#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcj s ILE 2 N 0.00 5.05 -0.08 4.25 -1.09 -1.26 -5.06 121.20 123.01 3pcj s ILE 2 Ca 0.00 1.37 0.05 0.00 -2.23 0.00 0.00 60.65 59.84 3pcj s ILE 2 Cb 0.00 -4.01 -0.01 0.00 -1.58 0.00 0.00 42.46 36.86 3pcj s ILE 2 CO 0.00 0.22 -0.24 -1.61 -1.23 0.00 0.00 174.94 172.08 3pcj s GLU 3 N 1.03 2.81 0.33 2.79 0.41 -1.26 -5.14 118.70 119.67 3pcj s GLU 3 Ca 0.35 -0.89 0.05 0.00 -0.41 0.00 0.00 54.97 54.07 3pcj s GLU 3 Cb -0.17 -2.24 0.05 0.00 -1.78 0.00 0.00 34.13 30.00 3pcj s GLU 3 CO 0.16 0.28 0.45 1.28 -0.49 0.00 0.00 175.26 176.93 3pcj n LEU 4 N 3.25 0.00 -4.76 1.80 4.32 -1.26 -5.05 117.00 115.30 3pcj n LEU 4 Ca -0.18 -1.45 -0.41 0.00 -0.02 0.00 0.00 56.01 53.95 3pcj n LEU 4 Cb 0.52 -0.23 -0.03 0.00 -1.62 0.00 0.00 43.42 42.07 3pcj n LEU 4 CO 0.27 -0.61 0.99 -0.76 -1.22 0.00 0.00 177.39 176.05 3pcj s LEU 5 N 0.00 4.43 0.29 2.23 1.43 -1.26 -4.95 118.68 120.85 3pcj s LEU 5 Ca 0.34 2.57 -0.29 0.00 -1.03 0.00 0.00 54.13 55.72 3pcj s LEU 5 Cb -0.03 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.46 3pcj s LEU 5 CO 0.22 -0.53 1.26 -2.16 0.23 0.00 0.00 176.35 175.37 3pcj s PRO 6 N -1.04 4.43 0.58 1.29 0.04 -1.26 -4.99 135.00 134.05 3pcj s PRO 6 Ca 0.53 2.09 -0.19 0.00 0.04 0.00 0.00 61.00 63.46 3pcj s PRO 6 Cb -0.39 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 3pcj s PRO 6 CO 0.46 -0.11 1.20 -2.00 0.04 0.00 0.00 177.00 176.59 3pcj s GLU 7 N -1.31 3.05 0.21 4.56 2.12 -1.26 -4.93 118.70 121.13 3pcj s GLU 7 Ca 0.50 1.80 -0.31 0.00 0.36 0.00 0.00 54.97 57.32 3pcj s GLU 7 Cb -0.37 -1.95 -0.11 0.00 0.26 0.00 0.00 34.13 31.96 3pcj s GLU 7 CO 0.47 -1.14 1.58 0.99 -0.54 0.00 0.00 175.26 176.62 3pcj s THR 8 N -1.61 2.43 0.43 -1.70 2.01 -1.26 -4.93 115.64 111.01 3pcj s THR 8 Ca 0.76 0.33 -0.25 0.00 0.31 0.00 0.00 61.69 62.84 3pcj s THR 8 Cb -0.30 -3.21 -0.08 0.00 0.01 0.00 0.00 72.50 68.92 3pcj s THR 8 CO 0.32 0.03 1.30 -2.84 -0.69 0.00 0.00 174.62 172.75 3pcj s PRO 9 N 0.62 3.83 0.66 4.92 0.02 -1.26 -5.03 135.00 138.77 3pcj s PRO 9 Ca 0.68 2.14 -0.11 0.00 0.02 0.00 0.00 61.00 63.73 3pcj s PRO 9 Cb -0.45 -2.66 -0.02 0.00 0.02 0.00 0.00 34.50 31.40 3pcj s PRO 9 CO 0.36 -0.60 1.06 0.45 -0.33 0.00 0.00 177.00 177.94 3pcj s SER 10 N -0.81 5.87 0.03 2.53 0.15 -1.26 -5.09 113.70 115.11 3pcj s SER 10 Ca 0.59 1.29 -0.14 0.00 0.70 0.00 0.00 55.95 58.40 3pcj s SER 10 Cb -0.38 -2.23 0.02 0.00 -1.71 0.00 0.00 66.02 61.73 3pcj s SER 10 CO 0.48 -1.09 0.31 -1.10 1.20 0.00 0.00 173.24 173.04 3pcj s GLN 11 N -5.26 0.77 0.61 5.44 -1.52 -1.15 -4.91 119.66 113.64 3pcj s GLN 11 Ca 0.56 -0.42 -0.18 0.00 -1.95 0.00 0.00 55.36 53.38 3pcj s GLN 11 Cb -0.11 0.34 -0.05 0.00 -0.22 0.00 0.00 33.01 32.96 3pcj s GLN 11 CO 0.53 -0.24 0.87 -2.37 -0.25 0.00 0.00 175.29 173.83 3pcj n THR 12 N 0.77 3.49 0.18 -0.19 5.66 -1.21 -4.79 114.28 118.19 3pcj n THR 12 Ca -0.19 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.36 3pcj n THR 12 Cb 0.58 -1.05 0.27 0.00 -1.55 0.00 0.00 70.33 68.59 3pcj n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pcj h ALA 13 N 0.37 0.90 0.00 1.79 0.00 -1.73 -3.50 119.26 117.09 3pcj h ALA 13 Ca -0.48 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3pcj h ALA 13 Cb 1.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3pcj h ALA 13 CO 0.50 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.63 3pcj n GLY 14 N 0.51 -1.03 0.17 0.00 0.00 -1.26 -4.14 105.19 99.44 3pcj n GLY 14 Ca 0.01 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.43 3pcj n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pcj h PRO 15 N 0.00 0.00 -0.79 1.61 0.13 -1.93 -3.24 132.00 127.78 3pcj h PRO 15 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 3pcj h PRO 15 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 3pcj h PRO 15 CO 0.00 0.43 0.29 0.66 -0.23 0.00 0.00 178.00 179.15 3pcj n TYR 16 N -3.52 2.43 0.11 1.56 4.01 -1.26 -4.54 117.16 115.94 3pcj n TYR 16 Ca -0.00 -1.20 0.20 0.00 -0.16 0.00 0.00 57.90 56.74 3pcj n TYR 16 Cb 0.56 -0.69 0.75 0.00 -0.31 0.00 0.00 39.34 39.65 3pcj n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pcj h VAL 17 N 2.49 0.37 -0.68 -0.72 3.04 -1.71 -1.54 116.25 117.50 3pcj h VAL 17 Ca 0.28 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.95 3pcj h VAL 17 Cb 2.32 0.66 -0.03 0.00 -2.01 0.00 0.00 31.29 32.23 3pcj h VAL 17 CO 0.74 0.00 0.33 0.45 -1.01 0.00 0.00 177.57 178.08 3pcj h HIS 18 N 0.00 0.95 -0.90 3.17 3.86 -1.85 -0.50 115.15 119.88 3pcj h HIS 18 Ca 0.18 -0.03 0.16 0.00 -1.16 0.00 0.00 60.37 59.52 3pcj h HIS 18 Cb 1.03 -0.30 -0.07 0.00 1.06 0.00 0.00 27.41 29.13 3pcj h HIS 18 CO 0.00 0.69 0.58 -0.84 0.86 0.00 0.00 177.93 179.22 3pcj h ILE 19 N 0.96 0.79 0.00 2.45 3.07 -1.50 0.36 117.51 123.63 3pcj h ILE 19 Ca 0.24 -0.22 -0.35 0.00 1.55 0.00 0.00 64.86 66.07 3pcj h ILE 19 Cb 0.09 0.10 -0.07 0.00 -0.27 0.00 0.00 36.82 36.68 3pcj h ILE 19 CO -0.03 0.12 -2.26 0.61 -1.05 0.00 0.00 178.15 175.53 3pcj n GLY 20 N -1.44 -1.00 0.01 0.16 0.00 -0.85 -4.54 105.19 97.53 3pcj n GLY 20 Ca 0.18 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.93 3pcj n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pcj n LEU 21 N -2.80 0.18 -2.98 0.99 4.77 -0.26 -4.82 117.00 112.07 3pcj n LEU 21 Ca -0.30 -0.53 -0.15 0.00 -0.03 0.00 0.00 56.01 55.00 3pcj n LEU 21 Cb 1.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.23 3pcj n LEU 21 CO 0.43 0.04 -0.02 0.00 -1.33 0.00 0.00 177.39 176.52 3pcj n ALA 22 N -0.98 0.67 -0.27 -1.18 0.00 0.07 -4.96 120.51 113.88 3pcj n ALA 22 Ca 0.00 -2.49 -0.11 0.00 0.00 0.00 0.00 53.44 50.85 3pcj n ALA 22 Cb 0.04 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 3pcj n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pcj h LEU 23 N 3.54 -1.80 -0.28 0.00 4.07 -1.69 -1.63 115.31 117.52 3pcj h LEU 23 Ca -0.01 0.26 0.03 0.00 0.08 0.00 0.00 57.88 58.24 3pcj h LEU 23 Cb 0.99 0.77 -0.05 0.00 1.08 0.00 0.00 40.66 43.45 3pcj h LEU 23 CO 0.37 -0.26 -0.36 -0.08 -1.08 0.00 0.00 178.44 177.02 3pcj h GLU 24 N -0.14 -0.24 -0.98 1.13 4.81 -1.85 -0.13 114.58 117.19 3pcj h GLU 24 Ca 0.11 0.02 0.34 0.00 -0.13 0.00 0.00 59.36 59.69 3pcj h GLU 24 Cb 0.42 0.05 -0.17 0.00 0.63 0.00 0.00 28.75 29.69 3pcj h GLU 24 CO -0.70 -0.16 0.42 0.00 -0.73 0.00 0.00 179.01 177.83 3pcj h ALA 25 N -0.47 1.80 0.00 2.92 0.00 -1.67 3.51 119.26 125.35 3pcj h ALA 25 Ca 0.05 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3pcj h ALA 25 Cb 0.38 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3pcj h ALA 25 CO -0.40 -0.70 -0.10 0.00 0.00 0.00 0.00 179.25 178.06 3pcj h ALA 26 N 1.92 1.30 -0.26 0.00 0.00 -0.14 -3.46 119.26 118.62 3pcj h ALA 26 Ca 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.55 3pcj h ALA 26 Cb 1.73 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3pcj