#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 4.55 -0.06 4.25 -1.09 -1.26 -5.07 121.20 122.53 3pcj s ILE 2 Ca 0.00 1.70 0.04 0.00 -2.23 0.00 0.00 60.65 60.16 3pcj s ILE 2 Cb 0.00 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.74 3pcj s ILE 2 CO 0.00 0.43 -0.17 -1.61 -1.23 0.00 0.00 174.94 172.36 3pcj s GLU 3 N -0.51 1.99 0.47 2.79 0.41 -1.26 -5.15 118.70 117.45 3pcj s GLU 3 Ca 0.38 -0.60 -0.00 0.00 -0.41 0.00 0.00 54.97 54.34 3pcj s GLU 3 Cb -0.22 -1.65 0.09 0.00 -1.78 0.00 0.00 34.13 30.58 3pcj s GLU 3 CO 0.25 0.16 0.65 1.28 -0.49 0.00 0.00 175.26 177.11 3pcj n LEU 4 N 3.43 0.00 -4.77 1.80 4.32 -1.26 -5.05 117.00 115.47 3pcj n LEU 4 Ca -0.20 -1.36 -0.38 0.00 -0.02 0.00 0.00 56.01 54.05 3pcj n LEU 4 Cb 0.53 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 3pcj n LEU 4 CO 0.26 -0.82 0.89 -0.76 -1.22 0.00 0.00 177.39 175.74 3pcj s LEU 5 N 0.00 4.03 0.41 2.23 1.43 -1.26 -4.98 118.68 120.53 3pcj s LEU 5 Ca 0.43 2.48 -0.24 0.00 -1.03 0.00 0.00 54.13 55.77 3pcj s LEU 5 Cb -0.02 -4.17 -0.09 0.00 0.03 0.00 0.00 46.19 41.94 3pcj s LEU 5 CO 0.28 -1.03 1.06 -2.84 0.23 0.00 0.00 176.35 174.05 3pcj s PRO 6 N -2.63 4.13 0.41 1.29 0.02 -1.26 -5.01 135.00 131.95 3pcj s PRO 6 Ca 0.64 1.53 -0.23 0.00 0.02 0.00 0.00 61.00 62.95 3pcj s PRO 6 Cb -0.33 -2.52 -0.09 0.00 0.02 0.00 0.00 34.50 31.58 3pcj s PRO 6 CO 0.41 -0.18 1.02 -2.00 -0.33 0.00 0.00 177.00 175.92 3pcj s GLU 7 N -2.53 4.15 0.29 5.54 2.12 -1.26 -4.96 118.70 122.05 3pcj s GLU 7 Ca 0.58 1.40 -0.30 0.00 0.36 0.00 0.00 54.97 57.02 3pcj s GLU 7 Cb -0.22 -2.43 -0.11 0.00 0.26 0.00 0.00 34.13 31.62 3pcj s GLU 7 CO 0.28 -0.13 1.61 0.99 -0.54 0.00 0.00 175.26 177.47 3pcj s THR 8 N -1.79 2.02 0.50 -1.70 2.01 -1.26 -4.94 115.64 110.48 3pcj s THR 8 Ca 0.59 0.02 -0.22 0.00 0.31 0.00 0.00 61.69 62.39 3pcj s THR 8 Cb -0.19 -3.01 -0.06 0.00 0.01 0.00 0.00 72.50 69.25 3pcj s THR 8 CO 0.23 0.00 1.19 -2.84 -0.69 0.00 0.00 174.62 172.52 3pcj s PRO 9 N -0.46 3.52 0.60 4.92 0.02 -1.26 -5.03 135.00 137.31 3pcj s PRO 9 Ca 0.64 1.82 -0.14 0.00 0.02 0.00 0.00 61.00 63.35 3pcj s PRO 9 Cb -0.48 -2.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.73 3pcj s PRO 9 CO 0.48 -0.77 1.03 0.45 -0.33 0.00 0.00 177.00 177.86 3pcj s SER 10 N -1.39 6.05 0.04 2.53 0.15 -1.26 -5.09 113.70 114.73 3pcj s SER 10 Ca 0.68 1.59 0.01 0.00 0.70 0.00 0.00 55.95 58.93 3pcj s SER 10 Cb -0.30 -2.50 -0.03 0.00 -1.71 0.00 0.00 66.02 61.48 3pcj s SER 10 CO 0.35 -0.99 -0.05 -1.10 1.20 0.00 0.00 173.24 172.66 3pcj s GLN 11 N -4.59 0.47 0.90 5.44 -1.52 -1.17 -4.88 119.66 114.31 3pcj s GLN 11 Ca 0.59 -0.83 -0.10 0.00 -1.95 0.00 0.00 55.36 53.06 3pcj s GLN 11 Cb -0.12 0.00 0.14 0.00 -0.22 0.00 0.00 33.01 32.80 3pcj s GLN 11 CO 0.44 -0.03 1.15 -0.08 -0.25 0.00 0.00 175.29 176.52 3pcj s THR 12 N -2.12 2.09 -0.25 -0.19 -1.32 -1.21 -4.75 115.64 107.90 3pcj s THR 12 Ca -0.07 0.03 0.18 0.00 -1.21 0.00 0.00 61.69 60.62 3pcj s THR 12 Cb -0.05 -2.10 0.11 0.00 -1.51 0.00 0.00 72.50 68.95 3pcj s THR 12 CO -0.03 -0.04 1.37 0.00 -2.21 0.00 0.00 174.62 173.71 3pcj h ALA 13 N -1.77 0.75 -0.08 11.08 0.00 -1.75 -3.50 119.26 123.99 3pcj h ALA 13 Ca -0.43 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.17 3pcj h ALA 13 Cb 1.27 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3pcj h ALA 13 CO 0.42 0.40 -0.02 0.41 0.00 0.00 0.00 179.25 180.47 3pcj n GLY 14 N 1.20 -1.61 0.19 0.00 0.00 -1.26 -4.02 105.19 99.69 3pcj n GLY 14 Ca 0.01 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.03 0.00 -0.67 1.61 0.13 -1.92 -3.23 132.00 127.88 3pcj h PRO 15 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3pcj h PRO 15 Cb 0.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.16 3pcj h PRO 15 CO 0.00 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.43 3pcj n TYR 16 N -2.74 1.37 -0.38 1.56 4.01 -1.26 -4.60 117.16 115.12 3pcj n TYR 16 Ca 0.03 -0.56 0.30 0.00 -0.16 0.00 0.00 57.90 57.51 3pcj n TYR 16 Cb 0.41 -0.19 0.56 0.00 -0.31 0.00 0.00 39.34 39.81 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 4.07 0.27 -0.67 -0.72 3.04 -1.69 0.23 116.25 120.78 3pcj h VAL 17 Ca 0.00 -0.08 0.06 0.00 -1.01 0.00 0.00 66.70 65.67 3pcj h VAL 17 Cb 1.33 0.02 -0.04 0.00 -2.01 0.00 0.00 31.29 30.60 3pcj h VAL 17 CO 0.18 0.04 0.44 0.45 -1.01 0.00 0.00 177.57 177.67 3pcj h HIS 18 N 0.22 0.69 0.00 3.17 3.86 -1.84 -0.89 115.15 120.36 3pcj h HIS 18 Ca 0.74 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.95 3pcj h HIS 18 Cb 2.05 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 30.29 3pcj h HIS 18 CO -0.01 0.37 -0.10 -0.84 0.86 0.00 0.00 177.93 178.21 3pcj h ILE 19 N 0.68 0.84 0.02 2.45 3.07 -1.18 -0.49 117.51 122.90 3pcj h ILE 19 Ca 0.29 -0.39 -0.38 0.00 1.55 0.00 0.00 64.86 65.93 3pcj h ILE 19 Cb 0.26 1.22 -0.06 0.00 -0.27 0.00 0.00 36.82 37.97 3pcj h ILE 19 CO -0.09 0.10 -2.33 0.61 -1.05 0.00 0.00 178.15 175.39 3pcj n GLY 20 N -1.06 -0.57 0.06 0.16 0.00 -0.59 -4.56 105.19 98.63 3pcj n GLY 20 Ca -0.02 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.18 1.25 -2.76 0.99 4.77 -0.44 -4.82 117.00 112.81 3pcj n LEU 21 Ca -0.39 -1.12 -0.10 0.00 -0.03 0.00 0.00 56.01 54.37 3pcj n LEU 21 Cb 1.04 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.20 3pcj n LEU 21 CO 0.34 0.30 0.28 0.00 -1.33 0.00 0.00 177.39 176.98 3pcj n ALA 22 N 0.03 -0.67 -0.35 -1.18 0.00 -0.29 -4.96 120.51 113.07 3pcj n ALA 22 Ca 0.01 -1.58 0.01 0.00 0.00 0.00 0.00 53.44 51.88 3pcj n ALA 22 Cb 0.07 -1.17 0.08 0.00 0.00 0.00 0.00 19.45 18.43 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 3.13 -1.19 0.12 0.00 4.07 -1.53 -1.36 115.31 118.55 3pcj h LEU 23 Ca -0.09 0.30 0.01 0.00 0.08 0.00 0.00 57.88 58.17 3pcj h LEU 23 Cb 1.08 0.68 -0.05 0.00 1.08 0.00 0.00 40.66 43.45 3pcj h LEU 23 CO 0.18 -0.30 -0.52 -0.08 -1.08 0.00 0.00 178.44 176.64 3pcj h GLU 24 N -0.01 -0.71 -0.84 1.13 4.81 -1.85 -0.48 114.58 116.62 3pcj h GLU 24 Ca 0.39 0.05 0.15 0.00 -0.13 0.00 0.00 59.36 59.82 3pcj h GLU 24 Cb 0.64 0.16 -0.10 0.00 0.63 0.00 0.00 28.75 30.08 3pcj h GLU 24 CO -0.97 -0.47 0.41 0.00 -0.73 0.00 0.00 179.01 177.25 3pcj h ALA 25 N -0.57 1.26 -0.43 2.92 0.00 -1.62 0.65 119.26 121.48 3pcj h ALA 25 Ca -0.01 0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.13 3pcj h ALA 25 Cb 0.74 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3pcj h ALA 25 CO -0.28 -0.14 0.34 0.00 0.00 0.00 0.00 179.25 179.17 3pcj h ALA 26 N 1.57 2.33 0.00 0.00 0.00 -0.69 -3.45 119.26 119.03 3pcj h ALA 26 Ca 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3pcj h ALA 26 Cb 0.70 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3pcj