#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcf s ILE 2 N 0.00 4.41 -0.07 0.52 -1.09 -1.26 -5.05 121.20 118.67 3pcf s ILE 2 Ca 0.00 1.73 0.05 0.00 -2.23 0.00 0.00 60.65 60.20 3pcf s ILE 2 Cb 0.00 -4.11 -0.00 0.00 -1.58 0.00 0.00 42.46 36.77 3pcf s ILE 2 CO 0.00 0.13 -0.22 -1.61 -1.23 0.00 0.00 174.94 172.01 3pcf s GLU 3 N 1.06 2.46 0.40 2.79 0.41 -1.26 -5.15 118.70 119.42 3pcf s GLU 3 Ca 0.56 -0.78 -0.00 0.00 -0.41 0.00 0.00 54.97 54.33 3pcf s GLU 3 Cb -0.26 -2.00 0.08 0.00 -1.78 0.00 0.00 34.13 30.18 3pcf s GLU 3 CO 0.28 0.25 0.54 1.28 -0.49 0.00 0.00 175.26 177.13 3pcf n LEU 4 N 3.26 0.00 -4.77 1.80 4.32 -1.26 -5.04 117.00 115.32 3pcf n LEU 4 Ca -0.19 -1.14 -0.40 0.00 -0.02 0.00 0.00 56.01 54.27 3pcf n LEU 4 Cb 0.52 -0.35 -0.02 0.00 -1.62 0.00 0.00 43.42 41.95 3pcf n LEU 4 CO 0.26 -0.77 0.94 -0.76 -1.22 0.00 0.00 177.39 175.84 3pcf s LEU 5 N 0.00 4.32 0.30 2.23 1.43 -1.26 -4.96 118.68 120.74 3pcf s LEU 5 Ca 0.36 2.60 -0.27 0.00 -1.03 0.00 0.00 54.13 55.78 3pcf s LEU 5 Cb -0.02 -3.80 -0.10 0.00 0.03 0.00 0.00 46.19 42.31 3pcf s LEU 5 CO 0.24 -0.65 0.95 -2.16 0.23 0.00 0.00 176.35 174.97 3pcf s PRO 6 N -2.01 4.65 0.40 1.29 0.04 -1.26 -5.01 135.00 133.11 3pcf s PRO 6 Ca 0.53 1.40 -0.26 0.00 0.04 0.00 0.00 61.00 62.71 3pcf s PRO 6 Cb -0.37 -2.95 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 3pcf s PRO 6 CO 0.48 0.33 1.32 -2.00 0.04 0.00 0.00 177.00 177.18 3pcf s GLU 7 N -1.79 3.97 0.16 4.56 2.12 -1.26 -4.93 118.70 121.53 3pcf s GLU 7 Ca 0.48 2.20 -0.31 0.00 0.36 0.00 0.00 54.97 57.69 3pcf s GLU 7 Cb -0.21 -2.78 -0.11 0.00 0.26 0.00 0.00 34.13 31.29 3pcf s GLU 7 CO 0.27 -0.51 1.78 0.99 -0.54 0.00 0.00 175.26 177.25 3pcf s THR 8 N -1.24 2.32 0.41 -1.70 2.01 -1.26 -4.91 115.64 111.27 3pcf s THR 8 Ca 0.57 0.04 -0.26 0.00 0.31 0.00 0.00 61.69 62.35 3pcf s THR 8 Cb -0.39 -3.03 -0.09 0.00 0.01 0.00 0.00 72.50 69.00 3pcf s THR 8 CO 0.50 0.00 1.36 -2.84 -0.69 0.00 0.00 174.62 172.96 3pcf s PRO 9 N 2.04 3.92 0.73 4.92 0.02 -1.26 -5.01 135.00 140.36 3pcf s PRO 9 Ca 0.78 2.29 -0.11 0.00 0.02 0.00 0.00 61.00 63.98 3pcf s PRO 9 Cb -0.48 -2.77 0.03 0.00 0.02 0.00 0.00 34.50 31.31 3pcf s PRO 9 CO 0.34 -0.58 1.08 0.45 -0.33 0.00 0.00 177.00 177.96 3pcf s SER 10 N -0.58 4.91 0.05 2.53 0.15 -1.26 -5.08 113.70 114.41 3pcf s SER 10 Ca 0.57 1.75 -0.07 0.00 0.70 0.00 0.00 55.95 58.91 3pcf s SER 10 Cb -0.41 -2.51 -0.01 0.00 -1.71 0.00 0.00 66.02 61.38 3pcf s SER 10 CO 0.53 -1.76 0.12 -1.10 1.20 0.00 0.00 173.24 172.23 3pcf s GLN 11 N -4.89 0.67 0.62 5.44 -1.52 -1.16 -4.92 119.66 113.89 3pcf s GLN 11 Ca 0.60 -0.82 -0.18 0.00 -1.95 0.00 0.00 55.36 53.02 3pcf s GLN 11 Cb -0.16 0.26 -0.02 0.00 -0.22 0.00 0.00 33.01 32.87 3pcf s GLN 11 CO 0.54 -0.18 1.19 -0.08 -0.25 0.00 0.00 175.29 176.51 3pcf s THR 12 N -3.00 2.69 0.28 -0.19 -1.32 -1.22 -4.74 115.64 108.15 3pcf s THR 12 Ca -0.02 0.40 0.17 0.00 -1.21 0.00 0.00 61.69 61.04 3pcf s THR 12 Cb 0.01 -3.09 0.13 0.00 -1.51 0.00 0.00 72.50 68.04 3pcf s THR 12 CO -0.06 -0.12 1.80 0.00 -2.21 0.00 0.00 174.62 174.03 3pcf h ALA 13 N 0.62 1.15 0.00 11.08 0.00 -1.73 -3.49 119.26 126.89 3pcf h ALA 13 Ca -0.50 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3pcf h ALA 13 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3pcf h ALA 13 CO 0.54 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.66 3pcf n GLY 14 N -0.11 -1.63 0.19 0.00 0.00 -1.26 -4.17 105.19 98.20 3pcf n GLY 14 Ca -0.01 -1.54 0.04 0.00 0.00 0.00 0.00 46.02 44.50 3pcf n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pcf h PRO 15 N 0.00 0.00 -0.80 1.61 0.13 -1.93 -3.21 132.00 127.80 3pcf h PRO 15 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 3pcf h PRO 15 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 3pcf h PRO 15 CO 0.00 0.38 0.09 0.66 -0.23 0.00 0.00 178.00 178.90 3pcf n TYR 16 N -3.85 1.40 -0.19 1.56 4.01 -1.26 -4.47 117.16 114.36 3pcf n TYR 16 Ca -0.01 -0.64 0.25 0.00 -0.16 0.00 0.00 57.90 57.34 3pcf n TYR 16 Cb 0.45 -0.42 0.64 0.00 -0.31 0.00 0.00 39.34 39.70 3pcf n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pcf h VAL 17 N 2.01 0.61 -0.76 -0.72 3.04 -1.71 0.54 116.25 119.26 3pcf h VAL 17 Ca 0.09 -0.05 0.09 0.00 -1.01 0.00 0.00 66.70 65.81 3pcf h VAL 17 Cb 1.57 0.45 -0.05 0.00 -2.01 0.00 0.00 31.29 31.24 3pcf h VAL 17 CO 0.38 0.03 0.50 0.45 -1.01 0.00 0.00 177.57 177.92 3pcf h HIS 18 N 0.15 0.75 -0.17 3.17 3.86 -1.85 -1.10 115.15 119.95 3pcf h HIS 18 Ca 0.43 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.68 3pcf h HIS 18 Cb 1.47 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.69 3pcf h HIS 18 CO -0.00 0.37 0.11 -0.84 0.86 0.00 0.00 177.93 178.43 3pcf h ILE 19 N 0.72 1.01 0.04 2.45 3.07 -1.13 -0.97 117.51 122.70 3pcf h ILE 19 Ca 0.34 -0.06 -0.38 0.00 1.55 0.00 0.00 64.86 66.31 3pcf h ILE 19 Cb 0.39 0.82 -0.05 0.00 -0.27 0.00 0.00 36.82 37.71 3pcf h ILE 19 CO -0.12 0.03 -2.30 0.61 -1.05 0.00 0.00 178.15 175.32 3pcf n GLY 20 N -1.53 -0.45 0.30 0.16 0.00 -0.79 -4.63 105.19 98.27 3pcf n GLY 20 Ca -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.85 3pcf n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pcf n LEU 21 N -3.33 1.53 -2.78 0.99 4.77 -0.49 -4.79 117.00 112.90 3pcf n LEU 21 Ca -0.40 -0.91 -0.09 0.00 -0.03 0.00 0.00 56.01 54.57 3pcf n LEU 21 Cb 1.01 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.16 3pcf n LEU 21 CO 0.33 0.30 0.20 0.00 -1.33 0.00 0.00 177.39 176.88 3pcf n ALA 22 N 0.22 -0.95 -0.22 -1.18 0.00 -0.40 -4.97 120.51 113.01 3pcf n ALA 22 Ca 0.05 -1.58 -0.01 0.00 0.00 0.00 0.00 53.44 51.89 3pcf n ALA 22 Cb 0.21 -1.25 0.05 0.00 0.00 0.00 0.00 19.45 18.46 3pcf n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pcf h LEU 23 N 3.72 -0.80 0.03 0.00 4.07 -1.75 -1.71 115.31 118.87 3pcf h LEU 23 Ca -0.12 0.21 0.02 0.00 0.08 0.00 0.00 57.88 58.07 3pcf h LEU 23 Cb 1.04 0.47 -0.05 0.00 1.08 0.00 0.00 40.66 43.20 3pcf h LEU 23 CO 0.29 -0.25 -0.52 1.05 -1.08 0.00 0.00 178.44 177.93 3pcf h GLU 24 N -0.05 -0.66 -0.97 1.13 -0.00 -1.87 -1.28 114.58 110.88 3pcf h GLU 24 Ca 0.30 0.05 0.25 0.00 -0.00 0.00 0.00 59.36 59.95 3pcf h GLU 24 Cb 0.52 0.15 -0.13 0.00 -0.00 0.00 0.00 28.75 29.29 3pcf h GLU 24 CO -0.70 -0.44 0.52 0.00 -0.00 0.00 0.00 179.01 178.39 3pcf h ALA 25 N -0.39 1.69 0.00 1.06 0.00 -1.68 1.82 119.26 121.76 3pcf h ALA 25 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3pcf h ALA 25 Cb 0.73 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3pcf h ALA 25 CO -0.33 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 178.58 3pcf h ALA 26 N 1.74 1.00 -1.24 0.00 0.00 -0.60 -3.46 119.26 116.70 3pcf h ALA 26 Ca 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.51 3pcf h ALA 26 Cb 1.23 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.03 