#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcb s ILE 2 N 0.00 4.87 -0.06 4.25 -1.09 -1.26 -5.05 121.20 122.86 3pcb s ILE 2 Ca 0.00 1.77 0.05 0.00 -2.23 0.00 0.00 60.65 60.24 3pcb s ILE 2 Cb 0.00 -4.19 -0.01 0.00 -1.58 0.00 0.00 42.46 36.68 3pcb s ILE 2 CO 0.00 0.24 -0.22 -1.61 -1.23 0.00 0.00 174.94 172.12 3pcb s GLU 3 N 0.65 2.62 0.19 2.79 0.41 -1.26 -5.14 118.70 118.97 3pcb s GLU 3 Ca 0.44 -0.85 0.03 0.00 -0.41 0.00 0.00 54.97 54.18 3pcb s GLU 3 Cb -0.20 -2.24 0.03 0.00 -1.78 0.00 0.00 34.13 29.94 3pcb s GLU 3 CO 0.24 0.40 0.27 1.28 -0.49 0.00 0.00 175.26 176.96 3pcb n LEU 4 N 2.90 0.00 -4.76 1.80 4.32 -1.26 -5.05 117.00 114.95 3pcb n LEU 4 Ca -0.17 -0.81 -0.41 0.00 -0.02 0.00 0.00 56.01 54.60 3pcb n LEU 4 Cb 0.52 -0.14 -0.03 0.00 -1.62 0.00 0.00 43.42 42.15 3pcb n LEU 4 CO 0.26 -0.57 0.89 -0.76 -1.22 0.00 0.00 177.39 175.99 3pcb s LEU 5 N 0.00 4.48 0.32 2.23 1.43 -1.26 -4.97 118.68 120.91 3pcb s LEU 5 Ca 0.20 2.48 -0.28 0.00 -1.03 0.00 0.00 54.13 55.50 3pcb s LEU 5 Cb -0.02 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.47 3pcb s LEU 5 CO 0.13 -0.35 1.10 -2.16 0.23 0.00 0.00 176.35 175.29 3pcb s PRO 6 N -1.52 4.47 0.55 1.29 0.04 -1.26 -5.00 135.00 133.57 3pcb s PRO 6 Ca 0.47 1.75 -0.20 0.00 0.04 0.00 0.00 61.00 63.06 3pcb s PRO 6 Cb -0.36 -2.98 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 3pcb s PRO 6 CO 0.47 0.07 1.23 -2.00 0.04 0.00 0.00 177.00 176.80 3pcb s GLU 7 N -1.78 3.19 0.24 4.56 2.12 -1.26 -4.94 118.70 120.83 3pcb s GLU 7 Ca 0.49 1.90 -0.31 0.00 0.36 0.00 0.00 54.97 57.41 3pcb s GLU 7 Cb -0.30 -2.11 -0.11 0.00 0.26 0.00 0.00 34.13 31.88 3pcb s GLU 7 CO 0.38 -1.05 1.55 0.99 -0.54 0.00 0.00 175.26 176.59 3pcb s THR 8 N -1.52 2.39 0.38 -1.70 2.01 -1.26 -4.94 115.64 111.00 3pcb s THR 8 Ca 0.73 0.31 -0.26 0.00 0.31 0.00 0.00 61.69 62.78 3pcb s THR 8 Cb -0.32 -3.20 -0.09 0.00 0.01 0.00 0.00 72.50 68.91 3pcb s THR 8 CO 0.36 0.04 1.21 -2.84 -0.69 0.00 0.00 174.62 172.70 3pcb s PRO 9 N 0.11 4.12 0.73 4.92 0.02 -1.26 -5.03 135.00 138.60 3pcb s PRO 9 Ca 0.65 1.95 -0.11 0.00 0.02 0.00 0.00 61.00 63.50 3pcb s PRO 9 Cb -0.45 -2.78 0.03 0.00 0.02 0.00 0.00 34.50 31.32 3pcb s PRO 9 CO 0.41 -0.30 1.07 0.45 -0.33 0.00 0.00 177.00 178.30 3pcb s SER 10 N -0.96 5.06 -0.03 2.53 0.15 -1.26 -5.08 113.70 114.11 3pcb s SER 10 Ca 0.55 1.57 -0.15 0.00 0.70 0.00 0.00 55.95 58.63 3pcb s SER 10 Cb -0.33 -2.40 0.02 0.00 -1.71 0.00 0.00 66.02 61.60 3pcb s SER 10 CO 0.43 -1.64 0.32 -1.10 1.20 0.00 0.00 173.24 172.44 3pcb s GLN 11 N -5.05 0.63 0.61 5.44 -1.52 -1.16 -4.91 119.66 113.71 3pcb s GLN 11 Ca 0.59 -0.10 -0.18 0.00 -1.95 0.00 0.00 55.36 53.73 3pcb s GLN 11 Cb -0.15 0.28 -0.05 0.00 -0.22 0.00 0.00 33.01 32.88 3pcb s GLN 11 CO 0.55 -0.17 0.84 -2.37 -0.25 0.00 0.00 175.29 173.89 3pcb n THR 12 N 1.50 3.29 0.16 -0.19 5.66 -1.17 -4.82 114.28 118.71 3pcb n THR 12 Ca -0.20 -0.49 0.03 0.00 -3.05 0.00 0.00 64.05 60.34 3pcb n THR 12 Cb 0.56 -1.01 0.25 0.00 -1.55 0.00 0.00 70.33 68.58 3pcb n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pcb h ALA 13 N 0.29 0.96 0.00 1.79 0.00 -1.74 -3.49 119.26 117.07 3pcb h ALA 13 Ca -0.48 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 53.99 3pcb h ALA 13 Cb 1.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3pcb h ALA 13 CO 0.49 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.75 3pcb n GLY 14 N 0.31 -1.57 0.26 0.00 0.00 -1.26 -4.14 105.19 98.78 3pcb n GLY 14 Ca -0.00 -1.55 0.16 0.00 0.00 0.00 0.00 46.02 44.63 3pcb n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pcb h PRO 15 N 0.00 0.00 -0.64 1.61 0.13 -1.93 -3.21 132.00 127.96 3pcb h PRO 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3pcb h PRO 15 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3pcb h PRO 15 CO 0.00 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.43 3pcb n TYR 16 N -3.04 1.67 -0.33 1.56 4.01 -1.26 -4.63 117.16 115.14 3pcb n TYR 16 Ca 0.01 -0.64 0.34 0.00 -0.16 0.00 0.00 57.90 57.45 3pcb n TYR 16 Cb 0.35 -0.32 0.71 0.00 -0.31 0.00 0.00 39.34 39.77 3pcb n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pcb h VAL 17 N 4.12 0.41 -0.68 -0.72 3.04 -1.71 -1.87 116.25 118.85 3pcb h VAL 17 Ca 0.00 -0.02 0.01 0.00 -1.01 0.00 0.00 66.70 65.68 3pcb h VAL 17 Cb 1.61 0.33 -0.03 0.00 -2.01 0.00 0.00 31.29 31.19 3pcb h VAL 17 CO 0.31 0.01 0.45 0.45 -1.01 0.00 0.00 177.57 177.78 3pcb h HIS 18 N 0.07 0.84 -0.53 3.17 3.86 -1.86 -1.38 115.15 119.32 3pcb h HIS 18 Ca 0.59 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.83 3pcb h HIS 18 Cb 2.18 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 30.34 3pcb h HIS 18 CO -0.00 0.52 0.35 -0.84 0.86 0.00 0.00 177.93 178.82 3pcb h ILE 19 N 0.90 1.10 0.14 2.45 3.07 -1.57 0.16 117.51 123.76 3pcb h ILE 19 Ca 0.25 -0.23 -0.35 0.00 1.55 0.00 0.00 64.86 66.09 3pcb h ILE 19 Cb -0.07 0.38 -0.01 0.00 -0.27 0.00 0.00 36.82 36.85 3pcb h ILE 19 CO -0.06 0.12 -1.84 1.23 -1.05 0.00 0.00 178.15 176.55 3pcb h GLY 20 N 0.66 0.35 0.00 0.16 0.00 -1.63 -3.42 103.07 99.19 3pcb h GLY 20 Ca 0.20 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3pcb h GLY 20 CO -0.05 0.78 0.00 1.04 0.00 0.00 0.00 176.54 178.32 3pcb n LEU 21 N -3.59 1.39 -2.80 3.11 4.77 -0.55 -4.83 117.00 114.49 3pcb n LEU 21 Ca -0.29 -1.39 -0.10 0.00 -0.03 0.00 0.00 56.01 54.20 3pcb n LEU 21 Cb 1.04 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.19 3pcb n LEU 21 CO 0.45 0.35 0.24 0.00 -1.33 0.00 0.00 177.39 177.10 3pcb n ALA 22 N -0.24 -0.35 -0.17 -1.18 0.00 0.52 -4.97 120.51 114.12 3pcb n ALA 22 Ca 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 53.44 51.56 3pcb n ALA 22 Cb 0.15 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 3pcb n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pcb h LEU 23 N 3.03 -1.60 -0.55 0.00 4.07 -1.68 0.84 115.31 119.43 3pcb h LEU 23 Ca -0.07 0.24 0.09 0.00 0.08 0.00 0.00 57.88 58.22 3pcb h LEU 23 Cb 1.08 0.69 -0.07 0.00 1.08 0.00 0.00 40.66 43.44 3pcb h LEU 23 CO 0.20 -0.36 0.16 -0.08 -1.08 0.00 0.00 178.44 177.27 3pcb h GLU 24 N -0.30 0.30 -0.47 1.13 4.81 -1.88 -1.29 114.58 116.90 3pcb h GLU 24 Ca 0.14 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3pcb h GLU 24 Cb 0.58 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3pcb h GLU 24 CO -0.64 0.20 0.21 0.00 -0.73 0.00 0.00 179.01 178.05 3pcb h ALA 25 N 1.40 1.49 0.00 2.92 0.00 -1.37 0.30 119.26 124.01 3pcb h ALA 25 Ca 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3pcb h ALA 25 Cb 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3pcb h ALA 25 CO -0.32 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.33 3pcb n ALA 26 N -2.46 1.99 -2.63 0.00 0.00 0.10 -4.90 120.51 112.60 3pcb n ALA 26 Ca 0.04 0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 3pcb n ALA 