h ALA 26 CO -0.39 -0.56 0.00 0.41 0.00 0.00 0.00 179.25 178.71 3pcj n GLY 27 N -1.58 1.02 3.73 0.00 0.00 0.23 -4.95 105.19 103.63 3pcj n GLY 27 Ca 0.07 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.37 5.02 0.48 1.61 0.01 -0.25 -5.03 114.94 114.40 3pcj s ASN 28 Ca 0.00 -0.46 -0.23 0.00 -0.71 0.00 0.00 52.86 51.46 3pcj s ASN 28 Cb 0.00 -1.12 -0.07 0.00 0.41 0.00 0.00 41.25 40.48 3pcj s ASN 28 CO 0.00 -0.02 1.28 -2.16 -1.51 0.00 0.00 177.10 174.69 3pcj s PRO 29 N -3.76 3.58 0.43 -0.60 0.04 -1.26 -3.86 135.00 129.58 3pcj s PRO 29 Ca 0.32 2.06 0.08 0.00 0.04 0.00 0.00 61.00 63.50 3pcj s PRO 29 Cb -0.07 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 32.03 3pcj s PRO 29 CO 0.22 -0.78 0.53 0.95 0.04 0.00 0.00 177.00 177.97 3pcj s THR 30 N -1.38 2.85 0.63 1.26 -4.23 -1.26 -4.82 115.64 108.70 3pcj s THR 30 Ca 0.65 -1.09 0.03 0.00 -1.18 0.00 0.00 61.69 60.10 3pcj s THR 30 Cb -0.36 -2.94 0.10 0.00 1.34 0.00 0.00 72.50 70.63 3pcj s THR 30 CO 0.44 0.00 0.88 -0.13 -0.54 0.00 0.00 174.62 175.26 3pcj s ARG 31 N -4.31 2.05 0.12 3.99 0.52 -1.26 -5.02 118.95 115.05 3pcj s ARG 31 Ca 0.53 -1.26 -0.28 0.00 -0.52 0.00 0.00 55.73 54.20 3pcj s ARG 31 Cb -0.08 -2.48 -0.06 0.00 0.52 0.00 0.00 34.95 32.85 3pcj s ARG 31 CO 0.32 -1.10 1.60 -0.44 0.02 0.00 0.00 175.30 175.70 3pcj h ASP 32 N -0.15 -1.08 -3.47 0.23 5.19 -2.07 -3.40 116.42 111.65 3pcj h ASP 32 Ca -0.35 0.14 -0.66 0.00 -0.62 0.00 0.00 57.03 55.53 3pcj h ASP 32 Cb 1.28 0.43 -0.26 0.00 0.18 0.00 0.00 39.33 40.96 3pcj h ASP 32 CO 0.42 -0.42 -0.77 -1.10 -3.12 0.00 0.00 179.24 174.26 3pcj s GLN 33 N -5.96 3.19 0.02 3.56 -0.21 -1.26 -5.12 119.66 113.88 3pcj s GLN 33 Ca -0.16 -0.69 0.01 0.00 0.02 0.00 0.00 55.36 54.55 3pcj s GLN 33 Cb 0.09 -2.58 -0.02 0.00 1.00 0.00 0.00 33.01 31.50 3pcj s GLN 33 CO 0.65 0.30 -0.05 -1.21 -2.12 0.00 0.00 175.29 172.86 3pcj s GLU 34 N 0.11 0.36 -0.38 2.91 0.41 -1.26 -5.13 118.70 115.72 3pcj s GLU 34 Ca -0.06 -0.55 -0.18 0.00 -0.41 0.00 0.00 54.97 53.76 3pcj s GLU 34 Cb -0.15 -0.10 0.01 0.00 -1.78 0.00 0.00 34.13 32.11 3pcj s GLU 34 CO 0.05 0.01 0.51 0.42 -0.49 0.00 0.00 175.26 175.75 3pcj s ILE 35 N -1.14 5.01 0.00 -1.63 1.01 -1.26 -5.03 121.20 118.17 3pcj s ILE 35 Ca -0.10 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3pcj s ILE 35 Cb -0.08 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.37 3pcj s ILE 35 CO -0.00 -0.33 0.00 1.87 0.00 0.00 0.00 174.94 176.48 3pcj n TRP 36 N 5.78 0.00 0.21 3.97 -0.00 -1.26 -4.59 117.44 121.55 3pcj n TRP 36 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.44 3pcj n TRP 36 Cb 0.48 0.00 0.13 0.00 -0.00 0.00 0.00 31.31 31.93 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 3.00 -3.92 5.87 6.94 0.19 -1.72 115.26 125.62 3pcj n ASN 37 Ca 0.00 -2.45 -0.30 0.00 -0.02 0.00 0.00 54.58 51.81 3pcj n ASN 37 Cb 0.00 -0.59 -0.14 0.00 -2.36 0.00 0.00 39.78 36.69 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 -1.58 1.81 0.21 -3.83 6.06 -1.26 -0.06 118.95 120.30 3pcj s ARG 38 Ca 0.22 -2.43 0.09 0.00 -2.50 0.00 0.00 55.73 51.10 3pcj s ARG 38 Cb 0.17 -3.16 0.14 0.00 0.06 0.00 0.00 34.95 32.16 3pcj s ARG 38 CO 0.06 -1.09 1.48 -0.07 -2.50 0.00 0.00 175.30 173.18 3pcj h LEU 39 N 6.69 0.03 -8.43 -0.88 4.07 -0.89 -3.46 115.31 112.45 3pcj h LEU 39 Ca -0.07 -0.02 -0.51 0.00 0.08 0.00 0.00 57.88 57.36 3pcj h LEU 39 Cb 0.91 -0.01 -0.25 0.00 1.08 0.00 0.00 40.66 42.39 3pcj h LEU 39 CO 0.64 0.78 -0.82 0.00 -1.08 0.00 0.00 178.44 177.96 3pcj s ALA 40 N -3.28 1.45 0.17 1.53 0.00 -1.20 -0.35 121.76 120.08 3pcj s ALA 40 Ca -0.01 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 3pcj s ALA 40 Cb 0.12 -0.26 -0.06 0.00 0.00 0.00 0.00 23.12 22.91 3pcj s ALA 40 CO 0.79 0.31 0.47 0.15 0.00 0.00 0.00 175.76 177.47 3pcj s LYS 41 N -1.13 3.75 0.46 0.00 1.02 0.26 -4.83 119.74 119.27 3pcj s LYS 41 Ca 0.05 0.15 0.35 0.00 0.02 0.00 0.00 55.97 56.54 3pcj s LYS 41 Cb -0.08 -2.80 1.52 0.00 -0.52 0.00 0.00 37.83 35.95 3pcj s LYS 41 CO 0.01 0.42 1.60 -1.35 -0.92 0.00 0.00 175.35 175.11 3pcj h PRO 42 N 2.92 0.03 -0.94 -1.68 0.11 -2.00 0.21 132.00 130.64 3pcj h PRO 42 Ca -0.47 -0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 3pcj h PRO 42 Cb 1.17 -0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.15 3pcj h PRO 42 CO 0.70 0.02 0.28 -0.40 -0.21 0.00 0.00 178.00 178.38 3pcj n ASP 43 N -4.57 3.47 -4.79 -2.05 5.75 -1.26 -4.89 116.55 108.20 3pcj n ASP 43 Ca 0.40 -2.80 -0.37 0.00 -0.01 0.00 0.00 54.79 52.01 3pcj n ASP 43 Cb 1.60 -0.67 -0.07 0.00 -1.03 0.00 0.00 41.12 40.95 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 -1.86 3.70 0.60 2.12 0.00 0.74 -5.04 121.76 122.03 3pcj s ALA 44 Ca 0.31 -0.49 -0.19 0.00 0.00 0.00 0.00 51.96 51.59 3pcj s ALA 44 Cb 0.26 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 3pcj s ALA 44 CO 0.07 0.32 1.27 -1.25 0.00 0.00 0.00 175.76 176.17 3pcj s PRO 45 N -0.26 2.87 0.00 0.00 0.04 -1.26 -4.88 135.00 131.51 3pcj s PRO 45 Ca 0.16 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.21 3pcj s PRO 45 Cb -0.13 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3pcj s PRO 45 CO 0.05 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.17 3pcj n GLY 46 N 0.71 1.68 3.54 0.56 0.00 -1.26 -4.63 105.19 105.79 3pcj n GLY 46 Ca 0.14 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.60 3.41 0.02 1.61 2.12 -1.26 -4.95 118.70 118.05 3pcj s GLU 47 Ca 0.00 -0.08 -0.30 0.00 0.36 0.00 0.00 54.97 54.95 3pcj s GLU 47 Cb 0.00 -4.02 -0.07 0.00 0.26 0.00 0.00 34.13 30.30 3pcj s GLU 47 CO 0.00 -1.47 1.62 -1.01 -0.54 0.00 0.00 175.26 173.86 3pcj s HIS 48 N 4.10 2.34 0.16 5.30 3.76 -1.26 -1.21 115.29 128.49 3pcj s HIS 48 Ca 0.34 0.35 0.05 0.00 -0.15 0.00 0.00 55.06 55.65 3pcj s HIS 48 Cb -0.11 -3.91 -0.04 0.00 1.11 0.00 0.00 32.58 29.63 3pcj s HIS 48 CO 0.22 -3.66 -0.11 0.96 -0.85 0.00 0.00 174.74 171.29 3pcj s ILE 49 N 3.02 1.31 -0.14 0.60 -4.36 -0.13 -4.71 121.20 116.80 3pcj s ILE 49 Ca 0.72 -2.10 -0.00 0.00 -0.26 0.00 0.00 60.65 59.01 3pcj s ILE 49 Cb -0.37 -1.90 -0.01 0.00 1.25 0.00 0.00 42.46 41.43 3pcj s ILE 49 CO 0.31 -0.71 -0.14 -0.22 0.24 0.00 0.00 174.94 174.43 3pcj s LEU 50 N -3.21 2.63 -0.03 0.37 2.96 -0.64 -1.87 118.68 118.89 3pcj s LEU 50 Ca 0.18 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 3pcj s LEU 50 Cb 0.02 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 3pcj s LEU 50 CO 0.02 0.12 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.41 3pcj s LEU 51 N 0.60 3.49 -0.00 -0.68 1.43 0.21 -1.48 118.68 122.25 3pcj s LEU 51 Ca -0.08 0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 52.86 