h ALA 26 CO -0.73 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.05 3pcj n GLY 27 N -0.77 1.09 3.46 0.00 0.00 1.16 -4.99 105.19 105.14 3pcj n GLY 27 Ca -0.02 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 3pcj n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pcj s ASN 28 N -2.47 3.50 0.66 1.61 0.01 -0.92 -5.03 114.94 112.30 3pcj s ASN 28 Ca 0.00 -1.02 -0.17 0.00 -0.71 0.00 0.00 52.86 50.96 3pcj s ASN 28 Cb 0.00 -0.29 -0.04 0.00 0.41 0.00 0.00 41.25 41.34 3pcj s ASN 28 CO 0.00 0.03 0.75 -0.81 -1.51 0.00 0.00 177.10 175.56 3pcj n PRO 29 N -0.56 0.55 -3.52 -0.60 -0.04 -1.26 -3.79 135.00 125.78 3pcj n PRO 29 Ca -0.06 0.23 -0.23 0.00 -0.04 0.00 0.00 63.50 63.40 3pcj n PRO 29 Cb 0.60 -1.99 0.02 0.00 -0.04 0.00 0.00 33.50 32.09 3pcj n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3pcj s THR 30 N -1.74 1.84 0.50 0.52 -4.23 -1.26 -4.72 115.64 106.55 3pcj s THR 30 Ca 0.71 -1.28 0.07 0.00 -1.18 0.00 0.00 61.69 60.01 3pcj s THR 30 Cb -0.38 -2.12 0.03 0.00 1.34 0.00 0.00 72.50 71.36 3pcj s THR 30 CO 0.52 0.00 0.48 -0.13 -0.54 0.00 0.00 174.62 174.95 3pcj s ARG 31 N -4.45 2.37 0.14 3.99 0.52 -1.26 -5.04 118.95 115.22 3pcj s ARG 31 Ca 0.46 -1.76 -0.25 0.00 -0.52 0.00 0.00 55.73 53.65 3pcj s ARG 31 Cb -0.04 -2.32 -0.00 0.00 0.52 0.00 0.00 34.95 33.11 3pcj s ARG 31 CO 0.29 -0.52 1.60 -0.44 0.02 0.00 0.00 175.30 176.25 3pcj h ASP 32 N 0.72 -1.06 -3.30 0.23 3.32 -2.07 -3.40 116.42 110.87 3pcj h ASP 32 Ca -0.37 0.16 -0.66 0.00 0.02 0.00 0.00 57.03 56.18 3pcj h ASP 32 Cb 1.29 0.46 -0.29 0.00 0.22 0.00 0.00 39.33 41.01 3pcj h ASP 32 CO 0.53 -0.35 -0.78 -1.10 -1.72 0.00 0.00 179.24 175.82 3pcj s GLN 33 N -5.99 3.28 0.06 3.56 -0.21 -1.26 -5.12 119.66 113.99 3pcj s GLN 33 Ca -0.15 -0.71 0.07 0.00 0.02 0.00 0.00 55.36 54.58 3pcj s GLN 33 Cb 0.11 -2.70 -0.03 0.00 1.00 0.00 0.00 33.01 31.40 3pcj s GLN 33 CO 0.66 0.02 -0.18 -1.21 -2.12 0.00 0.00 175.29 172.46 3pcj s GLU 34 N 0.84 1.12 -0.42 2.91 0.41 -1.26 -5.10 118.70 117.20 3pcj s GLU 34 Ca -0.04 -0.95 -0.18 0.00 -0.41 0.00 0.00 54.97 53.39 3pcj s GLU 34 Cb -0.15 -1.23 0.02 0.00 -1.78 0.00 0.00 34.13 30.99 3pcj s GLU 34 CO 0.00 0.30 0.51 0.42 -0.49 0.00 0.00 175.26 176.00 3pcj s ILE 35 N -0.97 5.00 0.00 -1.63 1.01 -1.26 -5.01 121.20 118.34 3pcj s ILE 35 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3pcj s ILE 35 Cb -0.09 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.31 3pcj s ILE 35 CO 0.02 -0.44 0.00 1.87 0.00 0.00 0.00 174.94 176.39 3pcj n TRP 36 N 5.81 0.00 0.50 3.97 -0.00 -1.26 -4.56 117.44 121.90 3pcj n TRP 36 Ca -0.05 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.46 3pcj n TRP 36 Cb 0.48 0.00 0.10 0.00 -0.00 0.00 0.00 31.31 31.89 3pcj n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pcj n ASN 37 N -0.53 2.27 -3.98 5.87 6.94 -0.13 -2.07 115.26 123.63 3pcj n ASN 37 Ca 0.00 -2.25 -0.30 0.00 -0.02 0.00 0.00 54.58 52.01 3pcj n ASN 37 Cb 0.00 -0.55 -0.15 0.00 -2.36 0.00 0.00 39.78 36.72 3pcj n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pcj s ARG 38 N -1.45 1.68 0.24 -3.83 6.06 -1.26 -0.44 118.95 119.95 3pcj s ARG 38 Ca 0.14 -2.19 0.19 0.00 -2.50 0.00 0.00 55.73 51.37 3pcj s ARG 38 Cb 0.11 -3.21 0.05 0.00 0.06 0.00 0.00 34.95 31.96 3pcj s ARG 38 CO 0.04 -1.02 1.22 -0.07 -2.50 0.00 0.00 175.30 172.97 3pcj h LEU 39 N 7.11 0.00 -8.33 -0.88 4.07 -0.22 -3.46 115.31 113.60 3pcj h LEU 39 Ca -0.06 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.34 3pcj h LEU 39 Cb 0.96 0.00 -0.30 0.00 1.08 0.00 0.00 40.66 42.40 3pcj h LEU 39 CO 0.59 0.30 -0.84 0.00 -1.08 0.00 0.00 178.44 177.41 3pcj s ALA 40 N -3.10 1.52 0.33 1.53 0.00 -1.15 -0.02 121.76 120.87 3pcj s ALA 40 Ca 0.02 -0.77 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 3pcj s ALA 40 Cb 0.08 -0.41 -0.06 0.00 0.00 0.00 0.00 23.12 22.73 3pcj s ALA 40 CO 0.76 0.35 0.64 0.15 0.00 0.00 0.00 175.76 177.67 3pcj s LYS 41 N -0.34 3.72 0.44 0.00 1.02 0.19 -4.81 119.74 119.96 3pcj s LYS 41 Ca 0.05 0.23 0.28 0.00 0.02 0.00 0.00 55.97 56.56 3pcj s LYS 41 Cb -0.08 -2.54 1.37 0.00 -0.52 0.00 0.00 37.83 36.06 3pcj s LYS 41 CO -0.00 0.12 1.66 -1.35 -0.92 0.00 0.00 175.35 174.86 3pcj h PRO 42 N 1.61 0.14 -0.84 -1.68 0.11 -2.00 0.16 132.00 129.50 3pcj h PRO 42 Ca -0.47 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 3pcj h PRO 42 Cb 1.19 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.16 3pcj h PRO 42 CO 0.65 0.09 0.22 -0.40 -0.21 0.00 0.00 178.00 178.36 3pcj n ASP 43 N -4.63 4.01 -4.77 -2.05 5.75 -1.26 -4.90 116.55 108.71 3pcj n ASP 43 Ca 0.34 -2.90 -0.39 0.00 -0.01 0.00 0.00 54.79 51.84 3pcj n ASP 43 Cb 1.32 -0.69 -0.06 0.00 -1.03 0.00 0.00 41.12 40.67 3pcj n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcj s ALA 44 N -2.32 3.48 0.53 2.12 0.00 0.55 -5.03 121.76 121.11 3pcj s ALA 44 Ca 0.40 0.11 -0.21 0.00 0.00 0.00 0.00 51.96 52.26 3pcj s ALA 44 Cb 0.32 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 3pcj s ALA 44 CO 0.10 0.21 1.25 -1.25 0.00 0.00 0.00 175.76 176.07 3pcj s PRO 45 N -0.47 3.28 0.00 0.00 0.04 -1.26 -4.87 135.00 131.71 3pcj s PRO 45 Ca 0.32 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.33 3pcj s PRO 45 Cb -0.19 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3pcj s PRO 45 CO 0.20 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.65 3pcj n GLY 46 N 0.58 1.05 3.54 0.56 0.00 -1.26 -4.55 105.19 105.10 3pcj n GLY 46 Ca 0.10 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 3pcj n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcj s GLU 47 N -1.20 3.38 -0.06 1.61 2.12 -1.26 -4.98 118.70 118.30 3pcj s GLU 47 Ca 0.00 -0.16 -0.30 0.00 0.36 0.00 0.00 54.97 54.87 3pcj s GLU 47 Cb 0.00 -3.95 -0.05 0.00 0.26 0.00 0.00 34.13 30.39 3pcj s GLU 47 CO 0.00 -1.13 1.54 -1.01 -0.54 0.00 0.00 175.26 174.12 3pcj s HIS 48 N 3.27 2.28 0.28 5.30 3.76 -1.26 -1.61 115.29 127.31 3pcj s HIS 48 Ca 0.29 0.44 0.06 0.00 -0.15 0.00 0.00 55.06 55.70 3pcj s HIS 48 Cb -0.12 -3.80 -0.06 0.00 1.11 0.00 0.00 32.58 29.70 3pcj s HIS 48 CO 0.22 -3.24 -0.05 0.96 -0.85 0.00 0.00 174.74 171.77 3pcj s ILE 49 N 3.66 1.62 -0.11 0.60 -4.36 0.49 -4.59 121.20 118.51 3pcj s ILE 49 Ca 0.68 -2.12 0.03 0.00 -0.26 0.00 0.00 60.65 58.98 3pcj s ILE 49 Cb -0.31 -2.46 -0.01 0.00 1.25 0.00 0.00 42.46 40.93 3pcj s ILE 49 CO 0.26 -0.29 -0.20 -0.22 0.24 0.00 0.00 174.94 174.73 3pcj s LEU 50 N -3.44 2.33 -0.13 0.37 2.96 -0.28 -2.54 118.68 117.94 3pcj s LEU 50 Ca 0.30 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.74 3pcj s LEU 50 Cb 0.04 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.23 3pcj s LEU 50 CO 0.12 0.17 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.42 3pcj s LEU 51 N 0.32 2.71 0.09 -0.68 1.43 -0.58 -1.08 118.68 120.89 3pcj