#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dp3 s GLN 11 N 0.00 3.93 -0.05 1.43 -0.21 -1.25 -3.24 119.66 120.26 3dp3 s GLN 11 Ca 0.00 0.01 0.05 0.00 0.02 0.00 0.00 55.36 55.44 3dp3 s GLN 11 Cb 0.00 -3.69 -0.01 0.00 1.00 0.00 0.00 33.01 30.31 3dp3 s GLN 11 CO 0.00 -0.36 -0.22 -0.06 -2.12 0.00 0.00 175.29 172.53 3dp3 s PHE 12 N 2.14 2.14 0.56 0.91 0.40 -0.21 -4.98 117.98 118.94 3dp3 s PHE 12 Ca 0.16 -0.63 0.08 0.00 -0.60 0.00 0.00 56.93 55.95 3dp3 s PHE 12 Cb -0.16 -1.42 0.07 0.00 0.51 0.00 0.00 43.02 42.02 3dp3 s PHE 12 CO 0.10 -0.19 0.66 -0.06 0.70 0.00 0.00 175.22 176.43 3dp3 s PHE 13 N -0.09 1.54 0.30 0.36 0.40 -1.26 -0.80 117.98 118.42 3dp3 s PHE 13 Ca -0.03 -0.75 0.05 0.00 -0.60 0.00 0.00 56.93 55.60 3dp3 s PHE 13 Cb -0.13 -2.13 0.73 0.00 0.51 0.00 0.00 43.02 42.01 3dp3 s PHE 13 CO 0.03 -0.91 1.74 0.97 0.70 0.00 0.00 175.22 177.75 3dp3 h ILE 14 N 0.38 0.62 -0.42 0.64 6.09 -1.90 -0.32 117.51 122.60 3dp3 h ILE 14 Ca -0.32 -0.21 0.03 0.00 -1.37 0.00 0.00 64.86 62.98 3dp3 h ILE 14 Cb 1.29 -0.05 -0.03 0.00 0.47 0.00 0.00 36.82 38.50 3dp3 h ILE 14 CO 0.46 0.11 0.22 1.05 -3.07 0.00 0.00 178.15 176.92 3dp3 h GLU 15 N 0.61 0.43 -0.51 2.19 4.11 -1.94 0.11 114.58 119.58 3dp3 h GLU 15 Ca 0.57 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.90 3dp3 h GLU 15 Cb 0.97 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 3dp3 h GLU 15 CO -0.43 0.28 0.03 0.45 0.07 0.00 0.00 179.01 179.41 3dp3 h HIS 16 N 0.44 0.95 -0.54 2.06 3.86 -1.54 -3.00 115.15 117.39 3dp3 h HIS 16 Ca 0.17 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3dp3 h HIS 16 Cb 0.06 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 3dp3 h HIS 16 CO -0.09 0.88 0.31 0.82 0.86 0.00 0.00 177.93 180.71 3dp3 h ILE 17 N 0.75 1.17 -0.00 2.45 2.04 -0.60 -2.23 117.51 121.09 3dp3 h ILE 17 Ca 0.15 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3dp3 h ILE 17 Cb 0.48 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3dp3 h ILE 17 CO 0.02 0.18 0.01 -0.07 0.00 0.00 0.00 178.15 178.28 3dp3 h LEU 18 N 0.72 0.00 0.00 1.44 3.38 -0.67 -0.82 115.31 119.36 3dp3 h LEU 18 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3dp3 h LEU 18 Cb 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3dp3 h LEU 18 CO -0.03 0.00 -0.65 1.56 0.09 0.00 0.00 178.44 179.41 3dp3 h GLN 19 N 0.00 0.00 0.00 1.13 4.20 -1.29 -3.39 115.11 115.76 3dp3 h GLN 19 Ca 0.00 0.00 -0.42 0.00 0.06 0.00 0.00 58.65 58.29 3dp3 h GLN 19 Cb 0.02 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 3dp3 h GLN 19 CO -0.00 0.05 -2.32 -0.89 -0.67 0.00 0.00 178.83 175.00 3dp3 n ILE 20 N -2.88 1.53 -3.08 2.54 2.08 -0.58 -4.62 119.36 114.36 3dp3 n ILE 20 Ca 0.01 -0.36 -0.38 0.00 0.56 0.00 0.00 62.75 62.58 3dp3 n ILE 20 Cb 0.58 -1.85 -0.06 0.00 -0.75 0.00 0.00 39.64 37.55 3dp3 n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3dp3 s LEU 21 N -7.45 4.53 0.26 1.39 1.43 -0.42 -4.85 118.68 113.56 3dp3 s LEU 21 Ca -0.36 1.51 0.25 0.00 -1.03 0.00 0.00 54.13 54.49 3dp3 s LEU 21 Cb 0.13 -3.26 0.59 0.00 0.03 0.00 0.00 46.19 43.67 3dp3 s LEU 21 CO 0.53 0.19 1.64 1.55 0.23 0.00 0.00 176.35 180.48 3dp3 h PRO 22 N 4.18 0.00 -6.98 1.29 0.13 -1.89 -3.44 132.00 125.29 3dp3 h PRO 22 Ca -0.48 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.11 3dp3 h PRO 22 Cb 1.21 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.46 3dp3 h PRO 22 CO 0.65 0.00 0.73 0.72 -0.23 0.00 0.00 178.00 179.87 3dp3 n HIS 23 N -2.49 2.81 -4.36 1.56 8.25 -1.26 -5.03 115.22 114.70 3dp3 n HIS 23 Ca 0.05 0.44 -0.21 0.00 -0.26 0.00 0.00 57.72 57.73 3dp3 n HIS 23 Cb 0.46 -2.48 -0.08 0.00 1.12 0.00 0.00 29.99 29.01 3dp3 n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3dp3 s ARG 24 N -2.38 1.79 0.34 -0.41 1.81 -1.26 -4.68 118.95 114.17 3dp3 s ARG 24 Ca 0.59 -2.06 -0.29 0.00 -1.72 0.00 0.00 55.73 52.26 3dp3 s ARG 24 Cb -0.45 0.00 -0.12 0.00 -0.45 0.00 0.00 34.95 33.93 3dp3 s ARG 24 CO 0.59 -0.58 1.47 0.98 -0.68 0.00 0.00 175.30 177.08 3dp3 n TYR 25 N -0.71 2.78 -2.02 -0.53 9.36 -1.26 0.15 117.16 124.94 3dp3 n TYR 25 Ca 0.03 0.42 -0.35 0.00 3.32 0.00 0.00 57.90 61.31 3dp3 n TYR 25 Cb 0.63 -2.52 0.03 0.00 -0.63 0.00 0.00 39.34 36.85 3dp3 n TYR 25 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3dp3 n PRO 26 N 0.97 2.96 -0.03 2.98 -0.04 -1.26 -4.93 135.00 135.65 3dp3 n PRO 26 Ca 0.04 -3.79 0.01 0.00 -0.04 0.00 0.00 63.50 59.72 3dp3 n PRO 26 Cb 0.37 -2.27 0.01 0.00 -0.04 0.00 0.00 33.50 31.58 3dp3 n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3dp3 n MET 27 N -0.57 1.81 -3.27 0.54 2.81 0.12 -4.95 117.12 113.62 3dp3 n MET 27 Ca 0.50 -1.27 -0.44 0.00 -1.81 0.00 0.00 57.70 54.68 3dp3 n MET 27 Cb 0.42 -0.87 -0.06 0.00 -0.71 0.00 0.00 33.22 31.99 3dp3 n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3dp3 s LEU 28 N -0.82 5.46 -0.40 4.03 2.96 -1.05 -4.67 118.68 124.19 3dp3 s LEU 28 Ca 0.03 -1.27 0.05 0.00 -0.22 0.00 0.00 54.13 52.72 3dp3 s LEU 28 Cb 0.02 -2.28 0.57 0.00 0.50 0.00 0.00 46.19 45.00 3dp3 s LEU 28 CO 0.00 -0.81 1.71 0.18 -1.32 0.00 0.00 176.35 176.11 3dp3 n LEU 29 N 5.65 5.67 -3.82 -0.68 4.77 -1.26 -4.88 117.00 122.46 3dp3 n LEU 29 Ca -0.10 -3.82 -0.25 0.00 -0.03 0.00 0.00 56.01 51.81 3dp3 n LEU 29 Cb 0.44 -0.75 -0.17 0.00 -2.33 0.00 0.00 43.42 40.61 3dp3 n LEU 29 CO 0.52 1.24 -0.40 -0.69 -1.33 0.00 0.00 177.39 176.72 3dp3 s VAL 30 N -3.50 0.63 -0.13 4.08 1.01 -1.26 -4.63 120.40 116.60 3dp3 s VAL 30 Ca 0.52 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.46 3dp3 s VAL 30 Cb 0.45 -0.76 -0.24 0.00 0.00 0.00 0.00 36.38 35.84 3dp3 s VAL 30 CO 0.05 0.27 0.32 0.47 0.00 0.00 0.00 175.10 176.21 3dp3 n ASP 31 N 5.06 1.50 -3.64 3.32 8.00 -0.04 -4.94 116.55 125.81 3dp3 n ASP 31 Ca -0.09 0.19 -0.15 0.00 0.71 0.00 0.00 54.79 55.44 3dp3 n ASP 31 Cb 0.50 -0.34 -0.07 0.00 -0.02 0.00 0.00 41.12 41.18 3dp3 n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3dp3 s ARG 32 N -2.56 0.84 -0.23 -1.24 3.52 -0.95 -2.98 118.95 115.35 3dp3 s ARG 32 Ca -0.18 0.13 -0.03 0.00 -0.13 0.00 0.00 55.73 55.52 3dp3 s ARG 32 Cb 0.07 0.39 0.01 0.00 -1.56 0.00 0.00 34.95 33.86 3dp3 s ARG 32 CO 0.76 -0.23 -0.05 0.42 -0.81 0.00 0.00 175.30 175.39 3dp3 s ILE 33 N -1.05 3.16 -0.11 4.11 1.01 0.02 -1.07 121.20 127.27 3dp3 s ILE 33 Ca -0.11 -0.72 0.15 0.00 0.00 0.00 0.00 60.65 59.98 3dp3 s ILE 33 Cb -0.03 -2.50 -0.23 0.00 0.01 0.00 0.00 42.46 39.71 3dp3 s ILE 33 CO 0.06 0.33 0.48 0.35 0.00 0.00 0.00 174.94 176.16 3dp3 n THR 34 N 4.75 1.43 -3.86 2.92 -2.24 -0.13 -1.04 114.28 116.10 3dp3 n THR 34 Ca -0.18 -0.80 -0.12 0.00 -2.27 0.00 0.00 64.05 60.69 3dp3 n THR 34 Cb 0.49 -0.77 -0.13 0.00 -2.10 0.00 0.00 70.33 67.82 3dp3 n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dp3 s GLU 35 N -2.63 0.15 -0.17 -0.78 2.02 -0.63 -4.25 118.70 112.40 3dp3 s GLU 35 Ca -0.06 -0.01 -0.06 0.00 0.02 0.00 0.00 54.97 54.86 3dp3 s GLU 35 Cb 0.08 0.06 0.08 0.00 0.10 0.00 0.00 34.13 34.45 3dp3 s GLU 35 CO 0.83 -0.02 0.34 -1.17 0.02 0.00 0.00 175.26 175.25 3dp3 s LEU 36 N -0.24 -0.47 -0.26 1.80 1.98 -1.26 -1.27 118.68 118.96 3dp3 s LEU 36 Ca -0.03 0.74 0.02 0.00 -2.89 0.00 0.00 54.13 51.97 3dp3 s LEU 36 Cb -0.02 1.01 0.07 0.00 0.66 0.00 0.00 46.19 47.91 3dp3 s LEU 36 CO 0.00 -0.24 -0.04 -1.10 -1.89 0.00 0.00 176.35 173.09 3dp3 s GLN 37 N 2.51 1.64 0.12 1.98 -0.21 0.66 -4.77 119.66 121.61 3dp3 s GLN 37 Ca 0.01 -1.21 -0.35 0.00 0.02 0.00 0.00 55.36 53.83 3dp3 s GLN 37 Cb -0.12 -2.70 -0.17 0.00 1.00 0.00 0.00 33.01 31.03 3dp3 s GLN 37 CO -0.11 -0.68 1.16 0.00 -2.12 0.00 0.00 175.29 173.55 3dp3 n ALA 38 N 4.57 -1.38 -0.80 6.09 0.00 -1.26 -0.56 120.51 127.17 3dp3 n ALA 38 Ca -0.09 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3dp3 n ALA 38 Cb 0.43 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.90 3dp3 n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dp3 n ASN 39 N 2.09 -2.76 0.06 0.00 4.13 -1.26 -4.74 115.26 112.78 3dp3 n ASN 39 Ca 0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.43 3dp3 n ASN 39 Cb 0.21 -2.49 0.00 0.00 -1.54 0.00 0.00 39.78 35.95 3dp3 n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dp3 n GLN 40 N -0.86 0.00 -3.78 3.52 1.13 0.27 -4.60 117.38 113.07 3dp3 n GLN 40 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 3dp3 n GLN 40 Cb 0.21 -0.24 -0.02 0.00 0.11 0.00 0.00 30.24 30.30 3dp3 n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3dp3 s LYS 41 N -1.73 1.66 -0.03 -1.09 -2.85 -0.55 -0.47 119.74 114.69 3dp3 s LYS 41 Ca 0.00 -0.90 -0.08 0.00 -1.00 0.00 0.00 55.97 53.99 3dp3 s LYS 41 Cb 0.00 0.59 0.01 0.00 -2.06 0.00 0.00 37.83 36.38 3dp3 s LYS 41 CO 0.00 -0.75 0.19 -1.50 0.10 0.00 0.00 175.35 173.39 3dp3 s ILE 42 N -3.89 0.05 -0.08 3.79 2.07 -0.23 -0.24 121.20 122.66 3dp3 s ILE 42 Ca 0.10 -0.41 0.00 0.00 -1.41 0.00 0.00 60.65 58.93 3dp3 s ILE 42 Cb -0.05 -0.41 0.02 0.00 0.13 0.00 0.00 42.46 42.16 3dp3 s ILE 42 CO 0.03 -0.23 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.08 3dp3 s VAL 43 N -0.83 0.85 0.26 4.00 1.01 -0.39 -2.24 120.40 123.04 3dp3 s VAL 43 Ca -0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 3dp3 s VAL 43 Cb -0.05 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 3dp3 s VAL 43 CO 0.01 0.32 0.35 0.00 0.00 0.00 0.00 175.10 175.79 3dp3 s ALA 44 N 1.40 0.58 0.21 5.51 0.00 -0.63 -0.96 121.76 127.87 3dp3 s ALA 44 Ca -0.02 -1.37 -0.14 0.00 0.00 0.00 0.00 51.96 50.44 3dp3 s ALA 44 Cb -0.13 1.22 0.01 0.00 0.00 0.00 0.00 23.12 24.21 3dp3 s ALA 44 CO -0.04 -0.74 0.46 1.52 0.00 0.00 0.00 175.76 176.96 3dp3 s TYR 45 N -3.80 0.18 -0.03 0.00 1.13 -0.23 0.21 117.35 114.81 3dp3 s TYR 45 Ca 0.31 -0.54 0.01 0.00 -1.41 0.00 0.00 57.07 55.43 3dp3 s TYR 45 Cb 0.02 0.23 0.02 0.00 -1.10 0.00 0.00 41.96 41.14 3dp3 s TYR 45 CO 0.14 -0.92 -0.01 0.21 -2.51 0.00 0.00 175.55 172.46 3dp3 s LYS 46 N -3.95 0.35 0.23 -3.49 2.20 0.05 -0.86 119.74 114.26 3dp3 s LYS 46 Ca 0.16 0.04 -0.29 0.00 -0.36 0.00 0.00 55.97 55.52 3dp3 s LYS 46 Cb -0.00 -0.49 -0.09 0.00 -1.51 0.00 0.00 37.83 35.74 3dp3 s LYS 46 CO 0.03 -0.11 0.91 -0.80 -0.36 0.00 0.00 175.35 175.02 3dp3 s ASN 47 N 0.90 7.60 -0.19 1.43 0.01 -1.26 -0.86 114.94 122.57 3dp3 s ASN 47 Ca -0.09 1.89 -0.05 0.00 -0.71 0.00 0.00 52.86 53.89 3dp3 s ASN 47 Cb -0.13 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.92 3dp3 s ASN 47 CO -0.01 0.17 -0.00 -0.63 -1.51 0.00 0.00 177.10 175.11 3dp3 s ILE 48 N -1.18 4.05 0.06 0.60 -1.09 0.09 -4.92 121.20 118.82 3dp3 s ILE 48 Ca 0.40 -0.29 0.02 0.00 -2.23 0.00 0.00 60.65 58.55 3dp3 s ILE 48 Cb -0.25 -2.