#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 1.96 -0.11 -1.46 -1.52 -1.26 -3.62 119.66 113.66 3dp3 s GLN 11 Ca 0.00 -2.52 -0.05 0.00 -1.95 0.00 0.00 55.36 50.84 3dp3 s GLN 11 Cb 0.00 -3.34 -0.04 0.00 -0.22 0.00 0.00 33.01 29.41 3dp3 s GLN 11 CO 0.00 -1.09 0.08 -0.06 -0.25 0.00 0.00 175.29 173.96 3dp3 s PHE 12 N -0.12 3.39 0.49 0.91 0.40 -0.97 -5.00 117.98 117.10 3dp3 s PHE 12 Ca 0.16 0.36 0.07 0.00 -0.60 0.00 0.00 56.93 56.92 3dp3 s PHE 12 Cb -0.25 -1.88 0.02 0.00 0.51 0.00 0.00 43.02 41.42 3dp3 s PHE 12 CO -0.01 0.60 0.42 -0.06 0.70 0.00 0.00 175.22 176.86 3dp3 s PHE 13 N -0.91 2.04 0.30 0.36 0.40 -1.26 -1.50 117.98 117.41 3dp3 s PHE 13 Ca 0.14 -0.69 0.05 0.00 -0.60 0.00 0.00 56.93 55.83 3dp3 s PHE 13 Cb -0.12 -2.04 0.79 0.00 0.51 0.00 0.00 43.02 42.16 3dp3 s PHE 13 CO 0.03 -0.38 1.69 0.97 0.70 0.00 0.00 175.22 178.23 3dp3 h ILE 14 N 0.83 0.43 0.00 0.64 6.09 -1.90 0.23 117.51 123.82 3dp3 h ILE 14 Ca -0.38 -0.13 -0.05 0.00 -1.37 0.00 0.00 64.86 62.94 3dp3 h ILE 14 Cb 1.29 0.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.59 3dp3 h ILE 14 CO 0.56 0.07 -0.22 1.05 -3.07 0.00 0.00 178.15 176.54 3dp3 h GLU 15 N 0.37 0.00 0.06 2.19 9.09 -1.95 0.12 114.58 124.46 3dp3 h GLU 15 Ca 0.59 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.79 3dp3 h GLU 15 Cb 1.17 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.29 3dp3 h GLU 15 CO -0.56 0.22 -0.86 0.45 0.05 0.00 0.00 179.01 178.31 3dp3 h HIS 16 N 0.00 0.75 -0.80 2.06 3.86 -1.01 -3.05 115.15 116.97 3dp3 h HIS 16 Ca -0.00 -0.45 0.02 0.00 -1.16 0.00 0.00 60.37 58.77 3dp3 h HIS 16 Cb 0.49 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.85 3dp3 h HIS 16 CO 0.00 1.30 0.52 0.82 0.86 0.00 0.00 177.93 181.43 3dp3 h ILE 17 N -0.01 1.18 -0.50 2.45 2.04 -0.65 -2.07 117.51 119.94 3dp3 h ILE 17 Ca -0.13 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.42 3dp3 h ILE 17 Cb 1.58 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 3dp3 h ILE 17 CO 0.17 0.19 0.34 -0.07 0.00 0.00 0.00 178.15 178.77 3dp3 h LEU 18 N 1.05 0.44 -0.10 1.44 4.07 -0.79 -0.90 115.31 120.52 3dp3 h LEU 18 Ca 0.30 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.26 3dp3 h LEU 18 Cb -0.08 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.56 3dp3 h LEU 18 CO -0.08 0.30 0.00 0.00 -1.08 0.00 0.00 178.44 177.58 3dp3 n GLN 19 N -4.47 0.17 -0.07 1.13 6.02 -0.79 -4.29 117.38 115.08 3dp3 n GLN 19 Ca 0.06 0.19 -0.13 0.00 -0.01 0.00 0.00 57.00 57.12 3dp3 n GLN 19 Cb 0.19 -1.72 -0.04 0.00 1.02 0.00 0.00 30.24 29.69 3dp3 n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3dp3 n ILE 20 N -2.02 1.19 -2.68 5.09 2.08 -0.62 -4.44 119.36 117.96 3dp3 n ILE 20 Ca 0.05 -0.01 -0.38 0.00 0.56 0.00 0.00 62.75 62.97 3dp3 n ILE 20 Cb 0.36 -1.91 -0.06 0.00 -0.75 0.00 0.00 39.64 37.29 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 -7.27 4.44 0.32 1.39 1.43 -0.44 -4.76 118.68 113.79 3dp3 s LEU 21 Ca -0.22 1.98 0.24 0.00 -1.03 0.00 0.00 54.13 55.10 3dp3 s LEU 21 Cb 0.06 -3.86 0.46 0.00 0.03 0.00 0.00 46.19 42.89 3dp3 s LEU 21 CO 0.30 -0.08 1.60 1.55 0.23 0.00 0.00 176.35 179.94 3dp3 h PRO 22 N 3.46 0.00 -7.00 1.29 0.13 -1.86 -3.44 132.00 124.59 3dp3 h PRO 22 Ca -0.46 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.12 3dp3 h PRO 22 Cb 1.20 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.45 3dp3 h PRO 22 CO 0.66 0.00 0.69 -1.01 -0.23 0.00 0.00 178.00 178.11 3dp3 s HIS 23 N -3.19 2.44 0.35 1.56 3.76 -1.26 -5.03 115.29 113.92 3dp3 s HIS 23 Ca 0.07 1.28 0.06 0.00 -0.15 0.00 0.00 55.06 56.33 3dp3 s HIS 23 Cb 0.08 -3.90 -0.03 0.00 1.11 0.00 0.00 32.58 29.84 3dp3 s HIS 23 CO 0.66 -2.92 0.24 1.03 -0.85 0.00 0.00 174.74 172.90 3dp3 s ARG 24 N -2.50 1.79 0.31 1.40 1.81 -1.26 -4.70 118.95 115.80 3dp3 s ARG 24 Ca 0.62 -2.05 -0.30 0.00 -1.72 0.00 0.00 55.73 52.28 3dp3 s ARG 24 Cb -0.43 0.10 -0.12 0.00 -0.45 0.00 0.00 34.95 34.05 3dp3 s ARG 24 CO 0.55 -0.61 1.52 0.98 -0.68 0.00 0.00 175.30 177.07 3dp3 n TYR 25 N -0.69 2.75 -1.47 -0.53 9.36 -1.26 0.72 117.16 126.04 3dp3 n TYR 25 Ca 0.04 0.34 -0.35 0.00 3.32 0.00 0.00 57.90 61.26 3dp3 n TYR 25 Cb 0.63 -2.55 0.07 0.00 -0.63 0.00 0.00 39.34 36.86 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 1.63 2.78 -0.10 2.98 -0.04 -1.26 -4.92 135.00 136.07 3dp3 n PRO 26 Ca 0.07 -3.40 0.08 0.00 -0.04 0.00 0.00 63.50 60.21 3dp3 n PRO 26 Cb 0.36 -2.29 0.11 0.00 -0.04 0.00 0.00 33.50 31.65 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 -0.85 1.34 -3.49 0.54 2.81 0.22 -4.92 117.12 112.77 3dp3 n MET 27 Ca 0.60 -2.27 -0.43 0.00 -1.81 0.00 0.00 57.70 53.79 3dp3 n MET 27 Cb 0.63 -1.33 -0.09 0.00 -0.71 0.00 0.00 33.22 31.72 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 -2.34 5.42 -0.37 4.03 2.96 -0.98 -4.56 118.68 122.84 3dp3 s LEU 28 Ca 0.25 -1.42 0.06 0.00 -0.22 0.00 0.00 54.13 52.80 3dp3 s LEU 28 Cb 0.22 -2.09 0.55 0.00 0.50 0.00 0.00 46.19 45.37 3dp3 s LEU 28 CO 0.02 -0.60 1.63 0.18 -1.32 0.00 0.00 176.35 176.26 3dp3 n LEU 29 N 5.07 5.21 -3.82 -0.68 4.77 -1.26 -4.90 117.00 121.39 3dp3 n LEU 29 Ca -0.11 -3.82 -0.24 0.00 -0.03 0.00 0.00 56.01 51.81 3dp3 n LEU 29 Cb 0.43 -0.71 -0.17 0.00 -2.33 0.00 0.00 43.42 40.64 3dp3 n LEU 29 CO 0.44 1.26 -0.40 -0.69 -1.33 0.00 0.00 177.39 176.66 3dp3 s VAL 30 N -3.43 0.58 -0.11 4.08 1.01 -1.26 -4.62 120.40 116.65 3dp3 s VAL 30 Ca 0.50 -0.02 0.15 0.00 0.00 0.00 0.00 61.98 62.62 3dp3 s VAL 30 Cb 0.44 -0.69 -0.23 0.00 0.00 0.00 0.00 36.38 35.90 3dp3 s VAL 30 CO 0.03 0.29 0.47 0.47 0.00 0.00 0.00 175.10 176.36 3dp3 n ASP 31 N 5.00 0.54 -3.60 3.32 8.00 -0.45 -4.94 116.55 124.42 3dp3 n ASP 31 Ca -0.10 0.26 -0.16 0.00 0.71 0.00 0.00 54.79 55.50 3dp3 n ASP 31 Cb 0.50 0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 41.92 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 -2.62 0.90 -0.22 -1.24 3.52 -1.00 -3.08 118.95 115.21 3dp3 s ARG 32 Ca -0.06 0.41 -0.06 0.00 -0.13 0.00 0.00 55.73 55.89 3dp3 s ARG 32 Cb 0.07 0.42 -0.03 0.00 -1.56 0.00 0.00 34.95 33.86 3dp3 s ARG 32 CO 0.83 -0.23 0.04 0.42 -0.81 0.00 0.00 175.30 175.55 3dp3 s ILE 33 N -0.68 4.27 -0.22 4.11 -1.09 -0.56 -1.51 121.20 125.52 3dp3 s ILE 33 Ca -0.08 -0.20 0.11 0.00 -2.23 0.00 0.00 60.65 58.26 3dp3 s ILE 33 Cb -0.02 -2.96 -0.22 0.00 -1.58 0.00 0.00 42.46 37.68 3dp3 s ILE 33 CO 0.06 0.40 -0.02 0.35 -1.23 0.00 0.00 174.94 174.50 3dp3 n THR 34 N 4.37 1.44 -4.03 2.92 -2.24 -0.12 -2.29 114.28 114.33 3dp3 n THR 34 Ca -0.17 -0.74 -0.14 0.00 -2.27 0.00 0.00 64.05 60.73 3dp3 n THR 34 Cb 0.52 -0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 67.75 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 -2.51 0.26 -0.12 -0.78 2.02 -0.86 -4.58 118.70 112.14 3dp3 s GLU 35 Ca -0.20 -0.19 -0.05 0.00 0.02 0.00 0.00 54.97 54.55 3dp3 s GLU 35 Cb 0.07 -0.21 0.05 0.00 0.10 0.00 0.00 34.13 34.14 3dp3 s GLU 35 CO 0.74 0.05 0.26 -1.17 0.02 0.00 0.00 175.26 175.17 3dp3 s LEU 36 N -0.27 0.23 -0.24 1.80 2.96 -1.26 -1.80 118.68 120.10 3dp3 s LEU 36 Ca -0.01 0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 54.43 3dp3 s LEU 36 Cb -0.02 0.78 0.08 0.00 0.50 0.00 0.00 46.19 47.53 3dp3 s LEU 36 CO -0.00 -0.18 0.11 -1.10 -1.32 0.00 0.00 176.35 173.86 3dp3 s GLN 37 N 1.50 0.15 0.07 1.98 -0.21 -0.79 -4.88 119.66 117.48 3dp3 s GLN 37 Ca -0.07 -0.34 -0.36 0.00 0.02 0.00 0.00 55.36 54.60 3dp3 s GLN 37 Cb -0.11 -1.48 -0.18 0.00 1.00 0.00 0.00 33.01 32.24 3dp3 s GLN 37 CO -0.09 -0.86 1.02 0.00 -2.12 0.00 0.00 175.29 173.24 3dp3 n ALA 38 N 5.25 -2.78 -1.21 6.09 0.00 -1.26 -0.82 120.51 125.78 3dp3 n ALA 38 Ca -0.06 0.54 -0.09 0.00 0.00 0.00 0.00 53.44 53.82 3dp3 n ALA 38 Cb 0.45 -1.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.05 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 1.79 -4.97 0.00 0.00 5.03 -1.26 -4.74 115.26 111.11 3dp3 n ASN 39 Ca 0.19 0.23 0.00 0.00 0.87 0.00 0.00 54.58 55.87 3dp3 n ASN 39 Cb 0.15 -3.70 0.00 0.00 -1.02 0.00 0.00 39.78 35.20 3dp3 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3dp3 n GLN 40 N -0.72 0.00 -3.93 3.52 6.02 -0.00 -4.73 117.38 117.54 3dp3 n GLN 40 Ca -0.09 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.81 3dp3 n GLN 40 Cb 0.52 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.75 3dp3 n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3dp3 s LYS 41 N -0.60 1.80 -0.17 -1.09 -2.85 -0.91 -0.67 119.74 115.24 3dp3 s LYS 41 Ca 0.00 -1.26 -0.16 0.00 -1.00 0.00 0.00 55.97 53.55 3dp3 s LYS 41 Cb 0.00 0.54 0.05 0.00 -2.06 0.00 0.00 37.83 36.36 3dp3 s LYS 41 CO 0.00 -0.79 0.46 -1.50 0.10 0.00 0.00 175.35 173.62 3dp3 s ILE 42 N -3.56 -0.00 -0.11 3.79 2.07 0.37 -1.88 121.20 121.89 3dp3 s ILE 42 Ca 0.18 0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.45 3dp3 s ILE 42 Cb -0.03 -0.65 0.01 0.00 0.13 0.00 0.00 42.46 41.92 3dp3 s ILE 42 CO 0.10 0.00 -0.17 -0.69 -1.91 0.00 0.00 174.94 172.27 3dp3 s VAL 43 N 0.34 1.64 0.35 4.00 1.01 -0.75 -1.52 120.40 125.48 3dp3 s VAL 43 Ca -0.01 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 3dp3 s VAL 43 Cb -0.04 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.86 3dp3 s VAL 43 CO -0.01 0.47 0.46 0.00 0.00 0.00 0.00 175.10 176.03 3dp3 s ALA 44 N 0.89 0.95 0.19 5.51 0.00 -0.23 -0.94 121.76 128.12 3dp3 s ALA 44 Ca -0.08 -1.62 -0.19 0.00 0.00 0.00 0.00 51.96 50.08 3dp3 s ALA 44 Cb -0.15 1.19 0.04 0.00 0.00 0.00 0.00 23.12 24.20 3dp3 s ALA 44 CO -0.01 -0.78 0.54 1.52 0.00 0.00 0.00 175.76 177.03 3dp3 s TYR 45 N -3.00 -0.21 -0.04 0.00 1.13 -0.57 0.21 117.35 114.86 3dp3 s TYR 45 Ca 0.32 -0.11 0.01 0.00 -1.41 0.00 0.00 57.07 55.88 3dp3 s TYR 45 Cb -0.00 0.43 0.02 0.00 -1.10 0.00 0.00 41.96 41.31 3dp3 s TYR 45 CO 0.22 -0.90 -0.04 0.21 -2.51 0.00 0.00 175.55 172.54 3dp3 s LYS 46 N -3.84 0.71 0.34 -3.49 2.20 0.29 -1.34 119.74 114.61 3dp3 s LYS 46 Ca 0.07 -0.07 -0.26 0.00 -0.36 0.00 0.00 55.97 55.35 3dp3 s LYS 46 Cb -0.01 -0.75 -0.09 0.00 -1.51 0.00 0.00 37.83 35.47 3dp3 s LYS 46 CO -0.05 -0.08 1.03 -0.80 -0.36 0.00 0.00 175.35 175.08 3dp3 s ASN 47 N 0.90 7.08 -0.22 1.43 