26 Cb 0.13 -1.42 0.01 0.00 0.00 0.00 0.00 19.45 18.17 3pcb n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcb n GLY 27 N 0.70 0.72 3.48 0.00 0.00 0.09 -4.99 105.19 105.19 3pcb n GLY 27 Ca 0.04 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 3pcb n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pcb s ASN 28 N -3.05 3.67 0.34 1.61 0.01 -0.59 -5.03 114.94 111.89 3pcb s ASN 28 Ca 0.08 -0.95 -0.29 0.00 -0.71 0.00 0.00 52.86 50.99 3pcb s ASN 28 Cb -0.04 -0.36 -0.11 0.00 0.41 0.00 0.00 41.25 41.15 3pcb s ASN 28 CO 0.11 0.05 1.51 -0.81 -1.51 0.00 0.00 177.10 176.45 3pcb n PRO 29 N -0.47 2.62 -2.78 -0.60 -0.04 -1.26 -4.06 135.00 128.42 3pcb n PRO 29 Ca -0.07 0.92 -0.20 0.00 -0.04 0.00 0.00 63.50 64.12 3pcb n PRO 29 Cb 0.59 -2.66 0.03 0.00 -0.04 0.00 0.00 33.50 31.42 3pcb n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3pcb s THR 30 N -0.63 2.78 0.60 0.52 -4.23 -1.26 -4.87 115.64 108.55 3pcb s THR 30 Ca 0.58 -0.79 0.04 0.00 -1.18 0.00 0.00 61.69 60.34 3pcb s THR 30 Cb -0.50 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 70.44 3pcb s THR 30 CO 0.57 0.00 0.83 -0.13 -0.54 0.00 0.00 174.62 175.35 3pcb s ARG 31 N -4.62 2.19 0.20 3.99 0.52 -1.26 -5.01 118.95 114.97 3pcb s ARG 31 Ca 0.57 -1.24 -0.13 0.00 -0.52 0.00 0.00 55.73 54.41 3pcb s ARG 31 Cb -0.10 -2.52 0.23 0.00 0.52 0.00 0.00 34.95 33.08 3pcb s ARG 31 CO 0.36 -0.97 1.66 -0.44 0.02 0.00 0.00 175.30 175.94 3pcb h ASP 32 N -0.04 -0.33 -3.36 0.23 3.32 -2.07 -3.40 116.42 110.78 3pcb h ASP 32 Ca -0.36 0.15 -0.57 0.00 0.02 0.00 0.00 57.03 56.27 3pcb h ASP 32 Cb 1.28 0.27 -0.34 0.00 0.22 0.00 0.00 39.33 40.77 3pcb h ASP 32 CO 0.43 -0.12 -0.83 -1.10 -1.72 0.00 0.00 179.24 175.89 3pcb s GLN 33 N -6.18 2.14 0.04 3.56 -0.21 -1.26 -5.13 119.66 112.61 3pcb s GLN 33 Ca -0.14 -0.56 0.04 0.00 0.02 0.00 0.00 55.36 54.73 3pcb s GLN 33 Cb 0.18 -1.73 -0.02 0.00 1.00 0.00 0.00 33.01 32.43 3pcb s GLN 33 CO 0.73 0.04 -0.13 -1.21 -2.12 0.00 0.00 175.29 172.60 3pcb s GLU 34 N 0.68 0.87 -0.43 2.91 0.41 -1.26 -5.11 118.70 116.76 3pcb s GLU 34 Ca -0.13 -0.74 -0.22 0.00 -0.41 0.00 0.00 54.97 53.46 3pcb s GLU 34 Cb -0.16 -0.85 0.02 0.00 -1.78 0.00 0.00 34.13 31.36 3pcb s GLU 34 CO 0.04 0.21 0.72 0.42 -0.49 0.00 0.00 175.26 176.15 3pcb s ILE 35 N -0.89 4.74 0.00 -1.63 1.01 -1.26 -5.00 121.20 118.17 3pcb s ILE 35 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.01 3pcb s ILE 35 Cb -0.08 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.14 3pcb s ILE 35 CO 0.01 -0.62 0.00 1.87 0.00 0.00 0.00 174.94 176.20 3pcb n TRP 36 N 6.47 0.00 0.62 3.97 -0.00 -1.26 -4.57 117.44 122.67 3pcb n TRP 36 Ca 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.54 3pcb n TRP 36 Cb 0.48 0.00 0.14 0.00 -0.00 0.00 0.00 31.31 31.93 3pcb n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pcb n ASN 37 N 0.00 2.25 -4.04 5.87 6.94 -0.20 -1.57 115.26 124.51 3pcb n ASN 37 Ca 0.00 -2.21 -0.34 0.00 -0.02 0.00 0.00 54.58 52.01 3pcb n ASN 37 Cb 0.00 -0.43 -0.12 0.00 -2.36 0.00 0.00 39.78 36.87 3pcb n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pcb s ARG 38 N -1.64 2.19 0.21 -3.83 6.06 -1.26 -0.93 118.95 119.76 3pcb s ARG 38 Ca 0.19 -2.42 0.10 0.00 -2.50 0.00 0.00 55.73 51.10 3pcb s ARG 38 Cb 0.13 -3.52 0.10 0.00 0.06 0.00 0.00 34.95 31.72 3pcb s ARG 38 CO 0.08 -1.12 1.46 -0.07 -2.50 0.00 0.00 175.30 173.15 3pcb h LEU 39 N 7.02 0.00 -8.29 -0.88 4.07 -1.24 -3.46 115.31 112.53 3pcb h LEU 39 Ca -0.05 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.39 3pcb h LEU 39 Cb 0.95 0.00 -0.28 0.00 1.08 0.00 0.00 40.66 42.40 3pcb h LEU 39 CO 0.68 0.76 -0.82 0.00 -1.08 0.00 0.00 178.44 177.99 3pcb s ALA 40 N -3.16 1.33 0.26 1.53 0.00 -1.21 0.25 121.76 120.76 3pcb s ALA 40 Ca 0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 51.96 51.15 3pcb s ALA 40 Cb 0.11 -0.32 -0.07 0.00 0.00 0.00 0.00 23.12 22.85 3pcb s ALA 40 CO 0.78 0.32 0.57 0.15 0.00 0.00 0.00 175.76 177.58 3pcb s LYS 41 N -0.53 3.77 0.46 0.00 1.02 0.12 -4.81 119.74 119.76 3pcb s LYS 41 Ca 0.06 0.24 0.36 0.00 0.02 0.00 0.00 55.97 56.64 3pcb s LYS 41 Cb -0.06 -2.62 1.52 0.00 -0.52 0.00 0.00 37.83 36.14 3pcb s LYS 41 CO -0.00 0.27 1.53 -2.30 -0.92 0.00 0.00 175.35 173.93 3pcb n PRO 42 N -0.39 -0.03 -0.78 -1.68 -0.02 -1.26 -0.04 135.00 130.80 3pcb n PRO 42 Ca 0.00 1.20 -0.01 0.00 -2.02 0.00 0.00 63.50 62.67 3pcb n PRO 42 Cb 0.53 -2.43 0.27 0.00 -0.02 0.00 0.00 33.50 31.84 3pcb n PRO 42 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3pcb n ASP 43 N -4.51 4.42 -4.79 2.55 5.75 -1.26 -4.92 116.55 113.79 3pcb n ASP 43 Ca 0.41 -2.88 -0.38 0.00 -0.01 0.00 0.00 54.79 51.92 3pcb n ASP 43 Cb 1.63 -0.68 -0.06 0.00 -1.03 0.00 0.00 41.12 40.98 3pcb n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcb s ALA 44 N -2.44 3.41 0.59 2.12 0.00 0.95 -5.03 121.76 121.36 3pcb s ALA 44 Ca 0.43 0.32 -0.18 0.00 0.00 0.00 0.00 51.96 52.53 3pcb s ALA 44 Cb 0.34 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 3pcb s ALA 44 CO 0.11 0.29 1.17 -2.14 0.00 0.00 0.00 175.76 175.19 3pcb s PRO 45 N -1.51 3.02 0.00 0.00 0.02 -1.26 -4.88 135.00 130.39 3pcb s PRO 45 Ca 0.40 1.70 0.00 0.00 0.02 0.00 0.00 61.00 63.12 3pcb s PRO 45 Cb -0.21 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.36 3pcb s PRO 45 CO 0.24 -1.14 0.00 0.41 -0.33 0.00 0.00 177.00 176.19 3pcb n GLY 46 N 0.26 -2.28 3.53 0.52 0.00 -1.26 -4.56 105.19 101.40 3pcb n GLY 46 Ca 0.13 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 3pcb n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcb s GLU 47 N -0.86 3.38 0.05 1.61 2.12 -1.26 -5.00 118.70 118.75 3pcb s GLU 47 Ca 0.00 -0.27 -0.31 0.00 0.36 0.00 0.00 54.97 54.75 3pcb s GLU 47 Cb 0.00 -3.91 -0.06 0.00 0.26 0.00 0.00 34.13 30.41 3pcb s GLU 47 CO 0.00 -0.94 1.37 -1.01 -0.54 0.00 0.00 175.26 174.15 3pcb s HIS 48 N 2.78 3.08 0.19 5.30 3.76 -1.26 -1.87 115.29 127.27 3pcb s HIS 48 Ca 0.23 0.93 0.01 0.00 -0.15 0.00 0.00 55.06 56.08 3pcb s HIS 48 Cb -0.14 -3.64 -0.05 0.00 1.11 0.00 0.00 32.58 29.86 3pcb s HIS 48 CO 0.18 -2.27 0.04 0.96 -0.85 0.00 0.00 174.74 172.79 3pcb s ILE 49 N 1.73 0.57 -0.09 0.60 -4.36 -0.05 -4.60 121.20 114.99 3pcb s ILE 49 Ca 0.63 -1.98 0.04 0.00 -0.26 0.00 0.00 60.65 59.09 3pcb s ILE 49 Cb -0.33 -2.26 -0.01 0.00 1.25 0.00 0.00 42.46 41.11 3pcb s ILE 49 CO 0.28 -0.34 -0.22 -0.22 0.24 0.00 0.00 174.94 174.68 3pcb s LEU 50 N -3.20 2.21 -0.10 0.37 2.96 -0.24 -2.41 118.68 118.28 3pcb s LEU 50 Ca 0.28 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3pcb s LEU 50 Cb 0.07 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 3pcb s LEU 50 CO 0.07 0.20 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.42 3pcb s LEU 51 N 0.13 2.85 0.05 -0.68 1.43 -0.38 -1.21 118.68 120.88 3pcb s LEU 51 Ca -0.12 -0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 52.63 3pcb s LEU 51 Cb -0.16 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.45 3pcb s LEU 51 CO 0.06 0.24 0.29 -1.48 0.23 0.00 0.00 176.35 175.70 3pcb s LEU 52 N -0.11 0.95 -0.05 1.79 -0.00 -0.99 0.33 118.68 120.60 3pcb s LEU 52 Ca -0.01 -0.23 -0.31 0.00 -0.00 0.00 0.00 54.13 53.58 3pcb s LEU 52 Cb -0.14 1.30 0.13 0.00 -0.00 0.00 0.00 46.19 47.49 3pcb s LEU 52 CO 0.03 -0.62 1.33 -0.83 -0.00 0.00 0.00 176.35 176.27 3pcb s GLY 53 N -2.11 -0.43 0.25 -3.48 0.00 -0.70 -1.08 107.32 99.78 3pcb s GLY 53 Ca -0.04 0.82 0.11 0.00 0.00 0.00 0.00 44.72 45.61 3pcb s GLY 53 CO -0.04 0.16 -0.19 1.20 0.00 0.00 0.00 173.10 174.23 3pcb s GLN 54 N -2.30 1.58 -0.09 2.90 -0.21 -1.26 -0.85 119.66 119.44 3pcb s GLN 54 Ca 0.14 -1.70 0.03 0.00 0.02 0.00 0.00 55.36 53.85 3pcb s GLN 54 Cb 0.05 -1.64 0.01 0.00 1.00 0.00 0.00 33.01 32.44 3pcb s GLN 54 CO -0.05 0.31 -0.18 0.08 -2.12 0.00 0.00 175.29 173.33 3pcb s VAL 55 N -2.51 1.58 0.06 1.09 1.01 -1.26 -0.86 120.40 119.51 3pcb s VAL 55 Ca 0.27 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.60 3pcb s VAL 55 Cb -0.04 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 3pcb s VAL 55 CO 0.13 0.45 -0.20 -0.31 0.00 0.00 0.00 175.10 175.17 3pcb s TYR 56 N 0.57 2.49 0.47 5.22 2.02 0.97 -0.17 117.35 128.92 3pcb s TYR 56 Ca -0.15 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.23 3pcb s TYR 56 Cb -0.17 -1.42 0.10 0.00 -0.40 0.00 0.00 41.96 40.07 3pcb s TYR 56 CO 0.05 0.25 0.64 -0.40 -1.57 0.00 0.00 175.55 174.52 3pcb n ASP 57 N 1.46 0.66 0.11 2.29 5.68 0.20 -1.83 116.55 125.13 3pcb n ASP 57 Ca -0.16 -1.60 0.11 0.00 -0.50 0.00 0.00 54.79 52.63 3pcb n ASP 57 Cb 0.52 -0.43 0.47 0.00 -1.14 0.00 0.00 41.12 40.54 3pcb n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3pcb n GLY 58 N 0.30 -1.13 0.86 6.12 0.00 -1.26 -1.57 105.19 108.50 3pcb n GLY 58 Ca 0.10 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3pcb n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pcb n ASN 59 N -2.12 2.76 -0.29 1.61 3.02 -1.26 -4.75 115.26 114.24 3pcb n ASN 59 Ca 0.02 -1.89 -0.04 0.00 -0.03 0.00 0.00 54.58 52.64 3pcb n ASN 59 Cb 0.18 0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.40 3pcb n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcb n GLY 60 N 1.35 0.61 3.90 7.41 0.00 -0.61 -5.02 105.19 112.83 3pcb n GLY 60 Ca 0.14 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 3pcb n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pcb s HIS 61 N -2.14 3.54 0.19 1.61 3.76 -1.26 -4.85 115.29 116.14 3pcb s HIS 61 Ca 0.00 0.37 -0.30 0.00 -0.15 0.00 0.00 55.06 54.98 3pcb s HIS 61 Cb 0.00 -1.84 -0.09 0.00 1.11 0.00 0.00 32.58 31.76 3pcb s HIS 61 CO 0.00 0.62 1.36 -0.51 -0.85 0.00 0.00 174.74 175.36 3pcb s LEU 62 N -2.07 4.40 -0.49 0.89 1.43 -1.26 -0.63 118.68 120.96 3pcb s LEU 62 Ca 0.29 2.44 -0.20 0.00 -1.03 0.00 0.00 54.13 55.64 3pcb s LEU 62 Cb -0.13 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.53 3pcb s LEU 62 CO 0.21 -0.60 0.67 -0.69 0.23 0.00 0.00 176.35 176.17 3pcb s VAL 63 N 0.32 4.80 -2.18 -1.59 1.01 0.76 -4.88 120.40 118.64 3pcb s VAL 63 Ca 0.59 -0.18 0.19 0.00 0.00 0.00 0.00 61.98 62.58 3pcb s VAL 63 Cb -0.38 -4.29 0.46 0.00 0.00 0.00 0.00 36.38 32.17 3pcb s VAL 63 CO 0.37 -0.76 1.43 0.54 0.00 0.00 0.00 175.10 176.68 3pcb n ARG 64 N 6.35 2.18 -0.24 2.72 1.74 -1.26 -4.22 116.66 123.94 3pcb n ARG 64 Ca -0.04 -1.81 0.05 0.00 -0.77 0.00 0.00 57.85 55.28 3pcb n ARG 64 Cb 0.47 -1.43 0.07 0.00 -1.02 0.00 0.00 32.46 30.55 3pcb n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pcb n ASP 65 N 0.99 1.34 -4.79 0.55 5.68 -1.26 -3.98 116.55 115.08 3pcb n ASP 65 Ca 0.18 -2.55 -0.34 0.00 -0.50 0.00 0.00 54.79 51.58 3pcb n ASP 65 Cb 0.46 -0.31 -0.01 0.00 -1.14 0.00 0.00 41.12 40.12 3pcb n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3pcb s SER 66 N -1.98 6.02 -0.06 -1.12 1.04 -1.26 -4.58 113.70 111.75 3pcb s SER 66 Ca 0.17 1.95 0.02 0.00 0.48 0.00 0.00 55.95 58.57 3pcb s SER 66 Cb 0.15 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.73 3pcb s SER 66 CO 0.02 -1.01 -0.12 0.12 0.98 0.00 0.00 173.24 173.23 3pcb s PHE 67 N -2.09 1.40 -0.02 5.02 5.36 0.77 -2.50 117.98 125.92 3pcb s PHE 67 Ca 0.67 -0.51 0.05 0.00 -0.96 0.00 0.00 56.93 56.19 3pcb s PHE 67 Cb -0.18 -1.03 -0.01 0.00 -0.34 0.00 0.00 43.02 41.46 3pcb s PHE 67 CO 0.27 -0.27 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.09 3pcb s LEU 68 N 0.67 2.02 -0.07 6.12 1.02 0.26 0.20 118.68 128.89 3pcb s LEU 68 Ca -0.14 -0.30 0.04 0.00 0.02 0.00 0.00 54.13 53.74 3pcb s LEU 68 Cb -0.16 -0.86 -0.02 0.00 0.02 0.00 0.00 46.19 45.18 3pcb s LEU 68 CO 0.03 0.20 -0.19 -1.61 0.02 0.00 0.00 176.35 174.81 3pcb s GLU 69 N -0.34 2.70 0.05 1.70 2.02 -0.24 -1.33 118.70 123.26 3pcb s GLU 69 Ca 0.05 -0.78 0.07 0.00 0.02 0.00 0.00 54.97 54.33 3pcb s GLU 69 Cb -0.07 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.80 3pcb s GLU 69 CO -0.00 0.44 -0.21 0.14 0.02 0.00 0.00 175.26 175.64 3pcb s VAL 70 N -0.27 1.70 -0.05 2.63 -7.23 -0.18 -1.32 120.40 115.68 3pcb s VAL 70 Ca 0.01 -1.23 -0.02 0.00 -1.81 0.00 0.00 61.98 58.94 3pcb s VAL 70 Cb -0.13 -1.48 0.03 0.00 0.56 0.00 0.00 36.38 35.37 3pcb s VAL 70 CO 0.03 0.20 0.08 0.86 -0.31 0.00 0.00 175.10 175.97 3pcb s TRP 71 N -0.82 -0.04 0.12 2.82 -0.11 -0.61 -1.75 118.94 118.56 3pcb s TRP 71 Ca 0.08 0.32 -0.13 0.00 1.22 0.00 0.00 56.10 57.59 3pcb s TRP 71 Cb -0.09 -0.29 0.02 0.00 -1.50 0.00 0.00 33.47 31.61 3pcb s TRP 71 CO 0.02 -0.17 0.32 1.14 -4.62 0.00 0.00 176.95 173.64 3pcb s GLN 72 N 1.66 1.01 0.58 5.86 -2.07 0.12 -1.13 119.66 125.69 3pcb s GLN 72 Ca -0.02 -0.85 -0.09 0.00 -1.82 0.00 0.00 55.36 52.57 3pcb s GLN 72 Cb -0.12 0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 32.17 3pcb s GLN 72 CO -0.04 -0.37 0.96 0.00 -1.32 0.00 0.00 175.29 174.52 3pcb s ALA 73 N -3.84 3.18 0.92 2.60 0.00 -1.26 -4.45 121.76 118.91 3pcb s ALA 73 Ca 0.05 -0.20 -0.15 0.00 0.00 0.00 0.00 51.96 51.66 3pcb s ALA 73 Cb 0.03 -2.94 0.17 0.00 0.00 0.00 0.00 23.12 20.37 3pcb s ALA 73 CO -0.10 -0.58 1.27 0.16 0.00 0.00 0.00 175.76 176.51 3pcb s ASP 74 N -4.13 3.48 0.60 0.00 1.47 0.27 -4.31 116.67 114.05 3pcb s ASP 74 Ca 0.53 0.44 0.27 0.00 1.18 0.00 0.00 52.55 54.97 3pcb s ASP 74 Cb -0.11 -0.64 1.47 0.00 -0.34 0.00 0.00 42.92 43.30 3pcb s ASP 74 CO 0.51 -2.52 1.81 0.00 0.68 0.00 0.00 175.17 175.65 3pcb h ALA 75 N -1.49 1.30 -0.53 2.11 0.00 -1.81 0.27 119.26 119.11 3pcb h ALA 75 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3pcb h ALA 75 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3pcb h ALA 75 CO 0.47 -0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.51 3pcb n ASN 76 N -2.73 3.45 -2.27 0.00 3.02 -1.26 -3.77 115.26 111.70 3pcb n ASN 76 Ca -0.02 -2.19 -0.16 0.00 -0.03 0.00 0.00 54.58 52.18 3pcb n ASN 76 Cb 0.36 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 39.11 3pcb n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcb n GLY 77 N 1.15 -0.15 3.46 7.41 0.00 0.77 -4.80 105.19 113.02 3pcb n GLY 77 Ca 0.19 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3pcb n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcb s GLU 78 N -5.45 2.35 -0.36 1.61 2.02 -1.23 -4.68 118.70 112.96 3pcb s GLU 78 Ca 0.25 -0.79 -0.17 0.00 0.02 0.00 0.00 54.97 54.28 3pcb s GLU 78 Cb -0.11 -2.30 -0.00 0.00 0.10 0.00 0.00 34.13 31.82 3pcb s GLU 78 CO 0.31 0.60 0.44 0.71 0.02 0.00 0.00 175.26 177.33 3pcb s TYR 79 N -0.78 3.19 -0.67 1.61 2.02 -1.26 0.97 117.35 122.43 3pcb s TYR 79 Ca 0.12 -0.03 -0.19 0.00 -0.37 0.00 0.00 57.07 56.60 3pcb s TYR 79 Cb -0.11 -2.82 0.11 0.00 -0.40 0.00 0.00 41.96 38.74 3pcb s TYR 79 CO 0.02 -0.53 0.83 -0.65 -1.57 0.00 0.00 175.55 173.64 3pcb s GLN 80 N 2.19 3.16 0.07 -0.62 -1.52 -1.26 -4.90 119.66 116.79 3pcb s GLN 80 Ca 0.14 -1.33 0.11 0.00 -1.95 0.00 0.00 55.36 52.34 3pcb s GLN 80 Cb -0.16 -4.35 -0.18 0.00 -0.22 0.00 0.00 33.01 28.10 3pcb s GLN 80 CO 0.13 -1.63 1.03 0.38 -0.25 0.00 0.00 175.29 174.95 3pcb h ASP 81 N 9.15 0.00 -1.26 5.90 2.03 -1.97 -3.28 116.42 126.99 3pcb h ASP 81 Ca -0.21 0.00 -0.43 0.00 -0.73 0.00 0.00 57.03 55.66 3pcb h ASP 81 Cb 1.07 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.51 3pcb h ASP 81 CO 1.10 0.89 1.07 0.00 -1.03 0.00 0.00 179.24 181.28 3pcb s ALA 82 N -2.72 2.12 0.05 4.15 0.00 -1.26 -4.94 121.76 119.15 3pcb s ALA 82 Ca -0.01 -1.46 -0.31 0.00 0.00 0.00 0.00 51.96 50.18 3pcb s ALA 82 Cb 0.09 -4.46 -0.07 0.00 0.00 0.00 0.00 23.12 18.67 3pcb s ALA 82 CO 0.81 -4.19 1.55 -0.47 0.00 0.00 0.00 175.76 173.46 3pcb s TYR 83 N 8.28 2.65 -0.28 0.00 5.04 -1.26 -5.01 117.35 126.77 3pcb s TYR 83 Ca 0.60 0.54 -0.18 0.00 -2.44 0.00 0.00 57.07 55.60 3pcb s TYR 83 Cb -0.07 -3.84 0.09 0.00 0.35 0.00 0.00 41.96 38.49 3pcb s TYR 83 CO 0.04 -3.27 0.74 1.21 -1.34 0.00 0.00 175.55 172.93 3pcb s ASN 84 N 2.09 -0.85 0.59 4.32 3.84 -1.26 -5.02 114.94 118.65 3pcb s ASN 84 Ca 0.70 1.40 0.37 0.00 0.21 0.00 0.00 52.86 55.54 3pcb s ASN 84 Cb -0.37 1.36 1.75 0.00 -0.55 0.00 0.00 41.25 43.44 3pcb s ASN 84 CO 0.30 -0.23 2.12 -0.07 -2.79 0.00 0.00 177.10 176.44 3pcb h LEU 85 N 6.49 0.00 -0.70 3.21 3.38 -1.97 -1.74 115.31 123.98 3pcb h LEU 85 Ca -0.30 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 3pcb h LEU 85 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3pcb h LEU 85 CO 0.15 0.00 -0.47 -0.33 0.09 0.00 0.00 178.44 177.88 3pcb h GLU 86 N 0.00 0.00 -7.08 1.13 5.08 -2.00 -3.46 114.58 108.25 3pcb h GLU 86 Ca -0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3pcb h GLU 86 Cb 0.33 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.73 3pcb h GLU 86 CO 0.00 0.47 0.56 0.09 -1.00 0.00 0.00 179.01 179.13 3pcb n ASN 87 N -3.50 2.37 0.07 1.42 3.02 -0.66 -4.93 115.26 113.05 3pcb n ASN 87 Ca 0.00 0.89 -0.08 0.00 -0.03 0.00 0.00 54.58 55.37 3pcb n ASN 87 Cb 0.59 -1.57 -0.09 0.00 -0.61 0.00 0.00 39.78 38.09 3pcb n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pcb h ALA 88 N 0.92 0.37 -3.63 5.41 0.00 -1.89 -3.44 119.26 117.01 3pcb h ALA 88 Ca -0.51 -0.87 -0.29 0.00 0.00 0.00 0.00 54.91 53.24 3pcb h ALA 88 Cb 1.32 -0.13 -0.31 0.00 0.00 0.00 0.00 17.79 18.67 3pcb h ALA 88 CO 0.55 1.16 -0.73 0.12 0.00 0.00 0.00 179.25 180.34 3pcb s PHE 89 N -2.80 0.16 -0.07 0.00 5.36 -1.26 0.14 117.98 119.52 3pcb s PHE 89 Ca 0.00 0.02 0.06 0.00 -0.96 0.00 0.00 56.93 56.05 3pcb s PHE 89 Cb 0.10 -0.22 -0.01 0.00 -0.34 0.00 0.00 43.02 42.55 3pcb s PHE 89 CO 0.82 -0.06 -0.24 -0.80 -1.46 0.00 0.00 175.22 173.48 3pcb s ASN 90 N 0.56 2.99 0.29 6.13 0.01 0.14 -4.96 114.94 120.11 3pcb s ASN 90 Ca -0.05 -0.51 0.25 0.00 -0.71 0.00 0.00 52.86 51.85 3pcb s ASN 90 Cb -0.08 -0.94 0.73 0.00 0.41 0.00 0.00 41.25 41.37 3pcb s ASN 90 CO -0.01 0.22 1.74 0.28 -1.51 0.00 0.00 177.10 177.81 3pcb h SER 91 N 6.22 0.00 -3.87 -1.22 0.02 -1.78 -3.43 113.55 109.49 3pcb h SER 91 Ca -0.29 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.97 3pcb h SER 91 Cb 1.19 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.52 3pcb h SER 91 CO 0.47 0.00 -0.76 0.12 -1.14 0.00 0.00 176.83 175.52 3pcb s PHE 92 N -3.17 2.72 0.24 3.45 5.36 -1.26 -0.70 117.98 124.62 3pcb s PHE 92 Ca 0.09 -0.15 -0.19 0.00 -0.96 0.00 0.00 56.93 55.72 3pcb s PHE 92 Cb 0.10 -1.57 0.02 0.00 -0.34 0.00 0.00 43.02 41.23 3pcb s PHE 92 CO 0.59 0.27 0.63 0.20 -1.46 0.00 0.00 175.22 175.45 3pcb s GLY 93 N -1.18 -0.07 0.05 13.12 0.00 -0.72 -4.82 107.32 113.70 3pcb s GLY 93 Ca 0.14 -0.26 0.05 0.00 0.00 0.00 0.00 44.72 44.65 3pcb s GLY 93 CO 0.04 -0.17 -0.15 0.50 0.00 0.00 0.00 173.10 173.32 3pcb s ARG 94 N -3.90 0.93 0.18 2.90 0.52 -0.61 -1.01 118.95 117.96 3pcb s ARG 94 Ca 0.11 -0.84 -0.14 0.00 -0.52 0.00 0.00 55.73 54.33 3pcb s ARG 94 Cb -0.03 -0.96 0.01 0.00 0.52 0.00 0.00 34.95 34.49 3pcb s ARG 94 CO 0.02 0.23 0.42 -0.08 0.02 0.00 0.00 175.30 175.92 3pcb s THR 95 N -0.98 0.05 0.10 0.02 -1.32 -0.44 -1.03 115.64 112.03 3pcb s THR 95 Ca 0.01 -0.99 -0.17 0.00 -1.21 0.00 0.00 61.69 59.32 3pcb s THR 95 Cb -0.09 -1.64 0.04 0.00 -1.51 0.00 0.00 72.50 69.30 3pcb s THR 95 CO 0.02 -0.21 0.42 0.00 -2.21 0.00 0.00 174.62 172.64 3pcb s ALA 96 N -3.90 -1.01 -0.02 11.08 0.00 -1.26 -0.58 121.76 126.07 3pcb s ALA 96 Ca 0.11 0.11 -0.16 0.00 0.00 0.00 0.00 51.96 52.02 3pcb s ALA 96 Cb 0.01 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.68 3pcb s ALA 96 CO -0.03 -0.60 0.45 0.95 0.00 0.00 0.00 175.76 176.54 3pcb s THR 97 N -3.40 5.02 0.36 0.00 -4.23 -1.04 -4.34 115.64 108.01 3pcb s THR 97 Ca 0.00 0.94 -0.27 0.00 -1.18 0.00 0.00 61.69 61.18 3pcb s THR 97 Cb 0.01 -3.77 -0.12 0.00 1.34 0.00 0.00 72.50 69.96 3pcb s THR 97 CO -0.09 0.50 1.29 0.35 -0.54 0.00 0.00 174.62 176.13 3pcb n THR 98 N 2.34 2.12 0.30 3.99 -2.24 -1.22 -4.47 114.28 115.10 3pcb n THR 98 Ca -0.11 -0.50 0.17 0.00 -2.27 0.00 0.00 64.05 61.34 3pcb n THR 98 Cb 0.52 -1.58 0.76 0.00 -2.10 0.00 0.00 70.33 67.93 3pcb n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3pcb h PHE 99 N 2.45 0.00 0.00 4.78 0.04 -1.94 -1.69 116.94 120.57 3pcb h PHE 99 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 3pcb h PHE 99 Cb 1.