#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pck s ILE 2 N 0.00 4.78 -0.06 4.25 -1.09 -1.26 -5.06 121.20 122.76 3pck s ILE 2 Ca 0.00 1.82 0.05 0.00 -2.23 0.00 0.00 60.65 60.29 3pck s ILE 2 Cb 0.00 -4.21 -0.01 0.00 -1.58 0.00 0.00 42.46 36.67 3pck s ILE 2 CO 0.00 0.27 -0.23 -1.61 -1.23 0.00 0.00 174.94 172.15 3pck s GLU 3 N 0.42 2.47 0.34 2.79 0.41 -1.26 -5.15 118.70 118.72 3pck s GLU 3 Ca 0.44 -0.81 0.01 0.00 -0.41 0.00 0.00 54.97 54.19 3pck s GLU 3 Cb -0.21 -2.03 0.07 0.00 -1.78 0.00 0.00 34.13 30.18 3pck s GLU 3 CO 0.25 0.29 0.46 1.28 -0.49 0.00 0.00 175.26 177.05 3pck n LEU 4 N 3.16 0.00 -4.78 1.80 4.32 -1.26 -5.05 117.00 115.20 3pck n LEU 4 Ca -0.18 -1.03 -0.36 0.00 -0.02 0.00 0.00 56.01 54.42 3pck n LEU 4 Cb 0.52 -0.29 -0.01 0.00 -1.62 0.00 0.00 43.42 42.02 3pck n LEU 4 CO 0.26 -0.72 0.80 -0.76 -1.22 0.00 0.00 177.39 175.75 3pck s LEU 5 N 0.00 3.95 0.29 2.23 1.43 -1.26 -4.97 118.68 120.35 3pck s LEU 5 Ca 0.31 2.21 -0.28 0.00 -1.03 0.00 0.00 54.13 55.34 3pck s LEU 5 Cb -0.02 -4.34 -0.09 0.00 0.03 0.00 0.00 46.19 41.77 3pck s LEU 5 CO 0.21 -0.92 0.98 -2.16 0.23 0.00 0.00 176.35 174.68 3pck s PRO 6 N -2.86 4.66 0.39 1.29 0.04 -1.26 -5.02 135.00 132.26 3pck s PRO 6 Ca 0.65 1.49 -0.26 0.00 0.04 0.00 0.00 61.00 62.92 3pck s PRO 6 Cb -0.26 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.16 3pck s PRO 6 CO 0.31 0.32 1.26 -2.00 0.04 0.00 0.00 177.00 176.93 3pck s GLU 7 N -1.64 4.04 0.25 4.56 2.12 -1.26 -4.94 118.70 121.82 3pck s GLU 7 Ca 0.46 2.06 -0.31 0.00 0.36 0.00 0.00 54.97 57.54 3pck s GLU 7 Cb -0.24 -2.77 -0.11 0.00 0.26 0.00 0.00 34.13 31.27 3pck s GLU 7 CO 0.30 -0.40 1.57 0.99 -0.54 0.00 0.00 175.26 177.18 3pck s THR 8 N -1.29 2.29 0.43 -1.70 2.01 -1.26 -4.93 115.64 111.19 3pck s THR 8 Ca 0.56 0.23 -0.24 0.00 0.31 0.00 0.00 61.69 62.55 3pck s THR 8 Cb -0.36 -3.15 -0.08 0.00 0.01 0.00 0.00 72.50 68.93 3pck s THR 8 CO 0.46 0.03 1.21 -2.84 -0.69 0.00 0.00 174.62 172.79 3pck s PRO 9 N 0.02 3.87 0.67 4.92 0.02 -1.26 -5.03 135.00 138.21 3pck s PRO 9 Ca 0.65 1.92 -0.11 0.00 0.02 0.00 0.00 61.00 63.48 3pck s PRO 9 Cb -0.46 -2.58 -0.01 0.00 0.02 0.00 0.00 34.50 31.47 3pck s PRO 9 CO 0.42 -0.50 1.05 0.45 -0.33 0.00 0.00 177.00 178.09 3pck s SER 10 N -1.10 5.69 -0.03 2.53 0.15 -1.26 -5.09 113.70 114.58 3pck s SER 10 Ca 0.60 1.48 -0.13 0.00 0.70 0.00 0.00 55.95 58.60 3pck s SER 10 Cb -0.32 -2.41 0.02 0.00 -1.71 0.00 0.00 66.02 61.60 3pck s SER 10 CO 0.40 -1.23 0.28 -1.10 1.20 0.00 0.00 173.24 172.79 3pck s GLN 11 N -5.13 0.57 0.70 5.44 -1.52 -1.16 -4.92 119.66 113.64 3pck s GLN 11 Ca 0.57 -0.10 -0.16 0.00 -1.95 0.00 0.00 55.36 53.71 3pck s GLN 11 Cb -0.13 0.25 0.00 0.00 -0.22 0.00 0.00 33.01 32.92 3pck s GLN 11 CO 0.54 -0.14 1.04 -2.37 -0.25 0.00 0.00 175.29 174.11 3pck n THR 12 N 1.64 3.31 0.53 -0.19 5.66 -1.23 -4.83 114.28 119.17 3pck n THR 12 Ca -0.20 -0.40 0.13 0.00 -3.05 0.00 0.00 64.05 60.52 3pck n THR 12 Cb 0.56 -1.19 0.43 0.00 -1.55 0.00 0.00 70.33 68.59 3pck n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pck h ALA 13 N -0.05 1.00 -0.56 1.79 0.00 -1.75 -3.50 119.26 116.20 3pck h ALA 13 Ca -0.48 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.49 3pck h ALA 13 Cb 1.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3pck h ALA 13 CO 0.48 0.00 -0.12 0.41 0.00 0.00 0.00 179.25 180.02 3pck n GLY 14 N 0.89 -1.75 0.26 0.00 0.00 -1.26 -3.99 105.19 99.33 3pck n GLY 14 Ca 0.04 -1.45 0.15 0.00 0.00 0.00 0.00 46.02 44.76 3pck n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pck h PRO 15 N -0.23 0.00 -0.62 1.61 0.13 -1.93 -3.26 132.00 127.70 3pck h PRO 15 Ca -0.01 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 3pck h PRO 15 Cb 0.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.31 3pck h PRO 15 CO 0.01 0.03 0.09 0.66 -0.23 0.00 0.00 178.00 178.56 3pck n TYR 16 N -3.13 2.19 -0.24 1.56 4.01 -1.26 -4.64 117.16 115.65 3pck n TYR 16 Ca 0.01 -0.90 0.31 0.00 -0.16 0.00 0.00 57.90 57.16 3pck n TYR 16 Cb 0.38 -0.57 0.72 0.00 -0.31 0.00 0.00 39.34 39.55 3pck n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pck h VAL 17 N 3.48 0.50 -0.74 -0.72 3.04 -1.69 -0.66 116.25 119.45 3pck h VAL 17 Ca 0.09 -0.01 0.08 0.00 -1.01 0.00 0.00 66.70 65.85 3pck h VAL 17 Cb 2.10 0.47 -0.07 0.00 -2.01 0.00 0.00 31.29 31.78 3pck h VAL 17 CO 0.57 0.01 0.40 0.45 -1.01 0.00 0.00 177.57 177.99 3pck h HIS 18 N 0.03 0.73 -0.87 3.17 3.86 -1.84 -0.46 115.15 119.78 3pck h HIS 18 Ca 0.49 0.03 0.16 0.00 -1.16 0.00 0.00 60.37 59.89 3pck h HIS 18 Cb 1.89 -0.22 -0.07 0.00 1.06 0.00 0.00 27.41 30.08 3pck h HIS 18 CO -0.00 0.30 0.57 -0.84 0.86 0.00 0.00 177.93 178.82 3pck h ILE 19 N 0.70 0.77 0.09 2.45 3.07 -1.34 0.16 117.51 123.41 3pck h ILE 19 Ca 0.35 -0.19 -0.36 0.00 1.55 0.00 0.00 64.86 66.22 3pck h ILE 19 Cb 0.31 0.18 -0.03 0.00 -0.27 0.00 0.00 36.82 37.00 3pck h ILE 19 CO -0.23 0.10 -2.01 0.61 -1.05 0.00 0.00 178.15 175.56 3pck n GLY 20 N -1.47 -0.63 0.02 0.16 0.00 -0.72 -4.59 105.19 97.97 3pck n GLY 20 Ca 0.18 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.97 3pck n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pck n LEU 21 N -3.35 0.41 -2.97 0.99 4.77 -0.26 -4.81 117.00 111.77 3pck n LEU 21 Ca -0.31 -0.66 -0.14 0.00 -0.03 0.00 0.00 56.01 54.87 3pck n LEU 21 Cb 1.05 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.15 3pck n LEU 21 CO 0.41 0.10 0.01 0.00 -1.33 0.00 0.00 177.39 176.58 3pck n ALA 22 N -0.68 0.65 -0.31 -1.18 0.00 0.52 -4.98 120.51 114.52 3pck n ALA 22 Ca 0.01 -2.47 0.02 0.00 0.00 0.00 0.00 53.44 50.99 3pck n ALA 22 Cb 0.03 -1.05 0.08 0.00 0.00 0.00 0.00 19.45 18.52 3pck n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pck h LEU 23 N 3.28 -0.99 -0.06 0.00 4.07 -1.64 -1.20 115.31 118.76 3pck h LEU 23 Ca -0.01 0.27 0.04 0.00 0.08 0.00 0.00 57.88 58.26 3pck h LEU 23 Cb 1.01 0.59 -0.06 0.00 1.08 0.00 0.00 40.66 43.29 3pck h LEU 23 CO 0.34 -0.29 -0.36 1.05 -1.08 0.00 0.00 178.44 178.10 3pck h GLU 24 N -0.02 -0.46 -0.91 1.13 -0.00 -1.87 -1.73 114.58 110.71 3pck h GLU 24 Ca 0.38 0.03 0.15 0.00 -0.00 0.00 0.00 59.36 59.92 3pck h GLU 24 Cb 0.62 0.11 -0.09 0.00 -0.00 0.00 0.00 28.75 29.38 3pck h GLU 24 CO -0.89 -0.31 0.51 0.00 -0.00 0.00 0.00 179.01 178.32 3pck h ALA 25 N 0.21 1.40 0.00 1.06 0.00 -1.60 0.76 119.26 121.09 3pck h ALA 25 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3pck h ALA 25 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3pck h ALA 25 CO -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 178.91 3pck h ALA 26 N 1.57 1.00 -0.99 0.00 0.00 -0.41 -3.46 119.26 116.97 3pck h ALA 26 Ca 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 3pck h ALA 26 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3pck h ALA 26 CO -0.34 0.00 -0.03 0.41 0.00 0.00 0.00 179.25 179.29 