0.01 -1.26 -1.24 114.94 121.64 3dp3 s ASN 47 Ca -0.11 2.04 -0.03 0.00 -0.71 0.00 0.00 52.86 54.05 3dp3 s ASN 47 Cb -0.14 -2.60 -0.00 0.00 0.41 0.00 0.00 41.25 38.92 3dp3 s ASN 47 CO -0.00 -0.26 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.63 3dp3 s ILE 48 N -1.50 3.11 0.14 0.60 -1.09 -0.20 -4.92 121.20 117.35 3dp3 s ILE 48 Ca 0.52 -0.61 0.06 0.00 -2.23 0.00 0.00 60.65 58.39 3dp3 s ILE 48 Cb -0.24 -2.42 -0.04 0.00 -1.58 0.00 0.00 42.46 38.19 3dp3 s ILE 48 CO 0.30 0.42 -0.15 0.28 -1.23 0.00 0.00 174.94 174.57 3dp3 s THR 49 N 1.44 1.46 0.38 2.92 -1.32 -1.26 0.51 115.64 119.77 3dp3 s THR 49 Ca 0.05 -1.84 0.22 0.00 -1.21 0.00 0.00 61.69 58.91 3dp3 s THR 49 Cb -0.14 -1.68 0.23 0.00 -1.51 0.00 0.00 72.50 69.40 3dp3 s THR 49 CO -0.05 -0.44 1.99 0.15 -2.21 0.00 0.00 174.62 174.05 3dp3 h PHE 50 N 3.30 0.00 0.00 9.09 3.57 -1.95 -3.26 116.94 127.68 3dp3 h PHE 50 Ca -0.40 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 3dp3 h PHE 50 Cb 1.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 3dp3 h PHE 50 CO 0.66 0.19 -0.01 -1.71 -2.23 0.00 0.00 178.31 175.22 3dp3 n ASN 51 N -3.81 3.69 -4.13 0.41 5.15 -1.26 -4.75 115.26 110.57 3dp3 n ASN 51 Ca -0.02 -1.99 -0.30 0.00 -0.60 0.00 0.00 54.58 51.68 3dp3 n ASN 51 Cb 0.29 -0.79 -0.17 0.00 -0.53 0.00 0.00 39.78 38.58 3dp3 n ASN 51 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3dp3 s GLU 52 N 0.69 2.57 0.37 1.20 2.02 -1.23 -5.03 118.70 119.28 3dp3 s GLU 52 Ca 0.03 -0.70 0.16 0.00 0.02 0.00 0.00 54.97 54.48 3dp3 s GLU 52 Cb 0.02 -2.06 1.04 0.00 0.10 0.00 0.00 34.13 33.23 3dp3 s GLU 52 CO 0.00 0.04 1.74 0.22 0.02 0.00 0.00 175.26 177.28 3dp3 h ASP 53 N 7.10 0.52 -0.96 -0.19 3.58 -1.94 -1.62 116.42 122.91 3dp3 h ASP 53 Ca -0.27 0.11 0.21 0.00 0.42 0.00 0.00 57.03 57.50 3dp3 h ASP 53 Cb 1.20 0.04 -0.08 0.00 1.72 0.00 0.00 39.33 42.20 3dp3 h ASP 53 CO 0.49 0.06 0.62 1.62 -2.88 0.00 0.00 179.24 179.15 3dp3 h VAL 54 N 0.44 0.66 0.00 2.25 3.04 -1.96 -0.98 116.25 119.70 3dp3 h VAL 54 Ca 0.64 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 66.15 3dp3 h VAL 54 Cb 1.48 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 3dp3 h VAL 54 CO -0.39 0.09 0.00 -0.26 -1.01 0.00 0.00 177.57 176.00 3dp3 h PHE 55 N 0.52 0.00 -0.20 3.17 -1.00 -1.58 -2.08 116.94 115.77 3dp3 h PHE 55 Ca 0.52 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.28 3dp3 h PHE 55 Cb 1.14 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.69 3dp3 h PHE 55 CO -0.00 0.00 0.00 -0.91 -1.61 0.00 0.00 178.31 175.79 3dp3 h ASN 56 N 0.00 0.26 -0.09 2.17 2.35 -1.35 -3.18 115.58 115.74 3dp3 h ASN 56 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3dp3 h ASN 56 Cb 0.24 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3dp3 h ASN 56 CO 0.00 0.31 0.00 0.61 -1.65 0.00 0.00 177.43 176.70 3dp3 n GLY 57 N -1.15 0.90 2.37 2.83 0.00 -0.82 -4.17 105.19 105.16 3dp3 n GLY 57 Ca -0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 0.18 -1.19 -4.44 1.61 -0.00 -1.01 -4.53 115.22 105.84 3dp3 n HIS 58 Ca 0.05 -3.09 -0.22 0.00 -0.00 0.00 0.00 57.72 54.46 3dp3 n HIS 58 Cb 0.24 0.23 -0.10 0.00 -0.00 0.00 0.00 29.99 30.36 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 -0.35 1.98 0.23 1.57 0.40 0.14 -1.14 117.98 120.81 3dp3 s PHE 59 Ca 0.34 -0.71 -0.32 0.00 -0.60 0.00 0.00 56.93 55.63 3dp3 s PHE 59 Cb 0.11 -1.16 -0.13 0.00 0.51 0.00 0.00 43.02 42.36 3dp3 s PHE 59 CO -0.15 0.27 1.58 -2.30 0.70 0.00 0.00 175.22 175.32 3dp3 n PRO 60 N -0.61 2.42 -0.86 0.24 -0.02 -1.26 -0.98 135.00 133.94 3dp3 n PRO 60 Ca -0.05 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3dp3 n PRO 60 Cb 0.64 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 2.91 -3.04 -2.95 2.55 4.13 -1.26 -4.85 115.26 112.75 3dp3 n ASN 61 Ca 0.13 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.33 3dp3 n ASN 61 Cb 0.33 -2.25 -0.01 0.00 -1.54 0.00 0.00 39.78 36.31 3dp3 n ASN 61 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3dp3 s LYS 62 N -1.12 0.98 -0.23 3.52 2.47 -0.15 -5.13 119.74 120.09 3dp3 s LYS 62 Ca 0.00 -0.99 -0.29 0.00 -1.56 0.00 0.00 55.97 53.13 3dp3 s LYS 62 Cb 0.00 -0.19 -0.02 0.00 -1.46 0.00 0.00 37.83 36.16 3dp3 s LYS 62 CO 0.00 -1.30 1.50 -1.25 0.16 0.00 0.00 175.35 174.46 3dp3 s PRO 63 N 1.03 3.89 -0.11 4.03 0.04 -1.22 0.28 135.00 142.93 3dp3 s PRO 63 Ca 0.27 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 3dp3 s PRO 63 Cb -0.01 -3.97 0.03 0.00 0.04 0.00 0.00 34.50 30.59 3dp3 s PRO 63 CO -0.07 -1.17 -0.04 0.42 0.04 0.00 0.00 177.00 176.18 3dp3 s ILE 64 N 4.76 0.76 -0.00 0.56 -1.09 -0.29 -4.53 121.20 121.37 3dp3 s ILE 64 Ca 0.66 -0.17 -0.30 0.00 -2.23 0.00 0.00 60.65 58.61 3dp3 s ILE 64 Cb -0.23 -0.87 -0.07 0.00 -1.58 0.00 0.00 42.46 39.71 3dp3 s ILE 64 CO 0.26 0.28 1.77 0.12 -1.23 0.00 0.00 174.94 176.14 3dp3 s PHE 65 N 1.81 1.78 0.07 3.97 5.36 -0.05 -4.57 117.98 126.34 3dp3 s PHE 65 Ca 0.04 -0.04 -0.37 0.00 -0.96 0.00 0.00 56.93 55.61 3dp3 s PHE 65 Cb -0.13 -4.05 -0.17 0.00 -0.34 0.00 0.00 43.02 38.33 3dp3 s