3pcj s LEU 51 Cb -0.16 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.16 3pcj s LEU 51 CO 0.03 0.31 0.39 -1.48 0.23 0.00 0.00 176.35 175.84 3pcj s LEU 52 N -1.33 0.50 0.08 1.79 0.05 -0.96 -0.88 118.68 117.93 3pcj s LEU 52 Ca 0.17 0.14 -0.26 0.00 0.05 0.00 0.00 54.13 54.24 3pcj s LEU 52 Cb -0.11 1.60 0.09 0.00 -2.05 0.00 0.00 46.19 45.71 3pcj s LEU 52 CO 0.07 -0.54 1.16 -0.83 -0.55 0.00 0.00 176.35 175.66 3pcj s GLY 53 N -1.54 -0.10 0.15 -3.48 0.00 -0.98 -1.27 107.32 100.10 3pcj s GLY 53 Ca -0.10 0.03 0.06 0.00 0.00 0.00 0.00 44.72 44.70 3pcj s GLY 53 CO 0.03 2.76 -0.14 1.20 0.00 0.00 0.00 173.10 176.96 3pcj s GLN 54 N -2.29 1.12 -0.08 2.90 -0.21 -1.26 -1.24 119.66 118.59 3pcj s GLN 54 Ca 0.22 -1.37 0.03 0.00 0.02 0.00 0.00 55.36 54.26 3pcj s GLN 54 Cb -0.00 -0.93 0.01 0.00 1.00 0.00 0.00 33.01 33.08 3pcj s GLN 54 CO 0.01 0.16 -0.18 0.08 -2.12 0.00 0.00 175.29 173.24 3pcj s VAL 55 N -2.54 1.62 -0.01 1.09 1.01 -1.26 -1.23 120.40 119.07 3pcj s VAL 55 Ca 0.14 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.41 3pcj s VAL 55 Cb -0.03 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 3pcj s VAL 55 CO 0.04 0.46 -0.16 -0.31 0.00 0.00 0.00 175.10 175.12 3pcj s TYR 56 N 0.51 2.62 0.76 5.22 2.02 0.10 -0.20 117.35 128.38 3pcj s TYR 56 Ca -0.17 -0.22 -0.04 0.00 -0.37 0.00 0.00 57.07 56.27 3pcj s TYR 56 Cb -0.17 -1.56 0.16 0.00 -0.40 0.00 0.00 41.96 39.99 3pcj s TYR 56 CO 0.06 0.19 1.04 -0.40 -1.57 0.00 0.00 175.55 174.88 3pcj n ASP 57 N 2.02 0.99 0.15 2.29 5.68 0.55 -0.64 116.55 127.59 3pcj n ASP 57 Ca -0.17 -1.93 0.11 0.00 -0.50 0.00 0.00 54.79 52.31 3pcj n ASP 57 Cb 0.52 -0.71 0.53 0.00 -1.14 0.00 0.00 41.12 40.32 3pcj n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3pcj n GLY 58 N -2.61 -1.07 0.56 6.12 0.00 -1.25 -2.11 105.19 104.82 3pcj n GLY 58 Ca 0.16 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.44 3pcj n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pcj n ASN 59 N -2.24 2.05 0.00 1.61 3.02 -1.26 -4.78 115.26 113.66 3pcj n ASN 59 Ca 0.00 -1.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.03 3pcj n ASN 59 Cb 0.13 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 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 1.37 0.74 3.88 7.41 0.00 -0.90 -5.06 105.19 112.64 3pcj n GLY 60 Ca 0.12 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 3.52 0.34 1.61 3.76 -1.26 -4.83 115.29 116.43 3pcj s HIS 61 Ca 0.00 0.36 -0.29 0.00 -0.15 0.00 0.00 55.06 54.99 3pcj s HIS 61 Cb 0.00 -1.84 -0.11 0.00 1.11 0.00 0.00 32.58 31.75 3pcj s HIS 61 CO 0.00 0.65 1.38 -0.51 -0.85 0.00 0.00 174.74 175.41 3pcj s LEU 62 N -1.75 4.38 -0.54 0.89 1.43 -1.26 -0.33 118.68 121.50 3pcj s LEU 62 Ca 0.25 2.82 -0.17 0.00 -1.03 0.00 0.00 54.13 56.00 3pcj s LEU 62 Cb -0.12 -3.65 0.11 0.00 0.03 0.00 0.00 46.19 42.55 3pcj s LEU 62 CO 0.16 -0.67 0.54 -0.69 0.23 0.00 0.00 176.35 175.91 3pcj s VAL 63 N -1.03 5.10 -2.28 -1.59 1.01 0.72 -4.83 120.40 117.50 3pcj s VAL 63 Ca 0.51 -1.23 0.21 0.00 0.00 0.00 0.00 61.98 61.47 3pcj s VAL 63 Cb -0.42 -4.33 0.46 0.00 0.00 0.00 0.00 36.38 32.08 3pcj s VAL 63 CO 0.56 -0.87 1.54 0.54 0.00 0.00 0.00 175.10 176.87 3pcj n ARG 64 N 5.56 1.74 -0.10 2.72 1.74 -1.26 -4.04 116.66 123.02 3pcj n ARG 64 Ca -0.12 -1.12 0.07 0.00 -0.77 0.00 0.00 57.85 55.91 3pcj n ARG 64 Cb 0.42 -1.40 0.12 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.35 2.48 -4.79 0.55 5.68 -1.26 -4.09 116.55 115.46 3pcj n ASP 65 Ca 0.16 -2.74 -0.34 0.00 -0.50 0.00 0.00 54.79 51.37 3pcj n ASP 65 Cb 0.33 -0.32 -0.01 0.00 -1.14 0.00 0.00 41.12 39.98 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 -2.18 5.96 -0.05 -1.12 1.04 -1.26 -4.60 113.70 111.49 3pcj s SER 66 Ca 0.25 1.97 0.02 0.00 0.48 0.00 0.00 55.95 58.66 3pcj s SER 66 Cb 0.21 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.78 3pcj s SER 66 CO 0.04 -1.05 -0.10 0.12 0.98 0.00 0.00 173.24 173.22 3pcj s PHE 67 N -2.07 1.25 0.02 5.02 5.36 0.12 -2.57 117.98 125.11 3pcj s PHE 67 Ca 0.68 -0.42 0.06 0.00 -0.96 0.00 0.00 56.93 56.28 3pcj s PHE 67 Cb -0.18 -0.94 -0.02 0.00 -0.34 0.00 0.00 43.02 41.54 3pcj s PHE 67 CO 0.28 -0.23 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.12 3pcj s LEU 68 N 0.64 2.12 -0.04 6.12 1.02 -0.62 0.10 118.68 128.01 3pcj s LEU 68 Ca -0.12 -0.43 0.06 0.00 0.02 0.00 0.00 54.13 53.66 3pcj s LEU 68 Cb -0.15 -0.83 -0.01 0.00 0.02 0.00 0.00 46.19 45.23 3pcj s LEU 68 CO 0.03 0.14 -0.21 -1.61 0.02 0.00 0.00 176.35 174.71 3pcj s GLU 69 N -0.89 2.11 0.09 1.70 2.02 -0.56 -1.64 118.70 121.53 3pcj s GLU 69 Ca 0.05 -0.77 0.10 0.00 0.02 0.00 0.00 54.97 54.37 3pcj s GLU 69 Cb -0.08 -1.85 -0.03 0.00 0.10 0.00 0.00 34.13 32.27 3pcj s GLU 69 CO 0.01 0.35 -0.25 0.14 0.02 0.00 0.00 175.26 175.52 3pcj s VAL 70 N -0.16 2.09 -0.05 2.63 -7.23 -0.56 -1.25 120.40 115.86 3pcj s VAL 70 Ca -0.01 -1.54 -0.02 0.00 -1.81 0.00 0.00 61.98 58.59 3pcj s VAL 70 Cb -0.12 -1.82 0.04 0.00 0.56 0.00 0.00 36.38 35.03 3pcj s VAL 70 CO 0.02 0.18 0.09 0.86 -0.31 0.00 0.00 175.10 175.94 3pcj s TRP 71 N -0.95 -0.01 0.08 2.82 -0.11 0.03 -2.47 118.94 118.33 3pcj s TRP 71 Ca 0.12 0.36 -0.07 0.00 1.22 0.00 0.00 56.10 57.72 3pcj s TRP 71 Cb -0.10 -0.42 -0.01 0.00 -1.50 0.00 0.00 33.47 31.44 3pcj s TRP 71 CO 0.04 -0.22 0.15 1.14 -4.62 0.00 0.00 176.95 173.44 3pcj s GLN 72 N 2.21 0.80 0.44 5.86 -2.07 -0.69 0.05 119.66 126.26 3pcj s GLN 72 Ca 0.04 -1.01 -0.09 0.00 -1.82 0.00 0.00 55.36 52.49 3pcj s GLN 72 Cb -0.12 0.32 -0.05 0.00 -1.09 0.00 0.00 33.01 32.06 3pcj s GLN 72 CO -0.04 -0.24 0.80 0.00 -1.32 0.00 0.00 175.29 174.49 3pcj s ALA 73 N -3.87 3.34 1.13 2.60 0.00 -1.26 -4.53 121.76 119.17 3pcj s ALA 73 Ca 0.05 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.62 3pcj s ALA 73 Cb 0.05 -2.70 0.16 0.00 0.00 0.00 0.00 23.12 20.63 3pcj s ALA 73 CO -0.11 -0.16 0.56 -0.40 0.00 0.00 0.00 175.76 175.65 3pcj n ASP 74 N -1.69 -1.64 0.25 0.00 5.68 0.97 -4.19 116.55 115.93 3pcj n ASP 74 Ca 0.02 -0.83 0.08 0.00 -0.50 0.00 0.00 54.79 53.57 3pcj n ASP 74 Cb 0.54 -0.52 0.63 0.00 -1.14 0.00 0.00 41.12 40.63 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 -2.40 1.76 -0.29 2.12 0.00 -1.82 0.36 119.26 118.98 3pcj h ALA 75 Ca -0.21 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3pcj h ALA 75 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3pcj h ALA 75 CO 0.14 0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.58 3pcj n ASN 76 N -4.29 2.22 -1.78 0.00 3.02 -1.26 -3.44 115.26 109.74 3pcj n ASN 76 Ca -0.03 -2.16 -0.14 0.00 -0.03 0.00 0.00 54.58 52.23 3pcj n ASN 76 Cb 0.16 -0.36 0.01 0.00 -0.61 0.00 0.00 39.78 