3pck n GLY 27 N -0.67 0.78 3.37 0.00 0.00 0.26 -4.95 105.19 103.98 3pck n GLY 27 Ca -0.01 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 3pck n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pck s ASN 28 N -3.00 2.92 0.37 1.61 0.01 -0.87 -5.05 114.94 110.94 3pck s ASN 28 Ca 0.02 -0.92 -0.28 0.00 -0.71 0.00 0.00 52.86 50.97 3pck s ASN 28 Cb -0.01 -0.19 -0.11 0.00 0.41 0.00 0.00 41.25 41.35 3pck s ASN 28 CO 0.03 -0.02 1.46 -0.81 -1.51 0.00 0.00 177.10 176.24 3pck n PRO 29 N 0.03 2.59 -2.63 -0.60 -0.04 -1.26 -3.94 135.00 129.14 3pck n PRO 29 Ca -0.11 0.91 -0.22 0.00 -0.04 0.00 0.00 63.50 64.04 3pck n PRO 29 Cb 0.58 -2.61 0.05 0.00 -0.04 0.00 0.00 33.50 31.48 3pck n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3pck s THR 30 N -1.11 2.52 0.47 0.52 -4.23 -1.26 -4.88 115.64 107.67 3pck s THR 30 Ca 0.54 -0.66 0.09 0.00 -1.18 0.00 0.00 61.69 60.48 3pck s THR 30 Cb -0.49 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 70.52 3pck s THR 30 CO 0.64 0.00 0.64 -0.13 -0.54 0.00 0.00 174.62 175.22 3pck s ARG 31 N -4.85 2.64 0.18 3.99 0.52 -1.26 -5.02 118.95 115.15 3pck s ARG 31 Ca 0.60 -1.39 -0.16 0.00 -0.52 0.00 0.00 55.73 54.26 3pck s ARG 31 Cb -0.09 -2.71 0.14 0.00 0.52 0.00 0.00 34.95 32.81 3pck s ARG 31 CO 0.40 -0.47 1.66 -0.44 0.02 0.00 0.00 175.30 176.47 3pck h ASP 32 N 0.49 -0.39 -3.17 0.23 3.32 -2.07 -3.39 116.42 111.45 3pck h ASP 32 Ca -0.37 0.13 -0.65 0.00 0.02 0.00 0.00 57.03 56.17 3pck h ASP 32 Cb 1.28 0.27 -0.35 0.00 0.22 0.00 0.00 39.33 40.76 3pck h ASP 32 CO 0.44 -0.14 -0.86 -1.10 -1.72 0.00 0.00 179.24 175.87 3pck s GLN 33 N -6.21 2.77 0.02 3.56 -0.21 -1.26 -5.11 119.66 113.21 3pck s GLN 33 Ca -0.14 -0.76 0.06 0.00 0.02 0.00 0.00 55.36 54.54 3pck s GLN 33 Cb 0.16 -2.32 -0.02 0.00 1.00 0.00 0.00 33.01 31.83 3pck s GLN 33 CO 0.72 -0.09 -0.17 -1.21 -2.12 0.00 0.00 175.29 172.41 3pck s GLU 34 N 1.03 1.24 -0.49 2.91 0.41 -1.26 -5.11 118.70 117.43 3pck s GLU 34 Ca -0.03 -0.77 -0.21 0.00 -0.41 0.00 0.00 54.97 53.55 3pck s GLU 34 Cb -0.15 -1.28 0.04 0.00 -1.78 0.00 0.00 34.13 30.97 3pck s GLU 34 CO -0.05 0.33 0.69 0.42 -0.49 0.00 0.00 175.26 176.16 3pck s ILE 35 N -0.67 4.77 0.00 -1.63 1.01 -1.26 -5.02 121.20 118.40 3pck s ILE 35 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.54 3pck s ILE 35 Cb -0.08 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.08 3pck s ILE 35 CO 0.01 -0.80 0.00 1.87 0.00 0.00 0.00 174.94 176.02 3pck n TRP 36 N 6.44 0.00 -0.13 3.97 -0.00 -1.26 -4.51 117.44 121.96 3pck n TRP 36 Ca -0.03 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.49 3pck n TRP 36 Cb 0.47 0.00 0.23 0.00 -0.00 0.00 0.00 31.31 32.00 3pck n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pck n ASN 37 N 0.00 3.77 -3.93 5.87 6.94 -0.56 -1.44 115.26 125.91 3pck n ASN 37 Ca 0.00 -2.57 -0.30 0.00 -0.02 0.00 0.00 54.58 51.68 3pck n ASN 37 Cb 0.00 -0.62 -0.14 0.00 -2.36 0.00 0.00 39.78 36.66 3pck n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pck s ARG 38 N -2.03 1.68 0.15 -3.83 6.06 -1.26 -0.34 118.95 119.38 3pck s ARG 38 Ca 0.32 -2.24 -0.04 0.00 -2.50 0.00 0.00 55.73 51.27 3pck s ARG 38 Cb 0.25 -3.10 -0.01 0.00 0.06 0.00 0.00 34.95 32.15 3pck s ARG 38 CO 0.09 -1.06 1.39 -0.07 -2.50 0.00 0.00 175.30 173.15 3pck h LEU 39 N 6.95 0.59 -8.94 -0.88 4.07 -0.88 -3.45 115.31 112.76 3pck h LEU 39 Ca -0.06 -0.40 -0.69 0.00 0.08 0.00 0.00 57.88 56.81 3pck h LEU 39 Cb 0.94 -0.17 -0.23 0.00 1.08 0.00 0.00 40.66 42.28 3pck h LEU 39 CO 0.60 1.16 -0.77 0.00 -1.08 0.00 0.00 178.44 178.35 3pck s ALA 40 N -3.60 2.68 0.27 1.53 0.00 -1.17 -0.36 121.76 121.11 3pck s ALA 40 Ca -0.07 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.75 3pck s ALA 40 Cb 0.10 -0.95 -0.08 0.00 0.00 0.00 0.00 23.12 22.19 3pck s ALA 40 CO 0.86 0.56 0.65 0.15 0.00 0.00 0.00 175.76 177.98 3pck s LYS 41 N -0.88 3.95 0.40 0.00 1.02 0.53 -4.83 119.74 119.93 3pck s LYS 41 Ca 0.12 0.53 0.27 0.00 0.02 0.00 0.00 55.97 56.91 3pck s LYS 41 Cb -0.11 -2.59 1.39 0.00 -0.52 0.00 0.00 37.83 36.00 3pck s LYS 41 CO 0.02 0.26 1.51 -2.30 -0.92 0.00 0.00 175.35 173.92 3pck n PRO 42 N -0.10 -0.04 -0.41 -1.68 -0.01 -1.26 0.64 135.00 132.14 3pck n PRO 42 Ca 0.01 1.25 0.04 0.00 -0.01 0.00 0.00 63.50 64.79 3pck n PRO 42 Cb 0.53 -2.39 0.19 0.00 -0.01 0.00 0.00 33.50 31.82 3pck n PRO 42 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 175.50 175.09 3pck n ASP 43 N -4.85 3.16 -4.78 2.55 5.75 -1.26 -4.90 116.55 112.23 3pck n ASP 43 Ca 0.38 -2.40 -0.39 0.00 -0.01 0.00 0.00 54.79 52.37 3pck n ASP 43 Cb 1.41 -0.55 -0.06 0.00 -1.03 0.00 0.00 41.12 40.89 3pck n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pck s ALA 44 N -1.82 3.49 0.52 2.12 0.00 0.21 -5.04 121.76 121.23 3pck s ALA 44 Ca 0.26 0.18 -0.21 0.00 0.00 0.00 0.00 51.96 52.20 3pck s ALA 44 Cb 0.19 -2.82 -0.06 0.00 0.00 0.00 0.00 23.12 20.44 3pck s ALA 44 CO 0.09 0.26 1.19 -1.25 0.00 0.00 0.00 175.76 176.05 3pck s PRO 45 N -0.77 3.39 0.00 0.00 0.04 -1.26 -4.89 135.00 131.51 3pck s PRO 45 Ca 0.33 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.18 3pck s PRO 45 Cb -0.21 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.16 3pck s PRO 45 CO 0.22 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.81 3pck n GLY 46 N 0.43 1.10 3.59 0.56 0.00 -1.26 -4.53 105.19 105.07 3pck n GLY 46 Ca 0.10 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 3pck n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pck s GLU 47 N -1.25 3.73 0.15 1.61 2.12 -1.26 -4.93 118.70 118.87 3pck s GLU 47 Ca 0.00 0.37 -0.31 0.00 0.36 0.00 0.00 54.97 55.40 3pck s GLU 47 Cb 0.00 -3.83 -0.08 0.00 0.26 0.00 0.00 34.13 30.47 3pck s GLU 47 CO 0.00 -0.97 1.38 -1.01 -0.54 0.00 0.00 175.26 174.12 3pck s HIS 48 N 3.38 3.22 0.04 5.30 3.76 -1.26 -1.03 115.29 128.70 3pck s HIS 48 Ca 0.35 1.02 -0.01 0.00 -0.15 0.00 0.00 55.06 56.27 3pck s HIS 48 Cb -0.12 -3.68 -0.03 0.00 1.11 0.00 0.00 32.58 29.86 3pck s HIS 48 CO 0.20 -2.31 -0.03 0.96 -0.85 0.00 0.00 174.74 172.71 3pck s ILE 49 N 0.75 0.18 -0.18 0.60 -4.36 0.10 -4.65 121.20 113.64 3pck s ILE 49 Ca 0.62 -1.49 -0.04 0.00 -0.26 0.00 0.00 60.65 59.48 3pck s ILE 49 Cb -0.37 -1.09 -0.02 0.00 1.25 0.00 0.00 42.46 42.23 3pck s ILE 49 CO 0.33 -0.82 -0.03 -0.22 0.24 0.00 0.00 174.94 174.43 3pck s LEU 50 N -2.42 3.16 -0.07 0.37 2.96 -0.76 -1.93 118.68 119.98 3pck s LEU 50 Ca -0.01 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 3pck s LEU 50 Cb 0.02 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 3pck s LEU 50 CO -0.07 0.11 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.26 3pck s LEU 51 N 0.70 3.28 0.09 -0.68 1.43 0.13 -1.54 118.68 122.10 3pck s LEU 51 Ca -0.02 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.98 3pck s LEU 51 Cb -0.14 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.36 