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.43 3pcb h PHE 99 CO 0.50 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.81 3pcb n ASP 100 N -2.92 0.00 -0.23 2.17 5.75 -1.26 -4.73 116.55 115.34 3pcb n ASP 100 Ca -0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.73 3pcb n ASP 100 Cb 0.23 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.43 3pcb n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcb h ALA 101 N -2.00 1.09 -1.67 2.12 0.00 -1.98 -3.47 119.26 113.35 3pcb h ALA 101 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 3pcb h ALA 101 Cb 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.54 3pcb h ALA 101 CO 0.00 0.63 -0.17 0.41 0.00 0.00 0.00 179.25 180.12 3pcb n GLY 102 N -0.84 0.37 3.31 0.00 0.00 -0.64 -4.91 105.19 102.49 3pcb n GLY 102 Ca 0.06 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 3pcb n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcb s GLU 103 N -4.90 2.02 0.16 1.61 2.12 -1.26 -4.45 118.70 114.01 3pcb s GLU 103 Ca 0.09 -0.94 0.06 0.00 0.36 0.00 0.00 54.97 54.54 3pcb s GLU 103 Cb -0.04 -1.99 -0.04 0.00 0.26 0.00 0.00 34.13 32.32 3pcb s GLU 103 CO 0.11 0.54 0.07 1.67 -0.54 0.00 0.00 175.26 177.11 3pcb s TRP 104 N -0.63 3.00 0.02 5.30 1.48 -0.03 -3.41 118.94 124.69 3pcb s TRP 104 Ca 0.10 -0.07 -0.01 0.00 -1.06 0.00 0.00 56.10 55.06 3pcb s TRP 104 Cb -0.10 -1.45 -0.02 0.00 -1.16 0.00 0.00 33.47 30.74 3pcb s TRP 104 CO -0.01 0.52 -0.01 0.95 -4.06 0.00 0.00 176.95 174.34 3pcb s THR 105 N -1.72 0.12 -0.01 0.66 -4.23 -1.26 -1.71 115.64 107.50 3pcb s THR 105 Ca 0.29 -1.03 -0.03 0.00 -1.18 0.00 0.00 61.69 59.75 3pcb s THR 105 Cb -0.10 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.28 3pcb s THR 105 CO 0.21 -0.56 0.06 -0.22 -0.54 0.00 0.00 174.62 173.57 3pcb s LEU 106 N -1.68 1.79 -0.26 4.79 2.96 0.15 -4.86 118.68 121.57 3pcb s LEU 106 Ca -0.12 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 3pcb s LEU 106 Cb -0.07 0.28 0.03 0.00 0.50 0.00 0.00 46.19 46.93 3pcb s LEU 106 CO -0.02 -0.12 -0.05 -1.00 -1.32 0.00 0.00 176.35 173.84 3pcb s HIS 107 N -0.41 3.09 0.00 5.38 3.76 -0.10 -1.25 115.29 125.76 3pcb s HIS 107 Ca -0.05 -1.57 0.00 0.00 -0.15 0.00 0.00 55.06 53.30 3pcb s HIS 107 Cb -0.03 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.59 3pcb s HIS 107 CO 0.00 -0.73 0.00 -2.37 -0.85 0.00 0.00 174.74 170.79 3pcb n THR 108 N 4.67 0.00 -4.32 1.30 5.66 -1.01 -0.79 114.28 119.79 3pcb n THR 108 Ca -0.16 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.65 3pcb n THR 108 Cb 0.47 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.14 3pcb n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pcb s VAL 109 N -2.40 1.67 0.00 1.08 -7.23 -1.26 -0.87 120.40 111.39 3pcb s VAL 109 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 3pcb s VAL 109 Cb 0.00 -1.86 -0.06 0.00 0.56 0.00 0.00 36.38 35.02 3pcb s VAL 109 CO 0.00 -0.46 1.49 -0.75 -0.31 0.00 0.00 175.10 175.07 3pcb s LYS 110 N -3.15 4.25 0.35 4.82 2.20 -0.78 -4.89 119.74 122.54 3pcb s LYS 110 Ca 0.17 2.07 -0.28 0.00 -0.36 0.00 0.00 55.97 57.57 3pcb s LYS 110 Cb -0.03 -3.65 -0.10 0.00 -1.51 0.00 0.00 37.83 32.54 3pcb s LYS 110 CO 0.06 -0.66 1.26 -1.25 -0.36 0.00 0.00 175.35 174.40 3pcb s PRO 111 N 2.74 4.28 1.03 4.03 0.04 -1.26 -4.04 135.00 141.82 3pcb s PRO 111 Ca 0.67 2.09 -0.14 0.00 0.04 0.00 0.00 61.00 63.66 3pcb s PRO 111 Cb -0.33 -2.97 0.20 0.00 0.04 0.00 0.00 34.50 31.44 3pcb s PRO 111 CO 0.28 -0.20 1.12 0.20 0.04 0.00 0.00 177.00 178.43 3pcb s GLY 112 N -0.68 1.58 0.22 0.56 0.00 -0.18 -4.64 107.32 104.18 3pcb s GLY 112 Ca 0.51 -0.60 -0.30 0.00 0.00 0.00 0.00 44.72 44.33 3pcb s GLY 112 CO 0.48 0.08 0.93 0.14 0.00 0.00 0.00 173.10 174.73 3pcb s VAL 113 N -3.10 4.15 0.07 1.40 1.01 -1.26 -4.36 120.40 118.30 3pcb s VAL 113 Ca 0.67 2.05 0.05 0.00 0.00 0.00 0.00 61.98 64.75 3pcb s VAL 113 Cb -0.15 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 3pcb s VAL 113 CO 0.56 0.48 -0.15 0.68 0.00 0.00 0.00 175.10 176.67 3pcb s VAL 114 N -1.04 1.18 0.21 2.92 -7.23 -1.26 -4.42 120.40 110.76 3pcb s VAL 114 Ca 0.41 -1.28 -0.06 0.00 -1.81 0.00 0.00 61.98 59.24 3pcb s VAL 114 Cb -0.25 -1.12 -0.06 0.00 0.56 0.00 0.00 36.38 35.51 3pcb s VAL 114 CO 0.31 -0.17 0.47 0.20 -0.31 0.00 0.00 175.10 175.61 3pcb s ASN 115 N -1.66 6.51 0.82 4.85 0.01 -1.26 0.11 114.94 124.32 3pcb s ASN 115 Ca -0.00 0.71 -0.11 0.00 -0.71 0.00 0.00 52.86 52.75 3pcb s ASN 115 Cb -0.10 -2.14 0.11 0.00 0.41 0.00 0.00 41.25 39.54 3pcb s ASN 115 CO 0.02 -0.05 1.16 0.54 -1.51 0.00 0.00 177.10 177.26 3pcb s ASN 116 N -2.63 4.16 0.26 -1.22 4.22 0.19 -4.87 114.94 115.05 3pcb s ASN 116 Ca 0.43 0.42 -0.02 0.00 -2.14 0.00 0.00 52.86 51.55 3pcb s ASN 116 Cb -0.11 -0.81 0.55 0.00 1.28 0.00 0.00 41.25 42.16 3pcb s ASN 116 CO 0.25 -2.06 1.67 0.00 -2.04 0.00 0.00 177.10 174.92 3pcb h ALA 117 N -1.05 1.08 0.00 3.54 0.00 -1.99 0.56 119.26 121.40 3pcb h ALA 117 Ca -0.44 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3pcb h ALA 117 Cb 1.29 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3pcb h ALA 117 CO 0.53 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.41 3pcb n ALA 118 N -2.68 2.34 -0.67 0.00 0.00 -1.26 -4.87 120.51 113.39 3pcb n ALA 118 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3pcb n ALA 118 Cb 0.54 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3pcb n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcb n GLY 119 N 0.42 0.73 3.77 0.00 0.00 0.19 -5.05 105.19 105.24 3pcb n GLY 119 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3pcb n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcb s VAL 120 N -2.49 5.01 0.25 1.61 1.01 -1.25 -4.75 120.40 119.77 3pcb s VAL 120 Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.77 3pcb s VAL 120 Cb 0.00 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 3pcb s VAL 120 CO 0.00 0.42 1.19 -2.84 0.00 0.00 0.00 175.10 173.88 3pcb s PRO 121 N -0.14 4.51 0.04 2.72 0.02 -1.26 0.57 135.00 141.46 3pcb s PRO 121 Ca 0.28 1.93 -0.01 0.00 0.02 0.00 0.00 61.00 63.22 3pcb s PRO 121 Cb -0.17 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 3pcb s PRO 121 CO 0.15 -0.01 0.20 -1.64 -0.33 0.00 0.00 177.00 175.36 3pcb s MET 122 N -0.95 3.43 0.66 5.54 -1.94 0.12 -4.47 119.30 121.69 3pcb s MET 122 Ca 0.49 -0.41 -0.16 0.00 -1.71 0.00 0.00 55.69 53.91 3pcb s MET 122 Cb -0.34 -3.05 0.00 0.00 2.01 0.00 0.00 34.83 33.45 3pcb s MET 122 CO 0.41 0.63 1.15 0.00 -0.01 0.00 0.00 175.02 177.21 3pcb s ALA 123 N -1.45 2.38 0.19 3.03 0.00 -1.26 -4.02 121.76 120.64 3pcb s ALA 123 Ca 0.32 0.73 -0.32 0.00 0.00 0.00 0.00 51.96 52.70 3pcb s ALA 123 Cb -0.13 -3.39 -0.16 0.00 0.00 0.00 0.00 23.12 19.45 3pcb s ALA 123 CO 0.25 -1.41 1.07 -2.30 0.00 0.00 0.00 175.76 173.37 3pcb n PRO 124 N -2.32 1.06 -3.44 0.00 -0.02 -1.26 -4.88 135.00 124.15 3pcb n PRO 124 Ca 0.12 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.86 3pcb n PRO 124 Cb 0.51 -1.81 -0.02 0.00 -0.02 0.00 0.00 33.50 32.16 3pcb n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pcb s HIS 125 N -0.43 -0.50 -0.11 6.00 -3.43 -1.26 -4.43 115.29 111.13 3pcb s HIS 125 Ca 0.70 0.31 0.03 0.00 -0.80 0.00 0.00 55.06 55.29 3pcb s HIS 125 Cb -0.84 0.56 0.01 0.00 -1.43 0.00 0.00 32.58 30.87 3pcb s HIS 