#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 4.53 -0.05 4.25 -1.09 -1.26 -5.05 121.20 122.53 3pcf s ILE 2 Ca 0.00 1.93 0.05 0.00 -2.23 0.00 0.00 60.65 60.39 3pcf s ILE 2 Cb 0.00 -4.25 -0.00 0.00 -1.58 0.00 0.00 42.46 36.62 3pcf s ILE 2 CO 0.00 0.35 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.26 3pcf s GLU 3 N -0.15 2.06 0.67 2.79 0.41 -1.26 -5.15 118.70 118.07 3pcf s GLU 3 Ca 0.44 -0.68 0.05 0.00 -0.41 0.00 0.00 54.97 54.36 3pcf s GLU 3 Cb -0.23 -1.74 0.12 0.00 -1.78 0.00 0.00 34.13 30.50 3pcf s GLU 3 CO 0.28 0.25 0.92 1.28 -0.49 0.00 0.00 175.26 177.50 3pcf n LEU 4 N 3.19 0.00 -4.77 1.80 4.32 -1.26 -5.05 117.00 115.23 3pcf n LEU 4 Ca -0.18 -2.39 -0.41 0.00 -0.02 0.00 0.00 56.01 53.01 3pcf n LEU 4 Cb 0.53 -0.54 -0.01 0.00 -1.62 0.00 0.00 43.42 41.77 3pcf n LEU 4 CO 0.25 -0.85 1.01 -0.76 -1.22 0.00 0.00 177.39 175.82 3pcf s LEU 5 N 0.00 4.38 0.29 2.23 1.43 -1.26 -4.94 118.68 120.81 3pcf s LEU 5 Ca 0.65 2.76 -0.28 0.00 -1.03 0.00 0.00 54.13 56.23 3pcf s LEU 5 Cb -0.04 -3.68 -0.09 0.00 0.03 0.00 0.00 46.19 42.40 3pcf s LEU 5 CO 0.42 -0.64 0.98 -2.16 0.23 0.00 0.00 176.35 175.18 3pcf s PRO 6 N -1.91 4.66 0.37 1.29 0.04 -1.26 -5.00 135.00 133.19 3pcf s PRO 6 Ca 0.51 1.50 -0.27 0.00 0.04 0.00 0.00 61.00 62.77 3pcf s PRO 6 Cb -0.41 -3.04 -0.09 0.00 0.04 0.00 0.00 34.50 31.00 3pcf s PRO 6 CO 0.55 0.32 1.26 -2.00 0.04 0.00 0.00 177.00 177.17 3pcf s GLU 7 N -1.64 4.16 0.13 4.56 2.12 -1.26 -4.92 118.70 121.84 3pcf s GLU 7 Ca 0.46 2.09 -0.33 0.00 0.36 0.00 0.00 54.97 57.56 3pcf s GLU 7 Cb -0.24 -2.88 -0.12 0.00 0.26 0.00 0.00 34.13 31.15 3pcf s GLU 7 CO 0.31 -0.31 1.71 2.41 -0.54 0.00 0.00 175.26 178.84 3pcf n THR 8 N 0.41 0.17 -1.95 -1.70 -1.04 -1.26 -4.90 114.28 104.02 3pcf n THR 8 Ca 0.02 -0.03 -0.40 0.00 -2.04 0.00 0.00 64.05 61.60 3pcf n THR 8 Cb 0.44 -1.82 -0.00 0.00 -1.82 0.00 0.00 70.33 67.13 3pcf n THR 8 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3pcf s PRO 9 N 1.86 3.96 0.60 -2.82 0.04 -1.26 -5.01 135.00 132.38 3pcf s PRO 9 Ca 0.81 2.30 -0.10 0.00 0.04 0.00 0.00 61.00 64.05 3pcf s PRO 9 Cb -0.60 -2.80 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 3pcf s PRO 9 CO 0.39 -0.55 0.99 0.45 0.04 0.00 0.00 177.00 178.31 3pcf s SER 10 N -0.56 6.09 0.03 6.66 0.15 -1.26 -5.10 113.70 119.72 3pcf s SER 10 Ca 0.56 1.25 -0.13 0.00 0.70 0.00 0.00 55.95 58.34 3pcf s SER 10 Cb -0.41 -2.31 0.02 0.00 -1.71 0.00 0.00 66.02 61.60 3pcf