3pck s LEU 51 CO 0.02 0.37 0.29 -1.48 0.23 0.00 0.00 176.35 175.78 3pck s LEU 52 N -0.85 0.94 -0.04 1.79 -0.00 -0.81 -1.36 118.68 118.35 3pck s LEU 52 Ca 0.13 -0.42 -0.30 0.00 -0.00 0.00 0.00 54.13 53.53 3pck s LEU 52 Cb -0.11 1.39 0.12 0.00 -0.00 0.00 0.00 46.19 47.59 3pck s LEU 52 CO 0.02 -0.74 1.34 -0.83 -0.00 0.00 0.00 176.35 176.13 3pck s GLY 53 N -2.63 -0.33 0.12 -3.48 0.00 -1.01 -1.05 107.32 98.95 3pck s GLY 53 Ca 0.02 0.51 0.06 0.00 0.00 0.00 0.00 44.72 45.30 3pck s GLY 53 CO -0.09 2.53 -0.15 1.20 0.00 0.00 0.00 173.10 176.58 3pck s GLN 54 N -2.16 1.04 -0.06 2.90 -0.21 -1.26 -1.01 119.66 118.90 3pck s GLN 54 Ca 0.21 -1.23 0.05 0.00 0.02 0.00 0.00 55.36 54.40 3pck s GLN 54 Cb 0.03 -0.97 -0.01 0.00 1.00 0.00 0.00 33.01 33.07 3pck s GLN 54 CO -0.04 0.19 -0.22 0.08 -2.12 0.00 0.00 175.29 173.19 3pck s VAL 55 N -2.03 2.37 0.01 1.09 1.01 -1.26 -0.81 120.40 120.78 3pck s VAL 55 Ca 0.09 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.19 3pck s VAL 55 Cb -0.06 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3pck s VAL 55 CO 0.03 0.57 -0.22 -0.31 0.00 0.00 0.00 175.10 175.17 3pck s TYR 56 N -0.22 1.95 0.85 5.22 2.02 0.15 -0.89 117.35 126.43 3pck s TYR 56 Ca -0.01 -0.37 -0.09 0.00 -0.37 0.00 0.00 57.07 56.23 3pck s TYR 56 Cb -0.13 -1.22 0.17 0.00 -0.40 0.00 0.00 41.96 40.37 3pck s TYR 56 CO 0.03 0.02 1.17 0.16 -1.57 0.00 0.00 175.55 175.35 3pck s ASP 57 N -0.76 3.69 0.64 2.29 1.47 0.37 -1.35 116.67 123.03 3pck s ASP 57 Ca 0.08 -0.05 0.41 0.00 1.18 0.00 0.00 52.55 54.17 3pck s ASP 57 Cb -0.09 -0.14 2.20 0.00 -0.34 0.00 0.00 42.92 44.55 3pck s ASP 57 CO 0.00 -2.33 2.31 1.23 0.68 0.00 0.00 175.17 177.06 3pck h GLY 58 N -1.11 0.00 -1.64 2.12 0.00 -1.89 -0.96 103.07 99.58 3pck h GLY 58 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3pck h GLY 58 CO 0.39 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.63 3pck n ASN 59 N -3.24 2.70 0.00 0.19 3.02 -1.26 -4.69 115.26 111.98 3pck n ASN 59 Ca -0.03 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 3pck n ASN 59 Cb 0.10 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 3pck n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pck n GLY 60 N 1.33 0.70 3.82 7.41 0.00 -0.37 -5.04 105.19 113.04 3pck n GLY 60 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3pck n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pck s HIS 61 N -2.25 3.70 0.32 1.61 3.76 -1.26 -4.75 115.29 116.42 3pck s HIS 61 Ca 0.00 1.25 -0.29 0.00 -0.15 0.00 0.00 55.06 55.88 3pck s HIS 61 Cb 0.00 -2.50 -0.10 0.00 1.11 0.00 0.00 32.58 31.08 3pck s HIS 61 CO 0.00 0.46 1.38 -0.51 -0.85 0.00 0.00 174.74 175.22 3pck s LEU 62 N -1.66 4.39 -0.57 0.89 1.43 -1.26 -0.48 118.68 121.42 3pck s LEU 62 Ca 0.36 2.77 -0.15 0.00 -1.03 0.00 0.00 54.13 56.09 3pck s LEU 62 Cb -0.17 -3.65 0.14 0.00 0.03 0.00 0.00 46.19 42.54 3pck s LEU 62 CO 0.20 -0.65 0.51 -0.69 0.23 0.00 0.00 176.35 175.95 3pck s VAL 63 N -0.86 5.09 -2.20 -1.59 1.01 -0.07 -4.86 120.40 116.92 3pck s VAL 63 Ca 0.52 -1.69 0.19 0.00 0.00 0.00 0.00 61.98 61.00 3pck s VAL 63 Cb -0.42 -4.26 0.44 0.00 0.00 0.00 0.00 36.38 32.14 3pck s VAL 63 CO 0.53 -0.88 1.53 0.54 0.00 0.00 0.00 175.10 176.82 3pck n ARG 64 N 5.00 1.61 -0.15 2.72 1.74 -1.26 -4.02 116.66 122.30 3pck n ARG 64 Ca -0.09 -0.92 0.08 0.00 -0.77 0.00 0.00 57.85 56.15 3pck n ARG 64 Cb 0.41 -1.36 0.11 0.00 -1.02 0.00 0.00 32.46 30.60 3pck n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pck n ASP 65 N 0.15 1.87 -4.78 0.55 5.68 -1.26 -3.97 116.55 114.78 3pck n ASP 65 Ca 0.15 -2.85 -0.33 0.00 -0.50 0.00 0.00 54.79 51.26 3pck n ASP 65 Cb 0.28 -0.38 0.04 0.00 -1.14 0.00 0.00 41.12 39.92 3pck n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3pck s SER 66 N -2.47 5.26 -0.04 -1.12 1.04 -1.26 -4.61 113.70 110.50 3pck s SER 66 Ca 0.25 1.93 0.02 0.00 0.48 0.00 0.00 55.95 58.63 3pck s SER 66 Cb 0.22 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.81 3pck s SER 66 CO 0.02 -1.52 -0.08 0.12 0.98 0.00 0.00 173.24 172.76 3pck s PHE 67 N -2.42 0.94 0.06 5.02 5.36 0.39 -2.82 117.98 124.50 3pck s PHE 67 Ca 0.65 -0.26 0.05 0.00 -0.96 0.00 0.00 56.93 56.41 3pck s PHE 67 Cb -0.19 -0.72 -0.03 0.00 -0.34 0.00 0.00 43.02 41.75 3pck s PHE 67 CO 0.42 -0.15 -0.15 -0.51 -1.46 0.00 0.00 175.22 173.37 3pck s LEU 68 N 0.49 2.22 -0.02 6.12 1.02 -0.08 -0.06 118.68 128.37 3pck s LEU 68 Ca -0.08 -0.54 0.05 0.00 0.02 0.00 0.00 54.13 53.59 3pck s LEU 68 Cb -0.11 -0.58 -0.01 0.00 0.02 0.00 0.00 46.19 45.50 3pck s LEU 68 CO 0.01 -0.01 -0.18 -1.61 0.02 0.00 0.00 176.35 174.57 3pck s GLU 69 N -1.45 1.60 0.04 1.70 2.02 -0.09 -1.29 118.70 121.23 3pck s GLU 69 Ca 0.00 -0.64 0.05 0.00 0.02 0.00 0.00 54.97 54.40 3pck s GLU 69 Cb -0.09 -1.49 -0.02 0.00 0.10 0.00 0.00 34.13 32.63 3pck s GLU 69 CO 0.02 0.35 -0.15 0.14 0.02 0.00 0.00 175.26 175.64 3pck s VAL 70 N -0.28 1.17 -0.04 2.63 -7.23 -0.93 -0.30 120.40 115.42 3pck s VAL 70 Ca 0.03 -1.04 -0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3pck s VAL 70 Cb -0.09 -1.06 0.03 0.00 0.56 0.00 0.00 36.38 35.82 3pck s VAL 70 CO 0.00 0.01 0.00 0.86 -0.31 0.00 0.00 175.10 175.66 3pck s TRP 71 N -0.88 0.44 0.05 2.82 -0.11 -0.16 -2.47 118.94 118.64 3pck s TRP 71 Ca 0.02 -0.04 -0.14 0.00 1.22 0.00 0.00 56.10 57.16 3pck s TRP 71 Cb -0.08 -0.56 0.02 0.00 -1.50 0.00 0.00 33.47 31.35 3pck s TRP 71 CO 0.01 -0.20 0.30 1.14 -4.62 0.00 0.00 176.95 173.59 3pck s GLN 72 N 1.39 0.82 0.87 5.86 -2.07 -0.42 -0.56 119.66 125.55 3pck s GLN 72 Ca -0.04 -0.53 -0.12 0.00 -1.82 0.00 0.00 55.36 52.84 3pck s GLN 72 Cb -0.13 0.35 0.11 0.00 -1.09 0.00 0.00 33.01 32.26 3pck s GLN 72 CO -0.02 -0.27 1.13 0.00 -1.32 0.00 0.00 175.29 174.80 3pck s ALA 73 N -2.65 1.95 0.92 2.60 0.00 -1.26 -4.51 121.76 118.81 3pck s ALA 73 Ca -0.04 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 3pck s ALA 73 Cb -0.01 -3.05 0.07 0.00 0.00 0.00 0.00 23.12 20.13 3pck s ALA 73 CO -0.04 -2.09 0.41 -0.40 0.00 0.00 0.00 175.76 173.65 3pck n ASP 74 N -3.64 0.10 0.06 0.00 5.68 0.48 -4.42 116.55 114.80 3pck n ASP 74 Ca 0.07 -1.19 0.10 0.00 -0.50 0.00 0.00 54.79 53.27 3pck n ASP 74 Cb 0.58 -0.31 0.55 0.00 -1.14 0.00 0.00 41.12 40.81 3pck n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pck h ALA 75 N -1.70 1.99 -0.24 2.12 0.00 -1.80 0.37 119.26 120.00 3pck h ALA 75 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3pck h ALA 75 Cb 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3pck h ALA 75 CO 0.10 -0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.38 3pck n ASN 76 N -4.48 1.43 -2.19 0.00 3.02 -1.26 -3.34 115.26 108.44 3pck n ASN 76 Ca 0.04 -2.03 -0.13 0.00 -0.03 0.00 0.00 54.58 52.43 3pck n ASN 76 Cb 0.23 -0.20 0.04 0.00 -0.61 0.00 0.00 39.78 39.24 3pck n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pck