#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dp0 s PHE 12 N 0.00 2.89 0.53 1.08 0.40 -0.54 -4.99 117.98 117.36 3dp0 s PHE 12 Ca 0.00 -0.71 0.05 0.00 -0.60 0.00 0.00 56.93 55.67 3dp0 s PHE 12 Cb 0.00 -1.94 0.05 0.00 0.51 0.00 0.00 43.02 41.63 3dp0 s PHE 12 CO 0.00 -0.30 0.74 -0.06 0.70 0.00 0.00 175.22 176.29 3dp0 s PHE 13 N 0.72 2.43 0.29 0.36 0.40 -1.26 -1.20 117.98 119.71 3dp0 s PHE 13 Ca -0.04 -0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 55.98 3dp0 s PHE 13 Cb -0.15 -2.57 0.65 0.00 0.51 0.00 0.00 43.02 41.46 3dp0 s PHE 13 CO 0.02 -0.88 1.60 0.97 0.70 0.00 0.00 175.22 177.63 3dp0 h ILE 14 N 0.20 0.16 -0.89 0.64 6.09 -1.90 0.16 117.51 121.98 3dp0 h ILE 14 Ca -0.39 -0.02 0.11 0.00 -1.37 0.00 0.00 64.86 63.19 3dp0 h ILE 14 Cb 1.29 0.09 -0.07 0.00 0.47 0.00 0.00 36.82 38.59 3dp0 h ILE 14 CO 0.46 0.01 0.57 1.05 -3.07 0.00 0.00 178.15 177.18 3dp0 h GLU 15 N 0.07 0.81 -0.02 2.19 4.11 -1.94 0.18 114.58 119.98 3dp0 h GLU 15 Ca 0.54 -0.05 -0.24 0.00 0.07 0.00 0.00 59.36 59.67 3dp0 h GLU 15 Cb 1.06 -0.18 0.02 0.00 0.50 0.00 0.00 28.75 30.14 3dp0 h GLU 15 CO -0.81 0.54 -0.94 0.45 0.07 0.00 0.00 179.01 178.32 3dp0 h HIS 16 N 0.84 0.99 -0.99 2.06 3.86 -1.09 -2.87 115.15 117.94 3dp0 h HIS 16 Ca 0.42 -0.52 0.07 0.00 -1.16 0.00 0.00 60.37 59.18 3dp0 h HIS 16 Cb 0.48 -0.12 -0.07 0.00 1.06 0.00 0.00 27.41 28.76 3dp0 h HIS 16 CO -0.00 1.36 0.64 0.82 0.86 0.00 0.00 177.93 181.60 3dp0 h ILE 17 N 0.35 1.06 0.00 2.45 2.04 -0.31 0.07 117.51 123.16 3dp0 h ILE 17 Ca -0.11 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 3dp0 h ILE 17 Cb 1.59 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3dp0 h ILE 17 CO 0.19 0.21 -0.26 -0.07 0.00 0.00 0.00 178.15 178.21 3dp0 h LEU 18 N 1.13 0.00 -0.15 1.44 3.38 -0.60 -1.02 115.31 119.50 3dp0 h LEU 18 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3dp0 h LEU 18 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3dp0 h LEU 18 CO -0.19 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.60 3dp0 n GLN 19 N -4.14 0.14 -0.04 1.13 6.02 -0.01 -4.28 117.38 116.20 3dp0 n GLN 19 Ca -0.02 0.20 -0.08 0.00 -0.01 0.00 0.00 57.00 57.10 3dp0 n GLN 19 Cb 0.32 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 3dp0 n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3dp0 n ILE 20 N -1.94 0.42 -2.76 5.09 2.08 -0.83 -4.42 119.36 117.00 3dp0 n ILE 20 Ca 0.05 -0.12 -0.40 0.00 0.56 0.00 0.00 62.75 62.85 3dp0 n ILE 20 Cb 0.33 -1.44 -0.06 0.00 -0.75 0.00 0.00 39.64 37.71 3dp0 n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3dp0 s LEU 21 N -6.22 4.62 0.47 1.39 1.43 -0.45 -4.82 118.68 115.10 3dp0 s LEU 21 Ca -0.10 1.93 0.26 0.00 -1.03 0.00 0.00 54.13 55.19 3dp0 s LEU 21 Cb 0.04 -3.64 0.66 0.00 0.03 0.00 0.00 46.19 43.28 3dp0 s LEU 21 CO 0.14 0.14 1.73 1.55 0.23 0.00 0.00 176.35 180.14 3dp0 h PRO 22 N 4.05 0.00 -6.95 1.29 0.13 -1.88 -3.44 132.00 125.20 3dp0 h PRO 22 Ca -0.45 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.14 3dp0 h PRO 22 Cb 1.20 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.44 3dp0 h PRO 22 CO 0.68 0.00 0.74 -1.01 -0.23 0.00 0.00 178.00 178.17 3dp0 s HIS 23 N -3.35 2.59 0.37 1.56 3.76 -1.26 -5.04 115.29 113.92 3dp0 s HIS 23 Ca 0.05 1.23 0.05 0.00 -0.15 0.00 0.00 55.06 56.24 3dp0 s HIS 23 Cb 0.06 -3.95 -0.03 0.00 1.11 0.00 0.00 32.58 29.78 3dp0 s HIS 23 CO 0.63 -2.84 0.19 1.03 -0.85 0.00 0.00 174.74 172.90 3dp0 s ARG 24 N -2.19 1.83 0.37 1.40 1.81 -1.26 -4.68 118.95 116.23 3dp0 s ARG 24 Ca 0.55 -2.09 -0.28 0.00 -1.72 0.00 0.00 55.73 52.18 3dp0 s ARG 24 Cb -0.45 -0.18 -0.11 0.00 -0.45 0.00 0.00 34.95 33.76 3dp0 s ARG 24 CO 0.60 -0.55 1.51 -0.47 -0.68 0.00 0.00 175.30 175.70 3dp0 s TYR 25 N -3.34 2.58 -0.53 -0.53 6.14 -1.26 -0.12 117.35 120.29 3dp0 s TYR 25 Ca 0.31 1.10 0.01 0.00 0.64 0.00 0.00 57.07 59.14 3dp0 s TYR 25 Cb 0.03 -4.05 0.55 0.00 0.42 0.00 0.00 41.96 38.91 3dp0 s TYR 25 CO 0.20 -3.13 1.95 -0.35 0.64 0.00 0.00 175.55 174.86 3dp0 n PRO 26 N 0.67 2.39 -0.09 4.97 -0.04 -1.26 -4.91 135.00 136.74 3dp0 n PRO 26 Ca 0.02 -3.02 0.03 0.00 -0.04 0.00 0.00 63.50 60.49 3dp0 n PRO 26 Cb 0.39 -2.19 0.08 0.00 -0.04 0.00 0.00 33.50 31.74 3dp0 n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3dp0 n MET 27 N -0.98 2.79 -3.25 0.54 2.81 0.83 -4.90 117.12 114.95 3dp0 n MET 27 Ca 0.59 -1.86 -0.45 0.00 -1.81 0.00 0.00 57.70 54.17 3dp0 n MET 27 Cb 1.21 -1.19 -0.05 0.00 -0.71 0.00 0.00 33.22 32.48 3dp0 n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3dp0 s LEU 28 N -1.30 5.80 -0.40 4.03 2.96 -0.95 -4.67 118.68 124.16 3dp0 s LEU 28 Ca 0.13 -1.57 0.05 0.00 -0.22 0.00 0.00 54.13 52.52 3dp0 s LEU 28 Cb 0.09 -2.25 0.59 0.00 0.50 0.00 0.00 46.19 45.12 3dp0 s LEU 28 CO 0.06 -0.92 1.74 0.18 -1.32 0.00 0.00 176.35 176.09 3dp0 n LEU 29 N 5.63 5.77 -3.96 -0.68 4.77 -1.26 -4.89 117.00 122.38 3dp0 n LEU 29 Ca -0.12 -3.74 -0.25 0.00 -0.03 0.00 0.00 56.01 51.87 3dp0 n LEU 29 Cb 0.41 -0.76 -0.17 0.00 -2.33 0.00 0.00 43.42 40.58 3dp0 n LEU 29 CO 0.55 1.18 -0.45 -0.69 -1.33 0.00 0.00 177.39 176.65 3dp0 s VAL 30 N -3.39 1.00 -0.18 