38.99 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 0.71 -0.13 3.39 7.41 0.00 -0.42 -4.84 105.19 111.32 3pcj n GLY 77 Ca 0.11 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.99 2.40 -0.33 1.61 2.02 -1.25 -4.70 118.70 113.46 3pcj s GLU 78 Ca 0.10 -0.80 -0.22 0.00 0.02 0.00 0.00 54.97 54.07 3pcj s GLU 78 Cb -0.05 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.94 3pcj s GLU 78 CO 0.13 0.56 0.73 0.71 0.02 0.00 0.00 175.26 177.41 3pcj s TYR 79 N -0.59 3.18 -0.79 1.61 2.02 -1.26 -0.02 117.35 121.49 3pcj s TYR 79 Ca 0.09 0.63 -0.17 0.00 -0.37 0.00 0.00 57.07 57.25 3pcj s TYR 79 Cb -0.11 -3.20 0.15 0.00 -0.40 0.00 0.00 41.96 38.41 3pcj s TYR 79 CO 0.00 -0.59 0.88 -0.65 -1.57 0.00 0.00 175.55 173.62 3pcj s GLN 80 N 2.87 3.43 0.32 -0.62 -1.52 -1.26 -4.89 119.66 118.00 3pcj s GLN 80 Ca 0.29 -1.86 0.23 0.00 -1.95 0.00 0.00 55.36 52.08 3pcj s GLN 80 Cb -0.14 -4.56 0.26 0.00 -0.22 0.00 0.00 33.01 28.35 3pcj s GLN 80 CO 0.14 -1.55 1.41 0.38 -0.25 0.00 0.00 175.29 175.42 3pcj h ASP 81 N 8.59 0.00 -1.63 5.90 2.03 -1.97 -3.07 116.42 126.27 3pcj h ASP 81 Ca 0.00 -0.02 -0.61 0.00 -0.73 0.00 0.00 57.03 55.68 3pcj h ASP 81 Cb 1.05 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.44 3pcj h ASP 81 CO 0.99 0.01 1.25 0.00 -1.03 0.00 0.00 179.24 180.46 3pcj s ALA 82 N -3.25 2.86 0.12 4.15 0.00 -1.26 -4.95 121.76 119.42 3pcj s ALA 82 Ca 0.05 -2.19 -0.31 0.00 0.00 0.00 0.00 51.96 49.51 3pcj s ALA 82 Cb 0.08 -4.36 -0.09 0.00 0.00 0.00 0.00 23.12 18.75 3pcj s ALA 82 CO 0.71 -3.40 1.49 -0.47 0.00 0.00 0.00 175.76 174.09 3pcj s TYR 83 N 4.63 3.02 -0.28 0.00 6.14 -1.26 -4.99 117.35 124.61 3pcj s TYR 83 Ca 0.40 0.73 -0.20 0.00 0.64 0.00 0.00 57.07 58.64 3pcj s TYR 83 Cb -0.03 -3.81 0.08 0.00 0.42 0.00 0.00 41.96 38.62 3pcj s TYR 83 CO -0.05 -2.99 0.75 1.21 0.64 0.00 0.00 175.55 175.11 3pcj s ASN 84 N 1.38 -0.80 0.37 4.32 3.84 -1.26 -5.03 114.94 117.75 3pcj s ASN 84 Ca 0.68 1.40 0.27 0.00 0.21 0.00 0.00 52.86 55.42 3pcj s ASN 84 Cb -0.39 1.37 1.12 0.00 -0.55 0.00 0.00 41.25 42.80 3pcj s ASN 84 CO 0.31 -0.23 1.82 -0.07 -2.79 0.00 0.00 177.10 176.13 3pcj h LEU 85 N 5.92 0.00 0.00 3.21 3.38 -1.97 -2.33 115.31 123.52 3pcj h LEU 85 Ca -0.29 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3pcj h LEU 85 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3pcj h LEU 85 CO 0.11 0.00 -0.43 -0.33 0.09 0.00 0.00 178.44 177.88 3pcj h GLU 86 N 0.00 0.00 -7.00 1.13 5.08 -2.00 -3.47 114.58 108.32 3pcj h GLU 86 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3pcj h GLU 86 Cb 0.43 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.81 3pcj h GLU 86 CO 0.00 0.34 0.68 0.09 -1.00 0.00 0.00 179.01 179.12 3pcj n ASN 87 N -3.16 3.16 0.19 1.42 3.02 -0.88 -4.90 115.26 114.12 3pcj n ASN 87 Ca 0.02 1.08 0.05 0.00 -0.03 0.00 0.00 54.58 55.70 3pcj n ASN 87 Cb 0.68 -1.60 0.36 0.00 -0.61 0.00 0.00 39.78 38.61 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 2.05 1.06 -2.77 5.41 0.00 -1.90 -3.44 119.26 119.68 3pcj h ALA 88 Ca -0.51 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 53.93 3pcj h ALA 88 Cb 1.28 -0.06 -0.27 0.00 0.00 0.00 0.00 17.79 18.74 3pcj h ALA 88 CO 0.60 0.47 -0.33 0.12 0.00 0.00 0.00 179.25 180.10 3pcj s PHE 89 N -3.73 -0.50 -0.09 0.00 5.36 -1.26 0.92 117.98 118.68 3pcj s PHE 89 Ca -0.01 1.12 0.04 0.00 -0.96 0.00 0.00 56.93 57.12 3pcj s PHE 89 Cb 0.12 0.19 -0.01 0.00 -0.34 0.00 0.00 43.02 42.98 3pcj s PHE 89 CO 0.69 -0.29 -0.22 -0.80 -1.46 0.00 0.00 175.22 173.14 3pcj s ASN 90 N 1.12 3.26 0.53 6.13 0.01 0.53 -4.98 114.94 121.54 3pcj s ASN 90 Ca -0.08 -0.50 0.32 0.00 -0.71 0.00 0.00 52.86 51.90 3pcj s ASN 90 Cb -0.08 -1.26 1.30 0.00 0.41 0.00 0.00 41.25 41.63 3pcj s ASN 90 CO -0.09 0.19 1.96 0.28 -1.51 0.00 0.00 177.10 177.94 3pcj h SER 91 N 6.47 0.00 -3.41 -1.22 0.02 -1.77 -3.44 113.55 110.20 3pcj h SER 91 Ca -0.25 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.04 3pcj h SER 91 Cb 1.21 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.61 3pcj h SER 91 CO 0.48 0.05 -0.66 0.12 -1.14 0.00 0.00 176.83 175.69 3pcj s PHE 92 N -3.70 3.02 0.29 3.45 5.36 -1.26 -1.70 117.98 123.44 3pcj s PHE 92 Ca 0.01 0.04 -0.19 0.00 -0.96 0.00 0.00 56.93 55.83 3pcj s PHE 92 Cb 0.09 -1.64 0.02 0.00 -0.34 0.00 0.00 43.02 41.16 3pcj s PHE 92 CO 0.56 0.45 0.69 0.20 -1.46 0.00 0.00 175.22 175.66 3pcj s GLY 93 N -1.66 0.08 0.01 13.12 0.00 -1.03 -4.81 107.32 113.03 3pcj s GLY 93 Ca 0.20 -0.47 -0.01 0.00 0.00 0.00 0.00 44.72 44.44 3pcj s GLY 93 CO 0.11 -0.21 0.01 0.50 0.00 0.00 0.00 173.10 173.51 3pcj s ARG 94 N -3.73 0.24 0.24 2.90 0.52 -0.70 -1.49 118.95 116.93 3pcj s ARG 94 Ca 0.14 -0.36 -0.10 0.00 -0.52 0.00 0.00 55.73 54.89 3pcj s ARG 94 Cb -0.05 0.09 -0.01 0.00 0.52 0.00 0.00 34.95 35.50 3pcj s ARG 94 CO 0.08 -0.04 0.40 -0.08 0.02 0.00 0.00 175.30 175.68 3pcj s THR 95 N -0.95 0.00 0.13 0.02 -1.32 -0.65 -0.64 115.64 112.23 3pcj s THR 95 Ca -0.10 -1.55 -0.17 0.00 -1.21 0.00 0.00 61.69 58.66 3pcj s THR 95 Cb -0.06 -2.30 0.04 0.00 -1.51 0.00 0.00 72.50 68.67 3pcj s THR 95 CO -0.00 0.00 0.42 0.00 -2.21 0.00 0.00 174.62 172.83 3pcj s ALA 96 N -3.99 -1.01 0.12 11.08 0.00 -1.26 -1.60 121.76 125.10 3pcj s ALA 96 Ca 0.27 0.02 -0.15 0.00 0.00 0.00 0.00 51.96 52.09 3pcj s ALA 96 Cb 0.01 0.71 -0.07 0.00 0.00 0.00 0.00 23.12 23.78 3pcj s ALA 96 CO 0.10 -0.66 0.54 0.95 0.00 0.00 0.00 175.76 176.70 3pcj s THR 97 N -3.78 4.85 0.27 0.00 -4.23 -1.06 -4.15 115.64 107.53 3pcj s THR 97 Ca 0.03 0.90 -0.29 0.00 -1.18 0.00 0.00 61.69 61.14 3pcj s THR 97 Cb 0.01 -3.77 -0.09 0.00 1.34 0.00 0.00 72.50 70.00 3pcj s THR 97 CO -0.12 0.33 1.21 0.42 -0.54 0.00 0.00 174.62 175.92 3pcj s THR 98 N -1.36 3.22 -1.23 3.99 -4.23 -1.23 -4.63 115.64 110.17 3pcj s THR 98 Ca 0.35 1.16 0.12 0.00 -1.18 0.00 0.00 61.69 62.14 3pcj s THR 98 Cb -0.16 -3.74 0.16 0.00 1.34 0.00 0.00 72.50 70.10 3pcj s THR 98 CO 0.19 0.25 1.33 0.49 -0.54 0.00 0.00 174.62 176.34 3pcj n PHE 99 N 1.49 0.00 0.00 3.99 3.72 -1.26 -1.39 117.46 124.01 3pcj n PHE 99 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3pcj n PHE 99 Cb 0.44 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 -1.38 0.00 -0.37 4.37 5.75 -1.26 -4.78 116.55 118.87 3pcj n ASP 100 Ca 0.04 0.00 0.28 0.00 -0.01 0.00 0.00 54.79 55.11 3pcj n ASP 100 Cb 0.12 0.00 0.57 0.00 -1.03 0.00 0.00 41.12 40.77 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 2.43 -1.80 2.12 0.00 -2.01 -3.46 119.26 114.53 3pcj h ALA 101 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3pcj h ALA 101 Cb 0.00 0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.91 3pcj h ALA 101 