#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 4.67 -0.05 4.25 -1.09 -1.26 -5.06 121.20 122.66 3pcb s ILE 2 Ca 0.00 1.59 0.03 0.00 -2.23 0.00 0.00 60.65 60.05 3pcb s ILE 2 Cb 0.00 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 3pcb s ILE 2 CO 0.00 0.41 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.36 3pcb s GLU 3 N -0.34 1.73 0.73 2.79 0.41 -1.26 -5.14 118.70 117.62 3pcb s GLU 3 Ca 0.37 -0.52 0.01 0.00 -0.41 0.00 0.00 54.97 54.41 3pcb s GLU 3 Cb -0.21 -1.47 0.14 0.00 -1.78 0.00 0.00 34.13 30.81 3pcb s GLU 3 CO 0.23 0.15 1.00 -0.51 -0.49 0.00 0.00 175.26 175.65 3pcb s LEU 4 N 0.28 2.94 0.43 1.80 1.02 -1.26 -5.05 118.68 118.84 3pcb s LEU 4 Ca -0.08 -0.52 -0.25 0.00 0.02 0.00 0.00 54.13 53.29 3pcb s LEU 4 Cb -0.13 -1.73 -0.08 0.00 0.02 0.00 0.00 46.19 44.26 3pcb s LEU 4 CO 0.03 -1.92 1.32 -0.76 0.02 0.00 0.00 176.35 175.04 3pcb s LEU 5 N -5.14 4.16 0.35 1.79 1.43 -1.26 -4.95 118.68 115.05 3pcb s LEU 5 Ca 0.67 2.70 -0.26 0.00 -1.03 0.00 0.00 54.13 56.21 3pcb s LEU 5 Cb -0.04 -3.95 -0.09 0.00 0.03 0.00 0.00 46.19 42.13 3pcb s LEU 5 CO 0.45 -0.97 1.02 -2.16 0.23 0.00 0.00 176.35 174.92 3pcb s PRO 6 N -2.35 4.41 0.57 1.29 0.04 -1.26 -5.01 135.00 132.68 3pcb s PRO 6 Ca 0.59 1.52 -0.18 0.00 0.04 0.00 0.00 61.00 62.97 3pcb s PRO 6 Cb -0.39 -2.78 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 3pcb s PRO 6 CO 0.49 0.08 1.09 -2.00 0.04 0.00 0.00 177.00 176.70 3pcb s GLU 7 N -2.10 3.31 0.15 4.56 2.12 -1.26 -4.95 118.70 120.53 3pcb s GLU 7 Ca 0.52 1.42 -0.31 0.00 0.36 0.00 0.00 54.97 56.95 3pcb s GLU 7 Cb -0.23 -2.02 -0.10 0.00 0.26 0.00 0.00 34.13 32.04 3pcb s GLU 7 CO 0.29 -0.85 1.54 0.99 -0.54 0.00 0.00 175.26 176.70 3pcb s THR 8 N -2.10 2.74 0.41 -1.70 2.01 -1.26 -4.93 115.64 110.82 3pcb s THR 8 Ca 0.68 0.52 -0.26 0.00 0.31 0.00 0.00 61.69 62.95 3pcb s THR 8 Cb -0.20 -3.34 -0.09 0.00 0.01 0.00 0.00 72.50 68.89 3pcb s THR 8 CO 0.31 0.04 1.29 -2.84 -0.69 0.00 0.00 174.62 172.72 3pcb s PRO 9 N 1.20 3.95 0.59 4.92 0.02 -1.26 -5.01 135.00 139.40 3pcb s PRO 9 Ca 0.69 2.11 -0.15 0.00 0.02 0.00 0.00 61.00 63.68 3pcb s PRO 9 Cb -0.42 -2.73 -0.04 0.00 0.02 0.00 0.00 34.50 31.33 3pcb s PRO 9 CO 0.31 -0.49 1.03 0.45 -0.33 0.00 0.00 177.00 177.97 3pcb s SER 10 N -0.80 6.01 0.02 2.53 0.15 -1.26 -5.08 113.70 115.26 3pcb s SER 10 Ca 0.57 1.68 -0.04 0.00 0.70 0.00 0.00 55.95 58.87 3pcb s SER 10 Cb -0.37 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.41 3pcb s SER 10 CO 0.47 -1.01 0.05 -1.10 1.20 0.00 0.00 173.24 172.86 3pcb s GLN 11 N -4.31 0.46 0.60 5.44 -1.52 -1.18 -4.88 119.66 114.28 3pcb s GLN 11 Ca 0.61 -0.63 -0.19 0.00 -1.95 0.00 0.00 55.36 53.20 3pcb s GLN 11 Cb -0.13 0.18 -0.05 0.00 -0.22 0.00 0.00 33.01 32.79 3pcb s GLN 11 CO 0.39 -0.10 1.02 -2.37 -0.25 0.00 0.00 175.29 173.98 3pcb n THR 12 N 1.23 3.80 0.13 -0.19 5.66 -1.21 -4.80 114.28 118.89 3pcb n THR 12 Ca -0.22 -0.50 -0.00 0.00 -3.05 0.00 0.00 64.05 60.28 3pcb n THR 12 Cb 0.56 -1.21 0.27 0.00 -1.55 0.00 0.00 70.33 68.40 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 0.57 1.20 0.00 1.79 0.00 -1.74 -3.49 119.26 117.58 3pcb h ALA 13 Ca -0.49 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.03 3pcb h ALA 13 Cb 1.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3pcb h ALA 13 CO 0.52 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.74 3pcb n GLY 14 N -0.25 -1.17 0.26 0.00 0.00 -1.26 -4.21 105.19 98.56 3pcb n GLY 14 Ca -0.02 -1.62 0.15 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.62 1.61 0.13 -1.93 -3.17 132.00 128.02 3pcb h PRO 15 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 3pcb h PRO 15 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 3pcb h PRO 15 CO 0.00 0.07 0.10 0.66 -0.23 0.00 0.00 178.00 178.60 3pcb n TYR 16 N -3.21 2.15 -0.35 1.56 4.01 -1.26 -4.61 117.16 115.46 3pcb n TYR 16 Ca 0.00 -0.94 0.17 0.00 -0.16 0.00 0.00 57.90 56.97 3pcb n TYR 16 Cb 0.34 -0.57 0.38 0.00 -0.31 0.00 0.00 39.34 39.17 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 3.31 0.58 -0.90 -0.72 3.04 -1.72 -1.92 116.25 117.92 3pcb h VAL 17 Ca 0.11 -0.21 0.24 0.00 -1.01 0.00 0.00 66.70 65.82 3pcb h VAL 17 Cb 2.09 -0.10 -0.13 0.00 -2.01 0.00 0.00 31.29 31.14 3pcb h VAL 17 CO 0.57 0.11 0.35 0.45 -1.01 0.00 0.00 177.57 178.05 3pcb h HIS 18 N 0.62 0.57 -0.58 3.17 3.86 -1.85 0.48 115.15 121.42 3pcb h HIS 18 Ca 0.63 0.04 0.08 0.00 -1.16 0.00 0.00 60.37 59.96 3pcb h HIS 18 Cb 1.16 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.49 3pcb h HIS 18 CO -0.01 -0.12 0.39 -0.84 0.86 0.00 0.00 177.93 178.21 3pcb h ILE 19 N 0.32 0.93 0.09 2.45 3.07 -1.57 0.36 117.51 123.16 3pcb h ILE 19 Ca 0.57 -0.16 -0.35 0.00 1.55 0.00 0.00 64.86 66.48 3pcb h ILE 19 Cb 1.14 0.44 -0.03 0.00 -0.27 0.00 0.00 36.82 38.10 3pcb h ILE 19 CO -0.58 0.08 -1.97 0.61 -1.05 0.00 0.00 178.15 175.24 3pcb n GLY 20 N -1.51 -0.66 0.15 0.16 0.00 0.07 -4.59 105.19 98.80 3pcb n GLY 20 Ca 0.09 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.90 3pcb n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pcb n LEU 21 N -3.35 1.76 -2.73 0.99 4.77 -0.65 -4.83 117.00 112.96 3pcb n LEU 21 Ca -0.29 -1.51 -0.08 0.00 -0.03 0.00 0.00 56.01 54.10 3pcb n LEU 21 Cb 1.05 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 42.18 3pcb n LEU 21 CO 0.42 0.42 0.34 0.00 -1.33 0.00 0.00 177.39 177.25 3pcb n ALA 22 N -0.03 -1.52 -0.07 -1.18 0.00 0.12 -4.97 120.51 112.86 3pcb n ALA 22 Ca 0.02 -1.24 -0.07 0.00 0.00 0.00 0.00 53.44 52.16 3pcb n ALA 22 Cb 0.19 -1.60 -0.01 0.00 0.00 0.00 0.00 19.45 18.04 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 3.38 -0.45 -0.35 0.00 4.07 -1.72 -0.16 115.31 120.08 3pcb h LEU 23 Ca -0.15 0.11 0.07 0.00 0.08 0.00 0.00 57.88 57.98 3pcb h LEU 23 Cb 1.09 0.25 -0.06 0.00 1.08 0.00 0.00 40.66 43.02 3pcb h LEU 23 CO 0.17 -0.17 -0.05 -0.08 -1.08 0.00 0.00 178.44 177.24 3pcb h GLU 24 N -0.09 0.04 -0.93 1.13 4.81 -1.88 -1.41 114.58 116.25 3pcb h GLU 24 Ca 0.15 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 3pcb h GLU 24 Cb 0.31 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 3pcb h GLU 24 CO -0.35 0.03 0.61 0.00 -0.73 0.00 0.00 179.01 178.56 3pcb h ALA 25 N 1.33 1.44 0.00 2.92 0.00 -1.69 0.17 119.26 123.43 3pcb h ALA 25 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3pcb h ALA 25 Cb 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3pcb h ALA 25 CO -0.33 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.38 3pcb n ALA 26 N -2.39 1.99 -2.74 0.00 0.00 -0.15 -4.89 120.51 112.32 3pcb n ALA 26 Ca 0.13 -0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.43 