PHE 65 CO -0.07 -4.52 1.37 -2.30 -1.46 0.00 0.00 175.22 168.24 3dp3 n PRO 66 N 7.05 1.16 -0.17 10.12 -0.02 -1.26 -4.61 135.00 147.26 3dp3 n PRO 66 Ca 0.18 0.42 0.08 0.00 -2.02 0.00 0.00 63.50 62.16 3dp3 n PRO 66 Cb 0.42 -2.07 0.38 0.00 -0.02 0.00 0.00 33.50 32.21 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 4.72 0.90 2.00 -1.23 0.00 -1.98 -0.95 103.07 106.53 3dp3 h GLY 67 Ca -0.48 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 46.52 3dp3 h GLY 67 CO 0.79 0.19 -0.28 -0.39 0.00 0.00 0.00 176.54 176.85 3dp3 h VAL 68 N 0.69 1.07 0.00 4.60 -1.51 -2.00 -1.87 116.25 117.22 3dp3 h VAL 68 Ca 0.31 -0.99 -0.04 0.00 -1.23 0.00 0.00 66.70 64.75 3dp3 h VAL 68 Cb 0.33 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 3dp3 h VAL 68 CO -0.10 0.27 -0.21 -0.07 -1.23 0.00 0.00 177.57 176.22 3dp3 h LEU 69 N 0.00 0.00 -0.23 4.19 3.38 -1.55 -0.55 115.31 120.55 3dp3 h LEU 69 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3dp3 h LEU 69 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3dp3 h LEU 69 CO 0.04 0.21 -0.13 0.40 0.09 0.00 0.00 178.44 179.05 3dp3 h ILE 70 N 0.00 1.30 -0.69 1.22 2.04 -0.90 0.21 117.51 120.70 3dp3 h ILE 70 Ca -0.00 -1.21 -0.07 0.00 1.00 0.00 0.00 64.86 64.58 3dp3 h ILE 70 Cb 1.10 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 3dp3 h ILE 70 CO 0.03 0.38 0.16 0.58 0.00 0.00 0.00 178.15 179.29 3dp3 h VAL 71 N 0.21 1.26 -0.71 1.67 2.07 -1.20 -1.52 116.25 118.04 3dp3 h VAL 71 Ca 0.05 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3dp3 h VAL 71 Cb 0.63 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3dp3 h VAL 71 CO 0.04 0.37 0.39 -0.08 0.02 0.00 0.00 177.57 178.30 3dp3 h GLU 72 N 1.03 0.98 -0.31 1.57 4.57 -0.94 0.54 114.58 122.03 3dp3 h GLU 72 Ca 0.21 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 3dp3 h GLU 72 Cb 0.38 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 3dp3 h GLU 72 CO 0.00 0.74 0.01 0.78 -1.18 0.00 0.00 179.01 179.36 3dp3 h GLY 73 N 0.97 0.50 1.46 1.92 0.00 -0.54 0.74 103.07 108.12 3dp3 h GLY 73 Ca 0.25 -0.28 -0.17 0.00 0.00 0.00 0.00 47.33 47.13 3dp3 h GLY 73 CO -0.04 0.26 -0.62 -0.33 0.00 0.00 0.00 176.54 175.81 3dp3 h MET 74 N 0.45 0.55 -0.26 4.80 2.86 -0.42 -2.07 114.93 120.84 3dp3 h MET 74 Ca 0.10 -0.38 -0.03 0.00 -2.06 0.00 0.00 59.70 57.32 3dp3 h MET 74 Cb 0.28 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3dp3 h MET 74 CO 0.01 1.00 0.02 0.00 1.06 0.00 0.00 176.91 179.00 3dp3 h ALA 75 N 0.91 0.34 -0.92 6.32 0.00 -0.13 -0.64 119.26 125.15 3dp3 h ALA 75 Ca -0.01 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3dp3 h ALA 75 Cb 1.18 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3dp3 h ALA 75 CO 0.12 0.05 0.60 1.96 0.00 0.00 0.00 179.25 181.97 3dp3 h GLN 76 N 0.24 1.22 -0.43 0.00 4.20 -0.84 0.45 115.11 119.94 3dp3 h GLN 76 Ca 0.08 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.72 3dp3 h GLN 76 Cb 0.37 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 3dp3 h GLN 76 CO 0.01 0.81 0.26 0.77 -0.67 0.00 0.00 178.83 180.02 3dp3 h SER 77 N 1.25 0.43 -0.84 1.46 0.02 -1.09 -0.23 113.55 114.54 3dp3 h SER 77 Ca 0.33 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 3dp3 h SER 77 Cb -0.13 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 3dp3 h SER 77 CO -0.07 0.31 0.49 1.23 -1.14 0.00 0.00 176.83 177.65 3dp3 h GLY 78 N 0.53 1.23 0.74 -3.77 0.00 0.01 -2.22 103.07 99.59 3dp3 h GLY 78 Ca 0.17 -0.53 0.03 0.00 0.00 0.00 0.00 47.33 47.00 3dp3 h GLY 78 CO -0.07 0.51 0.10 -1.33 0.00 0.00 0.00 176.54 175.76 3dp3 h GLY 79 N 1.16 0.38 0.88 4.60 0.00 0.97 0.98 103.07 112.05 3dp3 h GLY 79 Ca 0.30 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.60 3dp3 h GLY 79 CO -0.05 0.03 0.52 -2.75 0.00 0.00 0.00 176.54 174.29 3dp3 h PHE 80 N 0.24 0.98 -0.77 5.60 3.57 -0.76 0.22 116.94 126.02 3dp3 h PHE 80 Ca 0.14 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3dp3 h PHE 80 Cb 0.11 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.49 3dp3 h PHE 80 CO -0.14 0.57 0.38 1.25 -2.23 0.00 0.00 178.31 178.14 3dp3 h LEU 81 N 1.02 1.00 0.08 0.59 5.85 -0.80 -1.75 115.31 121.31 3dp3 h LEU 81 Ca 0.32 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3dp3 h LEU 81 Cb 0.00 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.77 3dp3 h LEU 81 CO -0.11 0.85 -0.04 0.00 -0.34 0.00 0.00 178.44 178.80 3dp3 h ALA 82 N 1.20 -0.11 -0.17 1.25 0.00 0.55 -0.31 119.26 121.67 3dp3 h ALA 82 Ca 0.27 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3dp3 h ALA 82 Cb 0.10 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3dp3 h ALA 82 CO -0.04 -0.43 -0.12 0.74 0.00 0.00 0.00 179.25 179.41 3dp3 h PHE 83 N -0.37 -0.28 -0.50 0.00 -1.00 -0.47 -1.34 116.94 112.98 3dp3 h PHE 83 Ca -0.01 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.67 3dp3 h PHE 83 Cb 0.31 0.15 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 3dp3 h PHE 83 CO 0.01 -0.18 -0.16 1.79 -1.61 0.00 0.00 178.31 178.17 3dp3 h THR 84 N -0.12 1.27 -0.28 -1.55 1.35 -1.34 -0.16 