#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 4.20 -0.07 4.25 -1.09 -1.26 -5.06 121.20 122.18 3pck s ILE 2 Ca 0.00 1.91 0.02 0.00 -2.23 0.00 0.00 60.65 60.35 3pck s ILE 2 Cb 0.00 -4.23 0.02 0.00 -1.58 0.00 0.00 42.46 36.66 3pck s ILE 2 CO 0.00 0.50 -0.10 -1.61 -1.23 0.00 0.00 174.94 172.49 3pck s GLU 3 N -1.20 1.54 0.39 2.79 0.41 -1.26 -5.15 118.70 116.22 3pck s GLU 3 Ca 0.39 -0.35 -0.01 0.00 -0.41 0.00 0.00 54.97 54.60 3pck s GLU 3 Cb -0.24 -1.33 0.08 0.00 -1.78 0.00 0.00 34.13 30.85 3pck s GLU 3 CO 0.29 -0.02 0.53 1.28 -0.49 0.00 0.00 175.26 176.85 3pck n LEU 4 N 3.96 0.00 -4.77 1.80 4.32 -1.26 -5.04 117.00 116.01 3pck n LEU 4 Ca -0.22 -1.08 -0.39 0.00 -0.02 0.00 0.00 56.01 54.30 3pck n LEU 4 Cb 0.51 -0.35 -0.03 0.00 -1.62 0.00 0.00 43.42 41.94 3pck n LEU 4 CO 0.24 -0.77 0.85 -0.76 -1.22 0.00 0.00 177.39 175.73 3pck s LEU 5 N 0.00 4.32 0.43 2.23 1.43 -1.26 -4.98 118.68 120.85 3pck s LEU 5 Ca 0.35 2.38 -0.22 0.00 -1.03 0.00 0.00 54.13 55.61 3pck s LEU 5 Cb -0.02 -3.87 -0.09 0.00 0.03 0.00 0.00 46.19 42.24 3pck s LEU 5 CO 0.23 -0.51 1.01 -2.16 0.23 0.00 0.00 176.35 175.15 3pck s PRO 6 N -2.01 4.10 0.42 1.29 0.05 -1.26 -5.02 135.00 132.57 3pck s PRO 6 Ca 0.53 1.34 -0.24 0.00 0.05 0.00 0.00 61.00 62.68 3pck s PRO 6 Cb -0.32 -2.33 -0.08 0.00 0.05 0.00 0.00 34.50 31.82 3pck s PRO 6 CO 0.41 -0.17 1.11 -2.00 0.05 0.00 0.00 177.00 176.40 3pck s GLU 7 N -2.87 4.01 0.23 4.56 2.12 -1.26 -4.95 118.70 120.54 3pck s GLU 7 Ca 0.61 1.65 -0.31 0.00 0.36 0.00 0.00 54.97 57.28 3pck s GLU 7 Cb -0.16 -2.52 -0.12 0.00 0.26 0.00 0.00 34.13 31.59 3pck s GLU 7 CO 0.21 -0.31 1.69 2.41 -0.54 0.00 0.00 175.26 178.72 3pck n THR 8 N -0.19 0.31 -2.24 -1.70 -1.04 -1.26 -4.92 114.28 103.23 3pck n THR 8 Ca 0.06 -0.08 -0.40 0.00 -2.04 0.00 0.00 64.05 61.59 3pck n THR 8 Cb 0.49 -1.97 -0.02 0.00 -1.82 0.00 0.00 70.33 67.00 3pck n THR 8 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3pck s PRO 9 N 0.66 4.30 0.65 -2.82 0.02 -1.26 -5.03 135.00 131.53 3pck s PRO 9 Ca 0.72 2.01 -0.12 0.00 0.02 0.00 0.00 61.00 63.62 3pck s PRO 9 Cb -0.50 -2.96 -0.01 0.00 0.02 0.00 0.00 34.50 31.04 3pck s PRO 9 CO 0.37 -0.16 1.05 0.45 -0.33 0.00 0.00 177.00 178.38 3pck s SER 10 N -0.78 5.68 0.04 2.53 0.15 -1.26 -5.09 113.70 114.96 3pck s SER 10 Ca 0.51 1.63 -0.03 0.00 0.70 0.00 0.00 55.95 58.75 3pck s SER 10 Cb -0.35 -2.50 -0.02 0.00 -1.71 0.00 0.00 66.02 61.44 3pck s SER 10 CO 0.46 -1.24 0.03 -1.10 1.20 0.00 0.00 173.24 172.59 3pck s GLN 11 N -4.79 0.55 0.75 5.44 -1.52 -1.20 -4.89 119.66 114.00 3pck s GLN 11 Ca 0.59 -0.88 -0.15 0.00 -1.95 0.00 0.00 55.36 52.96 3pck s GLN 11 Cb -0.14 0.20 0.02 0.00 -0.22 0.00 0.00 33.01 32.88 3pck s GLN 11 CO 0.49 -0.12 0.95 -2.37 -0.25 0.00 0.00 175.29 173.99 3pck n THR 12 N 0.69 2.45 0.14 -0.19 5.66 -1.21 -4.80 114.28 117.03 3pck n THR 12 Ca -0.18 -0.33 0.01 0.00 -3.05 0.00 0.00 64.05 60.49 3pck n THR 12 Cb 0.59 -1.07 0.17 0.00 -1.55 0.00 0.00 70.33 68.47 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 -0.44 0.85 0.00 1.79 0.00 -1.74 -3.49 119.26 116.22 3pck h ALA 13 Ca -0.47 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 53.92 3pck h ALA 13 Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3pck h ALA 13 CO 0.46 0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.83 3pck n GLY 14 N 0.54 -1.31 0.21 0.00 0.00 -1.26 -4.28 105.19 99.08 3pck n GLY 14 Ca -0.00 -1.59 0.15 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 0.00 -0.33 1.61 0.13 -1.93 -3.19 132.00 128.29 3pck h PRO 15 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 3pck h PRO 15 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3pck h PRO 15 CO 0.00 0.00 0.01 0.66 -0.23 0.00 0.00 178.00 178.44 3pck n TYR 16 N -2.61 1.17 -0.20 1.56 4.01 -1.26 -4.65 117.16 115.17 3pck n TYR 16 Ca 0.00 -0.95 0.24 0.00 -0.16 0.00 0.00 57.90 57.03 3pck n TYR 16 Cb 0.19 -0.37 0.62 0.00 -0.31 0.00 0.00 39.34 39.47 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 2.00 0.61 -0.93 -0.72 3.04 -1.73 -1.82 116.25 116.70 3pck h VAL 17 Ca 0.04 -0.07 0.09 0.00 -1.01 0.00 0.00 66.70 65.75 3pck h VAL 17 Cb 1.58 0.40 -0.07 0.00 -2.01 0.00 0.00 31.29 31.19 3pck h VAL 17 CO 0.30 0.04 0.60 0.45 -1.01 0.00 0.00 177.57 177.94 3pck h HIS 18 N 0.19 1.04 -0.15 3.17 3.86 -1.85 0.24 115.15 121.65 3pck h HIS 18 Ca 0.44 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.67 3pck h HIS 18 Cb 1.43 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 3pck h HIS 18 CO -0.00 0.48 0.04 -0.84 0.86 0.00 0.00 177.93 178.47 3pck h ILE 19 N 0.97 1.07 0.10 2.45 3.07 -1.56 0.83 117.51 124.44 3pck h ILE 19 Ca 0.43 -0.25 -0.35 0.00 1.55 0.00 0.00 64.86 66.24 3pck h ILE 19 Cb 0.37 0.92 -0.02 0.00 -0.27 0.00 0.00 36.82 37.82 3pck h ILE 19 CO -0.19 0.09 -1.92 0.61 -1.05 0.00 0.00 178.15 175.69 3pck n GLY 20 N -1.36 -0.59 0.16 0.16 0.00 -0.58 -4.61 105.19 98.37 3pck n GLY 20 Ca -0.01 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.61 1.11 -2.88 0.99 4.77 0.74 -4.82 117.00 113.30 3pck n LEU 21 Ca -0.33 -0.86 -0.12 0.00 -0.03 0.00 0.00 56.01 54.67 3pck n LEU 21 Cb 1.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.12 3pck n LEU 21 CO 0.39 0.24 0.12 0.00 -1.33 0.00 0.00 177.39 176.80 3pck n ALA 22 N -0.10 -0.01 -0.39 -1.18 0.00 0.22 -4.98 120.51 114.08 3pck n ALA 22 Ca 0.03 -2.06 -0.03 0.00 0.00 0.00 0.00 53.44 51.37 3pck n ALA 22 Cb 0.12 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 18.46 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 3.35 -1.59 -0.45 0.00 4.07 -1.63 -1.66 115.31 117.39 3pck h LEU 23 Ca -0.05 0.31 0.06 0.00 0.08 0.00 0.00 57.88 58.28 3pck h LEU 23 Cb 1.03 0.80 -0.09 0.00 1.08 0.00 0.00 40.66 43.48 3pck h LEU 23 CO 0.29 -0.28 -0.52 1.05 -1.08 0.00 0.00 178.44 177.90 3pck h GLU 24 N -0.00 -0.34 -0.69 1.13 -0.00 -1.86 -1.15 114.58 111.67 3pck h GLU 24 Ca 0.30 0.02 0.11 0.00 -0.00 0.00 0.00 59.36 59.79 3pck h GLU 24 Cb 0.56 0.08 -0.04 0.00 -0.00 0.00 0.00 28.75 29.34 3pck h GLU 24 CO -0.97 -0.23 0.46 0.00 -0.00 0.00 0.00 179.01 178.27 3pck h ALA 25 N 0.15 1.95 0.00 1.06 0.00 -1.65 0.57 119.26 121.34 3pck h ALA 25 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3pck h ALA 25 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3pck h ALA 25 CO -0.62 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 178.53 3pck h ALA 26 N 1.66 1.00 -1.47 0.00 0.00 -0.77 -3.45 119.26 116.22 3pck h ALA 26 Ca 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3pck h ALA 26 Cb 0.57 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.37 3pck h ALA 26 CO -0.10 0.00 -0.05 0.41 0.00 0.00 0.00 179.25 179.51 