3pcb n ALA 26 Cb 0.14 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.25 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 0.73 0.50 3.46 0.00 0.00 0.60 -5.00 105.19 105.49 3pcb n GLY 27 Ca 0.05 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.06 3.62 0.24 1.61 0.01 -0.62 -5.04 114.94 111.71 3pcb s ASN 28 Ca 0.15 -0.81 -0.31 0.00 -0.71 0.00 0.00 52.86 51.17 3pcb s ASN 28 Cb -0.07 -0.36 -0.12 0.00 0.41 0.00 0.00 41.25 41.11 3pcb s ASN 28 CO 0.19 0.11 1.58 -0.81 -1.51 0.00 0.00 177.10 176.66 3pcb n PRO 29 N 0.17 2.49 -2.69 -0.60 -0.04 -1.26 -3.98 135.00 129.09 3pcb n PRO 29 Ca -0.12 0.89 -0.21 0.00 -0.04 0.00 0.00 63.50 64.02 3pcb n PRO 29 Cb 0.56 -2.66 0.04 0.00 -0.04 0.00 0.00 33.50 31.40 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 0.42 2.61 0.61 0.52 -4.23 -1.26 -4.91 115.64 109.40 3pcb s THR 30 Ca 0.70 -0.71 0.03 0.00 -1.18 0.00 0.00 61.69 60.53 3pcb s THR 30 Cb -0.56 -2.91 0.12 0.00 1.34 0.00 0.00 72.50 70.49 3pcb s THR 30 CO 0.43 0.00 0.84 0.54 -0.54 0.00 0.00 174.62 175.89 3pcb n ARG 31 N -2.35 0.18 0.21 3.99 1.74 -1.26 -5.02 116.66 114.15 3pcb n ARG 31 Ca 0.09 -2.53 -0.16 0.00 -0.77 0.00 0.00 57.85 54.48 3pcb n ARG 31 Cb 0.60 -0.48 -0.09 0.00 -1.02 0.00 0.00 32.46 31.48 3pcb n ARG 31 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3pcb h ASP 32 N -0.34 -1.27 -3.33 0.55 3.32 -2.07 -3.40 116.42 109.89 3pcb h ASP 32 Ca -0.28 0.12 -0.65 0.00 0.02 0.00 0.00 57.03 56.24 3pcb h ASP 32 Cb 1.09 0.44 -0.24 0.00 0.22 0.00 0.00 39.33 40.85 3pcb h ASP 32 CO 0.32 -0.57 -0.70 -1.10 -1.72 0.00 0.00 179.24 175.47 3pcb s GLN 33 N -5.91 3.54 0.01 3.56 -0.21 -1.26 -5.10 119.66 114.30 3pcb s GLN 33 Ca -0.17 -0.58 0.02 0.00 0.02 0.00 0.00 55.36 54.64 3pcb s GLN 33 Cb 0.06 -2.84 -0.01 0.00 1.00 0.00 0.00 33.01 31.22 3pcb s GLN 33 CO 0.62 0.17 -0.06 -1.21 -2.12 0.00 0.00 175.29 172.69 3pcb s GLU 34 N 0.51 0.46 -0.31 2.91 0.41 -1.26 -5.13 118.70 116.30 3pcb s GLU 34 Ca -0.05 -0.35 -0.21 0.00 -0.41 0.00 0.00 54.97 53.95 3pcb s GLU 34 Cb -0.15 -0.39 -0.01 0.00 -1.78 0.00 0.00 34.13 31.81 3pcb s GLU 34 CO 0.03 0.10 0.67 0.42 -0.49 0.00 0.00 175.26 175.99 3pcb s ILE 35 N -0.48 4.90 0.00 -1.63 1.01 -1.26 -5.02 121.20 118.72 3pcb s ILE 35 Ca -0.01 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.58 3pcb s ILE 35 Cb -0.04 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.39 3pcb s ILE 35 CO -0.00 -0.17 0.00 1.87 0.00 0.00 0.00 174.94 176.64 3pcb n TRP 36 N 5.97 0.00 0.14 3.97 -0.00 -1.26 -4.61 117.44 121.64 3pcb n TRP 36 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.57 3pcb n TRP 36 Cb 0.49 0.00 0.24 0.00 -0.00 0.00 0.00 31.31 32.03 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 3.28 -4.02 5.87 6.94 -0.52 -1.01 115.26 125.80 3pcb n ASN 37 Ca 0.00 -2.28 -0.32 0.00 -0.02 0.00 0.00 54.58 51.96 3pcb n ASN 37 Cb 0.00 -0.46 -0.13 0.00 -2.36 0.00 0.00 39.78 36.82 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 -1.72 1.89 0.17 -3.83 3.52 -1.26 -0.55 118.95 117.17 3pcb s ARG 38 Ca 0.34 -2.23 0.08 0.00 -0.13 0.00 0.00 55.73 53.79 3pcb s ARG 38 Cb 0.22 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3pcb s ARG 38 CO 0.17 -1.05 1.38 -0.07 -0.81 0.00 0.00 175.30 174.91 3pcb h LEU 39 N 7.20 0.00 -8.55 -0.88 4.07 -0.55 -3.46 115.31 113.14 3pcb h LEU 39 Ca -0.06 0.00 -0.69 0.00 0.08 0.00 0.00 57.88 57.21 3pcb h LEU 39 Cb 0.97 0.00 -0.30 0.00 1.08 0.00 0.00 40.66 42.41 3pcb h LEU 39 CO 0.64 0.88 -0.87 0.00 -1.08 0.00 0.00 178.44 178.01 3pcb s ALA 40 N -2.97 2.24 0.26 1.53 0.00 -1.17 -0.01 121.76 121.64 3pcb s ALA 40 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 51.96 50.70 3pcb s ALA 40 Cb 0.11 -0.71 -0.09 0.00 0.00 0.00 0.00 23.12 22.43 3pcb s ALA 40 CO 0.80 0.44 0.80 0.15 0.00 0.00 0.00 175.76 177.95 3pcb s LYS 41 N -0.26 4.37 0.55 0.00 1.02 0.65 -4.84 119.74 121.22 3pcb s LYS 41 Ca -0.00 1.03 0.49 0.00 0.02 0.00 0.00 55.97 57.50 3pcb s LYS 41 Cb -0.13 -2.85 1.72 0.00 -0.52 0.00 0.00 37.83 36.05 3pcb s LYS 41 CO 0.03 0.35 1.60 -1.35 -0.92 0.00 0.00 175.35 175.06 3pcb h PRO 42 N 3.32 0.00 -0.74 -1.68 0.11 -2.00 0.46 132.00 131.48 3pcb h PRO 42 Ca -0.47 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 3pcb h PRO 42 Cb 1.19 -0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 3pcb h PRO 42 CO 0.65 0.00 0.16 -0.40 -0.21 0.00 0.00 178.00 178.20 3pcb n ASP 43 N -3.99 4.74 -4.78 -2.05 5.75 -1.26 -4.91 116.55 110.05 3pcb n ASP 43 Ca 0.42 -2.97 -0.38 0.00 -0.01 0.00 0.00 54.79 51.85 3pcb n ASP 43 Cb 1.92 -0.70 -0.06 0.00 -1.03 0.00 0.00 41.12 41.26 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 -2.63 3.55 0.70 2.12 0.00 0.16 -5.04 121.76 120.62 3pcb s ALA 44 Ca 0.48 -0.07 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 3pcb s ALA 44 Cb 0.38 -2.62 0.01 0.00 0.00 0.00 0.00 23.12 20.89 3pcb s ALA 44 CO 0.13 0.25 1.16 -0.35 0.00 0.00 0.00 175.76 176.95 3pcb n PRO 45 N 2.51 0.75 0.00 0.00 -0.04 -1.26 -4.89 135.00 132.08 3pcb n PRO 45 Ca -0.09 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 3pcb n PRO 45 Cb 0.51 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 3pcb n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3pcb n GLY 46 N 0.93 2.13 3.60 0.55 0.00 -1.26 -4.61 105.19 106.52 3pcb n GLY 46 Ca 0.15 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.24 3.61 0.25 1.61 2.12 -1.26 -4.93 118.70 117.85 3pcb s GLU 47 Ca 0.00 0.66 -0.30 0.00 0.36 0.00 0.00 54.97 55.70 3pcb s GLU 47 Cb 0.00 -3.98 -0.09 0.00 0.26 0.00 0.00 34.13 30.31 3pcb s GLU 47 CO 0.00 -1.54 1.28 -1.01 -0.54 0.00 0.00 175.26 173.45 3pcb s HIS 48 N 5.03 3.24 0.12 5.30 3.76 -1.26 -1.52 115.29 129.96 3pcb s HIS 48 Ca 0.53 1.34 -0.04 0.00 -0.15 0.00 0.00 55.06 56.74 3pcb s HIS 48 Cb -0.10 -3.58 -0.03 0.00 1.11 0.00 0.00 32.58 29.98 3pcb s HIS 48 CO 0.31 -1.70 0.10 0.96 -0.85 0.00 0.00 174.74 173.57 3pcb s ILE 49 N -0.41 0.12 -0.13 0.60 -4.36 0.86 -4.68 121.20 113.21 3pcb s ILE 49 Ca 0.53 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 59.22 3pcb s ILE 49 Cb -0.37 -1.81 -0.02 0.00 1.25 0.00 0.00 42.46 41.51 3pcb s ILE 49 CO 0.43 -0.56 -0.13 -0.22 0.24 0.00 0.00 174.94 174.69 3pcb s LEU 50 N -2.98 2.71 -0.04 0.37 2.96 -0.09 -2.18 118.68 119.43 3pcb s LEU 50 Ca 0.17 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 3pcb s LEU 50 Cb 0.06 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 3pcb s LEU 50 CO -0.02 0.17 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.27 3pcb s LEU 51 N 0.29 2.72 0.02 -0.68 1.43 -0.11 -0.86 118.68 121.49 3pcb s LEU 51 Ca -0.10 -0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 