CO 0.00 -0.93 -0.06 0.41 0.00 0.00 0.00 179.25 178.67 3pcj n GLY 102 N -1.49 0.63 3.41 0.00 0.00 -0.49 -4.97 105.19 102.29 3pcj n GLY 102 Ca 0.30 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.66 2.91 0.18 1.61 2.12 -1.26 -4.38 118.70 115.22 3pcj s GLU 103 Ca 0.03 -0.71 0.04 0.00 0.36 0.00 0.00 54.97 54.69 3pcj s GLU 103 Cb -0.01 -2.48 -0.03 0.00 0.26 0.00 0.00 34.13 31.87 3pcj s GLU 103 CO 0.06 0.42 0.26 1.67 -0.54 0.00 0.00 175.26 177.13 3pcj s TRP 104 N -0.19 3.37 0.04 5.30 1.48 -0.38 -3.54 118.94 125.02 3pcj s TRP 104 Ca -0.00 0.04 -0.04 0.00 -1.06 0.00 0.00 56.10 55.04 3pcj s TRP 104 Cb -0.13 -1.59 -0.02 0.00 -1.16 0.00 0.00 33.47 30.57 3pcj s TRP 104 CO 0.03 0.50 0.06 0.95 -4.06 0.00 0.00 176.95 174.43 3pcj s THR 105 N -1.82 0.15 -0.11 0.66 -4.23 -1.26 -2.33 115.64 106.70 3pcj s THR 105 Ca 0.33 -1.21 -0.08 0.00 -1.18 0.00 0.00 61.69 59.55 3pcj s THR 105 Cb -0.10 -0.95 0.03 0.00 1.34 0.00 0.00 72.50 72.82 3pcj s THR 105 CO 0.27 -0.67 0.28 -0.22 -0.54 0.00 0.00 174.62 173.74 3pcj s LEU 106 N -2.22 0.73 -0.33 4.79 2.96 -0.06 -4.81 118.68 119.74 3pcj s LEU 106 Ca -0.04 0.57 -0.08 0.00 -0.22 0.00 0.00 54.13 54.36 3pcj s LEU 106 Cb -0.00 0.92 0.02 0.00 0.50 0.00 0.00 46.19 47.63 3pcj s LEU 106 CO -0.05 -0.12 0.13 -1.00 -1.32 0.00 0.00 176.35 173.98 3pcj s HIS 107 N 0.54 3.20 0.00 5.38 3.76 0.92 -0.62 115.29 128.46 3pcj s HIS 107 Ca -0.03 -1.01 0.00 0.00 -0.15 0.00 0.00 55.06 53.87 3pcj s HIS 107 Cb -0.05 -2.32 0.00 0.00 1.11 0.00 0.00 32.58 31.32 3pcj s HIS 107 CO -0.03 -0.61 0.00 -2.37 -0.85 0.00 0.00 174.74 170.88 3pcj n THR 108 N 4.91 0.00 -4.40 1.30 5.66 -0.78 -0.23 114.28 120.74 3pcj n THR 108 Ca -0.13 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.66 3pcj n THR 108 Cb 0.47 0.00 -0.13 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 -1.77 1.22 0.07 1.08 -7.23 -1.26 -0.95 120.40 111.56 3pcj s VAL 109 Ca 0.00 -1.05 -0.31 0.00 -1.81 0.00 0.00 61.98 58.81 3pcj s VAL 109 Cb 0.00 -1.10 -0.09 0.00 0.56 0.00 0.00 36.38 35.75 3pcj s VAL 109 CO 0.00 0.03 1.71 -0.75 -0.31 0.00 0.00 175.10 175.78 3pcj s LYS 110 N -1.17 4.18 0.54 4.82 2.20 -0.35 -4.88 119.74 125.08 3pcj s LYS 110 Ca 0.03 2.40 -0.19 0.00 -0.36 0.00 0.00 55.97 57.84 3pcj s LYS 110 Cb -0.08 -3.65 -0.06 0.00 -1.51 0.00 0.00 37.83 32.53 3pcj s LYS 110 CO 0.01 -0.78 1.12 -1.25 -0.36 0.00 0.00 175.35 174.10 3pcj s PRO 111 N 2.83 3.37 1.00 4.03 0.04 -1.26 -4.20 135.00 140.81 3pcj s PRO 111 Ca 0.76 1.58 -0.17 0.00 0.04 0.00 0.00 61.00 63.21 3pcj s PRO 111 Cb -0.41 -2.01 0.22 0.00 0.04 0.00 0.00 34.50 32.34 3pcj s PRO 111 CO 0.34 -0.82 1.32 0.20 0.04 0.00 0.00 177.00 178.07 3pcj s GLY 112 N -1.83 1.79 0.21 0.56 0.00 0.11 -4.70 107.32 103.45 3pcj s GLY 112 Ca 0.72 -1.24 -0.20 0.00 0.00 0.00 0.00 44.72 44.00 3pcj s GLY 112 CO 0.27 -0.43 0.72 0.14 0.00 0.00 0.00 173.10 173.79 3pcj s VAL 113 N -3.85 4.56 0.07 1.40 1.01 -1.26 -4.47 120.40 117.86 3pcj s VAL 113 Ca 0.75 1.32 0.03 0.00 0.00 0.00 0.00 61.98 64.08 3pcj s VAL 113 Cb -0.03 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3pcj s VAL 113 CO 0.54 0.26 -0.10 0.68 0.00 0.00 0.00 175.10 176.48 3pcj s VAL 114 N -1.46 0.79 0.11 2.92 -7.23 -1.26 -4.46 120.40 109.81 3pcj s VAL 114 Ca 0.41 -1.34 -0.03 0.00 -1.81 0.00 0.00 61.98 59.21 3pcj s VAL 114 Cb -0.17 -0.99 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 3pcj s VAL 114 CO 0.21 -0.43 0.31 0.20 -0.31 0.00 0.00 175.10 175.08 3pcj s ASN 115 N -1.95 6.44 1.04 4.85 0.01 -1.26 -0.03 114.94 124.03 3pcj s ASN 115 Ca -0.03 0.45 -0.18 0.00 -0.71 0.00 0.00 52.86 52.40 3pcj s ASN 115 Cb -0.07 -2.04 0.24 0.00 0.41 0.00 0.00 41.25 39.79 3pcj s ASN 115 CO 0.00 0.10 1.31 0.54 -1.51 0.00 0.00 177.10 177.54 3pcj s ASN 116 N -2.46 2.43 0.56 -1.22 4.22 0.14 -4.86 114.94 113.75 3pcj s ASN 116 Ca 0.38 0.23 0.24 0.00 -2.14 0.00 0.00 52.86 51.58 3pcj s ASN 116 Cb -0.12 -0.22 1.59 0.00 1.28 0.00 0.00 41.25 43.78 3pcj s ASN 116 CO 0.26 -3.16 2.21 0.00 -2.04 0.00 0.00 177.10 174.37 3pcj h ALA 117 N -1.94 1.69 -0.21 3.54 0.00 -1.99 -1.27 119.26 119.09 3pcj h ALA 117 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3pcj h ALA 117 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3pcj h ALA 117 CO 0.32 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.58 3pcj n ALA 118 N -2.40 2.47 -1.00 0.00 0.00 -1.26 -4.90 120.51 113.42 3pcj n ALA 118 Ca -0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 53.44 53.04 3pcj n ALA 118 Cb 0.09 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.85 0.47 3.72 0.00 0.00 -0.48 -5.04 105.19 104.71 3pcj n GLY 119 Ca 0.08 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.00 5.29 0.43 1.61 1.01 -1.26 -4.76 120.40 120.72 3pcj s VAL 120 Ca 0.00 0.61 -0.25 0.00 0.00 0.00 0.00 61.98 62.34 3pcj s VAL 120 Cb 0.00 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 3pcj s VAL 120 CO 0.00 0.37 1.27 -2.16 0.00 0.00 0.00 175.10 174.59 3pcj s PRO 121 N 0.55 3.85 0.05 2.72 0.04 -1.26 0.25 135.00 141.20 3pcj s PRO 121 Ca 0.18 2.07 0.02 0.00 0.04 0.00 0.00 61.00 63.31 3pcj s PRO 121 Cb -0.13 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 3pcj s PRO 121 CO 0.05 -0.56 0.07 -1.64 0.04 0.00 0.00 177.00 174.95 3pcj s MET 122 N -2.39 2.90 0.63 4.56 -1.94 0.95 -4.41 119.30 119.61 3pcj s MET 122 Ca 0.60 -0.64 -0.17 0.00 -1.71 0.00 0.00 55.69 53.76 3pcj s MET 122 Cb -0.36 -2.75 -0.02 0.00 2.01 0.00 0.00 34.83 33.72 3pcj s MET 122 CO 0.46 0.59 1.19 0.00 -0.01 0.00 0.00 175.02 177.25 3pcj s ALA 123 N -1.30 2.44 0.22 3.03 0.00 -1.26 -4.07 121.76 120.81 3pcj s ALA 123 Ca 0.26 0.92 -0.32 0.00 0.00 0.00 0.00 51.96 52.83 3pcj s ALA 123 Cb -0.12 -3.44 -0.14 0.00 0.00 0.00 0.00 23.12 19.42 3pcj s ALA 123 CO 0.19 -1.33 1.28 -2.30 0.00 0.00 0.00 175.76 173.59 3pcj n PRO 124 N -1.94 1.65 -3.56 0.00 -0.02 -1.26 -4.87 135.00 125.00 3pcj n PRO 124 Ca 0.13 0.59 -0.14 0.00 -2.02 0.00 0.00 63.50 62.06 3pcj n PRO 124 Cb 0.50 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.77 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 -0.20 -0.43 -0.13 6.00 -3.43 -1.26 -4.38 115.29 111.46 3pcj s HIS 125 Ca 0.69 0.45 0.00 0.00 -0.80 0.00 0.00 55.06 55.40 3pcj s HIS 125 Cb -0.73 0.36 -0.01 0.00 -1.43 0.00 0.00 32.58 30.77 3pcj s HIS 125 CO 0.52 -0.67 -0.14 0.42 -2.00 0.00 0.00 174.74 172.87 3pcj s ILE 126 N -2.62 2.99 0.01 -5.38 1.01 -0.53 -4.55 121.20 112.13 3pcj s ILE 126 Ca -0.04 -0.68 -0.19 0.00 0.00 0.00 0.00 60.65 59.73 3pcj s ILE 126 Cb -0.00 -2.25 -0.06 0.00 0.01 0.00 0.00 42.46 40.15 3pcj s ILE 126 CO -0.03 0.52 0.56 0.20 0.00 0.00 0.00 174.94 176.20 3pcj s ASN 127 N 0.37 