3pck n GLY 27 N -0.59 0.78 3.29 0.00 0.00 0.20 -4.96 105.19 103.92 3pck n GLY 27 Ca -0.01 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.03 2.26 0.41 1.61 0.01 -1.02 -5.05 114.94 110.13 3pck s ASN 28 Ca 0.03 -0.93 -0.26 0.00 -0.71 0.00 0.00 52.86 50.99 3pck s ASN 28 Cb -0.01 -0.09 -0.10 0.00 0.41 0.00 0.00 41.25 41.45 3pck s ASN 28 CO 0.05 -0.17 1.38 -2.65 -1.51 0.00 0.00 177.10 174.20 3pck n PRO 29 N 0.02 2.26 -3.31 -0.60 -0.02 -1.26 -3.89 135.00 128.20 3pck n PRO 29 Ca -0.11 0.80 -0.19 0.00 -2.02 0.00 0.00 63.50 61.98 3pck n PRO 29 Cb 0.59 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3pck n PRO 29 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3pck s THR 30 N -1.16 3.75 0.67 3.45 -4.23 -1.26 -4.87 115.64 111.99 3pck s THR 30 Ca 0.58 -0.98 -0.01 0.00 -1.18 0.00 0.00 61.69 60.10 3pck s THR 30 Cb -0.49 -3.29 0.09 0.00 1.34 0.00 0.00 72.50 70.15 3pck s THR 30 CO 0.60 -0.12 0.94 -0.13 -0.54 0.00 0.00 174.62 175.37 3pck s ARG 31 N -4.25 1.97 0.23 3.99 0.52 -1.26 -5.00 118.95 115.16 3pck s ARG 31 Ca 0.48 -0.91 -0.06 0.00 -0.52 0.00 0.00 55.73 54.72 3pck s ARG 31 Cb -0.10 -2.35 0.34 0.00 0.52 0.00 0.00 34.95 33.36 3pck s ARG 31 CO 0.32 -1.23 1.81 -0.44 0.02 0.00 0.00 175.30 175.78 3pck h ASP 32 N -0.38 0.65 -3.36 0.23 3.32 -2.07 -3.40 116.42 111.41 3pck h ASP 32 Ca -0.39 0.04 -0.61 0.00 0.02 0.00 0.00 57.03 56.09 3pck h ASP 32 Cb 1.28 -0.09 -0.37 0.00 0.22 0.00 0.00 39.33 40.38 3pck h ASP 32 CO 0.46 0.39 -0.81 -1.10 -1.72 0.00 0.00 179.24 176.45 3pck s GLN 33 N -6.06 2.04 0.09 3.56 -0.21 -1.26 -5.12 119.66 112.71 3pck s GLN 33 Ca -0.13 -0.77 0.09 0.00 0.02 0.00 0.00 55.36 54.58 3pck s GLN 33 Cb 0.18 -2.33 -0.03 0.00 1.00 0.00 0.00 33.01 31.83 3pck s GLN 33 CO 0.78 -0.39 -0.24 -1.21 -2.12 0.00 0.00 175.29 172.11 3pck s GLU 34 N 1.43 1.40 -0.46 2.91 0.41 -1.26 -5.11 118.70 118.02 3pck s GLU 34 Ca 0.00 -1.16 -0.21 0.00 -0.41 0.00 0.00 54.97 53.19 3pck s GLU 34 Cb -0.15 -1.68 0.03 0.00 -1.78 0.00 0.00 34.13 30.55 3pck s GLU 34 CO -0.09 0.41 0.68 0.42 -0.49 0.00 0.00 175.26 176.19 3pck s ILE 35 N -0.98 4.78 0.00 -1.63 1.01 -1.26 -5.03 121.20 118.09 3pck s ILE 35 Ca 0.10 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.83 3pck s ILE 35 Cb -0.10 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.12 3pck s ILE 35 CO 0.04 -0.68 0.00 1.87 0.00 0.00 0.00 174.94 176.17 3pck n TRP 36 N 6.39 0.00 0.34 3.97 -0.00 -1.26 -4.61 117.44 122.27 3pck n TRP 36 Ca -0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.53 3pck n TRP 36 Cb 0.48 0.00 0.19 0.00 -0.00 0.00 0.00 31.31 31.97 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 2.86 -4.00 5.87 6.94 -0.40 -1.78 115.26 124.74 3pck n ASN 37 Ca 0.00 -2.29 -0.32 0.00 -0.02 0.00 0.00 54.58 51.95 3pck n ASN 37 Cb 0.00 -0.46 -0.11 0.00 -2.36 0.00 0.00 39.78 36.84 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 -1.74 2.40 0.23 -3.83 3.52 -1.26 -0.26 118.95 118.02 3pck s ARG 38 Ca 0.26 -2.82 0.04 0.00 -0.13 0.00 0.00 55.73 53.08 3pck s ARG 38 Cb 0.18 -3.54 0.25 0.00 -1.56 0.00 0.00 34.95 30.28 3pck s ARG 38 CO 0.11 -1.18 1.56 -0.07 -0.81 0.00 0.00 175.30 174.92 3pck h LEU 39 N 6.38 0.32 -8.57 -0.88 4.07 -0.87 -3.45 115.31 112.31 3pck h LEU 39 Ca 0.01 -0.18 -0.65 0.00 0.08 0.00 0.00 57.88 57.15 3pck h LEU 39 Cb 0.87 -0.09 -0.28 0.00 1.08 0.00 0.00 40.66 42.24 3pck h LEU 39 CO 0.72 0.83 -0.87 0.00 -1.08 0.00 0.00 178.44 178.04 3pck s ALA 40 N -3.82 1.97 0.43 1.53 0.00 -1.19 -0.12 121.76 120.55 3pck s ALA 40 Ca -0.04 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 50.74 3pck s ALA 40 Cb 0.12 -0.46 -0.06 0.00 0.00 0.00 0.00 23.12 22.71 3pck s ALA 40 CO 0.80 0.47 0.81 0.15 0.00 0.00 0.00 175.76 177.99 3pck s LYS 41 N -0.79 3.79 0.41 0.00 1.02 0.34 -4.82 119.74 119.70 3pck s LYS 41 Ca 0.09 0.54 0.24 0.00 0.02 0.00 0.00 55.97 56.86 3pck s LYS 41 Cb -0.09 -2.35 1.28 0.00 -0.52 0.00 0.00 37.83 36.15 3pck s LYS 41 CO 0.00 -0.08 1.67 -1.35 -0.92 0.00 0.00 175.35 174.67 3pck h PRO 42 N 1.15 0.20 -0.73 -1.68 0.11 -2.00 0.29 132.00 129.34 3pck h PRO 42 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3pck h PRO 42 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3pck h PRO 42 CO 0.63 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 3pck n ASP 43 N -4.75 1.85 -4.76 -2.05 5.75 -1.26 -4.88 116.55 106.45 3pck n ASP 43 Ca 0.33 -2.17 -0.39 0.00 -0.01 0.00 0.00 54.79 52.55 3pck n ASP 43 Cb 1.20 -0.44 -0.06 0.00 -1.03 0.00 0.00 41.12 40.79 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 -1.50 3.49 0.47 2.12 0.00 0.10 -5.03 121.76 121.41 3pck s ALA 44 Ca 0.13 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 51.84 3pck s ALA 44 Cb 0.09 -2.72 -0.07 0.00 0.00 0.00 0.00 23.12 20.42 3pck s ALA 44 CO 0.05 0.16 1.36 -1.25 0.00 0.00 0.00 175.76 176.07 3pck s PRO 45 N -0.12 3.57 0.00 0.00 0.04 -1.26 -4.87 135.00 132.37 3pck s PRO 45 Ca 0.30 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.59 3pck s PRO 45 Cb -0.18 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.84 3pck s PRO 45 CO 0.16 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.76 3pck n GLY 46 N 0.63 1.21 3.57 0.56 0.00 -1.26 -4.59 105.19 105.32 3pck n GLY 46 Ca 0.07 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 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 -1.31 3.55 -0.01 1.61 2.12 -1.26 -4.93 118.70 118.47 3pck s GLU 47 Ca 0.00 0.22 -0.30 0.00 0.36 0.00 0.00 54.97 55.25 3pck s GLU 47 Cb 0.00 -3.95 -0.06 0.00 0.26 0.00 0.00 34.13 30.38 3pck s GLU 47 CO 0.00 -1.36 1.50 -1.01 -0.54 0.00 0.00 175.26 173.85 3pck s HIS 48 N 4.11 2.58 0.11 5.30 3.76 -1.26 -0.93 115.29 128.95 3pck s HIS 48 Ca 0.40 0.59 0.01 0.00 -0.15 0.00 0.00 55.06 55.91 3pck s HIS 48 Cb -0.09 -3.77 -0.04 0.00 1.11 0.00 0.00 32.58 29.78 3pck s HIS 48 CO 0.27 -3.00 -0.03 0.96 -0.85 0.00 0.00 174.74 172.08 3pck s ILE 49 N 2.86 0.55 -0.11 0.60 -4.36 0.16 -4.59 121.20 116.30 3pck s ILE 49 Ca 0.67 -1.92 0.02 0.00 -0.26 0.00 0.00 60.65 59.16 3pck s ILE 49 Cb -0.33 -1.77 -0.01 0.00 1.25 0.00 0.00 42.46 41.60 3pck s ILE 49 CO 0.28 -0.78 -0.17 -0.22 0.24 0.00 0.00 174.94 174.28 3pck s LEU 50 N -3.05 2.48 -0.04 0.37 2.96 -0.46 -1.69 118.68 119.25 3pck s LEU 50 Ca 0.14 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 3pck s LEU 50 Cb 0.06 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 3pck s LEU 50 CO -0.03 0.18 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.33 3pck s LEU 51 N 0.26 3.06 0.07 -0.68 1.43 -0.38 -0.74 118.68 121.72 3pck s LEU 51 Ca -0.12 -0.10 -0.14 0.00 -1.03 0.00 0.00 54.13 52.74 3pck s LEU 51 Cb -0.16 