s LEU 51 Ca -0.15 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 3pcj s LEU 51 Cb -0.17 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 3pcj s LEU 51 CO 0.08 0.16 0.15 -1.48 0.23 0.00 0.00 176.35 175.49 3pcj s LEU 52 N 0.35 1.60 0.00 1.79 -0.00 -0.99 0.28 118.68 121.70 3pcj s LEU 52 Ca -0.11 -0.77 0.00 0.00 -0.00 0.00 0.00 54.13 53.25 3pcj s LEU 52 Cb -0.16 0.85 0.00 0.00 -0.00 0.00 0.00 46.19 46.89 3pcj s LEU 52 CO 0.06 -0.72 0.00 0.61 -0.00 0.00 0.00 176.35 176.29 3pcj n GLY 53 N -0.05 0.81 3.47 -3.48 0.00 -1.04 -0.72 105.19 104.18 3pcj n GLY 53 Ca -0.13 -0.90 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 3pcj n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3pcj s GLN 54 N -2.00 1.66 -0.11 1.61 -0.21 -1.26 -1.50 119.66 117.86 3pcj s GLN 54 Ca 0.00 -1.81 0.03 0.00 0.02 0.00 0.00 55.36 53.60 3pcj s GLN 54 Cb 0.00 -1.56 0.01 0.00 1.00 0.00 0.00 33.01 32.46 3pcj s GLN 54 CO 0.00 0.20 -0.20 0.08 -2.12 0.00 0.00 175.29 173.25 3pcj s VAL 55 N -2.69 1.79 0.12 1.09 1.01 -1.26 -0.78 120.40 119.68 3pcj s VAL 55 Ca 0.30 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3pcj s VAL 55 Cb -0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3pcj s VAL 55 CO 0.14 0.50 -0.09 -0.31 0.00 0.00 0.00 175.10 175.33 3pcj s TYR 56 N 0.64 2.73 0.57 5.22 1.51 0.29 -0.50 117.35 127.82 3pcj s TYR 56 Ca -0.13 -0.16 0.09 0.00 -1.01 0.00 0.00 57.07 55.86 3pcj s TYR 56 Cb -0.16 -1.41 0.08 0.00 -0.11 0.00 0.00 41.96 40.36 3pcj s TYR 56 CO 0.03 0.44 0.79 0.16 -1.11 0.00 0.00 175.55 175.86 3pcj s ASP 57 N -2.32 5.09 0.63 2.29 1.47 -0.03 -1.47 116.67 122.33 3pcj s ASP 57 Ca 0.22 -0.77 0.36 0.00 1.18 0.00 0.00 52.55 53.54 3pcj s ASP 57 Cb -0.11 0.19 2.04 0.00 -0.34 0.00 0.00 42.92 44.70 3pcj s ASP 57 CO 0.14 -1.33 2.24 1.23 0.68 0.00 0.00 175.17 178.14 3pcj h GLY 58 N 0.16 0.00 -1.48 2.12 0.00 -1.88 0.40 103.07 102.39 3pcj h GLY 58 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3pcj h GLY 58 CO 0.41 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.65 3pcj n ASN 59 N -3.40 2.50 -0.66 0.19 3.02 -1.26 -4.73 115.26 110.91 3pcj n ASN 59 Ca -0.02 -1.83 -0.07 0.00 -0.03 0.00 0.00 54.58 52.63 3pcj n ASN 59 Cb 0.15 -0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3pcj n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcj n GLY 60 N 1.31 0.52 3.88 7.41 0.00 0.13 -5.02 105.19 113.41 3pcj n GLY 60 Ca 0.17 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 3pcj n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pcj s HIS 61 N -2.30 3.59 0.41 1.61 3.76 -1.26 -4.83 115.29 116.27 3pcj s HIS 61 Ca 0.00 0.51 -0.26 0.00 -0.15 0.00 0.00 55.06 55.15 3pcj s HIS 61 Cb 0.00 -1.93 -0.09 0.00 1.11 0.00 0.00 32.58 31.67 3pcj s HIS 61 CO 0.00 0.73 1.38 -0.51 -0.85 0.00 0.00 174.74 175.48 3pcj s LEU 62 N -1.12 4.21 -0.45 0.89 1.43 -1.26 -0.85 118.68 121.52 3pcj s LEU 62 Ca 0.16 2.82 -0.13 0.00 -1.03 0.00 0.00 54.13 55.95 3pcj s LEU 62 Cb -0.12 -3.85 0.08 0.00 0.03 0.00 0.00 46.19 42.32 3pcj s LEU 62 CO 0.06 -0.94 0.35 -0.69 0.23 0.00 0.00 176.35 175.35 3pcj s VAL 63 N -1.21 4.88 -2.26 -1.59 1.01 0.35 -4.86 120.40 116.72 3pcj s VAL 63 Ca 0.57 -1.19 0.27 0.00 0.00 0.00 0.00 61.98 61.63 3pcj s VAL 63 Cb -0.42 -3.94 0.38 0.00 0.00 0.00 0.00 36.38 32.41 3pcj s VAL 63 CO 0.54 -0.56 1.60 0.54 0.00 0.00 0.00 175.10 177.22 3pcj n ARG 64 N 5.10 1.41 -0.15 2.72 1.74 -1.26 -4.19 116.66 122.03 3pcj n ARG 64 Ca -0.12 -0.89 0.07 0.00 -0.77 0.00 0.00 57.85 56.14 3pcj n ARG 64 Cb 0.43 -1.48 0.14 0.00 -1.02 0.00 0.00 32.46 30.53 3pcj n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pcj n ASP 65 N -0.01 2.70 -4.79 0.55 5.68 -1.26 -4.17 116.55 115.24 3pcj n ASP 65 Ca 0.16 -2.67 -0.34 0.00 -0.50 0.00 0.00 54.79 51.44 3pcj n ASP 65 Cb 0.38 -0.33 -0.01 0.00 -1.14 0.00 0.00 41.12 40.03 3pcj n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3pcj s SER 66 N -1.96 5.97 -0.09 -1.12 1.04 -1.26 -4.59 113.70 111.69 3pcj s SER 66 Ca 0.25 1.92 0.02 0.00 0.48 0.00 0.00 55.95 58.62 3pcj s SER 66 Cb 0.21 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.79 3pcj s SER 66 CO 0.05 -1.04 -0.13 0.12 0.98 0.00 0.00 173.24 173.23 3pcj s PHE 67 N -2.16 1.64 -0.00 5.02 5.36 0.19 -2.52 117.98 125.50 3pcj s PHE 67 Ca 0.67 -0.70 0.07 0.00 -0.96 0.00 0.00 56.93 56.00 3pcj s PHE 67 Cb -0.17 -1.22 -0.02 0.00 -0.34 0.00 0.00 43.02 41.27 3pcj s PHE 67 CO 0.29 -0.38 -0.21 -0.51 -1.46 0.00 0.00 175.22 172.95 3pcj s LEU 68 N 0.94 2.07 -0.05 6.12 1.02 0.11 -0.33 118.68 128.55 3pcj s LEU 68 Ca -0.09 -0.41 0.06 0.00 0.02 0.00 0.00 54.13 53.71 3pcj s LEU 68 Cb -0.15 -1.06 -0.01 0.00 0.02 0.00 0.00 46.19 44.99 3pcj s LEU 68 CO 0.00 0.24 -0.23 -1.61 0.02 0.00 0.00 176.35 174.76 3pcj s GLU 69 N -0.66 2.52 0.12 1.70 2.02 -0.45 -1.35 118.70 122.60 3pcj s GLU 69 Ca 0.08 -0.87 0.10 0.00 0.02 0.00 0.00 54.97 54.30 3pcj s GLU 69 Cb -0.08 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 3pcj s GLU 69 CO -0.00 0.43 -0.25 0.14 0.02 0.00 0.00 175.26 175.60 3pcj s VAL 70 N -0.27 2.08 -0.09 2.63 -7.23 -0.23 -1.45 120.40 115.85 3pcj s VAL 70 Ca -0.00 -1.69 -0.03 0.00 -1.81 0.00 0.00 61.98 58.45 3pcj s VAL 70 Cb -0.13 -1.85 0.05 0.00 0.56 0.00 0.00 36.38 35.00 3pcj s VAL 70 CO 0.03 0.04 0.17 0.86 -0.31 0.00 0.00 175.10 175.89 3pcj s TRP 71 N -1.09 -0.20 0.06 2.82 -0.11 -0.33 -2.52 118.94 117.57 3pcj s TRP 71 Ca 0.12 0.63 -0.10 0.00 1.22 0.00 0.00 56.10 57.97 3pcj s TRP 71 Cb -0.10 -0.22 0.00 0.00 -1.50 0.00 0.00 33.47 31.65 3pcj s TRP 71 CO 0.05 -0.27 0.21 1.14 -4.62 0.00 0.00 176.95 173.47 3pcj s GLN 72 N 2.18 0.77 0.55 5.86 -2.07 -0.51 -0.88 119.66 125.57 3pcj s GLN 72 Ca 0.02 -0.74 -0.15 0.00 -1.82 0.00 0.00 55.36 52.67 3pcj s GLN 72 Cb -0.12 0.32 -0.06 0.00 -1.09 0.00 0.00 33.01 32.06 3pcj s GLN 72 CO -0.06 -0.24 1.00 0.00 -1.32 0.00 0.00 175.29 174.68 3pcj s ALA 73 N -3.06 3.04 1.04 2.60 0.00 -1.26 -4.45 121.76 119.67 3pcj s ALA 73 Ca -0.01 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.02 3pcj s ALA 73 Cb 0.01 -3.12 0.07 0.00 0.00 0.00 0.00 23.12 20.08 3pcj s ALA 73 CO -0.07 -0.42 0.29 -0.40 0.00 0.00 0.00 175.76 175.17 3pcj n ASP 74 N -1.95 -0.88 0.28 0.00 5.68 0.24 -4.35 116.55 115.57 3pcj n ASP 74 Ca 0.07 -0.80 0.17 0.00 -0.50 0.00 0.00 54.79 53.72 3pcj n ASP 74 Cb 0.54 -0.25 0.80 0.00 -1.14 0.00 0.00 41.12 41.07 3pcj n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcj h ALA 75 N -2.11 1.08 -0.33 2.12 0.00 -1.80 0.14 119.26 118.36 3pcj h ALA 75 Ca -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3pcj h ALA 75 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3pcj h ALA 75 CO 0.07 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.48 3pcj n ASN 76 N -3.27 1.99 -1.01 0.00 3.02 -1.26 -3.44 115.26 111.29 3pcj n ASN 76 Ca -0.01 -1.92 -0.07 0.00 -0.03 0.00 0.00 54.58 52.55 3pcj n ASN 76 Cb 0.25 -0.22 0.01 0.00 -0.61 0.00 0.00 39.78 39.21 3pcj n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcj n GLY 77 N 1.13 0.20 3.35 7.41 0.00 -0.58 -4.79 105.19 111.91 3pcj n GLY 77 Ca 0.14 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 3pcj n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcj s GLU 78 N -4.68 2.63 -0.33 1.61 2.02 -1.26 -4.67 118.70 114.02 3pcj s GLU 78 Ca 0.06 -0.81 -0.22 0.00 0.02 0.00 0.00 54.97 54.02 3pcj s GLU 78 Cb -0.03 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.92 3pcj s GLU 78 CO 0.07 0.45 0.74 0.71 0.02 0.00 0.00 175.26 177.24 3pcj s TYR 79 N -0.30 3.16 -0.73 1.61 2.02 -1.26 0.79 117.35 122.65 3pcj s TYR 79 Ca 0.01 0.61 -0.17 0.00 -0.37 0.00 0.00 57.07 57.15 3pcj s TYR 79 Cb -0.13 -3.23 0.15 0.00 -0.40 0.00 0.00 41.96 38.35 3pcj s TYR 79 CO 0.03 -0.62 0.80 -0.65 -1.57 0.00 0.00 175.55 173.54 3pcj s GLN 80 N 2.91 3.32 0.22 -0.62 -1.52 -1.26 -4.90 119.66 117.81 3pcj s GLN 80 Ca 0.30 -1.78 0.15 0.00 -1.95 0.00 0.00 55.36 52.08 3pcj s GLN 80 Cb -0.14 -4.46 0.01 0.00 -0.22 0.00 0.00 33.01 28.20 3pcj s GLN 80 CO 0.14 -1.50 1.29 0.38 -0.25 0.00 0.00 175.29 175.34 3pcj h ASP 81 N 8.68 0.00 -0.96 5.90 2.03 -1.97 -3.24 116.42 126.86 3pcj h ASP 81 Ca -0.08 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.73 3pcj h ASP 81 Cb 1.06 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.48 3pcj h ASP 81 CO 1.00 0.52 1.23 0.00 -1.03 0.00 0.00 179.24 180.96 3pcj s ALA 82 N -2.95 2.33 0.13 4.15 0.00 -1.26 -4.94 121.76 119.22 3pcj s ALA 82 Ca 0.02 -1.99 -0.31 0.00 0.00 0.00 0.00 51.96 49.68 3pcj s ALA 82 Cb 0.08 -4.54 -0.10 0.00 0.00 0.00 0.00 23.12 18.56 3pcj s ALA 82 CO 0.76 -4.06 1.62 -0.47 0.00 0.00 0.00 175.76 173.61 3pcj s TYR 83 N 6.85 2.79 -0.28 0.00 5.04 -1.26 -5.00 117.35 125.48 3pcj s TYR 83 Ca 0.55 0.47 -0.16 0.00 -2.44 0.00 0.00 57.07 55.49 3pcj s TYR 83 Cb -0.02 -3.96 0.10 0.00 0.35 0.00 0.00 41.96 38.43 3pcj s TYR 83 CO -0.06 -3.70 0.80 1.21 -1.34 0.00 0.00 175.55 172.46 3pcj s ASN 84 N 1.65 -0.78 0.54 4.32 3.84 -1.26 -5.02 114.94 118.23 3pcj s ASN 84 Ca 0.72 1.26 0.30 0.00 0.21 0.00 0.00 52.86 55.35 3pcj s ASN 84 Cb -0.43 1.32 1.51 0.00 -0.55 0.00 0.00 41.25 43.11 3pcj s ASN 84 CO 0.32 -0.20 2.07 -0.07 -2.79 0.00 0.00 177.10 176.43 3pcj h LEU 85 N 6.61 0.00 -0.80 3.21 3.38 -1.97 -2.01 115.31 123.73 3pcj h LEU 85 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3pcj h LEU 85 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3pcj h LEU 85 CO 0.17 0.09 0.00 -0.33 0.09 0.00 0.00 178.44 178.47 3pcj h GLU 86 N 0.00 0.00 -7.13 1.13 5.08 -2.00 -3.46 114.58 108.20 3pcj h GLU 86 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 3pcj h GLU 86 Cb 0.36 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.71 3pcj h GLU 86 CO 0.01 0.00 0.42 -0.80 -1.00 0.00 0.00 179.01 177.64 3pcj s ASN 87 N -5.85 5.30 0.22 1.42 0.01 -0.76 -4.93 114.94 110.36 3pcj s ASN 87 Ca 0.04 2.19 0.07 0.00 -0.71 0.00 0.00 52.86 54.45 3pcj s ASN 87 Cb 0.07 -2.58 0.19 0.00 0.41 0.00 0.00 41.25 39.35 3pcj s ASN 87 CO 0.59 -1.51 1.51 0.00 -1.51 0.00 0.00 177.10 176.19 3pcj h ALA 88 N 0.68 0.78 -3.33 0.60 0.00 -1.88 -3.44 119.26 112.66 3pcj h ALA 88 Ca -0.49 -0.64 -0.20 0.00 0.00 0.00 0.00 54.91 53.59 3pcj h ALA 88 Cb 1.27 -0.10 -0.27 0.00 0.00 0.00 0.00 17.79 18.69 3pcj h ALA 88 CO 0.55 0.86 -0.54 0.12 0.00 0.00 0.00 179.25 180.23 3pcj s PHE 89 N -3.44 -0.18 -0.07 0.00 5.36 -1.26 0.57 117.98 118.97 3pcj s PHE 89 Ca -0.02 0.44 0.04 0.00 -0.96 0.00 0.00 56.93 56.43 3pcj s PHE 89 Cb 0.12 0.04 -0.00 0.00 -0.34 0.00 0.00 43.02 42.83 3pcj s PHE 89 CO 0.79 -0.10 -0.20 -0.80 -1.46 0.00 0.00 175.22 173.45 3pcj s ASN 90 N 0.28 2.52 0.30 6.13 0.01 0.97 -4.95 114.94 120.19 3pcj s ASN 90 Ca -0.02 -0.43 0.26 0.00 -0.71 0.00 0.00 52.86 51.96 3pcj s ASN 90 Cb -0.03 -0.91 0.93 0.00 0.41 0.00 0.00 41.25 41.65 3pcj s ASN 90 CO -0.01 0.15 1.76 0.28 -1.51 0.00 0.00 177.10 177.77 3pcj h SER 91 N 6.48 0.00 -3.61 -1.22 0.02 -1.77 -3.44 113.55 110.01 3pcj h SER 91 Ca -0.28 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.99 3pcj h SER 91 Cb 1.19 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.56 3pcj h SER 91 CO 0.47 0.00 -0.70 0.12 -1.14 0.00 0.00 176.83 175.59 3pcj s PHE 92 N -3.29 2.91 0.22 3.45 5.36 -1.26 -1.42 117.98 123.95 3pcj s PHE 92 Ca 0.06 -0.02 -0.21 0.00 -0.96 0.00 0.00 56.93 55.81 3pcj s PHE 92 Cb 0.10 -1.64 0.04 0.00 -0.34 0.00 0.00 43.02 41.18 3pcj s PHE 92 CO 0.50 0.37 0.63 0.20 -1.46 0.00 0.00 175.22 175.46 3pcj s GLY 93 N -1.27 -0.25 0.04 13.12 0.00 -1.05 -4.84 107.32 113.07 3pcj s GLY 93 Ca 0.16 -0.04 0.04 0.00 0.00 0.00 0.00 44.72 44.88 3pcj s GLY 93 CO 0.06 -0.05 -0.12 0.50 0.00 0.00 0.00 173.10 173.49 3pcj s ARG 94 N -3.86 0.79 0.21 2.90 0.52 -0.88 -1.07 118.95 117.57 3pcj s ARG 94 Ca 0.08 -0.74 -0.12 0.00 -0.52 0.00 0.00 55.73 54.43 3pcj s ARG 94 Cb -0.03 -0.75 -0.00 0.00 0.52 0.00 0.00 34.95 34.69 3pcj s ARG 94 CO -0.02 0.18 0.41 -0.08 0.02 0.00 0.00 175.30 175.81 3pcj s THR 95 N -0.95 0.03 0.12 0.02 -1.32 -0.46 -0.96 115.64 112.12 3pcj s THR 95 Ca -0.01 -1.30 -0.18 0.00 -1.21 0.00 0.00 61.69 58.98 3pcj s THR 95 Cb -0.08 -1.98 0.05 0.00 -1.51 0.00 0.00 72.50 68.98 3pcj s THR 95 CO 0.01 -0.12 0.46 0.00 -2.21 0.00 0.00 174.62 172.76 3pcj s ALA 96 N -3.98 -1.13 -0.02 11.08 0.00 -1.26 -0.72 121.76 125.73 3pcj s ALA 96 Ca 0.19 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 52.17 3pcj s ALA 96 Cb 0.01 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 3pcj s ALA 96 CO 0.04 -0.66 0.35 0.95 0.00 0.00 0.00 175.76 176.44 3pcj s THR 97 N -3.63 5.13 0.45 0.00 -4.23 -1.05 -4.20 115.64 108.11 3pcj s THR 97 Ca 0.01 0.69 -0.25 0.00 -1.18 0.00 0.00 61.69 60.97 3pcj s THR 97 Cb 0.01 -3.64 -0.08 0.00 1.34 0.00 0.00 72.50 70.13 3pcj s THR 97 CO -0.11 0.58 1.32 0.42 -0.54 0.00 0.00 174.62 176.29 3pcj s THR 98 N -1.08 2.45 -1.35 3.99 -4.23 -1.16 -4.59 115.64 109.67 3pcj s THR 98 Ca 0.22 0.38 0.16 0.00 -1.18 0.00 0.00 61.69 61.27 3pcj s THR 98 Cb -0.16 -3.22 0.26 0.00 1.34 0.00 0.00 72.50 70.72 3pcj s THR 98 CO 0.12 0.04 1.47 0.49 -0.54 0.00 0.00 174.62 176.20 3pcj n PHE 99 N -0.25 0.00 0.00 3.99 3.72 -1.26 -2.13 117.46 121.54 3pcj n PHE 99 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3pcj n PHE 99 Cb 0.44 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 3pcj n PHE 99 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3pcj n ASP 100 N -1.32 0.00 -0.48 4.37 5.75 -1.26 -4.81 116.55 118.80 3pcj n ASP 100 Ca 0.07 0.00 0.40 0.00 -0.01 0.00 0.00 54.79 55.25 3pcj n ASP 100 Cb 0.14 0.00 0.72 0.00 -1.03 0.00 0.00 41.12 40.95 3pcj n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcj h ALA 101 N -1.75 3.16 -4.92 