4.08 1.01 -1.26 -4.59 120.40 117.07 3dp0 s VAL 30 Ca 0.53 -0.36 0.18 0.00 0.00 0.00 0.00 61.98 62.33 3dp0 s VAL 30 Cb 0.45 -0.97 -0.25 0.00 0.00 0.00 0.00 36.38 35.61 3dp0 s VAL 30 CO 0.06 0.34 0.15 0.47 0.00 0.00 0.00 175.10 176.11 3dp0 n ASP 31 N 4.23 0.07 -3.51 3.32 10.43 -0.22 -4.95 116.55 125.91 3dp0 n ASP 31 Ca -0.20 0.03 -0.17 0.00 2.57 0.00 0.00 54.79 57.02 3dp0 n ASP 31 Cb 0.51 0.97 -0.06 0.00 1.84 0.00 0.00 41.12 44.39 3dp0 n ASP 31 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3dp0 s ARG 32 N -2.56 1.06 -0.22 -1.24 3.52 -1.06 -2.91 118.95 115.54 3dp0 s ARG 32 Ca -0.09 0.21 -0.03 0.00 -0.13 0.00 0.00 55.73 55.69 3dp0 s ARG 32 Cb 0.07 0.50 0.00 0.00 -1.56 0.00 0.00 34.95 33.96 3dp0 s ARG 32 CO 0.83 -0.34 -0.07 0.42 -0.81 0.00 0.00 175.30 175.33 3dp0 s ILE 33 N -1.35 3.04 -0.13 4.11 -1.09 -0.34 -1.84 121.20 123.60 3dp0 s ILE 33 Ca -0.10 -0.68 0.15 0.00 -2.23 0.00 0.00 60.65 57.80 3dp0 s ILE 33 Cb -0.00 -2.40 -0.24 0.00 -1.58 0.00 0.00 42.46 38.24 3dp0 s ILE 33 CO 0.08 0.40 0.32 0.35 -1.23 0.00 0.00 174.94 174.86 3dp0 n THR 34 N 4.74 1.49 -4.02 2.92 -2.24 -0.57 -1.46 114.28 115.14 3dp0 n THR 34 Ca -0.18 -0.83 -0.15 0.00 -2.27 0.00 0.00 64.05 60.62 3dp0 n THR 34 Cb 0.50 -0.73 -0.15 0.00 -2.10 0.00 0.00 70.33 67.85 3dp0 n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dp0 s GLU 35 N -2.54 0.30 -0.08 -0.78 2.02 -0.84 -4.65 118.70 112.13 3dp0 s GLU 35 Ca -0.08 -0.06 -0.03 0.00 0.02 0.00 0.00 54.97 54.81 3dp0 s GLU 35 Cb 0.07 -0.34 0.05 0.00 0.10 0.00 0.00 34.13 34.00 3dp0 s GLU 35 CO 0.82 0.01 0.17 -1.17 0.02 0.00 0.00 175.26 175.11 3dp0 s LEU 36 N 0.26 0.14 -0.32 1.80 2.96 -1.26 -1.70 118.68 120.56 3dp0 s LEU 36 Ca -0.02 0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 54.23 3dp0 s LEU 36 Cb -0.05 0.35 0.11 0.00 0.50 0.00 0.00 46.19 47.10 3dp0 s LEU 36 CO -0.01 -0.21 0.13 -1.10 -1.32 0.00 0.00 176.35 173.84 3dp0 s GLN 37 N 1.96 0.66 0.00 1.98 -0.21 -0.54 -5.02 119.66 118.48 3dp0 s GLN 37 Ca -0.01 -1.09 -0.31 0.00 0.02 0.00 0.00 55.36 53.98 3dp0 s GLN 37 Cb -0.12 -1.82 -0.15 0.00 1.00 0.00 0.00 33.01 31.92 3dp0 s GLN 37 CO -0.06 -1.03 0.82 0.00 -2.12 0.00 0.00 175.29 172.90 3dp0 n ALA 38 N 4.73 -2.93 -1.52 6.09 0.00 -1.26 -0.45 120.51 125.17 3dp0 n ALA 38 Ca -0.01 0.46 -0.18 0.00 0.00 0.00 0.00 53.44 53.71 3dp0 n ALA 38 Cb 0.41 -1.36 -0.08 0.00 0.00 0.00 0.00 19.45 18.42 3dp0 n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dp0 n ASN 39 N 1.17 -5.05 0.05 0.00 5.03 -1.26 -4.74 115.26 110.45 3dp0 n ASN 39 Ca 0.15 0.45 0.00 0.00 0.87 0.00 0.00 54.58 56.06 3dp0 n ASN 39 Cb 0.07 -4.43 0.00 0.00 -1.02 0.00 0.00 39.78 34.40 3dp0 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3dp0 n GLN 40 N -2.12 0.00 -3.78 3.52 6.02 0.41 -4.77 117.38 116.66 3dp0 n GLN 40 Ca -0.18 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.76 3dp0 n GLN 40 Cb 0.62 -0.11 -0.02 0.00 1.02 0.00 0.00 30.24 31.76 3dp0 n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3dp0 s LYS 41 N -1.46 1.38 -0.15 -1.09 -2.85 -0.93 -0.89 119.74 113.76 3dp0 s LYS 41 Ca 0.00 -0.76 -0.13 0.00 -1.00 0.00 0.00 55.97 54.09 3dp0 s LYS 41 Cb 0.00 0.47 0.04 0.00 -2.06 0.00 0.00 37.83 36.28 3dp0 s LYS 41 CO 0.00 -0.63 0.38 -1.50 0.10 0.00 0.00 175.35 173.70 3dp0 s ILE 42 N -3.48 -0.00 -0.12 3.79 2.07 -0.08 -1.47 121.20 121.90 3dp0 s ILE 42 Ca 0.12 0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.40 3dp0 s ILE 42 Cb -0.03 -0.54 0.01 0.00 0.13 0.00 0.00 42.46 42.03 3dp0 s ILE 42 CO 0.04 0.01 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.16 3dp0 s VAL 43 N 0.36 2.01 0.30 4.00 1.01 -0.69 -1.70 120.40 125.69 3dp0 s VAL 43 Ca -0.01 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 3dp0 s VAL 43 Cb -0.03 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.58 3dp0 s VAL 43 CO -0.01 0.54 0.40 0.00 0.00 0.00 0.00 175.10 176.03 3dp0 n ALA 44 N 3.89 -0.20 -3.72 5.51 0.00 0.20 -1.50 120.51 124.69 3dp0 n ALA 44 Ca -0.20 -1.40 -0.08 0.00 0.00 0.00 0.00 53.44 51.76 3dp0 n ALA 44 Cb 0.52 1.13 -0.02 0.00 0.00 0.00 0.00 19.45 21.08 3dp0 n ALA 44 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3dp0 s TYR 45 N -3.23 -0.30 -0.01 0.00 1.13 -0.76 0.17 117.35 114.35 3dp0 s TYR 45 Ca 0.25 -0.08 0.00 0.00 -1.41 0.00 0.00 57.07 55.84 3dp0 s TYR 45 Cb -0.01 0.66 0.01 0.00 -1.10 0.00 0.00 41.96 41.53 3dp0 s TYR 45 CO 0.18 -1.10 -0.00 0.21 -2.51 0.00 0.00 175.55 172.33 3dp0 s LYS 46 N -3.84 0.12 0.32 -3.49 2.20 -0.31 -1.06 119.74 113.69 3dp0 s LYS 46 Ca 0.08 0.03 -0.21 0.00 -0.36 0.00 0.00 55.97 55.51 3dp0 s LYS 46 Cb -0.04 -0.22 -0.10 0.00 -1.51 0.00 0.00 37.83 35.96 3dp0 s LYS 46 CO 0.00 -0.05 0.85 -0.80 -0.36 0.00 0.00 175.35 174.99 3dp0 s ASN 47 N 0.45 7.07 -0.20 1.43 0.01 -1.26 -1.22 114.94 121.22 3dp0 s ASN 47 Ca -0.04 1.59 -0.02 0.00 -0.71 0.00 0.00 52.86 53.68 3dp0 s ASN 47 Cb -0.06 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 39.10 3dp0 s ASN 47 CO -0.01 -0.13 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.73 3dp0 s ILE 48 N -1.79 3.13 0.12 0.60 -1.09 -0.36 -4.92 121.20 116.89 