125 CO 0.54 -0.79 -0.19 0.42 -2.00 0.00 0.00 174.74 172.73 3pcb s ILE 126 N -3.62 1.73 -0.09 -5.38 1.01 -0.81 -4.58 121.20 109.46 3pcb s ILE 126 Ca 0.02 -0.80 -0.24 0.00 0.00 0.00 0.00 60.65 59.63 3pcb s ILE 126 Cb -0.01 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 3pcb s ILE 126 CO -0.12 0.49 0.72 0.20 0.00 0.00 0.00 174.94 176.23 3pcb s ASN 127 N 0.73 6.97 0.01 3.58 0.01 -0.28 -0.44 114.94 125.52 3pcb s ASN 127 Ca -0.11 1.17 0.08 0.00 -0.71 0.00 0.00 52.86 53.29 3pcb s ASN 127 Cb -0.16 -2.42 -0.02 0.00 0.41 0.00 0.00 41.25 39.06 3pcb s ASN 127 CO 0.02 -0.18 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.57 3pcb s ILE 128 N 1.10 1.84 -0.13 0.60 1.01 -0.22 -1.57 121.20 123.84 3pcb s ILE 128 Ca 0.37 -1.13 0.00 0.00 0.00 0.00 0.00 60.65 59.89 3pcb s ILE 128 Cb -0.17 -1.56 0.02 0.00 0.01 0.00 0.00 42.46 40.76 3pcb s ILE 128 CO 0.17 0.39 -0.11 -0.44 0.00 0.00 0.00 174.94 174.95 3pcb s SER 129 N -0.88 2.41 -0.17 3.58 0.01 -0.43 -0.45 113.70 117.76 3pcb s SER 129 Ca 0.09 -0.39 -0.06 0.00 1.31 0.00 0.00 55.95 56.90 3pcb s SER 129 Cb -0.09 -1.01 -0.04 0.00 0.21 0.00 0.00 66.02 65.09 3pcb s SER 129 CO 0.01 -0.08 0.03 -0.22 0.41 0.00 0.00 173.24 173.39 3pcb s LEU 130 N 1.53 3.64 0.05 2.44 2.96 0.95 -1.08 118.68 129.17 3pcb s LEU 130 Ca 0.04 0.02 0.05 0.00 -0.22 0.00 0.00 54.13 54.01 3pcb s LEU 130 Cb -0.13 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 3pcb s LEU 130 CO -0.09 0.17 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.62 3pcb s PHE 131 N 0.35 1.19 0.00 5.38 0.40 0.13 -1.77 117.98 123.66 3pcb s PHE 131 Ca 0.01 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 3pcb s PHE 131 Cb -0.13 -0.69 0.00 0.00 0.51 0.00 0.00 43.02 42.71 3pcb s PHE 131 CO 0.01 0.04 0.00 0.00 0.70 0.00 0.00 175.22 175.97 3pcb n ALA 132 N 1.60 0.00 -1.74 5.36 0.00 -1.26 -0.16 120.51 124.31 3pcb n ALA 132 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 3pcb n ALA 132 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 3pcb n ALA 132 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3pcb n ARG 133 N -0.20 2.55 0.00 0.00 1.85 -1.24 -0.99 116.66 118.62 3pcb n ARG 133 Ca 0.00 0.90 0.00 0.00 -1.00 0.00 0.00 57.85 57.75 3pcb n ARG 133 Cb 0.00 -2.63 0.00 0.00 -1.05 0.00 0.00 32.46 28.78 3pcb n ARG 133 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3pcb n GLY 134 N 1.57 2.19 3.29 2.89 0.00 -1.26 -4.95 105.19 108.92 3pcb n GLY 134 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3pcb n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pcb s ILE 135 N -2.41 4.06 0.14 -0.61 1.01 -0.16 -4.98 121.20 118.26 3pcb s ILE 135 Ca 0.00 -1.14 -0.13 0.00 0.00 0.00 0.00 60.65 59.39 3pcb s ILE 135 Cb 0.00 -3.34 0.01 0.00 0.01 0.00 0.00 42.46 39.14 3pcb s ILE 135 CO 0.00 -0.27 1.59 0.78 0.00 0.00 0.00 174.94 177.04 3pcb h ASN 136 N 8.31 0.83 -3.64 3.58 2.35 -1.91 -3.33 115.58 121.77 3pcb h ASN 136 Ca -0.23 -0.32 -0.40 0.00 -0.55 0.00 0.00 56.30 54.80 3pcb h ASN 136 Cb 1.09 -0.22 -0.32 0.00 0.05 0.00 0.00 38.32 38.91 3pcb h ASN 136 CO 0.65 0.94 -0.77 -0.51 -1.65 0.00 0.00 177.43 176.09 3pcb s ILE 137 N -4.98 0.59 0.63 2.81 2.07 -1.26 -3.01 121.20 118.05 3pcb s ILE 137 Ca -0.12 -0.21 -0.18 0.00 -1.41 0.00 0.00 60.65 58.72 3pcb s ILE 137 Cb 0.11 -0.57 -0.03 0.00 0.13 0.00 0.00 42.46 42.10 3pcb s ILE 137 CO 0.82 0.21 1.06 0.00 -1.91 0.00 0.00 174.94 175.12 3pcb n HIS 138 N 3.63 1.13 -3.74 3.50 1.44 -1.26 -5.00 115.22 114.92 3pcb n HIS 138 Ca -0.21 0.43 -0.36 0.00 -2.01 0.00 0.00 57.72 55.57 3pcb n HIS 138 Cb 0.53 -2.17 -0.07 0.00 0.12 0.00 0.00 29.99 28.39 3pcb n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3pcb s LEU 139 N -2.80 4.26 -0.22 2.39 1.43 -0.73 -4.91 118.68 118.10 3pcb s LEU 139 Ca 0.79 0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 54.12 3pcb s LEU 139 Cb -0.40 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 3pcb s LEU 139 CO 0.44 0.22 0.11 -1.00 0.23 0.00 0.00 176.35 176.36 3pcb s HIS 140 N 0.05 3.25 0.33 0.29 3.76 -1.26 -0.04 115.29 121.67 3pcb s HIS 140 Ca 0.11 0.05 0.06 0.00 -0.15 0.00 0.00 55.06 55.13 3pcb s HIS 140 Cb -0.11 -2.20 -0.03 0.00 1.11 0.00 0.00 32.58 31.34 3pcb s HIS 140 CO 0.00 0.01 0.25 -0.08 -0.85 0.00 0.00 174.74 174.07 3pcb s THR 141 N 0.95 0.06 -0.00 1.30 -1.32 0.40 -0.26 115.64 116.77 3pcb s THR 141 Ca 0.06 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.55 3pcb s THR 141 Cb -0.14 -2.48 -0.00 0.00 -1.51 0.00 0.00 72.50 68.37 3pcb s THR 141 CO 0.03 0.00 -0.04 -0.13 -2.21 0.00 0.00 174.62 172.27 3pcb s ARG 142 N -3.53 0.37 -0.23 7.08 0.52 -1.26 -1.05 118.95 120.84 3pcb s ARG 142 Ca 0.39 -0.16 -0.06 0.00 -0.52 0.00 0.00 55.73 55.38 3pcb s ARG 142 Cb 0.03 -0.36 -0.02 0.00 0.52 0.00 0.00 34.95 35.11 3pcb s ARG 142 CO 0.25 0.09 0.03 -1.17 0.02 0.00 0.00 175.30 174.52 3pcb s LEU 143 N -0.07 3.25 0.34 2.53 0.20 0.41 -4.76 118.68 120.58 3pcb s LEU 143 Ca 0.01 -0.26 0.08 0.00 0.69 0.00 0.00 54.13 54.65 3pcb s LEU 143 Cb -0.02 -1.85 -0.04 0.00 -0.43 0.00 0.00 46.19 43.84 3pcb s LEU 143 CO -0.00 -0.02 0.13 -0.31 -0.29 0.00 0.00 176.35 175.86 3pcb s TYR 144 N 1.49 2.71 -0.04 5.38 1.51 0.06 -1.93 117.35 126.53 3pcb s TYR 144 Ca 0.06 -0.37 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 3pcb s TYR 144 Cb -0.15 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.06 3pcb s TYR 144 CO 0.01 0.36 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.64 3pcb s PHE 145 N -2.42 2.79 0.34 2.71 0.40 -1.26 0.11 117.98 120.65 3pcb s PHE 145 Ca 0.37 -0.09 0.20 0.00 -0.60 0.00 0.00 56.93 56.81 3pcb s PHE 145 Cb -0.03 -1.64 1.03 0.00 0.51 0.00 0.00 43.02 42.89 3pcb s PHE 145 CO 0.22 0.26 1.92 0.38 0.70 0.00 0.00 175.22 178.70 3pcb h ASP 146 N 5.16 0.00 -0.11 1.36 2.03 -1.44 -2.93 116.42 120.49 3pcb h ASP 146 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 3pcb h ASP 146 Cb 1.