#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 4.46 -0.07 4.25 -1.09 -1.26 -5.04 121.20 122.45 3pcj s ILE 2 Ca 0.00 1.93 0.04 0.00 -2.23 0.00 0.00 60.65 60.39 3pcj s ILE 2 Cb 0.00 -4.23 -0.02 0.00 -1.58 0.00 0.00 42.46 36.63 3pcj s ILE 2 CO 0.00 0.24 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.15 3pcj s GLU 3 N 0.37 2.66 0.38 2.79 0.41 -1.26 -5.15 118.70 118.91 3pcj s GLU 3 Ca 0.50 -0.78 0.03 0.00 -0.41 0.00 0.00 54.97 54.31 3pcj s GLU 3 Cb -0.24 -2.33 0.07 0.00 -1.78 0.00 0.00 34.13 29.85 3pcj s GLU 3 CO 0.30 0.46 0.52 1.28 -0.49 0.00 0.00 175.26 177.33 3pcj n LEU 4 N 2.77 0.00 -4.78 1.80 4.32 -1.26 -5.05 117.00 114.81 3pcj n LEU 4 Ca -0.17 -1.35 -0.35 0.00 -0.02 0.00 0.00 56.01 54.12 3pcj n LEU 4 Cb 0.52 -0.31 -0.01 0.00 -1.62 0.00 0.00 43.42 42.00 3pcj n LEU 4 CO 0.26 -0.70 0.78 -0.76 -1.22 0.00 0.00 177.39 175.75 3pcj s LEU 5 N 0.00 3.87 0.23 2.23 1.43 -1.26 -4.97 118.68 120.21 3pcj s LEU 5 Ca 0.37 2.15 -0.30 0.00 -1.03 0.00 0.00 54.13 55.32 3pcj s LEU 5 Cb -0.03 -4.46 -0.09 0.00 0.03 0.00 0.00 46.19 41.65 3pcj s LEU 5 CO 0.24 -1.00 1.04 -2.84 0.23 0.00 0.00 176.35 174.03 3pcj s PRO 6 N -3.06 4.69 0.59 1.29 0.02 -1.26 -5.01 135.00 132.27 3pcj s PRO 6 Ca 0.68 1.67 -0.19 0.00 0.02 0.00 0.00 61.00 63.18 3pcj s PRO 6 Cb -0.24 -3.25 -0.04 0.00 0.02 0.00 0.00 34.50 31.00 3pcj s PRO 6 CO 0.28 0.26 1.22 -2.00 -0.33 0.00 0.00 177.00 176.42 3pcj s GLU 7 N -0.97 2.98 0.24 5.54 2.12 -1.26 -4.93 118.70 122.42 3pcj s GLU 7 Ca 0.45 1.85 -0.30 0.00 0.36 0.00 0.00 54.97 57.33 3pcj s GLU 7 Cb -0.29 -1.95 -0.10 0.00 0.26 0.00 0.00 34.13 32.05 3pcj s GLU 7 CO 0.36 -1.21 1.50 0.99 -0.54 0.00 0.00 175.26 176.36 3pcj s THR 8 N -1.57 2.51 0.37 -1.70 2.01 -1.26 -4.94 115.64 111.06 3pcj s THR 8 Ca 0.77 0.42 -0.27 0.00 0.31 0.00 0.00 61.69 62.92 3pcj s THR 8 Cb -0.31 -3.27 -0.09 0.00 0.01 0.00 0.00 72.50 68.84 3pcj s THR 8 CO 0.34 0.06 1.29 -2.84 -0.69 0.00 0.00 174.62 172.78 3pcj s PRO 9 N -0.13 4.16 0.57 4.92 0.02 -1.26 -5.02 135.00 138.26 3pcj s PRO 9 Ca 0.62 2.16 -0.16 0.00 0.02 0.00 0.00 61.00 63.65 3pcj s PRO 9 Cb -0.44 -2.90 -0.05 0.00 0.02 0.00 0.00 34.50 31.13 3pcj s PRO 9 CO 0.42 -0.33 1.03 0.45 -0.33 0.00 0.00 177.00 178.24 3pcj s SER 10 N -0.65 6.07 0.03 2.53 0.15 -1.26 -5.08 113.70 115.49 3pcj s SER 10 Ca 0.53 1.71 -0.00 0.00 0.70 0.00 0.00 55.95 58.88 3pcj s SER 10 Cb -0.38 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.38 3pcj s SER 10 CO 0.50 -0.97 -0.03 -1.10 1.20 0.00 0.00 173.24 172.84 3pcj s GLN 11 N -4.16 0.39 0.69 5.44 -1.52 -1.15 -4.86 119.66 114.50 3pcj s GLN 11 Ca 0.61 -0.77 -0.16 0.00 -1.95 0.00 0.00 55.36 53.09 3pcj s GLN 11 Cb -0.14 0.14 0.00 0.00 -0.22 0.00 0.00 33.01 32.79 3pcj s GLN 11 CO 0.36 -0.07 1.07 -2.37 -0.25 0.00 0.00 175.29 174.04 3pcj n THR 12 N 1.21 3.43 0.35 -0.19 5.66 -1.17 -4.78 114.28 118.79 3pcj n THR 12 Ca -0.21 -0.41 0.13 0.00 -3.05 0.00 0.00 64.05 60.51 3pcj n THR 12 Cb 0.57 -1.22 0.37 0.00 -1.55 0.00 0.00 70.33 68.50 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 -0.02 1.00 -0.79 1.79 0.00 -1.75 -3.50 119.26 116.00 3pcj h ALA 13 Ca -0.48 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.52 3pcj h ALA 13 Cb 1.34 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 3pcj h ALA 13 CO 0.49 0.00 -0.19 0.41 0.00 0.00 0.00 179.25 179.96 3pcj n GLY 14 N 0.80 -1.90 0.26 0.00 0.00 -1.26 -4.06 105.19 99.04 3pcj n GLY 14 Ca 0.03 -1.42 0.15 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.32 0.00 -0.67 1.61 0.13 -1.93 -3.17 132.00 127.65 3pcj h PRO 15 Ca -0.01 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.94 3pcj h PRO 15 Cb 0.32 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.34 3pcj h PRO 15 CO 0.01 0.09 0.21 0.66 -0.23 0.00 0.00 178.00 178.73 3pcj n TYR 16 N -3.27 2.25 -0.23 1.56 4.01 -1.26 -4.60 117.16 115.62 3pcj n TYR 16 Ca -0.00 -1.15 0.31 0.00 -0.16 0.00 0.00 57.90 56.90 3pcj n TYR 16 Cb 0.31 -0.63 0.73 0.00 -0.31 0.00 0.00 39.34 39.44 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 2.69 0.47 -0.65 -0.72 3.04 -1.69 -0.73 116.25 118.67 3pcj h VAL 17 Ca 0.22 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.93 3pcj h VAL 17 Cb 2.21 0.49 -0.04 0.00 -2.01 0.00 0.00 31.29 31.93 3pcj h VAL 17 CO 0.66 0.00 0.40 0.45 -1.01 0.00 0.00 177.57 178.07 3pcj h HIS 18 N 0.00 0.75 -1.00 3.17 3.86 -1.83 -1.64 115.15 118.46 3pcj h HIS 18 Ca 0.47 0.02 0.20 0.00 -1.16 0.00 0.00 60.37 59.90 3pcj h HIS 18 Cb 1.93 -0.24 -0.10 0.00 1.06 0.00 0.00 27.41 30.06 3pcj h HIS 18 CO 0.00 0.43 0.61 -0.84 0.86 0.00 0.00 177.93 178.99 3pcj h ILE 19 N 0.79 0.69 0.00 2.45 3.07 -1.33 0.27 117.51 123.45 3pcj h ILE 19 Ca 0.26 -0.24 -0.14 0.00 1.55 0.00 0.00 64.86 66.29 3pcj h ILE 19 Cb 0.02 -0.07 -0.03 0.00 -0.27 0.00 0.00 36.82 36.47 3pcj h ILE 19 CO -0.10 0.13 -1.62 0.61 -1.05 0.00 0.00 178.15 176.11 3pcj n GLY 20 N -1.36 -1.17 0.00 0.16 0.00 -0.83 -4.54 105.19 97.46 3pcj n GLY 20 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.71 0.38 -2.90 0.99 4.77 -0.68 -4.87 117.00 111.98 3pcj n LEU 21 Ca -0.11 -0.44 -0.13 0.00 -0.03 0.00 0.00 56.01 55.30 3pcj n LEU 21 Cb 0.79 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.91 3pcj n LEU 21 CO 0.43 0.09 0.08 0.00 -1.33 0.00 0.00 177.39 176.67 3pcj n ALA 22 N -0.12 0.12 -0.01 -1.18 0.00 0.89 -4.97 120.51 115.25 3pcj n ALA 22 Ca 0.00 -2.15 -0.15 0.00 0.00 0.00 0.00 53.44 51.13 3pcj n ALA 22 Cb 0.09 -1.11 -0.10 0.00 0.00 0.00 0.00 19.45 18.34 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 3.44 -1.72 -0.32 0.00 4.07 -1.61 -1.36 115.31 117.81 3pcj h LEU 23 Ca -0.05 0.20 0.03 0.00 0.08 0.00 0.00 57.88 58.15 3pcj h LEU 23 Cb 1.02 0.67 -0.04 0.00 1.08 0.00 0.00 40.66 43.38 3pcj h LEU 23 CO 0.31 -0.49 -0.24 -0.08 -1.08 0.00 0.00 178.44 176.86 3pcj h GLU 24 N -0.59 -0.07 -0.97 1.13 4.81 -1.87 0.87 114.58 117.89 3pcj h GLU 24 Ca 0.03 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.45 3pcj h GLU 24 Cb 0.68 0.02 -0.18 0.00 0.63 0.00 0.00 28.75 29.90 3pcj h GLU 24 CO -0.43 -0.04 -0.28 0.00 -0.73 0.00 0.00 179.01 177.53 3pcj n ALA 25 N -3.01 0.14 0.30 2.92 0.00 -1.03 0.34 120.51 120.17 3pcj n ALA 25 Ca -0.00 1.04 0.19 0.00 0.00 0.00 0.00 53.44 54.67 3pcj n ALA 25 Cb 0.12 -0.58 0.99 0.00 0.00 0.00 0.00 19.45 19.98 3pcj n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3pcj h ALA 26 N 1.78 1.36 -0.88 0.00 0.00 0.26 -3.45 119.26 118.32 3pcj h ALA 26 Ca 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3pcj h ALA 26 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3pcj h ALA 26 CO -0.99 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 