s SER 10 CO 0.53 -0.89 0.28 -1.10 1.20 0.00 0.00 173.24 173.26 3pcf s GLN 11 N -5.11 0.76 0.63 5.44 -1.52 -1.11 -4.86 119.66 113.89 3pcf s GLN 11 Ca 0.54 -0.49 -0.18 0.00 -1.95 0.00 0.00 55.36 53.28 3pcf s GLN 11 Cb -0.11 0.33 -0.03 0.00 -0.22 0.00 0.00 33.01 32.98 3pcf s GLN 11 CO 0.52 -0.23 1.08 -2.37 -0.25 0.00 0.00 175.29 174.03 3pcf n THR 12 N 0.71 4.17 0.13 -0.19 5.66 -1.19 -4.74 114.28 118.83 3pcf n THR 12 Ca -0.19 -0.49 -0.02 0.00 -3.05 0.00 0.00 64.05 60.30 3pcf n THR 12 Cb 0.59 -1.27 0.19 0.00 -1.55 0.00 0.00 70.33 68.30 3pcf n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pcf h ALA 13 N 0.41 1.03 0.00 1.79 0.00 -1.72 -3.49 119.26 117.27 3pcf h ALA 13 Ca -0.49 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 53.91 3pcf h ALA 13 Cb 1.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3pcf h ALA 13 CO 0.51 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.87 3pcf n GLY 14 N 0.10 -0.98 0.16 0.00 0.00 -1.26 -4.22 105.19 98.99 3pcf n GLY 14 Ca -0.02 -1.66 0.01 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.14 132.00 127.87 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 0.51 0.08 0.66 -0.23 0.00 0.00 178.00 179.02 3pcf n TYR 16 N -3.89 1.40 0.02 1.56 4.01 -1.26 -4.52 117.16 114.47 3pcf n TYR 16 Ca -0.01 -0.63 0.21 0.00 -0.16 0.00 0.00 57.90 57.31 3pcf n TYR 16 Cb 0.53 -0.42 0.72 0.00 -0.31 0.00 0.00 39.34 39.86 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 2.05 0.60 -0.47 -0.72 3.04 -1.71 -2.40 116.25 116.62 3pcf h VAL 17 Ca 0.08 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.86 3pcf h VAL 17 Cb 1.56 0.70 -0.07 0.00 -2.01 0.00 0.00 31.29 31.47 3pcf h VAL 17 CO 0.38 0.00 0.05 0.45 -1.01 0.00 0.00 177.57 177.43 3pcf h HIS 18 N 0.00 0.06 -0.80 3.17 3.86 -1.84 0.17 115.15 119.76 3pcf h HIS 18 Ca 0.24 0.03 0.17 0.00 -1.16 0.00 0.00 60.37 59.65 3pcf h HIS 18 Cb 1.05 0.05 -0.05 0.00 1.06 0.00 0.00 27.41 29.51 3pcf h HIS 18 CO 0.00 -0.06 0.54 -0.84 0.86 0.00 0.00 177.93 178.43 3pcf h ILE 19 N 0.17 0.74 0.09 2.45 3.07 -1.63 1.27 117.51 123.67 3pcf h ILE 19 Ca 0.24 -0.13 -0.30 0.00 1.55 0.00 0.00 64.86 66.23 3pcf h ILE 19 Cb 0.34 0.34 -0.02 0.00 -0.27 0.00 0.00 36.82 37.21 3pcf h ILE 19 CO -0.36 0.07 -1.57 1.23 -1.05 0.00 0.00 178.15 176.47 3pcf h GLY 20 N 0.37 0.22 -0.28 0.16 0.00 -1.35 -3.43 103.07 98.76 3pcf h GLY 20 Ca 0.40 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3pcf h GLY 20 CO -0.13 0.49 0.00 