2.12 0.00 -2.01 -3.46 119.26 112.40 3pcj h ALA 101 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3pcj h ALA 101 Cb 0.00 0.14 0.11 0.00 0.00 0.00 0.00 17.79 18.03 3pcj h ALA 101 CO 0.00 -1.66 -0.46 0.41 0.00 0.00 0.00 179.25 177.54 3pcj n GLY 102 N -1.71 -0.84 3.32 0.00 0.00 -0.90 -4.94 105.19 100.12 3pcj n GLY 102 Ca 0.35 0.38 -0.26 0.00 0.00 0.00 0.00 46.02 46.49 3pcj n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcj s GLU 103 N -3.74 1.32 0.25 1.61 2.12 -1.26 -4.51 118.70 114.49 3pcj s GLU 103 Ca 0.25 -1.18 0.09 0.00 0.36 0.00 0.00 54.97 54.48 3pcj s GLU 103 Cb -0.03 -1.63 -0.04 0.00 0.26 0.00 0.00 34.13 32.69 3pcj s GLU 103 CO 0.59 0.39 0.03 1.67 -0.54 0.00 0.00 175.26 177.40 3pcj s TRP 104 N -1.04 2.78 -0.02 5.30 1.48 -0.56 -2.99 118.94 123.89 3pcj s TRP 104 Ca 0.10 -0.19 -0.10 0.00 -1.06 0.00 0.00 56.10 54.84 3pcj s TRP 104 Cb -0.10 -1.25 0.01 0.00 -1.16 0.00 0.00 33.47 30.97 3pcj s TRP 104 CO 0.04 0.59 0.21 0.95 -4.06 0.00 0.00 176.95 174.69 3pcj s THR 105 N -2.20 0.06 0.03 0.66 -4.23 -1.26 -2.51 115.64 106.18 3pcj s THR 105 Ca 0.31 -0.47 0.03 0.00 -1.18 0.00 0.00 61.69 60.38 3pcj s THR 105 Cb -0.07 -0.47 -0.02 0.00 1.34 0.00 0.00 72.50 73.28 3pcj s THR 105 CO 0.20 -0.26 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.71 3pcj s LEU 106 N -1.04 2.15 -0.27 4.79 2.96 0.14 -4.86 118.68 122.54 3pcj s LEU 106 Ca -0.11 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 3pcj s LEU 106 Cb -0.06 -0.38 0.04 0.00 0.50 0.00 0.00 46.19 46.30 3pcj s LEU 106 CO 0.02 -0.03 -0.03 -1.00 -1.32 0.00 0.00 176.35 173.99 3pcj s HIS 107 N -0.79 3.17 0.00 5.38 3.76 0.42 -1.53 115.29 125.69 3pcj s HIS 107 Ca -0.02 -1.71 0.00 0.00 -0.15 0.00 0.00 55.06 53.18 3pcj s HIS 107 Cb -0.07 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.54 3pcj s HIS 107 CO 0.01 -0.77 0.00 -2.37 -0.85 0.00 0.00 174.74 170.76 3pcj n THR 108 N 4.64 0.00 -4.35 1.30 5.66 -1.05 0.51 114.28 120.99 3pcj n THR 108 Ca -0.15 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.59 3pcj n THR 108 Cb 0.45 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.11 3pcj n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pcj s VAL 109 N -2.44 2.01 0.13 1.08 -7.23 -1.26 -0.38 120.40 112.31 3pcj s VAL 109 Ca 0.00 -1.74 -0.31 0.00 -1.81 0.00 0.00 61.98 58.12 3pcj s VAL 109 Cb 0.00 -1.83 -0.09 0.00 0.56 0.00 0.00 36.38 35.02 3pcj s VAL 109 CO 0.00 -0.05 1.61 -0.75 -0.31 0.00 0.00 175.10 175.60 3pcj s LYS 110 N -2.20 4.20 0.47 4.82 2.20 -0.63 -4.87 119.74 123.73 3pcj s LYS 110 Ca 0.12 2.36 -0.22 0.00 -0.36 0.00 0.00 55.97 57.88 3pcj s LYS 110 Cb -0.09 -3.34 -0.07 0.00 -1.51 0.00 0.00 37.83 32.82 3pcj s LYS 110 CO 0.06 -0.67 1.12 -1.25 -0.36 0.00 0.00 175.35 174.25 3pcj s PRO 111 N 1.77 3.74 0.93 4.03 0.04 -1.26 -4.23 135.00 140.02 3pcj s PRO 111 Ca 0.72 1.62 -0.15 0.00 0.04 0.00 0.00 61.00 63.23 3pcj s PRO 111 Cb -0.42 -2.29 0.17 0.00 0.04 0.00 0.00 34.50 32.00 3pcj s PRO 111 CO 0.32 -0.53 1.27 0.20 0.04 0.00 0.00 177.00 178.30 3pcj s GLY 112 N -1.59 1.72 0.26 0.56 0.00 0.38 -4.72 107.32 103.92 3pcj s GLY 112 Ca 0.65 -1.03 -0.26 0.00 0.00 0.00 0.00 44.72 44.08 3pcj s GLY 112 CO 0.29 -0.33 0.88 0.14 0.00 0.00 0.00 173.10 174.08 3pcj s VAL 113 N -3.75 4.25 0.03 1.40 1.01 -1.26 -4.42 120.40 117.65 3pcj s VAL 113 Ca 0.71 1.80 0.03 0.00 0.00 0.00 0.00 61.98 64.52 3pcj s VAL 113 Cb -0.06 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 3pcj s VAL 113 CO 0.52 0.31 -0.10 0.68 0.00 0.00 0.00 175.10 176.51 3pcj s VAL 114 N -1.41 0.78 0.26 2.92 -7.23 -1.26 -4.46 120.40 110.01 3pcj s VAL 114 Ca 0.44 -0.81 -0.10 0.00 -1.81 0.00 0.00 61.98 59.70 3pcj s VAL 114 Cb -0.21 -0.73 -0.07 0.00 0.56 0.00 0.00 36.38 35.93 3pcj s VAL 114 CO 0.26 -0.06 0.60 0.20 -0.31 0.00 0.00 175.10 175.79 3pcj s ASN 115 N -0.96 6.63 0.87 4.85 0.01 -1.26 0.74 114.94 125.82 3pcj s ASN 115 Ca -0.01 0.99 -0.12 0.00 -0.71 0.00 0.00 52.86 53.01 3pcj s ASN 115 Cb -0.07 -2.25 0.16 0.00 0.41 0.00 0.00 41.25 39.50 3pcj s ASN 115 CO 0.01 -0.13 1.21 0.54 -1.51 0.00 0.00 177.10 177.22 3pcj s ASN 116 N -2.47 3.68 0.32 -1.22 4.22 0.29 -4.86 114.94 114.91 3pcj s ASN 116 Ca 0.49 0.22 0.07 0.00 -2.14 0.00 0.00 52.86 51.50 3pcj s ASN 116 Cb -0.11 -0.44 0.76 0.00 1.28 0.00 0.00 41.25 42.74 3pcj s ASN 116 CO 0.22 -2.36 1.81 0.00 -2.04 0.00 0.00 177.10 174.73 3pcj h ALA 117 N -1.25 1.74 0.00 3.54 0.00 -1.99 -0.42 119.26 120.87 3pcj h ALA 117 Ca -0.43 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3pcj h ALA 117 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3pcj h ALA 117 CO 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3pcj n ALA 118 N -2.37 2.66 -0.47 0.00 0.00 -1.26 -4.89 120.51 114.18 3pcj n ALA 118 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3pcj n ALA 118 Cb 0.54 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3pcj n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcj n GLY 119 N 0.95 0.74 3.77 0.00 0.00 -0.17 -5.06 105.19 105.42 3pcj n GLY 119 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3pcj n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcj s VAL 120 N -2.83 4.29 0.26 1.61 1.01 -1.26 -4.71 120.40 118.76 3pcj s VAL 120 Ca 0.00 1.80 -0.30 0.00 0.00 0.00 0.00 61.98 63.48 3pcj s VAL 120 Cb 0.00 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 3pcj s VAL 120 CO 0.00 0.51 1.02 -2.16 0.00 0.00 0.00 175.10 174.47 3pcj s PRO 121 N -1.17 4.75 0.00 2.72 0.05 -1.26 0.11 135.00 140.20 3pcj s PRO 121 Ca 0.37 1.65 -0.02 0.00 0.05 0.00 0.00 61.00 63.05 3pcj s PRO 121 Cb -0.24 -3.24 -0.04 0.00 0.05 0.00 0.00 34.50 31.04 3pcj s PRO 121 CO 0.28 0.37 0.17 -1.64 0.05 0.00 0.00 177.00 176.22 3pcj s MET 122 N -1.30 3.37 0.61 4.56 -1.94 0.23 -4.43 119.30 120.39 3pcj s MET 122 Ca 0.43 -0.37 -0.18 0.00 -1.71 0.00 0.00 55.69 53.86 3pcj s MET 122 Cb -0.29 -3.04 -0.03 0.00 2.01 0.00 0.00 34.83 33.48 3pcj s MET 122 CO 0.36 0.66 1.17 0.00 -0.01 0.00 0.00 175.02 177.20 3pcj s ALA 123 N -1.34 2.52 0.18 3.03 0.00 -1.26 -4.01 121.76 120.88 3pcj s ALA 123 Ca 0.28 0.85 -0.33 0.00 0.00 0.00 0.00 51.96 52.76 3pcj s ALA 123 Cb -0.13 -3.40 -0.14 0.00 0.00 0.00 0.00 23.12 19.45 3pcj s ALA 123 CO 0.20 -1.17 1.42 -2.30 0.00 0.00 0.00 175.76 173.91 3pcj n PRO 124 N -1.81 1.80 -3.62 0.00 -0.02 -1.26 -4.86 135.00 125.22 3pcj n PRO 124 Ca 0.12 0.64 -0.10 0.00 -2.02 0.00 0.00 63.50 62.14 3pcj n PRO 124 Cb 0.50 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 3pcj n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pcj s HIS 125 N 0.33 -0.22 -0.12 6.00 -3.43 -1.26 -4.36 115.29 112.23 3pcj s HIS 125 Ca 0.75 -0.09 0.02 0.00 -0.80 0.00 0.00 55.06 54.93 3pcj s HIS 125 Cb -0.74 0.28 -0.01 0.00 -1.43 0.00 0.00 32.58 30.69 3pcj s HIS 125 CO 0.46 -0.72 -0.18 0.42 -2.00 0.00 