178.51 3pcj n GLY 27 N -1.23 0.93 3.36 0.00 0.00 1.04 -4.97 105.19 104.32 3pcj n GLY 27 Ca -0.01 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.94 2.74 0.44 1.61 0.01 -0.84 -5.03 114.94 110.93 3pcj s ASN 28 Ca 0.00 -0.97 -0.24 0.00 -0.71 0.00 0.00 52.86 50.94 3pcj s ASN 28 Cb 0.00 -0.16 -0.09 0.00 0.41 0.00 0.00 41.25 41.40 3pcj s ASN 28 CO 0.00 -0.10 1.12 -0.81 -1.51 0.00 0.00 177.10 175.80 3pcj n PRO 29 N -0.20 1.54 -3.30 -0.60 -0.04 -1.26 -3.84 135.00 127.30 3pcj n PRO 29 Ca -0.09 0.55 -0.19 0.00 -0.04 0.00 0.00 63.50 63.73 3pcj n PRO 29 Cb 0.59 -2.20 -0.01 0.00 -0.04 0.00 0.00 33.50 31.84 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 -1.27 2.80 0.51 0.52 -4.23 -1.26 -4.82 115.64 107.89 3pcj s THR 30 Ca 0.64 -1.18 0.05 0.00 -1.18 0.00 0.00 61.69 60.02 3pcj s THR 30 Cb -0.52 -2.98 0.03 0.00 1.34 0.00 0.00 72.50 70.37 3pcj s THR 30 CO 0.56 0.00 0.70 -0.13 -0.54 0.00 0.00 174.62 175.21 3pcj s ARG 31 N -4.24 2.59 0.10 3.99 0.52 -1.26 -5.03 118.95 115.62 3pcj s ARG 31 Ca 0.51 -1.11 -0.24 0.00 -0.52 0.00 0.00 55.73 54.37 3pcj s ARG 31 Cb -0.06 -2.62 -0.08 0.00 0.52 0.00 0.00 34.95 32.71 3pcj s ARG 31 CO 0.30 -0.58 1.41 -0.44 0.02 0.00 0.00 175.30 176.01 3pcj h ASP 32 N 0.30 -1.40 -3.47 0.23 3.32 -2.07 -3.38 116.42 109.96 3pcj h ASP 32 Ca -0.39 0.18 -0.65 0.00 0.02 0.00 0.00 57.03 56.19 3pcj h ASP 32 Cb 1.29 0.57 -0.25 0.00 0.22 0.00 0.00 39.33 41.16 3pcj h ASP 32 CO 0.47 -0.30 -0.68 -1.10 -1.72 0.00 0.00 179.24 175.91 3pcj s GLN 33 N -4.96 3.51 0.19 3.56 -0.21 -1.26 -5.10 119.66 115.40 3pcj s GLN 33 Ca -0.11 -0.56 0.10 0.00 0.02 0.00 0.00 55.36 54.81 3pcj s GLN 33 Cb 0.06 -3.10 -0.04 0.00 1.00 0.00 0.00 33.01 30.93 3pcj s GLN 33 CO 0.46 -0.13 -0.20 -1.21 -2.12 0.00 0.00 175.29 172.09 3pcj s GLU 34 N 1.35 1.41 -0.39 2.91 0.41 -1.26 -5.12 118.70 118.01 3pcj s GLU 34 Ca 0.04 -1.51 -0.10 0.00 -0.41 0.00 0.00 54.97 52.99 3pcj s GLU 34 Cb -0.15 -1.52 0.04 0.00 -1.78 0.00 0.00 34.13 30.73 3pcj s GLU 34 CO 0.00 0.31 0.22 0.42 -0.49 0.00 0.00 175.26 175.72 3pcj s ILE 35 N -2.08 4.45 0.00 -1.63 1.01 -1.26 -5.05 121.20 116.64 3pcj s ILE 35 Ca 0.20 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3pcj s ILE 35 Cb -0.06 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.85 3pcj s ILE 35 CO 0.09 -0.32 0.00 1.87 0.00 0.00 0.00 174.94 176.57 3pcj n TRP 36 N 4.97 0.00 1.57 3.97 -0.00 -1.26 -4.55 117.44 122.14 3pcj n TRP 36 Ca -0.11 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.40 3pcj n TRP 36 Cb 0.45 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.79 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 0.00 0.60 -4.06 5.87 0.23 -0.20 -2.34 115.26 115.36 3pcj n ASN 37 Ca 0.00 -2.02 -0.35 0.00 -0.53 0.00 0.00 54.58 51.68 3pcj n ASN 37 Cb 0.00 -0.16 -0.11 0.00 -2.08 0.00 0.00 39.78 37.44 3pcj n ASN 37 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 3pcj s ARG 38 N -1.73 2.38 0.27 -3.83 3.52 -1.26 0.41 118.95 118.71 3pcj s ARG 38 Ca 0.04 -2.53 0.13 0.00 -0.13 0.00 0.00 55.73 53.24 3pcj s ARG 38 Cb 0.03 -3.61 0.28 0.00 -1.56 0.00 0.00 34.95 30.09 3pcj s ARG 38 CO 0.03 -1.15 1.55 -0.07 -0.81 0.00 0.00 175.30 174.84 3pcj h LEU 39 N 6.91 0.00 -8.62 -0.88 4.07 -0.26 -3.45 115.31 113.09 3pcj h LEU 39 Ca -0.03 0.00 -0.65 0.00 0.08 0.00 0.00 57.88 57.27 3pcj h LEU 39 Cb 0.94 0.00 -0.28 0.00 1.08 0.00 0.00 40.66 42.40 3pcj h LEU 39 CO 0.70 0.61 -0.87 0.00 -1.08 0.00 0.00 178.44 177.81 3pcj s ALA 40 N -3.31 2.03 0.28 1.53 0.00 -1.18 -0.85 121.76 120.26 3pcj s ALA 40 Ca 0.00 -1.13 -0.06 0.00 0.00 0.00 0.00 51.96 50.78 3pcj s ALA 40 Cb 0.11 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 3pcj s ALA 40 CO 0.75 0.48 0.56 0.15 0.00 0.00 0.00 175.76 177.70 3pcj s LYS 41 N -0.97 3.67 0.34 0.00 1.02 0.33 -4.83 119.74 119.31 3pcj s LYS 41 Ca 0.10 0.07 0.14 0.00 0.02 0.00 0.00 55.97 56.30 3pcj s LYS 41 Cb -0.09 -2.64 1.12 0.00 -0.52 0.00 0.00 37.83 35.69 3pcj s LYS 41 CO 0.01 0.23 1.59 -1.35 -0.92 0.00 0.00 175.35 174.91 3pcj h PRO 42 N 1.85 0.06 -0.93 -1.68 0.11 -2.00 0.50 132.00 129.90 3pcj h PRO 42 Ca -0.47 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 3pcj h PRO 42 Cb 1.19 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.16 3pcj h PRO 42 CO 0.67 0.04 0.25 -0.40 -0.21 0.00 0.00 178.00 178.35 3pcj n ASP 43 N -5.29 3.47 -4.78 -2.05 5.75 -1.26 -4.87 116.55 107.52 3pcj n ASP 43 Ca 0.32 -2.77 -0.38 0.00 -0.01 0.00 0.00 54.79 51.95 3pcj n ASP 43 Cb 1.07 -0.66 -0.06 0.00 -1.03 0.00 0.00 41.12 40.44 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 -1.85 3.59 0.47 2.12 0.00 0.17 -5.02 121.76 121.24 3pcj s ALA 44 Ca 0.31 -0.18 -0.23 0.00 0.00 0.00 0.00 51.96 51.86 3pcj s ALA 44 Cb 0.25 -2.53 -0.07 0.00 0.00 0.00 0.00 23.12 20.78 3pcj s ALA 44 CO 0.07 0.25 1.21 -1.25 0.00 0.00 0.00 175.76 176.04 3pcj s PRO 45 N -0.31 3.66 0.00 0.00 0.04 -1.26 -4.90 135.00 132.23 3pcj s PRO 45 Ca 0.25 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.17 3pcj s PRO 45 Cb -0.16 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.97 3pcj s PRO 45 CO 0.12 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.91 3pcj n GLY 46 N 0.52 2.42 3.64 0.56 0.00 -1.26 -4.47 105.19 106.59 3pcj n GLY 46 Ca 0.08 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.04 4.01 0.06 1.61 2.12 -1.26 -4.92 118.70 118.29 3pcj s GLU 47 Ca 0.00 1.15 -0.31 0.00 0.36 0.00 0.00 54.97 56.18 3pcj s GLU 47 Cb 0.00 -3.79 -0.07 0.00 0.26 0.00 0.00 34.13 30.53 3pcj s GLU 47 CO 0.00 -0.98 1.35 -1.01 -0.54 0.00 0.00 175.26 174.08 3pcj s HIS 48 N 3.92 3.14 0.13 5.30 3.76 -1.26 -0.89 115.29 129.39 3pcj s HIS 48 Ca 0.50 0.98 0.02 0.00 -0.15 0.00 0.00 55.06 56.40 3pcj s HIS 48 Cb -0.14 -3.62 -0.04 0.00 1.11 0.00 0.00 32.58 29.88 3pcj s HIS 48 CO 0.19 -2.18 -0.04 0.96 -0.85 0.00 0.00 174.74 172.82 3pcj s ILE 49 N 1.57 0.69 -0.15 0.60 -4.36 0.69 -4.63 121.20 115.62 3pcj s ILE 49 Ca 0.63 -1.96 -0.00 0.00 -0.26 0.00 0.00 60.65 59.06 3pcj s ILE 49 Cb -0.33 -1.88 -0.01 0.00 1.25 0.00 0.00 42.46 41.49 3pcj s ILE 49 CO 0.29 -0.69 -0.13 -0.22 0.24 0.00 0.00 174.94 174.42 3pcj s LEU 50 N -3.10 2.66 -0.05 0.37 2.96 -0.65 -2.07 118.68 118.80 3pcj s LEU 50 Ca 0.17 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3pcj s LEU 50 Cb 0.05 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 3pcj s LEU 50 CO -0.01 0.13 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.26 3pcj s LEU 51 N 0.59 2.82 0.05 -0.68 1.43 0.18 -1.54 118.68 121.52 3pcj s LEU 51 Ca -0.08 -0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 52.69 3pcj s LEU 51 Cb -0.16 