1.04 0.00 0.00 0.00 176.54 177.94 3pcf n LEU 21 N -3.90 1.35 -2.96 3.11 4.77 0.46 -4.80 117.00 115.03 3pcf n LEU 21 Ca -0.29 -1.07 -0.15 0.00 -0.03 0.00 0.00 56.01 54.47 3pcf n LEU 21 Cb 0.90 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.98 3pcf n LEU 21 CO 0.36 0.30 -0.02 0.00 -1.33 0.00 0.00 177.39 176.71 3pcf n ALA 22 N 0.16 0.45 -0.04 -1.18 0.00 0.43 -4.97 120.51 115.37 3pcf n ALA 22 Ca 0.02 -2.36 -0.12 0.00 0.00 0.00 0.00 53.44 50.97 3pcf n ALA 22 Cb 0.10 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 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 3.81 -1.45 -0.78 0.00 4.07 -1.75 -1.04 115.31 118.19 3pcf h LEU 23 Ca -0.04 0.19 0.09 0.00 0.08 0.00 0.00 57.88 58.21 3pcf h LEU 23 Cb 0.97 0.60 -0.11 0.00 1.08 0.00 0.00 40.66 43.19 3pcf h LEU 23 CO 0.38 -0.42 -0.53 1.05 -1.08 0.00 0.00 178.44 177.84 3pcf h GLU 24 N -0.46 -0.14 -0.99 1.13 -0.00 -1.89 -0.23 114.58 112.01 3pcf h GLU 24 Ca 0.08 0.01 0.15 0.00 -0.00 0.00 0.00 59.36 59.60 3pcf h GLU 24 Cb 0.63 0.03 -0.09 0.00 -0.00 0.00 0.00 28.75 29.31 3pcf h GLU 24 CO -0.46 -0.09 0.60 0.00 -0.00 0.00 0.00 179.01 179.06 3pcf h ALA 25 N 0.51 1.54 0.00 1.06 0.00 -1.67 0.57 119.26 121.26 3pcf h ALA 25 Ca 0.17 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3pcf h ALA 25 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3pcf h ALA 25 CO -0.82 0.10 0.00 0.00 0.00 0.00 0.00 179.25 178.54 3pcf n ALA 26 N -2.35 1.55 -2.73 0.00 0.00 -0.14 -4.83 120.51 112.01 3pcf n ALA 26 Ca 0.20 0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.60 3pcf n ALA 26 Cb 0.43 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.64 3pcf n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcf n GLY 27 N -0.25 0.43 3.38 0.00 0.00 0.20 -4.96 105.19 103.98 3pcf n GLY 27 Ca 0.02 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.18 3.15 0.34 1.61 0.01 -0.99 -5.05 114.94 110.82 3pcf s ASN 28 Ca 0.13 -0.80 -0.29 0.00 -0.71 0.00 0.00 52.86 51.19 3pcf s ASN 28 Cb -0.06 -0.21 -0.11 0.00 0.41 0.00 0.00 41.25 41.28 3pcf s ASN 28 CO 0.22 0.11 1.55 -0.81 -1.51 0.00 0.00 177.10 176.66 3pcf n PRO 29 N 0.62 2.71 -2.54 -0.60 -0.04 -1.26 -3.88 135.00 130.01 3pcf n PRO 29 Ca -0.16 0.96 -0.23 0.00 -0.04 0.00 0.00 63.50 64.03 3pcf n PRO 29 Cb 0.55 -2.72 0.09 0.00 -0.04 0.00 0.00 33.50 31.38 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 -0.57 2.26 0.62 0.52 -4.23 -1.26 -4.89 115.64 108.09 3pcf s THR 30 Ca 0.58 -0.56 0.08 0.00 -1.18 0.00 0.00 61.69 60.62 3pcf s THR 30 Cb -0.48 -2.71 0.11 0.00 1.34 0.00 0.00 72.50 70.76 3pcf s THR 30 CO 0.56 0.00 0.85 0.54 -0.54 0.00 0.00 174.62 176.03 3pcf n ARG 31 N -2.77 0.46 0.10 3.99 1.74 -1.26 -5.02 116.66 113.90 3pcf n ARG 31 Ca 0.13 -3.09 -0.13 0.00 -0.77 0.00 0.00 57.85 53.99 3pcf n ARG 31 Cb 0.60 -0.33 -0.08 0.00 -1.02 0.00 0.00 32.46 31.64 3pcf n ARG 31 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3pcf h ASP 32 N -0.04 -1.24 -3.21 0.55 3.32 -2.07 -3.40 116.42 110.34 3pcf h ASP 32 Ca -0.29 0.13 -0.64 0.00 0.02 0.00 0.00 57.03 56.26 3pcf h ASP 32 Cb 1.26 0.45 -0.15 0.00 0.22 0.00 0.00 39.33 41.11 3pcf h ASP 32 CO 0.39 -0.44 -0.57 -1.10 -1.72 0.00 0.00 179.24 175.79 3pcf s GLN 33 N -5.16 3.68 -0.04 3.56 -0.21 -1.26 -5.09 119.66 115.15 3pcf s GLN 33 Ca -0.13 -0.34 -0.04 0.00 0.02 0.00 0.00 55.36 54.88 3pcf s GLN 33 Cb 0.05 -3.10 0.01 0.00 1.00 0.00 0.00 33.01 30.96 3pcf s GLN 33 CO 0.47 0.43 0.10 -1.21 -2.12 0.00 0.00 175.29 172.96 3pcf s GLU 34 N -0.08 0.14 -0.31 2.91 0.41 -1.26 -5.13 118.70 115.38 3pcf s GLU 34 Ca 0.06 0.11 -0.21 0.00 -0.41 0.00 0.00 54.97 54.53 3pcf s GLU 34 Cb -0.12 0.06 -0.01 0.00 -1.78 0.00 0.00 34.13 32.29 3pcf s GLU 34 CO 0.01 -0.02 0.65 0.42 -0.49 0.00 0.00 175.26 175.83 3pcf s ILE 35 N -0.03 4.92 0.00 -1.63 1.01 -1.26 -5.01 121.20 119.19 3pcf s ILE 35 Ca -0.01 0.86 0.00 0.00 0.00 0.00 0.00 60.65 61.50 3pcf s ILE 35 Cb -0.01 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.43 3pcf s ILE 35 CO 0.00 -0.17 0.00 1.87 0.00 0.00 0.00 174.94 176.64 3pcf n TRP 36 N 5.94 0.00 -0.13 3.97 -0.00 -1.26 -4.58 117.44 121.37 3pcf n TRP 36 Ca -0.01 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.55 3pcf n TRP 36 Cb 0.49 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 3.88 -4.04 5.87 6.94 -0.34 -1.45 115.26 126.13 3pcf n ASN 37 Ca 0.00 -2.48 -0.34 0.00 -0.02 0.00 0.00 54.58 51.74 3pcf n ASN 37 Cb 0.00 -0.56 -0.12 0.00 -2.36 0.00 0.00 39.78 36.75 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 -1.99 2.28 0.19 -3.83 3.52 -1.26 -0.15 118.95 117.70 3pcf s ARG 38 Ca 0.37 -2.53 0.11 0.00 -0.13 0.00 0.00 55.73 53.55 3pcf s ARG 38 Cb 0.26 -3.55 -0.09 0.00 -1.56 0.00 0.00 34.95 30.01 3pcf s ARG 38 CO 0.14 -1.14 1.35 -0.07 -0.81 0.00 0.00 175.30 174.77 3pcf h LEU 39 N 6.87 0.00 -8.65 -0.88 4.07 -0.90 -3.46 115.31 112.36 3pcf h LEU 39 Ca -0.04 0.00 -0.69 0.00 0.08 0.00 0.00 57.88 57.23 