6.97 -0.02 3.58 0.01 0.11 -0.45 114.94 125.51 3pcj s ASN 127 Ca -0.11 1.15 0.03 0.00 -0.71 0.00 0.00 52.86 53.22 3pcj s ASN 127 Cb -0.16 -2.35 -0.00 0.00 0.41 0.00 0.00 41.25 39.15 3pcj s ASN 127 CO 0.06 0.17 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.09 3pcj s ILE 128 N -0.48 0.78 -0.14 0.60 1.01 -0.43 -0.79 121.20 121.75 3pcj s ILE 128 Ca 0.29 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.56 3pcj s ILE 128 Cb -0.18 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 3pcj s ILE 128 CO 0.17 0.23 -0.16 -0.44 0.00 0.00 0.00 174.94 174.74 3pcj s SER 129 N -0.03 3.71 -0.13 3.58 0.01 -0.38 -1.27 113.70 119.19 3pcj s SER 129 Ca 0.01 -0.43 -0.00 0.00 1.31 0.00 0.00 55.95 56.83 3pcj s SER 129 Cb -0.06 -1.56 -0.02 0.00 0.21 0.00 0.00 66.02 64.59 3pcj s SER 129 CO 0.00 0.13 -0.11 -0.22 0.41 0.00 0.00 173.24 173.44 3pcj s LEU 130 N 0.57 2.82 0.06 2.44 2.96 0.84 -1.50 118.68 126.87 3pcj s LEU 130 Ca -0.09 -0.27 0.06 0.00 -0.22 0.00 0.00 54.13 53.60 3pcj s LEU 130 Cb -0.16 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 3pcj s LEU 130 CO 0.04 0.18 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.72 3pcj s PHE 131 N 0.24 1.49 -0.10 5.38 0.40 0.11 -1.59 117.98 123.91 3pcj s PHE 131 Ca -0.08 -0.38 -0.33 0.00 -0.60 0.00 0.00 56.93 55.54 3pcj s PHE 131 Cb -0.15 -0.86 0.14 0.00 0.51 0.00 0.00 43.02 42.66 3pcj s PHE 131 CO 0.05 0.08 1.44 0.00 0.70 0.00 0.00 175.22 177.49 3pcj s ALA 132 N -0.94 -2.55 0.19 5.36 0.00 -1.26 0.14 121.76 122.69 3pcj s ALA 132 Ca 0.04 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 3pcj s ALA 132 Cb -0.09 0.31 -0.09 0.00 0.00 0.00 0.00 23.12 23.25 3pcj s ALA 132 CO 0.02 -1.07 1.34 -0.98 0.00 0.00 0.00 175.76 175.07 3pcj s ARG 133 N -2.02 4.36 0.00 0.00 1.70 -1.25 -1.90 118.95 119.84 3pcj s ARG 133 Ca 0.17 2.09 0.00 0.00 -0.47 0.00 0.00 55.73 57.52 3pcj s ARG 133 Cb 0.07 -3.20 0.00 0.00 -0.57 0.00 0.00 34.95 31.25 3pcj s ARG 133 CO -0.06 -0.31 0.00 0.41 -1.08 0.00 0.00 175.30 174.25 3pcj n GLY 134 N 2.59 0.32 3.32 3.88 0.00 -1.26 -4.99 105.19 109.05 3pcj n GLY 134 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.10 4.28 0.11 -0.61 1.01 -0.80 -4.96 121.20 118.13 3pcj s ILE 135 Ca 0.00 -1.09 -0.14 0.00 0.00 0.00 0.00 60.65 59.41 3pcj s ILE 135 Cb 0.00 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 3pcj s ILE 135 CO 0.00 -0.31 1.49 0.78 0.00 0.00 0.00 174.94 176.90 3pcj h ASN 136 N 8.38 0.75 -3.56 3.58 2.35 -1.89 -3.33 115.58 121.85 3pcj h ASN 136 Ca -0.24 -0.40 -0.39 0.00 -0.55 0.00 0.00 56.30 54.72 3pcj h ASN 136 Cb 1.09 -0.21 -0.33 0.00 0.05 0.00 0.00 38.32 38.93 3pcj h ASN 136 CO 0.68 0.99 -0.77 -0.51 -1.65 0.00 0.00 177.43 176.17 3pcj s ILE 137 N -4.63 0.48 0.53 2.81 2.07 -1.26 -3.06 121.20 118.13 3pcj s ILE 137 Ca -0.12 -0.12 -0.20 0.00 -1.41 0.00 0.00 60.65 58.79 3pcj s ILE 137 Cb 0.09 -0.49 -0.08 0.00 0.13 0.00 0.00 42.46 42.11 3pcj s ILE 137 CO 0.82 0.20 0.83 0.00 -1.91 0.00 0.00 174.94 174.88 3pcj n HIS 138 N 3.83 0.44 -3.76 3.50 1.44 -1.26 -4.98 115.22 114.43 3pcj n HIS 138 Ca -0.24 0.48 -0.37 0.00 -2.01 0.00 0.00 57.72 55.59 3pcj n HIS 138 Cb 0.52 -2.11 -0.06 0.00 0.12 0.00 0.00 29.99 28.46 3pcj n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3pcj s LEU 139 N -0.62 4.40 -0.13 2.39 1.43 -0.62 -4.87 118.68 120.66 3pcj s LEU 139 Ca 0.69 0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 54.34 3pcj s LEU 139 Cb -0.48 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 3pcj s LEU 139 CO 0.52 0.36 0.01 -1.00 0.23 0.00 0.00 176.35 176.48 3pcj s HIS 140 N -0.91 3.16 0.32 0.29 3.76 -1.26 -0.11 115.29 120.53 3pcj s HIS 140 Ca 0.17 0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 55.11 3pcj s HIS 140 Cb -0.13 -1.92 -0.01 0.00 1.11 0.00 0.00 32.58 31.63 3pcj s HIS 140 CO 0.06 0.25 0.40 -0.08 -0.85 0.00 0.00 174.74 174.52 3pcj s THR 141 N -0.21 0.00 0.03 1.30 -1.32 -0.39 0.10 115.64 115.15 3pcj s THR 141 Ca 0.06 -1.72 0.03 0.00 -1.21 0.00 0.00 61.69 58.85 3pcj s THR 141 Cb -0.12 -2.57 -0.02 0.00 -1.51 0.00 0.00 72.50 68.28 3pcj s THR 141 CO 0.02 0.00 -0.10 -0.13 -2.21 0.00 0.00 174.62 172.20 3pcj s ARG 142 N -3.30 0.71 -0.24 7.08 0.52 -1.26 -1.31 118.95 121.14 3pcj s ARG 142 Ca 0.33 -0.64 -0.05 0.00 -0.52 0.00 0.00 55.73 54.85 3pcj s ARG 142 Cb 0.01 -0.64 -0.00 0.00 0.52 0.00 0.00 34.95 34.84 3pcj s ARG 142 CO 0.21 0.15 -0.01 -1.17 0.02 0.00 0.00 175.30 174.50 3pcj s LEU 143 N -1.07 3.20 0.35 2.53 0.20 0.40 -4.76 118.68 119.53 3pcj s LEU 143 Ca -0.02 -0.50 0.08 0.00 0.69 0.00 0.00 54.13 54.38 3pcj s LEU 143 Cb -0.07 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.87 3pcj s LEU 143 CO 0.01 -0.07 0.21 -0.31 -0.29 0.00 0.00 176.35 175.89 3pcj s TYR 144 N 1.48 2.75 -0.10 5.38 1.51 0.29 -1.46 117.35 127.21 3pcj s TYR 144 Ca 0.04 -0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 3pcj s TYR 144 Cb -0.15 -1.75 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 3pcj s TYR 144 CO -0.01 0.24 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.54 3pcj s PHE 145 N -2.41 2.95 0.24 2.71 0.40 -1.26 0.78 117.98 121.39 3pcj s PHE 145 Ca 0.40 -0.15 0.36 0.00 -0.60 0.00 0.00 56.93 56.93 3pcj s PHE 145 Cb -0.03 -1.80 1.77 0.00 0.51 0.00 0.00 43.02 43.47 3pcj s PHE 145 CO 0.24 0.16 2.07 0.38 0.70 0.00 0.00 175.22 178.77 3pcj h ASP 146 N 5.87 0.00 -0.28 1.36 2.03 -1.51 -2.07 116.42 121.82 3pcj h ASP 146 Ca -0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 3pcj h ASP 146 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 3pcj h ASP 146 CO 0.56 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.87 3pcj n ASP 147 N -2.85 1.61 -1.72 4.15 5.68 -1.26 -3.74 116.55 118.43 3pcj n ASP 147 Ca -0.01 -1.94 -0.18 0.00 -0.50 0.00 0.00 54.79 52.16 3pcj n ASP 147 Cb 0.15 -0.19 0.06 0.00 -1.14 0.00 0.00 41.12 40.00 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 0.36 3.18 -0.22 0.11 -0.58 -0.78 -4.87 120.64 117.84 3pcj n GLU 148 Ca 0.11 -3.98 0.01 0.00 -0.42 0.00 0.00 57.16 52.88 3pcj n GLU 148 Cb 0.27 -2.14 0.09 0.00 -0.57 0.00 0.00 31.44 29.09 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 1.92 0.52 -0.27 0.62 0.00 -1.75 0.13 119.26 120.43 3pcj h ALA 149 Ca 0.29 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.44 3pcj h ALA 149 Cb 1.42 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 3pcj h ALA 149 CO 0.60 -0.42 0.15 1.96 0.00 0.00 0.00 179.25 181.54 3pcj h GLN 150 N 0.04 0.30 -0.53 0.00 4.20 -1.94 -1.52 115.11 115.67 3pcj h GLN 150 Ca 0.32 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.89 3pcj h GLN 150 Cb 0.52 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 