52.60 3pcb s LEU 51 Cb -0.16 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.55 3pcb s LEU 51 CO 0.06 0.34 0.41 -1.48 0.23 0.00 0.00 176.35 175.90 3pcb s LEU 52 N -0.79 0.43 -0.05 1.79 -0.00 -0.83 -0.53 118.68 118.70 3pcb s LEU 52 Ca 0.12 0.08 -0.31 0.00 -0.00 0.00 0.00 54.13 54.02 3pcb s LEU 52 Cb -0.11 1.69 0.12 0.00 -0.00 0.00 0.00 46.19 47.89 3pcb s LEU 52 CO 0.01 -0.61 1.34 -0.83 -0.00 0.00 0.00 176.35 176.27 3pcb s GLY 53 N -1.77 -0.37 0.32 -3.48 0.00 -0.99 0.13 107.32 101.16 3pcb s GLY 53 Ca -0.08 0.61 0.09 0.00 0.00 0.00 0.00 44.72 45.33 3pcb s GLY 53 CO 0.00 1.78 -0.09 1.20 0.00 0.00 0.00 173.10 176.00 3pcb s GLN 54 N -2.18 1.72 -0.09 2.90 -0.21 -1.25 -1.04 119.66 119.50 3pcb s GLN 54 Ca 0.19 -1.88 0.02 0.00 0.02 0.00 0.00 55.36 53.71 3pcb s GLN 54 Cb 0.04 -1.52 0.01 0.00 1.00 0.00 0.00 33.01 32.54 3pcb s GLN 54 CO -0.04 0.11 -0.16 0.08 -2.12 0.00 0.00 175.29 173.16 3pcb s VAL 55 N -2.74 1.49 0.09 1.09 1.01 -1.26 -1.06 120.40 119.02 3pcb s VAL 55 Ca 0.31 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.70 3pcb s VAL 55 Cb 0.03 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3pcb s VAL 55 CO 0.15 0.44 -0.10 -0.31 0.00 0.00 0.00 175.10 175.27 3pcb s TYR 56 N 0.76 2.74 0.46 5.22 2.02 -0.53 -0.46 117.35 127.56 3pcb s TYR 56 Ca -0.12 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.47 3pcb s TYR 56 Cb -0.16 -1.45 0.08 0.00 -0.40 0.00 0.00 41.96 40.04 3pcb s TYR 56 CO 0.02 0.41 0.63 -0.40 -1.57 0.00 0.00 175.55 174.65 3pcb n ASP 57 N 0.84 1.22 0.22 2.29 5.68 0.41 -1.64 116.55 125.57 3pcb n ASP 57 Ca -0.14 -1.94 0.16 0.00 -0.50 0.00 0.00 54.79 52.37 3pcb n ASP 57 Cb 0.52 -0.38 0.77 0.00 -1.14 0.00 0.00 41.12 40.90 3pcb n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3pcb h GLY 58 N -0.17 0.00 -0.32 6.12 0.00 -1.89 -1.65 103.07 105.16 3pcb h GLY 58 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3pcb h GLY 58 CO 0.26 0.00 -0.50 0.70 0.00 0.00 0.00 176.54 177.00 3pcb n ASN 59 N -2.61 1.45 0.00 0.19 3.02 -1.26 -4.76 115.26 111.28 3pcb n ASN 59 Ca -0.01 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 3pcb n ASN 59 Cb 0.12 0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 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 1.42 0.77 3.86 7.41 0.00 -0.62 -5.06 105.19 112.97 3pcb n GLY 60 Ca 0.09 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 3.63 0.27 1.61 3.76 -1.26 -4.78 115.29 116.52 3pcb s HIS 61 Ca 0.00 0.86 -0.29 0.00 -0.15 0.00 0.00 55.06 55.48 3pcb s HIS 61 Cb 0.00 -2.21 -0.10 0.00 1.11 0.00 0.00 32.58 31.38 3pcb s HIS 61 CO 0.00 0.56 1.36 -0.51 -0.85 0.00 0.00 174.74 175.30 3pcb s LEU 62 N -1.64 4.41 -0.52 0.89 1.43 -1.26 -0.44 118.68 121.55 3pcb s LEU 62 Ca 0.30 2.63 -0.16 0.00 -1.03 0.00 0.00 54.13 55.87 3pcb s LEU 62 Cb -0.15 -3.63 0.10 0.00 0.03 0.00 0.00 46.19 42.54 3pcb s LEU 62 CO 0.16 -0.60 0.49 -0.69 0.23 0.00 0.00 176.35 175.94 3pcb s VAL 63 N -0.45 5.16 -1.67 -1.59 1.01 0.39 -4.88 120.40 118.37 3pcb s VAL 63 Ca 0.55 -1.23 0.09 0.00 0.00 0.00 0.00 61.98 61.38 3pcb s VAL 63 Cb -0.40 -4.28 0.31 0.00 0.00 0.00 0.00 36.38 32.01 3pcb s VAL 63 CO 0.46 -0.79 1.20 0.54 0.00 0.00 0.00 175.10 176.51 3pcb n ARG 64 N 5.40 2.00 -0.51 2.72 1.74 -1.26 -4.11 116.66 122.63 3pcb n ARG 64 Ca -0.13 -1.23 0.02 0.00 -0.77 0.00 0.00 57.85 55.75 3pcb n ARG 64 Cb 0.42 -1.40 0.03 0.00 -1.02 0.00 0.00 32.46 30.49 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 0.42 0.60 -4.82 0.55 5.68 -1.26 -3.86 116.55 113.86 3pcb n ASP 65 Ca 0.11 -2.26 -0.33 0.00 -0.50 0.00 0.00 54.79 51.81 3pcb n ASP 65 Cb 0.37 -0.26 -0.03 0.00 -1.14 0.00 0.00 41.12 40.06 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 -1.52 6.35 -0.05 -1.12 1.04 -1.26 -4.58 113.70 112.57 3pcb s SER 66 Ca 0.10 1.75 0.02 0.00 0.48 0.00 0.00 55.95 58.29 3pcb s SER 66 Cb 0.10 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.70 3pcb s SER 66 CO -0.01 -0.77 -0.07 0.12 0.98 0.00 0.00 173.24 173.49 3pcb s PHE 67 N -2.35 0.91 0.10 5.02 5.36 0.13 -2.33 117.98 124.82 3pcb s PHE 67 Ca 0.63 -0.28 0.08 0.00 -0.96 0.00 0.00 56.93 56.40 3pcb s PHE 67 Cb -0.13 -0.74 -0.03 0.00 -0.34 0.00 0.00 43.02 41.77 3pcb s PHE 67 CO 0.27 -0.19 -0.20 -0.51 -1.46 0.00 0.00 175.22 173.13 3pcb s LEU 68 N 0.75 2.30 -0.02 6.12 1.02 -0.22 0.23 118.68 128.86 3pcb s LEU 68 Ca -0.11 -0.68 0.05 0.00 0.02 0.00 0.00 54.13 53.41 3pcb s LEU 68 Cb -0.14 -0.84 -0.01 0.00 0.02 0.00 0.00 46.19 45.21 3pcb s LEU 68 CO 0.01 0.04 -0.17 -1.61 0.02 0.00 0.00 176.35 174.65 3pcb s GLU 69 N -1.90 1.38 0.10 1.70 2.02 -0.50 -1.63 118.70 119.87 3pcb s GLU 69 Ca 0.06 -0.60 0.07 0.00 0.02 0.00 0.00 54.97 54.52 3pcb s GLU 69 Cb -0.10 -1.33 -0.03 0.00 0.10 0.00 0.00 34.13 32.77 3pcb s GLU 69 CO 0.04 0.35 -0.17 0.14 0.02 0.00 0.00 175.26 175.64 3pcb s VAL 70 N -0.36 1.42 -0.04 2.63 -7.23 -0.50 -1.46 120.40 114.86 3pcb s VAL 70 Ca 0.06 -1.52 -0.02 0.00 -1.81 0.00 0.00 61.98 58.70 3pcb s VAL 70 Cb -0.07 -1.39 0.03 0.00 0.56 0.00 0.00 36.38 35.51 3pcb s VAL 70 CO -0.00 -0.21 0.07 0.86 -0.31 0.00 0.00 175.10 175.51 3pcb s TRP 71 N -1.46 -0.01 0.14 2.82 -0.00 -0.74 -1.34 118.94 118.34 3pcb s TRP 71 Ca 0.04 0.29 -0.13 0.00 -0.00 0.00 0.00 56.10 56.31 3pcb s TRP 71 Cb -0.09 -0.31 0.02 0.00 -0.00 0.00 0.00 33.47 33.09 3pcb s TRP 71 CO 0.03 -0.16 0.35 1.14 -0.00 0.00 0.00 176.95 178.31 3pcb s GLN 72 N 1.65 1.09 0.48 5.86 -2.07 0.26 -1.01 119.66 125.91 3pcb s GLN 72 Ca -0.02 -0.90 -0.12 0.00 -1.82 0.00 0.00 55.36 52.50 3pcb s GLN 72 Cb -0.12 0.43 -0.06 0.00 -1.09 0.00 0.00 33.01 32.16 3pcb s GLN 72 CO -0.04 -0.41 0.88 0.00 -1.32 0.00 0.00 175.29 174.40 3pcb s ALA 73 N -3.87 3.22 1.00 2.60 0.00 -1.26 -4.50 121.76 118.95 3pcb s ALA 73 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3pcb s ALA 73 Cb 0.02 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.26 3pcb s ALA 73 CO -0.08 -0.22 0.00 -0.40 0.00 0.00 0.00 175.76 175.07 3pcb n ASP 74 N -1.70 -0.17 0.09 0.00 5.68 0.06 -4.16 116.55 116.33 3pcb n ASP 74 Ca 0.04 -0.59 -0.00 0.00 -0.50 0.00 0.00 54.79 53.74 3pcb n ASP 74 Cb 0.54 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.81 3pcb n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcb h ALA 75 N -2.00 1.27 -0.19 2.12 0.00 -1.82 1.03 119.26 119.68 3pcb h ALA 75 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3pcb h ALA 75 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3pcb h ALA 75 CO 0.00 0.49 0.00 0.09 0.00 0.00 0.00 179.25 179.83 3pcb n ASN 76 N -4.15 1.38 -2.75 0.00 3.02 -1.26 -3.63 115.26 107.88 3pcb n ASN 76 Ca -0.01 -2.06 -0.20 0.00 -0.03 0.00 0.00 54.58 52.28 3pcb