3pcf h LEU 39 Cb 0.93 0.00 -0.28 0.00 1.08 0.00 0.00 40.66 42.39 3pcf h LEU 39 CO 0.70 0.78 -0.83 0.00 -1.08 0.00 0.00 178.44 178.00 3pcf s ALA 40 N -2.82 2.39 0.15 1.53 0.00 -1.19 -0.31 121.76 121.51 3pcf s ALA 40 Ca 0.02 -1.01 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 3pcf s ALA 40 Cb 0.09 -0.84 -0.07 0.00 0.00 0.00 0.00 23.12 22.30 3pcf s ALA 40 CO 0.79 0.44 0.55 0.15 0.00 0.00 0.00 175.76 177.68 3pcf s LYS 41 N -0.29 3.95 0.39 0.00 1.02 0.26 -4.79 119.74 120.28 3pcf s LYS 41 Ca 0.01 0.46 0.22 0.00 0.02 0.00 0.00 55.97 56.68 3pcf s LYS 41 Cb -0.13 -2.90 1.29 0.00 -0.52 0.00 0.00 37.83 35.57 3pcf s LYS 41 CO 0.03 0.46 1.62 -1.35 -0.92 0.00 0.00 175.35 175.19 3pcf h PRO 42 N 3.45 0.13 -1.00 -1.68 0.11 -2.00 0.55 132.00 131.56 3pcf h PRO 42 Ca -0.48 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.41 3pcf h PRO 42 Cb 1.19 -0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.15 3pcf h PRO 42 CO 0.66 0.09 0.26 -0.40 -0.21 0.00 0.00 178.00 178.40 3pcf n ASP 43 N -4.99 3.30 -4.76 -2.05 5.75 -1.26 -4.83 116.55 107.71 3pcf n ASP 43 Ca 0.36 -2.64 -0.38 0.00 -0.01 0.00 0.00 54.79 52.12 3pcf n ASP 43 Cb 1.24 -0.64 -0.06 0.00 -1.03 0.00 0.00 41.12 40.63 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 -1.33 3.56 0.58 2.12 0.00 0.19 -5.03 121.76 121.85 3pcf s ALA 44 Ca 0.23 -0.24 -0.21 0.00 0.00 0.00 0.00 51.96 51.74 3pcf s ALA 44 Cb 0.19 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 3pcf s ALA 44 CO 0.04 0.17 1.33 -1.25 0.00 0.00 0.00 175.76 176.05 3pcf s PRO 45 N 0.06 2.97 0.00 0.00 0.04 -1.26 -4.86 135.00 131.95 3pcf s PRO 45 Ca 0.24 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.43 3pcf s PRO 45 Cb -0.15 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3pcf s PRO 45 CO 0.10 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.25 3pcf n GLY 46 N 0.76 0.88 3.46 0.56 0.00 -1.26 -4.58 105.19 105.00 3pcf n GLY 46 Ca 0.12 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.28 3.15 0.54 1.61 2.12 -1.26 -4.96 118.70 118.61 3pcf s GLU 47 Ca 0.00 -0.89 -0.22 0.00 0.36 0.00 0.00 54.97 54.22 3pcf s GLU 47 Cb 0.00 -4.29 -0.05 0.00 0.26 0.00 0.00 34.13 30.05 3pcf s GLU 47 CO 0.00 -1.82 1.36 -1.01 -0.54 0.00 0.00 175.26 173.25 3pcf s HIS 48 N 4.00 2.30 0.19 5.30 3.76 -1.26 -1.81 115.29 127.77 3pcf s HIS 48 Ca 0.23 1.37 -0.15 0.00 -0.15 0.00 0.00 55.06 56.36 3pcf s HIS 48 Cb -0.16 -3.80 0.02 0.00 1.11 0.00 0.00 32.58 29.75 3pcf s HIS 48 CO 0.09 -2.89 0.45 0.96 -0.85 0.00 0.00 174.74 172.50 3pcf s ILE 49 N -1.30 0.04 -0.20 0.60 -4.36 0.40 -4.74 121.20 111.64 3pcf s ILE 49 Ca 0.71 -1.