112.91 112.08 3dp3 h THR 84 Ca 0.10 -1.31 -0.02 0.00 -0.55 0.00 0.00 66.41 64.63 3dp3 h THR 84 Cb 0.27 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 3dp3 h THR 84 CO -0.24 0.45 0.07 0.28 -0.25 0.00 0.00 175.52 175.84 3dp3 h SER 85 N 0.85 0.36 0.00 5.36 0.02 -0.77 0.63 113.55 119.99 3dp3 h SER 85 Ca 0.12 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3dp3 h SER 85 Cb 0.71 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 3dp3 h SER 85 CO 0.05 0.36 -0.06 -0.07 -1.14 0.00 0.00 176.83 175.98 3dp3 h LEU 86 N 0.40 0.00 -2.43 5.07 4.07 -0.93 -3.42 115.31 118.07 3dp3 h LEU 86 Ca 0.10 -0.96 0.00 0.00 0.08 0.00 0.00 57.88 57.09 3dp3 h LEU 86 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 3dp3 h LEU 86 CO -0.00 1.02 0.00 0.79 -1.08 0.00 0.00 178.44 179.16 3dp3 n TRP 87 N -4.60 0.00 -4.50 1.13 8.01 -0.10 -5.11 117.44 112.27 3dp3 n TRP 87 Ca -0.11 -0.36 0.00 0.00 -1.31 0.00 0.00 57.50 55.72 3dp3 n TRP 87 Cb 0.48 -0.04 0.00 0.00 -2.01 0.00 0.00 31.31 29.75 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 -0.36 -1.44 3.55 6.99 0.00 0.22 -4.21 105.19 109.94 3dp3 n GLY 88 Ca 0.00 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 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 2.59 -0.46 1.61 5.36 -1.26 -4.23 117.98 121.59 3dp3 s PHE 89 Ca 0.00 -0.89 0.03 0.00 -0.96 0.00 0.00 56.93 55.11 3dp3 s PHE 89 Cb 0.00 -4.65 0.13 0.00 -0.34 0.00 0.00 43.02 38.16 3dp3 s PHE 89 CO 0.00 -1.89 0.24 0.34 -1.46 0.00 0.00 175.22 172.45 3dp3 s ASP 90 N 4.80 3.83 0.48 6.13 -1.08 -1.26 -4.98 116.67 124.58 3dp3 s ASP 90 Ca 0.44 -2.70 0.17 0.00 -0.52 0.00 0.00 52.55 49.94 3dp3 s ASP 90 Cb -0.01 -1.19 1.18 0.00 -1.46 0.00 0.00 42.92 41.44 3dp3 s ASP 90 CO -0.09 -0.26 2.02 -0.65 0.52 0.00 0.00 175.17 176.70 3dp3 h PRO 91 N 6.70 0.21 -0.19 4.34 0.11 -1.90 -2.26 132.00 139.01 3dp3 h PRO 91 Ca -0.03 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 3dp3 h PRO 91 Cb 0.92 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 3dp3 h PRO 91 CO 0.53 0.14 0.01 1.49 -0.21 0.00 0.00 178.00 179.97 3dp3 h GLU 92 N 0.22 0.32 -0.16 1.05 4.81 -1.94 -1.88 114.58 116.99 3dp3 h GLU 92 Ca 0.21 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3dp3 h GLU 92 Cb 0.56 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3dp3 h GLU 92 CO -0.04 0.50 -0.04 0.82 -0.73 0.00 0.00 179.01 179.53 3dp3 h ILE 93 N 0.09 1.29 -0.62 2.32 2.04 -1.91 -3.22 117.51 117.50 3dp3 h ILE 93 Ca 0.05 -1.00 0.12 0.00 1.00 0.00 0.00 64.86 65.03 3dp3 h ILE 93 Cb 0.35 1.62 -0.12 0.00 -0.74 0.00 0.00 36.82 37.93 3dp3 h ILE 93 CO 0.01 0.30 -0.23 0.00 0.00 0.00 0.00 178.15 178.22 3dp3 h ALA 94 N 0.72 0.23 0.00 1.87 0.00 -1.36 -1.58 119.26 119.14 3dp3 h ALA 94 Ca 0.04 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3dp3 h ALA 94 Cb 0.48 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3dp3 h ALA 94 CO 0.02 -0.53 0.32 1.57 0.00 0.00 0.00 179.25 180.63 3dp3 h LYS 95 N -0.08 0.00 0.00 0.00 2.10 -1.35 0.17 116.57 117.42 3dp3 h LYS 95 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 3dp3 h LYS 95 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 3dp3 h LYS 95 CO -0.67 0.00 -1.06 0.25 -2.00 0.00 0.00 179.45 175.97 3dp3 n THR 96 N -2.12 0.46 -2.78 0.07 -2.24 -0.59 -4.96 114.28 102.12 3dp3 n THR 96 Ca -0.01 -0.47 -0.20 0.00 -2.27 0.00 0.00 64.05 61.11 3dp3 n THR 96 Cb 0.35 -0.20 0.03 0.00 -2.10 0.00 0.00 70.33 68.40 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 -3.33 2.62 0.23 -0.78 3.01 0.60 0.15 119.74 122.24 3dp3 s LYS 97 Ca 0.00 -0.98 -0.05 0.00 -1.01 0.00 0.00 55.97 53.94 3dp3 s LYS 97 Cb 0.11 -2.59 -0.02 0.00 -1.01 0.00 0.00 37.83 34.32 3dp3 s LYS 97 CO 0.80 -0.58 0.28 0.96 0.51 0.00 0.00 175.35 177.32 3dp3 s ILE 98 N -2.62 0.00 -0.03 2.17 -4.36 -0.34 -4.67 121.20 111.34 3dp3 s ILE 98 Ca 0.57 -1.76 0.05 0.00 -0.26 0.00 0.00 60.65 59.24 3dp3 s ILE 98 Cb -0.10 -2.40 -0.01 0.00 1.25 0.00 0.00 42.46 41.20 3dp3 s ILE 98 CO 0.37 0.00 -0.17 -0.69 0.24 0.00 0.00 174.94 174.68 3dp3 s VAL 99 N -4.00 1.43 -0.05 8.37 1.01 -1.26 -1.63 120.40 124.26 3dp3 s VAL 99 Ca 0.33 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3dp3 s VAL 99 Cb 0.04 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 3dp3 s VAL 99 CO 0.12 0.41 -0.20 -0.31 0.00 0.00 0.00 175.10 175.13 3dp3 s TYR 100 N -0.09 2.56 0.13 5.22 1.51 0.99 -4.97 117.35 122.69 3dp3 s TYR 100 Ca -0.01 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.35 3dp3 s TYR 100 Cb -0.10 -1.61 -0.06 0.00 -0.11 0.00 0.00 41.96 40.08 3dp3 s TYR 100 CO 0.01 0.00 1.03 -0.06 -1.11 0.00 0.00 175.55 175.43 3dp3 s PHE 101 N -0.47 3.69 -0.15 2.71 0.08 -1.26 -0.05 117.98 122.54 3dp3 s PHE 101 Ca 0.06 1.68 -0.10 0.00 0.12 0.00 0.00 56.93 58.68 3dp3 s PHE 101 Cb -0.12 -3.17 -0.06 0.00 -0.57 0.00 0.00 43.02 39.10 3dp3 s PHE 101 CO 0.01 -0.24 -0.24 -1.33 -0.10 0.00 0.00 175.22 173.33 3dp3 n MET 102 N 2.77 0.38 -3.98 0.44 2.81 0.82 -4.87 117.12 115.48 3dp3 n MET 102 Ca 0.03 0.16 -0.09 0.00 -1.81 0.00 0.00 57.70 