0.00 174.74 172.72 3pcj s ILE 126 N -3.80 2.55 -0.15 -5.38 1.01 -0.84 -4.62 121.20 109.98 3pcj s ILE 126 Ca 0.03 -0.83 -0.21 0.00 0.00 0.00 0.00 60.65 59.64 3pcj s ILE 126 Cb 0.02 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 3pcj s ILE 126 CO -0.12 0.54 0.62 0.20 0.00 0.00 0.00 174.94 176.18 3pcj s ASN 127 N 0.47 6.78 0.03 3.58 0.01 -0.06 -0.77 114.94 124.98 3pcj s ASN 127 Ca -0.12 0.94 0.09 0.00 -0.71 0.00 0.00 52.86 53.05 3pcj s ASN 127 Cb -0.17 -2.36 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 3pcj s ASN 127 CO 0.05 -0.18 -0.26 -0.63 -1.51 0.00 0.00 177.10 174.57 3pcj s ILE 128 N 1.36 2.10 -0.15 0.60 1.01 -0.79 -1.19 121.20 124.13 3pcj s ILE 128 Ca 0.31 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.63 3pcj s ILE 128 Cb -0.16 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.55 3pcj s ILE 128 CO 0.12 0.39 -0.13 -0.44 0.00 0.00 0.00 174.94 174.88 3pcj s SER 129 N -1.13 2.69 -0.19 3.58 0.01 -0.53 -0.92 113.70 117.21 3pcj s SER 129 Ca 0.11 -0.50 -0.08 0.00 1.31 0.00 0.00 55.95 56.80 3pcj s SER 129 Cb -0.10 -1.15 -0.04 0.00 0.21 0.00 0.00 66.02 64.94 3pcj s SER 129 CO 0.02 -0.07 0.07 -0.22 0.41 0.00 0.00 173.24 173.45 3pcj s LEU 130 N 1.50 3.84 0.09 2.44 2.96 0.40 -1.34 118.68 128.56 3pcj s LEU 130 Ca 0.05 0.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.09 3pcj s LEU 130 Cb -0.13 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 3pcj s LEU 130 CO -0.10 0.17 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.60 3pcj s PHE 131 N 0.40 1.25 0.00 5.38 0.40 0.55 -1.64 117.98 124.32 3pcj s PHE 131 Ca 0.03 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 3pcj s PHE 131 Cb -0.12 -0.69 0.00 0.00 0.51 0.00 0.00 43.02 42.72 3pcj s PHE 131 CO 0.00 0.07 0.00 0.00 0.70 0.00 0.00 175.22 175.99 3pcj n ALA 132 N 1.03 0.00 -1.79 5.36 0.00 -1.26 -0.64 120.51 123.21 3pcj n ALA 132 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 3pcj n ALA 132 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 3pcj n ALA 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3pcj s ARG 133 N -2.00 4.16 0.00 0.00 1.70 -1.25 -1.77 118.95 119.79 3pcj s ARG 133 Ca 0.00 2.51 0.00 0.00 -0.47 0.00 0.00 55.73 57.77 3pcj s ARG 133 Cb 0.00 -3.04 0.00 0.00 -0.57 0.00 0.00 34.95 31.34 3pcj s ARG 133 CO 0.00 -0.57 0.00 0.41 -1.08 0.00 0.00 175.30 174.06 3pcj n GLY 134 N 2.10 1.29 3.23 3.88 0.00 -1.26 -4.98 105.19 109.45 3pcj n GLY 134 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3pcj n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pcj s ILE 135 N -2.57 3.71 0.14 -0.61 1.01 -0.73 -4.98 121.20 117.18 3pcj s ILE 135 Ca 0.00 -1.44 -0.11 0.00 0.00 0.00 0.00 60.65 59.10 3pcj s ILE 135 Cb 0.00 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 3pcj s ILE 135 CO 0.00 -0.38 1.46 0.78 0.00 0.00 0.00 174.94 176.81 3pcj h ASN 136 N 8.21 0.99 -4.01 3.58 2.35 -1.90 -3.34 115.58 121.46 3pcj h ASN 136 Ca -0.21 -0.47 -0.45 0.00 -0.55 0.00 0.00 56.30 54.62 3pcj h ASN 136 Cb 1.07 -0.28 -0.30 0.00 0.05 0.00 0.00 38.32 38.87 3pcj h ASN 136 CO 0.66 1.27 -0.80 -0.51 -1.65 0.00 0.00 177.43 176.41 3pcj s ILE 137 N -4.33 0.93 0.66 2.81 2.07 -1.26 -2.95 121.20 119.12 3pcj s ILE 137 Ca -0.11 -0.48 -0.18 0.00 -1.41 0.00 0.00 60.65 58.48 3pcj s ILE 137 Cb 0.11 -0.79 -0.01 0.00 0.13 0.00 0.00 42.46 41.90 3pcj s ILE 137 CO 0.88 0.27 1.29 -1.38 -1.91 0.00 0.00 174.94 174.10 3pcj s HIS 138 N -0.10 2.06 -0.17 3.50 -3.43 -1.26 -5.01 115.29 110.88 3pcj s HIS 138 Ca 0.01 1.49 -0.12 0.00 -0.80 0.00 0.00 55.06 55.65 3pcj s HIS 138 Cb -0.06 -3.69 -0.05 0.00 -1.43 0.00 0.00 32.58 27.35 3pcj s HIS 138 CO 0.00 -2.94 0.21 -0.51 -2.00 0.00 0.00 174.74 169.50 3pcj s LEU 139 N -4.44 4.24 -0.18 5.38 1.43 -0.65 -4.92 118.68 119.54 3pcj s LEU 139 Ca 0.82 0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 54.23 3pcj s LEU 139 Cb -0.37 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 3pcj s LEU 139 CO 0.40 0.16 0.08 -1.00 0.23 0.00 0.00 176.35 176.22 3pcj s HIS 140 N 0.29 3.30 0.33 0.29 3.76 -1.26 -0.45 115.29 121.55 3pcj s HIS 140 Ca 0.13 0.15 0.06 0.00 -0.15 0.00 0.00 55.06 55.25 3pcj s HIS 140 Cb -0.12 -2.09 -0.03 0.00 1.11 0.00 0.00 32.58 31.46 3pcj s HIS 140 CO 0.01 0.21 0.31 -0.08 -0.85 0.00 0.00 174.74 174.35 3pcj s THR 141 N 0.29 0.00 0.01 1.30 -1.32 -0.10 -0.59 115.64 115.24 3pcj s THR 141 Ca 0.05 -1.93 0.02 0.00 -1.21 0.00 0.00 61.69 58.61 3pcj s THR 141 Cb -0.12 -2.53 -0.01 0.00 -1.51 0.00 0.00 72.50 68.33 3pcj s THR 141 CO -0.00 0.00 -0.06 -0.13 -2.21 0.00 0.00 174.62 172.22 3pcj s ARG 142 N -3.39 0.45 -0.22 7.08 0.52 -1.26 -1.89 118.95 120.24 3pcj s ARG 142 Ca 0.39 -0.41 -0.05 0.00 -0.52 0.00 0.00 55.73 55.14 3pcj s ARG 142 Cb 0.02 -0.34 -0.02 0.00 0.52 0.00 0.00 34.95 35.13 3pcj s ARG 142 CO 0.26 0.08 -0.00 -1.17 0.02 0.00 0.00 175.30 174.49 3pcj s LEU 143 N -0.72 3.13 0.27 2.53 0.20 0.05 -4.75 118.68 119.39 3pcj s LEU 143 Ca -0.03 -0.29 0.09 0.00 0.69 0.00 0.00 54.13 54.59 3pcj s LEU 143 Cb -0.05 -1.81 -0.04 0.00 -0.43 0.00 0.00 46.19 43.86 3pcj s LEU 143 CO 0.00 0.01 0.03 -0.31 -0.29 0.00 0.00 176.35 175.79 3pcj s TYR 144 N 1.34 2.76 -0.12 5.38 1.51 0.96 -1.98 117.35 127.20 3pcj s TYR 144 Ca 0.04 -0.21 -0.01 0.00 -1.01 0.00 0.00 57.07 55.88 3pcj s TYR 144 Cb -0.15 -1.24 -0.02 0.00 -0.11 0.00 0.00 41.96 40.44 3pcj s TYR 144 CO 0.00 0.59 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.88 3pcj s PHE 145 N -2.30 2.89 0.60 2.71 0.40 -1.26 0.11 117.98 121.14 3pcj s PHE 145 Ca 0.32 -0.40 0.32 0.00 -0.60 0.00 0.00 56.93 56.57 3pcj s PHE 145 Cb -0.06 -1.85 1.93 0.00 0.51 0.00 0.00 43.02 43.55 3pcj s PHE 145 CO 0.21 -0.05 2.28 0.38 0.70 0.00 0.00 175.22 178.74 3pcj h ASP 146 N 6.39 0.00 -0.21 1.36 2.03 -1.63 -1.88 116.42 122.48 3pcj h ASP 146 Ca -0.32 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.98 3pcj h ASP 146 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 3pcj h ASP 146 CO 0.57 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.88 3pcj n ASP 147 N -3.72 1.22 -0.53 4.15 5.75 -1.26 -3.51 116.55 118.65 3pcj n ASP 147 Ca -0.03 -1.94 0.06 0.00 -0.01 0.00 0.00 54.79 52.87 3pcj n ASP 147 Cb 0.08 -0.14 0.20 0.00 -1.03 0.00 0.00 41.12 40.23 3pcj n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3pcj n GLU 148 N 0.14 1.55 -0.34 0.11 -0.58 -0.71 -4.87 120.64 115.95 3pcj n GLU 148 Ca 0.09 -3.20 0.27 0.00 -0.42 0.00 0.00 57.16 53.90 3pcj n GLU 148 Cb 0.20 -1.61 0.52 0.00 -0.57 0.00 0.00 31.44 29.99 3pcj n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pcj h ALA 149 N 0.85 2.11 0.33 0.62 0.00 -1.73 -0.09 119.26 121.36 3pcj h ALA 149 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3pcj h ALA 149 Cb 1.01 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3pcj h ALA 149 CO 0.01 -0.75 -0.16 1.96 0.00 0.00 0.00 179.25 180.31 3pcj h GLN 150 N 0.23 -0.43 -0.59 0.00 4.20 -1.93 -2.17 115.11 114.43 3pcj h GLN 150 Ca 0.76 0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.51 3pcj h GLN 150 Cb 1.90 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 29.75 3pcj h GLN 150 CO -0.60 -0.17 0.39 0.00 -0.67 0.00 0.00 178.83 177.77 3pcj h ALA 151 N -0.05 0.75 -0.97 3.87 0.00 -1.68 -2.71 119.26 118.47 3pcj h ALA 151 Ca -0.05 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 54.93 3pcj h ALA 151 Cb 0.46 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 3pcj h ALA 151 CO 0.07 0.19 0.62 -0.91 0.00 0.00 0.00 179.25 179.22 3pcj h ASN 152 N 0.80 0.89 0.20 0.00 2.35 -1.04 -1.77 115.58 117.01 3pcj h ASN 152 Ca 0.22 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.97 3pcj h ASN 152 Cb -0.08 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3pcj h ASN 152 CO -0.05 0.49 -0.18 0.00 -1.65 0.00 0.00 177.43 176.04 3pcj h ALA 153 N 1.54 1.66 -0.03 -0.83 0.00 -1.05 -2.80 119.26 117.75 3pcj h ALA 153 Ca 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3pcj h ALA 153 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3pcj h ALA 153 CO -0.23 0.22 -0.01 1.63 0.00 0.00 0.00 179.25 180.86 3pcj n LYS 154 N -4.26 2.05 -1.86 0.00 4.76 -0.72 -4.95 118.16 113.19 3pcj n LYS 154 Ca -0.02 -1.80 -0.42 0.00 -2.87 0.00 0.00 58.31 53.19 3pcj n LYS 154 Cb 0.25 -1.42 -0.03 0.00 -1.84 0.00 0.00 35.03 31.98 3pcj n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3pcj h PRO 156 N 8.52 0.00 0.03 0.00 0.13 -1.92 -1.27 132.00 137.49 3pcj h PRO 156 Ca -0.44 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.61 3pcj h PRO 156 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3pcj h PRO 156 CO 0.94 0.16 -0.42 0.28 -0.23 0.00 0.00 178.00 178.72 3pcj h VAL 157 N 0.00 1.56 -0.83 1.56 2.07 -1.94 -3.21 116.25 115.46 3pcj h VAL 157 Ca -0.00 -2.35 0.09 0.00 0.82 0.00 0.00 66.70 65.26 3pcj h VAL 157 Cb 0.35 3.12 -0.06 0.00 -1.52 0.00 0.00 31.29 33.19 3pcj h VAL 157 CO 0.02 0.58 0.54 0.25 0.02 0.00 0.00 177.57 178.98 3pcj h LEU 158 N -0.87 0.72 -0.02 2.57 5.85 -1.86 -1.61 115.31 120.09 3pcj h LEU 158 Ca -0.10 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3pcj h LEU 158 Cb 1.19 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3pcj h LEU 158 CO -0.01 0.43 0.00 0.59 -0.34 0.00 0.00 178.44 179.11 3pcj n ASN 159 N -4.51 0.03 0.19 1.25 3.02 -0.49 -2.45 115.26 112.29 3pcj n ASN 159 Ca 0.14 0.51 0.13 0.00 -0.03 0.00 0.00 54.58 55.32 3pcj n ASN 159 Cb 0.31 -0.51 0.29 0.00 -0.61 0.00 0.00 39.78 39.25 3pcj n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pcj h LEU 160 N 0.00 0.00 -8.54 3.41 3.38 -1.28 -3.42 115.31 108.86 3pcj h LEU 160 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3pcj h LEU 160 Cb 0.32 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 3pcj h LEU 160 CO 0.00 0.00 1.07 -0.63 0.09 0.00 0.00 178.44 178.97 3pcj s ILE 161 N -3.22 3.82 0.16 1.22 1.01 -1.03 -4.90 121.20 118.27 3pcj s ILE 161 Ca 0.08 0.67 -0.30 0.00 0.00 0.00 0.00 60.65 61.10 3pcj s ILE 161 Cb 0.08 -4.60 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 3pcj s ILE 161 CO 0.63 -1.35 1.54 -0.33 0.00 0.00 0.00 174.94 175.43 3pcj h GLU 162 N 10.55 -0.04 -5.44 2.79 5.08 -1.88 -3.39 114.58 122.26 3pcj h GLU 162 Ca -0.26 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.49 3pcj h GLU 162 Cb 1.08 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.21 3pcj h GLU 162 CO 1.20 -0.02 0.09 -0.65 -1.00 0.00 0.00 179.01 178.62 3pcj s GLN 163 N -5.56 4.09 0.22 2.33 -1.52 -1.26 -4.99 119.66 112.98 3pcj s GLN 163 Ca -0.12 0.45 -0.12 0.00 -1.95 0.00 0.00 55.36 53.61 3pcj s GLN 163 Cb 0.12 -3.65 0.28 0.00 -0.22 0.00 0.00 33.01 29.54 3pcj s GLN 163 CO 0.63 -0.39 1.61 -1.35 -0.25 0.00 0.00 175.29 175.54 3pcj h PRO 164 N 7.95 0.00 -0.74 2.91 0.11 -1.98 -0.85 132.00 139.40 3pcj h PRO 164 Ca -0.28 -0.00 0.21 0.00 0.11 0.00 0.00 66.00 66.04 3pcj h PRO 164 Cb 1.13 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3pcj h PRO 164 CO 0.75 0.00 0.53 1.96 -0.21 0.00 0.00 178.00 181.02 3pcj h GLN 165 N 0.00 0.03 0.00 1.05 7.50 -1.95 -1.74 115.11 120.00 3pcj h GLN 165 Ca 0.34 -0.00 -0.16 0.00 0.50 0.00 0.00 58.65 59.33 3pcj h GLN 165 Cb 0.52 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.02 3pcj h GLN 165 CO -0.72 0.02 -0.75 0.00 -1.50 0.00 0.00 178.83 175.88 3pcj h ARG 166 N 0.03 0.00 -0.50 1.46 3.08 -1.54 -3.23 114.38 113.68 3pcj h ARG 166 Ca 0.35 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.38 3pcj h ARG 166 Cb 1.36 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.38 3pcj h ARG 166 CO -0.02 0.75 0.23 0.00 -1.07 0.00 0.00 179.97 179.86 3pcj h ARG 167 N 0.00 0.70 0.00 0.04 3.08 -1.31 -1.97 114.38 114.92 3pcj h ARG 167 Ca -0.01 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3pcj h ARG 167 Cb 1.52 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.44 3pcj h ARG 167 CO 0.10 0.55 -0.05 0.93 -1.07 0.00 0.00 179.97 180.43 3pcj h GLU 168 N 0.70 0.00 0.00 0.04 5.08 -1.57 -2.48 114.58 116.35 3pcj h GLU 168 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3pcj h GLU 168 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3pcj h GLU 168 CO -0.02 0.05 0.00 0.25 -1.00 0.00 0.00 179.01 178.29 3pcj n THR 169 N -3.35 0.83 1.15 1.13 -2.24 -0.74 -2.59 114.28 108.47 3pcj n THR 169 Ca -0.02 0.22 0.13 0.00 -2.27 0.00 0.00 64.05 62.11 3pcj n THR 169 Cb 0.20 -1.13 0.25 0.00 -2.10 0.00 0.00 70.33 67.55 3pcj n THR 169 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3pcj n LEU 170 N -2.19 2.48 -4.55 3.22 4.77 -0.93 -4.80 117.00 115.00 3pcj n LEU 170 Ca 0.02 -0.84 -0.37 0.00 -0.03 0.00 0.00 56.01 54.79 3pcj n LEU 170 Cb 0.23 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.20 3pcj n LEU 170 CO 0.20 0.42 -0.20 -0.63 -1.33 0.00 0.00 177.39 175.84 3pcj s ILE 171 N -1.98 5.01 0.18 -0.08 1.01 -1.07 -0.03 121.20 124.25 3pcj s ILE 171 Ca 0.32 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 3pcj s ILE 171 Cb 0.20 -3.37 -0.08 0.00 0.01 0.00 0.00 42.46 39.23 3pcj s ILE 171 CO 0.31 0.28 0.98 0.00 0.00 0.00 0.00 174.94 176.51 3pcj s ALA 172 N 1.66 3.31 -0.37 9.38 0.00 0.31 -4.82 121.76 131.23 3pcj s ALA 172 Ca 0.07 0.64 -0.23 0.00 0.00 0.00 0.00 51.96 52.44 3pcj s ALA 172 Cb -0.16 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.71 3pcj s ALA 172 CO 0.08 0.05 0.78 0.15 0.00 0.00 0.00 175.76 176.82 3pcj s LYS 173 N -0.63 3.74 0.30 0.00 1.02 -0.43 -1.64 119.74 122.09 3pcj s LYS 173 Ca 0.45 0.28 -0.30 0.00 0.02 0.00 0.00 55.97 56.42 3pcj s LYS 173 Cb -0.26 -3.81 -0.12 0.00 -0.52 0.00 0.00 37.83 33.12 3pcj s LYS 173 CO 0.32 -0.85 1.56 -2.13 -0.92 0.00 0.00 175.35 173.33 3pcj n ARG 174 N 6.41 2.63 -0.17 1.68 0.63 -1.26 -1.06 