3pcf h ALA 26 CO -0.51 0.00 -0.05 0.41 0.00 0.00 0.00 179.25 179.09 3pcf n GLY 27 N -0.45 0.76 3.49 0.00 0.00 0.62 -4.99 105.19 104.62 3pcf n GLY 27 Ca -0.01 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 3pcf n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pcf s ASN 28 N -3.01 3.75 0.39 1.61 0.01 -0.55 -5.04 114.94 112.10 3pcf s ASN 28 Ca 0.04 -0.84 -0.28 0.00 -0.71 0.00 0.00 52.86 51.08 3pcf s ASN 28 Cb -0.02 -0.42 -0.11 0.00 0.41 0.00 0.00 41.25 41.12 3pcf s ASN 28 CO 0.05 0.08 1.48 -0.81 -1.51 0.00 0.00 177.10 176.39 3pcf n PRO 29 N -0.15 2.59 -2.77 -0.60 -0.04 -1.26 -3.94 135.00 128.83 3pcf n PRO 29 Ca -0.09 0.91 -0.23 0.00 -0.04 0.00 0.00 63.50 64.05 3pcf n PRO 29 Cb 0.57 -2.66 0.02 0.00 -0.04 0.00 0.00 33.50 31.40 3pcf n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3pcf s THR 30 N -1.13 3.44 0.60 0.52 -4.23 -1.26 -4.87 115.64 108.71 3pcf s THR 30 Ca 0.55 -0.49 0.02 0.00 -1.18 0.00 0.00 61.69 60.58 3pcf s THR 30 Cb -0.47 -3.29 0.07 0.00 1.34 0.00 0.00 72.50 70.14 3pcf s THR 30 CO 0.63 -0.22 0.84 -0.13 -0.54 0.00 0.00 174.62 175.20 3pcf s ARG 31 N -4.70 2.24 0.14 3.99 0.52 -1.26 -5.01 118.95 114.87 3pcf s ARG 31 Ca 0.52 -1.00 -0.20 0.00 -0.52 0.00 0.00 55.73 54.54 3pcf s ARG 31 Cb -0.10 -2.46 0.01 0.00 0.52 0.00 0.00 34.95 32.92 3pcf s ARG 31 CO 0.39 -0.96 1.68 -0.44 0.02 0.00 0.00 175.30 176.00 3pcf h ASP 32 N -0.10 -0.32 -3.31 0.23 3.32 -2.07 -3.40 116.42 110.78 3pcf h ASP 32 Ca -0.39 0.09 -0.66 0.00 0.02 0.00 0.00 57.03 56.09 3pcf h ASP 32 Cb 1.29 0.19 -0.29 0.00 0.22 0.00 0.00 39.33 40.74 3pcf h ASP 32 CO 0.47 -0.12 -0.79 -1.10 -1.72 0.00 0.00 179.24 175.98 3pcf s GLN 33 N -6.19 3.29 0.01 3.56 -0.21 -1.26 -5.11 119.66 113.74 3pcf s GLN 33 Ca -0.14 -0.72 0.02 0.00 0.02 0.00 0.00 55.36 54.54 3pcf s GLN 33 Cb 0.12 -2.63 -0.01 0.00 1.00 0.00 0.00 33.01 31.49 3pcf s GLN 33 CO 0.69 0.10 -0.06 -1.21 -2.12 0.00 0.00 175.29 172.69 3pcf s GLU 34 N 0.62 0.45 -0.36 2.91 0.41 -1.26 -5.12 118.70 116.35 3pcf s GLU 34 Ca -0.08 -0.36 -0.23 0.00 -0.41 0.00 0.00 54.97 53.89 3pcf s GLU 34 Cb -0.16 -0.36 0.01 0.00 -1.78 0.00 0.00 34.13 31.84 3pcf s GLU 34 CO 0.03 0.09 0.77 0.42 -0.49 0.00 0.00 175.26 176.08 3pcf s ILE 35 N -0.52 4.75 0.00 -1.63 1.01 -1.26 -5.00 121.20 118.55 3pcf s ILE 35 Ca -0.02 0.87 0.00 0.00 0.00 0.00 0.00 60.65 61.50 3pcf s ILE 35 Cb -0.05 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.23 3pcf s ILE 35 CO -0.00 -0.41 0.00 1.87 0.00 0.00 0.00 174.94 176.40 3pcf n TRP 36 N 6.37 0.00 -0.09 3.97 -0.00 -1.26 -4.64 117.44 121.80 3pcf n TRP 36 Ca 0.03 0.00 0.07 0.00 -0.00 0.00 0.00 57.50 57.59 3pcf n TRP 36 Cb 0.48 0.00 0.27 0.00 -0.00 0.00 0.00 31.31 32.06 3pcf n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pcf n ASN 37 N 0.00 3.76 -4.09 5.87 6.94 -0.20 -1.46 115.26 126.08 3pcf n ASN 37 Ca 0.00 -2.38 -0.36 0.00 -0.02 0.00 0.00 54.58 51.82 3pcf n ASN 37 Cb 0.00 -0.52 -0.10 0.00 -2.36 0.00 0.00 39.78 36.81 3pcf n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pcf s ARG 38 N -1.85 2.58 0.24 -3.83 6.06 -1.26 -0.29 118.95 120.60 3pcf s ARG 38 Ca 0.38 -2.59 0.09 0.00 -2.50 0.00 0.00 55.73 51.11 3pcf s ARG 38 Cb 0.25 -3.72 0.26 0.00 0.06 0.00 0.00 34.95 31.80 3pcf s ARG 38 CO 0.17 -1.18 1.55 -0.07 -2.50 0.00 0.00 175.30 173.28 3pcf h LEU 39 N 6.93 0.06 -8.60 -0.88 4.07 -0.62 -3.45 115.31 112.81 3pcf h LEU 39 Ca -0.01 -0.04 -0.64 0.00 0.08 0.00 0.00 57.88 57.27 3pcf h LEU 39 Cb 0.94 -0.02 -0.27 0.00 1.08 0.00 0.00 40.66 42.39 3pcf h LEU 39 CO 0.71 0.71 -0.87 0.00 -1.08 0.00 0.00 178.44 177.92 3pcf s ALA 40 N -3.51 1.99 0.30 1.53 0.00 -1.19 -0.08 121.76 120.80 3pcf s ALA 40 Ca -0.02 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 3pcf s ALA 40 Cb 0.12 -0.44 -0.08 0.00 0.00 0.00 0.00 23.12 22.73 3pcf s ALA 40 CO 0.78 0.47 0.66 0.15 0.00 0.00 0.00 175.76 177.82 3pcf s LYS 41 N -0.97 3.86 0.46 0.00 1.02 0.29 -4.83 119.74 119.56 3pcf s LYS 41 Ca 0.09 0.43 0.27 0.00 0.02 0.00 0.00 55.97 56.79 3pcf s LYS 41 Cb -0.09 -2.52 1.32 0.00 -0.52 0.00 0.00 37.83 36.03 3pcf s LYS 41 CO 0.01 0.18 1.75 -1.00 -0.92 0.00 0.00 175.35 175.37 3pcf h PRO 42 N 2.10 0.20 -0.81 -1.68 0.13 -2.00 0.17 132.00 130.11 3pcf h PRO 42 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3pcf h PRO 42 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3pcf h PRO 42 CO 0.66 0.13 0.00 -0.40 -0.23 0.00 0.00 178.00 178.16 3pcf n ASP 43 N -4.47 2.95 -4.83 1.44 5.75 -1.26 -4.90 116.55 111.23 3pcf n ASP 43 Ca 0.28 -2.38 -0.36 0.00 -0.01 0.00 0.00 54.79 52.32 3pcf n ASP 43 Cb 1.13 -0.57 -0.06 0.00 -1.03 0.00 0.00 41.12 40.59 3pcf n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcf s ALA 44 N -1.73 3.52 0.63 2.12 0.00 0.59 -5.05 121.76 121.83 3pcf s ALA 44 Ca 0.23 -0.00 -0.16 0.00 0.00 0.00 0.00 51.96 52.02 3pcf s ALA 44 Cb 0.17 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 3pcf s ALA 44 CO 0.07 0.40 1.11 -1.25 0.00 0.00 0.00 175.76 176.09 3pcf s PRO 45 N -1.88 2.97 0.00 0.00 0.04 -1.26 -4.91 135.00 129.96 3pcf s PRO 45 Ca 0.39 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.84 3pcf s PRO 45 Cb -0.16 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.41 3pcf s PRO 45 CO 0.20 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.53 3pcf n GLY 46 N -0.44 1.82 3.55 0.56 0.00 -1.26 -4.64 105.19 104.77 3pcf n GLY 46 Ca 0.10 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 3pcf n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcf s GLU 47 N -1.88 3.44 0.19 1.61 2.12 -1.26 -4.92 118.70 117.99 3pcf s GLU 47 Ca 0.00 0.02 -0.31 0.00 0.36 0.00 0.00 54.97 55.03 3pcf s GLU 47 Cb 0.00 -4.02 -0.10 0.00 0.26 0.00 0.00 34.13 30.27 3pcf s GLU 47 CO 0.00 -1.52 1.57 -1.01 -0.54 0.00 0.00 175.26 173.76 3pcf s HIS 48 N 4.31 3.03 0.05 5.30 3.76 -1.26 -1.27 115.29 129.21 3pcf s HIS 48 Ca 0.37 0.65 -0.01 0.00 -0.15 0.00 0.00 55.06 55.91 3pcf s HIS 48 Cb -0.10 -3.95 -0.04 0.00 1.11 0.00 0.00 32.58 29.61 3pcf s HIS 48 CO 0.23 -3.44 -0.02 0.96 -0.85 0.00 0.00 174.74 171.62 3pcf s ILE 49 N 0.96 0.21 -0.11 0.60 -4.36 0.00 -4.69 121.20 113.81 3pcf s ILE 49 Ca 0.69 -1.73 0.02 0.00 -0.26 0.00 0.00 60.65 59.36 3pcf s ILE 49 Cb -0.44 -1.45 -0.01 0.00 1.25 0.00 0.00 42.46 41.81 3pcf s ILE 49 CO 0.33 -0.96 -0.17 -0.22 0.24 0.00 0.00 174.94 174.17 3pcf s LEU 50 N -2.84 2.53 0.01 0.37 2.96 -0.83 -1.72 118.68 119.16 3pcf s LEU 50 Ca 0.06 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 53.65 3pcf s LEU 50 Cb 0.07 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 3pcf s LEU 50 CO -0.10 0.19 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.20 3pcf s LEU 51 N 0.19 2.65 -0.01 -0.68 1.43 0.45 -1.38 118.68 121.34 3pcf s LEU 51 Ca -0.10 -0.34 -0.24 0.00 -1.03 0.00 0.00 54.13 52.42 3pcf s