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.11 3pcf s ILE 49 Cb -0.40 -1.70 0.03 0.00 1.25 0.00 0.00 42.46 41.64 3pcf s ILE 49 CO 0.48 -0.16 -0.17 -0.22 0.24 0.00 0.00 174.94 175.10 3pcf s LEU 50 N -2.91 2.44 -0.07 0.37 2.96 -0.19 -2.42 118.68 118.86 3pcf s LEU 50 Ca 0.12 -0.78 -0.04 0.00 -0.22 0.00 0.00 54.13 53.21 3pcf s LEU 50 Cb 0.00 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 3pcf s LEU 50 CO -0.01 -0.04 0.13 -0.76 -1.32 0.00 0.00 176.35 174.35 3pcf s LEU 51 N 1.27 4.23 0.10 -0.68 1.43 -0.38 -0.51 118.68 124.14 3pcf s LEU 51 Ca 0.02 0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 53.31 3pcf s LEU 51 Cb -0.14 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 43.88 3pcf s LEU 51 CO -0.11 0.34 0.41 -1.48 0.23 0.00 0.00 176.35 175.75 3pcf s LEU 52 N -1.38 0.35 0.00 1.79 -0.00 -0.55 -0.81 118.68 118.08 3pcf s LEU 52 Ca 0.20 -0.21 0.00 0.00 -0.00 0.00 0.00 54.13 54.12 3pcf s LEU 52 Cb -0.12 1.85 0.00 0.00 -0.00 0.00 0.00 46.19 47.92 3pcf s LEU 52 CO 0.10 -0.80 0.00 0.61 -0.00 0.00 0.00 176.35 176.25 3pcf n GLY 53 N -0.02 0.02 3.47 -3.48 0.00 -0.90 0.06 105.19 104.34 3pcf n GLY 53 Ca -0.17 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 3pcf n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3pcf s GLN 54 N -2.00 1.65 -0.12 1.61 -0.21 -1.26 -1.23 119.66 118.11 3pcf s GLN 54 Ca 0.00 -1.79 0.03 0.00 0.02 0.00 0.00 55.36 53.61 3pcf s GLN 54 Cb 0.00 -1.57 0.01 0.00 1.00 0.00 0.00 33.01 32.44 3pcf s GLN 54 CO 0.00 0.22 -0.20 0.08 -2.12 0.00 0.00 175.29 173.26 3pcf s VAL 55 N -2.67 1.88 0.05 1.09 1.01 -1.26 -1.23 120.40 119.27 3pcf s VAL 55 Ca 0.30 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3pcf s VAL 55 Cb -0.01 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3pcf s VAL 55 CO 0.14 0.52 -0.07 -0.31 0.00 0.00 0.00 175.10 175.37 3pcf s TYR 56 N 0.78 2.84 0.55 5.22 1.51 0.15 -0.58 117.35 127.81 3pcf s TYR 56 Ca -0.09 -0.09 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 3pcf s TYR 56 Cb -0.16 -1.54 0.11 0.00 -0.11 0.00 0.00 41.96 40.26 3pcf s TYR 56 CO 0.00 0.39 0.76 -0.40 -1.11 0.00 0.00 175.55 175.19 3pcf n ASP 57 N 1.17 1.18 0.23 2.29 5.68 0.12 -0.74 116.55 126.48 3pcf n ASP 57 Ca -0.14 -1.96 0.16 0.00 -0.50 0.00 0.00 54.79 52.35 3pcf n ASP 