n ASN 76 Cb 0.37 -0.24 0.03 0.00 -0.61 0.00 0.00 39.78 39.34 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 0.66 -0.40 3.32 7.41 0.00 -0.67 -4.90 105.19 110.61 3pcb n GLY 77 Ca 0.07 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.61 2.13 -0.31 1.61 2.02 -1.26 -4.69 118.70 112.59 3pcb s GLU 78 Ca 0.28 -0.92 -0.20 0.00 0.02 0.00 0.00 54.97 54.15 3pcb s GLU 78 Cb -0.13 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.04 3pcb s GLU 78 CO 0.35 0.56 0.63 0.71 0.02 0.00 0.00 175.26 177.53 3pcb s TYR 79 N -0.62 3.21 -0.88 1.61 2.02 -1.26 -0.76 117.35 120.67 3pcb s TYR 79 Ca 0.10 0.56 -0.16 0.00 -0.37 0.00 0.00 57.07 57.20 3pcb s TYR 79 Cb -0.10 -3.00 0.19 0.00 -0.40 0.00 0.00 41.96 38.64 3pcb s TYR 79 CO -0.01 -0.49 0.92 -0.65 -1.57 0.00 0.00 175.55 173.75 3pcb s GLN 80 N 2.62 3.63 0.30 -0.62 -1.52 -1.26 -4.86 119.66 117.94 3pcb s GLN 80 Ca 0.25 -2.22 0.25 0.00 -1.95 0.00 0.00 55.36 51.69 3pcb s GLN 80 Cb -0.15 -4.62 0.72 0.00 -0.22 0.00 0.00 33.01 28.74 3pcb s GLN 80 CO 0.12 -1.48 1.73 0.38 -0.25 0.00 0.00 175.29 175.80 3pcb h ASP 81 N 8.13 0.00 -1.54 5.90 2.03 -1.97 -3.29 116.42 125.69 3pcb h ASP 81 Ca 0.13 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.82 3pcb h ASP 81 Cb 1.03 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.42 3pcb h ASP 81 CO 0.90 0.00 1.30 0.00 -1.03 0.00 0.00 179.24 180.40 3pcb s ALA 82 N -3.19 2.84 -0.03 4.15 0.00 -1.26 -4.96 121.76 119.31 3pcb s ALA 82 Ca 0.08 -2.23 -0.30 0.00 0.00 0.00 0.00 51.96 49.52 3pcb s ALA 82 Cb 0.10 -4.39 -0.05 0.00 0.00 0.00 0.00 23.12 18.78 3pcb s ALA 82 CO 0.59 -3.44 1.43 -0.47 0.00 0.00 0.00 175.76 173.87 3pcb s TYR 83 N 4.64 2.69 -0.20 0.00 5.04 -1.26 -5.01 117.35 123.25 3pcb s TYR 83 Ca 0.42 0.73 -0.15 0.00 -2.44 0.00 0.00 57.07 55.62 3pcb s TYR 83 Cb -0.02 -3.69 0.06 0.00 0.35 0.00 0.00 41.96 38.65 3pcb s TYR 83 CO -0.06 -2.61 0.51 1.21 -1.34 0.00 0.00 175.55 173.26 3pcb s ASN 84 N 2.17 -0.59 0.45 4.32 3.84 -1.26 -5.03 114.94 118.83 3pcb s ASN 84 Ca 0.64 1.06 0.17 0.00 0.21 0.00 0.00 52.86 54.95 3pcb s ASN 84 Cb -0.30 1.01 1.04 0.00 -0.55 0.00 0.00 41.25 42.44 3pcb s ASN 84 CO 0.25 -0.19 1.96 -0.07 -2.79 0.00 0.00 177.10 176.26 3pcb h LEU 85 N 6.15 0.00 -1.22 3.21 3.38 -1.98 -2.29 115.31 122.56 3pcb h LEU 85 Ca -0.31 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 3pcb h LEU 85 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3pcb h LEU 85 CO 0.22 0.22 -0.38 -0.33 0.09 0.00 0.00 178.44 178.26 3pcb h GLU 86 N 0.00 0.00 -6.94 1.13 5.08 -2.00 -3.45 114.58 108.40 3pcb h GLU 86 Ca -0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3pcb h GLU 86 Cb 0.43 0.00 0.19 0.00 0.50 0.00 0.00 28.75 29.86 3pcb h GLU 86 CO 0.03 0.38 -0.05 0.09 -1.00 0.00 0.00 179.01 178.46 3pcb n ASN 87 N -3.97 -0.16 0.05 1.42 3.02 -0.86 -4.92 115.26 109.84 3pcb n ASN 87 Ca -0.02 0.56 -0.04 0.00 -0.03 0.00 0.00 54.58 55.06 3pcb n ASN 87 Cb 0.43 -1.36 -0.08 0.00 -0.61 0.00 0.00 39.78 38.15 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 -0.75 0.59 -3.26 5.41 0.00 -1.87 -3.44 119.26 115.94 3pcb h ALA 88 Ca -0.46 -0.92 -0.21 0.00 0.00 0.00 0.00 54.91 53.33 3pcb h ALA 88 Cb 1.32 0.11 -0.29 0.00 0.00 0.00 0.00 17.79 18.93 3pcb h ALA 88 CO 0.43 1.11 -0.54 0.12 0.00 0.00 0.00 179.25 180.37 3pcb s PHE 89 N -2.79 -0.20 -0.06 0.00 5.36 -1.26 0.24 117.98 119.27 3pcb s PHE 89 Ca -0.01 0.51 0.04 0.00 -0.96 0.00 0.00 56.93 56.51 3pcb s PHE 89 Cb 0.09 0.01 0.00 0.00 -0.34 0.00 0.00 43.02 42.78 3pcb s PHE 89 CO 0.80 -0.13 -0.18 -0.80 -1.46 0.00 0.00 175.22 173.45 3pcb s ASN 90 N 0.60 2.31 0.49 6.13 0.01 0.99 -4.95 114.94 120.52 3pcb s ASN 90 Ca -0.04 -0.39 0.28 0.00 -0.71 0.00 0.00 52.86 52.00 3pcb s ASN 90 Cb -0.06 -0.84 1.02 0.00 0.41 0.00 0.00 41.25 41.78 3pcb s ASN 90 CO -0.03 0.13 1.86 0.28 -1.51 0.00 0.00 177.10 177.82 3pcb h SER 91 N 6.52 0.00 -3.46 -1.22 0.02 -1.79 -3.43 113.55 110.19 3pcb h SER 91 Ca -0.29 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.99 3pcb h SER 91 Cb 1.19 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.58 3pcb h SER 91 CO 0.47 0.08 -0.66 0.12 -1.14 0.00 0.00 176.83 175.70 3pcb s PHE 92 N -3.56 3.01 0.25 3.45 5.36 -1.26 -0.58 117.98 124.66 3pcb s PHE 92 Ca 0.02 0.05 -0.13 0.00 -0.96 0.00 0.00 56.93 55.92 3pcb s PHE 92 Cb 0.09 -1.67 -0.00 0.00 -0.34 0.00 0.00 43.02 41.09 3pcb s PHE 92 CO 0.60 0.42 0.49 0.20 -1.46 0.00 0.00 175.22 175.47 3pcb s GLY 93 N -1.37 0.56 -0.01 13.12 0.00 -0.45 -4.85 107.32 114.32 3pcb s GLY 93 Ca 0.17 -0.89 -0.02 0.00 0.00 0.00 0.00 44.72 43.99 3pcb s GLY 93 CO 0.08 -0.63 0.03 0.50 0.00 0.00 0.00 173.10 173.08 3pcb s ARG 94 N -3.97 0.14 0.19 2.90 0.52 -0.18 -1.42 118.95 117.14 3pcb s ARG 94 Ca 0.22 -0.12 -0.11 0.00 -0.52 0.00 0.00 55.73 55.20 3pcb s ARG 94 Cb -0.01 0.06 -0.00 0.00 0.52 0.00 0.00 34.95 35.52 3pcb s ARG 94 CO 0.09 -0.02 0.37 -0.08 0.02 0.00 0.00 175.30 175.68 3pcb s THR 95 N -0.40 0.04 0.08 0.02 -1.32 -0.65 -1.44 115.64 111.97 3pcb s THR 95 Ca -0.05 -1.29 -0.10 0.00 -1.21 0.00 0.00 61.69 59.05 3pcb s THR 95 Cb -0.03 -1.89 0.00 0.00 -1.51 0.00 0.00 72.50 69.07 3pcb s THR 95 CO -0.00 -0.18 0.22 0.00 -2.21 0.00 0.00 174.62 172.45 3pcb s ALA 96 N -3.97 -0.36 -0.02 11.08 0.00 -1.26 -1.05 121.76 126.18 3pcb s ALA 96 Ca 0.17 -0.44 -0.18 0.00 0.00 0.00 0.00 51.96 51.51 3pcb s ALA 96 Cb 0.02 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 3pcb s ALA 96 CO 0.02 -0.48 0.49 0.95 0.00 0.00 0.00 175.76 176.74 3pcb s THR 97 N -3.49 4.99 0.29 0.00 -4.23 -0.99 -4.33 115.64 107.89 3pcb s THR 97 Ca 0.02 1.01 -0.30 0.00 -1.18 0.00 0.00 61.69 61.24 3pcb s THR 97 Cb 0.03 -3.82 -0.13 0.00 1.34 0.00 0.00 72.50 69.93 3pcb s THR 97 CO -0.09 0.47 1.41 0.35 -0.54 0.00 0.00 174.62 176.22 3pcb n THR 98 N 2.48 1.32 0.31 3.99 -2.24 -1.16 -4.48 114.28 114.51 3pcb n THR 98 Ca -0.10 -0.33 0.16 0.00 -2.27 0.00 0.00 64.05 61.51 3pcb n THR 98 Cb 0.52 -1.61 0.71 0.00 -2.10 0.00 0.00 70.33 67.84 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 3.77 0.00 0.00 4.78 0.04 -1.95 -0.35 116.94 123.23 3pcb h PHE 99 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 3pcb h PHE 99 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 3pcb h PHE 99 CO 0.55 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.86 3pcb n ASP 100 N -2.70 0.00 -0.25 2.17 5.75 -1.26 -4.71 116.55 115.54 3pcb n ASP 100 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.75 3pcb n ASP 100 Cb 0.20 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.44 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 1.23 -1.93 2.12 0.00 -1.98 -3.47 119.26 113.24 3pcb h ALA 101 