116.66 125.52 3pcj n ARG 174 Ca 0.03 0.93 0.00 0.00 -0.92 0.00 0.00 57.85 57.89 3pcj n ARG 174 Cb 0.48 -2.70 0.00 0.00 0.45 0.00 0.00 32.46 30.70 3pcj n ARG 174 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3pcj s GLU 176 N 0.67 0.27 -0.15 0.00 2.56 -1.26 -1.61 118.70 119.19 3pcj s GLU 176 Ca 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 54.97 55.47 3pcj s GLU 176 Cb 0.00 -0.00 0.04 0.00 2.00 0.00 0.00 34.13 36.16 3pcj s GLU 176 CO 0.00 -0.11 -0.05 0.08 -0.56 0.00 0.00 175.26 174.62 3pcj s VAL 177 N 0.85 1.00 -1.32 3.70 1.01 0.31 -4.73 120.40 121.22 3pcj s VAL 177 Ca -0.06 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 3pcj s VAL 177 Cb -0.07 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.15 3pcj s VAL 177 CO -0.06 0.17 0.67 0.47 0.00 0.00 0.00 175.10 176.35 3pcj n ASP 178 N 4.92 -1.11 -1.75 3.32 8.00 -1.26 0.12 116.55 128.79 3pcj n ASP 178 Ca -0.11 -0.84 -0.17 0.00 0.71 0.00 0.00 54.79 54.37 3pcj n ASP 178 Cb 0.48 -3.93 -0.05 0.00 -0.02 0.00 0.00 41.12 37.60 3pcj n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pcj n GLY 179 N -1.63 1.02 3.65 0.44 0.00 -1.26 -4.95 105.19 102.47 3pcj n GLY 179 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 3pcj n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcj s LYS 180 N -3.88 2.74 -0.02 1.61 2.47 0.12 -5.07 119.74 117.71 3pcj s LYS 180 Ca 0.00 -0.62 -0.30 0.00 -1.56 0.00 0.00 55.97 53.49 3pcj s LYS 180 Cb 0.00 -2.63 -0.05 0.00 -1.46 0.00 0.00 37.83 33.68 3pcj s LYS 180 CO 0.00 0.63 1.43 0.99 0.16 0.00 0.00 175.35 178.56 3pcj s THR 181 N -1.03 3.73 0.12 3.43 2.01 -1.26 0.11 115.64 122.75 3pcj s THR 181 Ca 0.18 1.06 0.04 0.00 0.31 0.00 0.00 61.69 63.28 3pcj s THR 181 Cb -0.11 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 3pcj s THR 181 CO 0.08 -0.03 -0.09 0.00 -0.69 0.00 0.00 174.62 173.89 3pcj s ALA 182 N 2.77 1.28 -0.03 7.40 0.00 -0.63 -1.13 121.76 131.41 3pcj s ALA 182 Ca 0.65 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3pcj s ALA 182 Cb -0.31 0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.90 3pcj s ALA 182 CO 0.26 -0.11 -0.02 0.71 0.00 0.00 0.00 175.76 176.60 3pcj s TYR 183 N -3.15 0.49 -0.13 0.00 1.51 -0.24 0.17 117.35 115.99 3pcj s TYR 183 Ca 0.13 -0.09 -0.10 0.00 -1.01 0.00 0.00 57.07 56.00 3pcj s TYR 183 Cb 0.02 -0.50 -0.05 0.00 -0.11 0.00 0.00 41.96 41.32 3pcj s TYR 183 CO -0.01 -0.15 0.21 0.50 -1.11 0.00 0.00 175.55 174.99 3pcj s ARG 184 N 0.91 3.87 -0.32 -0.62 3.52 -0.23 -2.35 118.95 123.73 3pcj s ARG 184 Ca -0.10 -0.03 -0.02 0.00 -0.13 0.00 0.00 55.73 55.44 3pcj s ARG 184 Cb -0.14 -3.30 0.12 0.00 -1.56 0.00 0.00 34.95 30.07 3pcj s ARG 184 CO -0.01 0.53 0.17 0.12 -0.81 0.00 0.00 175.30 175.30 3pcj s PHE 185 N -0.37 0.48 0.16 5.12 5.36 0.10 -1.31 117.98 127.52 3pcj s PHE 185 Ca 0.15 -1.21 -0.17 0.00 -0.96 0.00 0.00 56.93 54.74 3pcj s PHE 185 Cb -0.13 -0.89 -0.07 0.00 -0.34 0.00 0.00 43.02 41.59 3pcj s PHE 185 CO 0.04 -0.83 0.61 -0.51 -1.46 0.00 0.00 175.22 173.07 3pcj s ASP 186 N 1.63 6.95 -0.16 6.13 1.01 -1.26 -4.00 116.67 126.97 3pcj s ASP 186 Ca 0.13 1.23 -0.01 0.00 0.71 0.00 0.00 52.55 54.61 3pcj s ASP 186 Cb -0.19 -2.35 -0.00 0.00 1.01 0.00 0.00 42.92 41.39 3pcj s ASP 186 CO -0.19 0.12 -0.13 -0.63 0.21 0.00 0.00 175.17 174.54 3pcj s ILE 187 N -1.41 2.85 -0.37 0.77 1.01 0.04 -4.96 121.20 119.14 3pcj s ILE 187 Ca 0.38 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 3pcj s ILE 187 Cb -0.16 -2.23 0.10 0.00 0.01 0.00 0.00 42.46 40.18 3pcj s ILE 187 CO 0.20 0.50 0.12 -0.13 0.00 0.00 0.00 174.94 175.63 3pcj s ARG 188 N 0.89 1.89 0.27 2.79 0.52 -1.26 0.10 118.95 124.15 3pcj s ARG 188 Ca -0.03 -1.76 -0.03 0.00 -0.52 0.00 0.00 55.73 53.38 3pcj s ARG 188 Cb -0.15 -3.40 0.34 0.00 0.52 0.00 0.00 34.95 32.26 3pcj s ARG 188 CO -0.01 -0.97 1.87 0.82 0.02 0.00 0.00 175.30 177.03 3pcj h ILE 189 N 6.46 1.23 -3.61 1.52 2.04 -1.56 0.34 117.51 123.93 3pcj h ILE 189 Ca -0.11 -0.66 -0.14 0.00 1.00 0.00 0.00 64.86 64.95 3pcj h ILE 189 Cb 1.04 0.31 -0.20 0.00 -0.74 0.00 0.00 36.82 37.23 3pcj h ILE 189 CO 0.62 0.28 -0.51 -1.58 0.00 0.00 0.00 178.15 176.96 3pcj s GLN 190 N -5.58 0.51 1.76 2.37 0.74 -1.26 -4.74 119.66 113.46 3pcj s GLN 190 Ca -0.11 -0.50 0.00 0.00 0.05 0.00 0.00 55.36 54.79 3pcj s GLN 190 Cb 0.16 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.48 3pcj s GLN 190 CO 0.81 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.84 3pcj n GLY 191 N 1.27 -0.62 3.63 2.59 0.00 -1.26 -4.13 105.19 106.66 3pcj n GLY 191 Ca -0.22 -1.42 -0.49 0.00 0.00 0.00 0.00 46.02 43.89 3pcj n GLY 191 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcj n GLU 192 N 0.00 1.87 -1.00 1.61 2.13 -1.26 -0.45 120.64 123.54 3pcj n GLU 192 Ca 0.00 0.64 -0.00 0.00 0.66 0.00 0.00 57.16 58.46 3pcj n GLU 192 Cb 0.00 -2.65 -0.00 0.00 0.27 0.00 0.00 31.44 29.06 3pcj n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pcj n GLY 193 N 5.00 0.39 3.63 8.31 0.00 -1.26 -4.97 105.19 116.29 3pcj n GLY 193 Ca 0.28 -1.08 -0.51 0.00 0.00 0.00 0.00 46.02 44.70 3pcj n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcj n GLU 194 N -3.00 1.44 -2.15 1.61 2.13 0.41 -4.65 120.64 116.43 3pcj n GLU 194 Ca -0.00 0.52 -0.35 0.00 0.66 0.00 0.00 57.16 57.99 3pcj n GLU 194 Cb 0.00 -2.21 0.02 0.00 0.27 0.00 0.00 31.44 29.52 3pcj n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pcj s THR 195 N 1.17 2.94 0.13 6.31 2.01 0.12 -4.97 115.64 123.34 3pcj s THR 195 Ca 0.85 0.58 -0.30 0.00 0.31 0.00 0.00 61.69 63.14 3pcj s THR 195 Cb -0.89 -3.23 -0.06 0.00 0.01 0.00 0.00 72.50 68.33 3pcj s THR 195 CO 0.47 -0.13 1.01 -0.69 -0.69 0.00 0.00 174.62 174.59 3pcj s VAL 196 N -1.71 4.30 0.05 3.82 1.01 -1.26 -4.94 120.40 121.66 3pcj s VAL 196 Ca 0.75 1.92 0.08 0.00 0.00 0.00 0.00 61.98 64.73 3pcj s VAL 196 Cb -0.26 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 3pcj s VAL 196 CO 0.30 0.30 -0.23 -0.36 0.00 0.00 0.00 175.10 175.10 3pcj s PHE 197 N -0.03 2.05 0.30 5.22 0.08 -1.26 -4.64 117.98 119.70 3pcj s PHE 197 Ca 0.48 -0.39 0.08 0.00 0.12 0.00 0.00 56.93 57.22 3pcj s PHE 197 Cb -0.25 -1.22 -0.04 0.00 -0.57 0.00 0.00 43.02 40.94 3pcj s PHE 197 CO 0.31 0.12 0.16 -0.06 -0.10 0.00 0.00 175.22 175.65 3pcj s PHE 198 N -0.82 2.85 -0.04 0.36 0.08 0.24 -5.00 117.98 115.66 3pcj s PHE 198 Ca 0.10 -0.26 0.03 0.00 0.12 0.00 0.00 56.93 56.92 3pcj s PHE 198 Cb -0.09 -1.51 0.00 0.00 -0.57 0.00 0.00 43.02 40.85 3pcj s PHE 198 CO 0.02 0.42 -0.11 0.34 -0.10 0.00 0.00 175.22 175.79 3pcj s ASP 199 N -3.84 1.49 0.00 1.36 2.15 -1.26 -4.30 116.67 112.27 3pcj s ASP 199 Ca 0.36 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 53.10 3pcj s ASP 199 Cb -0.06 -0.46 0.00 0.00 -0.30 0.00 0.00 42.92 42.11 3pcj s ASP 199 CO 0.23 0.08 0.00 2.22 -0.17 0.00 0.00 175.17 177.53