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.39 3pck s LEU 51 CO 0.06 0.34 0.32 -1.48 0.23 0.00 0.00 176.35 175.82 3pck s LEU 52 N -0.97 0.79 0.00 1.79 -0.00 -0.58 -1.25 118.68 118.46 3pck s LEU 52 Ca 0.13 -0.29 0.00 0.00 -0.00 0.00 0.00 54.13 53.97 3pck s LEU 52 Cb -0.11 1.48 0.00 0.00 -0.00 0.00 0.00 46.19 47.56 3pck s LEU 52 CO 0.03 -0.71 0.00 0.61 -0.00 0.00 0.00 176.35 176.28 3pck n GLY 53 N 0.22 0.36 3.34 -3.48 0.00 -1.13 0.98 105.19 105.48 3pck n GLY 53 Ca -0.17 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 3pck n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3pck s GLN 54 N -2.00 1.30 -0.13 1.61 -0.21 -1.25 -1.49 119.66 117.50 3pck s GLN 54 Ca 0.00 -1.42 0.01 0.00 0.02 0.00 0.00 55.36 53.97 3pck s GLN 54 Cb 0.00 -1.39 -0.01 0.00 1.00 0.00 0.00 33.01 32.61 3pck s GLN 54 CO 0.00 0.28 -0.15 0.08 -2.12 0.00 0.00 175.29 173.38 3pck s VAL 55 N -2.01 2.83 0.04 1.09 1.01 -1.26 -0.88 120.40 121.22 3pck s VAL 55 Ca 0.16 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.49 3pck s VAL 55 Cb -0.06 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3pck s VAL 55 CO 0.07 0.53 -0.26 -0.31 0.00 0.00 0.00 175.10 175.13 3pck s TYR 56 N 0.37 2.28 0.73 5.22 1.51 -0.05 -1.06 117.35 126.35 3pck s TYR 56 Ca -0.12 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.53 3pck s TYR 56 Cb -0.16 -1.37 0.14 0.00 -0.11 0.00 0.00 41.96 40.46 3pck s TYR 56 CO 0.06 0.11 1.00 0.16 -1.11 0.00 0.00 175.55 175.78 3pck s ASP 57 N -1.20 4.28 0.29 2.29 1.47 -0.12 -0.77 116.67 122.90 3pck s ASP 57 Ca 0.11 -0.50 0.22 0.00 1.18 0.00 0.00 52.55 53.56 3pck s ASP 57 Cb -0.10 0.19 1.09 0.00 -0.34 0.00 0.00 42.92 43.76 3pck s ASP 57 CO 0.02 -1.92 1.66 0.61 0.68 0.00 0.00 175.17 176.21 3pck n GLY 58 N -2.84 -0.98 0.02 2.12 0.00 -1.25 -1.44 105.19 100.82 3pck n GLY 58 Ca 0.16 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.46 3pck n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pck n ASN 59 N -2.23 0.64 0.00 1.61 3.02 -1.26 -4.74 115.26 112.29 3pck n ASN 59 Ca -0.00 -0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 3pck n ASN 59 Cb 0.09 0.61 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 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 1.41 0.87 3.87 7.41 0.00 -0.52 -5.06 105.19 113.18 3pck n GLY 60 Ca 0.03 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 3.60 0.38 1.61 3.76 -1.26 -4.79 115.29 116.60 3pck s HIS 61 Ca 0.00 0.70 -0.28 0.00 -0.15 0.00 0.00 55.06 55.33 3pck s HIS 61 Cb 0.00 -2.09 -0.10 0.00 1.11 0.00 0.00 32.58 31.50 3pck s HIS 61 CO 0.00 0.59 1.45 -0.51 -0.85 0.00 0.00 174.74 175.42 3pck s LEU 62 N -1.69 4.30 -0.56 0.89 1.43 -1.26 -0.95 118.68 120.83 3pck s LEU 62 Ca 0.28 2.98 -0.10 0.00 -1.03 0.00 0.00 54.13 56.27 3pck s LEU 62 Cb -0.14 -3.71 0.14 0.00 0.03 0.00 0.00 46.19 42.51 3pck s LEU 62 CO 0.16 -0.88 0.44 -0.69 0.23 0.00 0.00 176.35 175.61 3pck s VAL 63 N -1.14 4.47 -2.06 -1.59 1.01 -0.22 -4.86 120.40 116.00 3pck s VAL 63 Ca 0.54 -2.04 0.16 0.00 0.00 0.00 0.00 61.98 60.65 3pck s VAL 63 Cb -0.45 -3.90 0.44 0.00 0.00 0.00 0.00 36.38 32.47 3pck s VAL 63 CO 0.61 -0.84 1.56 0.54 0.00 0.00 0.00 175.10 176.97 3pck n ARG 64 N 4.59 1.21 -0.27 2.72 1.74 -1.26 -3.91 116.66 121.48 3pck n ARG 64 Ca -0.03 -0.31 0.07 0.00 -0.77 0.00 0.00 57.85 56.81 3pck n ARG 64 Cb 0.41 -1.28 0.11 0.00 -1.02 0.00 0.00 32.46 30.68 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 -0.43 1.69 -4.80 0.55 5.68 -1.26 -3.98 116.55 113.99 3pck n ASP 65 Ca 0.13 -2.87 -0.33 0.00 -0.50 0.00 0.00 54.79 51.22 3pck n ASP 65 Cb 0.13 -0.38 0.01 0.00 -1.14 0.00 0.00 41.12 39.74 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 -2.44 5.75 -0.04 -1.12 1.04 -1.25 -4.63 113.70 111.00 3pck s SER 66 Ca 0.25 1.80 0.02 0.00 0.48 0.00 0.00 55.95 58.51 3pck s SER 66 Cb 0.23 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.82 3pck s SER 66 CO 0.01 -1.19 -0.10 0.12 0.98 0.00 0.00 173.24 173.06 3pck s PHE 67 N -2.50 1.14 0.06 5.02 5.36 0.66 -2.69 117.98 125.03 3pck s PHE 67 Ca 0.63 -0.34 0.06 0.00 -0.96 0.00 0.00 56.93 56.32 3pck s PHE 67 Cb -0.16 -0.83 -0.03 0.00 -0.34 0.00 0.00 43.02 41.66 3pck s PHE 67 CO 0.38 -0.17 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.30 3pck s LEU 68 N 0.42 2.24 -0.04 6.12 1.02 -0.26 -0.56 118.68 127.62 3pck s LEU 68 Ca -0.08 -0.57 0.03 0.00 0.02 0.00 0.00 54.13 53.54 3pck s LEU 68 Cb -0.12 -0.67 0.00 0.00 0.02 0.00 0.00 46.19 45.42 3pck s LEU 68 CO 0.02 0.01 -0.14 -1.61 0.02 0.00 0.00 176.35 174.65 3pck s GLU 69 N -1.52 1.49 0.04 1.70 2.02 -0.78 -1.46 118.70 120.19 3pck s GLU 69 Ca 0.02 -0.48 0.07 0.00 0.02 0.00 0.00 54.97 54.60 3pck s GLU 69 Cb -0.09 -1.31 -0.02 0.00 0.10 0.00 0.00 34.13 32.80 3pck s GLU 69 CO 0.02 0.17 -0.19 0.14 0.02 0.00 0.00 175.26 175.42 3pck s VAL 70 N 0.17 1.54 -0.03 2.63 -7.23 -0.81 -1.42 120.40 115.24 3pck s VAL 70 Ca -0.05 -1.13 -0.01 0.00 -1.81 0.00 0.00 61.98 58.98 3pck s VAL 70 Cb -0.11 -1.34 0.03 0.00 0.56 0.00 0.00 36.38 35.52 3pck s VAL 70 CO 0.02 0.18 0.05 0.86 -0.31 0.00 0.00 175.10 175.89 3pck s TRP 71 N -0.79 0.06 0.05 2.82 -0.11 -0.00 -2.47 118.94 118.50 3pck s TRP 71 Ca 0.06 0.20 -0.14 0.00 1.22 0.00 0.00 56.10 57.44 3pck s TRP 71 Cb -0.08 -0.39 0.02 0.00 -1.50 0.00 0.00 33.47 31.51 3pck s TRP 71 CO 0.02 -0.15 0.31 1.14 -4.62 0.00 0.00 176.95 173.64 3pck s GLN 72 N 1.74 0.82 0.68 5.86 -2.07 -0.17 -0.85 119.66 125.67 3pck s GLN 72 Ca -0.00 -0.50 -0.11 0.00 -1.82 0.00 0.00 55.36 52.92 3pck s GLN 72 Cb -0.12 0.36 -0.00 0.00 -1.09 0.00 0.00 33.01 32.15 3pck s GLN 72 CO -0.03 -0.27 1.06 0.00 -1.32 0.00 0.00 175.29 174.73 3pck s ALA 73 N -2.59 2.81 1.03 2.60 0.00 -1.26 -4.46 121.76 119.89 3pck s ALA 73 Ca -0.05 -0.