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3pcb h ALA 101 Cb 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 17.79 17.51 3pcb h ALA 101 CO 0.00 0.60 -0.17 0.41 0.00 0.00 0.00 179.25 180.09 3pcb n GLY 102 N -1.11 0.48 3.26 0.00 0.00 -0.14 -4.92 105.19 102.76 3pcb n GLY 102 Ca 0.08 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 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 -5.10 1.33 0.23 1.61 2.12 -1.26 -4.43 118.70 113.20 3pcb s GLU 103 Ca 0.12 -0.99 0.08 0.00 0.36 0.00 0.00 54.97 54.53 3pcb s GLU 103 Cb -0.05 -1.48 -0.04 0.00 0.26 0.00 0.00 34.13 32.82 3pcb s GLU 103 CO 0.15 0.37 0.09 1.67 -0.54 0.00 0.00 175.26 176.99 3pcb s TRP 104 N -0.88 2.93 0.00 5.30 1.48 -0.21 -2.97 118.94 124.58 3pcb s TRP 104 Ca 0.07 -0.14 -0.11 0.00 -1.06 0.00 0.00 56.10 54.86 3pcb s TRP 104 Cb -0.09 -1.34 0.01 0.00 -1.16 0.00 0.00 33.47 30.89 3pcb s TRP 104 CO 0.02 0.55 0.23 0.95 -4.06 0.00 0.00 176.95 174.65 3pcb s THR 105 N -2.08 0.07 -0.00 0.66 -4.23 -1.26 -2.35 115.64 106.46 3pcb s THR 105 Ca 0.31 -0.61 -0.07 0.00 -1.18 0.00 0.00 61.69 60.15 3pcb s THR 105 Cb -0.08 -0.58 0.00 0.00 1.34 0.00 0.00 72.50 73.18 3pcb s THR 105 CO 0.22 -0.33 0.13 -0.22 -0.54 0.00 0.00 174.62 173.87 3pcb s LEU 106 N -1.45 1.58 -0.29 4.79 2.96 0.31 -4.84 118.68 121.74 3pcb s LEU 106 Ca -0.13 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 3pcb s LEU 106 Cb -0.06 0.62 0.06 0.00 0.50 0.00 0.00 46.19 47.31 3pcb s LEU 106 CO 0.02 -0.33 -0.04 -1.00 -1.32 0.00 0.00 176.35 173.68 3pcb s HIS 107 N -1.22 3.28 0.00 5.38 3.76 0.29 -0.94 115.29 125.85 3pcb s HIS 107 Ca -0.13 -2.09 0.00 0.00 -0.15 0.00 0.00 55.06 52.69 3pcb s HIS 107 Cb -0.07 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.54 3pcb s HIS 107 CO 0.01 -0.84 0.00 -2.37 -0.85 0.00 0.00 174.74 170.69 3pcb n THR 108 N 4.54 0.00 -4.37 1.30 5.66 -0.92 0.19 114.28 120.67 3pcb n THR 108 Ca -0.13 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.62 3pcb n THR 108 Cb 0.43 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.09 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 -1.88 2.08 -0.10 1.08 -7.23 -1.26 -0.10 120.40 112.99 3pcb s VAL 109 Ca 0.00 -1.92 -0.29 0.00 -1.81 0.00 0.00 61.98 57.96 3pcb s VAL 109 Cb 0.00 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 3pcb s VAL 109 CO 0.00 -0.17 1.51 -0.75 -0.31 0.00 0.00 175.10 175.39 3pcb s LYS 110 N -2.59 4.18 0.47 4.82 2.20 -0.58 -4.88 119.74 123.36 3pcb s LYS 110 Ca 0.17 1.97 -0.23 0.00 -0.36 0.00 0.00 55.97 57.52 3pcb s LYS 110 Cb -0.08 -3.91 -0.07 0.00 -1.51 0.00 0.00 37.83 32.26 3pcb s LYS 110 CO 0.08 -0.82 1.21 -1.25 -0.36 0.00 0.00 175.35 174.20 3pcb s PRO 111 N 3.89 3.66 0.85 4.03 0.04 -1.26 -4.33 135.00 141.87 3pcb s PRO 111 Ca 0.67 1.88 -0.12 0.00 0.04 0.00 0.00 61.00 63.47 3pcb s PRO 111 Cb -0.29 -2.41 0.10 0.00 0.04 0.00 0.00 34.50 31.95 3pcb s PRO 111 CO 0.24 -0.66 1.13 0.20 0.04 0.00 0.00 177.00 177.96 3pcb s GLY 112 N -1.25 1.59 0.39 0.56 0.00 0.35 -4.65 107.32 104.31 3pcb s GLY 112 Ca 0.64 -0.46 -0.24 0.00 0.00 0.00 0.00 44.72 44.66 3pcb s GLY 112 CO 0.38 0.03 1.03 0.14 0.00 0.00 0.00 173.10 174.69 3pcb s VAL 113 N -3.32 3.80 0.14 1.40 1.01 -1.26 -4.45 120.40 117.71 3pcb s VAL 113 Ca 0.62 1.38 0.05 0.00 0.00 0.00 0.00 61.98 64.02 3pcb s VAL 113 Cb -0.14 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3pcb s VAL 113 CO 0.52 0.00 -0.11 0.68 0.00 0.00 0.00 175.10 176.20 3pcb s VAL 114 N -1.68 1.17 0.22 2.92 -7.23 -1.25 -4.57 120.40 109.98 3pcb s VAL 114 Ca 0.57 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 58.82 3pcb s VAL 114 Cb -0.21 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 3pcb s VAL 114 CO 0.26 -0.68 0.29 0.20 -0.31 0.00 0.00 175.10 174.87 3pcb s ASN 115 N -2.99 6.10 1.01 4.85 0.01 -1.26 0.04 114.94 122.70 3pcb s ASN 115 Ca 0.14 0.01 -0.10 0.00 -0.71 0.00 0.00 52.86 52.21 3pcb s ASN 115 Cb 0.01 -1.75 0.13 0.00 0.41 0.00 0.00 41.25 40.05 3pcb s ASN 115 CO 0.01 -0.03 0.75 -0.46 -1.51 0.00 0.00 177.10 175.86 3pcb n ASN 116 N -1.09 -0.08 -0.28 -1.22 0.23 0.39 -4.87 115.26 108.34 3pcb n ASN 116 Ca -0.08 -1.24 -0.04 0.00 -0.53 0.00 0.00 54.58 52.69 3pcb n ASN 116 Cb 0.56 -0.58 0.08 0.00 -2.08 0.00 0.00 39.78 37.76 3pcb n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pcb h ALA 117 N -1.93 0.99 0.00 -2.53 0.00 -2.00 -1.74 119.26 112.06 3pcb h ALA 117 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3pcb h ALA 117 Cb 0.68 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3pcb h ALA 117 CO 0.17 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.77 3pcb n ALA 118 N -2.32 1.83 -0.52 0.00 0.00 -1.26 -4.86 120.51 113.38 3pcb n ALA 118 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3pcb n ALA 118 Cb 0.05 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 0.05 0.75 3.73 0.00 0.00 -0.65 -5.04 105.19 104.01 3pcb n GLY 119 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.45 5.09 0.35 1.61 1.01 -1.26 -4.73 120.40 120.03 3pcb s VAL 120 Ca 0.00 1.16 -0.27 0.00 0.00 0.00 0.00 61.98 62.87 3pcb s VAL 120 Cb 0.00 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 3pcb s VAL 120 CO 0.00 0.32 1.17 -2.16 0.00 0.00 0.00 175.10 174.43 3pcb s PRO 121 N 0.51 4.28 0.08 2.72 0.05 -1.26 0.15 135.00 141.53 3pcb s PRO 121 Ca 0.30 1.88 0.03 0.00 0.05 0.00 0.00 61.00 63.27 3pcb s PRO 121 Cb -0.16 -2.88 -0.04 0.00 0.05 0.00 0.00 34.50 31.46 3pcb s PRO 121 CO 0.14 -0.13 0.07 -1.64 0.05 0.00 0.00 177.00 175.48 3pcb s MET 122 N -1.98 2.83 0.70 4.56 -1.94 0.11 -4.51 119.30 119.07 3pcb s MET 122 Ca 0.52 -0.71 -0.15 0.00 -1.71 0.00 0.00 55.69 53.64 3pcb s MET 122 Cb -0.32 -2.70 0.02 0.00 2.01 0.00 0.00 34.83 33.84 3pcb s MET 122 CO 0.41 0.56 1.16 0.00 -0.01 0.00 0.00 175.02 177.14 3pcb s ALA 123 N -1.38 2.27 0.30 3.03 0.00 -1.26 -3.83 121.76 120.90 3pcb s ALA 123 Ca 0.29 0.72 -0.28 0.00 0.00 0.00 0.00 51.96 52.69 3pcb s ALA 123 Cb -0.12 -3.40 -0.14 0.00 0.00 0.00 0.00 23.12 19.47 3pcb s ALA 123 CO 0.21 -1.60 1.07 -0.35 0.00 0.00 0.00 175.76 175.09 3pcb n PRO 124 N -2.59 1.52 -3.46 0.00 -0.04 -1.26 -4.83 135.00 124.34 3pcb n PRO 124 Ca 0.12 0.53 -0.11 0.00 -0.04 0.00 0.00 63.50 64.00 3pcb n PRO 124 Cb 0.51 -1.95 -0.02 0.00 -0.04 0.00 0.00 33.50 32.00 3pcb n PRO 124 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3pcb s HIS 125 N -1.06 -0.47 -0.12 0.54 -3.43 -1.26 -4.49 115.29 105.00 3pcb s HIS 125 Ca 0.58 0.28 0.03 0.00 -0.80 0.00 0.00 55.06 55.15 3pcb s HIS 125 Cb -0.67 0.56 0.01 0.00 -1.43 0.00 0.00 32.58 31.04 3pcb s HIS 125 CO 0.60 -0.76 -0.23 0.42 -2.00 0.00 0.00 174.74 172.77 3pcb s ILE 126 