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.52 3pcj s LEU 51 CO 0.03 0.35 0.39 -1.48 0.23 0.00 0.00 176.35 175.87 3pcj s LEU 52 N -0.74 0.52 -0.07 1.79 -0.00 -0.84 -1.03 118.68 118.30 3pcj s LEU 52 Ca 0.12 -0.06 -0.32 0.00 -0.00 0.00 0.00 54.13 53.87 3pcj s LEU 52 Cb -0.11 1.65 0.14 0.00 -0.00 0.00 0.00 46.19 47.87 3pcj s LEU 52 CO 0.01 -0.66 1.38 -0.83 -0.00 0.00 0.00 176.35 176.25 3pcj s GLY 53 N -2.04 -0.45 0.23 -3.48 0.00 -1.05 -0.80 107.32 99.73 3pcj s GLY 53 Ca -0.05 0.81 0.12 0.00 0.00 0.00 0.00 44.72 45.59 3pcj s GLY 53 CO -0.03 0.67 -0.21 1.20 0.00 0.00 0.00 173.10 174.73 3pcj s GLN 54 N -2.15 1.64 -0.12 2.90 -0.21 -1.26 -1.41 119.66 119.05 3pcj s GLN 54 Ca 0.16 -1.62 -0.00 0.00 0.02 0.00 0.00 55.36 53.92 3pcj s GLN 54 Cb 0.06 -1.84 -0.02 0.00 1.00 0.00 0.00 33.01 32.22 3pcj s GLN 54 CO -0.05 0.37 -0.12 0.08 -2.12 0.00 0.00 175.29 173.44 3pcj s VAL 55 N -2.06 3.15 0.03 1.09 1.01 -1.26 -1.29 120.40 121.07 3pcj s VAL 55 Ca 0.25 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.67 3pcj s VAL 55 Cb -0.07 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3pcj s VAL 55 CO 0.13 0.53 -0.20 -0.31 0.00 0.00 0.00 175.10 175.25 3pcj s TYR 56 N 0.22 2.51 0.68 5.22 2.02 -0.34 -1.10 117.35 126.56 3pcj s TYR 56 Ca -0.08 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 3pcj s TYR 56 Cb -0.15 -1.46 0.11 0.00 -0.40 0.00 0.00 41.96 40.05 3pcj s TYR 56 CO 0.05 0.21 0.94 0.16 -1.57 0.00 0.00 175.55 175.33 3pcj s ASP 57 N -1.29 4.57 0.63 2.29 1.47 0.33 -1.16 116.67 123.50 3pcj s ASP 57 Ca 0.13 -0.35 0.34 0.00 1.18 0.00 0.00 52.55 53.86 3pcj s ASP 57 Cb -0.10 -0.13 1.94 0.00 -0.34 0.00 0.00 42.92 44.29 3pcj s ASP 57 CO 0.04 -1.70 2.20 1.23 0.68 0.00 0.00 175.17 177.62 3pcj h GLY 58 N -0.36 0.00 -1.51 2.12 0.00 -1.88 -0.68 103.07 100.75 3pcj h GLY 58 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3pcj h GLY 58 CO 0.42 0.00 -0.06 0.70 0.00 0.00 0.00 176.54 177.60 3pcj n ASN 59 N -3.46 2.58 0.00 0.19 3.02 -1.26 -4.70 115.26 111.63 3pcj n ASN 59 Ca -0.01 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 3pcj n ASN 59 Cb 0.20 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 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 1.33 0.67 3.87 7.41 0.00 -0.26 -5.06 105.19 113.15 3pcj n GLY 60 Ca 0.14 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 3.46 0.41 1.61 3.76 -1.26 -4.76 115.29 116.51 3pcj s HIS 61 Ca 0.00 0.92 -0.24 0.00 -0.15 0.00 0.00 55.06 55.59 3pcj s HIS 61 Cb 0.00 -2.29 -0.08 0.00 1.11 0.00 0.00 32.58 31.32 3pcj s HIS 61 CO 0.00 0.30 1.12 -0.51 -0.85 0.00 0.00 174.74 174.80 3pcj s LEU 62 N -2.65 4.15 -0.57 0.89 1.43 -1.26 -0.51 118.68 120.15 3pcj s LEU 62 Ca 0.46 2.22 -0.14 0.00 -1.03 0.00 0.00 54.13 55.63 3pcj s LEU 62 Cb -0.12 -4.12 0.14 0.00 0.03 0.00 0.00 46.19 42.13 3pcj s LEU 62 CO 0.21 -0.64 0.51 -0.69 0.23 0.00 0.00 176.35 175.97 3pcj s VAL 63 N -1.52 5.08 -2.15 -1.59 1.01 -0.26 -4.83 120.40 116.13 3pcj s VAL 63 Ca 0.58 -1.71 0.16 0.00 0.00 0.00 0.00 61.98 61.02 3pcj s VAL 63 Cb -0.27 -4.25 0.39 0.00 0.00 0.00 0.00 36.38 32.25 3pcj s VAL 63 CO 0.34 -0.88 1.42 0.54 0.00 0.00 0.00 175.10 176.52 3pcj n ARG 64 N 4.98 1.76 -0.35 2.72 1.74 -1.26 -3.97 116.66 122.28 3pcj n ARG 64 Ca -0.09 -1.16 0.07 0.00 -0.77 0.00 0.00 57.85 55.91 3pcj n ARG 64 Cb 0.41 -1.34 0.13 0.00 -1.02 0.00 0.00 32.46 30.64 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 0.40 1.80 -4.84 0.55 5.68 -1.26 -4.08 116.55 114.80 3pcj n ASP 65 Ca 0.14 -3.10 -0.32 0.00 -0.50 0.00 0.00 54.79 51.02 3pcj n ASP 65 Cb 0.31 -0.42 -0.01 0.00 -1.14 0.00 0.00 41.12 39.87 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 -2.68 6.26 -0.04 -1.12 1.04 -1.25 -4.52 113.70 111.39 3pcj s SER 66 Ca 0.30 1.58 0.01 0.00 0.48 0.00 0.00 55.95 58.32 3pcj s SER 66 Cb 0.27 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.91 3pcj s SER 66 CO -0.01 -0.84 -0.03 0.12 0.98 0.00 0.00 173.24 173.46 3pcj s PHE 67 N -2.77 0.59 0.07 5.02 5.36 0.36 -2.55 117.98 124.06 3pcj s PHE 67 Ca 0.59 -0.13 0.06 0.00 -0.96 0.00 0.00 56.93 56.49 3pcj s PHE 67 Cb -0.12 -0.56 -0.03 0.00 -0.34 0.00 0.00 43.02 41.98 3pcj s PHE 67 CO 0.40 -0.16 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.32 3pcj s LEU 68 N 0.87 2.25 -0.02 6.12 1.02 -0.00 -0.12 118.68 128.80 3pcj s LEU 68 Ca -0.11 -0.59 0.06 0.00 0.02 0.00 0.00 54.13 53.51 3pcj s LEU 68 Cb -0.14 -0.73 -0.01 0.00 0.02 0.00 0.00 46.19 45.33 3pcj s LEU 68 CO -0.00 0.03 -0.20 -1.61 0.02 0.00 0.00 176.35 174.58 3pcj s GLU 69 N -1.59 1.70 0.10 1.70 2.02 -0.61 -1.32 118.70 120.70 3pcj s GLU 69 Ca 0.03 -0.73 0.07 0.00 0.02 0.00 0.00 54.97 54.36 3pcj s GLU 69 Cb -0.09 -1.63 -0.03 0.00 0.10 0.00 0.00 34.13 32.48 3pcj s GLU 69 CO 0.03 0.43 -0.19 0.14 0.02 0.00 0.00 175.26 175.68 3pcj s VAL 70 N -0.44 1.56 -0.04 2.63 -7.23 -0.22 -1.12 120.40 115.55 3pcj s VAL 70 Ca 0.07 -1.49 -0.02 0.00 -1.81 0.00 0.00 61.98 58.73 3pcj s VAL 70 Cb -0.08 -1.44 0.03 0.00 0.56 0.00 0.00 36.38 35.45 3pcj s VAL 70 CO -0.00 -0.10 0.05 0.86 -0.31 0.00 0.00 175.10 175.60 3pcj s TRP 71 N -1.20 0.05 0.06 2.82 -0.11 -0.41 -2.68 118.94 117.46 3pcj s TRP 71 Ca 0.04 0.23 -0.11 0.00 1.22 0.00 0.00 56.10 57.49 3pcj s TRP 71 Cb -0.10 -0.41 0.01 0.00 -1.50 0.00 0.00 33.47 31.46 3pcj s TRP 71 CO 0.04 -0.17 0.24 1.14 -4.62 0.00 0.00 176.95 173.58 3pcj s GLN 72 N 1.89 0.80 0.70 5.86 -2.07 -0.48 -0.92 119.66 125.44 3pcj s GLN 72 Ca 0.01 -0.72 -0.11 0.00 -1.82 0.00 0.00 55.36 52.72 3pcj s GLN 72 Cb -0.12 0.34 0.01 0.00 -1.09 0.00 0.00 33.01 32.14 3pcj s GLN 72 CO -0.03 -0.25 1.08 0.00 -1.32 0.00 0.00 175.29 174.76 3pcj s ALA 73 N -3.10 2.84 0.97 2.60 0.00 -1.26 -4.48 121.76 119.33 3pcj s ALA 73 Ca -0.01 -0.23 -0.10 0.00 0.00 0.00 0.00 51.96 51.61 3pcj s ALA 73 Cb 0.01 -3.06 0.15 0.00 0.00 0.00 0.00 23.12 20.22 3pcj s ALA 73 CO -0.07 -1.12 0.87 -0.40 0.00 0.00 0.00 175.76 175.04 3pcj n ASP 74 N -3.02 0.12 0.30 0.00 5.68 0.32 -4.42 116.55 115.54 3pcj n ASP 74 Ca 0.07 -1.35 0.17 0.00 -0.50 0.00 0.00 54.79 53.17 3pcj n ASP 74 Cb 0.56 -0.66 0.98 0.00 -1.14 0.00 0.00 41.12 40.86 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 -1.77 1.43 -0.10 2.12 0.00 -1.78 0.41 119.26 119.57 3pcj h ALA 75 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3pcj h ALA 75 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3pcj h ALA 75 CO 0.21 -0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.53 3pcj n ASN 76 N -3.68 1.33 -0.41 0.00 3.02 -1.26 -3.77 115.26 110.49 3pcj n ASN 76 Ca -0.03 -1.58 -0.04 0.00 -0.03 0.00 0.00 54.58 52.90 3pcj n ASN 76 Cb 0.09 -0.06 -0.00 0.00 -0.61 