n GLY 77 N 0.84 0.11 3.28 7.41 0.00 -0.02 -4.76 105.19 112.05 3pck n GLY 77 Ca 0.08 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3pck n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pck s GLU 78 N -5.68 1.99 -0.25 1.61 2.12 -1.25 -4.69 118.70 112.54 3pck s GLU 78 Ca 0.31 -0.86 -0.19 0.00 0.36 0.00 0.00 54.97 54.60 3pck s GLU 78 Cb -0.14 -1.90 -0.03 0.00 0.26 0.00 0.00 34.13 32.32 3pck s GLU 78 CO 0.39 0.51 0.55 0.71 -0.54 0.00 0.00 175.26 176.87 3pck s TYR 79 N -0.54 3.29 -0.84 5.30 2.02 -1.26 0.18 117.35 125.50 3pck s TYR 79 Ca 0.08 0.71 -0.14 0.00 -0.37 0.00 0.00 57.07 57.35 3pck s TYR 79 Cb -0.10 -2.74 0.22 0.00 -0.40 0.00 0.00 41.96 38.94 3pck s TYR 79 CO -0.01 -0.26 0.79 -0.65 -1.57 0.00 0.00 175.55 173.85 3pck s GLN 80 N 2.25 3.61 0.32 -0.62 -1.52 -1.26 -4.92 119.66 117.52 3pck s GLN 80 Ca 0.23 -2.44 0.17 0.00 -1.95 0.00 0.00 55.36 51.37 3pck s GLN 80 Cb -0.16 -4.45 0.29 0.00 -0.22 0.00 0.00 33.01 28.47 3pck s GLN 80 CO 0.09 -1.31 1.55 0.38 -0.25 0.00 0.00 175.29 175.75 3pck h ASP 81 N 7.81 0.00 -1.34 5.90 2.03 -1.98 -3.26 116.42 125.58 3pck h ASP 81 Ca 0.11 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.85 3pck h ASP 81 Cb 1.04 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.45 3pck h ASP 81 CO 0.77 0.43 1.36 0.00 -1.03 0.00 0.00 179.24 180.77 3pck s ALA 82 N -3.16 2.64 0.20 4.15 0.00 -1.26 -4.97 121.76 119.36 3pck s ALA 82 Ca 0.03 -2.01 -0.32 0.00 0.00 0.00 0.00 51.96 49.66 3pck s ALA 82 Cb 0.08 -4.48 -0.11 0.00 0.00 0.00 0.00 23.12 18.62 3pck s ALA 82 CO 0.72 -3.63 1.63 -0.47 0.00 0.00 0.00 175.76 174.01 3pck s TYR 83 N 5.51 2.97 -0.28 0.00 5.04 -1.26 -4.99 117.35 124.34 3pck s TYR 83 Ca 0.46 0.53 -0.15 0.00 -2.44 0.00 0.00 57.07 55.47 3pck s TYR 83 Cb -0.02 -4.03 0.09 0.00 0.35 0.00 0.00 41.96 38.35 3pck s TYR 83 CO -0.04 -3.80 0.68 1.21 -1.34 0.00 0.00 175.55 172.26 3pck s ASN 84 N 1.07 -0.97 0.60 4.32 3.84 -1.26 -5.02 114.94 117.52 3pck s ASN 84 Ca 0.71 1.52 0.39 0.00 0.21 0.00 0.00 52.86 55.69 3pck s ASN 84 Cb -0.47 1.50 1.99 0.00 -0.55 0.00 0.00 41.25 43.72 3pck s ASN 84 CO 0.33 -0.24 2.19 -0.07 -2.79 0.00 0.00 177.10 176.53 3pck h LEU 85 N 7.13 0.00 0.01 3.21 3.38 -1.97 -1.48 115.31 125.59 3pck h LEU 85 Ca -0.29 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.46 3pck h LEU 85 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3pck h LEU 85 CO 0.15 0.00 -1.07 -0.33 0.09 0.00 0.00 178.44 177.29 3pck h GLU 86 N 0.00 0.02 -6.55 1.13 5.08 -1.99 -3.46 114.58 108.80 3pck h GLU 86 Ca 0.00 -0.03 -0.58 0.00 -1.00 0.00 0.00 59.36 57.75 3pck h GLU 86 Cb 0.17 0.01 0.16 0.00 0.50 0.00 0.00 28.75 29.59 3pck h GLU 86 CO 0.00 0.98 -0.24 0.09 -1.00 0.00 0.00 179.01 178.84 3pck n ASN 87 N -3.34 -0.43 0.12 1.42 3.02 -0.56 -4.87 115.26 110.62 3pck n ASN 87 Ca -0.02 0.81 0.07 0.00 -0.03 0.00 0.00 54.58 55.42 3pck n ASN 87 Cb 0.95 -1.22 0.02 0.00 -0.61 0.00 0.00 39.78 38.92 3pck n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pck h ALA 88 N 0.53 0.67 -3.30 5.41 0.00 -1.90 -3.44 119.26 117.23 3pck h ALA 88 Ca -0.45 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 53.96 3pck h ALA 88 Cb 1.39 0.05 -0.29 0.00 0.00 0.00 0.00 17.79 18.94 3pck h ALA 88 CO 0.50 0.33 -0.56 0.12 0.00 0.00 0.00 179.25 179.63 3pck s PHE 89 N -3.16 -0.18 -0.04 0.00 5.36 -1.26 0.20 117.98 118.91 3pck s PHE 89 Ca 0.01 0.46 0.04 0.00 -0.96 0.00 0.00 56.93 56.49 3pck s PHE 89 Cb 0.08 -0.00 -0.00 0.00 -0.34 0.00 0.00 43.02 42.75 3pck s PHE 89 CO 0.76 -0.13 -0.17 -0.80 -1.46 0.00 0.00 175.22 173.42 3pck s ASN 90 N 0.63 2.19 0.50 6.13 0.01 0.51 -4.95 114.94 119.96 3pck s ASN 90 Ca -0.05 -0.36 0.29 0.00 -0.71 0.00 0.00 52.86 52.04 3pck s ASN 90 Cb -0.06 -0.60 0.98 0.00 0.41 0.00 0.00 41.25 41.97 3pck s ASN 90 CO -0.03 0.16 1.84 0.28 -1.51 0.00 0.00 177.10 177.84 3pck h SER 91 N 6.24 0.00 -3.87 -1.22 0.02 -1.79 -3.44 113.55 109.49 3pck h SER 91 Ca -0.33 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.94 3pck h SER 91 Cb 1.17 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.51 3pck h SER 91 CO 0.48 0.04 -0.78 0.12 -1.14 0.00 0.00 176.83 175.54 3pck s PHE 92 N -3.51 2.62 0.30 3.45 2.19 -1.26 -1.30 117.98 120.47 3pck s PHE 92 Ca 0.03 -0.21 -0.13 0.00 0.33 0.00 0.00 56.93 56.95 3pck s PHE 92 Cb 0.08 -1.48 0.01 0.00 -1.31 0.00 0.00 43.02 40.32 3pck s PHE 92 CO 0.60 0.29 0.59 0.20 1.83 0.00 0.00 175.22 178.73 3pck s GLY 93 N -1.51 0.58 -0.00 13.12 0.00 -1.03 -4.82 107.32 113.65 3pck s GLY 93 Ca 0.16 -0.87 -0.06 0.00 0.00 0.00 0.00 44.72 43.94 3pck s GLY 93 CO 0.06 -0.53 0.12 0.50 0.00 0.00 0.00 173.10 173.25 3pck s ARG 94 N -3.44 0.42 0.26 2.90 0.52 -0.52 -2.19 118.95 116.91 3pck s ARG 94 Ca 0.20 -0.35 -0.15 0.00 -0.52 0.00 0.00 55.73 54.91 3pck s ARG 94 Cb -0.03 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.62 3pck s ARG 94 CO 0.11 -0.09 0.55 -0.08 0.02 0.00 0.00 175.30 175.81 3pck s THR 95 N -1.21 0.00 0.13 0.02 -1.32 -0.41 -1.49 115.64 111.36 3pck s THR 95 Ca -0.13 -1.29 -0.13 0.00 -1.21 0.00 0.00 61.69 58.93 3pck s THR 95 Cb -0.07 -2.16 0.02 0.00 -1.51 0.00 0.00 72.50 68.78 3pck s THR 95 CO 0.01 0.00 0.35 0.00 -2.21 0.00 0.00 174.62 172.77 3pck s ALA 96 N -3.96 -0.60 0.08 11.08 0.00 -1.26 -0.91 121.76 126.20 3pck s ALA 96 Ca 0.19 -0.36 -0.21 0.00 0.00 0.00 0.00 51.96 51.58 3pck s ALA 96 Cb -0.02 0.70 -0.07 0.00 0.00 0.00 0.00 23.12 23.73 3pck s ALA 96 CO 0.09 -0.64 0.63 0.95 0.00 0.00 0.00 175.76 176.79 3pck s THR 97 N -3.86 4.68 0.38 0.00 -4.23 -1.13 -4.18 115.64 107.31 3pck s THR 97 Ca 0.07 1.36 -0.27 0.00 -1.18 0.00 0.00 61.69 61.67 3pck s THR 97 Cb 0.02 -3.97 -0.09 0.00 1.34 0.00 0.00 72.50 69.80 3pck s THR 97 CO -0.08 0.51 1.28 0.42 -0.54 0.00 0.00 174.62 176.21 3pck s THR 98 N -0.89 2.72 -0.07 3.99 -4.23 -1.13 -4.59 115.64 111.44 3pck s THR 98 Ca 0.31 0.66 0.30 0.00 -1.18 0.00 0.00 61.69 61.78 3pck s THR 98 Cb -0.20 -3.40 0.32 0.00 1.34 0.00 0.00 72.50 70.57 3pck s THR 98 CO 0.21 0.11 1.90 -0.26 -0.54 0.00 0.00 174.62 176.03 3pck h PHE 99 N 2.86 0.00 0.00 3.99 0.04 -1.96 -0.24 116.94 121.63 3pck h PHE 99 Ca -0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.28 3pck h PHE 99 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 3pck h PHE 99 CO 0.54 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.85 3pck n ASP 100 N -2.67 0.00 -0.35 2.17 5.75 -1.26 -4.71 116.55 115.49 3pck n ASP 100 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 54.79 54.95 3pck n ASP 100 Cb 0.21 0.00 0.37 0.00 -1.03 0.00 0.00 41.12 40.67 3pck n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pck h ALA 101 N -2.00 1.75 -1.02 2.12 0.00 -1.99 -3.46 119.26 114.65 3pck h ALA 101 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3pck h ALA 101 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3pck