N -3.55 2.08 -0.04 -5.38 1.01 -0.47 -4.58 121.20 110.27 3pcb s ILE 126 Ca 0.03 -0.99 -0.21 0.00 0.00 0.00 0.00 60.65 59.48 3pcb s ILE 126 Cb -0.01 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 3pcb s ILE 126 CO -0.11 0.55 0.60 0.20 0.00 0.00 0.00 174.94 176.18 3pcb s ASN 127 N 0.60 6.92 0.05 3.58 0.01 -0.18 0.12 114.94 126.04 3pcb s ASN 127 Ca -0.12 1.10 0.08 0.00 -0.71 0.00 0.00 52.86 53.20 3pcb s ASN 127 Cb -0.17 -2.36 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 3pcb s ASN 127 CO 0.03 0.03 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.81 3pcb s ILE 128 N 0.21 1.70 -0.12 0.60 1.01 -0.03 -1.79 121.20 122.77 3pcb s ILE 128 Ca 0.32 -1.27 0.01 0.00 0.00 0.00 0.00 60.65 59.71 3pcb s ILE 128 Cb -0.17 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.82 3pcb s ILE 128 CO 0.16 0.17 -0.14 -0.44 0.00 0.00 0.00 174.94 174.69 3pcb s SER 129 N -1.31 2.44 -0.15 3.58 0.01 -0.54 -0.98 113.70 116.75 3pcb s SER 129 Ca 0.08 -0.42 -0.05 0.00 1.31 0.00 0.00 55.95 56.86 3pcb s SER 129 Cb -0.09 -1.07 -0.03 0.00 0.21 0.00 0.00 66.02 65.03 3pcb s SER 129 CO 0.02 -0.02 0.02 -0.22 0.41 0.00 0.00 173.24 173.45 3pcb s LEU 130 N 1.17 3.59 0.11 2.44 2.96 0.13 -1.41 118.68 127.66 3pcb s LEU 130 Ca -0.03 0.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.99 3pcb s LEU 130 Cb -0.14 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 3pcb s LEU 130 CO -0.04 0.23 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.67 3pcb s PHE 131 N 0.02 1.67 0.00 5.38 0.40 0.13 -2.16 117.98 123.43 3pcb s PHE 131 Ca 0.03 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 3pcb s PHE 131 Cb -0.13 -0.90 0.00 0.00 0.51 0.00 0.00 43.02 42.50 3pcb s PHE 131 CO 0.02 0.20 0.00 0.00 0.70 0.00 0.00 175.22 176.13 3pcb n ALA 132 N 0.96 0.00 -1.72 5.36 0.00 -1.26 -0.70 120.51 123.15 3pcb n ALA 132 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 3pcb n ALA 132 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.34 2.27 0.00 0.00 1.85 -1.24 -0.39 116.66 118.80 3pcb n ARG 133 Ca 0.00 0.80 0.00 0.00 -1.00 0.00 0.00 57.85 57.65 3pcb n ARG 133 Cb 0.00 -2.42 0.00 0.00 -1.05 0.00 0.00 32.46 28.99 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 0.77 2.02 3.31 2.89 0.00 -1.26 -4.96 105.19 107.96 3pcb n GLY 134 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.34 4.09 0.17 -0.61 1.01 0.48 -4.99 121.20 119.02 3pcb s ILE 135 Ca 0.00 -1.06 -0.10 0.00 0.00 0.00 0.00 60.65 59.49 3pcb s ILE 135 Cb 0.00 -3.32 0.05 0.00 0.01 0.00 0.00 42.46 39.20 3pcb s ILE 135 CO 0.00 -0.23 1.62 0.78 0.00 0.00 0.00 174.94 177.11 3pcb h ASN 136 N 8.31 1.04 -3.51 3.58 2.35 -1.91 -3.34 115.58 122.09 3pcb h ASN 136 Ca -0.24 -0.32 -0.37 0.00 -0.55 0.00 0.00 56.30 54.81 3pcb h ASN 136 Cb 1.09 -0.28 -0.33 0.00 0.05 0.00 0.00 38.32 38.84 3pcb h ASN 136 CO 0.64 1.11 -0.76 -0.51 -1.65 0.00 0.00 177.43 176.26 3pcb s ILE 137 N -4.96 0.37 0.58 2.81 2.07 -1.26 -3.08 121.20 117.74 3pcb s ILE 137 Ca -0.12 -0.04 -0.19 0.00 -1.41 0.00 0.00 60.65 58.89 3pcb s ILE 137 Cb 0.13 -0.42 -0.05 0.00 0.13 0.00 0.00 42.46 42.25 3pcb s ILE 137 CO 0.86 0.18 1.05 0.00 -1.91 0.00 0.00 174.94 175.12 3pcb n HIS 138 N 3.99 1.13 -3.80 3.50 1.44 -1.26 -5.00 115.22 115.22 3pcb n HIS 138 Ca -0.25 0.44 -0.35 0.00 -2.01 0.00 0.00 57.72 55.55 3pcb n HIS 138 Cb 0.51 -2.19 -0.08 0.00 0.12 0.00 0.00 29.99 28.35 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 -2.29 4.11 -0.19 2.39 1.43 -0.92 -4.91 118.68 118.31 3pcb s LEU 139 Ca 0.75 0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.93 3pcb s LEU 139 Cb -0.42 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.69 3pcb s LEU 139 CO 0.47 0.18 0.19 -1.00 0.23 0.00 0.00 176.35 176.43 3pcb s HIS 140 N 0.37 3.41 0.27 0.29 3.76 -1.26 0.18 115.29 122.31 3pcb s HIS 140 Ca 0.07 0.40 -0.05 0.00 -0.15 0.00 0.00 55.06 55.33 3pcb s HIS 140 Cb -0.11 -2.25 -0.01 0.00 1.11 0.00 0.00 32.58 31.32 3pcb s HIS 140 CO -0.01 0.23 0.37 -0.08 -0.85 0.00 0.00 174.74 174.39 3pcb s THR 141 N 0.55 0.00 0.02 1.30 -1.32 -0.16 -0.70 115.64 115.33 3pcb s THR 141 Ca 0.11 -1.67 0.04 0.00 -1.21 0.00 0.00 61.69 58.96 3pcb s THR 141 Cb -0.12 -2.45 -0.02 0.00 -1.51 0.00 0.00 72.50 68.40 3pcb s THR 141 CO 0.01 0.00 -0.13 -0.13 -2.21 0.00 0.00 174.62 172.16 3pcb s ARG 142 N -3.69 0.94 -0.16 7.08 0.52 -1.26 -0.85 118.95 121.52 3pcb s ARG 142 Ca 0.31 -0.66 -0.06 0.00 -0.52 0.00 0.00 55.73 54.80 3pcb s ARG 142 Cb 0.02 -0.93 -0.04 0.00 0.52 0.00 0.00 34.95 34.52 3pcb s ARG 142 CO 0.15 0.24 0.04 -1.17 0.02 0.00 0.00 175.30 174.58 3pcb s LEU 143 N -0.89 3.74 0.27 2.53 0.20 0.32 -4.81 118.68 120.04 3pcb s LEU 143 Ca 0.02 0.08 0.11 0.00 0.69 0.00 0.00 54.13 55.04 3pcb s LEU 143 Cb -0.07 -1.92 -0.05 0.00 -0.43 0.00 0.00 46.19 43.72 3pcb s LEU 143 CO 0.01 0.22 -0.13 -0.31 -0.29 0.00 0.00 176.35 175.84 3pcb s TYR 144 N 0.11 2.43 -0.12 5.38 2.02 -0.59 -1.36 117.35 125.22 3pcb s TYR 144 Ca 0.04 -0.29 -0.03 0.00 -0.37 0.00 0.00 57.07 56.42 3pcb s TYR 144 Cb -0.12 -1.07 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 3pcb s TYR 144 CO 0.01 0.67 -0.03 -0.06 -1.57 0.00 0.00 175.55 174.58 3pcb s PHE 145 N -2.39 3.06 0.27 2.71 0.40 -1.26 0.11 117.98 120.88 3pcb s PHE 145 Ca 0.30 -0.09 0.27 0.00 -0.60 0.00 0.00 56.93 56.81 3pcb s PHE 145 Cb -0.06 -1.88 1.24 0.00 0.51 0.00 0.00 43.02 42.84 3pcb s PHE 145 CO 0.16 0.18 1.97 0.38 0.70 0.00 0.00 175.22 178.61 3pcb h ASP 146 N 6.04 0.00 -0.38 1.36 2.03 -1.41 -2.74 116.42 121.31 3pcb h ASP 146 Ca -0.40 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 55.74 3pcb h ASP 146 Cb 1.19 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.59 3pcb h ASP 146 CO 0.59 0.15 0.21 -0.90 -1.03 0.00 0.00 179.24 178.27 3pcb n ASP 147 N -3.46 3.25 -1.50 4.15 5.68 -1.26 -3.80 116.55 119.60 3pcb n ASP 147 Ca -0.01 -2.61 0.03 0.00 -0.50 0.00 0.00 54.79 51.70 3pcb n ASP 147 Cb 0.32 -0.63 0.06 0.00 -1.14 0.00 0.00 41.12 39.74 3pcb n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pcb n GLU 148 N -0.08 0.65 -0.30 0.11 -0.58 -1.03 -4.90 120.64 114.51 3pcb n GLU 148 Ca 0.22 -2.52 0.11 0.00 -0.42 0.00 0.00 57.16 54.55 3pcb n GLU 148 Cb 0.92 -0.60 0.25 0.00 -0.57 0.00 0.00 31.44 31.44 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 1.23 1.11 0.21 0.62 0.00 -1.77 0.17 119.26 120.84 3pcb h ALA 149 Ca -0.15 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3pcb h ALA 149 Cb 1.63 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.81 3pcb h ALA 149 CO 0.11 -0.49 -0.37 1.96 0.00 0.00 0.00 179.25 180.47 3pcb h GLN 150 N 0.12 -0.60 -0.31 0.00 4.20 -1.94 0.12 115.11 116.71 3pcb h GLN 