0.00 0.00 39.78 39.20 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 1.09 0.23 3.52 7.41 0.00 -0.04 -4.83 105.19 112.58 3pcj n GLY 77 Ca 0.17 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.13 2.19 -0.36 1.61 2.02 -1.25 -4.72 118.70 114.07 3pcj s GLU 78 Ca 0.00 -0.93 -0.16 0.00 0.02 0.00 0.00 54.97 53.90 3pcj s GLU 78 Cb 0.00 -2.29 -0.01 0.00 0.10 0.00 0.00 34.13 31.94 3pcj s GLU 78 CO 0.00 0.55 0.40 0.71 0.02 0.00 0.00 175.26 176.93 3pcj s TYR 79 N -1.01 3.20 -1.01 1.61 2.02 -1.26 0.12 117.35 121.02 3pcj s TYR 79 Ca 0.17 -0.05 -0.15 0.00 -0.37 0.00 0.00 57.07 56.66 3pcj s TYR 79 Cb -0.11 -2.74 0.18 0.00 -0.40 0.00 0.00 41.96 38.89 3pcj s TYR 79 CO 0.08 -0.49 1.14 -0.65 -1.57 0.00 0.00 175.55 174.06 3pcj s GLN 80 N 2.09 3.81 0.20 -0.62 -1.52 -1.26 -4.90 119.66 117.46 3pcj s GLN 80 Ca 0.13 -2.29 0.01 0.00 -1.95 0.00 0.00 55.36 51.26 3pcj s GLN 80 Cb -0.16 -4.83 0.15 0.00 -0.22 0.00 0.00 33.01 27.95 3pcj s GLN 80 CO 0.12 -1.62 1.50 0.38 -0.25 0.00 0.00 175.29 175.42 3pcj h ASP 81 N 7.92 0.38 -0.50 5.90 2.03 -1.97 -3.19 116.42 126.99 3pcj h ASP 81 Ca 0.20 -0.23 -0.25 0.00 -0.73 0.00 0.00 57.03 56.01 3pcj h ASP 81 Cb 0.97 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 39.32 3pcj h ASP 81 CO 1.07 0.94 0.73 0.00 -1.03 0.00 0.00 179.24 180.95 3pcj s ALA 82 N -3.69 1.49 0.52 4.15 0.00 -1.26 -4.93 121.76 118.03 3pcj s ALA 82 Ca -0.05 -1.73 -0.21 0.00 0.00 0.00 0.00 51.96 49.97 3pcj s ALA 82 Cb 0.11 -4.63 -0.07 0.00 0.00 0.00 0.00 23.12 18.53 3pcj s ALA 82 CO 0.82 -5.36 1.07 0.98 0.00 0.00 0.00 175.76 173.27 3pcj n TYR 83 N 15.29 1.29 -3.65 0.00 9.36 -1.26 -5.00 117.16 133.19 3pcj n TYR 83 Ca 0.43 0.48 -0.02 0.00 3.32 0.00 0.00 57.90 62.10 3pcj n TYR 83 Cb 0.46 -2.23 -0.07 0.00 -0.63 0.00 0.00 39.34 36.88 3pcj n TYR 83 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3pcj s ASN 84 N -0.96 -0.28 0.49 2.98 3.84 -1.26 -5.03 114.94 114.72 3pcj s ASN 84 Ca 0.70 0.48 0.31 0.00 0.21 0.00 0.00 52.86 54.55 3pcj s ASN 84 Cb -0.47 0.90 1.18 0.00 -0.55 0.00 0.00 41.25 42.31 3pcj s ASN 84 CO 0.52 -0.08 1.90 -0.07 -2.79 0.00 0.00 177.10 176.58 3pcj h LEU 85 N 4.95 0.00 0.00 3.21 3.38 -1.96 -2.88 115.31 122.01 3pcj h LEU 85 Ca -0.27 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.52 3pcj h LEU 85 Cb 1.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3pcj h LEU 85 CO 0.19 0.00 -0.97 -0.33 0.09 0.00 0.00 178.44 177.42 3pcj h GLU 86 N 0.00 0.00 -6.62 1.13 5.08 -2.00 -3.47 114.58 108.71 3pcj h GLU 86 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3pcj h GLU 86 Cb 0.56 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.96 3pcj h GLU 86 CO 0.00 0.70 -0.07 0.09 -1.00 0.00 0.00 179.01 178.73 3pcj n ASN 87 N -3.22 0.23 0.13 1.42 3.02 -1.09 -4.85 115.26 110.90 3pcj n ASN 87 Ca -0.02 0.88 0.02 0.00 -0.03 0.00 0.00 54.58 55.42 3pcj n ASN 87 Cb 0.88 -1.28 0.03 0.00 -0.61 0.00 0.00 39.78 38.79 3pcj n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pcj h ALA 88 N 0.81 0.66 -3.47 5.41 0.00 -1.91 -3.44 119.26 117.32 3pcj h ALA 88 Ca -0.45 -0.50 -0.23 0.00 0.00 0.00 0.00 54.91 53.73 3pcj h ALA 88 Cb 1.37 -0.09 -0.29 0.00 0.00 0.00 0.00 17.79 18.78 3pcj h ALA 88 CO 0.52 0.68 -0.63 0.12 0.00 0.00 0.00 179.25 179.94 3pcj s PHE 89 N -2.96 -0.09 -0.06 0.00 5.36 -1.26 0.12 117.98 119.09 3pcj s PHE 89 Ca 0.03 0.27 0.05 0.00 -0.96 0.00 0.00 56.93 56.32 3pcj s PHE 89 Cb 0.08 -0.04 -0.00 0.00 -0.34 0.00 0.00 43.02 42.72 3pcj s PHE 89 CO 0.75 -0.08 -0.22 -0.80 -1.46 0.00 0.00 175.22 173.42 3pcj s ASN 90 N 0.46 2.70 0.25 6.13 0.01 -0.03 -4.96 114.94 119.51 3pcj s ASN 90 Ca -0.03 -0.46 0.25 0.00 -0.71 0.00 0.00 52.86 51.90 3pcj s ASN 90 Cb -0.05 -0.88 0.93 0.00 0.41 0.00 0.00 41.25 41.67 3pcj s ASN 90 CO -0.02 0.19 1.74 -1.20 -1.51 0.00 0.00 177.10 176.30 3pcj n SER 91 N 3.18 0.74 -4.54 -1.22 7.64 -1.21 -4.75 113.62 113.47 3pcj n SER 91 Ca -0.18 0.64 -0.31 0.00 1.01 0.00 0.00 58.87 60.03 3pcj n SER 91 Cb 0.52 -0.82 -0.11 0.00 -1.01 0.00 0.00 64.21 62.80 3pcj n SER 91 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3pcj s PHE 92 N -3.26 2.75 0.31 1.43 5.36 -1.26 -1.38 117.98 121.92 3pcj s PHE 92 Ca 0.06 -0.14 -0.19 0.00 -0.96 0.00 0.00 56.93 55.70 3pcj s PHE 92 Cb 0.10 -1.53 0.04 0.00 -0.34 0.00 0.00 43.02 41.29 3pcj s PHE 92 CO 0.46 0.34 0.77 0.20 -1.46 0.00 0.00 175.22 175.53 3pcj s GLY 93 N -1.54 0.07 -0.03 13.12 0.00 -1.09 -4.83 107.32 113.02 3pcj s GLY 93 Ca 0.17 -0.45 -0.12 0.00 0.00 0.00 0.00 44.72 44.33 3pcj s GLY 93 CO 0.08 -0.09 0.26 0.50 0.00 0.00 0.00 173.10 173.85 3pcj s ARG 94 N -3.24 0.53 0.31 2.90 0.52 -0.99 -1.06 118.95 117.92 3pcj s ARG 94 Ca 0.13 -0.09 -0.13 0.00 -0.52 0.00 0.00 55.73 55.12 3pcj s ARG 94 Cb -0.05 0.24 0.02 0.00 0.52 0.00 0.00 34.95 35.67 3pcj s ARG 94 CO 0.08 -0.13 0.60 -0.08 0.02 0.00 0.00 175.30 175.79 3pcj s THR 95 N -0.96 0.00 0.19 0.02 -1.32 -0.43 -1.03 115.64 112.10 3pcj s THR 95 Ca -0.10 -1.28 -0.14 0.00 -1.21 0.00 0.00 61.69 58.96 3pcj s THR 95 Cb -0.05 -2.42 0.01 0.00 -1.51 0.00 0.00 72.50 68.53 3pcj s THR 95 CO 0.03 0.00 0.43 0.00 -2.21 0.00 0.00 174.62 172.87 3pcj s ALA 96 N -3.38 -0.54 -0.03 11.08 0.00 -1.26 -0.82 121.76 126.81 3pcj s ALA 96 Ca 0.20 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 51.50 3pcj s ALA 96 Cb -0.03 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.91 3pcj s ALA 96 CO 0.12 -0.75 0.37 0.95 0.00 0.00 0.00 175.76 176.45 3pcj s THR 97 N -3.92 5.11 0.38 0.00 -4.23 -1.06 -4.18 115.64 107.74 3pcj s THR 97 Ca 0.13 0.75 -0.27 0.00 -1.18 0.00 0.00 61.69 61.13 3pcj s THR 97 Cb 0.01 -3.68 -0.09 0.00 1.34 0.00 0.00 72.50 70.08 3pcj s THR 97 CO -0.01 0.56 1.27 0.42 -0.54 0.00 0.00 174.62 176.32 3pcj s THR 98 N -0.89 2.79 -1.35 3.99 -4.23 -1.19 -4.56 115.64 110.20 3pcj s THR 98 Ca 0.22 0.72 0.18 0.00 -1.18 0.00 0.00 61.69 61.63 3pcj s THR 98 Cb -0.16 -3.43 0.28 0.00 1.34 0.00 0.00 72.50 70.53 3pcj s THR 98 CO 0.12 0.12 1.53 0.49 -0.54 0.00 0.00 174.62 176.33 3pcj n PHE 99 N 0.32 0.00 0.00 3.99 3.72 -1.26 -1.51 117.46 122.72 3pcj n PHE 99 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3pcj n PHE 99 Cb 0.44 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.33 0.00 -0.27 4.37 5.75 -1.26 -4.79 116.55 119.02 3pcj n ASP 100 Ca 0.08 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.94 3pcj n ASP 100 Cb 0.15 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.47 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 -2.00 1.15 -3.19 2.12 0.00 -2.01 -3.47 119.26 111.87 3pcj h ALA 101 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3pcj h ALA 101 Cb 0.00 