3pcj h GLN 150 CO -0.62 0.20 -0.15 0.00 -0.67 0.00 0.00 178.83 177.60 3pcj h ALA 151 N 1.12 0.73 -0.79 3.87 0.00 -1.82 -3.05 119.26 119.33 3pcj h ALA 151 Ca 0.11 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3pcj h ALA 151 Cb 0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3pcj h ALA 151 CO -0.06 0.67 0.52 -0.91 0.00 0.00 0.00 179.25 179.48 3pcj h ASN 152 N 0.91 0.84 0.74 0.00 2.35 -0.54 -1.91 115.58 117.97 3pcj h ASN 152 Ca 0.13 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 3pcj h ASN 152 Cb 0.72 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 3pcj h ASN 152 CO 0.06 0.58 -0.19 0.00 -1.65 0.00 0.00 177.43 176.23 3pcj h ALA 153 N 1.54 1.09 -0.02 -0.83 0.00 -1.17 -3.01 119.26 116.87 3pcj h ALA 153 Ca 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3pcj h ALA 153 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3pcj h ALA 153 CO -0.09 0.24 -0.36 1.63 0.00 0.00 0.00 179.25 180.67 3pcj n LYS 154 N -3.46 1.47 -1.68 0.00 5.02 -0.78 -4.94 118.16 113.80 3pcj n LYS 154 Ca -0.00 -1.09 -0.46 0.00 -2.02 0.00 0.00 58.31 54.73 3pcj n LYS 154 Cb 0.37 -1.42 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 3pcj n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3pcj h PRO 156 N 7.79 0.00 0.00 0.00 0.13 -1.92 -1.72 132.00 136.29 3pcj h PRO 156 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3pcj h PRO 156 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3pcj h PRO 156 CO 0.92 0.24 -0.00 0.28 -0.23 0.00 0.00 178.00 179.21 3pcj h VAL 157 N 0.00 1.59 -0.97 1.56 2.07 -1.94 -3.23 116.25 115.34 3pcj h VAL 157 Ca -0.00 -2.12 0.09 0.00 0.82 0.00 0.00 66.70 65.49 3pcj h VAL 157 Cb 0.50 2.96 -0.07 0.00 -1.52 0.00 0.00 31.29 33.16 3pcj h VAL 157 CO 0.03 0.53 0.61 0.25 0.02 0.00 0.00 177.57 179.01 3pcj h LEU 158 N -0.97 0.93 -0.76 2.57 5.85 -1.87 -1.03 115.31 120.03 3pcj h LEU 158 Ca -0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3pcj h LEU 158 Cb 0.87 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3pcj h LEU 158 CO 0.00 0.55 0.00 0.59 -0.34 0.00 0.00 178.44 179.24 3pcj n ASN 159 N -4.59 0.46 0.15 1.25 3.02 -0.65 -1.50 115.26 113.39 3pcj n ASN 159 Ca 0.16 0.65 0.12 0.00 -0.03 0.00 0.00 54.58 55.49 3pcj n ASN 159 Cb 0.26 -0.74 0.27 0.00 -0.61 0.00 0.00 39.78 38.97 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 -8.64 3.41 3.38 -1.19 -3.41 115.31 108.86 3pcj h LEU 160 Ca 0.00 -0.01 -0.58 0.00 0.09 0.00 0.00 57.88 57.38 3pcj h LEU 160 Cb 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 3pcj h LEU 160 CO 0.00 0.01 0.80 -0.63 0.09 0.00 0.00 178.44 178.71 3pcj s ILE 161 N -3.16 4.25 0.18 1.22 1.01 -0.56 -4.93 121.20 119.21 3pcj s ILE 161 Ca 0.08 0.88 -0.21 0.00 0.00 0.00 0.00 60.65 61.40 3pcj s ILE 161 Cb 0.09 -4.59 0.10 0.00 0.01 0.00 0.00 42.46 38.08 3pcj s ILE 161 CO 0.64 -1.07 1.59 -0.33 0.00 0.00 0.00 174.94 175.77 3pcj h GLU 162 N 9.29 -0.18 -5.16 2.79 5.08 -1.86 -3.39 114.58 121.15 3pcj h GLU 162 Ca -0.24 0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 57.48 3pcj h GLU 162 Cb 1.06 0.04 -0.16 0.00 0.50 0.00 0.00 28.75 30.20 3pcj h GLU 162 CO 1.11 -0.12 -0.11 -0.65 -1.00 0.00 0.00 179.01 178.24 3pcj s GLN 163 N -5.99 3.60 0.49 2.33 -1.52 -1.26 -4.97 119.66 112.34 3pcj s GLN 163 Ca -0.14 -0.23 0.30 0.00 -1.95 0.00 0.00 55.36 53.33 3pcj s GLN 163 Cb 0.15 -3.81 1.38 0.00 -0.22 0.00 0.00 33.01 30.52 3pcj s GLN 163 CO 0.69 -0.61 1.79 -1.00 -0.25 0.00 0.00 175.29 175.91 3pcj h PRO 164 N 8.46 0.14 0.00 2.91 0.13 -1.98 0.30 132.00 141.96 3pcj h PRO 164 Ca -0.28 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 3pcj h PRO 164 Cb 1.13 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3pcj h PRO 164 CO 0.75 0.09 -0.35 1.96 -0.23 0.00 0.00 178.00 180.23 3pcj h GLN 165 N 0.14 0.00 -0.02 0.86 7.50 -1.95 -2.81 115.11 118.84 3pcj h GLN 165 Ca 0.57 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 59.57 3pcj h GLN 165 Cb 1.97 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 29.48 3pcj h GLN 165 CO -0.12 0.35 -0.68 0.00 -1.50 0.00 0.00 178.83 176.87 3pcj h ARG 166 N 0.00 0.10 -0.53 1.46 3.08 -0.78 -3.15 114.38 114.56 3pcj h ARG 166 Ca -0.00 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3pcj h ARG 166 Cb 0.62 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3pcj h ARG 166 CO 0.04 0.74 0.20 0.00 -1.07 0.00 0.00 179.97 179.89 3pcj h ARG 167 N 0.07 0.76 -0.02 0.04 3.08 -1.45 -2.47 114.38 114.39 3pcj h ARG 167 Ca -0.01 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 59.93 3pcj h ARG 167 Cb 1.21 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 3pcj h ARG 167 CO 0.10 0.63 0.04 0.93 -1.07 0.00 0.00 179.97 180.60 3pcj h GLU 168 N 0.75 0.00 0.00 0.04 5.08 -1.55 -1.57 114.58 117.33 3pcj h GLU 168 Ca 0.18 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3pcj h GLU 168 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3pcj h GLU 168 CO -0.02 0.00 -0.03 1.79 -1.00 0.00 0.00 179.01 179.75 3pcj h THR 169 N 0.00 0.09 -0.01 1.13 1.35 -1.59 -2.95 112.91 110.93 3pcj h THR 169 Ca 0.01 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3pcj h THR 169 Cb 0.09 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3pcj h THR 169 CO -0.00 0.03 -0.07 0.18 -0.25 0.00 0.00 175.52 175.41 3pcj n LEU 170 N -3.16 1.56 -4.53 3.87 4.77 -0.59 -4.83 117.00 114.09 3pcj n LEU 170 Ca -0.00 -0.51 -0.41 0.00 -0.03 0.00 0.00 56.01 55.06 3pcj n LEU 170 Cb 0.28 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.25 3pcj n LEU 170 CO 0.27 0.27 0.04 -0.63 -1.33 0.00 0.00 177.39 176.01 3pcj s ILE 171 N -2.12 5.16 0.24 -0.08 1.01 -1.12 -0.54 121.20 123.75 3pcj s ILE 171 Ca 0.33 -0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.67 3pcj s ILE 171 Cb 0.20 -3.85 -0.09 0.00 0.01 0.00 0.00 42.46 38.73 3pcj s ILE 171 CO 0.38 -0.14 1.06 0.00 0.00 0.00 0.00 174.94 176.24 3pcj s ALA 172 N 2.03 3.38 -0.29 9.38 0.00 0.23 -4.82 121.76 131.67 3pcj s ALA 172 Ca 0.12 0.81 -0.18 0.00 0.00 0.00 0.00 51.96 52.71 3pcj s ALA 172 Cb -0.17 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3pcj s ALA 172 CO 0.12 -0.10 0.51 0.15 0.00 0.00 0.00 175.76 176.44 3pcj s LYS 173 N -1.07 3.93 0.32 0.00 1.02 -0.64 -1.29 119.74 122.02 3pcj s LYS 173 Ca 0.45 0.16 -0.29 0.00 0.02 0.00 0.00 55.97 56.31 3pcj s LYS 173 Cb -0.30 -3.70 -0.10 0.00 -0.52 0.00 0.00 37.83 33.21 3pcj s LYS 173 CO 0.37 -0.44 1.33 0.50 -0.92 0.00 0.00 175.35 176.19 3pcj s ARG 174 N 2.33 4.34 0.00 1.68 3.52 -1.26 -0.97 118.95 128.59 3pcj s ARG 174 Ca 0.20 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 58.04 3pcj s ARG 174 Cb -0.16 