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 3pck s ALA 73 Cb -0.01 -3.12 0.11 0.00 0.00 0.00 0.00 23.12 20.10 3pck s ALA 73 CO -0.04 -1.07 0.58 -0.40 0.00 0.00 0.00 175.76 174.83 3pck n ASP 74 N -3.01 -0.33 0.25 0.00 5.68 0.24 -4.31 116.55 115.06 3pck n ASP 74 Ca 0.07 -1.12 0.07 0.00 -0.50 0.00 0.00 54.79 53.32 3pck n ASP 74 Cb 0.54 -0.46 0.61 0.00 -1.14 0.00 0.00 41.12 40.68 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 -2.01 1.95 -0.03 2.12 0.00 -1.81 0.20 119.26 119.68 3pck h ALA 75 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3pck h ALA 75 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3pck h ALA 75 CO 0.13 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.51 3pck n ASN 76 N -4.51 0.55 -1.14 0.00 3.02 -1.26 -3.47 115.26 108.45 3pck n ASN 76 Ca -0.03 -1.32 -0.06 0.00 -0.03 0.00 0.00 54.58 53.14 3pck n ASN 76 Cb 0.11 -0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.28 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 1.00 0.48 3.23 7.41 0.00 -0.47 -4.78 105.19 112.05 3pck n GLY 77 Ca 0.19 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -5.10 2.59 -0.20 1.61 2.12 -1.25 -4.71 118.70 113.76 3pck s GLU 78 Ca 0.12 -0.84 -0.22 0.00 0.36 0.00 0.00 54.97 54.38 3pck s GLU 78 Cb -0.05 -2.11 -0.02 0.00 0.26 0.00 0.00 34.13 32.21 3pck s GLU 78 CO 0.15 0.28 0.69 0.71 -0.54 0.00 0.00 175.26 176.55 3pck s TYR 79 N 0.06 3.36 -0.55 5.30 2.02 -1.26 0.80 117.35 127.08 3pck s TYR 79 Ca -0.09 1.00 -0.06 0.00 -0.37 0.00 0.00 57.07 57.54 3pck s TYR 79 Cb -0.15 -2.87 0.14 0.00 -0.40 0.00 0.00 41.96 38.68 3pck s TYR 79 CO 0.05 -0.23 0.39 -0.65 -1.57 0.00 0.00 175.55 173.54 3pck s GLN 80 N 2.14 2.52 0.27 -0.62 -1.52 -1.26 -4.94 119.66 116.25 3pck s GLN 80 Ca 0.31 -2.11 0.18 0.00 -1.95 0.00 0.00 55.36 51.78 3pck s GLN 80 Cb -0.16 -3.84 0.09 0.00 -0.22 0.00 0.00 33.01 28.88 3pck s GLN 80 CO 0.10 -1.17 1.35 0.38 -0.25 0.00 0.00 175.29 175.70 3pck h ASP 81 N 7.81 0.00 -0.79 5.90 2.03 -1.98 -3.30 116.42 126.09 3pck h ASP 81 Ca -0.09 0.00 -0.47 0.00 -0.73 0.00 0.00 57.03 55.74 3pck h ASP 81 Cb 1.02 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.46 3pck h ASP 81 CO 0.76 0.36 1.35 0.00 -1.03 0.00 0.00 179.24 180.68 3pck s ALA 82 N -3.05 2.34 -0.01 4.15 0.00 -1.26 -4.93 121.76 119.00 3pck s ALA 82 Ca 0.03 -2.18 -0.30 0.00 0.00 0.00 0.00 51.96 49.51 3pck s ALA 82 Cb 0.07 -4.60 -0.07 0.00 0.00 0.00 0.00 23.12 18.53 3pck s ALA 82 CO 0.74 -4.26 1.70 -0.47 0.00 0.00 0.00 175.76 173.47 3pck s TYR 83 N 7.66 1.97 -0.19 0.00 6.14 -1.26 -4.99 117.35 126.67 3pck s TYR 83 Ca 0.60 0.12 -0.12 0.00 0.64 0.00 0.00 57.07 58.30 3pck s TYR 83 Cb -0.01 -3.98 0.06 0.00 0.42 0.00 0.00 41.96 38.45 3pck s TYR 83 CO 0.02 -4.12 0.47 1.21 0.64 0.00 0.00 175.55 173.77 3pck s ASN 84 N 3.29 -0.57 0.29 4.32 3.84 -1.26 -5.02 114.94 119.83 3pck s ASN 84 Ca 0.76 1.00 0.25 0.00 0.21 0.00 0.00 52.86 55.08 3pck s ASN 84 Cb -0.36 0.92 1.03 0.00 -0.55 0.00 0.00 41.25 42.29 3pck s ASN 84 CO 0.32 -0.19 1.74 -0.07 -2.79 0.00 0.00 177.10 176.11 3pck h LEU 85 N 6.56 0.00 -0.11 3.21 3.38 -1.97 -2.07 115.31 124.30 3pck h LEU 85 Ca -0.33 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 3pck h LEU 85 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3pck h LEU 85 CO 0.25 0.00 -0.37 -0.33 0.09 0.00 0.00 178.44 178.08 3pck h GLU 86 N 0.00 0.00 -7.09 1.13 5.08 -1.99 -3.46 114.58 108.25 3pck h GLU 86 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3pck h GLU 86 Cb 0.37 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.74 3pck h GLU 86 CO 0.00 0.37 0.49 -0.80 -1.00 0.00 0.00 179.01 178.07 3pck s ASN 87 N -6.38 5.17 0.21 1.42 0.01 -0.78 -4.92 114.94 109.66 3pck s ASN 87 Ca 0.04 2.44 0.09 0.00 -0.71 0.00 0.00 52.86 54.73 3pck s ASN 87 Cb 0.07 -2.60 0.09 0.00 0.41 0.00 0.00 41.25 39.22 3pck s ASN 87 CO 0.72 -1.61 1.45 0.00 -1.51 0.00 0.00 177.10 176.15 3pck h ALA 88 N 0.94 0.67 -3.48 0.60 0.00 -1.89 -3.44 119.26 112.66 3pck h ALA 88 Ca -0.51 -0.71 -0.23 0.00 0.00 0.00 0.00 54.91 53.46 3pck h ALA 88 Cb 1.30 -0.12 -0.29 0.00 0.00 0.00 0.00 17.79 18.67 3pck h ALA 88 CO 0.55 0.98 -0.64 0.12 0.00 0.00 0.00 179.25 180.26 3pck s PHE 89 N -3.15 -0.08 -0.06 0.00 5.36 -1.26 0.13 117.98 118.91 3pck s PHE 89 Ca 0.00 0.25 0.04 0.00 -0.96 0.00 0.00 56.93 56.26 3pck s PHE 89 Cb 0.11 -0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.75 3pck s PHE 89 CO 0.79 -0.07 -0.18 -0.80 -1.46 0.00 0.00 175.22 173.49 3pck s ASN 90 N 0.44 2.32 0.50 6.13 0.01 0.82 -4.96 114.94 120.20 3pck s ASN 90 Ca -0.03 -0.39 0.31 0.00 -0.71 0.00 0.00 52.86 52.03 3pck s ASN 90 Cb -0.05 -0.83 1.16 0.00 0.41 0.00 0.00 41.25 41.95 3pck s ASN 90 CO -0.02 0.13 1.90 0.28 -1.51 0.00 0.00 177.10 177.88 3pck h SER 91 N 6.50 0.00 -4.04 -1.22 0.02 -1.78 -3.43 113.55 109.59 3pck h SER 91 Ca -0.30 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 59.97 3pck h SER 91 Cb 1.19 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.50 3pck h SER 91 CO 0.47 0.00 -0.83 0.12 -1.14 0.00 0.00 176.83 175.46 3pck s PHE 92 N -3.55 2.49 0.34 3.45 5.36 -1.26 -1.00 117.98 123.80 3pck s PHE 92 Ca 0.03 -0.30 -0.15 0.00 -0.96 0.00 0.00 56.93 55.55 3pck s PHE 92 Cb 0.08 -1.43 0.03 0.00 -0.34 0.00 0.00 43.02 41.37 3pck s PHE 92 CO 0.55 0.23 0.71 0.20 -1.46 0.00 0.00 175.22 175.44 3pck s GLY 93 N -1.44 0.41 0.03 13.12 0.00 -1.03 -4.83 107.32 113.58 3pck s GLY 93 Ca 0.14 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.12 3pck s GLY 93 CO 0.05 -0.37 -0.04 0.50 0.00 0.00 0.00 173.10 173.24 3pck s ARG 94 N -2.96 0.41 0.27 2.90 0.52 -0.74 -1.92 118.95 117.44 3pck s ARG 94 Ca 0.17 -0.75 -0.17 0.00 -0.52 0.00 0.00 55.73 54.45 3pck s ARG 94 Cb -0.04 0.04 0.01 0.00 0.52 0.00 0.00 34.95 35.47 3pck s ARG 94 CO 0.11 -0.04 0.61 -0.08 0.02 0.00 0.00 175.30 175.93 3pck s THR 95 N -1.89 0.00 0.10 0.02 -1.32 -0.54 -1.27 115.64 110.74 3pck s THR 95 Ca -0.10 -1.19 -0.16 0.00 -1.21 0.00 0.00 61.69 59.02 3pck s THR 95 Cb -0.07 -2.13 0.03 0.00 -1.51 0.00 0.00 72.50 68.82 3pck s THR 95 CO -0.02 0.00 0.40 0.00 -2.21 0.00 0.00 174.62 172.78 3pck s ALA 96 N -3.88 -0.93 0.05 11.08 0.00 -1.26 -1.10 121.76 125.73 3pck s ALA 96 Ca 0.16 0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.96 3pck s ALA 96 Cb -0.04 0.58 -0.06 0.00 0.00 0.00 0.00 23.12 23.60 3pck s ALA 96 CO 0.08 -0.58 0.59 0.95 0.00 0.00 0.00 175.76 176.80 3pck s THR 97 N -3.42 4.77 0.35 0.00 -4.23 -1.09 -4.21 115.64 107.81 3pck s THR 97 Ca 0.01 1.26 -0.28 0.00 -1.18 0.00 0.00 61.69 61.49 3pck s THR 97 Cb 0.01 -3.92 -0.11 0.00 1.34 0.00 0.00 72.50 69.82 3pck s THR 97 CO -0.09 0.51 1.39 0.42 -0.54 0.00 0.00 174.62 176.30 3pck s THR 98 N -0.80 2.42 -0.36 3.99 -4.23 -1.19 -4.56 115.64 110.92 3pck s THR 98 Ca 0.30 0.42 0.23 0.00 -1.18 0.00 0.00 61.69 61.46 3pck s THR 98 Cb -0.19 -3.27 0.24 0.00 1.34 0.00 0.00 72.50 70.62 3pck s THR 98 CO 0.19 0.10 1.70 0.49 -0.54 0.00 0.00 174.62 176.56 3pck n PHE 99 N 0.69 0.80 0.00 3.99 3.72 -1.26 -1.58 117.46 123.83 3pck n PHE 99 Ca 0.01 0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.76 3pck n PHE 99 Cb 0.41 -1.07 0.00 0.00 -0.94 0.00 0.00 39.48 37.88 3pck n PHE 99 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3pck n ASP 100 N -2.26 0.00 -0.31 4.37 5.75 -1.26 -4.76 116.55 118.08 3pck n ASP 100 Ca 0.01 0.00 0.24 0.00 -0.01 0.00 0.00 54.79 55.03 3pck n ASP 100 Cb 0.15 0.00 0.55 0.00 -1.03 0.00 0.00 41.12 40.80 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 2.39 -2.78 2.12 0.00 -2.00 -3.46 119.26 113.53 3pck h ALA 101 