LEU 51 Cb -0.16 -1.54 0.05 0.00 0.03 0.00 0.00 46.19 44.57 3pcf s LEU 51 CO 0.06 0.29 0.52 -1.48 0.23 0.00 0.00 176.35 175.97 3pcf s LEU 52 N -1.19 -0.04 0.06 1.79 0.05 -0.75 -0.58 118.68 118.02 3pcf s LEU 52 Ca 0.14 0.36 -0.28 0.00 0.05 0.00 0.00 54.13 54.40 3pcf s LEU 52 Cb -0.11 2.05 0.09 0.00 -2.05 0.00 0.00 46.19 46.17 3pcf s LEU 52 CO 0.04 -0.60 1.13 -0.83 -0.55 0.00 0.00 176.35 175.54 3pcf s GLY 53 N -1.49 -0.33 0.22 -3.48 0.00 -1.04 -0.75 107.32 100.45 3pcf s GLY 53 Ca -0.10 0.42 0.11 0.00 0.00 0.00 0.00 44.72 45.15 3pcf s GLY 53 CO 0.05 0.07 -0.21 1.20 0.00 0.00 0.00 173.10 174.20 3pcf s GLN 54 N -2.83 1.52 -0.12 2.90 -0.21 -1.26 -1.25 119.66 118.40 3pcf s GLN 54 Ca 0.13 -1.58 0.03 0.00 0.02 0.00 0.00 55.36 53.96 3pcf s GLN 54 Cb 0.02 -1.71 0.00 0.00 1.00 0.00 0.00 33.01 32.32 3pcf s GLN 54 CO -0.01 0.35 -0.22 0.08 -2.12 0.00 0.00 175.29 173.37 3pcf s VAL 55 N -2.04 2.19 -0.06 1.09 1.01 -1.26 -1.55 120.40 119.78 3pcf s VAL 55 Ca 0.23 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.29 3pcf s VAL 55 Cb -0.06 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 3pcf s VAL 55 CO 0.11 0.55 -0.17 -0.31 0.00 0.00 0.00 175.10 175.28 3pcf s TYR 56 N 0.56 2.63 0.65 5.22 2.02 0.11 0.79 117.35 129.32 3pcf s TYR 56 Ca -0.13 -0.33 -0.08 0.00 -0.37 0.00 0.00 57.07 56.16 3pcf s TYR 56 Cb -0.17 -1.64 0.14 0.00 -0.40 0.00 0.00 41.96 39.90 3pcf s TYR 56 CO 0.04 0.05 0.88 -0.40 -1.57 0.00 0.00 175.55 174.55 3pcf n ASP 57 N 2.57 0.33 0.26 2.29 5.68 0.93 -0.77 116.55 127.84 3pcf n ASP 57 Ca -0.17 -1.48 0.14 0.00 -0.50 0.00 0.00 54.79 52.77 3pcf n ASP 57 Cb 0.52 -0.65 0.70 0.00 -1.14 0.00 0.00 41.12 40.55 3pcf n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3pcf h GLY 58 N -1.01 0.00 -0.37 6.12 0.00 -1.87 -2.12 103.07 103.82 3pcf h GLY 58 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3pcf h GLY 58 CO 0.23 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.47 3pcf n ASN 59 N -3.46 1.37 0.00 0.19 3.02 -1.26 -4.76 115.26 110.36 3pcf n ASN 59 Ca -0.01 -1.49 0.00 0.00 -0.03 0.00 0.00 54.58 53.05 3pcf n ASN 59 Cb 0.28 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 3pcf n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcf n GLY 60 N 1.15 0.56 3.88 7.41 0.00 -0.80 -5.05 105.19 112.34 3pcf n GLY 60 Ca 0.19 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3pcf n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pcf s HIS 61 N -2.00 3.43 0.31 1.61 3.76 -1.26 -4.80 115.29 116.35 3pcf s HIS 61 Ca 0.00 0.87 -0.29 0.00 -0.15 0.00 0.00 55.06 55.49 3pcf s HIS 61 Cb 0.00 -2.27 -0.10 0.00 1.11 0.00 0.00 32.58 31.32 3pcf s HIS 61 CO 0.00 0.20 1.23 -0.51 -0.85 0.00 0.00 174.74 174.81 3pcf s LEU 62 N -3.07 4.47 -0.52 0.89 1.43 -1.26 -0.05 118.68 120.58 3pcf s LEU 62 Ca 0.48 2.53 -0.16 0.00 -1.03 0.00 0.00 54.13 55.94 3pcf s LEU 62 Cb -0.11 -3.64 0.11 0.00 0.03 0.00 0.00 46.19 42.58 3pcf s LEU 62 CO 0.23 -0.39 0.47 -0.69 0.23 0.00 0.00 176.35 176.21 3pcf s VAL 63 N -1.12 5.20 -0.97 -1.59 1.01 0.24 -4.83 120.40 118.33 3pcf s VAL 63 Ca 0.47 -1.29 0.26 0.00 0.00 0.00 0.00 61.98 61.42 3pcf s VAL 63 Cb -0.37 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 31.82 3pcf s VAL 63 CO 0.48 -0.77 1.55 0.54 0.00 0.00 0.00 175.10 176.90 3pcf n ARG 64 N 5.30 0.02 -0.43 2.72 1.74 -1.26 -4.02 116.66 120.72 3pcf n ARG 64 Ca -0.13 0.01 0.06 0.00 -0.77 0.00 0.00 57.85 57.02 3pcf n ARG 64 Cb 0.42 -1.52 0.22 0.00 -1.02 0.00 0.00 32.46 30.56 3pcf n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pcf n ASP 65 N -1.55 3.20 -4.82 0.55 5.68 -1.26 -4.22 116.55 114.13 3pcf n ASP 65 Ca 0.06 -3.21 -0.33 0.00 -0.50 0.00 0.00 54.79 50.81 3pcf n ASP 65 Cb 0.34 -0.54 -0.03 0.00 -1.14 0.00 0.00 41.12 39.76 3pcf n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3pcf s SER 66 N -2.31 6.35 -0.07 -1.12 1.04 -1.26 -4.59 113.70 111.75 3pcf s SER 66 Ca 0.40 1.74 0.01 0.00 0.48 0.00 0.00 55.95 58.58 3pcf s SER 66 Cb 0.34 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.95 3pcf s SER 66 CO 0.05 -0.77 -0.07 0.12 0.98 0.00 0.00 173.24 173.55 3pcf s PHE 67 N -2.38 1.09 0.11 5.02 5.36 0.15 -2.33 117.98 125.00 3pcf s PHE 67 Ca 0.62 -0.40 0.10 0.00 -0.96 0.00 0.00 56.93 56.29 3pcf s PHE 67 Cb -0.13 -0.90 -0.04 0.00 -0.34 0.00 0.00 43.02 41.61 3pcf s PHE 67 CO 0.28 -0.29 -0.24 -0.51 -1.46 0.00 0.00 175.22 173.00 3pcf s LEU 68 N 1.09 2.30 -0.05 6.12 1.02 -0.20 -0.51 118.68 128.43 3pcf s LEU 68 Ca -0.08 -0.71 0.02 0.00 0.02 0.00 0.00 54.13 53.38 3pcf s LEU 68 Cb -0.14 -1.08 0.01 0.00 0.02 0.00 0.00 46.19 45.00 3pcf s LEU 68 CO -0.01 0.14 -0.10 -1.61 0.02 0.00 0.00 176.35 174.79 3pcf s GLU 69 N -1.93 1.32 0.15 1.70 2.02 -0.57 -1.62 118.70 119.78 3pcf s GLU 69 Ca 0.11 -0.31 0.11 0.00 0.02 0.00 0.00 54.97 54.89 3pcf s GLU 69 Cb -0.10 -1.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.94 3pcf s GLU 69 CO 0.05 0.02 -0.24 0.14 0.02 0.00 0.00 175.26 175.25 3pcf s VAL 70 N 0.62 2.39 -0.11 2.63 -7.23 -0.68 -1.08 120.40 116.94 3pcf s VAL 70 Ca -0.11 -1.83 -0.04 0.00 -1.81 0.00 0.00 61.98 58.19 3pcf s VAL 70 Cb -0.14 -2.10 0.05 0.00 0.56 0.00 0.00 36.38 34.75 3pcf s VAL 70 CO 0.02 0.01 0.15 0.86 -0.31 0.00 0.00 175.10 175.83 3pcf s TRP 71 N -1.31 -0.10 0.03 2.82 -0.11 -0.12 -2.28 118.94 117.86 3pcf s TRP 71 Ca 0.17 0.35 -0.03 0.00 1.22 0.00 0.00 56.10 57.81 3pcf s TRP 71 Cb -0.09 -0.38 -0.02 0.00 -1.50 0.00 0.00 33.47 31.48 3pcf s TRP 71 CO 0.08 -0.36 0.05 1.14 -4.62 0.00 0.00 176.95 173.24 3pcf s GLN 72 N 2.26 0.52 0.83 5.86 -2.07 0.03 -0.97 119.66 126.11 3pcf s GLN 72 Ca 0.04 -0.78 -0.12 0.00 -1.82 0.00 0.00 55.36 52.69 3pcf s GLN 72 Cb -0.13 0.19 0.09 0.00 -1.09 0.00 0.00 33.01 32.07 3pcf s GLN 72 CO -0.07 -0.11 1.11 0.00 -1.32 0.00 0.00 175.29 174.90 3pcf s ALA 73 N -2.47 2.14 0.99 2.60 0.00 -1.26 -4.46 121.76 119.29 3pcf s ALA 73 Ca -0.06 -0.33 -0.13 0.00 0.00 0.00 0.00 51.96 51.44 3pcf s ALA 73 Cb -0.02 -3.07 0.18 0.00 0.00 0.00 0.00 23.12 20.20 3pcf s ALA 73 CO -0.04 -1.88 1.04 -0.40 0.00 0.00 0.00 175.76 174.47 3pcf n ASP 74 N -3.52 0.10 0.33 0.00 5.68 0.11 -4.40 116.55 114.86 3pcf n ASP 74 Ca 0.07 -1.39 0.21 0.00 -0.50 0.00 0.00 54.79 53.18 3pcf n ASP 74 Cb 0.57 -0.79 1.15 0.00 -1.14 0.00 0.00 41.12 40.91 3pcf n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcf h ALA 75 N -1.80 1.11 -0.12 2.12 0.00 -1.83 0.25 119.26 118.99 3pcf h ALA 75 Ca -0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3pcf h ALA 75 Cb 0.93 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3pcf h ALA 75 CO 0.24 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.58 3pcf n ASN 76 N -3.24 1.88 -0.92 0.00 3.02 -1.26 -3.85 115.26 110.89 3pcf n ASN 76 Ca -0.03 -1.68 -0.05 0.00 -0.03 0.00 0.00 54.58 52.79 3pcf n ASN 76 Cb 0.08 -0.07 0.01 0.00 -0.61 0.00 0.00 39.78 39.19 3pcf n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcf n GLY 77 N 1.20 0.50 3.19 7.41 0.00 0.60 -4.78 105.19 113.32 3pcf n GLY 77 Ca 0.17 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 3pcf n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcf s GLU 78 N -4.92 2.31 -0.31 1.61 2.12 -1.24 -4.67 118.70 113.59 3pcf s GLU 78 Ca 0.08 -0.76 -0.26 0.00 0.36 0.00 0.00 54.97 54.40 3pcf s GLU 78 Cb -0.04 -1.91 0.01 0.00 0.26 0.00 0.00 34.13 32.45 3pcf s GLU 78 CO 0.10 0.26 0.91 0.71 -0.54 0.00 0.00 175.26 176.70 3pcf s TYR 79 N 0.07 3.18 -0.88 5.30 2.02 -1.26 0.08 117.35 125.87 3pcf s TYR 79 Ca -0.08 0.97 -0.17 0.00 -0.37 0.00 0.00 57.07 57.42 3pcf s TYR 79 Cb -0.14 -3.41 0.17 0.00 -0.40 0.00 0.00 41.96 38.18 3pcf s TYR 79 CO 0.04 -0.65 0.96 -0.65 -1.57 0.00 0.00 175.55 173.68 3pcf s GLN 80 N 3.24 3.59 0.17 -0.62 -1.52 -1.26 -4.88 119.66 118.37 3pcf s GLN 80 Ca 0.38 -2.07 0.08 0.00 -1.95 0.00 0.00 55.36 51.80 3pcf s GLN 80 Cb -0.13 -4.68 -0.06 0.00 -0.22 0.00 0.00 33.01 27.91 3pcf s GLN 80 CO 0.14 -1.55 1.36 0.38 -0.25 0.00 0.00 175.29 175.37 3pcf h ASP 81 N 8.37 0.00 -0.82 5.90 2.03 -1.97 -3.24 116.42 126.69 3pcf h ASP 81 Ca 0.12 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 56.08 3pcf h ASP 81 Cb 1.03 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.48 3pcf h ASP 81 CO 0.95 0.88 0.86 0.00 -1.03 0.00 0.00 179.24 180.89 3pcf s ALA 82 N -2.92 1.83 0.09 4.15 0.00 -1.26 -4.92 121.76 118.73 3pcf s ALA 82 Ca 0.01 -1.58 -0.31 0.00 0.00 0.00 0.00 51.96 50.08 3pcf s ALA 82 Cb 0.10 -4.54 -0.08 0.00 0.00 0.00 0.00 23.12 18.60 3pcf s ALA 82 CO 0.80 -4.62 1.47 -0.47 0.00 0.00 0.00 175.76 172.94 3pcf s TYR 83 N 9.32 2.99 -0.28 0.00 5.04 -1.26 -5.00 117.35 128.15 3pcf s TYR 83 Ca 0.66 0.76 -0.17 0.00 -2.44 0.00 0.00 57.07 55.89 3pcf s TYR 83 Cb -0.06 -3.77 0.10 0.00 0.35 0.00 0.00 41.96 38.58 3pcf s TYR 83 CO -0.01 -2.83 0.78 1.21 -1.34 0.00 0.00 175.55 173.36 3pcf s ASN 84 N 1.51 -0.80 0.61 4.32 3.84 -1.26 -5.03 114.94 118.13 3pcf s ASN 84 Ca 0.67 1.29 0.40 0.00 0.21 0.00 0.00 52.86 55.44 3pcf s ASN 84 Cb -0.37 1.33 2.06 0.00 -0.55 0.00 0.00 41.25 43.71 3pcf s ASN 84 CO 0.30 -0.21 2.22 -0.07 -2.79 0.00 0.00 177.10 176.56 3pcf h LEU 85 N 6.55 0.00 -0.54 3.21 3.38 -1.97 -1.00 115.31 124.94 3pcf h LEU 85 Ca -0.29 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 3pcf h LEU 85 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3pcf h LEU 85 CO 0.16 0.00 -0.48 -0.33 0.09 0.00 0.00 178.44 177.89 3pcf h GLU 86 N 0.00 0.00 -7.07 1.13 5.08 -2.00 -3.46 114.58 108.26 3pcf h GLU 86 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3pcf h GLU 86 Cb 0.15 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.55 3pcf h GLU 86 CO 0.00 0.48 0.57 0.09 -1.00 0.00 0.00 179.01 179.14 3pcf n ASN 87 N -3.42 2.45 0.11 1.42 3.02 -0.38 -4.92 115.26 113.54 3pcf n ASN 87 Ca 0.00 0.92 -0.03 0.00 -0.03 0.00 0.00 54.58 55.44 3pcf n ASN 87 Cb 0.62 -1.57 0.04 0.00 -0.61 0.00 0.00 39.78 38.27 3pcf n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pcf h ALA 88 N 1.05 0.67 -3.53 5.41 0.00 -1.89 -3.44 119.26 117.54 3pcf h ALA 88 Ca -0.51 -0.69 -0.26 0.00 0.00 0.00 0.00 54.91 53.46 3pcf h ALA 88 Cb 1.32 -0.12 -0.31 0.00 0.00 0.00 0.00 17.79 18.68 3pcf h ALA 88 CO 0.55 0.94 -0.69 0.12 0.00 0.00 0.00 179.25 180.18 3pcf s PHE 89 N -3.15 -0.03 -0.09 0.00 5.36 -1.26 0.11 117.98 118.91 3pcf s PHE 89 Ca 0.00 0.17 0.03 0.00 -0.96 0.00 0.00 56.93 56.18 3pcf s PHE 89 Cb 0.11 -0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.69 3pcf s PHE 89 CO 0.78 -0.07 -0.20 -0.80 -1.46 0.00 0.00 175.22 173.47 3pcf s ASN 90 N 0.64 2.66 0.50 6.13 0.01 0.88 -4.96 114.94 120.80 3pcf s ASN 90 Ca -0.05 -0.47 0.29 0.00 -0.71 0.00 0.00 52.86 51.92 3pcf s ASN 90 Cb -0.07 -1.22 1.03 0.00 0.41 0.00 0.00 41.25 41.40 3pcf s ASN 90 CO -0.02 0.12 1.86 0.28 -1.51 0.00 0.00 177.10 177.83 3pcf h SER 91 N 6.80 0.00 -3.40 -1.22 0.02 -1.77 -3.44 113.55 110.53 3pcf h SER 91 Ca -0.23 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.05 3pcf h SER 91 Cb 1.22 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.62 3pcf h SER 91 CO 0.47 0.06 -0.65 0.12 -1.14 0.00 0.00 176.83 175.69 3pcf s PHE 92 N -3.55 3.05 0.30 3.45 5.36 -1.26 -0.79 117.98 124.54 3pcf s PHE 92 Ca 0.02 0.07 -0.15 0.00 -0.96 0.00 0.00 56.93 55.91 3pcf s PHE 92 Cb 0.08 -1.67 0.02 0.00 -0.34 0.00 0.00 43.02 41.11 3pcf s PHE 92 CO 0.59 0.45 0.62 0.20 -1.46 0.00 0.00 175.22 175.62 3pcf s GLY 93 N -1.50 0.44 0.00 13.12 0.00 -0.97 -4.83 107.32 113.59 3pcf s GLY 93 Ca 0.19 -0.77 -0.03 0.00 0.00 0.00 0.00 44.72 44.11 3pcf s GLY 93 CO 0.09 -0.44 0.05 0.50 0.00 0.00 0.00 173.10 173.30 3pcf s ARG 94 N -3.47 0.33 0.20 2.90 0.52 -0.54 -1.68 118.95 117.21 3pcf s ARG 94 Ca 0.19 -0.39 -0.15 0.00 -0.52 0.00 0.00 55.73 54.86 3pcf s ARG 94 Cb -0.03 0.13 0.02 0.00 0.52 0.00 0.00 34.95 35.58 3pcf s ARG 94 CO 0.11 -0.07 0.48 -0.08 0.02 0.00 0.00 175.30 175.76 3pcf s THR 95 N -1.13 0.03 0.13 0.02 -1.32 -0.64 -1.04 115.64 111.69 3pcf s THR 95 Ca -0.12 -0.99 -0.10 0.00 -1.21 0.00 0.00 61.69 59.27 3pcf s THR 95 Cb -0.07 -1.73 0.00 0.00 -1.51 0.00 0.00 72.50 69.19 3pcf s THR 95 CO 0.00 -0.13 0.27 0.00 -2.21 0.00 0.00 174.62 172.55 3pcf s ALA 96 N -3.91 -0.28 0.07 11.08 0.00 -1.26 -1.04 121.76 126.42 3pcf s ALA 96 Ca 0.12 -0.61 -0.13 0.00 0.00 0.00 0.00 51.96 51.35 3pcf s ALA 96 Cb -0.00 0.66 -0.06 0.00 0.00 0.00 0.00 23.12 23.72 3pcf s ALA 96 CO -0.00 -0.59 0.45 0.95 0.00 0.00 0.00 175.76 176.56 3pcf s THR 97 N -3.89 5.00 0.35 0.00 -4.23 -0.98 -4.14 115.64 107.76 3pcf s THR 97 Ca 0.09 0.69 -0.28 0.00 -1.18 0.00 0.00 61.69 61.01 3pcf s THR 97 Cb 0.04 -3.70 -0.10 0.00 1.34 0.00 0.00 72.50 70.08 3pcf s THR 97 CO -0.07 0.37 1.28 0.42 -0.54 0.00 0.00 174.62 176.08 3pcf s THR 98 N -1.32 2.77 0.08 3.99 -4.23 -1.06 -4.67 115.64 111.20 3pcf s THR 98 Ca 0.31 0.74 0.33 0.00 -1.18 0.00 0.00 61.69 61.90 3pcf s THR 98 Cb -0.15 -3.46 0.37 0.00 1.34 0.00 0.00 72.50 70.60 3pcf s THR 98 CO 0.17 0.15 1.99 -0.26 -0.54 0.00 0.00 174.62 176.13 3pcf h PHE 99 N 3.16 0.00 0.00 3.99 0.04 -1.94 0.62 116.94 122.80 3pcf h PHE 99 Ca -0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.28 3pcf h PHE 99 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 3pcf h PHE 99 CO 0.55 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.86 3pcf n ASP 100 N -2.90 0.00 -0.22 2.17 5.75 -1.26 -4.63 116.55 115.45 3pcf n ASP 100 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 54.94 3pcf n ASP 100 Cb 0.24 0.00 0.46 0.00 -1.03 0.00 0.00 41.12 40.80 3pcf n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcf h ALA 101 N -2.00 2.05 -0.47 2.12 0.00 -1.99 -3.46 119.26 115.51 3pcf h ALA 101 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3pcf