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 3pcj s ARG 174 CO 0.11 -0.23 0.00 0.00 -0.81 0.00 0.00 175.30 174.37 3pcj s GLU 176 N -0.60 0.13 -0.17 0.00 2.12 -1.26 -1.56 118.70 117.36 3pcj s GLU 176 Ca 0.00 0.28 0.01 0.00 0.36 0.00 0.00 54.97 55.62 3pcj s GLU 176 Cb 0.00 -0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.36 3pcj s GLU 176 CO 0.00 -0.09 -0.19 0.08 -0.54 0.00 0.00 175.26 174.53 3pcj s VAL 177 N 0.59 2.24 -1.28 3.70 1.01 0.15 -4.68 120.40 122.14 3pcj s VAL 177 Ca -0.04 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 60.84 3pcj s VAL 177 Cb -0.06 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.40 3pcj s VAL 177 CO -0.03 0.53 0.56 0.47 0.00 0.00 0.00 175.10 176.63 3pcj n ASP 178 N 4.45 -3.00 -3.36 3.32 9.92 -1.26 -0.28 116.55 126.34 3pcj n ASP 178 Ca -0.20 -1.18 -0.23 0.00 -0.53 0.00 0.00 54.79 52.65 3pcj n ASP 178 Cb 0.51 -2.32 -0.01 0.00 -0.64 0.00 0.00 41.12 38.66 3pcj n ASP 178 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3pcj n GLY 179 N -2.05 -0.48 3.12 0.44 0.00 -1.26 -4.96 105.19 99.99 3pcj n GLY 179 Ca -0.17 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 -6.00 1.06 0.12 1.61 2.47 0.62 -5.09 119.74 114.54 3pcj s LYS 180 Ca 0.39 -0.58 -0.32 0.00 -1.56 0.00 0.00 55.97 53.90 3pcj s LYS 180 Cb -0.21 -1.05 -0.11 0.00 -1.46 0.00 0.00 37.83 35.00 3pcj s LYS 180 CO 0.48 0.28 1.80 2.41 0.16 0.00 0.00 175.35 180.47 3pcj n THR 181 N 2.47 0.29 -3.99 3.43 -1.04 -1.26 0.34 114.28 114.52 3pcj n THR 181 Ca -0.15 -0.05 -0.08 0.00 -2.04 0.00 0.00 64.05 61.73 3pcj n THR 181 Cb 0.55 -2.02 -0.09 0.00 -1.82 0.00 0.00 70.33 66.95 3pcj n THR 181 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3pcj s ALA 182 N 2.41 0.19 -0.02 2.41 0.00 -0.60 -1.63 121.76 124.51 3pcj s ALA 182 Ca 0.81 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.84 3pcj s ALA 182 Cb -0.52 0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.97 3pcj s ALA 182 CO 0.38 -0.42 -0.01 0.71 0.00 0.00 0.00 175.76 176.41 3pcj s TYR 183 N -3.84 0.34 -0.23 0.00 1.51 -0.55 0.26 117.35 114.85 3pcj s TYR 183 Ca 0.06 -0.03 -0.10 0.00 -1.01 0.00 0.00 57.07 55.99 3pcj s TYR 183 Cb 0.06 -0.38 -0.05 0.00 -0.11 0.00 0.00 41.96 41.49 3pcj s TYR 183 CO -0.10 -0.11 0.13 0.50 -1.11 0.00 0.00 175.55 174.86 3pcj s ARG 184 N 0.77 4.02 -0.33 -0.62 3.52 -0.14 -2.25 118.95 123.92 3pcj s ARG 184 Ca -0.08 -0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.23 3pcj s ARG 184 Cb -0.11 -3.44 0.10 0.00 -1.56 0.00 0.00 34.95 29.94 3pcj s ARG 184 CO -0.01 0.10 0.10 0.12 -0.81 0.00 0.00 175.30 174.80 3pcj s PHE 185 N 0.90 2.17 0.05 5.12 5.36 -0.40 -1.62 117.98 129.56 3pcj s PHE 185 Ca 0.06 -2.08 -0.11 0.00 -0.96 0.00 0.00 56.93 53.84 3pcj s PHE 185 Cb -0.13 -1.99 -0.06 0.00 -0.34 0.00 0.00 43.02 40.50 3pcj s PHE 185 CO 0.03 -0.88 0.39 -0.51 -1.46 0.00 0.00 175.22 172.79 3pcj s ASP 186 N 1.33 6.68 -0.17 6.13 1.01 -1.26 -4.15 116.67 126.24 3pcj s ASP 186 Ca 0.11 0.83 -0.01 0.00 0.71 0.00 0.00 52.55 54.18 3pcj s ASP 186 Cb -0.18 -2.19 -0.01 0.00 1.01 0.00 0.00 42.92 41.54 3pcj s ASP 186 CO -0.19 0.23 -0.10 -0.63 0.21 0.00 0.00 175.17 174.69 3pcj s ILE 187 N -1.29 3.12 -0.31 0.77 1.01 -0.36 -4.97 121.20 119.18 3pcj s ILE 187 Ca 0.29 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 3pcj s ILE 187 Cb -0.15 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 39.99 3pcj s ILE 187 CO 0.16 0.49 0.09 -0.13 0.00 0.00 0.00 174.94 175.55 3pcj s ARG 188 N 0.81 2.96 0.16 2.79 0.52 -1.26 -0.72 118.95 124.21 3pcj s ARG 188 Ca -0.04 -0.95 -0.04 0.00 -0.52 0.00 0.00 55.73 54.18 3pcj s ARG 188 Cb -0.15 -3.41 0.02 0.00 0.52 0.00 0.00 34.95 31.94 3pcj s ARG 188 CO 0.01 -0.51 1.42 0.82 0.02 0.00 0.00 175.30 177.06 3pcj h ILE 189 N 5.95 1.34 -2.94 1.52 2.04 -1.15 -0.05 117.51 124.23 3pcj h ILE 189 Ca -0.29 -2.02 -0.12 0.00 1.00 0.00 0.00 64.86 63.43 3pcj h ILE 189 Cb 1.11 2.00 -0.21 0.00 -0.74 0.00 0.00 36.82 38.99 3pcj h ILE 189 CO 0.61 0.62 -0.25 -1.58 0.00 0.00 0.00 178.15 177.55 3pcj s GLN 190 N -3.74 0.65 0.00 2.37 0.74 -1.26 -4.75 119.66 113.67 3pcj s GLN 190 Ca -0.07 -0.04 0.00 0.00 0.05 0.00 0.00 55.36 55.29 3pcj s GLN 190 Cb 0.10 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.51 3pcj s GLN 190 CO 0.85 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.84 3pcj n GLY 191 N 1.53 0.23 3.68 2.59 0.00 -1.26 -3.91 105.19 108.06 3pcj n GLY 191 Ca -0.20 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 3pcj n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcj s GLU 192 N 0.00 4.20 -0.99 1.61 2.12 -1.26 -1.90 118.70 122.47 3pcj s GLU 192 Ca 0.00 2.31 0.00 0.00 0.36 0.00 0.00 54.97 57.64 3pcj s GLU 192 Cb 0.00 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.72 3pcj s GLU 192 CO 0.00 -0.75 0.00 0.41 -0.54 0.00 0.00 175.26 174.38 3pcj n GLY 193 N 4.02 0.30 3.69 -1.50 0.00 -1.26 -4.94 105.19 105.50 3pcj n GLY 193 Ca 0.16 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.23 2.35 -2.09 1.61 2.13 -0.80 -4.60 120.64 117.00 3pcj n GLU 194 Ca -0.12 0.84 -0.40 0.00 0.66 0.00 0.00 57.16 58.14 3pcj n GLU 194 Cb 0.53 -2.61 -0.02 0.00 0.27 0.00 0.00 31.44 29.61 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 0.70 2.68 0.32 6.31 2.01 -0.03 -4.96 115.64 122.68 3pcj s THR 195 Ca 0.74 0.66 -0.29 0.00 0.31 0.00 0.00 61.69 63.12 3pcj s THR 195 Cb -0.61 -3.41 -0.10 0.00 0.01 0.00 0.00 72.50 68.39 3pcj s THR 195 CO 0.40 0.14 1.22 -0.69 -0.69 0.00 0.00 174.62 174.99 3pcj s VAL 196 N -1.18 3.04 0.02 3.82 1.01 -1.26 -4.96 120.40 120.88 3pcj s VAL 196 Ca 0.52 1.03 0.04 0.00 0.00 0.00 0.00 61.98 63.56 3pcj s VAL 196 Cb -0.39 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 3pcj s VAL 196 CO 0.52 0.23 -0.12 -0.36 0.00 0.00 0.00 175.10 175.37 3pcj s PHE 197 N -1.18 1.05 0.33 5.22 0.08 -1.26 -4.69 117.98 117.53 3pcj s PHE 197 Ca 0.48 -0.29 0.08 0.00 0.12 0.00 0.00 56.93 57.32 3pcj s PHE 197 Cb -0.36 -0.64 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 3pcj s PHE 197 CO 0.47 0.00 0.19 -0.06 -0.10 0.00 0.00 175.22 175.72 3pcj s PHE 198 N -0.64 2.80 -0.07 0.36 0.08 0.12 -4.97 117.98 115.66 3pcj s PHE 198 Ca 0.02 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.76 3pcj s PHE 198 Cb -0.06 -1.65 0.01 0.00 -0.57 0.00 0.00 43.02 40.75 3pcj s PHE 198 CO 0.00 0.31 -0.12 0.34 -0.10 0.00 0.00 175.22 175.65 3pcj s ASP 199 N -3.89 1.84 0.00 1.36 2.15 -1.26 -4.18 116.67 112.70 3pcj s ASP 199 Ca 0.38 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.05 3pcj s ASP 199 Cb -0.04 -0.85 0.00 0.00 -0.30 0.00 0.00 42.92 41.73 3pcj s ASP 199 CO 0.24 0.03 0.00 2.22 -0.17 0.00 0.00 175.17 177.49