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.78 3dp3 s ILE 48 CO 0.31 0.45 -0.07 0.28 -1.23 0.00 0.00 174.94 174.67 3dp3 s THR 49 N 0.77 0.59 0.45 2.92 -1.32 -1.26 0.04 115.64 117.83 3dp3 s THR 49 Ca 0.00 -1.45 0.18 0.00 -1.21 0.00 0.00 61.69 59.21 3dp3 s THR 49 Cb -0.14 -1.07 0.22 0.00 -1.51 0.00 0.00 72.50 69.99 3dp3 s THR 49 CO 0.02 -0.61 2.03 0.15 -2.21 0.00 0.00 174.62 174.00 3dp3 h PHE 50 N 3.83 0.00 0.00 9.09 3.57 -1.96 -3.22 116.94 128.26 3dp3 h PHE 50 Ca -0.35 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.15 3dp3 h PHE 50 Cb 1.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.92 3dp3 h PHE 50 CO 0.62 0.15 0.00 -1.71 -2.23 0.00 0.00 178.31 175.14 3dp3 n ASN 51 N -4.18 2.49 -4.34 0.41 4.05 -1.26 -4.74 115.26 107.68 3dp3 n ASN 51 Ca -0.02 -1.54 -0.32 0.00 0.45 0.00 0.00 54.58 53.15 3dp3 n ASN 51 Cb 0.23 -0.50 -0.15 0.00 1.23 0.00 0.00 39.78 40.58 3dp3 n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3dp3 s GLU 52 N 0.75 2.76 0.29 1.20 2.02 -1.22 -5.03 118.70 119.47 3dp3 s GLU 52 Ca 0.00 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.22 3dp3 s GLU 52 Cb 0.00 -2.33 0.68 0.00 0.10 0.00 0.00 34.13 32.58 3dp3 s GLU 52 CO 0.00 0.39 1.77 0.22 0.02 0.00 0.00 175.26 177.66 3dp3 h ASP 53 N 6.07 0.70 -1.06 -0.19 -0.00 -1.94 -2.32 116.42 117.68 3dp3 h ASP 53 Ca -0.33 0.10 0.28 0.00 -0.00 0.00 0.00 57.03 57.08 3dp3 h ASP 53 Cb 1.18 -0.02 -0.09 0.00 -0.00 0.00 0.00 39.33 40.39 3dp3 h ASP 53 CO 0.50 0.26 0.69 1.62 -0.00 0.00 0.00 179.24 182.30 3dp3 h VAL 54 N 0.72 0.49 0.00 2.25 3.04 -1.95 -0.79 116.25 120.01 3dp3 h VAL 54 Ca 0.55 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 66.11 3dp3 h VAL 54 Cb 0.83 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 3dp3 h VAL 54 CO -0.38 0.07 0.00 -0.26 -1.01 0.00 0.00 177.57 175.98 3dp3 h PHE 55 N 0.36 0.00 -0.26 3.17 0.05 -1.70 -2.30 116.94 116.26 3dp3 h PHE 55 Ca 0.61 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.40 3dp3 h PHE 55 Cb 1.60 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.54 3dp3 h PHE 55 CO -0.00 0.00 0.17 -0.91 -0.18 0.00 0.00 178.31 177.39 3dp3 h ASN 56 N 0.00 0.30 -0.01 2.17 2.35 -1.31 -3.18 115.58 115.89 3dp3 h ASN 56 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3dp3 h ASN 56 Cb 0.32 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3dp3 h ASN 56 CO 0.00 0.22 0.00 0.61 -1.65 0.00 0.00 177.43 176.61 3dp3 n GLY 57 N -1.50 0.48 2.22 2.83 0.00 -0.90 -4.13 105.19 104.19 3dp3 n GLY 57 Ca 0.01 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 3dp3 n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3dp3 n HIS 58 N -0.16 -0.38 -4.27 1.61 -0.00 -0.97 -4.47 115.22 106.58 3dp3 n HIS 58 Ca 0.01 -3.54 -0.15 0.00 -0.00 0.00 0.00 57.72 54.04 3dp3 n HIS 58 Cb 0.12 -0.28 -0.10 0.00 -0.00 0.00 0.00 29.99 29.74 3dp3 n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3dp3 s PHE 59 N -1.04 1.32 0.12 1.57 0.08 0.11 -0.77 117.98 119.36 3dp3 s PHE 59 Ca 0.35 -0.84 -0.34 0.00 0.12 0.00 0.00 56.93 56.22 3dp3 s PHE 59 Cb 0.15 -0.71 -0.14 0.00 -0.57 0.00 0.00 43.02 41.75 3dp3 s PHE 59 CO -0.12 0.00 1.62 -2.30 -0.10 0.00 0.00 175.22 174.32 3dp3 n PRO 60 N -0.26 2.12 -0.99 0.24 -0.02 -1.26 -0.51 135.00 134.33 3dp3 n PRO 60 Ca -0.08 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3dp3 n PRO 60 Cb 0.62 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3dp3 n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3dp3 n ASN 61 N 3.89 -4.25 -2.75 2.55 5.03 -1.26 -4.88 115.26 113.58 3dp3 n ASN 61 Ca 0.18 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.58 3dp3 n ASN 61 Cb 0.29 -1.90 0.02 0.00 -1.02 0.00 0.00 39.78 37.16 3dp3 n ASN 61 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 3dp3 n LYS 62 N -1.12 0.52 -1.82 3.52 4.81 0.34 -5.13 118.16 119.28 3dp3 n LYS 62 Ca 0.00 -1.86 -0.42 0.00 -0.87 0.00 0.00 58.31 55.15 3dp3 n LYS 62 Cb 0.23 -1.30 -0.03 0.00 0.02 0.00 0.00 35.03 33.95 3dp3 n LYS 62 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3dp3 s PRO 63 N 0.85 3.86 -0.06 1.64 0.04 -1.22 -0.71 135.00 139.40 3dp3 s PRO 63 Ca 0.30 2.20 -0.02 0.00 0.04 0.00 0.00 61.00 63.52 3dp3 s PRO 63 Cb 0.04 -4.15 0.03 0.00 0.04 0.00 0.00 34.50 30.47 3dp3 s PRO 63 CO -0.08 -1.25 0.03 0.42 0.04 0.00 0.00 177.00 176.15 3dp3 s ILE 64 N 5.36 0.18 0.05 0.56 1.01 0.05 -4.56 121.20 123.84 3dp3 s ILE 64 Ca 0.84 0.25 -0.30 0.00 0.00 0.00 0.00 60.65 61.44 3dp3 s ILE 64 Cb -0.35 -0.37 -0.08 0.00 0.01 0.00 0.00 42.46 41.67 3dp3 s ILE 64 CO 0.35 0.23 1.71 0.12 0.00 0.00 0.00 174.94 177.35 3dp3 s PHE 65 N 2.04 2.18 0.14 3.97 5.36 -0.04 -4.57 117.98 127.06 3dp3 s PHE 65 Ca 0.05 0.16 -0.35 0.00 -0.96 0.00 0.00 56.93 55.83 3dp3 s PHE 65 Cb -0.12 -4.02 -0.15 0.00 -0.34 0.00 0.00 43.02 38.39 3dp3 s PHE 65 CO -0.04 -4.19 1.43 -2.30 -1.46 0.00 0.00 175.22 168.66 3dp3 n PRO 66 N 6.09 1.63 -0.27 10.12 -0.02 -1.26 -4.62 135.00 146.68 3dp3 n PRO 66 Ca 0.17 0.59 0.05 0.00 -2.02 0.00 0.00 63.50 62.28 3dp3 n PRO 66 Cb 0.41 -2.27 0.27 0.00 -0.02 0.00 0.00 33.50 31.89 3dp3 n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3dp3 h GLY 67 N 4.96 1.22 2.00 -1.23 0.00 -1.99 -0.95 103.07 107.08 3dp3 h GLY 67 Ca -0.46 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 3dp3 h GLY 67 CO 0.81 0.27 -0.20 -0.39 0.00 0.00 0.00 176.54 177.04 3dp3 h VAL 68 N 0.95 0.71 0.00 4.60 -1.51 -2.00 -1.89 116.25 117.11 3dp3 h VAL 68 Ca 0.37 -0.84 -0.05 0.00 -1.23 0.00 0.00 66.70 64.95 3dp3 h VAL 68 Cb 0.23 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 3dp3 h VAL 68 CO -0.14 0.20 -0.31 -0.07 -1.23 0.00 0.00 177.57 176.02 3dp3 h LEU 69 N 0.00 0.00 -0.36 4.19 3.38 -1.55 -1.36 115.31 119.61 3dp3 h LEU 69 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3dp3 h LEU 69 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3dp3 h LEU 69 CO 0.03 0.21 -0.28 0.40 0.09 0.00 0.00 178.44 178.88 3dp3 h ILE 70 N 0.00 1.28 -0.62 1.22 2.04 -0.82 -1.20 117.51 119.41 3dp3 h ILE 70 Ca -0.01 -1.44 -0.09 0.00 1.00 0.00 0.00 64.86 64.32 3dp3 h ILE 70 Cb 1.17 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 3dp3 h ILE 70 CO 0.03 0.48 0.04 0.58 0.00 0.00 0.00 178.15 179.27 3dp3 h VAL 71 N 0.61 1.26 -0.80 1.67 2.07 -1.34 -1.41 116.25 118.33 3dp3 h VAL 71 Ca 0.07 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3dp3 h VAL 71 Cb 0.86 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3dp3 h VAL 71 CO 0.07 0.40 0.50 -0.08 0.02 0.00 0.00 177.57 178.49 3dp3 h GLU 72 N 0.97 1.07 -0.45 1.57 4.57 -1.05 0.78 114.58 122.04 3dp3 h GLU 72 Ca 0.18 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 3dp3 h GLU 72 Cb 0.51 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 3dp3 h GLU 72 CO 0.02 0.74 0.03 0.78 -1.18 0.00 0.00 179.01 179.39 3dp3 h GLY 73 N 1.09 0.77 1.02 1.92 0.00 -0.82 -0.51 103.07 106.53 3dp3 h GLY 73 Ca 0.29 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 3dp3 h GLY 73 CO -0.06 0.44 -0.29 -0.33 0.00 0.00 0.00 176.54 176.31 3dp3 h MET 74 N 0.68 0.78 -0.40 4.80 2.86 -0.51 -1.85 114.93 121.28 3dp3 h MET 74 Ca 0.14 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3dp3 h MET 74 Cb 0.38 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 3dp3 h MET 74 CO 0.01 1.03 0.24 0.00 1.06 0.00 0.00 176.91 179.25 3dp3 h ALA 75 N 0.74 0.51 -0.82 6.32 0.00 -0.47 0.96 119.26 126.50 3dp3 h ALA 75 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3dp3 h ALA 75 Cb 0.86 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3dp3 h ALA 75 CO 0.07 -0.00 0.42 1.96 0.00 0.00 0.00 179.25 181.70 3dp3 h GLN 76 N 0.53 1.16 -0.53 0.00 4.20 -1.06 0.36 115.11 119.77 3dp3 h GLN 76 Ca 0.14 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3dp3 h GLN 76 Cb -0.01 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 3dp3 h GLN 76 CO -0.03 0.87 0.19 0.77 -0.67 0.00 0.00 178.83 179.96 3dp3 h SER 77 N 1.15 0.76 -0.59 1.46 0.02 -0.90 -0.59 113.55 114.85 3dp3 h SER 77 Ca 0.28 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 3dp3 h SER 77 Cb 0.07 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3dp3 h SER 77 CO -0.04 0.74 0.22 1.23 -1.14 0.00 0.00 176.83 177.84 3dp3 h GLY 78 N 0.73 0.97 1.34 -3.77 0.00 -0.14 -1.04 103.07 101.15 3dp3 h GLY 78 Ca 0.17 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 3dp3 h GLY 78 CO -0.01 0.51 0.09 -1.33 0.00 0.00 0.00 176.54 175.81 3dp3 h GLY 79 N 0.83 0.89 1.04 4.60 0.00 -0.06 -0.80 103.07 109.57 3dp3 h GLY 79 Ca 0.19 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 3dp3 h GLY 79 CO -0.01 0.50 0.19 -2.75 0.00 0.00 0.00 176.54 174.47 3dp3 h PHE 80 N 0.79 1.12 0.21 5.60 3.57 -0.69 -0.70 116.94 126.85 3dp3 h PHE 80 Ca 0.17 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3dp3 h PHE 80 Cb 0.34 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3dp3 h PHE 80 CO 0.02 0.91 -0.10 1.25 -2.23 0.00 0.00 178.31 178.16 3dp3 h LEU 81 N 1.01 -0.24 0.04 0.59 5.85 -0.59 -1.23 115.31 120.73 3dp3 h LEU 81 Ca 0.22 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3dp3 h LEU 81 Cb 0.33 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3dp3 h LEU 81 CO -0.00 -0.15 -0.02 0.00 -0.34 0.00 0.00 178.44 177.93 3dp3 h ALA 82 N 0.46 -0.05 -0.07 1.25 0.00 -0.98 0.82 119.26 120.68 3dp3 h ALA 82 Ca -0.03 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3dp3 h ALA 82 Cb 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3dp3 h ALA 82 CO 0.05 -0.53 -0.00 0.35 0.00 0.00 0.00 179.25 179.12 3dp3 h PHE 83 N -0.06 -0.01 -0.42 0.00 3.57 -1.13 -2.85 116.94 116.04 3dp3 h PHE 83 Ca -0.01 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 3dp3 h PHE 83 Cb 0.05 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3dp3 h PHE 83 CO -0.07 -0.01 -0.04 1.15 -2.23 0.00 0.00 178.31 177.10 3dp3 h THR 84 N 0.02 1.24 -0.41 4.41 2.02 -1.11 -0.32 112.91 118.76 3dp3 h THR 84 Ca 0.03 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.21 3dp3 h THR 84 Cb 0.04 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3dp3 h THR 84 CO -0.06 0.35 0.27 0.28 0.37 0.00 0.00 175.52 176.73 3dp3 h SER 85 N 0.65 0.45 0.12 4.18 0.02 -0.63 0.83 113.55 119.18 3dp3 h SER 85 Ca 0.13 -0.01 -0.36 0.00 -0.84 0.00 0.00 61.79 60.71 3dp3 h SER 85 Cb 0.47 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3dp3 h SER 85 CO 0.02 0.33 -1.93 -0.07 -1.14 0.00 0.00 176.83 174.04 3dp3 h LEU 86 N 0.53 0.41 -0.93 5.07 3.38 -1.27 -3.43 115.31 119.07 3dp3 h LEU 86 Ca 0.15 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.19 3dp3 h LEU 86 Cb -0.