0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3pcj h ALA 101 CO 0.00 -0.30 -0.04 0.41 0.00 0.00 0.00 179.25 179.33 3pcj n GLY 102 N -1.34 0.24 3.20 0.00 0.00 -0.57 -4.93 105.19 101.80 3pcj n GLY 102 Ca 0.17 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.06 1.12 0.24 1.61 2.12 -1.26 -4.50 118.70 114.96 3pcj s GLU 103 Ca 0.02 -0.88 0.08 0.00 0.36 0.00 0.00 54.97 54.55 3pcj s GLU 103 Cb -0.00 -1.19 -0.04 0.00 0.26 0.00 0.00 34.13 33.16 3pcj s GLU 103 CO 0.06 0.30 0.09 1.67 -0.54 0.00 0.00 175.26 176.84 3pcj s TRP 104 N -0.88 2.93 0.03 5.30 1.48 -0.50 -3.16 118.94 124.14 3pcj s TRP 104 Ca 0.04 -0.15 -0.03 0.00 -1.06 0.00 0.00 56.10 54.91 3pcj s TRP 104 Cb -0.09 -1.33 -0.02 0.00 -1.16 0.00 0.00 33.47 30.87 3pcj s TRP 104 CO 0.02 0.56 0.02 0.95 -4.06 0.00 0.00 176.95 174.44 3pcj s THR 105 N -2.11 0.15 -0.11 0.66 -4.23 -1.26 -2.54 115.64 106.20 3pcj s THR 105 Ca 0.31 -1.20 -0.10 0.00 -1.18 0.00 0.00 61.69 59.52 3pcj s THR 105 Cb -0.08 -0.83 0.03 0.00 1.34 0.00 0.00 72.50 72.96 3pcj s THR 105 CO 0.22 -0.66 0.29 -0.22 -0.54 0.00 0.00 174.62 173.71 3pcj s LEU 106 N -2.08 0.90 -0.27 4.79 2.96 -0.20 -4.82 118.68 119.95 3pcj s LEU 106 Ca -0.06 0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 54.39 3pcj s LEU 106 Cb -0.02 0.99 0.02 0.00 0.50 0.00 0.00 46.19 47.68 3pcj s LEU 106 CO -0.05 -0.10 0.00 -1.00 -1.32 0.00 0.00 176.35 173.88 3pcj s HIS 107 N 0.14 3.12 0.00 5.38 3.76 0.17 -0.65 115.29 127.21 3pcj s HIS 107 Ca -0.00 -1.35 0.00 0.00 -0.15 0.00 0.00 55.06 53.56 3pcj s HIS 107 Cb -0.02 -2.14 0.00 0.00 1.11 0.00 0.00 32.58 31.53 3pcj s HIS 107 CO 0.00 -0.67 0.00 -2.37 -0.85 0.00 0.00 174.74 170.85 3pcj n THR 108 N 4.75 0.00 -4.57 1.30 5.66 -0.88 0.47 114.28 121.00 3pcj n THR 108 Ca -0.15 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.62 3pcj n THR 108 Cb 0.47 0.00 -0.14 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 -2.28 1.34 0.20 1.08 -7.23 -1.26 -0.22 120.40 112.02 3pcj s VAL 109 Ca 0.00 -0.97 -0.32 0.00 -1.81 0.00 0.00 61.98 58.89 3pcj s VAL 109 Cb 0.00 -1.17 -0.11 0.00 0.56 0.00 0.00 36.38 35.66 3pcj s VAL 109 CO 0.00 0.18 1.65 -0.75 -0.31 0.00 0.00 175.10 175.87 3pcj s LYS 110 N -0.91 4.16 0.36 4.82 2.20 -0.07 -4.83 119.74 125.47 3pcj s LYS 110 Ca 0.05 2.51 -0.26 0.00 -0.36 0.00 0.00 55.97 57.91 3pcj s LYS 110 Cb -0.08 -3.10 -0.09 0.00 -1.51 0.00 0.00 37.83 33.05 3pcj s LYS 110 CO 0.01 -0.69 1.09 -1.25 -0.36 0.00 0.00 175.35 174.15 3pcj s PRO 111 N 1.05 4.29 0.71 4.03 0.04 -1.26 -4.10 135.00 139.75 3pcj s PRO 111 Ca 0.72 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 3pcj s PRO 111 Cb -0.47 -2.77 0.01 0.00 0.04 0.00 0.00 34.50 31.31 3pcj s PRO 111 CO 0.33 -0.07 1.08 0.20 0.04 0.00 0.00 177.00 178.57 3pcj s GLY 112 N -1.26 1.64 0.33 0.56 0.00 -0.21 -4.66 107.32 103.73 3pcj s GLY 112 Ca 0.53 -0.18 -0.28 0.00 0.00 0.00 0.00 44.72 44.80 3pcj s GLY 112 CO 0.34 0.17 1.13 0.14 0.00 0.00 0.00 173.10 174.89 3pcj s VAL 113 N -3.21 3.35 0.06 1.40 1.01 -1.26 -4.37 120.40 117.38 3pcj s VAL 113 Ca 0.58 1.26 0.03 0.00 0.00 0.00 0.00 61.98 63.86 3pcj s VAL 113 Cb -0.12 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3pcj s VAL 113 CO 0.53 0.22 -0.10 0.68 0.00 0.00 0.00 175.10 176.43 3pcj s VAL 114 N -1.29 0.79 0.08 2.92 -7.23 -1.26 -4.51 120.40 109.90 3pcj s VAL 114 Ca 0.50 -1.21 -0.13 0.00 -1.81 0.00 0.00 61.98 59.33 3pcj s VAL 114 Cb -0.31 -0.84 -0.06 0.00 0.56 0.00 0.00 36.38 35.72 3pcj s VAL 114 CO 0.40 -0.33 0.45 0.20 -0.31 0.00 0.00 175.10 175.51 3pcj s ASN 115 N -1.70 6.75 1.15 4.85 -0.87 -1.26 -0.04 114.94 123.82 3pcj s ASN 115 Ca -0.06 0.93 -0.17 0.00 -1.57 0.00 0.00 52.86 51.99 3pcj s ASN 115 Cb -0.09 -2.23 0.25 0.00 -0.02 0.00 0.00 41.25 39.15 3pcj s ASN 115 CO 0.01 0.19 1.02 -0.46 -2.57 0.00 0.00 177.10 175.29 3pcj n ASN 116 N 1.13 -1.36 0.03 -1.22 6.94 0.23 -4.84 115.26 116.18 3pcj n ASN 116 Ca -0.09 -1.18 0.04 0.00 -0.02 0.00 0.00 54.58 53.33 3pcj n ASN 116 Cb 0.52 -0.88 0.45 0.00 -2.36 0.00 0.00 39.78 37.51 3pcj n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3pcj h ALA 117 N -2.41 1.73 0.00 -2.53 0.00 -1.99 -1.89 119.26 112.17 3pcj h ALA 117 Ca -0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3pcj h ALA 117 Cb 1.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3pcj h ALA 117 CO 0.24 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3pcj n ALA 118 N -2.48 2.53 -0.61 0.00 0.00 -1.26 -4.90 120.51 113.79 3pcj n ALA 118 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3pcj n ALA 118 Cb 0.07 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 0.88 0.70 3.77 0.00 0.00 -0.71 -5.06 105.19 104.76 3pcj n GLY 119 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.01 5.10 0.31 1.61 1.01 -1.26 -4.78 120.40 120.39 3pcj s VAL 120 Ca 0.00 0.91 -0.29 0.00 0.00 0.00 0.00 61.98 62.60 3pcj s VAL 120 Cb 0.00 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 3pcj s VAL 120 CO 0.00 0.44 1.19 -2.84 0.00 0.00 0.00 175.10 173.89 3pcj s PRO 121 N -0.11 4.49 0.05 2.72 0.02 -1.26 0.78 135.00 141.69 3pcj s PRO 121 Ca 0.25 1.98 0.01 0.00 0.02 0.00 0.00 61.00 63.26 3pcj s PRO 121 Cb -0.16 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 3pcj s PRO 121 CO 0.12 0.02 0.13 -1.64 -0.33 0.00 0.00 177.00 175.30 3pcj s MET 122 N -1.64 3.16 0.47 5.54 -1.94 0.95 -4.45 119.30 121.38 3pcj s MET 122 Ca 0.47 -0.53 -0.23 0.00 -1.71 0.00 0.00 55.69 53.69 3pcj s MET 122 Cb -0.35 -2.89 -0.07 0.00 2.01 0.00 0.00 34.83 33.53 3pcj s MET 122 CO 0.46 0.61 1.19 0.00 -0.01 0.00 0.00 175.02 177.26 3pcj s ALA 123 N -1.39 2.94 0.13 3.03 0.00 -1.26 -3.98 121.76 121.23 3pcj s ALA 123 Ca 0.30 0.98 -0.35 0.00 0.00 0.00 0.00 51.96 52.89 3pcj s ALA 123 Cb -0.12 -3.40 -0.16 0.00 0.00 0.00 0.00 23.12 19.43 3pcj s ALA 123 CO 0.22 -0.75 1.20 -2.30 0.00 0.00 0.00 175.76 174.13 3pcj n PRO 124 N -0.58 1.03 -3.53 0.00 -0.02 -1.26 -4.88 135.00 125.76 3pcj n PRO 124 Ca 0.08 0.37 -0.12 0.00 -2.02 0.00 0.00 63.50 61.81 3pcj n PRO 124 Cb 0.48 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 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 0.03 -0.40 -0.19 6.00 -3.43 -1.26 -4.44 115.29 111.59 3pcj s HIS 125 Ca 0.78 0.23 -0.02 0.00 -0.80 0.00 0.00 55.06 55.25 3pcj s HIS 125 Cb -0.92 0.41 -0.00 0.00 -1.43 0.00 0.00 32.58 30.63 3pcj s HIS 125 CO 0.51 -0.75 -0.11 0.42 -2.00 0.00 0.00 174.74 172.81 3pcj s ILE 126 N -3.42 2.91 0.07 -5.38 1.01 -0.53 -4.58 121.20 111.28 3pcj s ILE 126 Ca 0.00 -0.66 -0.28 0.00 0.00 0.00 0.00 60.65 59.70 3pcj s ILE 126 Cb 0.00 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 3pcj s ILE 126 