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3pck h ALA 101 Cb 0.00 0.03 0.05 0.00 0.00 0.00 0.00 17.79 17.87 3pck h ALA 101 CO 0.00 -0.76 -0.21 0.41 0.00 0.00 0.00 179.25 178.69 3pck n GLY 102 N -1.53 0.34 3.20 0.00 0.00 -0.61 -4.96 105.19 101.63 3pck n GLY 102 Ca 0.24 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.79 1.36 0.35 1.61 2.12 -1.26 -4.36 118.70 113.72 3pck s GLU 103 Ca 0.07 -0.79 0.08 0.00 0.36 0.00 0.00 54.97 54.69 3pck s GLU 103 Cb -0.03 -1.38 -0.04 0.00 0.26 0.00 0.00 34.13 32.93 3pck s GLU 103 CO 0.21 0.36 0.15 1.67 -0.54 0.00 0.00 175.26 177.11 3pck s TRP 104 N -0.64 2.70 -0.02 5.30 1.48 -0.55 -3.16 118.94 124.04 3pck s TRP 104 Ca 0.06 -0.40 -0.14 0.00 -1.06 0.00 0.00 56.10 54.57 3pck s TRP 104 Cb -0.08 -1.67 0.02 0.00 -1.16 0.00 0.00 33.47 30.58 3pck s TRP 104 CO 0.01 0.32 0.29 0.95 -4.06 0.00 0.00 176.95 174.46 3pck s THR 105 N -2.44 0.06 0.01 0.66 -4.23 -1.26 -2.85 115.64 105.59 3pck s THR 105 Ca 0.38 -0.46 0.02 0.00 -1.18 0.00 0.00 61.69 60.45 3pck s THR 105 Cb -0.02 -0.58 -0.01 0.00 1.34 0.00 0.00 72.50 73.23 3pck s THR 105 CO 0.23 -0.25 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.24 3pck s LEU 106 N -1.21 2.10 -0.28 4.79 1.43 -0.38 -4.81 118.68 120.32 3pck s LEU 106 Ca -0.13 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3pck s LEU 106 Cb -0.05 -0.20 0.04 0.00 0.03 0.00 0.00 46.19 46.01 3pck s LEU 106 CO 0.04 -0.04 -0.04 -1.00 0.23 0.00 0.00 176.35 175.53 3pck s HIS 107 N -0.58 3.20 0.03 0.29 3.76 0.64 -1.24 115.29 121.40 3pck s HIS 107 Ca -0.03 -1.87 -0.01 0.00 -0.15 0.00 0.00 55.06 53.01 3pck s HIS 107 Cb -0.05 -2.06 0.00 0.00 1.11 0.00 0.00 32.58 31.59 3pck s HIS 107 CO -0.00 -0.80 0.05 -2.37 -0.85 0.00 0.00 174.74 170.77 3pck n THR 108 N 4.60 0.00 -4.25 1.30 5.66 -0.68 -0.21 114.28 120.70 3pck n THR 108 Ca -0.14 -0.14 -0.29 0.00 -3.05 0.00 0.00 64.05 60.43 3pck n THR 108 Cb 0.44 0.10 -0.10 0.00 -1.55 0.00 0.00 70.33 69.22 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 -2.60 3.30 0.01 1.08 -7.23 -1.26 0.35 120.40 114.06 3pck s VAL 109 Ca 0.02 -1.41 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 3pck s VAL 109 Cb -0.00 -2.58 -0.06 0.00 0.56 0.00 0.00 36.38 34.30 3pck s VAL 109 CO 0.02 0.03 1.43 -0.75 -0.31 0.00 0.00 175.10 175.52 3pck s LYS 110 N -2.43 4.27 0.46 4.82 2.20 -0.10 -4.90 119.74 124.07 3pck s LYS 110 Ca 0.22 2.01 -0.22 0.00 -0.36 0.00 0.00 55.97 57.62 3pck s LYS 110 Cb -0.10 -3.57 -0.08 0.00 -1.51 0.00 0.00 37.83 32.57 3pck s LYS 110 CO 0.14 -0.59 1.09 -1.25 -0.36 0.00 0.00 175.35 174.39 3pck s PRO 111 N 2.38 3.82 0.75 4.03 0.04 -1.26 -4.19 135.00 140.58 3pck s PRO 111 Ca 0.65 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 63.14 3pck s PRO 111 Cb -0.32 -2.30 0.04 0.00 0.04 0.00 0.00 34.50 31.95 3pck s PRO 111 CO 0.27 -0.45 1.12 0.20 0.04 0.00 0.00 177.00 178.19 3pck s GLY 112 N -1.64 1.62 0.29 0.56 0.00 -0.07 -4.72 107.32 103.37 3pck s GLY 112 Ca 0.64 -0.43 -0.29 0.00 0.00 0.00 0.00 44.72 44.64 3pck s GLY 112 CO 0.28 -0.02 1.18 0.14 0.00 0.00 0.00 173.10 174.68 3pck s VAL 113 N -3.42 3.20 0.05 1.40 1.01 -1.26 -4.33 120.40 117.06 3pck s VAL 113 Ca 0.60 1.20 0.06 0.00 0.00 0.00 0.00 61.98 63.84 3pck s VAL 113 Cb -0.11 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3pck s VAL 113 CO 0.51 0.28 -0.18 0.68 0.00 0.00 0.00 175.10 176.40 3pck s VAL 114 N -1.09 1.41 0.17 2.92 -7.23 -1.25 -4.47 120.40 110.85 3pck s VAL 114 Ca 0.47 -1.19 -0.11 0.00 -1.81 0.00 0.00 61.98 59.33 3pck s VAL 114 Cb -0.35 -1.27 -0.07 0.00 0.56 0.00 0.00 36.38 35.26 3pck s VAL 114 CO 0.45 0.04 0.51 0.20 -0.31 0.00 0.00 175.10 175.99 3pck s ASN 115 N -1.34 6.69 1.01 4.85 0.01 -1.26 0.26 114.94 125.16 3pck s ASN 115 Ca 0.04 0.93 -0.04 0.00 -0.71 0.00 0.00 52.86 53.08 3pck s ASN 115 Cb -0.09 -2.23 0.05 0.00 0.41 0.00 0.00 41.25 39.39 3pck s ASN 115 CO 0.02 0.05 0.26 -0.46 -1.51 0.00 0.00 177.10 175.46 3pck n ASN 116 N 0.41 -0.31 0.09 -1.22 0.23 0.33 -4.85 115.26 109.94 3pck n ASN 116 Ca -0.03 -0.97 0.03 0.00 -0.53 0.00 0.00 54.58 53.07 3pck n ASN 116 Cb 0.52 -0.21 0.40 0.00 -2.08 0.00 0.00 39.78 38.41 3pck n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pck h ALA 117 N -2.01 1.54 -0.05 -2.53 0.00 -1.99 -2.53 119.26 111.69 3pck h ALA 117 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3pck h ALA 117 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3pck h ALA 117 CO 0.06 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.64 3pck n ALA 118 N -2.49 2.58 -0.75 0.00 0.00 -1.26 -4.91 120.51 113.69 3pck n ALA 118 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3pck n ALA 118 Cb 0.23 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.93 0.59 3.76 0.00 0.00 -0.95 -5.05 105.19 104.47 3pck n GLY 119 Ca 0.15 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 5.34 0.26 1.61 1.01 -1.26 -4.81 120.40 120.55 3pck s VAL 120 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.12 3pck s VAL 120 Cb 0.00 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 3pck s VAL 120 CO 0.00 0.45 1.08 -2.16 0.00 0.00 0.00 175.10 174.47 3pck s PRO 121 N 0.07 4.67 0.08 2.72 0.04 -1.26 0.12 135.00 141.44 3pck s PRO 121 Ca 0.15 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.92 3pck s PRO 121 Cb -0.13 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 3pck s PRO 121 CO 0.03 0.24 0.26 -1.64 0.04 0.00 0.00 177.00 175.93 3pck s MET 122 N -1.25 3.49 0.67 4.56 -1.94 0.14 -4.45 119.30 120.52 3pck s MET 122 Ca 0.45 -0.33 -0.14 0.00 -1.71 0.00 0.00 55.69 53.95 3pck s MET 122 Cb -0.31 -2.99 0.00 0.00 2.01 0.00 0.00 34.83 33.54 3pck s MET 122 CO 0.39 0.57 1.10 0.00 -0.01 0.00 0.00 175.02 177.07 3pck s ALA 123 N -1.54 2.49 0.20 3.03 0.00 -1.26 -3.87 121.76 120.81 3pck s ALA 123 Ca 0.36 0.46 -0.32 0.00 0.00 0.00 0.00 51.96 52.46 3pck s ALA 123 Cb -0.13 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.56 3pck s ALA 123 CO 0.27 -1.27 1.35 -2.30 0.00 0.00 0.00 175.76 173.81 3pck n PRO 124 N -2.54 1.72 -3.61 0.00 -0.02 -1.26 -4.83 135.00 124.46 3pck n PRO 124 Ca 0.10 0.62 -0.11 0.00 -2.02 0.00 0.00 63.50 62.09 3pck n PRO 124 Cb 0.52 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 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 0.05 -0.25 -0.13 6.00 -3.43 -1.26 -4.32 115.29 111.95 3pck s HIS 125 Ca 0.72 -0.06 0.02 0.00 -0.80 0.00 0.00 55.06 54.95 3pck s HIS 125 Cb -0.73 0.33 0.01 0.00 -1.43 0.00 0.00 32.58 30.76 3pck s HIS 125 CO 0.49 -0.76 -0.20 0.42 -2.00 0.00 0.00 174.74 172.69 3pck s ILE 126 N -3.81 1.88 -0.11 -5.38 1.01 -0.16 -4.63 121.20 110.00 3pck s ILE 126 Ca 0.04 -0.87 -0.27 0.00 0.00 0.00 