56.00 3dp3 n MET 102 Cb 0.48 -1.14 -0.08 0.00 -0.71 0.00 0.00 33.22 31.76 3dp3 n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3dp3 s THR 103 N -2.44 0.15 -0.07 2.03 -4.23 -0.90 -4.97 115.64 105.20 3dp3 s THR 103 Ca -0.23 -1.50 -0.04 0.00 -1.18 0.00 0.00 61.69 58.74 3dp3 s THR 103 Cb 0.07 -1.58 0.03 0.00 1.34 0.00 0.00 72.50 72.36 3dp3 s THR 103 CO 0.31 -0.66 0.17 -0.63 -0.54 0.00 0.00 174.62 173.27 3dp3 s ILE 104 N -3.92 -0.03 0.15 2.99 1.01 -1.26 -1.56 121.20 118.58 3dp3 s ILE 104 Ca 0.10 0.11 -0.17 0.00 0.00 0.00 0.00 60.65 60.70 3dp3 s ILE 104 Cb 0.06 -0.26 0.03 0.00 0.01 0.00 0.00 42.46 42.30 3dp3 s ILE 104 CO -0.07 0.05 0.45 -0.62 0.00 0.00 0.00 174.94 174.74 3dp3 s ASP 105 N 0.81 -0.25 -1.49 3.58 3.68 -0.58 -4.97 116.67 117.44 3dp3 s ASP 105 Ca -0.06 -0.38 -0.08 0.00 2.13 0.00 0.00 52.55 54.16 3dp3 s ASP 105 Cb -0.08 0.51 0.06 0.00 -1.45 0.00 0.00 42.92 41.97 3dp3 s ASP 105 CO -0.04 -0.93 0.71 0.29 0.13 0.00 0.00 175.17 175.33 3dp3 n LYS 106 N -0.27 -4.17 -3.80 4.34 5.02 -1.26 -1.85 118.16 116.16 3dp3 n LYS 106 Ca -0.14 0.49 -0.37 0.00 -2.02 0.00 0.00 58.31 56.27 3dp3 n LYS 106 Cb 0.63 -5.04 -0.06 0.00 -0.02 0.00 0.00 35.03 30.54 3dp3 n LYS 106 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dp3 s VAL 107 N -3.57 5.44 -0.02 -0.18 0.11 -1.26 -3.89 120.40 117.02 3dp3 s VAL 107 Ca 0.36 0.28 -0.01 0.00 -2.93 0.00 0.00 61.98 59.68 3dp3 s VAL 107 Cb -0.19 -3.45 0.02 0.00 -1.53 0.00 0.00 36.38 31.24 3dp3 s VAL 107 CO 0.87 0.57 0.05 -0.54 -3.33 0.00 0.00 175.10 172.72 3dp3 s LYS 108 N -0.70 0.01 -0.18 1.54 1.02 -0.87 -4.96 119.74 115.59 3dp3 s LYS 108 Ca 0.14 0.17 -0.06 0.00 0.02 0.00 0.00 55.97 56.25 3dp3 s LYS 108 Cb -0.12 -0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.00 3dp3 s LYS 108 CO 0.04 -0.12 0.02 -0.06 -0.92 0.00 0.00 175.35 174.31 3dp3 s PHE 109 N 0.77 3.12 -0.15 3.18 0.40 -1.26 -0.94 117.98 123.10 3dp3 s PHE 109 Ca -0.06 -0.19 0.04 0.00 -0.60 0.00 0.00 56.93 56.13 3dp3 s PHE 109 Cb -0.09 -2.06 -0.12 0.00 0.51 0.00 0.00 43.02 41.26 3dp3 s PHE 109 CO -0.03 -0.03 -0.08 0.54 0.70 0.00 0.00 175.22 176.33 3dp3 n ARG 110 N 3.80 0.91 -4.17 0.44 1.74 -0.40 -4.98 116.66 114.00 3dp3 n ARG 110 Ca -0.17 0.06 -0.19 0.00 -0.77 0.00 0.00 57.85 56.79 3dp3 n ARG 110 Cb 0.52 -1.32 -0.16 0.00 -1.02 0.00 0.00 32.46 30.48 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 -2.31 0.50 0.35 0.55 1.01 -1.17 -5.05 121.20 115.08 3dp3 s ILE 111 Ca -0.17 -0.16 -0.28 0.00 0.00 0.00 0.00 60.65 60.05 3dp3 s ILE 111 Cb 0.05 -0.50 -0.10 0.00 0.01 0.00 0.00 42.46 41.92 3dp3 s ILE 111 CO 0.42 0.19 1.35 -2.16 0.00 0.00 0.00 174.94 174.74 3dp3 s PRO 112 N 0.58 4.25 -0.15 2.79 0.04 -1.26 -4.80 135.00 136.44 3dp3 s PRO 112 Ca -0.07 2.30 -0.08 0.00 0.04 0.00 0.00 61.00 63.18 3dp3 s PRO 112 Cb -0.11 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 3dp3 s PRO 112 CO -0.00 -0.31 0.15 0.08 0.04 0.00 0.00 177.00 176.96 3dp3 s VAL 113 N -1.15 5.46 0.26 -0.36 1.01 -1.26 -5.03 120.40 119.33 3dp3 s VAL 113 Ca 0.51 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.73 3dp3 s VAL 113 Cb -0.41 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3dp3 s VAL 113 CO 0.55 0.55 0.14 0.42 0.00 0.00 0.00 175.10 176.76 3dp3 s THR 114 N -0.48 0.26 0.20 3.92 -4.23 -1.26 -0.87 115.64 113.16 3dp3 s THR 114 Ca 0.13 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.31 3dp3 s THR 114 Cb -0.12 -2.54 -0.14 0.00 1.34 0.00 0.00 72.50 71.04 3dp3 s THR 114 CO 0.02 0.00 1.48 -2.65 -0.54 0.00 0.00 174.62 172.93 3dp3 n PRO 115 N -0.44 2.04 0.00 3.99 -0.02 -1.26 -1.63 135.00 137.67 3dp3 n PRO 115 Ca 0.02 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3dp3 n PRO 115 Cb 0.65 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 2.73 1.06 3.83 -1.23 0.00 0.18 -4.91 105.19 106.85 3dp3 n GLY 116 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.84 6.94 -0.43 1.61 1.01 -0.64 -4.90 116.67 118.41 3dp3 s ASP 117 Ca 0.00 1.35 -0.12 0.00 0.71 0.00 0.00 52.55 54.50 3dp3 s ASP 117 Cb 0.00 -2.40 0.07 0.00 1.01 0.00 0.00 42.92 41.60 3dp3 s ASP 117 CO 0.00 -0.06 0.31 -0.60 0.21 0.00 0.00 175.17 175.03 3dp3 s ARG 118 N -2.38 2.78 -0.56 8.23 3.52 -1.26 -1.03 118.95 128.25 3dp3 s ARG 118 Ca 0.47 -1.37 -0.22 0.00 -0.13 0.00 0.00 55.73 54.48 3dp3 s ARG 118 Cb -0.14 -3.91 0.05 0.00 -1.56 0.00 0.00 34.95 29.39 3dp3 s ARG 118 CO 0.19 -0.95 0.83 -1.17 -0.81 0.00 0.00 175.30 173.39 3dp3 s LEU 119 N 1.52 4.49 -0.19 -0.88 2.96 -0.37 -4.34 118.68 121.87 3dp3 s LEU 119 Ca 0.03 -0.69 -0.15 0.00 -0.22 0.00 0.00 54.13 53.11 3dp3 s LEU 119 Cb -0.23 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 3dp3 s LEU 119 CO 0.04 -1.15 0.34 -0.70 -1.32 0.00 0.00 176.35 173.56 3dp3 s GLU 120 N 3.49 4.19 -0.16 1.98 2.12 0.61 -0.55 118.70 130.38 3dp3 s GLU 120 Ca 0.23 0.11 -0.14 0.00 0.36 0.00 0.00 54.97 55.53 3dp3 s GLU 120 Cb -0.16 -3.50 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 3dp3 s GLU 120 CO 0.15 0.06 0.31 0.71 -0.54 0.00 0.00 175.26 175.95 3dp3 