CO -0.10 0.48 0.90 0.20 0.00 0.00 0.00 174.94 176.42 3pcj s ASN 127 N 1.20 7.38 -0.00 3.58 0.01 -0.10 0.06 114.94 127.06 3pcj s ASN 127 Ca 0.02 1.65 0.03 0.00 -0.71 0.00 0.00 52.86 53.85 3pcj s ASN 127 Cb -0.14 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 38.96 3pcj s ASN 127 CO -0.04 -0.07 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.74 3pcj s ILE 128 N 0.15 0.82 -0.12 0.60 1.01 -0.44 -1.29 121.20 121.93 3pcj s ILE 128 Ca 0.45 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.62 3pcj s ILE 128 Cb -0.22 -0.69 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 3pcj s ILE 128 CO 0.27 0.20 -0.17 -0.44 0.00 0.00 0.00 174.94 174.80 3pcj s SER 129 N -0.33 3.68 -0.08 3.58 0.01 -0.28 -1.31 113.70 118.96 3pcj s SER 129 Ca 0.03 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 56.89 3pcj s SER 129 Cb -0.04 -1.54 -0.02 0.00 0.21 0.00 0.00 66.02 64.62 3pcj s SER 129 CO -0.00 0.15 -0.12 -0.22 0.41 0.00 0.00 173.24 173.46 3pcj s LEU 130 N 0.40 2.85 0.05 2.44 2.96 0.52 -1.57 118.68 126.31 3pcj s LEU 130 Ca -0.13 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 3pcj s LEU 130 Cb -0.17 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3pcj s LEU 130 CO 0.06 0.30 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.90 3pcj s PHE 131 N -0.43 1.13 -0.17 5.38 0.40 0.83 -2.14 117.98 122.98 3pcj s PHE 131 Ca 0.05 -0.38 -0.35 0.00 -0.60 0.00 0.00 56.93 55.65 3pcj s PHE 131 Cb -0.12 -0.66 0.15 0.00 0.51 0.00 0.00 43.02 42.90 3pcj s PHE 131 CO 0.02 0.03 1.42 0.00 0.70 0.00 0.00 175.22 177.39 3pcj s ALA 132 N -0.97 -2.39 0.32 5.36 0.00 -1.26 -0.49 121.76 122.32 3pcj s ALA 132 Ca -0.00 1.35 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 3pcj s ALA 132 Cb -0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 23.12 22.91 3pcj s ALA 132 CO 0.01 -0.85 1.29 -0.98 0.00 0.00 0.00 175.76 175.23 3pcj s ARG 133 N -2.02 4.38 0.00 0.00 1.70 -1.26 -2.34 118.95 119.41 3pcj s ARG 133 Ca 0.14 2.17 0.00 0.00 -0.47 0.00 0.00 55.73 57.57 3pcj s ARG 133 Cb 0.04 -3.09 0.00 0.00 -0.57 0.00 0.00 34.95 31.33 3pcj s ARG 133 CO -0.05 -0.16 0.00 0.41 -1.08 0.00 0.00 175.30 174.42 3pcj n GLY 134 N 0.97 0.80 3.23 3.88 0.00 -1.26 -4.99 105.19 107.82 3pcj n GLY 134 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.35 3.67 0.17 -0.61 1.01 -0.99 -4.98 121.20 117.12 3pcj s ILE 135 Ca 0.00 -1.37 -0.09 0.00 0.00 0.00 0.00 60.65 59.19 3pcj s ILE 135 Cb 0.00 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.31 3pcj s ILE 135 CO 0.00 -0.31 1.58 0.78 0.00 0.00 0.00 174.94 176.99 3pcj h ASN 136 N 8.20 1.02 -3.96 3.58 2.35 -1.91 -3.33 115.58 121.53 3pcj h ASN 136 Ca -0.21 -0.36 -0.40 0.00 -0.55 0.00 0.00 56.30 54.78 3pcj h ASN 136 Cb 1.07 -0.28 -0.29 0.00 0.05 0.00 0.00 38.32 38.87 3pcj h ASN 136 CO 0.64 1.16 -0.78 -0.51 -1.65 0.00 0.00 177.43 176.29 3pcj s ILE 137 N -4.75 0.71 0.59 2.81 2.07 -1.26 -2.92 121.20 118.45 3pcj s ILE 137 Ca -0.11 -0.36 -0.20 0.00 -1.41 0.00 0.00 60.65 58.57 3pcj s ILE 137 Cb 0.13 -0.61 -0.03 0.00 0.13 0.00 0.00 42.46 42.07 3pcj s ILE 137 CO 0.87 0.21 1.28 -1.38 -1.91 0.00 0.00 174.94 174.01 3pcj s HIS 138 N -0.07 2.27 -0.08 3.50 -3.43 -1.26 -5.01 115.29 111.22 3pcj s HIS 138 Ca 0.01 1.46 -0.14 0.00 -0.80 0.00 0.00 55.06 55.60 3pcj s HIS 138 Cb -0.05 -3.65 -0.05 0.00 -1.43 0.00 0.00 32.58 27.40 3pcj s HIS 138 CO -0.00 -2.63 0.35 -0.51 -2.00 0.00 0.00 174.74 169.94 3pcj s LEU 139 N -3.95 4.37 -0.16 5.38 1.43 -0.91 -4.88 118.68 119.96 3pcj s LEU 139 Ca 0.77 0.74 -0.06 0.00 -1.03 0.00 0.00 54.13 54.55 3pcj s LEU 139 Cb -0.36 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 3pcj s LEU 139 CO 0.40 0.22 0.04 -1.00 0.23 0.00 0.00 176.35 176.24 3pcj s HIS 140 N -0.37 3.21 0.26 0.29 3.76 -1.26 -0.36 115.29 120.81 3pcj s HIS 140 Ca 0.21 0.04 -0.04 0.00 -0.15 0.00 0.00 55.06 55.11 3pcj s HIS 140 Cb -0.15 -2.00 -0.02 0.00 1.11 0.00 0.00 32.58 31.52 3pcj s HIS 140 CO 0.09 0.20 0.32 -0.08 -0.85 0.00 0.00 174.74 174.41 3pcj s THR 141 N 0.09 0.00 0.05 1.30 -1.32 -0.43 0.51 115.64 115.85 3pcj s THR 141 Ca 0.04 -1.74 0.06 0.00 -1.21 0.00 0.00 61.69 58.83 3pcj s THR 141 Cb -0.13 -2.44 -0.02 0.00 -1.51 0.00 0.00 72.50 68.40 3pcj s THR 141 CO 0.01 0.00 -0.17 -0.13 -2.21 0.00 0.00 174.62 172.13 3pcj s ARG 142 N -3.82 1.06 -0.22 7.08 0.52 -1.26 -1.32 118.95 120.99 3pcj s ARG 142 Ca 0.33 -0.88 -0.04 0.00 -0.52 0.00 0.00 55.73 54.62 3pcj s ARG 142 Cb 0.03 -1.13 -0.01 0.00 0.52 0.00 0.00 34.95 34.36 3pcj s ARG 142 CO 0.14 0.28 -0.03 -1.17 0.02 0.00 0.00 175.30 174.54 3pcj s LEU 143 N -1.31 2.98 0.22 2.53 0.20 0.11 -4.77 118.68 118.64 3pcj s LEU 143 Ca 0.03 -0.35 0.10 0.00 0.69 0.00 0.00 54.13 54.60 3pcj s LEU 143 Cb -0.09 -1.76 -0.04 0.00 -0.43 0.00 0.00 46.19 43.87 3pcj s LEU 143 CO 0.02 -0.01 -0.08 -0.31 -0.29 0.00 0.00 176.35 175.68 3pcj s TYR 144 N 1.40 2.60 -0.15 5.38 1.51 0.17 -1.45 117.35 126.82 3pcj s TYR 144 Ca 0.05 -0.24 -0.05 0.00 -1.01 0.00 0.00 57.07 55.82 3pcj s TYR 144 Cb -0.14 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.46 3pcj s TYR 144 CO -0.02 0.57 0.02 -0.06 -1.11 0.00 0.00 175.55 174.95 3pcj s PHE 145 N -2.02 3.17 0.59 2.71 0.40 -1.26 0.19 117.98 121.77 3pcj s PHE 145 Ca 0.28 -0.00 0.34 0.00 -0.60 0.00 0.00 56.93 56.94 3pcj s PHE 145 Cb -0.07 -1.96 1.98 0.00 0.51 0.00 0.00 43.02 43.47 3pcj s PHE 145 CO 0.17 0.19 2.28 0.38 0.70 0.00 0.00 175.22 178.93 3pcj h ASP 146 N 6.27 0.00 -0.49 1.36 2.03 -1.53 -2.63 116.42 121.43 3pcj h ASP 146 Ca -0.39 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 55.73 3pcj h ASP 146 Cb 1.18 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.58 3pcj h ASP 146 CO 0.64 0.01 0.22 -0.90 -1.03 0.00 0.00 179.24 178.18 3pcj n ASP 147 N -3.59 3.63 -1.50 4.15 5.68 -1.26 -3.88 116.55 119.78 3pcj n ASP 147 Ca -0.03 -2.79 0.03 0.00 -0.50 0.00 0.00 54.79 51.50 3pcj n ASP 147 Cb 0.09 -0.66 0.06 0.00 -1.14 0.00 0.00 41.12 39.47 3pcj n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pcj n GLU 148 N -0.12 0.58 -0.31 0.11 -0.58 -0.99 -4.90 120.64 114.43 3pcj n GLU 148 Ca 0.28 -2.46 0.16 0.00 -0.42 0.00 0.00 57.16 54.72 3pcj n GLU 148 Cb 1.04 -0.53 0.34 0.00 -0.57 0.00 0.00 31.44 31.72 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 1.21 1.43 -0.21 0.62 0.00 -1.76 0.49 119.26 121.03 3pcj h ALA 149 Ca -0.16 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3pcj h ALA 149 Cb 1.66 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 3pcj h ALA 149 CO 0.11 -0.54 0.03 1.96 0.00 0.00 0.00 179.25 180.81 3pcj h GLN 150 N 0.18 0.10 -0.24 0.00 4.20 -1.94 -1.32 115.11 116.09 3pcj h