0.00 60.65 59.55 3pck s ILE 126 Cb 0.01 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 3pck s ILE 126 CO -0.11 0.51 0.88 0.20 0.00 0.00 0.00 174.94 176.43 3pck s ASN 127 N 0.88 7.10 -0.03 3.58 0.01 -0.03 -0.14 114.94 126.30 3pck s ASN 127 Ca -0.07 1.34 0.05 0.00 -0.71 0.00 0.00 52.86 53.47 3pck s ASN 127 Cb -0.15 -2.49 -0.01 0.00 0.41 0.00 0.00 41.25 39.01 3pck s ASN 127 CO -0.02 -0.34 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.43 3pck s ILE 128 N 1.72 1.38 -0.17 0.60 1.01 -0.83 -0.82 121.20 124.10 3pck s ILE 128 Ca 0.43 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.37 3pck s ILE 128 Cb -0.18 -1.18 0.02 0.00 0.01 0.00 0.00 42.46 41.14 3pck s ILE 128 CO 0.17 0.40 -0.18 -0.44 0.00 0.00 0.00 174.94 174.89 3pck s SER 129 N -0.12 2.95 -0.17 3.58 0.01 -0.51 -0.08 113.70 119.35 3pck s SER 129 Ca 0.00 -0.58 -0.08 0.00 1.31 0.00 0.00 55.95 56.60 3pck s SER 129 Cb -0.10 -1.36 -0.04 0.00 0.21 0.00 0.00 66.02 64.73 3pck s SER 129 CO 0.01 -0.02 0.08 -0.22 0.41 0.00 0.00 173.24 173.51 3pck s LEU 130 N 1.34 3.97 0.05 2.44 2.96 0.11 -1.87 118.68 127.69 3pck s LEU 130 Ca 0.04 0.17 0.05 0.00 -0.22 0.00 0.00 54.13 54.17 3pck s LEU 130 Cb -0.13 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 3pck s LEU 130 CO -0.12 0.21 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.62 3pck s PHE 131 N 0.14 1.26 0.00 5.38 0.40 0.28 -1.63 117.98 123.81 3pck s PHE 131 Ca 0.06 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 3pck s PHE 131 Cb -0.12 -0.73 0.00 0.00 0.51 0.00 0.00 43.02 42.68 3pck s PHE 131 CO 0.00 0.05 0.00 0.00 0.70 0.00 0.00 175.22 175.97 3pck n ALA 132 N 1.68 0.00 -1.65 5.36 0.00 -1.26 -0.25 120.51 124.39 3pck n ALA 132 Ca -0.19 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.77 3pck n ALA 132 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.20 1.85 -0.07 0.00 0.63 -1.25 -1.12 116.66 116.49 3pck n ARG 133 Ca 0.00 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.60 3pck n ARG 133 Cb 0.00 -2.41 0.00 0.00 0.45 0.00 0.00 32.46 30.50 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 3.32 0.89 3.24 5.14 0.00 -1.26 -4.98 105.19 111.53 3pck n GLY 134 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.39 3.74 0.11 -0.61 1.01 -0.28 -5.00 121.20 117.78 3pck s ILE 135 Ca 0.00 -1.39 -0.15 0.00 0.00 0.00 0.00 60.65 59.11 3pck s ILE 135 Cb 0.00 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 3pck s ILE 135 CO 0.00 -0.35 1.52 0.78 0.00 0.00 0.00 174.94 176.89 3pck h ASN 136 N 8.22 0.66 -3.67 3.58 2.35 -1.91 -3.34 115.58 121.47 3pck h ASN 136 Ca -0.21 -0.35 -0.43 0.00 -0.55 0.00 0.00 56.30 54.76 3pck h ASN 136 Cb 1.07 -0.18 -0.32 0.00 0.05 0.00 0.00 38.32 38.95 3pck h ASN 136 CO 0.65 0.86 -0.78 -0.51 -1.65 0.00 0.00 177.43 176.00 3pck s ILE 137 N -4.83 0.73 0.50 2.81 2.07 -1.26 -3.26 121.20 117.96 3pck s ILE 137 Ca -0.13 -0.29 -0.23 0.00 -1.41 0.00 0.00 60.65 58.58 3pck s ILE 137 Cb 0.09 -0.67 -0.06 0.00 0.13 0.00 0.00 42.46 41.95 3pck s ILE 137 CO 0.79 0.24 1.37 -1.38 -1.91 0.00 0.00 174.94 174.06 3pck s HIS 138 N 0.44 2.39 -0.11 3.50 -3.43 -1.26 -4.99 115.29 111.82 3pck s HIS 138 Ca -0.07 1.34 -0.20 0.00 -0.80 0.00 0.00 55.06 55.33 3pck s HIS 138 Cb -0.11 -3.82 -0.04 0.00 -1.43 0.00 0.00 32.58 27.18 3pck s HIS 138 CO 0.01 -2.83 0.56 -0.51 -2.00 0.00 0.00 174.74 169.97 3pck s LEU 139 N -3.19 4.27 -0.16 5.38 1.43 -0.64 -4.89 118.68 120.88 3pck s LEU 139 Ca 0.67 0.93 -0.06 0.00 -1.03 0.00 0.00 54.13 54.64 3pck s LEU 139 Cb -0.41 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 3pck s LEU 139 CO 0.50 -0.06 0.05 -1.00 0.23 0.00 0.00 176.35 176.07 3pck s HIS 140 N 0.81 3.25 0.33 0.29 3.76 -1.26 0.09 115.29 122.56 3pck s HIS 140 Ca 0.30 0.10 0.04 0.00 -0.15 0.00 0.00 55.06 55.35 3pck s HIS 140 Cb -0.16 -2.01 -0.01 0.00 1.11 0.00 0.00 32.58 31.50 3pck s HIS 140 CO 0.13 0.24 0.35 -2.37 -0.85 0.00 0.00 174.74 172.23 3pck n THR 141 N 3.18 0.00 -3.83 1.30 5.66 0.88 -0.87 114.28 120.60 3pck n THR 141 Ca -0.17 -2.12 -0.13 0.00 -3.05 0.00 0.00 64.05 58.58 3pck n THR 141 Cb 0.53 1.13 -0.14 0.00 -1.55 0.00 0.00 70.33 70.29 3pck n THR 141 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3pck s ARG 142 N -3.11 0.01 -0.21 1.09 0.52 -1.26 -1.96 118.95 114.03 3pck s ARG 142 Ca 0.35 0.09 -0.08 0.00 -0.52 0.00 0.00 55.73 55.57 3pck s ARG 142 Cb 0.01 -0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.37 3pck s ARG 142 CO 0.25 -0.06 0.07 -1.17 0.02 0.00 0.00 175.30 174.41 3pck s LEU 143 N 0.39 3.72 0.32 2.53 0.20 0.80 -4.76 118.68 121.87 3pck s LEU 143 Ca -0.03 -0.01 0.10 0.00 0.69 0.00 0.00 54.13 54.87 3pck s LEU 143 Cb -0.05 -1.96 -0.05 0.00 -0.43 0.00 0.00 46.19 43.70 3pck s LEU 143 CO -0.01 0.09 -0.05 -0.31 -0.29 0.00 0.00 176.35 175.78 3pck s TYR 144 N 0.86 2.50 -0.07 5.38 1.51 -0.27 -0.99 117.35 126.26 3pck s TYR 144 Ca 0.04 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.72 3pck s TYR 144 Cb -0.14 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 3pck s TYR 144 CO 0.02 0.56 -0.13 -0.06 -1.11 0.00 0.00 175.55 174.84 3pck s PHE 145 N -2.51 2.77 0.53 2.71 0.40 -1.26 0.82 117.98 121.43 3pck s PHE 145 Ca 0.33 -0.22 0.25 0.00 -0.60 0.00 0.00 56.93 56.70 3pck s PHE 145 Cb -0.01 -1.69 1.57 0.00 0.51 0.00 0.00 43.02 43.40 3pck s PHE 145 CO 0.18 0.13 2.17 0.38 0.70 0.00 0.00 175.22 178.79 3pck h ASP 146 N 5.60 0.00 -0.32 1.36 2.03 -1.70 -2.69 116.42 120.71 3pck h ASP 146 Ca -0.43 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.86 3pck h ASP 146 Cb 1.17 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.66 3pck h ASP 146 CO 0.52 0.05 0.01 -0.90 -1.03 0.00 0.00 179.24 177.88 3pck n ASP 147 N -3.96 3.57 -1.00 4.15 5.68 -1.26 -3.66 116.55 120.07 3pck n ASP 147 Ca -0.03 -2.52 0.05 0.00 -0.50 0.00 0.00 54.79 51.79 3pck n ASP 147 Cb 0.13 -0.60 0.10 0.00 -1.14 0.00 0.00 41.12 39.61 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 0.32 0.68 -0.30 0.11 -0.58 -1.01 -4.88 120.64 114.97 3pck n GLU 148 Ca 0.16 -2.45 0.14 0.00 -0.42 0.00 0.00 57.16 54.58 3pck n GLU 148 Cb 0.78 -0.74 0.31 0.00 -0.57 0.00 0.00 31.44 31.21 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 0.86 1.34 -0.43 0.62 0.00 -1.73 0.32 119.26 120.24 3pck h ALA 149 Ca -0.11 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3pck h ALA 149 Cb 1.47 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 3pck h ALA 149 CO 0.05 -0.47 0.13 1.96 0.00 0.00 0.00 179.25 180.91 3pck h GLN 150 N 0.22 0.67 -0.33 0.00 4.20 -1.92 -2.54 115.11 115.40 3pck h GLN 150 Ca 0.57 -0.15 -0.17 0.00 0.06 0.00 0.00 58.65 58.96 3pck h GLN 150 Cb 1.16 