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3dp3 h LEU 86 CO -0.03 1.84 0.00 0.79 0.09 0.00 0.00 178.44 181.12 3dp3 n TRP 87 N -3.55 0.00 -4.83 1.13 8.01 -0.15 -5.13 117.44 112.92 3dp3 n TRP 87 Ca -0.31 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.88 3dp3 n TRP 87 Cb 1.03 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.33 3dp3 n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dp3 n GLY 88 N 0.06 0.53 3.53 6.99 0.00 0.29 -4.06 105.19 112.52 3dp3 n GLY 88 Ca 0.00 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 3dp3 n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dp3 s PHE 89 N 0.00 2.82 -0.40 1.61 5.36 -1.26 -4.44 117.98 121.67 3dp3 s PHE 89 Ca 0.00 -1.28 0.02 0.00 -0.96 0.00 0.00 56.93 54.72 3dp3 s PHE 89 Cb 0.00 -4.58 0.12 0.00 -0.34 0.00 0.00 43.02 38.22 3dp3 s PHE 89 CO 0.00 -1.75 0.17 0.34 -1.46 0.00 0.00 175.22 172.51 3dp3 s ASP 90 N 4.29 4.10 0.21 6.13 -1.08 -1.26 -4.98 116.67 124.08 3dp3 s ASP 90 Ca 0.45 -2.37 -0.09 0.00 -0.52 0.00 0.00 52.55 50.02 3dp3 s ASP 90 Cb -0.00 -1.23 0.25 0.00 -1.46 0.00 0.00 42.92 40.48 3dp3 s ASP 90 CO -0.05 -0.32 1.81 -0.65 0.52 0.00 0.00 175.17 176.48 3dp3 h PRO 91 N 7.19 0.67 0.21 4.34 0.11 -1.91 -1.26 132.00 141.36 3dp3 h PRO 91 Ca -0.06 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.02 3dp3 h PRO 91 Cb 0.96 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.88 3dp3 h PRO 91 CO 0.53 0.44 -0.49 0.93 -0.21 0.00 0.00 178.00 179.20 3dp3 h GLU 92 N 0.69 -0.75 0.00 1.05 5.08 -1.94 -2.10 114.58 116.61 3dp3 h GLU 92 Ca 0.31 0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.68 3dp3 h GLU 92 Cb 0.21 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3dp3 h GLU 92 CO -0.19 -0.50 -0.20 0.82 -1.00 0.00 0.00 179.01 177.94 3dp3 h ILE 93 N -0.78 1.04 -0.77 3.13 2.04 -1.95 -2.69 117.51 117.53 3dp3 h ILE 93 Ca -0.01 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.22 3dp3 h ILE 93 Cb 0.76 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 38.18 3dp3 h ILE 93 CO -0.22 0.19 0.51 0.00 0.00 0.00 0.00 178.15 178.63 3dp3 h ALA 94 N 1.80 1.65 0.00 1.87 0.00 -0.54 -0.22 119.26 123.82 3dp3 h ALA 94 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dp3 h ALA 94 Cb 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3dp3 h ALA 94 CO 0.03 0.24 0.00 0.87 0.00 0.00 0.00 179.25 180.38 3dp3 h LYS 95 N 0.83 0.00 -0.36 0.00 1.57 -1.20 -2.89 116.57 114.51 3dp3 h LYS 95 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3dp3 h LYS 95 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3dp3 h LYS 95 CO -0.11 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.02 3dp3 n THR 96 N -2.53 0.47 -4.23 -0.16 -2.24 -0.10 -4.75 114.28 100.74 3dp3 n THR 96 Ca 0.02 -0.65 -0.19 0.00 -2.27 0.00 0.00 64.05 60.95 3dp3 n THR 96 Cb 0.28 0.75 -0.12 0.00 -2.10 0.00 0.00 70.33 69.14 3dp3 n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3dp3 s LYS 97 N -1.53 1.00 -0.05 -0.78 -0.14 -1.09 -0.09 119.74 117.05 3dp3 s LYS 97 Ca 0.37 -1.15 0.03 0.00 -1.36 0.00 0.00 55.97 53.86 3dp3 s LYS 97 Cb 0.21 -1.00 0.00 0.00 -1.68 0.00 0.00 37.83 35.37 3dp3 s LYS 97 CO 0.30 0.21 -0.15 0.96 -0.76 0.00 0.00 175.35 175.91 3dp3 s ILE 98 N -1.70 1.30 -0.41 2.17 -4.36 0.82 -4.52 121.20 114.50 3dp3 s ILE 98 Ca 0.06 -0.61 -0.03 0.00 -0.26 0.00 0.00 60.65 59.80 3dp3 s ILE 98 Cb -0.07 -1.14 0.11 0.00 1.25 0.00 0.00 42.46 42.60 3dp3 s ILE 98 CO 0.03 0.38 0.20 -0.69 0.24 0.00 0.00 174.94 175.11 3dp3 s VAL 99 N 0.30 3.31 0.07 8.37 1.01 -1.26 -1.23 120.40 130.98 3dp3 s VAL 99 Ca -0.09 -2.03 0.04 0.00 0.00 0.00 0.00 61.98 59.90 3dp3 s VAL 99 Cb -0.13 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3dp3 s VAL 99 CO 0.03 -0.68 0.02 -0.72 0.00 0.00 0.00 175.10 173.75 3dp3 s TYR 100 N 1.15 3.05 -0.16 5.22 -0.85 -1.01 -4.96 117.35 119.79 3dp3 s TYR 100 Ca 0.08 0.02 -0.16 0.00 -0.52 0.00 0.00 57.07 56.49 3dp3 s TYR 100 Cb -0.23 -1.58 -0.04 0.00 0.38 0.00 0.00 41.96 40.49 3dp3 s TYR 100 CO -0.04 0.48 0.38 -0.06 -1.52 0.00 0.00 175.55 174.80 3dp3 s PHE 101 N -1.28 3.44 -0.18 -3.49 0.40 -1.26 -1.32 117.98 114.30 3dp3 s PHE 101 Ca 0.25 0.68 -0.23 0.00 -0.60 0.00 0.00 56.93 57.04 3dp3 s PHE 101 Cb -0.12 -2.47 -0.22 0.00 0.51 0.00 0.00 43.02 40.73 3dp3 s PHE 101 CO 0.17 0.13 0.41 0.52 0.70 0.00 0.00 175.22 177.15 3dp3 h MET 102 N 6.94 0.03 -4.75 0.44 2.86 -1.25 -3.49 114.93 115.72 3dp3 h MET 102 Ca -0.39 -0.06 -0.28 0.00 -2.06 0.00 0.00 59.70 56.91 3dp3 h MET 102 Cb 1.17 0.02 -0.15 0.00 0.06 0.00 0.00 31.60 32.70 3dp3 h MET 102 