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 3pcb h ASP 146 CO 0.51 0.25 0.00 -0.90 -1.03 0.00 0.00 179.24 178.07 3pcb n ASP 147 N -3.80 1.18 -0.76 4.15 5.75 -1.26 -3.50 116.55 118.31 3pcb n ASP 147 Ca -0.01 -2.07 0.06 0.00 -0.01 0.00 0.00 54.79 52.75 3pcb n ASP 147 Cb 0.35 -0.29 0.14 0.00 -1.03 0.00 0.00 41.12 40.29 3pcb n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3pcb n GLU 148 N -0.03 1.06 -0.33 0.11 -0.58 -1.10 -4.89 120.64 114.89 3pcb n GLU 148 Ca 0.04 -2.76 0.25 0.00 -0.42 0.00 0.00 57.16 54.27 3pcb n GLU 148 Cb 0.24 -1.14 0.49 0.00 -0.57 0.00 0.00 31.44 30.47 3pcb n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pcb h ALA 149 N 0.82 1.92 -0.07 0.62 0.00 -1.75 0.11 119.26 120.91 3pcb h ALA 149 Ca -0.06 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3pcb h ALA 149 Cb 1.25 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 3pcb h ALA 149 CO 0.03 -0.72 0.00 1.96 0.00 0.00 0.00 179.25 180.52 3pcb h GLN 150 N 0.16 0.12 -0.22 0.00 4.20 -1.93 -1.66 115.11 115.79 3pcb h GLN 150 Ca 0.75 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.41 3pcb h GLN 150 Cb 1.82 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.58 3pcb h GLN 150 CO -0.70 0.37 0.08 0.00 -0.67 0.00 0.00 178.83 177.91 3pcb h ALA 151 N 0.74 0.28 -1.00 3.87 0.00 -1.62 -3.02 119.26 118.51 3pcb h ALA 151 Ca 0.02 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 54.96 3pcb h ALA 151 Cb 0.32 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 3pcb h ALA 151 CO 0.00 -0.11 0.61 -0.91 0.00 0.00 0.00 179.25 178.85 3pcb h ASN 152 N 0.19 0.84 0.54 0.00 2.35 -0.83 -0.20 115.58 118.46 3pcb h ASN 152 Ca 0.07 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 3pcb h ASN 152 Cb 0.21 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 3pcb h ASN 152 CO -0.00 0.37 -0.12 0.00 -1.65 0.00 0.00 177.43 176.02 3pcb h ALA 153 N 1.59 1.17 -0.32 -0.83 0.00 -1.17 -2.88 119.26 116.82 3pcb h ALA 153 Ca 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3pcb h ALA 153 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3pcb h ALA 153 CO -0.33 0.16 0.00 1.63 0.00 0.00 0.00 179.25 180.70 3pcb n LYS 154 N -3.49 2.22 -2.08 0.00 4.76 -0.14 -4.95 118.16 114.50 3pcb n LYS 154 Ca -0.01 -1.99 -0.42 0.00 -2.87 0.00 0.00 58.31 53.01 3pcb n LYS 154 Cb 0.28 -1.37 -0.03 0.00 -1.84 0.00 0.00 35.03 32.07 3pcb n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3pcb h PRO 156 N 9.07 0.00 0.03 0.00 0.13 -1.92 0.59 132.00 139.91 3pcb h PRO 156 Ca -0.38 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3pcb h PRO 156 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3pcb h PRO 156 CO 0.95 0.11 -0.01 0.28 -0.23 0.00 0.00 178.00 179.09 3pcb h VAL 157 N 0.00 0.98 -0.90 1.56 2.07 -1.94 -3.16 116.25 114.86 3pcb h VAL 157 Ca -0.00 -1.65 0.17 0.00 0.82 0.00 0.00 66.70 66.04 3pcb h VAL 157 Cb 0.27 1.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.80 3pcb h VAL 157 CO 0.01 0.32 0.58 0.25 0.02 0.00 0.00 177.57 178.76 3pcb h LEU 158 N -0.97 0.57 -1.42 2.57 5.85 -1.84 -1.26 115.31 118.80 3pcb h LEU 158 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3pcb h LEU 158 Cb 0.56 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3pcb h LEU 158 CO 0.01 0.26 0.00 0.78 -0.34 0.00 0.00 178.44 179.14 3pcb h ASN 159 N 0.58 0.00 1.51 1.25 2.35 -0.95 -2.64 115.58 117.69 3pcb h ASN 159 Ca 0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.21 3pcb h ASN 159 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 3pcb h ASN 159 CO -0.21 0.00 0.00 -0.07 -1.65 0.00 0.00 177.43 175.50 3pcb h LEU 160 N 0.00 0.00 -8.61 1.61 3.38 -1.19 -3.41 115.31 107.09 3pcb h LEU 160 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3pcb h LEU 160 Cb 0.45 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 3pcb h LEU 160 CO 0.00 0.00 1.04 -0.63 0.09 0.00 0.00 178.44 178.94 3pcb s ILE 161 N -3.39 3.90 0.15 1.22 1.01 -1.00 -4.92 121.20 118.18 3pcb s ILE 161 Ca 0.05 0.81 -0.31 0.00 0.00 0.00 0.00 60.65 61.20 3pcb s ILE 161 Cb 0.07 -4.53 -0.07 0.00 0.01 0.00 0.00 42.46 37.94 3pcb s ILE 161 CO 0.60 -1.19 1.54 -0.33 0.00 0.00 0.00 174.94 175.57 3pcb h GLU 162 N 10.37 -0.12 -5.85 2.79 5.08 -1.88 -3.39 114.58 121.59 3pcb h GLU 162 Ca -0.26 0.01 -0.61 0.00 -1.00 0.00 0.00 59.36 57.50 3pcb h GLU 162 Cb 1.08 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.25 3pcb h GLU 162 CO 1.17 -0.08 0.43 -0.65 -1.00 0.00 0.00 179.01 178.88 3pcb s GLN 163 N -5.56 3.82 0.27 2.33 -1.52 -1.26 -4.96 119.66 112.78 3pcb s GLN 163 Ca -0.13 0.44 0.00 0.00 -1.95 0.00 0.00 55.36 53.72 3pcb s GLN 163 Cb 0.11 -3.79 0.62 0.00 -0.22 0.00 0.00 33.01 29.73 3pcb s GLN 163 CO 0.62 -0.83 1.69 -1.35 -0.25 0.00 0.00 175.29 175.18 3pcb h PRO 164 N 8.38 0.35 -0.53 2.91 0.11 -1.98 0.78 132.00 142.03 3pcb h PRO 164 Ca -0.24 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.97 3pcb h PRO 164 Cb 1.09 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 3pcb h PRO 164 CO 0.92 0.23 0.37 1.96 -0.21 0.00 0.00 178.00 181.27 3pcb h GLN 165 N 0.36 0.15 0.00 1.05 7.50 -1.95 -2.20 115.11 120.03 3pcb h GLN 165 Ca 0.50 -0.01 -0.12 0.00 0.50 0.00 0.00 58.65 59.52 3pcb h GLN 165 Cb 0.91 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.38 3pcb h GLN 165 CO -0.52 0.10 -0.57 0.00 -1.50 0.00 0.00 178.83 176.34 3pcb h ARG 166 N 0.16 0.00 -0.70 1.46 3.08 -1.23 -3.20 114.38 113.95 3pcb h ARG 166 Ca 0.25 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 3pcb h ARG 166 Cb 0.78 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 3pcb h ARG 166 CO -0.04 0.57 0.27 0.00 -1.07 0.00 0.00 179.97 179.70 3pcb h ARG 167 N 0.00 1.05 -0.90 0.04 3.08 -1.39 -1.90 114.38 114.35 3pcb h ARG 167 Ca -0.01 -0.19 0.15 0.00 0.07 0.00 0.00 59.98 60.01 3pcb h ARG 167 Cb 1.22 -0.17 -0.07 0.00 0.08 0.00 0.00 29.97 31.02 3pcb h ARG 167 CO 0.07 0.86 0.58 0.93 -1.07 0.00 0.00 179.97 181.35 3pcb h GLU 168 N 1.02 0.64 -0.08 0.04 5.08 -1.55 -1.02 114.58 118.72 3pcb h GLU 168 Ca 0.24 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3pcb h GLU 168 Cb 0.22 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3pcb h GLU 168 CO -0.02 0.42 0.29 1.79 -1.00 0.00 0.00 179.01 180.50 3pcb h THR 169 N 0.66 0.10 -0.02 1.13 1.35 -1.50 -1.27 112.91 113.36 3pcb h THR 169 Ca 0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.32 3pcb h THR 169 Cb 0.79 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3pcb h THR 169 CO -0.21 0.00 -0.17 0.18 -0.25 0.00 0.00 175.52 175.06 3pcb n LEU 170 N -3.12 1.99 -4.64 3.87 4.77 -0.39 -4.79 117.00 114.69 3pcb n LEU 170 Ca -0.00 -0.67 -0.38 0.00 -0.03 0.00 0.00 56.01 54.93 3pcb n LEU 170 Cb 0.37 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 3pcb n LEU 170 CO 0.18 0.35 -0.04 -0.63 -1.33 0.00 0.00 177.39 175.91 3pcb s ILE 171 N -2.22 5.27 0.28 -0.08 1.01 -0.48 -0.76 121.20 124.21 3pcb s ILE 171 Ca 0.27 0.41 -0.26 0.00 0.00 0.00 0.00 60.65 61.07 3pcb s ILE 171 Cb 0.20 -3.61 -0.09 0.00 0.01 0.00 0.00 42.46 38.96 3pcb s ILE 171 CO 0.42 0.26 0.91 0.00 0.00 0.00 0.00 174.94 176.53 3pcb s ALA 172 N 1.47 3.28 -0.30 9.38 0.00 0.31 -4.84 121.76 131.05 3pcb s ALA 172 Ca 0.12 0.50 -0.16 0.00 0.00 0.00 0.00 51.96 52.43 3pcb s ALA 172 Cb -0.15 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 3pcb s ALA 172 CO 0.08 0.21 0.39 0.15 0.00 0.00 0.00 175.76 176.59 3pcb s LYS 173 N -1.75 3.82 0.14 0.00 1.02 -0.38 -1.11 119.74 121.49 3pcb s LYS 173 Ca 0.46 -0.12 -0.31 0.00 0.02 0.00 0.00 55.97 56.02 3pcb s LYS 173 Cb -0.21 -3.72 -0.09 0.00 -0.52 0.00 0.00 37.83 33.29 3pcb s LYS 173 CO 0.26 -0.41 1.43 0.50 -0.92 0.00 0.00 175.35 176.21 3pcb s ARG 174 N 2.11 4.30 0.00 1.68 3.52 -1.26 -0.39 118.95 128.91 3pcb s ARG 174 Ca 0.15 