s TYR 121 N 1.03 3.46 -0.32 5.30 1.51 0.55 0.10 117.35 128.98 3dp3 s TYR 121 Ca 0.17 0.63 0.03 0.00 -1.01 0.00 0.00 57.07 56.88 3dp3 s TYR 121 Cb -0.14 -2.37 0.10 0.00 -0.11 0.00 0.00 41.96 39.44 3dp3 s TYR 121 CO 0.06 0.22 0.05 -1.01 -1.11 0.00 0.00 175.55 173.77 3dp3 s HIS 122 N 0.50 3.14 -0.01 2.71 3.76 0.26 -1.07 115.29 124.58 3dp3 s HIS 122 Ca 0.18 -2.58 0.07 0.00 -0.15 0.00 0.00 55.06 52.58 3dp3 s HIS 122 Cb -0.13 -2.50 -0.02 0.00 1.11 0.00 0.00 32.58 31.04 3dp3 s HIS 122 CO 0.05 -0.92 -0.23 -0.51 -0.85 0.00 0.00 174.74 172.28 3dp3 s LEU 123 N 1.12 2.05 0.20 0.89 1.02 -0.58 -1.10 118.68 122.28 3dp3 s LEU 123 Ca 0.09 -0.43 0.09 0.00 0.02 0.00 0.00 54.13 53.90 3dp3 s LEU 123 Cb -0.19 -1.17 -0.04 0.00 0.02 0.00 0.00 46.19 44.81 3dp3 s LEU 123 CO -0.12 0.27 -0.17 -1.83 0.02 0.00 0.00 176.35 174.52 3dp3 s GLU 124 N -0.60 1.36 -0.11 1.70 -1.05 -0.45 -0.48 118.70 119.07 3dp3 s GLU 124 Ca 0.09 -1.53 -0.28 0.00 -0.15 0.00 0.00 54.97 53.10 3dp3 s GLU 124 Cb -0.09 -1.33 -0.02 0.00 -0.44 0.00 0.00 34.13 32.26 3dp3 s GLU 124 CO -0.01 0.25 0.94 0.08 0.95 0.00 0.00 175.26 177.47 3dp3 s VAL 125 N -2.44 4.84 -0.22 1.83 1.01 0.15 -1.97 120.40 123.59 3dp3 s VAL 125 Ca 0.20 1.90 -0.00 0.00 0.00 0.00 0.00 61.98 64.08 3dp3 s VAL 125 Cb -0.04 -4.25 -0.20 0.00 0.00 0.00 0.00 36.38 31.89 3dp3 s VAL 125 CO 0.08 0.04 -0.05 0.18 0.00 0.00 0.00 175.10 175.35 3dp3 n LEU 126 N 4.86 2.87 -3.57 3.92 4.77 0.56 -4.95 117.00 125.45 3dp3 n LEU 126 Ca 0.07 -0.04 -0.11 0.00 -0.03 0.00 0.00 56.01 55.90 3dp3 n LEU 126 Cb 0.49 -0.97 -0.05 0.00 -2.33 0.00 0.00 43.42 40.57 3dp3 n LEU 126 CO 0.51 0.91 0.77 -0.75 -1.33 0.00 0.00 177.39 177.50 3dp3 s LYS 127 N -2.53 0.61 0.12 3.23 2.20 -0.88 -5.02 119.74 117.47 3dp3 s LYS 127 Ca -0.31 0.13 -0.22 0.00 -0.36 0.00 0.00 55.97 55.21 3dp3 s LYS 127 Cb 0.08 0.29 0.06 0.00 -1.51 0.00 0.00 37.83 36.75 3dp3 s LYS 127 CO 0.65 -0.19 0.55 -3.38 -0.36 0.00 0.00 175.35 172.62 3dp3 s HIS 128 N -1.19 -0.45 -0.30 4.03 -3.43 -1.26 0.52 115.29 113.20 3dp3 s HIS 128 Ca -0.02 0.31 -0.15 0.00 -0.80 0.00 0.00 55.06 54.40 3dp3 s HIS 128 Cb -0.00 0.45 0.17 0.00 -1.43 0.00 0.00 32.58 31.76 3dp3 s HIS 128 CO 0.01 -0.76 1.03 0.21 -2.00 0.00 0.00 174.74 173.23 3dp3 s LYS 129 N -3.36 0.25 7.45 -0.38 2.20 -0.28 -5.02 119.74 120.61 3dp3 s LYS 129 Ca -0.01 0.63 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 3dp3 s LYS 129 Cb -0.00 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 3dp3 s LYS 129 CO -0.09 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 3dp3 n GLY 130 N 4.95 2.83 0.05 5.54 0.00 -1.26 -1.76 105.19 115.53 3dp3 n GLY 130 Ca -0.08 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 13.54 0.21 -3.20 1.61 2.81 -1.26 -4.83 117.12 126.00 3dp3 n MET 131 Ca 0.00 -0.09 -0.41 0.00 -1.81 0.00 0.00 57.70 55.38 3dp3 n MET 131 Cb 0.00 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 30.94 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 -2.85 4.99 -0.09 2.02 1.01 -0.72 -1.91 121.20 123.65 3dp3 s ILE 132 Ca 0.16 0.53 0.05 0.00 0.00 0.00 0.00 60.65 61.39 3dp3 s ILE 132 Cb 0.18 -3.97 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 3dp3 s ILE 132 CO 0.60 -0.18 -0.24 0.26 0.00 0.00 0.00 174.94 175.38 3dp3 s TRP 133 N 2.47 2.52 -0.25 3.97 0.52 -0.32 -1.13 118.94 126.73 3dp3 s TRP 133 Ca 0.21 -0.95 -0.03 0.00 0.02 0.00 0.00 56.10 55.34 3dp3 s TRP 133 Cb -0.15 -1.68 0.01 0.00 -1.15 0.00 0.00 33.47 30.50 3dp3 s TRP 133 CO 0.13 -0.36 -0.03 -1.14 0.02 0.00 0.00 176.95 175.57 3dp3 s GLN 134 N 0.19 3.04 0.30 4.98 0.74 0.18 -0.78 119.66 128.31 3dp3 s GLN 134 Ca -0.14 -0.85 0.08 0.00 0.05 0.00 0.00 55.36 54.49 3dp3 s GLN 134 Cb -0.17 -3.07 -0.06 0.00 1.10 0.00 0.00 33.01 30.82 3dp3 s GLN 134 CO 0.07 -0.35 -0.08 0.14 -0.55 0.00 0.00 175.29 174.52 3dp3 s VAL 135 N 1.40 1.87 0.02 1.34 -7.23 0.07 -0.32 120.40 117.56 3dp3 s VAL 135 Ca 0.02 -2.17 -0.26 0.00 -1.81 0.00 0.00 61.98 57.76 3dp3 s VAL 135 Cb -0.16 -2.49 0.06 0.00 0.56 0.00 0.00 36.38 34.35 3dp3 s VAL 135 CO -0.03 -0.28 0.60 -0.83 -0.31 0.00 0.00 175.10 174.25 3dp3 s GLY 136 N -3.49 -0.52 0.00 2.32 0.00 -0.83 -0.50 107.32 104.29 3dp3 s GLY 136 Ca 0.30 0.90 0.00 0.00 0.00 0.00 0.00 44.72 45.92 3dp3 s GLY 136 CO 0.13 0.57 0.00 0.61 0.00 0.00 0.00 173.10 174.41 3dp3 n GLY 137 N 0.53 -0.70 3.25 0.20 0.00 0.01 -1.34 105.19 107.14 3dp3 n GLY 137 Ca -0.19 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 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 0.09 -0.06 2.61 -4.23 -0.26 -1.50 115.64 108.29 3dp3 s THR 138 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 3dp3 s THR 138 Cb 0.00 -2.51 -0.00 0.00 1.34 0.00 0.00 72.50 71.33 3dp3 s THR 138 CO 0.00 0.00 -0.18 0.00 -0.54 0.00 0.00 174.62 173.90 3dp3 s ALA 139 N -3.89 1.65 0.09 3.99 0.00 -0.36 -0.58 121.76 122.68 3dp3 s ALA 139 Ca 0.39 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.66 3dp3 s ALA 139 Cb 0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3dp3 s ALA 139 CO 0.16 0.26 -0.10 -0.65 0.00 0.00 0.00 175.76 175.44 3dp3 s GLN 140 N 0.19 0.83 -0.07 0.00 -0.21 0.11 -0.57 119.66 119.95 3dp3 s GLN 140 Ca -0.09 -1.13 -0.01 0.00 0.02 0.00 0.00 55.36 54.16 3dp3 s GLN 140 Cb -0.14 -0.52 0.03 0.00 1.00 0.00 0.00 33.01 33.37 3dp3 s GLN 140 CO 0.04 0.08 -0.03 0.08 -2.12 0.00 0.00 175.29 173.34 3dp3 s VAL 141 N -2.37 0.54 -1.48 1.09 1.01 -0.42 -0.29 120.40 118.49 3dp3 s VAL 141 Ca 0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 3dp3 s VAL 141 Cb -0.03 -0.64 0.06 0.00 0.00 0.00 0.00 36.38 35.77 3dp3 s VAL 141 CO -0.00 0.27 0.85 -0.67 0.00 0.00 0.00 175.10 175.55 3dp3 n ASP 142 N 4.83 -3.35 0.00 3.32 4.64 -1.26 -1.59 116.55 123.13 3dp3 n ASP 142 Ca -0.13 -0.83 0.00 0.00 -1.38 0.00 0.00 54.79 52.45 3dp3 n ASP 142 Cb 0.50 -3.75 0.00 0.00 -1.04 0.00 0.00 41.12 36.83 3dp3 n ASP 142 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3dp3 n GLY 143 N -1.67 0.61 3.52 0.27 0.00 -1.26 -5.01 105.19 101.65 3dp3 n GLY 143 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3dp3 n GLY 143 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dp3 s LYS 144 N -0.33 2.89 -0.22 1.61 2.20 -0.62 -5.08 119.74 120.19 3dp3 s LYS 144 Ca 0.00 -0.60 -0.29 0.00 -0.36 0.00 0.00 55.97 54.72 3dp3 s LYS 144 Cb 0.00 -2.58 -0.02 0.00 -1.51 0.00 0.00 37.83 33.71 3dp3 s LYS 144 CO 0.00 0.54 1.54 0.08 -0.36 0.00 0.00 175.35 177.15 3dp3 s VAL 145 N -0.48 3.81 -0.63 4.02 1.01 -1.26 -1.30 120.40 125.57 3dp3 s VAL 145 Ca 0.07 0.92 0.22 0.00 0.00 0.00 0.00 61.98 63.18 3dp3 s VAL 145 Cb -0.12 -3.80 -0.26 0.00 0.00 0.00 0.00 36.38 32.21 3dp3 s VAL 145 CO 0.02 -0.31 0.77 1.33 0.00 0.00 0.00 175.10 176.91 3dp3 n VAL 146 N 6.26 0.01 -3.52 2.92 0.24 0.27 -4.54 118.33 119.97 3dp3 n VAL 146 Ca 0.18 -0.20 -0.10 0.00 -2.04 0.00 0.00 64.34 62.18 3dp3 n VAL 146 Cb 0.45 0.58 -0.03 0.00 -1.47 0.00 0.00 33.84 33.37 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 -3.20 -1.83 0.10 2.33 0.00 -1.07 -1.27 121.76 116.81 3dp3 s ALA 147 Ca 0.02 1.17 0.06 0.00 0.00 0.00 0.00 51.96 53.22 3dp3 s ALA 147 Cb 0.15 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 3dp3 s ALA 147 CO 0.88 -0.55 -0.17 -1.21 0.00 0.00 0.00 175.76 174.71 3dp3 s GLU 148 N -2.39 0.98 -0.12 0.00 2.02 -0.11 -1.22 118.70 117.86 3dp3 s GLU 148 Ca 0.01 -1.10 -0.31 0.00 0.02 0.00 0.00 54.97 53.59 3dp3 s GLU 148 Cb -0.01 -1.06 0.13 0.00 0.10 0.00 0.00 34.13 33.29 3dp3 s GLU 148 CO -0.04 0.23 1.03 0.00 0.02 0.00 0.00 175.26 176.50 3dp3 s ALA 149 N -1.45 -1.94 0.02 5.21 0.00 -0.56 -2.06 121.76 120.99 3dp3 s ALA 149 Ca 0.04 1.41 0.03 0.00 0.00 0.00 0.00 51.96 53.44 3dp3 s ALA 149 Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3dp3 s ALA 149 CO 0.03 -0.50 -0.09 -1.21 0.00 0.00 0.00 175.76 173.99 3dp3 s GLU 150 N -2.11 0.66 0.01 0.00 2.02 -0.77 -0.81 118.70 117.71 3dp3 s GLU 150 Ca 0.04 -0.57 -0.28 0.00 0.02 0.00 0.00 54.97 54.18 3dp3 s GLU 150 Cb -0.01 -0.59 0.07 0.00 0.10 0.00 0.00 34.13 33.70 3dp3 s GLU 150 CO -0.04 0.14 0.67 -0.48 0.02 0.00 0.00 175.26 175.57 3dp3 s LEU 151 N -0.91 -0.61 -0.07 1.80 0.05 0.35 -1.53 118.68 117.75 3dp3 s LEU 151 Ca -0.02 0.47 0.04 0.00 0.05 0.00 0.00 54.13 54.67 3dp3 s LEU 151 Cb -0.07 2.52 -0.00 0.00 -2.05 0.00 0.00 46.19 46.59 3dp3 s LEU 151 CO 0.00 -0.71 -0.21 -0.75 -0.55 0.00 0.00 176.35 174.13 3dp3 s LYS 152 N -2.03 2.44 0.19 1.48 2.20 -0.60 -0.75 119.74 122.66 3dp3 s LYS 152 Ca -0.07 -0.76 0.05 0.00 -0.36 0.00 0.00 55.97 54.83 3dp3 s LYS 152 Cb -0.00 -1.97 -0.05 0.00 -1.51 0.00 0.00 37.83 34.30 3dp3 s LYS 152 CO 0.02 0.23 -0.07 0.00 -0.36 0.00 0.00 175.35 175.17 3dp3 s ALA 153 N 0.18 1.69 -0.06 3.13 0.00 0.04 -0.13 121.76 126.62 3dp3 s ALA 153 Ca -0.11 -1.63 0.02 0.00 0.00 0.00 0.00 51.96 50.24 3dp3 s ALA 153 Cb -0.15 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.19 3dp3 s ALA 153 CO 0.05 -0.14 -0.10 1.41 0.00 0.00 0.00 175.76 176.99 3dp3 s MET 154 N -3.78 1.40 -0.04 0.00 1.75 0.93 -1.17 119.30 118.39 3dp3 s MET 154 Ca 0.22 -0.32 -0.18 0.00 -1.25 0.00 0.00 55.69 54.17 3dp3 s MET 154 Cb 0.03 -1.21 -0.05 0.00 2.84 0.00 0.00 34.83 36.45 3dp3 s MET 154 CO 0.05 0.00 0.49 0.42 -0.65 0.00 0.00 175.02 175.33 3dp3 s ILE 155 N 0.71 5.04 0.13 10.11 1.01 -0.80 -0.01 121.20 137.38 3dp3 s ILE 155 Ca -0.13 1.00 -0.01 0.00 0.00 0.00 0.00 60.65 61.50 3dp3 s ILE 155 Cb -0.15 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3dp3 s ILE 155 CO 0.03 0.44 0.06 0.00 0.00 0.00 0.00 174.94 175.46 3dp3 s ALA 156 N -0.18 0.80 -0.24 9.38 0.00 -0.65 -4.78 121.76 126.09 3dp3 s ALA 156 Ca 0.26 -1.43 -0.29 0.00 0.00 0.00 0.00 51.96 50.51 3dp3 s ALA 156 Cb -0.17 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.78 3dp3 s ALA 156 CO 0.13 -0.49 1.15 -1.21 0.00 0.00 0.00 175.76 175.35 3dp3 s GLU 157 N -4.04 4.16 0.00 0.00 0.41 -1.26 -1.20 118.70 116.77 3dp3 s GLU 157 Ca 0.23 1.37 0.00 0.00 -0.41 0.00 0.00 54.97 56.15 3dp3 s GLU 157 Cb 0.07 -3.73 0.00 0.00 -1.78 0.00 0.00 34.13 28.69 3dp3 s GLU 157 CO 0.01 -0.79 0.00 -2.13 -0.49 0.00 0.00 175.26 171.86