GLN 150 Ca 0.61 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 59.26 3pcj h GLN 150 Cb 1.30 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 3pcj h GLN 150 CO -0.70 0.07 -0.08 0.00 -0.67 0.00 0.00 178.83 177.45 3pcj h ALA 151 N 1.16 0.33 -0.96 3.87 0.00 -1.05 -3.18 119.26 119.43 3pcj h ALA 151 Ca 0.10 -0.28 0.14 0.00 0.00 0.00 0.00 54.91 54.87 3pcj h ALA 151 Cb 0.10 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 3pcj h ALA 151 CO -0.14 0.14 0.58 -0.91 0.00 0.00 0.00 179.25 178.92 3pcj h ASN 152 N 0.20 0.81 0.10 0.00 2.35 0.05 -0.76 115.58 118.33 3pcj h ASN 152 Ca 0.06 0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3pcj h ASN 152 Cb 0.55 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3pcj h ASN 152 CO 0.03 0.39 -0.18 0.00 -1.65 0.00 0.00 177.43 176.01 3pcj h ALA 153 N 1.56 1.50 -0.01 -0.83 0.00 -1.23 -2.78 119.26 117.47 3pcj h ALA 153 Ca 0.50 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3pcj h ALA 153 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3pcj h ALA 153 CO -0.31 0.36 -0.26 1.63 0.00 0.00 0.00 179.25 180.67 3pcj n LYS 154 N -4.25 1.16 -1.81 0.00 4.76 -0.36 -4.90 118.16 112.76 3pcj n LYS 154 Ca -0.01 -0.79 -0.42 0.00 -2.87 0.00 0.00 58.31 54.22 3pcj n LYS 154 Cb 0.29 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 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 8.99 0.00 0.00 0.00 0.13 -1.92 0.26 132.00 139.46 3pcj h PRO 156 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3pcj h PRO 156 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3pcj h PRO 156 CO 0.94 0.07 -0.11 0.28 -0.23 0.00 0.00 178.00 178.94 3pcj h VAL 157 N 0.00 1.70 -0.16 1.56 2.07 -1.94 -3.11 116.25 116.37 3pcj h VAL 157 Ca -0.00 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.19 3pcj h VAL 157 Cb 0.14 3.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 3pcj h VAL 157 CO 0.01 0.58 0.04 0.25 0.02 0.00 0.00 177.57 178.47 3pcj h LEU 158 N -1.00 0.20 -0.67 2.57 5.85 -1.85 -1.10 115.31 119.30 3pcj h LEU 158 Ca -0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3pcj h LEU 158 Cb 1.02 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3pcj h LEU 158 CO -0.02 0.20 0.00 0.78 -0.34 0.00 0.00 178.44 179.06 3pcj h ASN 159 N 0.22 0.00 1.47 1.25 2.35 -0.55 -2.78 115.58 117.55 3pcj h ASN 159 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3pcj h ASN 159 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3pcj h ASN 159 CO -0.00 0.00 0.00 -0.07 -1.65 0.00 0.00 177.43 175.71 3pcj h LEU 160 N 0.00 0.00 -8.93 1.61 3.38 -1.12 -3.42 115.31 106.82 3pcj h LEU 160 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3pcj h LEU 160 Cb 0.51 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3pcj h LEU 160 CO 0.00 0.00 1.09 -0.63 0.09 0.00 0.00 178.44 178.99 3pcj s ILE 161 N -3.38 3.85 0.17 1.22 1.01 -1.05 -4.92 121.20 118.10 3pcj s ILE 161 Ca 0.05 0.93 -0.26 0.00 0.00 0.00 0.00 60.65 61.37 3pcj s ILE 161 Cb 0.08 -3.95 0.03 0.00 0.01 0.00 0.00 42.46 38.62 3pcj s ILE 161 CO 0.59 -0.48 1.57 -0.33 0.00 0.00 0.00 174.94 176.29 3pcj h GLU 162 N 10.56 -0.22 -5.13 2.79 5.08 -1.89 -3.40 114.58 122.37 3pcj h GLU 162 Ca -0.30 0.02 -0.62 0.00 -1.00 0.00 0.00 59.36 57.45 3pcj h GLU 162 Cb 1.13 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 30.28 3pcj h GLU 162 CO 1.04 -0.15 -0.37 -0.65 -1.00 0.00 0.00 179.01 177.88 3pcj s GLN 163 N -5.83 4.05 0.48 2.33 -1.52 -1.26 -5.00 119.66 112.90 3pcj s GLN 163 Ca -0.14 -0.10 0.25 0.00 -1.95 0.00 0.00 55.36 53.42 3pcj s GLN 163 Cb 0.13 -3.60 1.30 0.00 -0.22 0.00 0.00 33.01 30.62 3pcj s GLN 163 CO 0.66 -0.11 1.87 -1.35 -0.25 0.00 0.00 175.29 176.11 3pcj h PRO 164 N 7.87 0.18 0.00 2.91 0.11 -1.98 -0.40 132.00 140.70 3pcj h PRO 164 Ca -0.35 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 3pcj h PRO 164 Cb 1.17 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3pcj h PRO 164 CO 0.64 0.12 -0.27 1.96 -0.21 0.00 0.00 178.00 180.24 3pcj h GLN 165 N 0.19 0.00 0.00 1.05 7.50 -1.95 -2.58 115.11 119.31 3pcj h GLN 165 Ca 0.45 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.55 3pcj h GLN 165 Cb 1.46 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.98 3pcj h GLN 165 CO -0.09 0.27 -0.23 0.00 -1.50 0.00 0.00 178.83 177.27 3pcj h ARG 166 N 0.00 0.00 -0.04 1.46 3.08 -1.46 -3.15 114.38 114.27 3pcj h ARG 166 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.94 3pcj h ARG 166 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3pcj h ARG 166 CO 0.04 0.23 -0.46 0.00 -1.07 0.00 0.00 179.97 178.71 3pcj h ARG 167 N 0.00 0.09 0.00 0.04 3.08 -1.47 -2.60 114.38 113.52 3pcj h ARG 167 Ca -0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3pcj h ARG 167 Cb 1.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 3pcj h ARG 167 CO 0.03 0.53 -0.11 0.93 -1.07 0.00 0.00 179.97 180.28 3pcj h GLU 168 N 0.07 0.00 0.00 0.04 5.08 -1.58 -2.19 114.58 116.00 3pcj h GLU 168 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3pcj h GLU 168 Cb 0.84 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 3pcj h GLU 168 CO 0.06 0.11 -0.10 1.79 -1.00 0.00 0.00 179.01 179.87 3pcj h THR 169 N 0.00 0.70 -0.03 1.13 1.35 -1.59 -2.67 112.91 111.80 3pcj h THR 169 Ca -0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3pcj h THR 169 Cb 0.21 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3pcj h THR 169 CO 0.01 0.10 0.00 0.18 -0.25 0.00 0.00 175.52 175.56 3pcj n LEU 170 N -3.88 1.14 -4.61 3.87 4.77 -0.82 -4.85 117.00 112.61 3pcj n LEU 170 Ca -0.02 -0.40 -0.37 0.00 -0.03 0.00 0.00 56.01 55.19 3pcj n LEU 170 Cb 0.19 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.16 3pcj n LEU 170 CO 0.31 0.20 -0.18 -0.63 -1.33 0.00 0.00 177.39 175.76 3pcj s ILE 171 N -1.97 5.24 0.24 -0.08 1.01 -1.01 -0.66 121.20 123.97 3pcj s ILE 171 Ca 0.39 0.