150 Ca 0.53 0.04 0.05 0.00 0.06 0.00 0.00 58.65 59.33 3pcb h GLN 150 Cb 1.04 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.91 3pcb h GLN 150 CO -0.73 -0.40 0.00 0.00 -0.67 0.00 0.00 178.83 177.03 3pcb h ALA 151 N -0.98 0.28 -0.80 3.87 0.00 -1.75 -1.17 119.26 118.70 3pcb h ALA 151 Ca -0.02 0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.11 3pcb h ALA 151 Cb 0.58 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 3pcb h ALA 151 CO -0.13 -0.41 0.53 -0.91 0.00 0.00 0.00 179.25 178.33 3pcb h ASN 152 N 0.09 0.51 0.31 0.00 2.35 -0.50 0.05 115.58 118.39 3pcb h ASN 152 Ca 0.15 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 3pcb h ASN 152 Cb 0.20 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 3pcb h ASN 152 CO -0.25 0.27 -0.26 0.00 -1.65 0.00 0.00 177.43 175.54 3pcb h ALA 153 N 1.62 1.49 0.00 -0.83 0.00 0.53 -2.97 119.26 119.10 3pcb h ALA 153 Ca 0.39 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3pcb h ALA 153 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3pcb h ALA 153 CO -0.15 0.33 -1.05 1.63 0.00 0.00 0.00 179.25 180.02 3pcb n LYS 154 N -4.11 0.13 -1.68 0.00 4.76 -0.10 -4.95 118.16 112.21 3pcb n LYS 154 Ca -0.02 -0.02 -0.55 0.00 -2.87 0.00 0.00 58.31 54.85 3pcb n LYS 154 Cb 0.32 -1.52 -0.06 0.00 -1.84 0.00 0.00 35.03 31.93 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 6.81 0.00 0.00 0.00 0.13 -1.92 0.04 132.00 137.06 3pcb h PRO 156 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3pcb h PRO 156 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 3pcb h PRO 156 CO 0.91 0.20 -0.13 0.28 -0.23 0.00 0.00 178.00 179.04 3pcb h VAL 157 N 0.00 0.96 -0.51 1.56 2.07 -1.94 -3.29 116.25 115.10 3pcb h VAL 157 Ca -0.00 -1.76 0.08 0.00 0.82 0.00 0.00 66.70 65.84 3pcb h VAL 157 Cb 0.59 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 3pcb h VAL 157 CO 0.03 0.33 0.34 0.25 0.02 0.00 0.00 177.57 178.54 3pcb h LEU 158 N -1.00 0.30 0.00 2.57 5.85 -1.90 0.11 115.31 121.24 3pcb h LEU 158 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3pcb h LEU 158 Cb 0.63 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3pcb h LEU 158 CO -0.02 0.19 0.00 0.59 -0.34 0.00 0.00 178.44 178.86 3pcb n ASN 159 N -4.47 0.00 0.18 1.25 3.02 -0.00 -2.52 115.26 112.72 3pcb n ASN 159 Ca 0.08 -0.25 0.09 0.00 -0.03 0.00 0.00 54.58 54.47 3pcb n ASN 159 Cb 0.34 -0.23 0.11 0.00 -0.61 0.00 0.00 39.78 39.39 3pcb n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pcb h LEU 160 N 0.00 0.00 -9.04 3.41 3.38 -0.83 -3.43 115.31 108.80 3pcb h LEU 160 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3pcb h LEU 160 Cb 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3pcb h LEU 160 CO 0.00 0.15 0.97 -0.63 0.09 0.00 0.00 178.44 179.02 3pcb s ILE 161 N -3.15 4.11 0.09 1.22 1.01 -1.05 -4.93 121.20 118.51 3pcb s ILE 161 Ca 0.05 1.28 -0.30 0.00 0.00 0.00 0.00 60.65 61.69 3pcb s ILE 161 Cb 0.06 -4.03 -0.13 0.00 0.01 0.00 0.00 42.46 38.38 3pcb s ILE 161 CO 0.70 -0.33 1.48 -0.33 0.00 0.00 0.00 174.94 176.46 3pcb h GLU 162 N 9.15 -0.62 -5.91 2.79 5.08 -1.89 -3.40 114.58 119.78 3pcb h GLU 162 Ca -0.28 0.04 -0.60 0.00 -1.00 0.00 0.00 59.36 57.53 3pcb h GLU 162 Cb 1.11 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 30.40 3pcb h GLU 162 CO 1.01 -0.41 0.50 -0.65 -1.00 0.00 0.00 179.01 178.45 3pcb s GLN 163 N -5.39 3.92 0.32 2.33 -1.52 -1.26 -4.95 119.66 113.12 3pcb s GLN 163 Ca -0.14 0.61 0.09 0.00 -1.95 0.00 0.00 55.36 53.97 3pcb s GLN 163 Cb 0.05 -3.76 0.86 0.00 -0.22 0.00 0.00 33.01 29.95 3pcb s GLN 163 CO 0.53 -0.79 1.75 -1.00 -0.25 0.00 0.00 175.29 175.52 3pcb h PRO 164 N 8.24 0.60 -0.76 2.91 0.13 -1.98 0.21 132.00 141.35 3pcb h PRO 164 Ca -0.24 -0.04 0.11 0.00 -0.87 0.00 0.00 66.00 64.97 3pcb h PRO 164 Cb 1.09 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.03 3pcb h PRO 164 CO 0.93 0.40 0.50 1.96 -0.23 0.00 0.00 178.00 181.56 3pcb h GLN 165 N 0.62 0.61 0.00 0.86 7.50 -1.96 -0.54 115.11 122.21 3pcb h GLN 165 Ca 0.62 -0.04 -0.04 0.00 0.50 0.00 0.00 58.65 59.69 3pcb h GLN 165 Cb 1.15 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.53 3pcb h GLN 165 CO -0.43 0.40 -0.20 0.00 -1.50 0.00 0.00 178.83 177.10 3pcb h ARG 166 N 0.63 0.00 -0.31 1.46 3.08 -0.98 -3.08 114.38 115.17 3pcb h ARG 166 Ca 0.36 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.33 3pcb h ARG 166 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3pcb h ARG 166 CO -0.13 0.20 -0.15 0.00 -1.07 0.00 0.00 179.97 178.82 3pcb h ARG 167 N 0.00 0.54 0.00 0.04 3.08 -1.07 -2.87 114.38 114.10 3pcb h ARG 167 Ca -0.00 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 3pcb h ARG 167 Cb 0.67 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 3pcb h ARG 167 CO 0.03 0.68 -0.08 0.93 -1.07 0.00 0.00 179.97 180.45 3pcb h GLU 168 N 0.50 0.00 0.00 0.04 5.08 -1.58 -1.94 114.58 116.67 3pcb h GLU 168 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3pcb h GLU 168 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3pcb h GLU 168 CO 0.03 0.08 0.00 1.79 -1.00 0.00 0.00 179.01 179.92 3pcb h THR 169 N 0.00 0.00 -0.01 1.13 1.35 -1.65 -2.59 112.91 111.13 3pcb h THR 169 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 3pcb h THR 169 Cb 0.24 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 3pcb h THR 169 CO 0.01 0.00 -0.49 0.18 -0.25 0.00 0.00 175.52 174.97 3pcb n LEU 170 N -2.59 1.53 -4.62 3.87 4.77 -0.73 -4.80 117.00 114.43 3pcb n LEU 170 Ca 0.00 -0.54 -0.40 0.00 -0.03 0.00 0.00 56.01 55.04 3pcb n LEU 170 Cb 0.17 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 3pcb n LEU 170 CO 0.19 0.30 0.20 -0.63 -1.33 0.00 0.00 177.39 176.11 3pcb s ILE 171 N -2.58 5.10 0.28 -0.08 1.01 -0.98 -1.54 121.20 122.41 3pcb s ILE 171 Ca 0.18 0.81 -0.28 0.00 0.00 0.00 0.00 60.65 61.36 3pcb s ILE 171 Cb 0.18 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.76 3pcb s ILE 171 CO 0.60 0.12 0.97 0.00 0.00 0.00 0.00 174.94 176.63 3pcb s ALA 172 N 2.15 3.29 -0.34 9.38 0.00 0.30 -4.85 121.76 131.69 3pcb s ALA 172 Ca 0.20 0.64 -0.18 0.00 0.00 0.00 0.00 51.96 52.62 3pcb s ALA 172 Cb -0.16 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 3pcb s ALA 172 CO 0.09 0.12 0.51 0.15 0.00 0.00 0.00 175.76 176.63 3pcb s LYS 173 N -1.58 3.67 0.26 0.00 1.02 -1.04 -1.04 119.74 121.03 3pcb s LYS 173 Ca 0.45 -0.12 -0.30 0.00 0.02 0.00 0.00 55.97 56.03 3pcb s LYS 173 Cb -0.24 -3.79 -0.10 0.00 -0.52 0.00 0.00 37.83 33.17 3pcb s LYS 173 CO 0.30 -0.60 1.47 0.50 -0.92 0.00 0.00 175.35 176.10 3pcb s ARG 174 N 2.37 4.24 0.16 1.68 3.52 -1.26 -1.43 118.95 128.23 3pcb s ARG 174 Ca 0.19 2.35 -0.02 0.00 -0.13 0.00 0.00 55.73 58.11 3pcb s ARG 174 Cb -0.15 -3.10 0.01 0.00 -1.56 0.00 0.00 34.95 30.15 3pcb s ARG 174 CO 0.13 -0.46 0.25 0.00 -0.81 0.00 0.00 175.30 174.41 3pcb s GLU 176 N -2.25 0.74 -0.28 0.00 2.56 -1.26 -0.70 118.70 117.51 3pcb s GLU 176 Ca 0.11 -0.47 -0.01 0.00 0.00 0.00 0.00 54.97 54.60 3pcb s GLU 176 Cb -0.01 -0.69 0.09 0.00 2.00 0.00 0.00 34.13 35.51 3pcb s GLU 176 CO 0.08 0.18 0.06 0.08 -0.56 0.00 0.00 175.26 175.10 3pcb s VAL 177 N -0.51 0.98 -1.11 3.70 1.01 0.57 -4.75 120.40 120.29 3pcb s VAL 177 Ca 0.01 -1.27 -0.02 0.00 0.00 0.00 0.00 61.98 60.70 3pcb s VAL 177 Cb -0.05 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3pcb s VAL 177 CO 0.00 -0.51 0.95 0.47 0.00 0.00 0.00 175.10 176.01 3pcb n ASP 178 N 4.83 -3.83 -4.03 3.32 8.00 -1.26 -1.75 116.55 121.82 3pcb n ASP 178 Ca -0.04 -0.64 -0.32 0.00 0.71 0.00 0.00 54.79 54.49 3pcb n ASP 178 Cb 0.43 -5.06 0.00 0.00 -0.02 0.00 0.00 41.12 36.48 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 -1.17 -0.46 3.12 0.44 0.00 -1.26 -4.95 105.19 100.91 3pcb n GLY 179 Ca -0.20 0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -6.72 1.16 -0.05 1.61 2.47 -0.72 -5.10 119.74 112.39 3pcb s LYS 180 Ca 0.64 -0.55 -0.30 0.00 -1.56 0.00 0.00 55.97 54.21 3pcb s LYS 180 Cb -0.34 -1.13 -0.05 0.00 -1.46 0.00 0.00 37.83 34.85 3pcb s LYS 180 CO 0.87 0.31 1.57 0.99 0.16 0.00 0.00 175.35 179.25 3pcb s THR 181 N -0.40 3.64 0.31 3.43 2.01 -1.26 0.21 115.64 123.58 3pcb s THR 181 Ca 0.05 0.84 0.06 0.00 0.31 0.00 0.00 61.69 62.95 3pcb s THR 181 Cb -0.06 -3.54 -0.06 0.00 0.01 0.00 0.00 72.50 68.85 3pcb s THR 181 CO -0.00 -0.06 -0.02 0.00 -0.69 0.00 0.00 174.62 173.85 3pcb s ALA 182 N 3.64 2.44 -0.12 7.40 0.00 0.12 -0.91 121.76 134.33 3pcb s ALA 182 Ca 0.70 -1.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.61 3pcb s ALA 182 Cb -0.32 0.32 0.05 0.00 0.00 0.00 0.00 23.12 23.17 3pcb s ALA 182 CO 0.27 -0.14 0.28 0.71 0.00 0.00 0.00 175.76 176.88 3pcb s TYR 183 N -3.06 -0.40 -0.25 0.00 2.02 -0.04 -1.20 117.35 114.42 3pcb s TYR 183 Ca 0.32 0.91 -0.09 0.00 -0.37 0.00 0.00 57.07 57.84 3pcb s TYR 183 Cb 0.06 0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.66 3pcb s TYR 183 CO 0.14 -0.28 0.13 0.50 -1.57 0.00 0.00 175.55 174.47 3pcb s ARG 184 N 1.48 3.85 -0.29 -0.62 3.52 -0.51 -1.96 118.95 124.41 3pcb s ARG 184 Ca -0.08 -0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.17 3pcb s ARG 184 Cb -0.10 -3.47 0.08 0.00 -1.56 0.00 0.00 34.95 29.89 3pcb s ARG 184 CO -0.09 -0.12 -0.01 0.12 -0.81 0.00 0.00 175.30 174.39 3pcb s PHE 185 N 1.51 3.09 -0.15 5.12 5.36 0.12 -2.49 117.98 130.53 3pcb s PHE 185 Ca 0.06 -2.40 -0.11 0.00 -0.96 0.00 0.00 56.93 53.52 3pcb s PHE 185 Cb -0.15 -2.23 -0.05 0.00 -0.34 0.00 0.00 43.02 40.26 3pcb s PHE 185 CO 0.07 -0.88 0.20 -0.51 -1.46 0.00 0.00 175.22 172.63 3pcb s ASP 186 N 1.15 6.37 -0.16 6.13 1.01 -1.26 -3.81 116.67 126.09 3pcb s ASP 186 Ca 0.02 0.43 -0.05 0.00 0.71 0.00 0.00 52.55 53.65 3pcb s ASP 186 Cb -0.19 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 3pcb s ASP 186 CO -0.09 0.23 0.02 -0.63 0.21 0.00 0.00 175.17 174.91 3pcb s ILE 187 N -0.08 4.45 -0.29 0.77 1.01 -0.22 -4.97 121.20 121.87 3pcb s ILE 187 Ca 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 60.65 60.62 3pcb s ILE 187 Cb -0.12 -2.97 0.05 0.00 0.01 0.00 0.00 42.46 39.43 3pcb s ILE 187 CO 0.02 0.50 -0.03 -0.13 0.00 0.00 0.00 174.94 175.30 3pcb s ARG 188 N 0.15 2.35 0.26 2.79 0.52 -1.26 -1.45 118.95 122.31 3pcb s ARG 188 Ca 0.02 -1.31 -0.02 0.00 -0.52 0.00 0.00 55.73 53.90 3pcb s ARG 188 Cb -0.13 -3.09 0.34 0.00 0.52 0.00 0.00 34.95 32.59 3pcb s ARG 188 CO 0.01 -0.61 1.76 0.82 0.02 0.00 0.00 175.30 177.30 3pcb h ILE 189 N 6.57 1.24 -3.00 1.52 2.04 -1.59 0.22 117.51 124.52 3pcb h ILE 189 Ca -0.20 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 64.57 3pcb h ILE 189 Cb 1.05 0.89 -0.18 0.00 -0.74 0.00 0.00 36.82 37.84 3pcb h ILE 189 CO 0.51 0.35 -0.15 -1.58 0.00 0.00 0.00 178.15 177.29 3pcb s GLN 190 N -4.97 0.85 1.66 2.37 0.74 -1.26 -4.76 119.66 114.28 3pcb s GLN 190 Ca -0.09 -0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.02 3pcb s GLN 190 Cb 0.15 0.38 0.00 0.00 1.10 0.00 0.00 33.01 34.64 3pcb s GLN 190 CO 0.81 -0.28 0.00 0.41 -0.55 0.00 0.00 175.29 175.68 3pcb n GLY 191 N 0.73 0.18 3.70 2.59 0.00 -1.26 -4.17 105.19 106.95 3pcb n GLY 191 Ca -0.19 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3pcb n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcb s GLU 192 N 0.00 4.18 -0.96 1.61 2.12 -1.26 -1.68 118.70 122.71 3pcb s GLU 192 Ca 0.00 2.43 0.00 0.00 0.36 0.00 0.00 54.97 57.76 3pcb s GLU 192 Cb 0.00 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.95 3pcb s GLU 192 CO 0.00 -0.73 0.00 0.41 -0.54 0.00 0.00 175.26 174.40 3pcb n GLY 193 N 4.00 1.06 3.59 -1.50 0.00 -1.26 -4.94 105.19 106.14 3pcb n GLY 193 Ca 0.16 -0.52 -0.54 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.56 0.97 -2.20 1.61 2.13 -0.68 -4.66 120.64 115.26 3pcb n GLU 194 Ca -0.09 0.35 -0.37 0.00 0.66 0.00 0.00 57.16 57.71 3pcb n GLU 194 Cb 0.32 -1.98 -0.00 0.00 0.27 0.00 0.00 31.44 30.05 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 0.73 2.98 0.23 6.31 2.01 0.07 -4.97 115.64 122.99 3pcb s THR 195 Ca 0.87 0.74 -0.30 0.00 0.31 0.00 0.00 61.69 63.31 3pcb s THR 195 Cb -1.02 -3.37 -0.09 0.00 0.01 0.00 0.00 72.50 68.03 3pcb s THR 195 CO 0.50 -0.01 1.23 -0.69 -0.69 0.00 0.00 174.62 174.97 3pcb s VAL 196 N -1.51 3.31 -0.02 3.82 1.01 -1.26 -4.96 120.40 120.79 3pcb s VAL 196 Ca 0.64 1.16 0.05 0.00 0.00 0.00 0.00 61.98 63.83 3pcb s VAL 196 Cb -0.30 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 3pcb s VAL 196 CO 0.37 0.21 -0.18 -0.36 0.00 0.00 0.00 175.10 175.13 3pcb s PHE 197 N -0.35 1.68 0.25 5.22 0.08 -1.26 -4.66 117.98 118.93 3pcb s PHE 197 Ca 0.52 -0.34 0.07 0.00 0.12 0.00 0.00 56.93 57.29 3pcb s PHE 197 Cb -0.35 -1.09 -0.03 0.00 -0.57 0.00 0.00 43.02 40.98 3pcb s PHE 197 CO 0.40 -0.05 0.22 -0.06 -0.10 0.00 0.00 175.22 175.64 3pcb s PHE 198 N -0.36 3.17 -0.07 0.36 0.08 0.12 -5.01 117.98 116.28 3pcb s PHE 198 Ca 0.05 -0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.03 3pcb s PHE 198 Cb -0.08 -1.43 0.02 0.00 -0.57 0.00 0.00 43.02 40.95 3pcb s PHE 198 CO -0.00 0.51 -0.11 0.34 -0.10 0.00 0.00 175.22 175.85 3pcb s ASP 199 N -3.86 1.79 0.00 1.36 2.15 -1.26 -4.37 116.67 112.48 3pcb s ASP 199 Ca 0.33 -0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.02 3pcb s ASP 199 Cb -0.08 -0.81 0.00 0.00 -0.30 0.00 0.00 42.92 41.73 3pcb s ASP 199 CO 0.26 0.00 0.00 2.22 -0.17 0.00 0.00 175.17 177.48