2.16 0.00 0.00 -0.13 0.00 0.00 55.73 57.90 3pcb s ARG 174 Cb -0.16 -3.21 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 3pcb s ARG 174 CO 0.11 -0.46 0.00 0.00 -0.81 0.00 0.00 175.30 174.14 3pcb s GLU 176 N 0.37 0.24 -0.13 0.00 2.56 -1.26 -1.84 118.70 118.64 3pcb s GLU 176 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 54.97 55.32 3pcb s GLU 176 Cb 0.00 0.05 0.04 0.00 2.00 0.00 0.00 34.13 36.22 3pcb s GLU 176 CO 0.00 -0.07 -0.01 0.08 -0.56 0.00 0.00 175.26 174.70 3pcb s VAL 177 N 0.44 0.64 -1.29 3.70 1.01 0.24 -4.76 120.40 120.37 3pcb s VAL 177 Ca -0.03 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 3pcb s VAL 177 Cb -0.04 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 3pcb s VAL 177 CO -0.02 0.11 0.62 0.47 0.00 0.00 0.00 175.10 176.28 3pcb n ASP 178 N 5.04 -2.00 -1.66 3.32 8.00 -1.26 0.26 116.55 128.25 3pcb n ASP 178 Ca -0.09 -0.93 -0.15 0.00 0.71 0.00 0.00 54.79 54.33 3pcb n ASP 178 Cb 0.49 -3.56 -0.05 0.00 -0.02 0.00 0.00 41.12 37.98 3pcb n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pcb n GLY 179 N -1.74 0.99 3.64 0.44 0.00 -1.26 -4.95 105.19 102.31 3pcb n GLY 179 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 3pcb n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcb s LYS 180 N -3.66 3.06 0.06 1.61 2.47 0.14 -5.06 119.74 118.35 3pcb s LYS 180 Ca 0.00 -0.45 -0.31 0.00 -1.56 0.00 0.00 55.97 53.65 3pcb s LYS 180 Cb 0.00 -2.78 -0.08 0.00 -1.46 0.00 0.00 37.83 33.51 3pcb s LYS 180 CO 0.00 0.62 1.65 0.99 0.16 0.00 0.00 175.35 178.77 3pcb s THR 181 N -0.66 3.07 0.11 3.43 2.01 -1.26 0.82 115.64 123.15 3pcb s THR 181 Ca 0.10 0.50 0.04 0.00 0.31 0.00 0.00 61.69 62.64 3pcb s THR 181 Cb -0.12 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 3pcb s THR 181 CO 0.02 -0.00 -0.10 0.00 -0.69 0.00 0.00 174.62 173.85 3pcb s ALA 182 N 2.69 1.20 -0.03 7.40 0.00 -0.77 -1.07 121.76 131.18 3pcb s ALA 182 Ca 0.74 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 51.41 3pcb s ALA 182 Cb -0.39 0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.79 3pcb s ALA 182 CO 0.32 -0.08 -0.03 0.71 0.00 0.00 0.00 175.76 176.69 3pcb s TYR 183 N -2.84 0.53 -0.16 0.00 1.51 -0.35 0.54 117.35 116.57 3pcb s TYR 183 Ca 0.10 -0.10 -0.07 0.00 -1.01 0.00 0.00 57.07 55.98 3pcb s TYR 183 Cb -0.00 -0.51 -0.04 0.00 -0.11 0.00 0.00 41.96 41.30 3pcb s TYR 183 CO -0.00 -0.14 0.07 0.50 -1.11 0.00 0.00 175.55 174.87 3pcb s ARG 184 N 0.82 3.80 -0.26 -0.62 3.52 0.48 -2.35 118.95 124.34 3pcb s ARG 184 Ca -0.10 -0.31 -0.04 0.00 -0.13 0.00 0.00 55.73 55.16 3pcb s ARG 184 Cb -0.13 -3.18 0.09 0.00 -1.56 0.00 0.00 34.95 30.17 3pcb s ARG 184 CO -0.01 0.40 0.11 0.12 -0.81 0.00 0.00 175.30 175.12 3pcb s PHE 185 N 0.01 0.56 0.07 5.12 5.36 -0.24 -1.25 117.98 127.61 3pcb s PHE 185 Ca 0.06 -0.87 -0.08 0.00 -0.96 0.00 0.00 56.93 55.08 3pcb s PHE 185 Cb -0.12 -0.98 -0.05 0.00 -0.34 0.00 0.00 43.02 41.52 3pcb s PHE 185 CO 0.01 -0.74 0.37 -0.51 -1.46 0.00 0.00 175.22 172.88 3pcb s ASP 186 N 2.02 6.59 -0.11 6.13 1.01 -1.26 -4.00 116.67 127.04 3pcb s ASP 186 Ca 0.07 0.71 0.02 0.00 0.71 0.00 0.00 52.55 54.05 3pcb s ASP 186 Cb -0.16 -2.15 -0.01 0.00 1.01 0.00 0.00 42.92 41.61 3pcb s ASP 186 CO -0.26 0.17 -0.18 -0.63 0.21 0.00 0.00 175.17 174.49 3pcb s ILE 187 N -1.41 2.65 -0.30 0.77 1.01 -0.04 -4.97 121.20 118.91 3pcb s ILE 187 Ca 0.33 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.19 3pcb s ILE 187 Cb -0.14 -2.07 0.09 0.00 0.01 0.00 0.00 42.46 40.35 3pcb s ILE 187 CO 0.18 0.54 0.01 -0.13 0.00 0.00 0.00 174.94 175.55 3pcb s ARG 188 N 0.29 1.50 0.29 2.79 0.52 -1.26 -0.02 118.95 123.06 3pcb s ARG 188 Ca -0.13 -1.47 0.02 0.00 -0.52 0.00 0.00 55.73 53.62 3pcb s ARG 188 Cb -0.16 -2.82 0.45 0.00 0.52 0.00 0.00 34.95 32.94 3pcb s ARG 188 CO 0.07 -0.82 1.79 0.82 0.02 0.00 0.00 175.30 177.18 3pcb h ILE 189 N 6.63 1.23 -3.52 1.52 2.04 -1.65 0.18 117.51 123.95 3pcb h ILE 189 Ca -0.11 -1.00 -0.13 0.00 1.00 0.00 0.00 64.86 64.63 3pcb h ILE 189 Cb 1.03 1.04 -0.19 0.00 -0.74 0.00 0.00 36.82 37.96 3pcb h ILE 189 CO 0.48 0.34 -0.43 -1.58 0.00 0.00 0.00 178.15 176.95 3pcb s GLN 190 N -4.84 0.60 1.93 2.37 0.74 -1.26 -4.79 119.66 114.42 3pcb s GLN 190 Ca -0.08 -0.52 0.00 0.00 0.05 0.00 0.00 55.36 54.81 3pcb s GLN 190 Cb 0.15 0.25 0.00 0.00 1.10 0.00 0.00 33.01 34.51 3pcb s GLN 190 CO 0.79 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.78 3pcb n GLY 191 N 1.03 -0.94 3.68 2.59 0.00 -1.26 -4.29 105.19 106.00 3pcb n GLY 191 Ca -0.21 -1.37 -0.49 0.00 0.00 0.00 0.00 46.02 43.95 3pcb n GLY 191 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcb n GLU 192 N 0.00 2.11 -1.75 1.61 2.13 -1.26 -0.07 120.64 123.41 3pcb n GLU 192 Ca 0.00 0.77 -0.07 0.00 0.66 0.00 0.00 57.16 58.52 3pcb n GLU 192 Cb 0.00 -2.60 -0.02 0.00 0.27 0.00 0.00 31.44 29.09 3pcb n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pcb n GLY 193 N 4.32 0.44 3.66 8.31 0.00 -1.26 -4.95 105.19 115.71 3pcb n GLY 193 Ca 0.22 -0.64 -0.47 0.00 0.00 0.00 0.00 46.02 45.14 3pcb n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcb n GLU 194 N -2.16 2.08 -2.18 1.61 2.13 0.90 -4.65 120.64 118.37 3pcb n GLU 194 Ca -0.08 0.75 -0.38 0.00 0.66 0.00 0.00 57.16 58.11 3pcb n GLU 194 Cb 0.43 -2.51 -0.01 0.00 0.27 0.00 0.00 31.44 29.61 3pcb n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pcb s THR 195 N 1.07 2.92 0.17 6.31 2.01 0.64 -4.97 115.64 123.80 3pcb s THR 195 Ca 0.80 0.76 -0.30 0.00 0.31 0.00 0.00 61.69 63.26 3pcb s THR 195 Cb -0.70 -3.42 -0.08 0.00 0.01 0.00 0.00 72.50 68.31 3pcb s THR 195 CO 0.39 0.06 1.17 -0.69 -0.69 0.00 0.00 174.62 174.86 3pcb s VAL 196 N -1.39 3.69 0.01 3.82 1.01 -1.26 -4.93 120.40 121.34 3pcb s VAL 196 Ca 0.59 1.41 0.06 0.00 0.00 0.00 0.00 61.98 64.04 3pcb s VAL 196 Cb -0.33 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 3pcb s VAL 196 CO 0.41 0.22 -0.18 -0.36 0.00 0.00 0.00 175.10 175.19 3pcb s PHE 197 N -0.03 1.62 0.38 5.22 0.08 -1.26 -4.67 117.98 119.32 3pcb s PHE 197 Ca 0.52 -0.33 0.08 0.00 0.12 0.00 0.00 56.93 57.32 3pcb s PHE 197 Cb -0.31 -1.01 -0.03 0.00 -0.57 0.00 0.00 43.02 41.10 3pcb s PHE 197 CO 0.36 0.01 0.32 -0.06 -0.10 0.00 0.00 175.22 175.75 3pcb s PHE 198 N -0.56 2.77 -0.02 0.36 0.08 0.64 -5.00 117.98 116.25 3pcb s PHE 198 Ca 0.06 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.70 3pcb s PHE 198 Cb -0.07 -2.00 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 3pcb s PHE 198 CO 0.00 0.03 -0.02 0.34 -0.10 0.00 0.00 175.22 175.46 3pcb s ASP 199 N -4.06 0.56 0.00 1.36 2.15 -1.26 -4.42 116.67 111.01 3pcb s ASP 199 Ca 0.45 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.36 3pcb s ASP 199 Cb -0.04 -0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.36 3pcb s ASP 199 CO 0.27 -0.04 0.00 2.22 -0.17 0.00 0.00 175.17 177.45