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.91 3pcj s ILE 171 Cb 0.20 -3.47 -0.09 0.00 0.01 0.00 0.00 42.46 39.12 3pcj s ILE 171 CO 0.33 0.30 0.89 0.00 0.00 0.00 0.00 174.94 176.46 3pcj s ALA 172 N 1.40 3.34 -0.31 9.38 0.00 0.52 -4.87 121.76 131.22 3pcj s ALA 172 Ca 0.07 0.51 -0.15 0.00 0.00 0.00 0.00 51.96 52.40 3pcj s ALA 172 Cb -0.15 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 3pcj s ALA 172 CO 0.07 0.23 0.34 0.15 0.00 0.00 0.00 175.76 176.56 3pcj s LYS 173 N -1.42 3.75 0.23 0.00 1.02 -0.49 -1.30 119.74 121.52 3pcj s LYS 173 Ca 0.42 -0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.84 3pcj s LYS 173 Cb -0.23 -3.74 -0.09 0.00 -0.52 0.00 0.00 37.83 33.25 3pcj s LYS 173 CO 0.28 -0.41 1.30 0.50 -0.92 0.00 0.00 175.35 176.11 3pcj s ARG 174 N 2.00 4.39 0.00 1.68 3.52 -1.26 -0.64 118.95 128.64 3pcj s ARG 174 Ca 0.12 2.08 0.00 0.00 -0.13 0.00 0.00 55.73 57.80 3pcj s ARG 174 Cb -0.16 -3.17 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 3pcj s ARG 174 CO 0.11 -0.22 0.00 0.00 -0.81 0.00 0.00 175.30 174.38 3pcj s GLU 176 N -0.42 0.04 -0.14 0.00 2.12 -1.26 -1.53 118.70 117.51 3pcj s GLU 176 Ca 0.00 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.49 3pcj s GLU 176 Cb 0.00 -0.07 0.02 0.00 0.26 0.00 0.00 34.13 34.34 3pcj s GLU 176 CO 0.00 -0.07 -0.14 0.08 -0.54 0.00 0.00 175.26 174.59 3pcj s VAL 177 N 0.48 1.53 -1.54 3.70 1.01 0.44 -4.66 120.40 121.36 3pcj s VAL 177 Ca -0.04 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 3pcj s VAL 177 Cb -0.05 -1.44 0.09 0.00 0.00 0.00 0.00 36.38 34.97 3pcj s VAL 177 CO -0.02 0.45 0.85 0.47 0.00 0.00 0.00 175.10 176.86 3pcj n ASP 178 N 4.76 -3.62 0.00 3.32 8.00 -1.26 0.14 116.55 127.89 3pcj n ASP 178 Ca -0.17 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.47 3pcj n ASP 178 Cb 0.50 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 38.07 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 0.53 3.89 0.44 0.00 -1.26 -4.99 105.19 102.16 3pcj n GLY 179 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.49 3.65 -0.02 1.61 2.47 0.37 -5.04 119.74 122.29 3pcj s LYS 180 Ca 0.00 -0.02 -0.30 0.00 -1.56 0.00 0.00 55.97 54.09 3pcj s LYS 180 Cb 0.00 -2.94 -0.05 0.00 -1.46 0.00 0.00 37.83 33.38 3pcj s LYS 180 CO 0.00 0.53 1.35 0.99 0.16 0.00 0.00 175.35 178.38 3pcj s THR 181 N -1.51 3.86 0.22 3.43 2.01 -1.26 0.17 115.64 122.55 3pcj s THR 181 Ca 0.36 1.23 0.01 0.00 0.31 0.00 0.00 61.69 63.60 3pcj s THR 181 Cb -0.13 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 3pcj s THR 181 CO 0.21 -0.00 0.06 0.00 -0.69 0.00 0.00 174.62 174.20 3pcj s ALA 182 N 2.35 1.58 -0.06 7.40 0.00 -0.58 -1.63 121.76 130.81 3pcj s ALA 182 Ca 0.62 -1.76 -0.03 0.00 0.00 0.00 0.00 51.96 50.79 3pcj s ALA 182 Cb -0.30 0.86 0.04 0.00 0.00 0.00 0.00 23.12 23.72 3pcj s ALA 182 CO 0.25 -0.41 0.14 0.71 0.00 0.00 0.00 175.76 176.46 3pcj s TYR 183 N -3.72 -0.15 -0.17 0.00 2.02 -0.59 -0.49 117.35 114.25 3pcj s TYR 183 Ca 0.33 0.46 -0.08 0.00 -0.37 0.00 0.00 57.07 57.41 3pcj s TYR 183 Cb 0.07 -0.09 -0.04 0.00 -0.40 0.00 0.00 41.96 41.50 3pcj s TYR 183 CO 0.10 -0.16 0.11 0.50 -1.57 0.00 0.00 175.55 174.53 3pcj s ARG 184 N 1.13 3.86 -0.26 -0.62 3.52 0.19 -1.99 118.95 124.78 3pcj s ARG 184 Ca -0.09 -0.23 -0.03 0.00 -0.13 0.00 0.00 55.73 55.25 3pcj s ARG 184 Cb -0.11 -3.28 0.09 0.00 -1.56 0.00 0.00 34.95 30.09 3pcj s ARG 184 CO -0.06 0.46 0.10 0.12 -0.81 0.00 0.00 175.30 175.11 3pcj s PHE 185 N -0.12 0.75 -0.01 5.12 5.36 0.02 -1.40 117.98 127.71 3pcj s PHE 185 Ca 0.09 -1.01 -0.10 0.00 -0.96 0.00 0.00 56.93 54.96 3pcj s PHE 185 Cb -0.12 -1.09 -0.05 0.00 -0.34 0.00 0.00 43.02 41.42 3pcj s PHE 185 CO 0.00 -0.76 0.30 -0.51 -1.46 0.00 0.00 175.22 172.80 3pcj s ASP 186 N 1.95 6.59 -0.11 6.13 1.01 -1.26 -3.99 116.67 126.99 3pcj s ASP 186 Ca 0.07 0.70 -0.01 0.00 0.71 0.00 0.00 52.55 54.02 3pcj s ASP 186 Cb -0.16 -2.15 -0.03 0.00 1.01 0.00 0.00 42.92 41.59 3pcj s ASP 186 CO -0.26 0.29 -0.07 -0.63 0.21 0.00 0.00 175.17 174.72 3pcj s ILE 187 N -1.19 3.65 -0.33 0.77 1.01 -0.41 -4.97 121.20 119.72 3pcj s ILE 187 Ca 0.25 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.44 3pcj s ILE 187 Cb -0.14 -2.53 0.09 0.00 0.01 0.00 0.00 42.46 39.88 3pcj s ILE 187 CO 0.13 0.55 0.04 -0.13 0.00 0.00 0.00 174.94 175.53 3pcj s ARG 188 N -0.21 1.82 0.19 2.79 0.52 -1.26 -1.20 118.95 121.59 3pcj s ARG 188 Ca 0.03 -1.70 -0.10 0.00 -0.52 0.00 0.00 55.73 53.44 3pcj s ARG 188 Cb -0.13 -3.21 0.10 0.00 0.52 0.00 0.00 34.95 32.22 3pcj s ARG 188 CO 0.03 -0.86 1.71 0.82 0.02 0.00 0.00 175.30 177.01 3pcj h ILE 189 N 6.58 1.26 -3.91 1.52 2.04 -1.43 0.23 117.51 123.80 3pcj h ILE 189 Ca -0.10 -0.92 -0.16 0.00 1.00 0.00 0.00 64.86 64.67 3pcj h ILE 189 Cb 1.03 0.59 -0.21 0.00 -0.74 0.00 0.00 36.82 37.50 3pcj h ILE 189 CO 0.54 0.35 -0.66 -1.58 0.00 0.00 0.00 178.15 176.80 3pcj s GLN 190 N -5.34 0.35 1.39 2.37 0.74 -1.26 -4.72 119.66 113.19 3pcj s GLN 190 Ca -0.12 -0.59 0.00 0.00 0.05 0.00 0.00 55.36 54.70 3pcj s GLN 190 Cb 0.14 0.13 0.00 0.00 1.10 0.00 0.00 33.01 34.38 3pcj s GLN 190 CO 0.83 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.92 3pcj n GLY 191 N 1.53 -0.59 3.54 2.59 0.00 -1.26 -4.04 105.19 106.96 3pcj n GLY 191 Ca -0.24 -1.51 -0.53 0.00 0.00 0.00 0.00 46.02 43.74 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 1.15 -2.37 1.61 2.13 -1.26 -0.96 120.64 120.94 3pcj n GLU 192 Ca 0.00 0.37 -0.08 0.00 0.66 0.00 0.00 57.16 58.11 3pcj n GLU 192 Cb 0.00 -2.31 0.01 0.00 0.27 0.00 0.00 31.44 29.41 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 5.66 0.15 3.71 8.31 0.00 -1.26 -4.96 105.19 116.79 3pcj n GLY 193 Ca 0.36 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.88 2.65 -2.14 1.61 2.13 -0.13 -4.64 120.64 118.24 3pcj n GLU 194 Ca -0.07 0.96 -0.38 0.00 0.66 0.00 0.00 57.16 58.33 3pcj n GLU 194 Cb 0.56 -2.79 -0.00 0.00 0.27 0.00 0.00 31.44 29.47 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 1.31 2.83 0.25 6.31 2.01 0.07 -4.97 115.64 123.45 3pcj s THR 195 Ca 0.77 0.69 -0.30 0.00 0.31 0.00 0.00 61.69 63.16 3pcj s THR 195 Cb -0.54 -3.38 -0.09 0.00 0.01 0.00 0.00 72.50 68.50 3pcj s THR 195 CO 0.34 0.05 1.31 -0.69 -0.69 0.00 0.00 174.62 174.94 3pcj s VAL 196 N -1.38 3.02 -0.04 3.82 1.01 -1.26 -4.96 120.40 120.59 3pcj s VAL 196 Ca 0.60 0.90 0.04 0.00 0.00 0.00 0.00 61.98 63.53 3pcj s VAL 196 Cb -0.34 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 3pcj s VAL 196 CO 0.42 0.17 -0.17 -0.36 0.00 0.00 0.00 175.10 175.16 3pcj s PHE 197 N -0.37 1.70 0.24 5.22 0.08 -1.26 -4.67 117.98 118.93 3pcj s PHE 197 Ca 0.54 -0.49 0.06 0.00 0.12 0.00 0.00 56.93 57.16 3pcj s PHE 197 Cb -0.38 -1.15 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 3pcj s PHE 197 CO 0.43 -0.17 0.27 -0.06 -0.10 0.00 0.00 175.22 175.59 3pcj s PHE 198 N 0.05 3.26 -0.08 0.36 0.08 0.18 -4.98 117.98 116.87 3pcj s PHE 198 Ca -0.04 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 56.95 3pcj s PHE 198 Cb -0.12 -1.48 0.02 0.00 -0.57 0.00 0.00 43.02 40.87 3pcj s PHE 198 CO 0.02 0.49 -0.10 0.34 -0.10 0.00 0.00 175.22 175.87 3pcj s ASP 199 N -3.88 1.83 0.00 1.36 2.15 -1.26 -4.26 116.67 112.61 3pcj s ASP 199 Ca 0.33 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.03 3pcj s ASP 199 Cb -0.08 -0.79 0.00 0.00 -0.30 0.00 0.00 42.92 41.74 3pcj s ASP 199 CO 0.27 -0.03 0.00 2.22 -0.17 0.00 0.00 175.17 177.46