3dp0 s ILE 48 Ca 0.52 -0.59 0.05 0.00 -2.23 0.00 0.00 60.65 58.40 3dp0 s ILE 48 Cb -0.14 -2.39 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 3dp0 s ILE 48 CO 0.19 0.46 -0.13 0.28 -1.23 0.00 0.00 174.94 174.52 3dp0 s THR 49 N 1.21 1.22 0.44 2.92 -1.32 -1.26 -0.01 115.64 118.84 3dp0 s THR 49 Ca 0.02 -1.76 0.17 0.00 -1.21 0.00 0.00 61.69 58.91 3dp0 s THR 49 Cb -0.14 -1.54 0.20 0.00 -1.51 0.00 0.00 72.50 69.50 3dp0 s THR 49 CO -0.03 -0.50 2.00 0.15 -2.21 0.00 0.00 174.62 174.03 3dp0 h PHE 50 N 3.40 0.00 0.00 9.09 3.57 -1.96 -3.21 116.94 127.83 3dp0 h PHE 50 Ca -0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.11 3dp0 h PHE 50 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3dp0 h PHE 50 CO 0.65 0.18 0.00 -1.71 -2.23 0.00 0.00 178.31 175.20 3dp0 n ASN 51 N -4.18 0.73 -4.63 0.41 4.05 -1.26 -4.73 115.26 105.64 3dp0 n ASN 51 Ca -0.02 -0.71 -0.34 0.00 0.45 0.00 0.00 54.58 53.95 3dp0 n ASN 51 Cb 0.25 -0.18 -0.10 0.00 1.23 0.00 0.00 39.78 40.98 3dp0 n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3dp0 s GLU 52 N -0.14 3.07 0.45 1.20 2.02 -1.21 -5.01 118.70 119.07 3dp0 s GLU 52 Ca 0.00 -0.46 0.10 0.00 0.02 0.00 0.00 54.97 54.64 3dp0 s GLU 52 Cb 0.00 -2.78 1.01 0.00 0.10 0.00 0.00 34.13 32.46 3dp0 s GLU 52 CO 0.00 0.61 2.09 0.22 0.02 0.00 0.00 175.26 178.19 3dp0 h ASP 53 N 5.48 0.31 -0.18 -0.19 3.58 -1.94 -2.55 116.42 120.92 3dp0 h ASP 53 Ca -0.47 -0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.03 3dp0 h ASP 53 Cb 1.19 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 3dp0 h ASP 53 CO 0.56 0.22 0.20 1.62 -2.88 0.00 0.00 179.24 178.96 3dp0 h VAL 54 N 0.36 0.48 0.00 2.25 3.04 -1.95 -1.60 116.25 118.83 3dp0 h VAL 54 Ca 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 3dp0 h VAL 54 Cb -0.01 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.11 3dp0 h VAL 54 CO -0.02 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.03 3dp0 n PHE 55 N -3.82 0.26 0.25 3.17 3.01 -0.96 -2.82 117.46 116.55 3dp0 n PHE 55 Ca 0.02 0.09 0.12 0.00 1.01 0.00 0.00 57.45 58.68 3dp0 n PHE 55 Cb 0.32 -0.64 0.63 0.00 -0.01 0.00 0.00 39.48 39.78 3dp0 n PHE 55 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3dp0 h ASN 56 N 0.00 0.00 0.00 4.37 2.35 -1.48 -3.24 115.58 117.58 3dp0 h ASN 56 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dp0 h ASN 56 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3dp0 h ASN 56 CO 0.00 0.16 0.00 0.61 -1.65 0.00 0.00 177.43 176.55 3dp0 n GLY 57 N -0.38 1.13 2.26 2.83 0.00 -1.16 -4.25 105.19 105.62 3dp0 n GLY 57 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 3dp0 n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3dp0 n HIS 58 N -0.32 -0.74 -4.45 1.61 -0.00 -1.13 -4.57 115.22 105.63 3dp0 n HIS 58 Ca 0.00 -3.34 -0.21 0.00 -0.00 0.00 0.00 57.72 54.17 3dp0 n HIS 58 Cb 0.28 -0.11 -0.11 0.00 -0.00 0.00 0.00 29.99 30.05 3dp0 n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3dp0 s PHE 59 N -0.96 1.96 0.31 1.57 0.40 0.55 -1.36 117.98 120.45 3dp0 s PHE 59 Ca 0.35 -0.94 -0.30 0.00 -0.60 0.00 0.00 56.93 55.44 3dp0 s PHE 59 Cb 0.18 -1.27 -0.12 0.00 0.51 0.00 0.00 43.02 42.33 3dp0 s PHE 59 CO -0.13 0.03 1.57 -2.30 0.70 0.00 0.00 175.22 175.09 3dp0 n PRO 60 N -0.67 2.68 -0.79 0.24 -0.02 -1.26 -1.63 135.00 133.54 3dp0 n PRO 60 Ca -0.03 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3dp0 n PRO 60 Cb 0.66 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3dp0 n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3dp0 n ASN 61 N 1.82 -2.67 -3.03 2.55 4.13 -1.26 -4.82 115.26 111.98 3dp0 n ASN 61 Ca 0.07 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.25 3dp0 n ASN 61 Cb 0.37 -2.49 -0.02 0.00 -1.54 0.00 0.00 39.78 36.10 3dp0 n ASN 61 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3dp0 s LYS 62 N -1.22 0.94 -0.06 3.52 2.20 -0.65 -5.13 119.74 119.35 3dp0 s LYS 62 Ca 0.00 -1.03 -0.30 0.00 -0.36 0.00 0.00 55.97 54.28 3dp0 s LYS 62 Cb 0.00 -0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 35.96 3dp0 s LYS 62 CO 0.00 -1.29 1.41 -1.25 -0.36 0.00 0.00 175.35 173.85 3dp0 s PRO 63 N 1.02 4.25 -0.09 4.03 0.04 -1.22 -0.33 135.00 142.70 3dp0 s PRO 63 Ca 0.26 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 3dp0 s PRO 63 Cb -0.02 -3.72 0.05 0.00 0.04 0.00 0.00 34.50 30.85 3dp0 s PRO 63 CO -0.07 -0.66 0.11 0.42 0.04 0.00 0.00 177.00 176.84 3dp0 s ILE 64 N 3.04 -0.17 0.11 0.56 1.01 -0.47 -4.67 121.20 120.62 3dp0 s ILE 64 Ca 0.63 0.24 -0.31 0.00 0.00 0.00 0.00 60.65 61.21 3dp0 s ILE 64 Cb -0.29 -0.33 -0.10 0.00 0.01 0.00 0.00 42.46 41.75 3dp0 s ILE 64 CO 0.24 0.04 1.86 0.12 0.00 0.00 0.00 174.94 177.20 3dp0 s PHE 65 N 2.22 1.96 0.16 3.97 5.36 -0.20 -4.58 117.98 126.86 3dp0 s PHE 65 Ca 0.04 -0.13 -0.34 0.00 -0.96 0.00 0.00 56.93 55.54 3dp0 s PHE 65 Cb -0.13 -4.20 -0.14 0.00 -0.34 0.00 0.00 43.02 38.20 3dp0 s PHE 65 CO -0.06 -5.05 1.47 -2.30 -1.46 0.00 0.00 175.22 167.82 3dp0 n PRO 66 N 6.06 1.86 -0.26 10.12 -0.02 -1.26 -4.62 135.00 146.88 3dp0 n PRO 66 Ca 0.18 0.67 0.06 0.00 -2.02 0.00 0.00 63.50 62.39 3dp0 n PRO 66 Cb 