57 Cb 0.52 -0.47 0.75 0.00 -1.14 0.00 0.00 41.12 40.78 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 -0.36 0.00 -0.75 6.12 0.00 -1.88 -1.10 103.07 105.10 3pcf h GLY 58 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3pcf h GLY 58 CO 0.28 0.00 -0.26 0.70 0.00 0.00 0.00 176.54 177.27 3pcf n ASN 59 N -2.66 1.85 0.00 0.19 3.02 -1.26 -4.77 115.26 111.64 3pcf n ASN 59 Ca -0.01 -1.43 0.00 0.00 -0.03 0.00 0.00 54.58 53.11 3pcf n ASN 59 Cb 0.15 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 1.35 0.48 3.88 7.41 0.00 -0.41 -5.05 105.19 112.85 3pcf n GLY 60 Ca 0.12 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 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 3.58 0.36 1.61 3.76 -1.26 -4.79 115.29 116.55 3pcf s HIS 61 Ca 0.00 0.58 -0.27 0.00 -0.15 0.00 0.00 55.06 55.21 3pcf s HIS 61 Cb 0.00 -1.99 -0.10 0.00 1.11 0.00 0.00 32.58 31.60 3pcf s HIS 61 CO 0.00 0.61 1.28 -0.51 -0.85 0.00 0.00 174.74 175.28 3pcf s LEU 62 N -1.74 4.33 -0.54 0.89 1.43 -1.26 -0.71 118.68 121.08 3pcf s LEU 62 Ca 0.27 2.63 -0.15 0.00 -1.03 0.00 0.00 54.13 55.85 3pcf s LEU 62 Cb -0.13 -3.78 0.13 0.00 0.03 0.00 0.00 46.19 42.44 3pcf s LEU 62 CO 0.16 -0.65 0.48 -0.69 0.23 0.00 0.00 176.35 175.89 3pcf s VAL 63 N -1.21 5.07 -1.44 -1.59 1.01 0.25 -4.87 120.40 117.62 3pcf s VAL 63 Ca 0.52 -1.57 0.28 0.00 0.00 0.00 0.00 61.98 61.22 3pcf s VAL 63 Cb -0.38 -4.26 0.34 0.00 0.00 0.00 0.00 36.38 32.08 3pcf s VAL 63 CO 0.50 -0.86 1.79 0.54 0.00 0.00 0.00 175.10 177.07 3pcf n ARG 64 N 5.16 0.47 -0.30 2.72 1.74 -1.26 -3.73 116.66 121.46 3pcf n ARG 64 Ca -0.12 -0.17 0.07 0.00 -0.77 0.00 0.00 57.85 56.86 3pcf n ARG 64 Cb 0.40 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.55 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 -1.12 3.34 -4.79 0.55 5.68 -1.26 -4.04 116.55 114.92 3pcf n ASP 65 Ca 0.12 -2.63 -0.33 0.00 -0.50 0.00 0.00 54.79 51.45 3pcf n ASP 65 Cb 0.30 -0.40 0.03 0.00 -1.14 0.00 0.00 41.12 39.91 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 -1.64 5.43 -0.03 -1.12 1.04 -1.24 -4.63 113.70 111.50 3pcf s SER 66 Ca 0.33 1.90 0.01 0.00 0.48 0.00 0.00 55.95 58.66 3pcf s SER 66 Cb 0.24 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.84 3pcf s SER 66 CO 0.10 -1.41 -0.04 0.12 0.98 0.00 0.00 173.24 173.00 3pcf s PHE 67 N -2.43 0.58 0.05 5.02 5.36 -0.26 -2.52 117.98 123.78 3pcf s PHE 67 Ca 0.65 -0.13 0.06 0.00 -0.96 0.00 0.00 56.93 56.55 3pcf s PHE 67 