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.84 3pck h GLN 150 CO -0.65 0.66 -0.46 0.00 -0.67 0.00 0.00 178.83 177.72 3pck h ALA 151 N 0.98 0.50 -0.85 3.87 0.00 -1.33 -3.27 119.26 119.17 3pck h ALA 151 Ca 0.14 -0.48 0.07 0.00 0.00 0.00 0.00 54.91 54.63 3pck h ALA 151 Cb 0.28 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3pck h ALA 151 CO -0.00 0.66 0.55 -0.91 0.00 0.00 0.00 179.25 179.55 3pck h ASN 152 N 0.70 0.82 0.24 0.00 2.35 -0.37 -2.25 115.58 117.06 3pck h ASN 152 Ca 0.04 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3pck h ASN 152 Cb 1.06 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.26 3pck h ASN 152 CO 0.11 0.52 -0.16 0.00 -1.65 0.00 0.00 177.43 176.24 3pck h ALA 153 N 1.54 1.54 -0.10 -0.83 0.00 -1.50 -3.09 119.26 116.83 3pck h ALA 153 Ca 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3pck h ALA 153 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3pck h ALA 153 CO -0.13 0.21 0.00 1.63 0.00 0.00 0.00 179.25 180.95 3pck n LYS 154 N -4.08 1.66 -2.00 0.00 5.02 -0.88 -4.94 118.16 112.95 3pck n LYS 154 Ca -0.02 -1.68 -0.42 0.00 -2.02 0.00 0.00 58.31 54.17 3pck n LYS 154 Cb 0.24 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 3pck n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3pck h PRO 156 N 8.50 0.00 0.00 0.00 0.13 -1.93 -0.99 132.00 137.71 3pck h PRO 156 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 3pck h PRO 156 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3pck h PRO 156 CO 0.93 0.05 -0.09 0.28 -0.23 0.00 0.00 178.00 178.94 3pck h VAL 157 N 0.00 1.15 -0.90 1.56 2.07 -1.94 -3.16 116.25 115.04 3pck h VAL 157 Ca -0.00 -1.89 0.15 0.00 0.82 0.00 0.00 66.70 65.78 3pck h VAL 157 Cb 0.21 2.21 -0.07 0.00 -1.52 0.00 0.00 31.29 32.12 3pck h VAL 157 CO 0.01 0.39 0.58 0.25 0.02 0.00 0.00 177.57 178.82 3pck h LEU 158 N -1.00 0.65 -1.38 2.57 5.85 -1.88 0.04 115.31 120.16 3pck h LEU 158 Ca -0.02 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3pck h LEU 158 Cb 0.70 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3pck h LEU 158 CO -0.01 0.32 0.00 0.78 -0.34 0.00 0.00 178.44 179.19 3pck h ASN 159 N 0.68 0.00 1.43 1.25 2.35 -1.27 -2.62 115.58 117.40 3pck h ASN 159 Ca 0.46 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.18 3pck h ASN 159 Cb 0.76 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 3pck h ASN 159 CO -0.21 0.00 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.37 3pck h LEU 160 N 0.00 0.00 -8.77 1.61 3.38 -0.94 -3.42 115.31 107.17 3pck h LEU 160 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3pck h LEU 160 Cb 0.36 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3pck h LEU 160 CO 0.00 0.12 1.13 -0.63 0.09 0.00 0.00 178.44 179.15 3pck s ILE 161 N -3.39 3.79 0.17 1.22 1.01 -0.99 -4.90 121.20 118.11 3pck s ILE 161 Ca 0.04 0.78 -0.26 0.00 0.00 0.00 0.00 60.65 61.21 3pck s ILE 161 Cb 0.08 -4.11 0.04 0.00 0.01 0.00 0.00 42.46 38.47 3pck s ILE 161 CO 0.64 -0.74 1.56 -0.33 0.00 0.00 0.00 174.94 176.07 3pck h GLU 162 N 11.32 -0.18 -5.19 2.79 5.08 -1.88 -3.39 114.58 123.14 3pck h GLU 162 Ca -0.29 0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.45 3pck h GLU 162 Cb 1.12 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.26 3pck h GLU 162 CO 1.09 -0.12 -0.13 -0.65 -1.00 0.00 0.00 179.01 178.20 3pck s GLN 163 N -5.80 3.79 0.29 2.33 -1.52 -1.26 -4.98 119.66 112.52 3pck s GLN 163 Ca -0.14 -0.07 0.05 0.00 -1.95 0.00 0.00 55.36 53.25 3pck s GLN 163 Cb 0.13 -3.74 0.74 0.00 -0.22 0.00 0.00 33.01 29.92 3pck s GLN 163 CO 0.66 -0.48 1.72 -1.35 -0.25 0.00 0.00 175.29 175.59 3pck h PRO 164 N 8.31 0.49 -0.38 2.91 0.10 -1.97 -0.75 132.00 140.71 3pck h PRO 164 Ca -0.29 -0.03 0.11 0.00 0.10 0.00 0.00 66.00 65.89 3pck h PRO 164 Cb 1.14 -0.11 -0.02 0.00 0.10 0.00 0.00 31.00 32.11 3pck h PRO 164 CO 0.71 0.33 0.30 1.96 0.10 0.00 0.00 178.00 181.40 3pck h GLN 165 N 0.51 0.00 0.00 1.05 7.50 -1.95 -1.42 115.11 120.79 3pck h GLN 165 Ca 0.57 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 59.56 3pck h GLN 165 Cb 1.02 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.53 3pck h GLN 165 CO -0.48 0.00 -0.76 0.00 -1.50 0.00 0.00 178.83 176.09 3pck h ARG 166 N 0.00 0.00 -0.43 1.46 3.08 -1.53 -3.27 114.38 113.69 3pck h ARG 166 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3pck h ARG 166 Cb 0.77 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 3pck h ARG 166 CO -0.00 0.76 0.27 0.00 -1.07 0.00 0.00 179.97 179.93 3pck h ARG 167 N 0.00 0.56 0.00 0.04 3.08 -1.28 -1.95 114.38 114.83 3pck h ARG 167 Ca -0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3pck h ARG 167 Cb 1.44 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 3pck h ARG 167 CO 0.10 0.38 -0.06 0.93 -1.07 0.00 0.00 179.97 180.25 3pck h GLU 168 N 0.58 0.00 0.00 0.04 5.08 -1.64 -1.37 114.58 117.27 3pck h GLU 168 Ca 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3pck h GLU 168 Cb -0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3pck h GLU 168 CO -0.03 0.06 -0.07 1.79 -1.00 0.00 0.00 179.01 179.76 3pck h THR 169 N 0.00 0.26 -0.01 1.13 1.35 -1.53 -2.62 112.91 111.48 3pck h THR 169 Ca -0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3pck h THR 169 Cb 0.22 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3pck h THR 169 CO 0.01 0.07 -0.17 0.18 -0.25 0.00 0.00 175.52 175.36 3pck n LEU 170 N -3.30 1.23 -4.55 3.87 4.77 -0.52 -4.84 117.00 113.67 3pck n LEU 170 Ca -0.01 -0.36 -0.40 0.00 -0.03 0.00 0.00 56.01 55.21 3pck n LEU 170 Cb 0.26 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 3pck n LEU 170 CO 0.28 0.22 -0.07 -0.63 -1.33 0.00 0.00 177.39 175.86 3pck s ILE 171 N -2.32 5.25 0.35 -0.08 1.01 -0.99 -1.11 121.20 123.30 3pck s ILE 171 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 60.65 60.68 3pck s ILE 171 Cb 0.20 -3.71 -0.09 0.00 0.01 0.00 0.00 42.46 38.87 3pck s ILE 171 CO 0.45 0.03 1.11 0.00 0.00 0.00 0.00 174.94 176.53 3pck s ALA 172 N 1.85 3.25 -0.33 9.38 0.00 0.24 -4.82 121.76 131.33 3pck s ALA 172 Ca 0.09 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 52.75 3pck s ALA 172 Cb -0.17 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 3pck s ALA 172 CO 0.11 -0.28 0.38 0.15 0.00 0.00 0.00 175.76 176.12 3pck s LYS 173 N -1.99 3.66 0.20 0.00 1.02 -0.78 -1.90 119.74 119.95 3pck s LYS 173 Ca 0.52 -0.29 -0.31 0.00 0.02 0.00 0.00 55.97 55.90 3pck s LYS 173 Cb -0.29 -3.77 -0.11 0.00 -0.52 0.00 0.00 37.83 33.14 3pck s LYS 173 CO 0.37 -0.49 1.60 0.50 -0.92 0.00 0.00 175.35 176.41 3pck s ARG 174 N 2.07 4.19 0.00 1.68 3.52 -1.26 -1.11 118.95 128.04 3pck s ARG 174 Ca 0.13 2.45 0.00 0.00 -0.13 0.00 