0.39 -2.37 0.30 0.00 -0.02 0.00 0.00 33.50 31.79 3dp0 n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3dp0 h GLY 67 N 5.16 1.19 2.00 -1.23 0.00 -1.99 -0.36 103.07 107.84 3dp0 h GLY 67 Ca -0.45 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.48 3dp0 h GLY 67 CO 0.83 0.24 -0.16 -0.39 0.00 0.00 0.00 176.54 177.05 3dp0 h VAL 68 N 0.88 0.64 0.00 4.60 -1.51 -2.00 -2.02 116.25 116.84 3dp0 h VAL 68 Ca 0.38 -0.71 -0.08 0.00 -1.23 0.00 0.00 66.70 65.06 3dp0 h VAL 68 Cb 0.31 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 3dp0 h VAL 68 CO -0.15 0.16 -0.51 -0.07 -1.23 0.00 0.00 177.57 175.78 3dp0 h LEU 69 N 0.00 0.00 -0.24 4.19 3.38 -1.44 -2.11 115.31 119.10 3dp0 h LEU 69 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3dp0 h LEU 69 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3dp0 h LEU 69 CO 0.02 0.34 -0.10 0.40 0.09 0.00 0.00 178.44 179.18 3dp0 h ILE 70 N 0.00 1.30 -0.75 1.22 2.04 -0.91 -1.56 117.51 118.86 3dp0 h ILE 70 Ca -0.02 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 64.64 3dp0 h ILE 70 Cb 1.27 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 3dp0 h ILE 70 CO 0.04 0.36 0.35 0.58 0.00 0.00 0.00 178.15 179.48 3dp0 h VAL 71 N 0.21 1.24 -0.87 1.67 2.07 -1.40 -1.73 116.25 117.44 3dp0 h VAL 71 Ca 0.05 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.89 3dp0 h VAL 71 Cb 0.60 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 3dp0 h VAL 71 CO 0.03 0.29 0.57 -0.08 0.02 0.00 0.00 177.57 178.41 3dp0 h GLU 72 N 1.06 1.12 -0.01 1.57 4.57 -1.24 0.12 114.58 121.77 3dp0 h GLU 72 Ca 0.26 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.33 3dp0 h GLU 72 Cb 0.14 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 3dp0 h GLU 72 CO -0.03 0.74 -0.20 0.78 -1.18 0.00 0.00 179.01 179.13 3dp0 h GLY 73 N 1.16 0.01 1.31 1.92 0.00 -0.70 0.11 103.07 106.89 3dp0 h GLY 73 Ca 0.33 -0.01 -0.27 0.00 0.00 0.00 0.00 47.33 47.38 3dp0 h GLY 73 CO -0.08 0.01 -1.09 -0.33 0.00 0.00 0.00 176.54 175.05 3dp0 h MET 74 N 0.01 0.60 -0.65 4.80 2.86 -0.27 -2.16 114.93 120.12 3dp0 h MET 74 Ca 0.00 -0.70 -0.06 0.00 -2.06 0.00 0.00 59.70 56.88 3dp0 h MET 74 Cb 0.35 0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.20 3dp0 h MET 74 CO 0.03 1.29 0.17 0.00 1.06 0.00 0.00 176.91 179.46 3dp0 h ALA 75 N 0.45 0.86 -0.49 6.32 0.00 -0.22 -0.49 119.26 125.69 3dp0 h ALA 75 Ca -0.14 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3dp0 h ALA 75 Cb 1.74 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 3dp0 h ALA 75 CO 0.21 0.56 0.03 1.96 0.00 0.00 0.00 179.25 182.00 3dp0 h GLN 76 N 0.96 0.85 -0.86 0.00 4.20 -0.81 0.39 115.11 119.83 3dp0 h GLN 76 Ca 0.21 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3dp0 h GLN 76 Cb 0.35 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 3dp0 h GLN 76 CO 0.00 0.88 0.49 0.77 -0.67 0.00 0.00 178.83 180.30 3dp0 h SER 77 N 0.71 1.07 0.04 1.46 0.02 -1.10 -0.73 113.55 115.02 3dp0 h SER 77 Ca 0.14 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.89 3dp0 h SER 77 Cb 0.48 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3dp0 h SER 77 CO 0.02 0.84 -0.36 1.23 -1.14 0.00 0.00 176.83 177.42 3dp0 h GLY 78 N 1.20 0.48 1.00 -3.77 0.00 -0.74 -2.77 103.07 98.48 3dp0 h GLY 78 Ca 0.31 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3dp0 h GLY 78 CO -0.05 0.41 0.44 -1.33 0.00 0.00 0.00 176.54 176.00 3dp0 h GLY 79 N 1.10 0.97 1.74 4.60 0.00 0.11 -0.68 103.07 110.90 3dp0 h GLY 79 Ca 0.04 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 3dp0 h GLY 79 CO 0.07 0.37 -0.09 -2.75 0.00 0.00 0.00 176.54 174.14 3dp0 h PHE 80 N 0.93 0.34 -0.35 5.60 3.57 -1.00 -0.47 116.94 125.56 3dp0 h PHE 80 Ca 0.25 -0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.58 3dp0 h PHE 80 Cb -0.08 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3dp0 h PHE 80 CO -0.02 0.42 -0.31 1.25 -2.23 0.00 0.00 178.31 177.41 3dp0 h LEU 81 N 0.31 0.88 0.35 0.59 5.85 -1.12 -2.47 115.31 119.70 3dp0 h LEU 81 Ca 0.07 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 3dp0 h LEU 81 Cb 0.36 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3dp0 h LEU 81 CO 0.02 1.15 -0.17 0.00 -0.34 0.00 0.00 178.44 179.10 3dp0 h ALA 82 N 0.75 -0.47 0.24 1.25 0.00 -0.42 -0.68 119.26 119.93 3dp0 h ALA 82 Ca 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3dp0 h ALA 82 Cb 0.89 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3dp0 h ALA 82 CO 0.08 -0.73 -0.36 0.74 0.00 0.00 0.00 179.25 178.98 3dp0 h PHE 83 N -0.54 -1.02 -0.77 0.00 0.04 -1.14 -1.14 116.94 112.37 3dp0 h PHE 83 Ca -0.05 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.81 3dp0 h PHE 83 Cb 0.40 0.41 -0.05 0.00 2.20 0.00 0.00 35.95 38.92 3dp0 h PHE 83 CO -0.03 -0.45 0.50 1.79 -0.60 0.00 0.00 178.31 179.52 3dp0 h THR 84 N -0.63 1.01 0.00 -1.55 1.35 -1.49 -0.34 112.91 111.26 3dp0 h THR 84 Ca -0.03 -0.27 -0.08 0.00 -0.55 0.00 0.00 66.41 65.48 3dp0 h THR 84 Cb 0.58 0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.14 3dp0 h THR 84 CO -0.11 0.14 -0.38 0.28 -0.25 0.00 0.00 175.52 175.20 3dp0 h SER 85 N 0.79 0.00 0.00 5.36 0.02 -0.91 0.38 113.55 119.18 3dp0 h SER 85 Ca 0.34 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.21 3dp0 h SER 85 Cb 0.