h ALA 101 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3pcf h ALA 101 CO 0.00 -0.29 -0.06 0.41 0.00 0.00 0.00 179.25 179.31 3pcf n GLY 102 N -1.49 0.36 3.46 0.00 0.00 0.21 -4.95 105.19 102.77 3pcf n GLY 102 Ca 0.17 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 3pcf n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcf s GLU 103 N -4.25 2.85 0.14 1.61 2.12 -1.26 -4.30 118.70 115.61 3pcf s GLU 103 Ca 0.01 -0.67 0.04 0.00 0.36 0.00 0.00 54.97 54.71 3pcf s GLU 103 Cb -0.00 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 3pcf s GLU 103 CO 0.01 0.48 0.15 1.67 -0.54 0.00 0.00 175.26 177.03 3pcf s TRP 104 N -0.36 3.22 0.03 5.30 1.48 -0.38 -2.57 118.94 125.66 3pcf s TRP 104 Ca 0.04 0.03 0.00 0.00 -1.06 0.00 0.00 56.10 55.11 3pcf s TRP 104 Cb -0.12 -1.57 -0.03 0.00 -1.16 0.00 0.00 33.47 30.59 3pcf s TRP 104 CO 0.02 0.52 -0.04 0.95 -4.06 0.00 0.00 176.95 174.35 3pcf s THR 105 N -1.66 0.23 -0.05 0.66 -4.23 -1.26 -2.51 115.64 106.82 3pcf s THR 105 Ca 0.31 -1.14 -0.03 0.00 -1.18 0.00 0.00 61.69 59.65 3pcf s THR 105 Cb -0.11 -0.60 0.02 0.00 1.34 0.00 0.00 72.50 73.15 3pcf s THR 105 CO 0.24 -0.58 0.13 -0.22 -0.54 0.00 0.00 174.62 173.65 3pcf s LEU 106 N -1.80 1.20 -0.35 4.79 2.96 0.25 -4.83 118.68 120.89 3pcf s LEU 106 Ca -0.10 0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.98 3pcf s LEU 106 Cb -0.06 0.38 0.03 0.00 0.50 0.00 0.00 46.19 47.03 3pcf s LEU 106 CO -0.02 -0.09 0.16 -1.00 -1.32 0.00 0.00 176.35 174.08 3pcf s HIS 107 N 0.54 3.24 0.00 5.38 3.76 0.60 -0.41 115.29 128.39 3pcf s HIS 107 Ca -0.04 -1.08 0.00 0.00 -0.15 0.00 0.00 55.06 53.79 3pcf s HIS 107 Cb -0.05 -2.37 0.00 0.00 1.11 0.00 0.00 32.58 31.27 3pcf s HIS 107 CO -0.02 -0.66 0.00 -2.37 -0.85 0.00 0.00 174.74 170.84 3pcf n THR 108 N 4.93 0.00 -4.33 1.30 5.66 -0.70 0.10 114.28 121.24 3pcf n THR 108 Ca -0.12 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.67 3pcf n THR 108 Cb 0.46 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.13 3pcf n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pcf s VAL 109 N -2.26 1.77 -0.02 1.08 -7.23 -1.26 -0.82 120.40 111.67 3pcf s VAL 109 Ca 0.00 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 57.92 3pcf s VAL 109 Cb 0.00 -1.85 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 3pcf s VAL 109 CO 0.00 -0.37 1.45 -0.75 -0.31 0.00 0.00 175.10 175.12 3pcf s LYS 110 N -2.92 4.25 0.45 4.82 2.20 -0.40 -4.88 119.74 123.26 3pcf s LYS 110 Ca 0.16 2.00 -0.25 0.00 -0.36 0.00 0.00 55.97 57.53 3pcf s LYS 110 Cb -0.05 -3.66 -0.08 0.00 -1.51 0.00 0.00 37.83 32.53 3pcf s LYS 110 CO 0.06 -0.65 1.35 -1.25 -0.36 0.00 0.00 175.35 174.51 3pcf s PRO 111 N 2.79 3.73 0.79 4.03 0.04 -1.26 -4.08 135.00 141.04 3pcf s PRO 111 Ca 0.65 2.25 -0.09 0.00 0.04 0.00 0.00 61.00 63.85 3pcf s PRO 111 Cb -0.32 -2.63 0.12 0.00 0.04 0.00 0.00 34.50 31.71 3pcf s PRO 111 CO 0.26 -0.72 1.12 0.20 0.04 0.00 0.00 177.00 177.90 3pcf s GLY 112 N -0.71 1.72 0.19 0.56 0.00 0.32 -4.70 107.32 104.70 3pcf s GLY 112 Ca 0.61 -1.13 -0.30 0.00 0.00 0.00 0.00 44.72 43.90 3pcf s GLY 112 CO 0.51 -0.58 1.09 0.14 0.00 0.00 0.00 173.10 174.26 3pcf s VAL 113 N -3.45 3.82 0.14 1.40 1.01 -1.26 -4.32 120.40 117.74 3pcf s VAL 113 Ca 0.66 1.62 0.07 0.00 0.00 0.00 0.00 61.98 64.33 3pcf s VAL 113 Cb -0.08 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3pcf s VAL 113 CO 0.48 0.30 -0.17 0.68 0.00 0.00 0.00 175.10 176.39 3pcf s VAL 114 N -0.42 1.59 0.06 2.92 -7.23 -1.25 -4.51 120.40 111.57 3pcf s VAL 114 Ca 0.48 -1.77 -0.02 0.00 -1.81 0.00 0.00 61.98 58.87 3pcf s VAL 114 Cb -0.30 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 3pcf s VAL 114 CO 0.36 -0.32 0.24 0.20 -0.31 0.00 0.00 175.10 175.26 3pcf s ASN 115 N -2.46 6.39 1.01 4.85 0.01 -1.26 0.14 114.94 123.62 3pcf s ASN 115 Ca 0.11 0.35 -0.16 0.00 -0.71 0.00 0.00 52.86 52.45 3pcf s ASN 115 Cb -0.06 -1.99 0.21 0.00 0.41 0.00 0.00 41.25 39.82 3pcf s ASN 115 CO 0.05 0.17 1.27 0.54 -1.51 0.00 0.00 177.10 177.61 3pcf s ASN 116 N -2.38 2.71 0.49 -1.22 4.22 0.50 -4.82 114.94 114.44 3pcf s ASN 116 Ca 0.35 0.38 0.20 0.00 -2.14 0.00 0.00 52.86 51.64 3pcf s ASN 116 Cb -0.13 -0.49 1.24 0.00 1.28 0.00 0.00 41.25 43.15 3pcf s ASN 116 CO 0.26 -3.00 2.00 0.00 -2.04 0.00 0.00 177.10 174.32 3pcf h ALA 117 N -1.82 2.26 -0.03 3.54 0.00 -1.99 0.26 119.26 121.47 3pcf h ALA 117 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3pcf h ALA 117 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3pcf h ALA 117 CO 0.39 -0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3pcf n ALA 118 N -2.58 2.59 -1.07 0.00 0.00 -1.26 -4.88 120.51 113.30 3pcf n ALA 118 Ca 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.31 3pcf n ALA 118 Cb 0.46 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 3pcf n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcf n GLY 119 N 0.83 0.58 3.72 0.00 0.00 0.91 -5.02 105.19 106.21 3pcf n GLY 119 Ca 0.13 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 3pcf n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcf s VAL 120 N -2.04 5.33 0.36 1.61 1.01 -1.25 -4.76 120.40 120.66 3pcf s VAL 120 Ca 0.00 0.43 -0.27 0.00 0.00 0.00 0.00 61.98 62.14 3pcf s VAL 120 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 3pcf s VAL 120 CO 0.00 0.39 1.19 -2.16 0.00 0.00 0.00 175.10 174.52 3pcf s PRO 121 N 0.56 4.22 0.05 2.72 0.04 -1.26 0.19 135.00 141.51 3pcf s PRO 121 Ca 0.14 1.92 0.02 0.00 0.04 0.00 0.00 61.00 63.11 3pcf s PRO 121 Cb -0.13 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 3pcf s PRO 121 CO 0.03 -0.20 0.08 -1.64 0.04 0.00 0.00 177.00 175.31 3pcf s MET 122 N -2.04 2.95 0.66 4.56 -1.94 0.12 -4.44 119.30 119.16 3pcf s MET 122 Ca 0.53 -0.61 -0.16 0.00 -1.71 0.00 0.00 55.69 53.74 3pcf s MET 122 Cb -0.33 -2.77 -0.00 0.00 2.01 0.00 0.00 34.83 33.74 3pcf s MET 122 CO 0.42 0.60 1.13 0.00 -0.01 0.00 0.00 175.02 177.16 3pcf s ALA 123 N -1.31 2.44 0.12 3.03 0.00 -1.26 -3.90 121.76 120.88 3pcf s ALA 123 Ca 0.27 0.63 -0.35 0.00 0.00 0.00 0.00 51.96 52.51 3pcf s ALA 123 Cb -0.12 -3.35 -0.16 0.00 0.00 0.00 0.00 23.12 19.49 3pcf s ALA 123 CO 0.19 -1.31 1.25 -2.30 0.00 0.00 0.00 175.76 173.59 3pcf n PRO 124 N -2.33 1.11 -3.69 0.00 -0.02 -1.26 -4.86 135.00 123.95 3pcf n PRO 124 Ca 0.11 0.40 -0.10 0.00 -2.02 0.00 0.00 63.50 61.89 3pcf n PRO 124 Cb 0.52 -1.97 -0.04 0.00 -0.02 0.00 0.00 33.50 31.99 3pcf n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pcf s HIS 125 N 0.17 -0.15 -0.10 6.00 -3.43 -1.26 -4.35 115.29 112.16 3pcf s HIS 125 Ca 0.80 -0.18 0.04 0.00 -0.80 0.00 0.00 55.06 54.92 3pcf s HIS 125 Cb -0.92 0.31 0.00 0.00 -1.43 0.00 0.00 32.58 30.55 3pcf s HIS 125 CO 0.49 -0.80 -0.23 0.42 -2.00 0.00 0.00 174.74 172.62 3pcf s ILE 126 N -3.84 1.99 -0.10 -5.38 1.01 -0.66 -4.60 121.20 109.61 3pcf s ILE 126 Ca 0.06 -0.97 -0.22 0.00 0.00 0.00 0.00 60.65 59.52 3pcf s ILE 126 Cb 0.01 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 3pcf s ILE 126 CO -0.07 0.54 0.66 0.20 0.00 0.00 0.00 174.94 176.27 3pcf s ASN 127 N 0.42 6.89 -0.02 3.58 0.01 -0.15 -0.31 114.94 125.37 3pcf s ASN 127 Ca -0.17 1.07 0.06 0.00 -0.71 0.00 0.00 52.86 53.11 3pcf s ASN 127 Cb -0.18 -2.38 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 3pcf s ASN 127 CO 0.07 -0.13 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.70 3pcf s ILE 128 N 1.00 1.55 -0.12 0.60 1.01 0.40 -0.95 121.20 124.70 3pcf s ILE 128 Ca 0.34 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 60.18 3pcf s ILE 128 Cb -0.17 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.02 3pcf s ILE 128 CO 0.15 0.44 -0.20 -0.44 0.00 0.00 0.00 174.94 174.89 3pcf s SER 129 N -0.43 2.87 -0.14 3.58 0.01 -0.24 -1.02 113.70 118.32 3pcf s SER 129 Ca 0.07 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.78 3pcf s SER 129 Cb -0.08 -1.32 -0.02 0.00 0.21 0.00 0.00 66.02 64.82 3pcf s SER 129 CO -0.01 0.08 -0.10 -0.22 0.41 0.00 0.00 173.24 173.41 3pcf s LEU 130 N 0.72 2.88 0.07 2.44 2.96 -0.01 -1.51 118.68 126.23 3pcf s LEU 130 Ca -0.10 -0.27 0.06 0.00 -0.22 0.00 0.00 54.13 53.59 3pcf s LEU 130 Cb -0.16 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3pcf s LEU 130 CO 0.01 0.16 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.68 3pcf s PHE 131 N 0.39 1.42 0.00 5.38 0.40 0.33 -1.57 117.98 124.32 3pcf s PHE 131 Ca -0.08 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 3pcf s PHE 131 Cb -0.15 -0.80 0.00 0.00 0.51 0.00 0.00 43.02 42.57 3pcf s PHE 131 CO 0.05 0.09 0.00 0.00 0.70 0.00 0.00 175.22 176.06 3pcf n ALA 132 N 1.44 0.00 -1.76 5.36 0.00 -1.26 -0.68 120.51 123.60 3pcf n ALA 132 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 3pcf n ALA 132 Cb 0.54 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.01 3pcf n ALA 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3pcf s ARG 133 N -2.00 3.60 0.00 0.00 1.70 -1.25 -1.05 118.95 119.95 3pcf s ARG 133 Ca 0.00 2.39 0.00 0.00 -0.47 0.00 0.00 55.73 57.65 3pcf s ARG 133 Cb 0.00 -2.59 0.00 0.00 -0.57 0.00 0.00 34.95 31.79 3pcf s ARG 133 CO 0.00 -0.88 0.00 0.41 -1.08 0.00 0.00 175.30 173.75 3pcf n GLY 134 N 0.60 2.66 3.30 3.88 0.00 -1.26 -4.95 105.19 109.43 3pcf n GLY 134 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3pcf n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pcf s ILE 135 N -2.27 4.67 0.22 -0.61 1.01 -0.22 -4.96 121.20 119.03 3pcf s ILE 135 Ca 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 60.65 59.26 3pcf s ILE 135 Cb 0.00 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.60 3pcf s ILE 135 CO 0.00 -0.62 1.61 0.78 0.00 0.00 0.00 174.94 176.71 3pcf h ASN 136 N 8.58 0.70 -3.51 3.58 2.35 -1.90 -3.32 115.58 122.06 3pcf h ASN 136 Ca -0.25 -0.28 -0.30 0.00 -0.55 0.00 0.00 56.30 54.91 3pcf h ASN 136 Cb 1.09 -0.19 -0.34 0.00 0.05 0.00 0.00 38.32 38.93 3pcf h ASN 136 CO 0.85 0.97 -0.73 -0.51 -1.65 0.00 0.00 177.43 176.36 3pcf s ILE 137 N -4.42 -0.06 0.66 2.81 2.07 -1.26 -3.01 121.20 117.99 3pcf s ILE 137 Ca -0.08 0.23 -0.17 0.00 -1.41 0.00 0.00 60.65 59.21 3pcf s ILE 137 Cb 0.13 -0.09 -0.03 0.00 0.13 0.00 0.00 42.46 42.60 3pcf s ILE 137 CO 0.83 0.09 0.88 0.00 -1.91 0.00 0.00 174.94 174.84 3pcf n HIS 138 N 4.24 0.47 -4.25 3.50 1.44 -1.26 -4.99 115.22 114.37 3pcf n HIS 138 Ca -0.27 0.41 -0.34 0.00 -2.01 0.00 0.00 57.72 55.50 3pcf n HIS 138 Cb 0.50 -2.08 -0.10 0.00 0.12 0.00 0.00 29.99 28.43 3pcf n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3pcf s LEU 139 N -2.06 3.58 0.08 2.39 1.43 -0.61 -4.90 118.68 118.59 3pcf s LEU 139 Ca 0.74 0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.80 3pcf s LEU 139 Cb -0.38 -1.86 -0.06 0.00 0.03 0.00 0.00 46.19 43.92 3pcf s LEU 139 CO 0.50 0.25 0.39 -1.00 0.23 0.00 0.00 176.35 176.71 3pcf s HIS 140 N -0.11 3.57 0.30 0.29 3.76 -1.26 -0.83 115.29 121.01 3pcf s HIS 140 Ca 0.05 0.74 -0.19 0.00 -0.15 0.00 0.00 55.06 55.51 3pcf s HIS 140 Cb -0.13 -2.12 0.02 0.00 1.11 0.00 0.00 32.58 31.46 3pcf s HIS 140 CO 0.02 0.51 0.70 -0.08 -0.85 0.00 0.00 174.74 175.04 3pcf s THR 141 N -1.43 0.00 0.06 1.30 -1.32 -0.19 -1.10 115.64 112.96 3pcf s THR 141 Ca 0.34 -1.06 0.06 0.00 -1.21 0.00 0.00 61.69 59.82 3pcf s THR 141 Cb -0.14 -2.19 -0.03 0.00 -1.51 0.00 0.00 72.50 68.64 3pcf s THR 141 CO 0.19 0.00 -0.17 -0.13 -2.21 0.00 0.00 174.62 172.30 3pcf s ARG 142 N -3.64 1.06 -0.19 7.08 0.52 -1.26 -0.46 118.95 122.07 3pcf s ARG 142 Ca 0.14 -0.93 -0.03 0.00 -0.52 0.00 0.00 55.73 54.38 3pcf s ARG 142 Cb -0.05 -1.15 -0.02 0.00 0.52 0.00 0.00 34.95 34.25 3pcf s ARG 142 CO 0.08 0.28 -0.05 -1.17 0.02 0.00 0.00 175.30 174.46 3pcf s LEU 143 N -1.44 2.99 0.40 2.53 0.20 0.57 -4.75 118.68 119.18 3pcf s LEU 143 Ca 0.03 -0.30 0.08 0.00 0.69 0.00 0.00 54.13 54.63 3pcf s LEU 143 Cb -0.09 -1.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 3pcf s LEU 143 CO 0.02 0.06 0.20 -0.31 -0.29 0.00 0.00 176.35 176.03 3pcf s TYR 144 N 1.00 2.65 -0.14 5.38 1.51 0.83 -1.66 117.35 126.92 3pcf s TYR 144 Ca 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 3pcf s TYR 144 Cb -0.15 -1.92 -0.01 0.00 -0.11 0.00 0.00 41.96 39.78 3pcf s TYR 144 CO 0.00 0.17 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.42 3pcf s PHE 145 N -2.54 2.79 0.63 2.71 0.40 -1.26 0.29 117.98 121.01 3pcf s PHE 145 Ca 0.41 -0.80 0.36 0.00 -0.60 0.00 0.00 56.93 56.30 3pcf s PHE 145 Cb 0.01 -1.86 2.01 0.00 0.51 0.00 0.00 43.02 43.69 3pcf s PHE 145 CO 0.23 -0.32 2.23 0.38 0.70 0.00 0.00 175.22 178.45 3pcf h ASP 146 N 6.94 0.00 -0.19 1.36 2.03 -1.40 -1.38 116.42 123.79 3pcf h ASP 146 Ca -0.28 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.02 3pcf h ASP 146 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 3pcf h ASP 146 CO 0.56 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.87 3pcf n ASP 147 N -3.42 1.45 -2.21 4.15 5.68 -1.26 -3.74 116.55 117.20 3pcf n ASP 147 Ca -0.02 -2.08 -0.19 0.00 -0.50 0.00 0.00 54.79 52.01 3pcf n ASP 147 Cb 0.17 -0.27 0.03 0.00 -1.14 0.00 0.00 41.12 39.91 3pcf n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pcf n GLU 148 N 0.11 3.19 -0.16 0.11 -0.58 -0.52 -4.88 120.64 117.90 3pcf n GLU 148 Ca 0.07 -4.02 -0.03 0.00 -0.42 0.00 0.00 57.16 52.75 3pcf n GLU 148 Cb 0.28 -2.13 0.03 0.00 -0.57 0.00 0.00 31.44 29.05 3pcf n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pcf h ALA 149 N 2.28 0.25 -0.18 0.62 0.00 -1.76 0.22 119.26 120.69 3pcf h ALA 149 Ca 0.25 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.40 3pcf h ALA 149 Cb 1.48 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 19.66 3pcf h ALA 149 CO 0.63 -0.49 -0.15 1.96 0.00 0.00 0.00 179.25 181.20 3pcf h GLN 150 N -0.05 -0.16 -0.41 0.00 4.20 -1.94 0.14 115.11 116.90 3pcf h GLN 150 Ca 0.24 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 3pcf h GLN 150 Cb 0.41 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 3pcf h GLN 150 CO -0.54 -0.11 0.09 0.00 -0.67 0.00 0.00 178.83 177.61 3pcf h ALA 151 N 0.94 0.54 -0.56 3.87 0.00 -1.80 -3.01 119.26 119.24 3pcf h ALA 151 Ca 0.11 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3pcf h ALA 151 Cb 0.33 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3pcf h ALA 151 CO -0.28 0.23 0.28 -0.91 0.00 0.00 0.00 179.25 178.57 3pcf h ASN 152 N 0.53 0.40 -0.84 0.00 2.35 -0.17 -0.91 115.58 116.94 3pcf h ASN 152 Ca 0.13 0.03 0.19 0.00 -0.55 0.00 0.00 56.30 56.10 3pcf h ASN 152 Cb 0.32 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 3pcf h ASN 152 CO 0.00 0.27 0.56 0.00 -1.65 0.00 0.00 177.43 176.61 3pcf h ALA 153 N 1.30 2.24 -0.36 -0.83 0.00 -0.59 -2.19 119.26 118.83 3pcf h ALA 153 Ca 0.25 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3pcf h ALA 153 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3pcf h ALA 153 CO -0.18 -0.49 0.00 1.63 0.00 0.00 0.00 179.25 180.22 3pcf n LYS 154 N -4.48 2.31 -2.03 0.00 5.02 -0.44 -4.92 118.16 113.63 3pcf n LYS 154 Ca 0.17 -2.08 -0.42 0.00 -2.02 0.00 0.00 58.31 53.96 3pcf n LYS 154 Cb 0.66 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 34.24 3pcf n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3pcf h PRO 156 N 6.83 0.00 0.03 0.00 0.11 -1.91 -0.49 132.00 136.56 3pcf h PRO 156 Ca -0.42 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 3pcf h PRO 156 Cb 1.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.32 3pcf h PRO 156 CO 0.89 0.15 -0.27 0.28 -0.21 0.00 0.00 178.00 178.85 3pcf h VAL 157 N 0.00 1.63 -0.81 3.15 2.07 -1.94 -3.20 116.25 117.15 3pcf h VAL 157 Ca -0.00 -2.20 -0.04 0.00 0.82 0.00 0.00 66.70 65.28 3pcf h VAL 157 Cb 0.32 3.08 -0.04 0.00 -1.52 0.00 0.00 31.29 33.14 3pcf h VAL 157 CO 0.02 0.59 0.36 0.25 0.02 0.00 0.00 177.57 178.81 3pcf h LEU 158 N -0.66 1.09 0.00 2.57 5.85 -1.84 -2.04 115.31 120.28 3pcf h LEU 158 Ca -0.04 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3pcf h LEU 158 Cb 1.12 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3pcf h LEU 158 CO 0.05 0.94 0.00 0.59 -0.34 0.00 0.00 178.44 179.68 3pcf n ASN 159 N -4.29 0.00 0.13 1.25 3.02 -0.21 -1.58 115.26 113.58 3pcf n ASN 159 Ca 0.08 0.50 0.12 0.00 -0.03 0.00 0.00 54.58 55.25 3pcf n ASN 159 Cb 0.16 -0.50 0.24 0.00 -0.61 0.00 0.00 39.78 39.07 3pcf n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pcf h LEU 160 N 0.00 0.00 -8.97 3.41 3.38 -1.35 -3.43 115.31 108.35 3pcf h LEU 160 Ca 0.00 -0.04 -0.57 0.00 0.09 0.00 0.00 57.88 57.35 3pcf h LEU 160 Cb 0.15 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 3pcf h LEU 160 CO 0.00 0.02 0.84 -0.63 0.09 0.00 0.00 178.44 178.77 3pcf s ILE 161 N -3.18 4.52 0.13 1.22 1.01 -0.62 -4.94 121.20 119.35 3pcf s ILE 161 Ca 0.07 1.77 -0.27 0.00 0.00 0.00 0.00 60.65 62.22 3pcf s ILE 161 Cb 0.10 -4.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 3pcf s ILE 161 CO 0.67 -0.44 1.61 -0.33 0.00 0.00 0.00 174.94 176.44 3pcf h GLU 162 N 8.03 -0.42 -5.51 2.79 5.08 -1.87 -3.40 114.58 119.29 3pcf h GLU 162 Ca -0.20 0.03 -0.64 0.00 -1.00 0.00 0.00 59.36 57.55 3pcf h GLU 162 Cb 1.06 0.10 -0.14 0.00 0.50 0.00 0.00 28.75 30.27 3pcf h GLU 162 CO 1.03 -0.28 0.17 -0.65 -1.00 0.00 0.00 179.01 178.28 3pcf s GLN 163 N -5.98 3.50 0.42 2.33 -1.52 -1.26 -4.96 119.66 112.19 3pcf s GLN 163 Ca -0.15 -0.11 0.20 0.00 -1.95 0.00 0.00 55.36 53.35 3pcf s GLN 163 Cb 0.10 -3.88 1.15 0.00 -0.22 0.00 0.00 33.01 30.16 3pcf s GLN 163 CO 0.65 -0.89 1.79 -1.35 -0.25 0.00 0.00 175.29 175.24 3pcf h PRO 164 N 8.68 0.34 -0.32 2.91 0.11 -1.97 0.35 132.00 142.10 3pcf h PRO 164 Ca -0.26 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 3pcf h PRO 164 Cb 1.10 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3pcf h PRO 164 CO 0.88 0.22 0.07 1.96 -0.21 0.00 0.00 178.00 180.91 3pcf h GLN 165 N 0.35 0.47 0.00 1.05 7.50 -1.95 -2.58 115.11 119.94 3pcf h GLN 165 Ca 0.57 -0.07 -0.07 0.00 0.50 0.00 0.00 58.65 59.58 3pcf h GLN 165 Cb 1.54 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.98 3pcf h GLN 165 CO -0.25 0.45 -0.33 0.00 -1.50 0.00 0.00 178.83 177.20 3pcf h ARG 166 N 0.46 0.00 -0.31 1.46 3.08 -0.70 -3.12 114.38 115.26 3pcf h ARG 166 Ca 0.11 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 3pcf h ARG 166 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3pcf h ARG 166 CO -0.00 0.33 -0.12 0.00 -1.07 0.00 0.00 179.97 179.11 3pcf h ARG 167 N 0.00 0.53 -0.01 0.04 3.08 -1.38 -2.50 114.38 114.14 3pcf h ARG 167 Ca -0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3pcf h ARG 167 Cb 0.96 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 3pcf h ARG 167 CO 0.04 0.65 0.01 0.93 -1.07 0.00 0.00 179.97 180.53 3pcf h GLU 168 N 0.49 0.00 0.00 0.04 5.08 -1.56 -0.87 114.58 117.76 3pcf h GLU 168 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3pcf h GLU 168 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3pcf h GLU 168 CO 0.03 0.00 -0.05 1.79 -1.00 0.00 0.00 179.01 179.78 3pcf h THR 169 N 0.00 0.19 -0.01 1.13 1.35 -1.59 -2.67 112.91 111.31 3pcf h THR 169 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3pcf h THR 169 Cb 0.03 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3pcf h THR 169 CO -0.00 0.05 -0.11 0.18 -0.25 0.00 0.00 175.52 175.39 3pcf n LEU 170 N -3.25 1.52 -4.57 3.87 4.77 -0.33 -4.81 117.00 114.20 3pcf n LEU 170 Ca -0.01 -0.49 -0.40 0.00 -0.03 0.00 0.00 56.01 55.08 3pcf n LEU 170 Cb 0.25 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.21 3pcf n LEU 170 CO 0.27 0.26 0.12 -0.63 -1.33 0.00 0.00 177.39 176.08 3pcf s ILE 171 N -2.19 5.12 0.32 -0.08 1.01 -1.01 -0.12 121.20 124.25 3pcf s ILE 171 Ca 0.32 0.35 -0.27 0.00 0.00 0.00 0.00 60.65 61.05 3pcf s ILE 171 Cb 0.20 -3.83 -0.09 0.00 0.01 0.00 0.00 42.46 38.75 3pcf s ILE 171 CO 0.40 -0.04 1.03 0.00 0.00 0.00 0.00 174.94 176.33 3pcf s ALA 172 N 2.17 3.26 -0.24 9.38 0.00 0.15 -4.82 121.76 131.65 3pcf s ALA 172 Ca 0.15 0.72 -0.16 0.00 0.00 0.00 0.00 51.96 52.68 3pcf s ALA 172 Cb -0.16 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 3pcf s ALA 172 CO 0.11 -0.05 0.40 0.15 0.00 0.00 0.00 175.76 176.37 3pcf s LYS 173 N -1.82 4.08 0.21 0.00 -0.14 -0.78 -1.02 119.74 120.27 3pcf s LYS 173 Ca 0.49 0.13 -0.30 0.00 -1.36 0.00 0.00 55.97 54.93 3pcf s LYS 173 Cb -0.25 -3.61 -0.09 0.00 -1.68 0.00 0.00 37.83 32.19 3pcf s LYS 173 CO 0.32 -0.20 1.33 0.50 -0.76 0.00 0.00 175.35 176.54 3pcf s ARG 174 N 1.82 4.37 0.22 1.68 3.52 -1.26 -1.15 118.95 128.15 3pcf s ARG 174 Ca 0.17 2.09 -0.03 