h ALA 101 CO 0.00 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.44 3pck n GLY 102 N -1.32 0.85 3.33 0.00 0.00 -0.10 -4.94 105.19 103.01 3pck n GLY 102 Ca 0.26 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 3pck n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pck s GLU 103 N -3.96 1.78 0.24 1.61 2.12 -1.26 -4.31 118.70 114.93 3pck s GLU 103 Ca 0.00 -1.07 0.08 0.00 0.36 0.00 0.00 54.97 54.35 3pck s GLU 103 Cb 0.00 -1.92 -0.04 0.00 0.26 0.00 0.00 34.13 32.43 3pck s GLU 103 CO 0.00 0.50 0.05 1.67 -0.54 0.00 0.00 175.26 176.94 3pck s TRP 104 N -0.78 2.84 -0.01 5.30 1.48 -0.18 -2.83 118.94 124.76 3pck s TRP 104 Ca 0.11 -0.17 -0.05 0.00 -1.06 0.00 0.00 56.10 54.93 3pck s TRP 104 Cb -0.10 -1.29 -0.00 0.00 -1.16 0.00 0.00 33.47 30.92 3pck s TRP 104 CO 0.02 0.57 0.09 0.95 -4.06 0.00 0.00 176.95 174.52 3pck s THR 105 N -2.15 0.07 0.01 0.66 -4.23 -1.26 -2.39 115.64 106.34 3pck s THR 105 Ca 0.31 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 3pck s THR 105 Cb -0.07 -0.32 -0.01 0.00 1.34 0.00 0.00 72.50 73.44 3pck s THR 105 CO 0.21 -0.30 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.22 3pck s LEU 106 N -0.98 2.06 -0.24 4.79 1.43 -0.47 -4.84 118.68 120.45 3pck s LEU 106 Ca -0.11 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 3pck s LEU 106 Cb -0.06 -0.00 0.03 0.00 0.03 0.00 0.00 46.19 46.19 3pck s LEU 106 CO 0.01 -0.07 -0.10 -1.00 0.23 0.00 0.00 176.35 175.41 3pck s HIS 107 N -0.39 3.05 0.00 0.29 3.76 0.54 -0.69 115.29 121.85 3pck s HIS 107 Ca -0.04 -1.77 0.00 0.00 -0.15 0.00 0.00 55.06 53.10 3pck s HIS 107 Cb -0.03 -2.00 0.00 0.00 1.11 0.00 0.00 32.58 31.67 3pck s HIS 107 CO -0.00 -0.79 0.00 -2.37 -0.85 0.00 0.00 174.74 170.73 3pck n THR 108 N 4.60 0.00 -4.21 1.30 5.66 -0.81 -0.23 114.28 120.59 3pck n THR 108 Ca -0.17 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.64 3pck n THR 108 Cb 0.46 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.13 3pck n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pck s VAL 109 N -2.06 1.26 0.03 1.08 -7.23 -1.26 -0.73 120.40 111.50 3pck s VAL 109 Ca 0.00 -1.44 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 3pck s VAL 109 Cb 0.00 -1.26 -0.07 0.00 0.56 0.00 0.00 36.38 35.61 3pck s VAL 109 CO 0.00 -0.24 1.61 -0.75 -0.31 0.00 0.00 175.10 175.41 3pck s LYS 110 N -1.99 4.21 0.44 4.82 2.20 -0.20 -4.89 119.74 124.33 3pck s LYS 110 Ca 0.02 2.24 -0.24 0.00 -0.36 0.00 0.00 55.97 57.62 3pck s LYS 110 Cb -0.09 -3.67 -0.08 0.00 -1.51 0.00 0.00 37.83 32.48 3pck s LYS 110 CO 0.03 -0.73 1.27 -1.25 -0.36 0.00 0.00 175.35 174.31 3pck s PRO 111 N 2.88 3.77 0.90 4.03 0.04 -1.26 -4.23 135.00 141.12 3pck s PRO 111 Ca 0.72 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 63.69 3pck s PRO 111 Cb -0.37 -2.58 0.14 0.00 0.04 0.00 0.00 34.50 31.73 3pck s PRO 111 CO 0.31 -0.63 1.20 0.20 0.04 0.00 0.00 177.00 178.12 3pck s GLY 112 N -0.95 1.63 0.28 0.56 0.00 0.11 -4.70 107.32 104.25 3pck s GLY 112 Ca 0.61 -0.77 -0.20 0.00 0.00 0.00 0.00 44.72 44.36 3pck s GLY 112 CO 0.45 -0.17 0.79 0.14 0.00 0.00 0.00 173.10 174.31 3pck s VAL 113 N -3.54 4.51 0.07 1.40 1.01 -1.26 -4.36 120.40 118.23 3pck s VAL 113 Ca 0.66 1.33 0.03 0.00 0.00 0.00 0.00 61.98 64.00 3pck s VAL 113 Cb -0.10 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3pck s VAL 113 CO 0.52 0.07 -0.09 0.68 0.00 0.00 0.00 175.10 176.27 3pck s VAL 114 N -1.69 0.78 0.16 2.92 -7.23 -1.26 -4.49 120.40 109.60 3pck s VAL 114 Ca 0.48 -1.44 -0.00 0.00 -1.81 0.00 0.00 61.98 59.22 3pck s VAL 114 Cb -0.15 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.65 3pck s VAL 114 CO 0.20 -0.50 0.34 0.20 -0.31 0.00 0.00 175.10 175.03 3pck s ASN 115 N -2.13 6.38 1.00 4.85 -0.87 -1.26 -0.18 114.94 122.73 3pck s ASN 115 Ca -0.00 0.34 -0.16 0.00 -1.57 0.00 0.00 52.86 51.46 3pck s ASN 115 Cb -0.05 -1.98 0.21 0.00 -0.02 0.00 0.00 41.25 39.41 3pck s ASN 115 CO -0.00 0.02 1.29 0.54 -2.57 0.00 0.00 177.10 176.37 3pck s ASN 116 N -3.04 2.80 0.63 -1.22 2.20 0.12 -4.88 114.94 111.56 3pck s ASN 116 Ca 0.37 0.33 0.42 0.00 -0.94 0.00 0.00 52.86 53.05 3pck s ASN 116 Cb -0.11 -0.42 2.24 0.00 -2.00 0.00 0.00 41.25 40.96 3pck s ASN 116 CO 0.28 -2.93 2.29 0.00 -2.94 0.00 0.00 177.10 173.80 3pck h ALA 117 N -1.78 1.00 -0.15 3.54 0.00 -2.00 -1.36 119.26 118.52 3pck h ALA 117 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3pck h ALA 117 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3pck h ALA 117 CO 0.38 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3pck n ALA 118 N -2.06 2.49 -0.69 0.00 0.00 -1.26 -4.95 120.51 114.05 3pck n ALA 118 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.75 3pck n ALA 118 Cb 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3pck n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pck n GLY 119 N 1.30 0.66 3.76 0.00 0.00 -0.51 -5.06 105.19 105.32 3pck n GLY 119 Ca 0.17 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3pck n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pck s VAL 120 N -2.00 5.19 0.34 1.61 1.01 -1.26 -4.79 120.40 120.50 3pck s VAL 120 Ca 0.00 0.77 -0.28 0.00 0.00 0.00 0.00 61.98 62.48 3pck s VAL 120 Cb 0.00 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 3pck s VAL 120 CO 0.00 0.42 1.17 -2.16 0.00 0.00 0.00 175.10 174.53 3pck s PRO 121 N 0.07 4.36 0.02 2.72 0.04 -1.26 0.14 135.00 141.08 3pck s PRO 121 Ca 0.22 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 3pck s PRO 121 Cb -0.15 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 3pck s PRO 121 CO 0.09 -0.07 0.15 -1.64 0.04 0.00 0.00 177.00 175.56 3pck s MET 122 N -1.86 3.26 0.61 4.56 -1.94 0.74 -4.48 119.30 120.19 3pck s MET 122 Ca 0.50 -0.44 -0.17 0.00 -1.71 0.00 0.00 55.69 53.87 3pck s MET 122 Cb -0.33 -2.97 -0.02 0.00 2.01 0.00 0.00 34.83 33.52 3pck s MET 122 CO 0.42 0.64 1.15 0.00 -0.01 0.00 0.00 175.02 177.22 3pck s ALA 123 N -1.33 2.52 0.20 3.03 0.00 -1.26 -4.02 121.76 120.91 3pck s ALA 123 Ca 0.28 0.79 -0.31 0.00 0.00 0.00 0.00 51.96 52.71 3pck s ALA 123 Cb -0.12 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.46 3pck s ALA 123 CO 0.20 -1.15 1.07 -2.30 0.00 0.00 0.00 175.76 173.58 3pck n PRO 124 N -1.88 1.12 -3.48 0.00 -0.02 -1.26 -4.89 135.00 124.58 3pck n PRO 124 Ca 0.12 0.40 -0.13 0.00 -2.02 0.00 0.00 63.50 61.86 3pck n PRO 124 Cb 0.51 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 3pck n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pck s HIS 125 N -0.49 -0.51 -0.19 6.00 -3.43 -1.26 -4.42 115.29 111.00 3pck s HIS 125 Ca 0.69 0.45 -0.02 0.00 -0.80 0.00 0.00 55.06 55.38 3pck s HIS 125 Cb -0.82 0.47 -0.01 0.00 -1.43 0.00 0.00 32.58 30.79 3pck s HIS 125 CO 0.55 -0.76 -0.09 0.42 -2.00 0.00 0.00 174.74 172.86 3pck s ILE 126 N -3.09 3.12 0.11 -5.38 1.01 -0.86 -4.57 