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3dp0 h SER 85 CO -0.12 0.38 -0.44 0.25 -1.14 0.00 0.00 176.83 175.77 3dp0 h LEU 86 N 0.00 0.00 -1.93 5.07 5.85 0.12 -3.42 115.31 120.99 3dp0 h LEU 86 Ca -0.00 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 57.95 3dp0 h LEU 86 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3dp0 h LEU 86 CO 0.05 1.14 0.00 0.79 -0.34 0.00 0.00 178.44 180.08 3dp0 n TRP 87 N -4.56 0.00 -4.34 1.25 8.01 -0.28 -5.11 117.44 112.42 3dp0 n TRP 87 Ca -0.17 -0.25 0.00 0.00 -1.31 0.00 0.00 57.50 55.77 3dp0 n TRP 87 Cb 0.52 -0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.80 3dp0 n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dp0 n GLY 88 N -0.25 -1.32 3.54 6.99 0.00 0.13 -4.23 105.19 110.05 3dp0 n GLY 88 Ca 0.00 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 3dp0 n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dp0 s PHE 89 N 0.00 2.78 -0.49 1.61 5.36 -1.26 -4.14 117.98 121.84 3dp0 s PHE 89 Ca 0.00 -1.30 0.03 0.00 -0.96 0.00 0.00 56.93 54.70 3dp0 s PHE 89 Cb 0.00 -4.63 0.13 0.00 -0.34 0.00 0.00 43.02 38.18 3dp0 s PHE 89 CO 0.00 -1.79 0.25 0.34 -1.46 0.00 0.00 175.22 172.56 3dp0 s ASP 90 N 4.35 4.14 0.46 6.13 -1.08 -1.26 -4.96 116.67 124.45 3dp0 s ASP 90 Ca 0.47 -2.88 0.15 0.00 -0.52 0.00 0.00 52.55 49.76 3dp0 s ASP 90 Cb 0.00 -1.47 1.10 0.00 -1.46 0.00 0.00 42.92 41.09 3dp0 s ASP 90 CO -0.03 -0.24 2.03 -0.65 0.52 0.00 0.00 175.17 176.80 3dp0 h PRO 91 N 6.59 0.29 -0.10 4.34 0.11 -1.90 -2.34 132.00 138.99 3dp0 h PRO 91 Ca -0.06 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.07 3dp0 h PRO 91 Cb 0.90 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.91 3dp0 h PRO 91 CO 0.63 0.19 -0.12 1.49 -0.21 0.00 0.00 178.00 179.98 3dp0 h GLU 92 N 0.29 -0.15 -0.19 1.05 4.57 -1.93 -0.98 114.58 117.25 3dp0 h GLU 92 Ca 0.19 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.30 3dp0 h GLU 92 Cb 0.38 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3dp0 h GLU 92 CO -0.04 -0.10 -0.19 0.82 -1.18 0.00 0.00 179.01 178.31 3dp0 h ILE 93 N -0.16 1.33 -0.99 2.32 2.04 -1.91 -3.21 117.51 116.93 3dp0 h ILE 93 Ca 0.08 -1.36 0.21 0.00 1.00 0.00 0.00 64.86 64.79 3dp0 h ILE 93 Cb 0.27 1.80 -0.10 0.00 -0.74 0.00 0.00 36.82 38.05 3dp0 h ILE 93 CO -0.19 0.41 0.62 0.00 0.00 0.00 0.00 178.15 178.99 3dp0 h ALA 94 N 0.63 1.87 0.00 1.87 0.00 -1.18 -1.46 119.26 120.99 3dp0 h ALA 94 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dp0 h ALA 94 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3dp0 h ALA 94 CO 0.05 -0.25 0.00 0.36 0.00 0.00 0.00 179.25 179.41 3dp0 n LYS 95 N -4.71 0.27 -0.00 0.00 2.85 -0.39 -2.52 118.16 113.66 3dp0 n LYS 95 Ca 0.23 0.10 0.06 0.00 -1.05 0.00 0.00 58.31 57.65 3dp0 n LYS 95 Cb 0.66 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.46 3dp0 n LYS 95 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3dp0 n THR 96 N -1.16 0.00 -2.95 0.58 -2.24 -0.55 -5.00 114.28 102.96 3dp0 n THR 96 Ca 0.07 -0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.42 3dp0 n THR 96 Cb 0.07 0.58 0.02 0.00 -2.10 0.00 0.00 70.33 68.90 3dp0 n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dp0 s LYS 97 N -2.47 2.74 0.31 -0.78 -0.14 -1.05 0.11 119.74 118.47 3dp0 s LYS 97 Ca -0.00 -1.19 -0.01 0.00 -1.36 0.00 0.00 55.97 53.41 3dp0 s LYS 97 Cb 0.08 -2.71 -0.01 0.00 -1.68 0.00 0.00 37.83 33.51 3dp0 s LYS 97 CO 0.47 -0.39 0.38 0.96 -0.76 0.00 0.00 175.35 176.01 3dp0 s ILE 98 N -2.44 0.00 -0.08 2.17 -4.36 0.18 -4.69 121.20 111.98 3dp0 s ILE 98 Ca 0.56 -1.73 0.02 0.00 -0.26 0.00 0.00 60.65 59.23 3dp0 s ILE 98 Cb -0.10 -2.54 0.02 0.00 1.25 0.00 0.00 42.46 41.09 3dp0 s ILE 98 CO 0.34 0.00 -0.11 -0.69 0.24 0.00 0.00 174.94 174.72 3dp0 s VAL 99 N -3.41 1.13 -0.11 8.37 1.01 -1.26 -1.98 120.40 124.16 3dp0 s VAL 99 Ca 0.33 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 3dp0 s VAL 99 Cb 0.01 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3dp0 s VAL 99 CO 0.20 0.36 -0.03 -0.31 0.00 0.00 0.00 175.10 175.32 3dp0 s TYR 100 N 0.92 3.06 0.09 5.22 1.51 0.75 -4.96 117.35 123.94 3dp0 s TYR 100 Ca -0.10 -0.00 -0.30 0.00 -1.01 0.00 0.00 57.07 55.66 3dp0 s TYR 100 Cb -0.15 -1.83 -0.05 0.00 -0.11 0.00 0.00 41.96 39.82 3dp0 s TYR 100 CO 0.01 0.27 0.96 0.12 -1.11 0.00 0.00 175.55 175.80 3dp0 s PHE 101 N -0.44 3.79 -0.11 2.71 5.36 -1.26 -0.03 117.98 127.99 3dp0 s PHE 101 Ca 0.07 1.78 -0.07 0.00 -0.96 0.00 0.00 56.93 57.75 3dp0 s PHE 101 Cb -0.12 -3.06 -0.05 0.00 -0.34 0.00 0.00 43.02 39.44 3dp0 s PHE 101 CO 0.02 0.17 -0.18 -1.33 -1.46 0.00 0.00 175.22 172.45 3dp0 n MET 102 N 2.98 0.28 -3.90 10.12 2.81 0.08 -4.89 117.12 124.60 3dp0 n MET 102 Ca 0.03 0.12 -0.10 0.00 -1.81 0.00 0.00 57.70 55.94 3dp0 n MET 102 Cb 0.49 -0.98 -0.10 0.00 -0.71 0.00 0.00 33.22 31.93 3dp0 n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3dp0 s THR 103 N -2.31 0.10 -0.03 2.03 -4.23 -0.86 -4.97 115.64 105.38 3dp0 s THR 103 