0.00 55.73 58.18 3pck s ARG 174 Cb -0.16 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 3pck s ARG 174 CO 0.12 -0.63 0.00 0.00 -0.81 0.00 0.00 175.30 173.97 3pck s GLU 176 N -0.33 0.15 -0.14 0.00 2.12 -1.26 -1.69 118.70 117.56 3pck s GLU 176 Ca 0.00 -0.19 -0.02 0.00 0.36 0.00 0.00 54.97 55.12 3pck s GLU 176 Cb 0.00 0.06 0.04 0.00 0.26 0.00 0.00 34.13 34.49 3pck s GLU 176 CO 0.00 -0.03 0.01 0.08 -0.54 0.00 0.00 175.26 174.78 3pck s VAL 177 N -0.54 0.53 -1.37 3.70 1.01 0.26 -4.79 120.40 119.20 3pck s VAL 177 Ca -0.06 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 3pck s VAL 177 Cb -0.04 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.52 3pck s VAL 177 CO -0.00 0.03 1.03 0.47 0.00 0.00 0.00 175.10 176.63 3pck n ASP 178 N 5.07 -4.41 -0.55 3.32 8.00 -1.26 -0.72 116.55 126.01 3pck n ASP 178 Ca -0.09 -0.66 -0.07 0.00 0.71 0.00 0.00 54.79 54.68 3pck n ASP 178 Cb 0.48 -4.61 -0.03 0.00 -0.02 0.00 0.00 41.12 36.95 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 -1.70 0.88 3.54 0.44 0.00 -1.26 -5.01 105.19 102.08 3pck n GLY 179 Ca -0.08 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.27 2.09 -0.11 1.61 2.20 0.10 -5.08 119.74 118.27 3pck s LYS 180 Ca 0.00 -1.02 -0.29 0.00 -0.36 0.00 0.00 55.97 54.30 3pck s LYS 180 Cb 0.00 -2.26 -0.04 0.00 -1.51 0.00 0.00 37.83 34.02 3pck s LYS 180 CO 0.00 0.52 1.52 0.99 -0.36 0.00 0.00 175.35 178.02 3pck s THR 181 N -1.13 3.83 0.11 3.43 2.01 -1.26 0.91 115.64 123.54 3pck s THR 181 Ca 0.19 0.99 0.04 0.00 0.31 0.00 0.00 61.69 63.22 3pck s THR 181 Cb -0.11 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3pck s THR 181 CO 0.11 -0.11 -0.10 0.00 -0.69 0.00 0.00 174.62 173.83 3pck s ALA 182 N 3.98 1.17 -0.03 7.40 0.00 -0.68 -1.36 121.76 132.24 3pck s ALA 182 Ca 0.67 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 51.38 3pck s ALA 182 Cb -0.29 0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.89 3pck s ALA 182 CO 0.25 -0.07 -0.07 0.71 0.00 0.00 0.00 175.76 176.58 3pck s TYR 183 N -2.74 0.81 -0.25 0.00 1.51 0.09 0.21 117.35 116.97 3pck s TYR 183 Ca 0.08 -0.21 -0.11 0.00 -1.01 0.00 0.00 57.07 55.83 3pck s TYR 183 Cb -0.01 -0.62 -0.05 0.00 -0.11 0.00 0.00 41.96 41.17 3pck s TYR 183 CO -0.00 -0.12 0.18 0.50 -1.11 0.00 0.00 175.55 174.99 3pck s ARG 184 N 0.41 4.04 -0.33 -0.62 3.52 -0.27 -1.53 118.95 124.16 3pck s ARG 184 Ca -0.06 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.28 3pck s ARG 184 Cb -0.10 -3.58 0.11 0.00 -1.56 0.00 0.00 34.95 29.82 3pck s ARG 184 CO 0.00 -0.02 0.11 0.12 -0.81 0.00 0.00 175.30 174.71 3pck s PHE 185 N 1.29 2.05 0.05 5.12 5.36 0.27 -1.86 117.98 130.27 3pck s PHE 185 Ca 0.08 -2.03 -0.17 0.00 -0.96 0.00 0.00 56.93 53.84 3pck s PHE 185 Cb -0.14 -1.92 -0.06 0.00 -0.34 0.00 0.00 43.02 40.55 3pck s PHE 185 CO 0.07 -0.87 0.51 -0.51 -1.46 0.00 0.00 175.22 172.95 3pck s ASP 186 N 1.31 6.95 -0.16 6.13 1.01 -1.26 -3.91 116.67 126.74 3pck s ASP 186 Ca 0.11 1.14 -0.03 0.00 0.71 0.00 0.00 52.55 54.48 3pck s ASP 186 Cb -0.19 -2.31 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 3pck s ASP 186 CO -0.19 0.28 -0.05 -0.63 0.21 0.00 0.00 175.17 174.79 3pck s ILE 187 N -1.13 3.69 -0.29 0.77 1.01 -0.06 -4.96 121.20 120.23 3pck s ILE 187 Ca 0.28 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.53 3pck s ILE 187 Cb -0.18 -2.61 0.08 0.00 0.01 0.00 0.00 42.46 39.75 3pck s ILE 187 CO 0.17 0.49 -0.04 -0.13 0.00 0.00 0.00 174.94 175.43 3pck s ARG 188 N 0.46 1.82 0.19 2.79 0.52 -1.26 -0.87 118.95 122.60 3pck s ARG 188 Ca -0.05 -1.47 -0.09 0.00 -0.52 0.00 0.00 55.73 53.60 3pck s ARG 188 Cb -0.15 -2.92 0.09 0.00 0.52 0.00 0.00 34.95 32.49 3pck s ARG 188 CO 0.03 -0.72 1.68 0.82 0.02 0.00 0.00 175.30 177.13 3pck h ILE 189 N 6.69 1.26 -3.21 1.52 2.04 -1.23 -0.02 117.51 124.56 3pck h ILE 189 Ca -0.13 -1.04 -0.12 0.00 1.00 0.00 0.00 64.86 64.57 3pck h ILE 189 Cb 1.04 0.67 -0.19 0.00 -0.74 0.00 0.00 36.82 37.59 3pck h ILE 189 CO 0.47 0.39 -0.32 -1.58 0.00 0.00 0.00 178.15 177.11 3pck s GLN 190 N -5.20 0.66 1.43 2.37 0.74 -1.26 -4.74 119.66 113.66 3pck s GLN 190 Ca -0.12 -0.32 0.00 0.00 0.05 0.00 0.00 55.36 54.97 3pck s GLN 190 Cb 0.14 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.54 3pck s GLN 190 CO 0.85 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.81 3pck n GLY 191 N 1.13 -0.37 3.68 2.59 0.00 -1.26 -3.92 105.19 107.04 3pck n GLY 191 Ca -0.21 -1.49 -0.55 0.00 0.00 0.00 0.00 46.02 43.77 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 0.00 1.32 -2.38 1.61 -0.00 -1.26 -0.63 120.64 119.30 3pck n GLU 192 Ca 0.00 0.48 -0.14 0.00 -0.00 0.00 0.00 57.16 57.50 3pck n GLU 192 Cb 0.00 -2.18 0.00 0.00 -0.00 0.00 0.00 31.44 29.26 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 3.83 -0.19 3.69 -1.84 0.00 -1.26 -4.95 105.19 104.47 3pck n GLY 193 Ca 0.24 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 3pck n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pck n GLU 194 N -2.49 2.26 -2.36 1.61 2.13 0.20 -4.66 120.64 117.32 3pck n GLU 194 Ca -0.15 0.81 -0.41 0.00 0.66 0.00 0.00 57.16 58.07 3pck n GLU 194 Cb 0.62 -2.53 -0.04 0.00 0.27 0.00 0.00 31.44 29.77 3pck n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pck s THR 195 N 0.20 3.28 0.29 6.31 2.01 -0.02 -4.96 115.64 122.75 3pck s THR 195 Ca 0.69 1.26 -0.29 0.00 0.31 0.00 0.00 61.69 63.66 3pck s THR 195 Cb -0.61 -3.80 -0.10 0.00 0.01 0.00 0.00 72.50 68.00 3pck s THR 195 CO 0.46 0.29 1.29 -0.69 -0.69 0.00 0.00 174.62 175.28 3pck s VAL 196 N -1.00 2.91 0.05 3.82 1.01 -1.26 -4.93 120.40 121.00 3pck s VAL 196 Ca 0.47 0.86 0.07 0.00 0.00 0.00 0.00 61.98 63.39 3pck s VAL 196 Cb -0.34 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3pck s VAL 196 CO 0.44 0.18 -0.21 -0.36 0.00 0.00 0.00 175.10 175.15 3pck s PHE 197 N -0.77 1.81 0.26 5.22 0.08 -1.26 -4.68 117.98 118.63 3pck s PHE 197 Ca 0.51 -0.38 0.08 0.00 0.12 0.00 0.00 56.93 57.26 3pck s PHE 197 Cb -0.38 -1.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 3pck s PHE 197 CO 0.47 0.10 0.10 -0.06 -0.10 0.00 0.00 175.22 175.73 3pck s PHE 198 N -0.82 2.90 -0.06 0.36 0.08 -0.05 -5.00 117.98 115.40 3pck s PHE 198 Ca 0.07 -0.16 0.03 0.00 0.12 0.00 0.00 56.93 56.98 3pck s PHE 198 Cb -0.09 -1.30 0.01 0.00 -0.57 0.00 0.00 43.02 41.07 3pck s PHE 198 CO 0.02 0.57 -0.13 0.34 -0.10 0.00 0.00 175.22 175.92 3pck s ASP 199 N -3.74 1.76 0.00 1.36 2.15 -1.26 -4.30 116.67 112.64 3pck s ASP 199 Ca 0.32 -0.29 0.00 0.00 0.43 0.00 0.00 52.55 53.01 3pck s ASP 199 Cb -0.07 -0.72 0.00 0.00 -0.30 0.00 0.00 42.92 41.83 3pck s ASP 199 CO 0.22 0.06 0.00 2.22 -0.17 0.00 0.00 175.17 177.50