121.20 111.54 3pck s ILE 126 Ca -0.02 -0.60 -0.28 0.00 0.00 0.00 0.00 60.65 59.75 3pck s ILE 126 Cb -0.00 -2.38 -0.06 0.00 0.01 0.00 0.00 42.46 40.03 3pck s ILE 126 CO -0.07 0.47 0.89 0.20 0.00 0.00 0.00 174.94 176.43 3pck s ASN 127 N 1.10 7.42 0.03 3.58 0.01 0.28 -0.85 114.94 126.50 3pck s ASN 127 Ca 0.01 1.70 0.06 0.00 -0.71 0.00 0.00 52.86 53.91 3pck s ASN 127 Cb -0.15 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 3pck s ASN 127 CO -0.02 0.00 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.78 3pck s ILE 128 N -0.23 1.34 -0.10 0.60 1.01 -0.12 -0.98 121.20 122.71 3pck s ILE 128 Ca 0.43 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 60.10 3pck s ILE 128 Cb -0.23 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.09 3pck s ILE 128 CO 0.28 0.15 -0.15 -0.44 0.00 0.00 0.00 174.94 174.78 3pck s SER 129 N -0.98 2.33 -0.11 3.58 0.01 0.59 -1.41 113.70 117.71 3pck s SER 129 Ca 0.05 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.91 3pck s SER 129 Cb -0.08 -1.05 -0.02 0.00 0.21 0.00 0.00 66.02 65.09 3pck s SER 129 CO 0.01 0.02 -0.14 -0.22 0.41 0.00 0.00 173.24 173.32 3pck s LEU 130 N 0.90 2.67 0.09 2.44 2.96 0.74 -0.92 118.68 127.57 3pck s LEU 130 Ca -0.09 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 53.58 3pck s LEU 130 Cb -0.15 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 3pck s LEU 130 CO 0.00 0.20 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.69 3pck s PHE 131 N 0.12 1.58 0.00 5.38 0.40 0.92 -1.49 117.98 124.89 3pck s PHE 131 Ca -0.07 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 3pck s PHE 131 Cb -0.15 -0.87 0.00 0.00 0.51 0.00 0.00 43.02 42.51 3pck s PHE 131 CO 0.05 0.15 0.00 0.00 0.70 0.00 0.00 175.22 176.12 3pck n ALA 132 N 1.15 0.00 -1.73 5.36 0.00 -1.26 -0.46 120.51 123.57 3pck n ALA 132 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 3pck n ALA 132 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 3pck n ALA 132 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3pck n ARG 133 N -0.15 2.76 -0.07 0.00 0.63 -1.25 -1.16 116.66 117.42 3pck n ARG 133 Ca 0.00 0.99 0.00 0.00 -0.92 0.00 0.00 57.85 57.92 3pck n ARG 133 Cb 0.00 -2.82 0.00 0.00 0.45 0.00 0.00 32.46 30.09 3pck n ARG 133 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3pck n GLY 134 N 3.30 0.75 3.21 5.14 0.00 -1.26 -5.00 105.19 111.34 3pck n GLY 134 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3pck n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pck s ILE 135 N -2.34 3.84 0.23 -0.61 1.01 -0.31 -4.97 121.20 118.05 3pck s ILE 135 Ca 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 60.65 58.97 3pck s ILE 135 Cb 0.00 -3.43 0.14 0.00 0.01 0.00 0.00 42.46 39.17 3pck s ILE 135 CO 0.00 -0.55 1.76 0.78 0.00 0.00 0.00 174.94 176.93 3pck h ASN 136 N 8.27 0.96 -3.49 3.58 2.35 -1.91 -3.34 115.58 122.01 3pck h ASN 136 Ca -0.20 -0.19 -0.36 0.00 -0.55 0.00 0.00 56.30 55.00 3pck h ASN 136 Cb 1.07 -0.25 -0.34 0.00 0.05 0.00 0.00 38.32 38.85 3pck h ASN 136 CO 0.73 0.92 -0.75 -0.51 -1.65 0.00 0.00 177.43 176.17 3pck s ILE 137 N -5.29 0.26 0.61 2.81 2.07 -1.26 -2.98 121.20 117.42 3pck s ILE 137 Ca -0.11 0.04 -0.18 0.00 -1.41 0.00 0.00 60.65 58.99 3pck s ILE 137 Cb 0.15 -0.34 -0.07 0.00 0.13 0.00 0.00 42.46 42.33 3pck s ILE 137 CO 0.83 0.16 0.60 0.00 -1.91 0.00 0.00 174.94 174.62 3pck n HIS 138 N 4.12 -0.46 -3.94 3.50 1.44 -1.26 -4.97 115.22 113.66 3pck n HIS 138 Ca -0.26 0.42 -0.36 0.00 -2.01 0.00 0.00 57.72 55.52 3pck n HIS 138 Cb 0.50 -1.98 -0.08 0.00 0.12 0.00 0.00 29.99 28.56 3pck n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3pck s LEU 139 N 0.07 4.10 -0.19 2.39 1.43 -0.56 -4.91 118.68 121.01 3pck s LEU 139 Ca 0.69 0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 53.98 3pck s LEU 139 Cb -0.42 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 3pck s LEU 139 CO 0.54 0.29 0.09 -1.00 0.23 0.00 0.00 176.35 176.49 3pck s HIS 140 N -0.31 3.30 0.22 0.29 3.76 -1.26 -0.19 115.29 121.09 3pck s HIS 140 Ca 0.10 0.15 -0.05 0.00 -0.15 0.00 0.00 55.06 55.11 3pck s HIS 140 Cb -0.12 -2.11 -0.03 0.00 1.11 0.00 0.00 32.58 31.43 3pck s HIS 140 CO 0.01 0.19 0.24 -0.08 -0.85 0.00 0.00 174.74 174.26 3pck s THR 141 N 0.39 0.00 -0.02 1.30 -1.32 -0.50 0.33 115.64 115.82 3pck s THR 141 Ca 0.05 -1.81 0.04 0.00 -1.21 0.00 0.00 61.69 58.76 3pck s THR 141 Cb -0.12 -2.40 -0.01 0.00 -1.51 0.00 0.00 72.50 68.46 3pck s THR 141 CO -0.00 0.00 -0.14 -0.13 -2.21 0.00 0.00 174.62 172.13 3pck s ARG 142 N -4.11 1.31 -0.23 7.08 0.52 -1.26 -0.95 118.95 121.31 3pck s ARG 142 Ca 0.34 -0.50 -0.09 0.00 -0.52 0.00 0.00 55.73 54.95 3pck s ARG 142 Cb 0.04 -1.21 -0.05 0.00 0.52 0.00 0.00 34.95 34.26 3pck s ARG 142 CO 0.11 0.25 0.13 -1.17 0.02 0.00 0.00 175.30 174.64 3pck s LEU 143 N -0.11 3.95 0.35 2.53 0.20 -0.03 -4.77 118.68 120.81 3pck s LEU 143 Ca 0.01 0.06 0.09 0.00 0.69 0.00 0.00 54.13 54.98 3pck s LEU 143 Cb -0.08 -2.05 -0.05 0.00 -0.43 0.00 0.00 46.19 43.58 3pck s LEU 143 CO 0.00 0.07 0.03 -0.31 -0.29 0.00 0.00 176.35 175.86 3pck s TYR 144 N 0.99 2.56 -0.10 5.38 1.51 0.77 -2.03 117.35 126.43 3pck s TYR 144 Ca 0.06 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 55.68 3pck s TYR 144 Cb -0.14 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.15 3pck s TYR 144 CO 0.04 0.45 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.73 3pck s PHE 145 N -2.53 2.77 0.60 2.71 0.40 -1.26 0.14 117.98 120.80 3pck s PHE 145 Ca 0.35 -0.45 0.33 0.00 -0.60 0.00 0.00 56.93 56.56 3pck s PHE 145 Cb 0.01 -1.76 1.93 0.00 0.51 0.00 0.00 43.02 43.71 3pck s PHE 145 CO 0.20 -0.05 2.27 0.38 0.70 0.00 0.00 175.22 178.72 3pck h ASP 146 N 6.16 0.00 -0.28 1.36 2.03 -1.63 -2.05 116.42 122.01 3pck h ASP 146 Ca -0.34 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 55.92 3pck h ASP 146 Cb 1.19 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.67 3pck h ASP 146 CO 0.53 0.01 0.05 -0.90 -1.03 0.00 0.00 179.24 177.90 3pck n ASP 147 N -3.69 3.10 -1.75 4.15 5.68 -1.26 -3.70 116.55 119.07 3pck n ASP 147 Ca -0.03 -2.45 -0.00 0.00 -0.50 0.00 0.00 54.79 51.81 3pck n ASP 147 Cb 0.09 -0.59 0.07 0.00 -1.14 0.00 0.00 41.12 39.54 3pck n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pck n GLU 148 N 0.19 1.27 -0.30 0.11 -0.58 -0.77 -4.91 120.64 115.65 3pck n GLU 148 Ca 0.14 -2.96 -0.01 0.00 -0.42 0.00 0.00 57.16 53.91 3pck n GLU 148 Cb 0.72 -1.06 0.05 0.00 -0.57 0.00 0.00 31.44 30.57 3pck n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pck h ALA 149 N 1.59 0.21 -0.96 0.62 0.00 -1.76 0.36 119.26 119.32 3pck h ALA 149 Ca -0.08 0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3pck h ALA 149 Cb 1.50 0.83 -0.07 0.00 0.00 0.00 0.00 17.79 20.05 3pck h ALA 149 CO 0.19 -0.58 0.61 1.96 0.00 0.00 0.00 179.25 181.43 3pck h GLN 150 N -0.06 1.07 -0.10 0.00 4.20 -1.94 -1.38 115.11 116.91 3pck h GLN 150 Ca 0.33 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.83 3pck h GLN 150 Cb 0.59 -0.24 0.01 0.00 0.30 0.00 0.00 27.48 28.14 3pck h GLN 150 CO -0.85 0.70 -0.50 0.00 -0.67 0.00 0.00 178.83 177.52 3pck h ALA 151 N 1.45 0.19 -0.39 3.87 0.00 -1.38 -3.27 119.26 119.72 3pck h ALA 151 Ca 0.42 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3pck h ALA 151 Cb 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3pck h ALA 151 CO -0.18 0.37 0.23 -0.91 0.00 0.00 0.00 179.25 178.76 3pck h ASN 152 N 0.10 0.46 0.74 0.00 2.35 -0.02 -2.21 115.58 117.00 3pck h ASN 152 Ca -0.03 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.64 3pck h ASN 152 Cb 1.14 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 3pck h ASN 152 CO 0.10 0.37 -0.26 0.00 -1.65 0.00 0.00 177.43 175.99 3pck h ALA 153 N 1.72 1.09 0.00 -0.83 0.00 -1.31 -3.13 119.26 116.80 3pck h ALA 153 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3pck h ALA 153 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3pck h ALA 153 CO -0.03 0.32 -1.11 1.63 0.00 0.00 0.00 179.25 180.06 3pck n LYS 154 N -3.53 0.23 -1.68 0.00 4.76 -0.87 -4.91 118.16 112.15 3pck n LYS 154 Ca -0.01 -0.03 -0.50 0.00 -2.87 0.00 0.00 58.31 54.91 3pck n LYS 154 Cb 0.41 -1.55 -0.05 0.00 -1.84 0.00 0.00 35.03 32.00 3pck n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3pck h PRO 156 N 7.79 0.00 0.00 0.00 0.13 -1.93 -1.56 132.00 136.43 3pck h PRO 156 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 3pck h PRO 156 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 3pck h PRO 156 CO 0.92 0.00 -0.46 0.28 -0.23 0.00 0.00 178.00 178.52 3pck h VAL 157 N 0.00 0.33 -0.66 1.56 2.07 -1.94 -3.29 116.25 114.31 3pck h VAL 157 Ca 0.00 -1.33 0.16 0.00 0.82 0.00 0.00 66.70 66.35 3pck h VAL 157 Cb 0.35 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3pck h VAL 157 CO 0.00 0.11 0.46 0.25 0.02 0.00 0.00 177.57 178.41 3pck h LEU 158 N -1.00 0.18 -0.55 2.57 5.85 -1.88 0.13 115.31 120.61 3pck h LEU 158 Ca -0.06 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3pck h LEU 158 Cb 0.56 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3pck h LEU 158 CO -0.04 0.09 0.00 0.78 -0.34 0.00 0.00 178.44 178.94 3pck h ASN 159 N 0.20 0.00 1.32 1.25 2.35 -1.44 -2.75 115.58 116.51 3pck h ASN 159 Ca 0.32 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.05 3pck h ASN 159 Cb 0.98 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.35 3pck h ASN 159 CO -0.06 0.00 -0.11 -0.07 -1.65 0.00 0.00 177.43 175.54 3pck h LEU 160 N 0.00 0.00 -8.78 1.61 3.38 -1.03 -3.42 115.31 107.08 3pck h LEU 160 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3pck h LEU 160 Cb 0.66 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 3pck h LEU 160 CO 0.00 0.11 1.06 -0.63 0.09 0.00 0.00 178.44 179.07 3pck s ILE 161 N -3.46 3.93 0.19 1.22 1.01 -1.04 -4.93 121.20 118.12 3pck s ILE 161 Ca 0.03 0.95 -0.24 0.00 0.00 0.00 0.00 60.65 61.39 3pck s ILE 161 Cb 0.08 -4.25 0.08 0.00 0.01 0.00 0.00 42.46 38.38 3pck s ILE 161 CO 0.62 -0.80 1.56 -0.33 0.00 0.00 0.00 174.94 176.00 3pck h GLU 162 N 10.56 -0.12 -5.01 2.79 5.08 -1.88 -3.39 114.58 122.61 3pck h GLU 162 Ca -0.27 0.01 -0.67 0.00 -1.00 0.00 0.00 59.36 57.43 3pck h GLU 162 Cb 1.10 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 30.21 3pck h GLU 162 CO 1.09 -0.08 -0.19 -0.65 -1.00 0.00 0.00 179.01 178.19 3pck s GLN 163 N -5.82 3.42 0.52 2.33 -1.52 -1.26 -4.97 119.66 112.36 3pck s GLN 163 Ca -0.14 -0.46 0.35 0.00 -1.95 0.00 0.00 55.36 53.16 3pck s GLN 163 Cb 0.15 -3.86 1.50 0.00 -0.22 0.00 0.00 33.01 30.58 3pck s GLN 163 CO 0.67 -0.68 1.79 -1.35 -0.25 0.00 0.00 175.29 175.47 3pck h PRO 164 N 8.57 0.05 -0.42 2.91 0.11 -1.97 0.85 132.00 142.10 3pck h PRO 164 Ca -0.28 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.76 3pck h PRO 164 Cb 1.13 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3pck h PRO 164 CO 0.75 0.03 -0.00 1.96 -0.21 0.00 0.00 178.00 180.53 3pck h GLN 165 N 0.05 0.68 0.00 1.05 7.50 -1.94 -2.77 115.11 119.68 3pck h GLN 165 Ca 0.59 -0.17 -0.07 0.00 0.50 0.00 0.00 58.65 59.50 3pck h GLN 165 Cb 2.25 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 29.68 3pck h GLN 165 CO -0.06 0.70 -0.34 0.00 -1.50 0.00 0.00 178.83 177.64 3pck h ARG 166 N 0.64 0.00 -0.05 1.46 3.08 -1.22 -3.00 114.38 115.30 3pck h ARG 166 Ca 0.13 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 3pck h ARG 166 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3pck h ARG 166 CO 0.02 0.34 -0.23 0.00 -1.07 0.00 0.00 179.97 179.02 3pck h ARG 167 N 0.00 0.09 -0.19 0.04 3.08 -1.50 -2.59 114.38 113.31 3pck h ARG 167 Ca -0.00 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3pck h ARG 167 Cb 0.67 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3pck h ARG 167 CO 0.04 0.32 -0.07 0.93 -1.07 0.00 0.00 179.97 180.13 3pck h GLU 168 N 0.08 0.30 -0.09 0.04 5.08 -1.59 -2.32 114.58 116.08 3pck h GLU 168 Ca 0.01 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3pck h GLU 168 Cb 0.46 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3pck h GLU 168 CO 0.03 0.38 0.15 1.79 -1.00 0.00 0.00 179.01 180.36 3pck h THR 169 N 0.29 0.28 -0.01 1.13 1.35 -1.60 -1.95 112.91 112.40 3pck h THR 169 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 3pck h THR 169 Cb 0.30 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3pck h THR 169 CO 0.01 0.00 -0.13 0.18 -0.25 0.00 0.00 175.52 175.34 3pck n LEU 170 N -3.47 0.97 -4.60 3.87 4.77 -0.87 -4.85 117.00 112.82 3pck n LEU 170 Ca -0.01 -0.25 -0.39 0.00 -0.03 0.00 0.00 56.01 55.34 3pck n LEU 170 Cb 0.24 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 3pck n LEU 170 CO 0.23 0.17 -0.02 -0.63 -1.33 0.00 0.00 177.39 175.81 3pck s ILE 171 N -2.31 5.22 0.25 -0.08 1.01 -0.74 -0.16 121.20 124.40 3pck s ILE 171 Ca 0.31 0.43 -0.30 0.00 0.00 0.00 0.00 60.65 61.09 3pck s ILE 171 Cb 0.20 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 3pck s ILE 171 CO 0.44 0.19 1.02 0.00 0.00 0.00 0.00 174.94 176.59 3pck s ALA 172 N 1.95 3.37 -0.35 9.38 0.00 0.37 -4.84 121.76 131.64 3pck s ALA 172 Ca 0.12 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.69 3pck s ALA 172 Cb -0.16 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3pck s ALA 172 CO 0.10 0.02 0.33 0.15 0.00 0.00 0.00 175.76 176.36 3pck s LYS 173 N -1.23 3.51 0.27 0.00 1.02 -0.60 -1.61 119.74 121.09 3pck s LYS 173 Ca 0.43 -0.52 -0.30 0.00 0.02 0.00 0.00 55.97 55.61 3pck s LYS 173 Cb -0.29 -3.82 -0.10 0.00 -0.52 0.00 0.00 37.83 33.10 3pck s LYS 173 CO 0.36 -0.52 1.43 0.50 -0.92 0.00 0.00 175.35 176.21 3pck s ARG 174 N 1.92 4.26 0.00 1.68 3.52 -1.26 -1.24 118.95 127.83 3pck s ARG 174 Ca 0.10 2.32 0.00 0.00 -0.13 0.00 0.00 55.73 58.02 