Ca -0.18 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 3dp0 s THR 103 Cb 0.06 -0.55 0.01 0.00 1.34 0.00 0.00 72.50 73.36 3dp0 s THR 103 CO 0.23 -0.46 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.18 3dp0 s ILE 104 N -1.77 0.43 0.10 2.99 1.01 -1.26 -1.29 121.20 121.42 3dp0 s ILE 104 Ca -0.12 -0.13 -0.18 0.00 0.00 0.00 0.00 60.65 60.23 3dp0 s ILE 104 Cb -0.06 -0.43 0.04 0.00 0.01 0.00 0.00 42.46 42.02 3dp0 s ILE 104 CO -0.01 0.17 0.44 -0.62 0.00 0.00 0.00 174.94 174.92 3dp0 s ASP 105 N 0.53 -0.30 -1.30 3.58 2.15 0.50 -4.97 116.67 116.86 3dp0 s ASP 105 Ca -0.06 -0.17 -0.08 0.00 0.43 0.00 0.00 52.55 52.67 3dp0 s ASP 105 Cb -0.10 0.48 -0.00 0.00 -0.30 0.00 0.00 42.92 43.00 3dp0 s ASP 105 CO -0.00 -0.81 0.59 0.29 -0.17 0.00 0.00 175.17 175.06 3dp0 n LYS 106 N -0.03 -2.78 -4.17 4.34 5.02 -1.26 -1.27 118.16 118.01 3dp0 n LYS 106 Ca -0.17 0.45 -0.34 0.00 -2.02 0.00 0.00 58.31 56.23 3dp0 n LYS 106 Cb 0.63 -4.45 -0.08 0.00 -0.02 0.00 0.00 35.03 31.11 3dp0 n LYS 106 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3dp0 s VAL 107 N -3.75 4.67 -0.08 -0.18 -7.23 -1.26 -3.94 120.40 108.63 3dp0 s VAL 107 Ca 0.17 -0.28 -0.05 0.00 -1.81 0.00 0.00 61.98 60.01 3dp0 s VAL 107 Cb -0.06 -3.06 0.03 0.00 0.56 0.00 0.00 36.38 33.85 3dp0 s VAL 107 CO 0.87 0.48 0.19 -0.54 -0.31 0.00 0.00 175.10 175.79 3dp0 s LYS 108 N -1.34 0.18 -0.12 4.82 1.02 -0.71 -4.99 119.74 118.61 3dp0 s LYS 108 Ca 0.18 0.35 -0.04 0.00 0.02 0.00 0.00 55.97 56.49 3dp0 s LYS 108 Cb -0.12 -0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.14 3dp0 s LYS 108 CO 0.08 -0.09 0.01 -0.06 -0.92 0.00 0.00 175.35 174.37 3dp0 s PHE 109 N 0.65 3.17 -0.04 3.18 0.40 -1.26 -1.87 117.98 122.20 3dp0 s PHE 109 Ca -0.05 0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 3dp0 s PHE 109 Cb -0.06 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.55 3dp0 s PHE 109 CO -0.03 0.31 -0.03 0.54 0.70 0.00 0.00 175.22 176.71 3dp0 n ARG 110 N 2.71 0.72 -4.42 0.44 1.74 -0.57 -4.98 116.66 112.30 3dp0 n ARG 110 Ca -0.18 0.02 -0.21 0.00 -0.77 0.00 0.00 57.85 56.71 3dp0 n ARG 110 Cb 0.53 -1.09 -0.16 0.00 -1.02 0.00 0.00 32.46 30.73 3dp0 n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dp0 s ILE 111 N -2.09 0.84 0.31 0.55 1.01 -1.20 -5.05 121.20 115.57 3dp0 s ILE 111 Ca -0.05 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 59.95 3dp0 s ILE 111 Cb 0.01 -0.76 -0.10 0.00 0.01 0.00 0.00 42.46 41.62 3dp0 s ILE 111 CO 0.11 0.27 1.20 -2.16 0.00 0.00 0.00 174.94 174.36 3dp0 s PRO 112 N 0.37 4.46 -0.16 2.79 0.04 -1.26 -4.81 135.00 136.42 3dp0 s PRO 112 Ca -0.06 1.99 -0.14 0.00 0.04 0.00 0.00 61.00 62.83 3dp0 s PRO 112 Cb -0.11 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 3dp0 s PRO 112 CO 0.01 -0.02 0.28 0.08 0.04 0.00 0.00 177.00 177.40 3dp0 s VAL 113 N -1.18 5.31 0.28 -0.36 1.01 -1.26 -5.02 120.40 119.18 3dp0 s VAL 113 Ca 0.48 0.53 0.04 0.00 0.00 0.00 0.00 61.98 63.03 3dp0 s VAL 113 Cb -0.35 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 3dp0 s VAL 113 CO 0.46 0.40 0.02 0.42 0.00 0.00 0.00 175.10 176.40 3dp0 s THR 114 N 0.43 1.15 0.19 3.92 -4.23 -1.26 -1.03 115.64 114.80 3dp0 s THR 114 Ca 0.16 -2.03 -0.33 0.00 -1.18 0.00 0.00 61.69 58.31 3dp0 s THR 114 Cb -0.13 -2.57 -0.14 0.00 1.34 0.00 0.00 72.50 71.00 3dp0 s THR 114 CO 0.04 -0.16 1.43 -2.65 -0.54 0.00 0.00 174.62 172.74 3dp0 n PRO 115 N -0.55 1.88 0.00 3.99 -0.02 -1.26 -1.55 135.00 137.49 3dp0 n PRO 115 Ca -0.03 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3dp0 n PRO 115 Cb 0.65 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3dp0 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dp0 n GLY 116 N 2.62 0.55 3.86 -1.23 0.00 0.98 -4.91 105.19 107.06 3dp0 n GLY 116 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3dp0 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dp0 s ASP 117 N -2.00 6.74 -0.44 1.61 -0.00 -0.59 -4.93 116.67 117.06 3dp0 s ASP 117 Ca 0.00 1.00 -0.11 0.00 -0.00 0.00 0.00 52.55 53.45 3dp0 s ASP 117 Cb 0.00 -2.26 0.08 0.00 -0.00 0.00 0.00 42.92 40.74 3dp0 s ASP 117 CO 0.00 0.04 0.30 -0.60 -0.00 0.00 0.00 175.17 174.91 3dp0 s ARG 118 N -2.29 2.69 -0.66 8.23 3.52 -1.26 -1.23 118.95 127.94 3dp0 s ARG 118 Ca 0.41 -1.46 -0.24 0.00 -0.13 0.00 0.00 55.73 54.31 3dp0 s ARG 118 Cb -0.13 -3.88 0.06 0.00 -1.56 0.00 0.00 34.95 29.43 3dp0 s ARG 118 CO 0.20 -0.99 1.04 -1.17 -0.81 0.00 0.00 175.30 173.56 3dp0 s LEU 119 N 1.47 4.04 -0.17 -0.88 2.96 -0.36 -4.40 118.68 121.34 3dp0 s LEU 119 Ca 0.03 -0.75 -0.17 0.00 -0.22 0.00 0.00 54.13 53.02 3dp0 s LEU 119 Cb -0.24 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 3dp0 s LEU 119 CO 0.03 -1.51 0.44 -0.70 -1.32 0.00 0.00 176.35 173.29 3dp0 s GLU 120 N 4.46 4.25 -0.22 1.98 2.12 0.17 -1.16 118.70 130.30 3dp0 s GLU 120 Ca 0.27 0.33 -0.11 0.00 0.36 0.00 0.00 54.97 55.82 3dp0 s GLU 120 Cb -0.14 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.71 3dp0 s GLU 120 CO 0.13 0.04 0.17 0.71 -0.54 0.00 0.00 175.26 175.76 3dp0 s TYR 121 N 1.04 3.35 -0.31 5.30 1.51 0.45 0.45 117.35 129.14 3dp0 s TYR 121 