CO 0.74 1.03 -0.66 0.95 1.06 0.00 0.00 176.91 180.04 3dp3 s THR 103 N -2.34 0.57 -0.12 2.22 -4.23 -1.08 -5.00 115.64 105.66 3dp3 s THR 103 Ca -0.25 -1.97 -0.09 0.00 -1.18 0.00 0.00 61.69 58.20 3dp3 s THR 103 Cb 0.03 -2.16 0.04 0.00 1.34 0.00 0.00 72.50 71.75 3dp3 s THR 103 CO 0.64 -0.42 0.30 -0.63 -0.54 0.00 0.00 174.62 173.97 3dp3 s ILE 104 N -3.73 -0.02 0.22 2.99 1.01 -1.26 -1.75 121.20 118.67 3dp3 s ILE 104 Ca 0.25 0.06 -0.18 0.00 0.00 0.00 0.00 60.65 60.78 3dp3 s ILE 104 Cb 0.06 -0.43 0.02 0.00 0.01 0.00 0.00 42.46 42.12 3dp3 s ILE 104 CO 0.05 0.02 0.56 -0.62 0.00 0.00 0.00 174.94 174.95 3dp3 s ASP 105 N 0.65 -0.24 -1.46 3.58 2.15 0.27 -4.95 116.67 116.67 3dp3 s ASP 105 Ca -0.04 -0.57 -0.09 0.00 0.43 0.00 0.00 52.55 52.28 3dp3 s ASP 105 Cb -0.05 0.62 0.03 0.00 -0.30 0.00 0.00 42.92 43.22 3dp3 s ASP 105 CO -0.04 -1.14 0.85 0.29 -0.17 0.00 0.00 175.17 174.97 3dp3 n LYS 106 N -0.38 -5.80 -3.00 4.34 4.01 -1.26 -0.97 118.16 115.10 3dp3 n LYS 106 Ca -0.07 0.76 -0.40 0.00 -0.51 0.00 0.00 58.31 58.09 3dp3 n LYS 106 Cb 0.62 -5.67 -0.04 0.00 -0.51 0.00 0.00 35.03 29.42 3dp3 n LYS 106 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3dp3 s VAL 107 N -3.22 4.99 -0.02 -0.18 1.01 -1.26 -3.87 120.40 117.86 3dp3 s VAL 107 Ca 0.48 1.54 0.01 0.00 0.00 0.00 0.00 61.98 64.01 3dp3 s VAL 107 Cb -0.23 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.09 3dp3 s VAL 107 CO 0.60 0.25 -0.01 -0.54 0.00 0.00 0.00 175.10 175.41 3dp3 s LYS 108 N 0.72 0.28 -0.22 2.72 1.02 -0.35 -4.97 119.74 118.94 3dp3 s LYS 108 Ca 0.39 0.03 -0.05 0.00 0.02 0.00 0.00 55.97 56.36 3dp3 s LYS 108 Cb -0.18 -0.41 -0.02 0.00 -0.52 0.00 0.00 37.83 36.70 3dp3 s LYS 108 CO 0.20 -0.08 -0.00 -0.06 -0.92 0.00 0.00 175.35 174.48 3dp3 s PHE 109 N 0.74 3.01 -0.17 3.18 0.40 -1.26 -1.06 117.98 122.81 3dp3 s PHE 109 Ca -0.07 -0.67 0.02 0.00 -0.60 0.00 0.00 56.93 55.61 3dp3 s PHE 109 Cb -0.10 -2.13 -0.12 0.00 0.51 0.00 0.00 43.02 41.18 3dp3 s PHE 109 CO -0.01 -0.41 -0.14 0.54 0.70 0.00 0.00 175.22 175.90 3dp3 n ARG 110 N 4.66 0.54 -4.38 0.44 1.74 0.26 -4.98 116.66 114.94 3dp3 n ARG 110 Ca -0.17 0.09 -0.19 0.00 -0.77 0.00 0.00 57.85 56.81 3dp3 n ARG 110 Cb 0.51 -1.35 -0.15 0.00 -1.02 0.00 0.00 32.46 30.45 3dp3 n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dp3 s ILE 111 N -2.35 0.73 0.24 0.55 1.01 -0.99 -5.04 121.20 115.35 3dp3 s ILE 111 Ca -0.22 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 3dp3 s ILE 111 Cb 0.06 -0.61 -0.09 0.00 0.01 0.00 0.00 42.46 41.83 3dp3 s ILE 111 CO 0.42 0.21 1.12 -2.16 0.00 0.00 0.00 174.94 174.53 3dp3 s PRO 112 N -0.16 4.60 -0.18 2.79 0.04 -1.26 -4.79 135.00 136.03 3dp3 s PRO 112 Ca 0.03 1.80 -0.13 0.00 0.04 0.00 0.00 61.00 62.74 3dp3 s PRO 112 Cb -0.04 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 3dp3 s PRO 112 CO -0.00 0.12 0.26 0.08 0.04 0.00 0.00 177.00 177.49 3dp3 s VAL 113 N -0.75 5.32 0.30 -0.36 1.01 -1.26 -5.03 120.40 119.64 3dp3 s VAL 113 Ca 0.47 0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.94 3dp3 s VAL 113 Cb -0.32 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 3dp3 s VAL 113 CO 0.39 0.38 0.06 0.42 0.00 0.00 0.00 175.10 176.35 3dp3 s THR 114 N 0.60 1.04 0.21 3.92 -4.23 -1.26 -0.86 115.64 115.06 3dp3 s THR 114 Ca 0.14 -2.01 -0.32 0.00 -1.18 0.00 0.00 61.69 58.32 3dp3 s THR 114 Cb -0.13 -2.72 -0.14 0.00 1.34 0.00 0.00 72.50 70.85 3dp3 s THR 114 CO 0.03 -0.03 1.38 -2.65 -0.54 0.00 0.00 174.62 172.81 3dp3 n PRO 115 N -0.61 1.84 0.00 3.99 -0.02 -1.26 -1.86 135.00 137.07 3dp3 n PRO 115 Ca -0.02 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3dp3 n PRO 115 Cb 0.66 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3dp3 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dp3 n GLY 116 N 2.33 1.38 3.81 -1.23 0.00 0.11 -4.92 105.19 106.67 3dp3 n GLY 116 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3dp3 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dp3 s ASP 117 N -1.78 7.08 -0.54 1.61 -0.00 -0.78 -4.90 116.67 117.37 3dp3 s ASP 117 Ca 0.00 1.35 -0.17 0.00 -0.00 0.00 0.00 52.55 53.74 3dp3 s ASP 117 Cb 0.00 -2.39 0.11 0.00 -0.00 0.00 0.00 42.92 40.64 3dp3 s ASP 117 CO 0.00 0.14 0.52 -0.60 -0.00 0.00 0.00 175.17 175.24 3dp3 s ARG 118 N -1.58 3.00 -0.70 8.23 3.52 -1.26 -0.73 118.95 129.43 3dp3 s ARG 118 Ca 0.37 -1.56 -0.26 0.00 -0.13 0.00 0.00 55.73 54.15 3dp3 s ARG 118 Cb -0.18 -4.26 0.04 0.00 -1.56 0.00 0.00 34.95 28.99 3dp3 s ARG 118 CO 0.21 -1.31 1.19 -1.17 -0.81 0.00 0.00 175.30 173.41 3dp3 s LEU 119 N 1.83 3.49 -0.10 -0.88 2.96 -0.04 -4.43 118.68 121.50 3dp3 s LEU 119 Ca 0.05 -0.52 -0.19 0.00 -0.22 0.00 0.00 54.13 53.25 3dp3 s LEU 119 Cb -0.28 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 3dp3 s LEU 119 CO 0.04 -1.70 0.52 -0.70 -1.32 0.00 0.00 176.35 173.19 3dp3 s GLU 120 N 5.24 4.34 -0.18 1.98 2.12 0.08 -0.77 118.70 131.52 3dp3 s GLU 120 Ca 0.33 0.54 -0.08 0.00 0.36 0.00 0.00 54.97 56.12 3dp3 s GLU 120 Cb -0.10 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 3dp3 s GLU 120 CO 0.15 0.17 0.07 0.71 -0.54 0.00 0.00 175.26 175.82 3dp3 s TYR 121 