0.00 -0.13 0.00 0.00 55.73 57.84 3pcf s ARG 174 Cb -0.15 -3.18 0.01 0.00 -1.56 0.00 0.00 34.95 30.07 3pcf s ARG 174 CO 0.09 -0.27 0.33 0.00 -0.81 0.00 0.00 175.30 174.64 3pcf s GLU 176 N -2.38 0.91 -0.11 0.00 2.12 -1.26 -1.01 118.70 116.97 3pcf s GLU 176 Ca 0.15 -0.55 -0.01 0.00 0.36 0.00 0.00 54.97 54.92 3pcf s GLU 176 Cb -0.01 -0.88 0.04 0.00 0.26 0.00 0.00 34.13 33.53 3pcf s GLU 176 CO 0.11 0.23 -0.01 0.08 -0.54 0.00 0.00 175.26 175.13 3pcf s VAL 177 N -0.53 0.59 -1.51 3.70 1.01 0.11 -4.78 120.40 118.98 3pcf s VAL 177 Ca 0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 3pcf s VAL 177 Cb -0.06 -0.80 0.05 0.00 0.00 0.00 0.00 36.38 35.57 3pcf s VAL 177 CO 0.00 0.16 0.53 0.47 0.00 0.00 0.00 175.10 176.26 3pcf n ASP 178 N 5.07 -1.31 -1.75 3.32 8.00 -1.26 0.13 116.55 128.74 3pcf n ASP 178 Ca -0.09 -1.02 -0.18 0.00 0.71 0.00 0.00 54.79 54.21 3pcf n ASP 178 Cb 0.49 -2.91 -0.04 0.00 -0.02 0.00 0.00 41.12 38.64 3pcf n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pcf n GLY 179 N -1.83 0.66 3.43 0.44 0.00 -1.26 -4.99 105.19 101.63 3pcf n GLY 179 Ca -0.18 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 3pcf n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcf s LYS 180 N -4.26 2.22 0.08 1.61 2.20 0.34 -5.08 119.74 116.85 3pcf s LYS 180 Ca 0.00 -0.88 -0.31 0.00 -0.36 0.00 0.00 55.97 54.42 3pcf s LYS 180 Cb 0.00 -2.21 -0.08 0.00 -1.51 0.00 0.00 37.83 34.03 3pcf s LYS 180 CO 0.00 0.57 1.53 0.99 -0.36 0.00 0.00 175.35 178.08 3pcf s THR 181 N -0.78 3.16 0.07 3.43 2.01 -1.26 0.05 115.64 122.32 3pcf s THR 181 Ca 0.12 0.70 0.00 0.00 0.31 0.00 0.00 61.69 62.83 3pcf s THR 181 Cb -0.10 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 3pcf s THR 181 CO 0.02 0.02 -0.05 0.00 -0.69 0.00 0.00 174.62 173.92 3pcf s ALA 182 N 2.00 0.72 -0.03 7.40 0.00 -0.18 -1.96 121.76 129.71 3pcf s ALA 182 Ca 0.69 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 51.40 3pcf s ALA 182 Cb -0.38 0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.97 3pcf s ALA 182 CO 0.30 -0.30 -0.06 0.71 0.00 0.00 0.00 175.76 176.41 3pcf s TYR 183 N -3.75 0.75 -0.19 0.00 1.51 -0.48 0.35 117.35 115.54 3pcf s TYR 183 Ca 0.09 -0.19 -0.07 0.00 -1.01 0.00 0.00 57.07 55.89 3pcf s TYR 183 Cb 0.06 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.27 3pcf s TYR 183 CO -0.07 -0.14 0.05 0.50 -1.11 0.00 0.00 175.55 174.78 3pcf s ARG 184 N 0.57 3.87 -0.34 -0.62 3.52 -0.30 -1.81 118.95 123.83 3pcf s ARG 184 Ca -0.08 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.13 3pcf s ARG 184 Cb -0.11 -3.20 0.11 0.00 -1.56 0.00 0.00 34.95 30.19 3pcf s ARG 184 CO 0.00 0.17 0.13 0.12 -0.81 0.00 0.00 175.30 174.91 3pcf s PHE 185 N 0.63 1.96 0.17 5.12 5.36 0.07 -1.86 117.98 129.42 3pcf s PHE 185 Ca 0.03 -2.02 -0.14 0.00 -0.96 0.00 0.00 56.93 53.84 3pcf s PHE 185 Cb -0.13 -1.87 -0.07 0.00 -0.34 0.00 0.00 43.02 40.61 3pcf s PHE 185 CO 0.02 -0.86 0.56 -0.51 -1.46 0.00 0.00 175.22 172.97 3pcf s ASP 186 N 1.24 6.80 -0.17 6.13 1.01 -1.26 -4.17 116.67 126.24 3pcf s ASP 186 Ca 0.12 1.07 -0.01 0.00 0.71 0.00 0.00 52.55 54.44 3pcf s ASP 186 Cb -0.19 -2.28 -0.00 0.00 1.01 0.00 0.00 42.92 41.45 3pcf s ASP 186 CO -0.17 0.06 -0.12 -0.63 0.21 0.00 0.00 175.17 174.52 3pcf s ILE 187 N -1.55 2.88 -0.40 0.77 1.01 -0.60 -4.97 121.20 118.34 3pcf s ILE 187 Ca 0.40 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 3pcf s ILE 187 Cb -0.14 -2.25 0.04 0.00 0.01 0.00 0.00 42.46 40.13 3pcf s ILE 187 CO 0.19 0.49 0.24 -0.13 0.00 0.00 0.00 174.94 175.74 3pcf s ARG 188 N 0.98 2.78 0.25 2.79 0.52 -1.26 -0.71 118.95 124.30 3pcf s ARG 188 Ca -0.02 -1.20 -0.04 0.00 -0.52 0.00 0.00 55.73 53.95 3pcf s ARG 188 Cb -0.15 -3.79 0.30 0.00 0.52 0.00 0.00 34.95 31.83 3pcf s ARG 188 CO -0.02 -0.80 1.80 0.82 0.02 0.00 0.00 175.30 177.12 3pcf h ILE 189 N 5.91 1.24 -3.07 1.52 2.04 -1.22 0.14 117.51 124.08 3pcf h ILE 189 Ca -0.25 -0.85 -0.12 0.00 1.00 0.00 0.00 64.86 64.64 3pcf h ILE 189 Cb 1.10 0.57 -0.20 0.00 -0.74 0.00 0.00 36.82 37.55 3pcf h ILE 189 CO 0.71 0.33 -0.28 -1.58 0.00 0.00 0.00 178.15 177.33 3pcf s GLN 190 N -5.29 0.67 0.57 2.37 0.74 -1.26 -4.71 119.66 112.75 3pcf s GLN 190 Ca -0.11 -0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.08 3pcf s GLN 190 Cb 0.15 0.30 0.00 0.00 1.10 0.00 0.00 33.01 34.56 3pcf s GLN 190 CO 0.82 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.78 3pcf n GLY 191 N 1.23 0.04 3.68 2.59 0.00 -1.26 -4.07 105.19 107.41 3pcf n GLY 191 Ca -0.21 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 3pcf n GLY 191 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcf n GLU 192 N 0.27 2.76 -1.94 1.61 2.13 -1.26 -0.94 120.64 123.27 3pcf n GLU 192 Ca 0.00 1.01 -0.11 0.00 0.66 0.00 0.00 57.16 58.72 3pcf n GLU 192 Cb 0.00 -2.91 -0.02 0.00 0.27 0.00 0.00 31.44 28.78 3pcf n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pcf n GLY 193 N 4.30 0.32 3.67 8.31 0.00 -1.26 -4.93 105.19 115.59 3pcf n GLY 193 Ca 0.19 -0.45 -0.47 0.00 0.00 0.00 0.00 46.02 45.28 3pcf n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcf n GLU 194 N -2.25 2.05 -2.07 1.61 2.13 -0.12 -4.54 120.64 117.46 3pcf n GLU 194 Ca -0.12 0.74 -0.40 0.00 0.66 0.00 0.00 57.16 58.03 3pcf n GLU 194 Cb 0.53 -2.51 -0.01 0.00 0.27 0.00 0.00 31.44 29.71 3pcf n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pcf s THR 195 N 1.66 2.62 0.14 6.31 2.01 0.50 -4.96 115.64 123.93 3pcf s THR 195 Ca 0.83 0.61 -0.31 0.00 0.31 0.00 0.00 61.69 63.13 3pcf s THR 195 Cb -0.71 -3.38 -0.08 0.00 0.01 0.00 0.00 72.50 68.33 3pcf s THR 195 CO 0.42 0.13 1.39 -0.69 -0.69 0.00 0.00 174.62 175.18 3pcf s VAL 196 N -1.18 3.19 -0.01 3.82 1.01 -1.26 -4.95 120.40 121.03 3pcf s VAL 196 Ca 0.52 0.89 0.07 0.00 0.00 0.00 0.00 61.98 63.46 3pcf s VAL 196 Cb -0.40 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3pcf s VAL 196 CO 0.53 0.09 -0.23 -0.36 0.00 0.00 0.00 175.10 175.13 3pcf s PHE 197 N 0.82 2.03 0.19 5.22 0.08 -1.26 -4.69 117.98 120.37 3pcf s PHE 197 Ca 0.63 -0.38 0.06 0.00 0.12 0.00 0.00 56.93 57.35 3pcf s PHE 197 Cb -0.38 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 3pcf s PHE 197 CO 0.33 -0.01 0.14 -0.06 -0.10 0.00 0.00 175.22 175.51 3pcf s PHE 198 N -0.58 3.10 -0.04 0.36 0.08 -0.26 -5.00 117.98 115.65 3pcf s PHE 198 Ca 0.09 -0.06 0.06 0.00 0.12 0.00 0.00 56.93 57.14 3pcf s PHE 198 Cb -0.09 -1.46 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 3pcf s PHE 198 CO -0.00 0.52 -0.22 0.34 -0.10 0.00 0.00 175.22 175.76 3pcf s ASP 199 N -3.29 2.62 0.00 1.36 2.15 -1.26 -4.24 116.67 114.01 3pcf s ASP 199 Ca 0.31 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 52.87 3pcf s ASP 199 Cb -0.09 -0.57 0.00 0.00 -0.30 0.00 0.00 42.92 41.96 3pcf s ASP 199 CO 0.23 0.23 0.00 2.22 -0.17 0.00 0.00 175.17 177.68