Ca 0.22 0.28 0.03 0.00 -1.01 0.00 0.00 57.07 56.60 3dp0 s TYR 121 Cb -0.15 -2.25 0.09 0.00 -0.11 0.00 0.00 41.96 39.54 3dp0 s TYR 121 CO 0.09 0.13 0.02 -1.01 -1.11 0.00 0.00 175.55 173.67 3dp0 s HIS 122 N 0.85 3.22 0.03 2.71 3.76 0.61 -0.63 115.29 125.84 3dp0 s HIS 122 Ca 0.08 -2.56 0.08 0.00 -0.15 0.00 0.00 55.06 52.51 3dp0 s HIS 122 Cb -0.13 -2.43 -0.02 0.00 1.11 0.00 0.00 32.58 31.11 3dp0 s HIS 122 CO 0.03 -0.91 -0.24 -0.51 -0.85 0.00 0.00 174.74 172.26 3dp0 s LEU 123 N 1.10 2.13 0.12 0.89 2.01 -0.69 -0.76 118.68 123.48 3dp0 s LEU 123 Ca 0.06 -0.53 0.07 0.00 0.01 0.00 0.00 54.13 53.74 3dp0 s LEU 123 Cb -0.19 -1.20 -0.04 0.00 0.01 0.00 0.00 46.19 44.77 3dp0 s LEU 123 CO -0.10 0.25 -0.18 -1.83 1.01 0.00 0.00 176.35 175.50 3dp0 s GLU 124 N -1.03 1.10 -0.14 1.70 -1.05 -0.46 -0.90 118.70 117.92 3dp0 s GLU 124 Ca 0.10 -1.23 -0.29 0.00 -0.15 0.00 0.00 54.97 53.40 3dp0 s GLU 124 Cb -0.09 -1.18 -0.01 0.00 -0.44 0.00 0.00 34.13 32.41 3dp0 s GLU 124 CO 0.01 0.25 1.09 0.14 0.95 0.00 0.00 175.26 177.70 3dp0 s VAL 125 N -1.68 4.59 -0.18 1.83 -7.23 -0.06 -1.96 120.40 115.71 3dp0 s VAL 125 Ca 0.09 1.89 -0.20 0.00 -1.81 0.00 0.00 61.98 61.95 3dp0 s VAL 125 Cb -0.07 -4.22 -0.22 0.00 0.56 0.00 0.00 36.38 32.43 3dp0 s VAL 125 CO 0.04 -0.07 0.32 -0.07 -0.31 0.00 0.00 175.10 175.01 3dp0 h LEU 126 N 8.73 0.10 -7.00 1.32 3.38 -0.70 -3.48 115.31 117.66 3dp0 h LEU 126 Ca -0.27 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.05 3dp0 h LEU 126 Cb 1.12 -0.03 -0.22 0.00 0.09 0.00 0.00 40.66 41.61 3dp0 h LEU 126 CO 0.91 1.51 0.30 -0.75 0.09 0.00 0.00 178.44 180.51 3dp0 s LYS 127 N -2.39 0.74 0.04 1.13 2.20 -0.68 -5.03 119.74 115.76 3dp0 s LYS 127 Ca -0.26 0.61 -0.17 0.00 -0.36 0.00 0.00 55.97 55.79 3dp0 s LYS 127 Cb 0.05 0.36 0.03 0.00 -1.51 0.00 0.00 37.83 36.76 3dp0 s LYS 127 CO 0.64 -0.14 0.39 -3.38 -0.36 0.00 0.00 175.35 172.50 3dp0 s HIS 128 N -0.18 -0.24 -0.29 4.03 -3.43 -1.26 -0.16 115.29 113.76 3dp0 s HIS 128 Ca -0.01 0.19 -0.14 0.00 -0.80 0.00 0.00 55.06 54.30 3dp0 s HIS 128 Cb -0.03 0.20 0.12 0.00 -1.43 0.00 0.00 32.58 31.43 3dp0 s HIS 128 CO 0.01 -0.56 0.76 0.21 -2.00 0.00 0.00 174.74 173.16 3dp0 s LYS 129 N -2.44 0.55 7.88 -0.38 2.20 -0.69 -5.04 119.74 121.81 3dp0 s LYS 129 Ca -0.05 1.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.71 3dp0 s LYS 129 Cb -0.01 0.45 0.00 0.00 -1.51 0.00 0.00 37.83 36.76 3dp0 s LYS 129 CO -0.02 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 3dp0 n GLY 130 N 4.74 3.43 0.01 5.54 0.00 -1.26 -1.81 105.19 115.85 3dp0 n GLY 130 Ca -0.15 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 45.86 3dp0 n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dp0 n MET 131 N 13.88 0.05 -3.17 1.61 2.81 -1.26 -4.85 117.12 126.19 3dp0 n MET 131 Ca 0.00 0.02 -0.40 0.00 -1.81 0.00 0.00 57.70 55.51 3dp0 n MET 131 Cb 0.00 -1.54 -0.07 0.00 -0.71 0.00 0.00 33.22 30.90 3dp0 n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3dp0 s ILE 132 N -3.03 5.03 -0.04 2.02 1.01 -0.75 -2.15 121.20 123.30 3dp0 s ILE 132 Ca 0.11 1.04 0.05 0.00 0.00 0.00 0.00 60.65 61.85 3dp0 s ILE 132 Cb 0.17 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.74 3dp0 s ILE 132 CO 0.66 0.08 -0.20 0.26 0.00 0.00 0.00 174.94 175.73 3dp0 s TRP 133 N 2.24 1.95 -0.29 3.97 0.52 -0.27 -1.70 118.94 125.35 3dp0 s TRP 133 Ca 0.25 -0.50 0.03 0.00 0.02 0.00 0.00 56.10 55.89 3dp0 s TRP 133 Cb -0.16 -1.28 0.07 0.00 -1.15 0.00 0.00 33.47 30.96 3dp0 s TRP 133 CO 0.09 -0.13 -0.04 -1.14 0.02 0.00 0.00 176.95 175.75 3dp0 s GLN 134 N -0.19 2.00 0.33 4.98 0.74 0.78 -0.39 119.66 127.90 3dp0 s GLN 134 Ca 0.00 -1.53 0.09 0.00 0.05 0.00 0.00 55.36 53.97 3dp0 s GLN 134 Cb -0.11 -3.04 -0.05 0.00 1.10 0.00 0.00 33.01 30.91 3dp0 s GLN 134 CO 0.02 -0.71 -0.00 0.14 -0.55 0.00 0.00 175.29 174.18 3dp0 s VAL 135 N 1.05 2.73 0.04 1.34 -7.23 0.12 0.07 120.40 118.52 3dp0 s VAL 135 Ca -0.02 -1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 57.97 3dp0 s VAL 135 Cb -0.20 -2.77 0.04 0.00 0.56 0.00 0.00 36.38 34.02 3dp0 s VAL 135 CO -0.06 -0.24 0.45 -0.83 -0.31 0.00 0.00 175.10 174.12 3dp0 s GLY 136 N -3.70 -0.33 0.00 2.32 0.00 -0.83 -0.50 107.32 104.29 3dp0 s GLY 136 Ca 0.34 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.49 3dp0 s GLY 136 CO 0.19 0.16 0.00 0.61 0.00 0.00 0.00 173.10 174.06 3dp0 n GLY 137 N 0.52 -0.68 3.15 0.20 0.00 -0.24 -1.36 105.19 106.78 3dp0 n GLY 137 Ca -0.19 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 3dp0 n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dp0 s THR 138 N -4.00 0.12 -0.11 2.61 -4.23 0.06 -1.44 115.64 108.65 3dp0 s THR 138 Ca 0.00 -1.85 0.02 0.00 -1.18 0.00 0.00 61.69 58.68 3dp0 s THR 138 Cb 0.00 -1.93 -0.01 0.00 1.34 0.00 0.00 72.50 71.90 3dp0 s THR 138 CO 0.00 -0.55 -0.19 0.00 -0.54 0.00 0.00 174.62 173.34 3dp0 s ALA 139 N -4.02 2.39 0.10 3.99 0.00 0.68 -0.28 121.76 124.62 3dp0 s ALA 139 Ca 0.20 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.30 3dp0 s ALA 139 Cb 0.07 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 3dp0 s ALA 139 CO -0.01 0.27 -0.18 -0.65 0.00 0.00 0.00 175.76 175.19 3dp0 s GLN 140 N 0.35 1.04 -0.11 0.00 -0.21 0.17 -1.08 119.66 119.82 3dp0 s GLN 140 Ca -0.15 -1.14 -0.00 0.00 0.02 0.00 0.00 55.36 54.09 3dp0 s GLN 140 Cb -0.17 -1.16 0.02 0.00 1.00 0.00 0.00 33.01 32.70 3dp0 s GLN 140 CO 0.07 0.26 -0.07 0.08 -2.12 0.00 0.00 175.29 173.51 3dp0 s VAL 141 N -1.41 1.00 -1.34 1.09 1.01 0.42 -0.65 120.40 120.51 3dp0 s VAL 141 Ca 0.05 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 3dp0 s VAL 141 Cb -0.09 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.27 3dp0 s VAL 141 CO 0.04 0.36 0.48 -0.67 0.00 0.00 0.00 175.10 175.31 3dp0 n ASP 142 N 4.91 -1.62 0.00 3.32 4.64 -1.26 -1.43 116.55 125.12 3dp0 n ASP 142 Ca -0.13 -1.06 0.00 0.00 -1.38 0.00 0.00 54.79 52.22 3dp0 n ASP 142 Cb 0.50 -2.86 0.00 0.00 -1.04 0.00 0.00 41.12 37.72 3dp0 n ASP 142 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3dp0 n GLY 143 N -1.99 2.98 3.90 0.27 0.00 -1.26 -5.01 105.19 104.08 3dp0 n GLY 143 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 3dp0 n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dp0 s LYS 144 N -0.13 3.45 -0.30 1.61 1.02 -0.51 -5.06 119.74 119.81 3dp0 s LYS 144 Ca 0.00 -0.24 -0.29 0.00 0.02 0.00 0.00 55.97 55.46 3dp0 s LYS 144 Cb 0.00 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 3dp0 s LYS 144 CO 0.00 0.71 1.28 0.08 -0.92 0.00 0.00 175.35 176.49 3dp0 s VAL 145 N -1.23 4.18 -1.18 3.17 1.01 -1.26 -0.44 120.40 124.65 3dp0 s VAL 145 Ca 0.24 1.33 0.21 0.00 0.00 0.00 0.00 61.98 63.76 3dp0 s VAL 145 Cb -0.12 -4.19 -0.19 0.00 0.00 0.00 0.00 36.38 31.87 3dp0 s VAL 145 CO 0.14 -0.48 0.93 1.33 0.00 0.00 0.00 175.10 177.02 3dp0 n VAL 146 N 6.18 0.00 -3.62 2.92 0.24 -0.24 -4.58 118.33 119.23 3dp0 n VAL 146 Ca 0.14 -0.04 -0.05 0.00 -2.04 0.00 0.00 64.34 62.35 3dp0 n VAL 146 Cb 0.47 1.04 -0.05 0.00 -1.47 0.00 0.00 33.84 33.83 3dp0 n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dp0 s ALA 147 N -2.91 -2.05 0.06 2.33 0.00 -1.09 -1.51 121.76 116.59 3dp0 s ALA 147 Ca 0.10 1.77 0.03 0.00 0.00 0.00 0.00 51.96 53.86 3dp0 s ALA 147 Cb 0.16 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 3dp0 s ALA 147 CO 0.82 -0.26 -0.10 -1.83 0.00 0.00 0.00 175.76 174.39 3dp0 s GLU 148 N -1.00 0.67 0.11 0.00 -1.05 -0.78 -0.23 118.70 116.42 3dp0 s GLU 148 Ca 0.05 -0.91 -0.26 0.00 -0.15 0.00 0.00 54.97 53.70 3dp0 s GLU 148 Cb -0.01 -0.45 0.07 0.00 -0.44 0.00 0.00 34.13 33.31 3dp0 s GLU 148 CO -0.04 0.08 0.89 0.00 0.95 0.00 0.00 175.26 177.14 3dp0 s ALA 149 N -1.69 -1.67 -0.01 -0.84 0.00 -0.52 -1.74 121.76 115.30 3dp0 s ALA 149 Ca -0.04 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.33 3dp0 s ALA 149 Cb -0.08 0.60 -0.00 0.00 0.00 0.00 0.00 23.12 23.64 3dp0 s ALA 149 CO 0.00 -0.91 -0.06 -1.21 0.00 0.00 0.00 175.76 173.58 3dp0 s GLU 150 N -3.31 0.48 0.10 0.00 2.02 -0.39 -1.08 118.70 116.51 3dp0 s GLU 150 Ca 0.09 -0.20 -0.17 0.00 0.02 0.00 0.00 54.97 54.72 3dp0 s GLU 150 Cb -0.02 -0.47 0.04 0.00 0.10 0.00 0.00 34.13 33.78 3dp0 s GLU 150 CO -0.02 0.11 0.41 -0.48 0.02 0.00 0.00 175.26 175.30 3dp0 s LEU 151 N -0.07 0.39 -0.12 1.80 0.05 0.35 -0.37 118.68 120.70 3dp0 s LEU 151 Ca 0.01 -0.23 -0.00 0.00 0.05 0.00 0.00 54.13 53.96 3dp0 s LEU 151 Cb -0.03 1.82 0.03 0.00 -2.05 0.00 0.00 46.19 45.96 3dp0 s LEU 151 CO -0.00 -0.80 -0.07 -0.75 -0.55 0.00 0.00 176.35 174.17 3dp0 s LYS 152 N -3.45 1.51 0.24 1.48 2.20 -0.41 -0.70 119.74 120.62 3dp0 s LYS 152 Ca 0.01 -0.30 0.12 0.00 -0.36 0.00 0.00 55.97 55.43 3dp0 s LYS 152 Cb 0.01 -1.67 -0.05 0.00 -1.51 0.00 0.00 37.83 34.62 3dp0 s LYS 152 CO -0.09 -0.30 -0.21 0.00 -0.36 0.00 0.00 175.35 174.39 3dp0 s ALA 153 N 1.69 2.67 -0.05 3.13 0.00 0.48 -0.75 121.76 128.94 3dp0 s ALA 153 Ca 0.04 -1.75 0.04 0.00 0.00 0.00 0.00 51.96 50.29 3dp0 s ALA 153 Cb -0.13 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 3dp0 s ALA 153 CO -0.08 0.35 -0.18 1.41 0.00 0.00 0.00 175.76 177.26 3dp0 s MET 154 N -3.11 1.91 -0.05 0.00 1.75 0.96 -1.11 119.30 119.64 3dp0 s MET 154 Ca 0.26 -0.65 -0.14 0.00 -1.25 0.00 0.00 55.69 53.90 3dp0 s MET 154 Cb -0.06 -1.65 -0.05 0.00 2.84 0.00 0.00 34.83 35.91 3dp0 s MET 154 CO 0.13 0.25 0.38 0.42 -0.65 0.00 0.00 175.02 175.55 3dp0 s ILE 155 N 0.04 5.14 0.06 10.11 1.01 -0.91 -0.18 121.20 136.47 3dp0 s ILE 155 Ca -0.05 0.76 -0.07 0.00 0.00 0.00 0.00 60.65 61.29 3dp0 s ILE 155 Cb -0.12 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 3dp0 s ILE 155 CO 0.03 0.51 0.15 0.00 0.00 0.00 0.00 174.94 175.62 3dp0 s ALA 156 N -0.57 -0.14 0.15 9.38 0.00 -0.84 -4.81 121.76 124.93 3dp0 s ALA 156 Ca 0.22 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 3dp0 s ALA 156 Cb -0.15 0.36 -0.08 0.00 0.00 0.00 0.00 23.12 23.25 3dp0 s ALA 156 CO 0.11 -0.41 1.25 -1.21 0.00 0.00 0.00 175.76 175.49 3dp0 s GLU 157 N -3.27 4.43 0.00 0.00 0.41 -1.26 -0.65 118.70 118.36 3dp0 s GLU 157 Ca 0.01 1.91 0.00 0.00 -0.41 0.00 0.00 54.97 56.48 3dp0 s GLU 157 Cb 0.02 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 29.12 3dp0 s GLU 157 CO -0.08 -0.21 0.21 0.54 -0.49 0.00 0.00 175.26 175.23