3pck s ARG 174 Cb -0.17 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 3pck s ARG 174 CO 0.11 -0.41 0.00 0.00 -0.81 0.00 0.00 175.30 174.19 3pck s GLU 176 N 1.01 0.29 -0.17 0.00 2.12 -1.26 -1.56 118.70 119.13 3pck s GLU 176 Ca 0.00 0.37 -0.01 0.00 0.36 0.00 0.00 54.97 55.69 3pck s GLU 176 Cb 0.00 0.13 0.05 0.00 0.26 0.00 0.00 34.13 34.56 3pck s GLU 176 CO 0.00 -0.04 -0.02 0.08 -0.54 0.00 0.00 175.26 174.73 3pck s VAL 177 N 0.21 0.92 -1.33 3.70 1.01 0.27 -4.76 120.40 120.43 3pck s VAL 177 Ca -0.01 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 3pck s VAL 177 Cb -0.02 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.18 3pck s VAL 177 CO -0.00 0.04 1.13 0.47 0.00 0.00 0.00 175.10 176.74 3pck n ASP 178 N 4.93 -5.26 -0.88 3.32 8.00 -1.26 -0.24 116.55 125.16 3pck n ASP 178 Ca -0.11 -0.57 -0.11 0.00 0.71 0.00 0.00 54.79 54.71 3pck n ASP 178 Cb 0.47 -5.02 -0.05 0.00 -0.02 0.00 0.00 41.12 36.50 3pck n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pck n GLY 179 N -1.79 1.21 3.61 0.44 0.00 -1.26 -4.97 105.19 102.42 3pck n GLY 179 Ca -0.06 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 3pck n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pck s LYS 180 N -2.83 2.74 0.04 1.61 2.20 0.67 -5.07 119.74 119.09 3pck s LYS 180 Ca 0.00 -0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 54.74 3pck s LYS 180 Cb 0.00 -2.60 -0.07 0.00 -1.51 0.00 0.00 37.83 33.64 3pck s LYS 180 CO 0.00 0.65 1.61 0.99 -0.36 0.00 0.00 175.35 178.24 3pck s THR 181 N -0.88 3.25 0.15 3.43 2.01 -1.26 0.93 115.64 123.27 3pck s THR 181 Ca 0.14 0.63 0.01 0.00 0.31 0.00 0.00 61.69 62.78 3pck s THR 181 Cb -0.11 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 3pck s THR 181 CO 0.03 -0.01 -0.00 0.00 -0.69 0.00 0.00 174.62 173.95 3pck s ALA 182 N 2.83 1.20 -0.04 7.40 0.00 -0.60 -1.84 121.76 130.71 3pck s ALA 182 Ca 0.72 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 3pck s ALA 182 Cb -0.37 0.52 0.03 0.00 0.00 0.00 0.00 23.12 23.30 3pck s ALA 182 CO 0.31 -0.33 0.08 0.71 0.00 0.00 0.00 175.76 176.53 3pck s TYR 183 N -3.71 -0.06 -0.22 0.00 1.51 -0.59 -0.13 117.35 114.16 3pck s TYR 183 Ca 0.21 0.28 -0.10 0.00 -1.01 0.00 0.00 57.07 56.46 3pck s TYR 183 Cb 0.06 -0.17 -0.05 0.00 -0.11 0.00 0.00 41.96 41.70 3pck s TYR 183 CO 0.02 -0.12 0.13 0.50 -1.11 0.00 0.00 175.55 174.96 3pck s ARG 184 N 1.10 4.04 -0.26 -0.62 3.52 -0.37 -1.91 118.95 124.45 3pck s ARG 184 Ca -0.09 -0.29 -0.03 0.00 -0.13 0.00 0.00 55.73 55.19 3pck s ARG 184 Cb -0.12 -3.43 0.09 0.00 -1.56 0.00 0.00 34.95 29.92 3pck s ARG 184 CO -0.04 0.13 0.09 0.12 -0.81 0.00 0.00 175.30 174.80 3pck s PHE 185 N 0.81 0.95 0.04 5.12 5.36 -0.21 -1.56 117.98 128.49 3pck s PHE 185 Ca 0.07 -1.12 -0.10 0.00 -0.96 0.00 0.00 56.93 54.81 3pck s PHE 185 Cb -0.13 -1.19 -0.06 0.00 -0.34 0.00 0.00 43.02 41.31 3pck s PHE 185 CO 0.02 -0.77 0.37 -0.51 -1.46 0.00 0.00 175.22 172.87 3pck s ASP 186 N 1.88 6.65 -0.12 6.13 1.01 -1.26 -4.04 116.67 126.92 3pck s ASP 186 Ca 0.06 0.78 -0.01 0.00 0.71 0.00 0.00 52.55 54.09 3pck s ASP 186 Cb -0.17 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.56 3pck s ASP 186 CO -0.24 0.23 -0.08 -0.63 0.21 0.00 0.00 175.17 174.66 3pck s ILE 187 N -1.29 3.55 -0.31 0.77 1.01 0.01 -4.97 121.20 119.97 3pck s ILE 187 Ca 0.29 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.46 3pck s ILE 187 Cb -0.14 -2.50 0.08 0.00 0.01 0.00 0.00 42.46 39.91 3pck s ILE 187 CO 0.16 0.54 -0.00 -0.13 0.00 0.00 0.00 174.94 175.51 3pck s ARG 188 N -0.06 1.90 0.17 2.79 0.52 -1.26 -0.68 118.95 122.34 3pck s ARG 188 Ca -0.00 -1.62 -0.11 0.00 -0.52 0.00 0.00 55.73 53.48 3pck s ARG 188 Cb -0.13 -3.12 0.07 0.00 0.52 0.00 0.00 34.95 32.28 3pck s ARG 188 CO 0.03 -0.78 1.69 0.82 0.02 0.00 0.00 175.30 177.08 3pck h ILE 189 N 6.63 1.25 -3.56 1.52 2.04 -1.50 0.44 117.51 124.33 3pck h ILE 189 Ca -0.12 -0.86 -0.12 0.00 1.00 0.00 0.00 64.86 64.76 3pck h ILE 189 Cb 1.03 0.68 -0.19 0.00 -0.74 0.00 0.00 36.82 37.61 3pck h ILE 189 CO 0.51 0.32 -0.44 -1.58 0.00 0.00 0.00 178.15 176.97 3pck s GLN 190 N -5.36 0.61 2.37 2.37 0.74 -1.26 -4.73 119.66 114.40 3pck s GLN 190 Ca -0.13 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 54.73 3pck s GLN 190 Cb 0.13 0.25 0.00 0.00 1.10 0.00 0.00 33.01 34.49 3pck s GLN 190 CO 0.81 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.80 3pck n GLY 191 N 0.98 -0.21 3.69 2.59 0.00 -1.26 -4.14 105.19 106.84 3pck n GLY 191 Ca -0.20 -1.27 -0.52 0.00 0.00 0.00 0.00 46.02 44.03 3pck n GLY 191 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3pck n GLU 192 N 1.18 1.74 -3.30 1.61 -0.00 -1.26 -1.24 120.64 119.36 3pck n GLU 192 Ca 0.00 0.64 -0.19 0.00 -0.00 0.00 0.00 57.16 57.61 3pck n GLU 192 Cb 0.00 -2.41 0.06 0.00 -0.00 0.00 0.00 31.44 29.09 3pck n GLU 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3pck n GLY 193 N 4.26 -0.23 3.71 -1.84 0.00 -1.26 -4.93 105.19 104.89 3pck n GLY 193 Ca 0.24 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 3pck n GLY 193 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pck s GLU 194 N -5.97 4.15 0.32 1.61 2.12 -0.37 -4.65 118.70 115.91 3pck s GLU 194 Ca 0.44 2.55 -0.29 0.00 0.36 0.00 0.00 54.97 58.02 3pck s GLU 194 Cb -0.19 -3.34 -0.10 0.00 0.26 0.00 0.00 34.13 30.75 3pck s GLU 194 CO 0.54 -0.77 1.42 0.99 -0.54 0.00 0.00 175.26 176.90 3pck s THR 195 N 1.93 2.46 0.21 -1.70 2.01 0.14 -4.96 115.64 115.74 3pck s THR 195 Ca 0.77 0.43 -0.31 0.00 0.31 0.00 0.00 61.69 62.89 3pck s THR 195 Cb -0.47 -3.28 -0.10 0.00 0.01 0.00 0.00 72.50 68.67 3pck s THR 195 CO 0.34 0.09 1.49 -0.69 -0.69 0.00 0.00 174.62 175.15 3pck s VAL 196 N -0.69 2.67 -0.02 3.82 1.01 -1.26 -4.95 120.40 120.97 3pck s VAL 196 Ca 0.54 0.52 0.07 0.00 0.00 0.00 0.00 61.98 63.12 3pck s VAL 196 Cb -0.43 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 3pck s VAL 196 CO 0.52 0.07 -0.23 -0.36 0.00 0.00 0.00 175.10 175.10 3pck s PHE 197 N 0.45 2.08 0.25 5.22 0.08 -1.26 -4.67 117.98 120.12 3pck s PHE 197 Ca 0.63 -0.43 0.07 0.00 0.12 0.00 0.00 56.93 57.32 3pck s PHE 197 Cb -0.42 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 40.65 3pck s PHE 197 CO 0.39 -0.06 0.20 -0.06 -0.10 0.00 0.00 175.22 175.59 3pck s PHE 198 N -0.47 3.14 -0.08 0.36 0.08 0.15 -5.00 117.98 116.17 3pck s PHE 198 Ca 0.07 -0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.03 3pck s PHE 198 Cb -0.09 -1.42 0.02 0.00 -0.57 0.00 0.00 43.02 40.95 3pck s PHE 198 CO -0.00 0.52 -0.10 0.34 -0.10 0.00 0.00 175.22 175.88 3pck s ASP 199 N -3.81 1.78 0.00 1.36 2.15 -1.26 -4.29 116.67 112.60 3pck s ASP 199 Ca 0.33 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.03 3pck s ASP 199 Cb -0.08 -0.78 0.00 0.00 -0.30 0.00 0.00 42.92 41.76 3pck s ASP 199 CO 0.25 -0.02 0.00 2.22 -0.17 0.00 0.00 175.17 177.45