N 0.55 3.29 -0.27 5.30 1.51 0.58 0.12 117.35 128.42 3dp3 s TYR 121 Ca 0.28 0.14 0.01 0.00 -1.01 0.00 0.00 57.07 56.49 3dp3 s TYR 121 Cb -0.16 -2.07 0.08 0.00 -0.11 0.00 0.00 41.96 39.70 3dp3 s TYR 121 CO 0.12 0.21 -0.00 -1.01 -1.11 0.00 0.00 175.55 173.76 3dp3 s HIS 122 N 0.26 2.63 0.04 2.71 3.76 0.68 -1.61 115.29 123.75 3dp3 s HIS 122 Ca 0.05 -2.07 0.06 0.00 -0.15 0.00 0.00 55.06 52.95 3dp3 s HIS 122 Cb -0.12 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.62 3dp3 s HIS 122 CO -0.00 -0.84 -0.18 -0.51 -0.85 0.00 0.00 174.74 172.36 3dp3 s LEU 123 N 1.31 2.17 0.11 0.89 2.01 -0.95 -0.38 118.68 123.84 3dp3 s LEU 123 Ca 0.01 -0.50 0.04 0.00 0.01 0.00 0.00 54.13 53.69 3dp3 s LEU 123 Cb -0.19 -0.81 -0.04 0.00 0.01 0.00 0.00 46.19 45.17 3dp3 s LEU 123 CO -0.10 0.10 -0.11 -1.83 1.01 0.00 0.00 176.35 175.43 3dp3 s GLU 124 N -1.19 0.90 -0.40 1.70 -1.05 -0.00 -1.07 118.70 117.59 3dp3 s GLU 124 Ca 0.05 -1.22 -0.29 0.00 -0.15 0.00 0.00 54.97 53.36 3dp3 s GLU 124 Cb -0.08 -0.60 0.02 0.00 -0.44 0.00 0.00 34.13 33.03 3dp3 s GLU 124 CO 0.02 0.09 1.13 0.08 0.95 0.00 0.00 175.26 177.53 3dp3 s VAL 125 N -2.55 4.32 0.05 1.83 1.01 0.39 -1.81 120.40 123.64 3dp3 s VAL 125 Ca 0.08 1.43 -0.12 0.00 0.00 0.00 0.00 61.98 63.37 3dp3 s VAL 125 Cb -0.02 -4.49 -0.31 0.00 0.00 0.00 0.00 36.38 31.56 3dp3 s VAL 125 CO 0.00 -0.75 1.08 -0.07 0.00 0.00 0.00 175.10 175.36 3dp3 h LEU 126 N 10.76 0.73 -7.00 3.92 3.38 0.03 -3.48 115.31 123.65 3dp3 h LEU 126 Ca -0.22 -0.74 0.07 0.00 0.09 0.00 0.00 57.88 57.07 3dp3 h LEU 126 Cb 1.06 -0.23 -0.23 0.00 0.09 0.00 0.00 40.66 41.35 3dp3 h LEU 126 CO 1.08 1.57 0.50 -0.75 0.09 0.00 0.00 178.44 180.93 3dp3 s LYS 127 N -2.74 0.61 -0.11 1.13 2.20 -0.97 -5.01 119.74 114.85 3dp3 s LYS 127 Ca -0.08 0.24 -0.20 0.00 -0.36 0.00 0.00 55.97 55.58 3dp3 s LYS 127 Cb 0.05 0.29 0.05 0.00 -1.51 0.00 0.00 37.83 36.71 3dp3 s LYS 127 CO 0.92 -0.17 0.50 -3.38 -0.36 0.00 0.00 175.35 172.86 3dp3 s HIS 128 N -0.85 -0.48 -0.21 4.03 -3.43 -1.26 0.87 115.29 113.95 3dp3 s HIS 128 Ca -0.01 1.02 -0.06 0.00 -0.80 0.00 0.00 55.06 55.21 3dp3 s HIS 128 Cb -0.01 0.22 0.10 0.00 -1.43 0.00 0.00 32.58 31.46 3dp3 s HIS 128 CO 0.01 -0.38 0.41 0.21 -2.00 0.00 0.00 174.74 172.98 3dp3 s LYS 129 N -0.51 0.32 7.95 -0.38 2.20 -0.24 -5.02 119.74 124.07 3dp3 s LYS 129 Ca -0.06 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 56.46 3dp3 s LYS 129 Cb -0.03 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 3dp3 s LYS 129 CO 0.04 -0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.10 3dp3 n GLY 130 N 5.38 3.60 0.82 5.54 0.00 -1.26 -1.55 105.19 117.73 3dp3 n GLY 130 Ca -0.07 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 45.95 3dp3 n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3dp3 n MET 131 N 13.94 2.05 -3.64 1.61 2.81 -1.26 -4.82 117.12 127.82 3dp3 n MET 131 Ca 0.00 -1.61 -0.38 0.00 -1.81 0.00 0.00 57.70 53.89 3dp3 n MET 131 Cb 0.00 -1.40 -0.11 0.00 -0.71 0.00 0.00 33.22 30.99 3dp3 n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3dp3 s ILE 132 N -1.52 4.80 -0.07 2.02 1.01 -0.59 -0.74 121.20 126.10 3dp3 s ILE 132 Ca 0.33 -0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.79 3dp3 s ILE 132 Cb 0.18 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 3dp3 s ILE 132 CO 0.25 0.13 -0.24 0.26 0.00 0.00 0.00 174.94 175.34 3dp3 s TRP 133 N 1.66 2.41 -0.26 3.97 0.52 -0.26 -1.07 118.94 125.89 3dp3 s TRP 133 Ca 0.06 -0.82 -0.04 0.00 0.02 0.00 0.00 56.10 55.32 3dp3 s TRP 133 Cb -0.17 -1.59 0.02 0.00 -1.15 0.00 0.00 33.47 30.58 3dp3 s TRP 133 CO 0.07 -0.29 -0.01 -0.65 0.02 0.00 0.00 176.95 176.09 3dp3 s GLN 134 N 0.06 2.97 0.26 4.98 -0.21 0.25 -0.82 119.66 127.15 3dp3 s GLN 134 Ca -0.10 -0.91 0.10 0.00 0.02 0.00 0.00 55.36 54.48 3dp3 s GLN 134 Cb -0.15 -3.12 -0.04 0.00 1.00 0.00 0.00 33.01 30.69 3dp3 s GLN 134 CO 0.06 -0.40 -0.06 0.14 -2.12 0.00 0.00 175.29 172.90 3dp3 s VAL 135 N 1.40 3.17 0.17 1.09 -7.23 -0.08 0.77 120.40 119.68 3dp3 s VAL 135 Ca 0.01 -2.03 -0.23 0.00 -1.81 0.00 0.00 61.98 57.93 3dp3 s VAL 135 Cb -0.17 -2.68 0.06 0.00 0.56 0.00 0.00 36.38 34.16 3dp3 s VAL 135 CO -0.02 -0.36 0.67 -0.83 -0.31 0.00 0.00 175.10 174.25 3dp3 s GLY 136 N -3.56 -0.46 0.00 2.32 0.00 -0.75 -0.73 107.32 104.14 3dp3 s GLY 136 Ca 0.30 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.36 3dp3 s GLY 136 CO 0.18 0.11 0.00 0.61 0.00 0.00 0.00 173.10 174.00 3dp3 n GLY 137 N -0.39 -0.41 3.32 0.20 0.00 -0.88 -0.82 105.19 106.21 3dp3 n GLY 137 Ca -0.13 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.89 3dp3 n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dp3 s THR 138 N -4.00 0.35 -0.08 2.61 -4.23 0.49 -2.39 115.64 108.39 3dp3 s THR 138 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 3dp3 s THR 138 Cb 0.00 -2.54 -0.00 0.00 1.34 0.00 0.00 72.50 71.30 3dp3 s THR 138 CO 0.00 0.00 -0.23 0.00 -0.54 0.00 0.00 174.62 173.85 3dp3 s ALA 139 N -3.69 2.06 0.05 3.99 0.00 -0.11 -0.23 121.76 123.84 3dp3 s ALA 139 Ca 0.36 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.43 3dp3 s ALA 139 Cb 0.06 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 