.02 0.00 -1.56 0.00 0.00 34.95 30.10 3g6e s ARG 231 CO 0.00 0.54 1.68 -1.17 -0.81 0.00 0.00 175.30 175.54 3g6e s LEU 232 N -0.83 3.70 0.20 -0.88 2.96 -1.26 -4.71 118.68 117.85 3g6e s LEU 232 Ca 0.31 1.42 0.10 0.00 -0.22 0.00 0.00 54.13 55.74 3g6e s LEU 232 Cb -0.20 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3g6e s LEU 232 CO 0.20 -1.46 -0.20 -0.89 -1.32 0.00 0.00 176.35 172.68 3g6e s THR 233 N 5.93 2.06 -0.08 3.68 2.01 -1.26 -1.92 115.64 126.05 3g6e s THR 233 Ca 0.74 -2.06 0.03 0.00 0.31 0.00 0.00 61.69 60.71 3g6e s THR 233 Cb -0.23 -2.01 0.01 0.00 0.01 0.00 0.00 72.50 70.28 3g6e s THR 233 CO 0.32 -0.30 -0.17 0.68 -0.69 0.00 0.00 174.62 174.46 3g6e s VAL 234 N -2.12 1.49 0.22 3.82 -7.23 -0.40 -2.01 120.40 114.17 3g6e s VAL 234 Ca 0.20 -0.68 0.08 0.00 -1.81 0.00 0.00 61.98 59.77 3g6e s VAL 234 Cb -0.06 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 3g6e s VAL 234 CO 0.09 0.43 0.04 -0.36 -0.31 0.00 0.00 175.10 174.99 3g6e s PHE 235 N 0.59 2.86 0.09 2.82 0.40 0.06 -0.83 117.98 123.97 3g6e s PHE 235 Ca -0.15 -0.15 -0.06 0.00 -0.60 0.00 0.00 56.93 55.97 3g6e s PHE 235 Cb -0.16 -1.33 -0.05 0.00 0.51 0.00 0.00 43.02 41.99 3g6e s PHE 235 CO 0.05 0.55 0.34 0.99 0.70 0.00 0.00 175.22 177.85 3g6e s THR 236 N -2.00 5.20 0.31 0.64 2.01 -0.94 -1.30 115.64 119.56 3g6e s THR 236 Ca 0.30 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.47 3g6e s THR 236 Cb -0.08 -3.62 0.30 0.00 0.01 0.00 0.00 72.50 69.11 3g6e s THR 236 CO 0.20 0.17 1.73 -0.08 -0.69 0.00 0.00 174.62 175.94 3g6e h GLU 237 N 3.26 0.53 0.00 4.92 4.81 -1.66 0.12 114.58 126.57 3g6e h GLU 237 Ca -0.47 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 3g6e h GLU 237 Cb 1.18 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3g6e h GLU 237 CO 0.70 0.35 -0.41 0.77 -0.73 0.00 0.00 179.01 179.70 3g6e h SER 238 N 0.55 0.00 -0.22 1.04 0.02 -1.94 -3.06 113.55 109.94 3g6e h SER 238 Ca 0.60 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.38 3g6e h SER 238 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3g6e h SER 238 CO -0.47 0.41 -0.54 0.00 -1.14 0.00 0.00 176.83 175.08 3g6e h ALA 239 N 1.59 0.36 -0.89 3.77 0.00 -1.14 -1.32 119.26 121.64 3g6e h ALA 239 Ca -0.00 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.42 3g6e h ALA 239 Cb 1.23 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 3g6e h ALA 239 CO 0.05 0.57 0.58 1.25 0.00 0.00 0.00 179.25 181.70 3g6e h LEU 240 N 0.48 0.97 -0.11 0.00 6.46 -0.91 0.26 115.31 122.45 3g6e h LEU 240 Ca -0.01 -0.01 -0.18 0.00 -0.12 0.00 0.00 57.88 57.56 3g6e h LEU 240 Cb 1.15 -0.23 0.01 0.00 -0.73 0.00 0.00 40.66 40.86 3g6e h LEU 240 CO 0.12 0.68 -0.65 0.00 -0.62 0.00 0.00 178.44 177.97 3g6e h ALA 241 N 1.47 0.23 -0.00 1.25 0.00 -1.46 -3.28 119.26 117.48 3g6e h ALA 241 Ca 0.34 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3g6e h ALA 241 Cb -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3g6e h ALA 241 CO -0.10 0.52 -0.59 1.49 0.00 0.00 0.00 179.25 180.57 3g6e h GLU 242 N 0.30 0.00 0.00 0.00 4.81 -0.77 -2.92 114.58 116.00 3g6e h GLU 242 Ca -0.05 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3g6e h GLU 242 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3g6e h GLU 242 CO 0.13 0.59 0.00 1.55 -0.73 0.00 0.00 179.01 180.55 3g6e n VAL 243 N -3.84 0.00 0.12 0.32 3.14 0.04 -3.44 118.33 114.66 3g6e n VAL 243 Ca -0.01 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.16 3g6e n VAL 243 Cb 0.59 -0.55 -0.14 0.00 -1.06 0.00 0.00 33.84 32.68 3g6e n VAL 243 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3g6e h ALA 244 N 3.75 -0.02 -0.31 1.55 0.00 -1.57 -3.31 119.26 119.34 3g6e h ALA 244 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3g6e h ALA 244 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3g6e h ALA 244 CO 0.00 0.78 0.00 0.39 0.00 0.00 0.00 179.25 180.42 3g6e n GLU 245 N -3.68 2.78 0.00 0.00 1.02 -1.22 -4.74 120.64 114.79 3g6e n GLU 245 Ca -0.13 -1.57 0.16 0.00 -0.02 0.00 0.00 57.16 55.60 3g6e n GLU 245 Cb 1.04 -1.77 0.93 0.00 -0.02 0.00 0.00 31.44 31.62 3g6e n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85