3dp3 s ALA 139 CO 0.16 0.32 -0.12 -0.65 0.00 0.00 0.00 175.76 175.47 3dp3 s GLN 140 N 0.19 0.74 -0.07 0.00 -0.21 0.12 -0.19 119.66 120.25 3dp3 s GLN 140 Ca -0.13 -0.84 0.01 0.00 0.02 0.00 0.00 55.36 54.42 3dp3 s GLN 140 Cb -0.16 -0.68 0.02 0.00 1.00 0.00 0.00 33.01 33.19 3dp3 s GLN 140 CO 0.07 0.15 -0.06 0.08 -2.12 0.00 0.00 175.29 173.41 3dp3 s VAL 141 N -1.19 0.76 -1.50 1.09 1.01 -0.55 -0.74 120.40 119.27 3dp3 s VAL 141 Ca -0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 3dp3 s VAL 141 Cb -0.09 -0.77 0.05 0.00 0.00 0.00 0.00 36.38 35.57 3dp3 s VAL 141 CO 0.01 0.29 0.58 0.47 0.00 0.00 0.00 175.10 176.46 3dp3 n ASP 142 N 4.37 -1.59 0.00 3.32 8.00 -1.26 -1.06 116.55 128.32 3dp3 n ASP 142 Ca -0.19 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.33 3dp3 n ASP 142 Cb 0.51 -3.05 0.00 0.00 -0.02 0.00 0.00 41.12 38.55 3dp3 n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dp3 n GLY 143 N -1.78 2.07 3.89 0.44 0.00 -1.26 -5.01 105.19 103.53 3dp3 n GLY 143 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3dp3 n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dp3 s LYS 144 N -0.04 3.60 -0.28 1.61 1.02 -0.22 -5.06 119.74 120.37 3dp3 s LYS 144 Ca 0.00 -0.08 -0.28 0.00 0.02 0.00 0.00 55.97 55.63 3dp3 s LYS 144 Cb 0.00 -3.01 0.01 0.00 -0.52 0.00 0.00 37.83 34.31 3dp3 s LYS 144 CO 0.00 0.59 1.02 0.08 -0.92 0.00 0.00 175.35 176.12 3dp3 s VAL 145 N -1.41 4.63 -0.04 3.17 1.01 -1.26 -1.48 120.40 125.02 3dp3 s VAL 145 Ca 0.32 1.79 0.20 0.00 0.00 0.00 0.00 61.98 64.29 3dp3 s VAL 145 Cb -0.13 -4.33 -0.30 0.00 0.00 0.00 0.00 36.38 31.62 3dp3 s VAL 145 CO 0.19 -0.31 0.42 1.33 0.00 0.00 0.00 175.10 176.73 3dp3 n VAL 146 N 5.58 0.07 -3.45 2.92 0.24 0.74 -4.53 118.33 119.89 3dp3 n VAL 146 Ca 0.11 -0.47 -0.11 0.00 -2.04 0.00 0.00 64.34 61.82 3dp3 n VAL 146 Cb 0.47 0.01 -0.02 0.00 -1.47 0.00 0.00 33.84 32.83 3dp3 n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dp3 s ALA 147 N -3.33 -1.68 0.02 2.33 0.00 -1.13 -0.58 121.76 117.40 3dp3 s ALA 147 Ca -0.07 0.70 -0.06 0.00 0.00 0.00 0.00 51.96 52.53 3dp3 s ALA 147 Cb 0.12 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 3dp3 s ALA 147 CO 0.82 -0.72 0.11 -1.83 0.00 0.00 0.00 175.76 174.15 3dp3 s GLU 148 N -3.38 0.54 -0.06 0.00 -1.05 -0.22 -0.94 118.70 113.60 3dp3 s GLU 148 Ca 0.01 -0.59 -0.31 0.00 -0.15 0.00 0.00 54.97 53.93 3dp3 s GLU 148 Cb -0.01 0.22 0.11 0.00 -0.44 0.00 0.00 34.13 34.01 3dp3 s GLU 148 CO -0.10 -0.13 0.99 0.00 0.95 0.00 0.00 175.26 176.97 3dp3 s ALA 149 N -2.05 -1.90 -0.01 -0.84 0.00 -1.01 -1.21 121.76 114.75 3dp3 s ALA 149 Ca -0.10 1.16 0.05 0.00 0.00 0.00 0.00 51.96 53.08 3dp3 s ALA 149 Cb -0.04 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 3dp3 s ALA 149 CO -0.02 -0.67 -0.17 -1.21 0.00 0.00 0.00 175.76 173.69 3dp3 s GLU 150 N -2.90 1.39 0.03 0.00 2.02 -0.14 -2.07 118.70 117.02 3dp3 s GLU 150 Ca 0.07 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.44 3dp3 s GLU 150 Cb -0.01 -1.34 -0.02 0.00 0.10 0.00 0.00 34.13 32.85 3dp3 s GLU 150 CO -0.07 0.37 -0.04 -0.51 0.02 0.00 0.00 175.26 175.02 3dp3 s LEU 151 N -0.42 2.27 -0.12 1.80 1.02 0.09 -0.56 118.68 122.75 3dp3 s LEU 151 Ca 0.07 -0.55 0.01 0.00 0.02 0.00 0.00 54.13 53.67 3dp3 s LEU 151 Cb -0.07 0.02 0.02 0.00 0.02 0.00 0.00 46.19 46.18 3dp3 s LEU 151 CO -0.01 -0.29 -0.14 -0.75 0.02 0.00 0.00 176.35 175.18 3dp3 s LYS 152 N -1.69 2.18 0.16 1.70 2.20 -0.72 -0.90 119.74 122.68 3dp3 s LYS 152 Ca -0.12 -0.54 0.10 0.00 -0.36 0.00 0.00 55.97 55.05 3dp3 s LYS 152 Cb -0.09 -1.92 -0.04 0.00 -1.51 0.00 0.00 37.83 34.27 3dp3 s LYS 152 CO -0.01 -0.12 -0.21 0.00 -0.36 0.00 0.00 175.35 174.64 3dp3 s ALA 153 N 1.17 2.18 -0.07 3.13 0.00 -0.00 -0.68 121.76 127.49 3dp3 s ALA 153 Ca -0.03 -1.49 0.05 0.00 0.00 0.00 0.00 51.96 50.49 3dp3 s ALA 153 Cb -0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 3dp3 s ALA 153 CO -0.04 0.35 -0.21 1.41 0.00 0.00 0.00 175.76 177.26 3dp3 s MET 154 N -2.53 2.69 -0.20 0.00 1.75 -0.43 -1.11 119.30 119.47 3dp3 s MET 154 Ca 0.16 -0.83 -0.11 0.00 -1.25 0.00 0.00 55.69 53.65 3dp3 s MET 154 Cb -0.08 -2.28 -0.05 0.00 2.84 0.00 0.00 34.83 35.27 3dp3 s MET 154 CO 0.07 0.39 0.16 0.42 -0.65 0.00 0.00 175.02 175.41 3dp3 s ILE 155 N -0.17 5.38 0.23 10.11 1.01 0.08 -2.42 121.20 135.43 3dp3 s ILE 155 Ca -0.03 0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 3dp3 s ILE 155 Cb -0.14 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3dp3 s ILE 155 CO 0.04 0.41 0.21 0.00 0.00 0.00 0.00 174.94 175.59 3dp3 s ALA 156 N 0.55 1.08 0.00 9.38 0.00 -0.36 -4.81 121.76 127.60 3dp3 s ALA 156 Ca 0.09 -1.65 -0.30 0.00 0.00 0.00 0.00 51.96 50.10 3dp3 s ALA 156 Cb -0.12 1.36 -0.05 0.00 0.00 0.00 0.00 23.12 24.31 3dp3 s ALA 156 CO 0.00 -0.64 1.29 -1.21 0.00 0.00 0.00 175.76 175.20 3dp3 s GLU 157 N -4.00 4.34 0.00 0.00 0.41 -1.26 -0.13 118.70 118.06 3dp3 s GLU 157 Ca 0.37 1.84 0.06 0.00 -0.41 0.00 0.00 54.97 56.82 3dp3 s GLU 157 Cb 0.05 -3.49 0.34 0.00 -1.78 0.00 0.00 34.13 29.25 3dp3 s GLU 157 CO 0.14 -0.45 0.81 -2.13 -0.49 0.00 0.00 175.26 173.14