Cb -0.18 -0.52 -0.02 0.00 -0.34 0.00 0.00 43.02 41.96 3pcf s PHE 67 CO 0.40 -0.13 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.36 3pcf s LEU 68 N 0.69 2.20 -0.02 6.12 1.02 0.10 -0.10 118.68 128.68 3pcf s LEU 68 Ca -0.08 -0.52 0.05 0.00 0.02 0.00 0.00 54.13 53.60 3pcf s LEU 68 Cb -0.12 -0.70 -0.01 0.00 0.02 0.00 0.00 46.19 45.38 3pcf s LEU 68 CO -0.00 0.05 -0.17 -1.61 0.02 0.00 0.00 176.35 174.64 3pcf s GLU 69 N -1.31 1.54 0.13 1.70 2.02 -0.75 -1.50 118.70 120.54 3pcf s GLU 69 Ca 0.03 -0.61 0.08 0.00 0.02 0.00 0.00 54.97 54.48 3pcf s GLU 69 Cb -0.09 -1.43 -0.04 0.00 0.10 0.00 0.00 34.13 32.68 3pcf s GLU 69 CO 0.02 0.32 -0.18 0.14 0.02 0.00 0.00 175.26 175.58 3pcf s VAL 70 N -0.23 1.66 -0.10 2.63 -7.23 -0.72 -1.15 120.40 115.27 3pcf s VAL 70 Ca 0.03 -1.71 -0.04 0.00 -1.81 0.00 0.00 61.98 58.45 3pcf s VAL 70 Cb -0.08 -1.64 0.05 0.00 0.56 0.00 0.00 36.38 35.26 3pcf s VAL 70 CO 0.00 -0.23 0.19 0.86 -0.31 0.00 0.00 175.10 175.61 3pcf s TRP 71 N -1.69 -0.26 0.15 2.82 -0.11 -0.22 -2.46 118.94 117.17 3pcf s TRP 71 Ca 0.10 0.70 -0.08 0.00 1.22 0.00 0.00 56.10 58.04 3pcf s TRP 71 Cb -0.07 -0.14 -0.01 0.00 -1.50 0.00 0.00 33.47 31.74 3pcf s TRP 71 CO 0.05 -0.27 0.25 1.14 -4.62 0.00 0.00 176.95 173.50 3pcf s GLN 72 N 2.06 1.08 0.49 5.86 -2.07 0.46 -1.04 119.66 126.50 3pcf s GLN 72 Ca -0.00 -1.14 -0.11 0.00 -1.82 0.00 0.00 55.36 52.29 3pcf s GLN 72 Cb -0.12 0.36 -0.06 0.00 -1.09 0.00 0.00 33.01 32.11 3pcf s GLN 72 CO -0.07 -0.38 0.88 0.00 -1.32 0.00 0.00 175.29 174.40 3pcf s ALA 73 N -3.95 3.25 1.00 2.60 0.00 -1.26 -4.47 121.76 118.92 3pcf s ALA 73 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3pcf s ALA 73 Cb 0.04 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.31 3pcf s ALA 73 CO -0.02 -0.29 0.00 -0.40 0.00 0.00 0.00 175.76 175.05 3pcf n ASP 74 N -1.90 -0.19 0.19 0.00 5.68 0.33 -4.20 116.55 116.45 3pcf n ASP 74 Ca 0.04 -0.35 0.04 0.00 -0.50 0.00 0.00 54.79 54.02 3pcf n ASP 74 Cb 0.54 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.89 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 -2.00 1.21 -0.07 2.12 0.00 -1.81 1.38 119.26 120.09 3pcf h ALA 75 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3pcf h ALA 75 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3pcf h ALA 75 CO 0.00 0.47 0.00 0.09 0.00 0.00 0.00 179.25 179.81 3pcf n ASN 76 N -3.85 0.56 -1.34 0.00 3.02 -1.26 -3.40 115.26 108.99 3pcf n ASN 76 Ca -0.01 -1.66 -0.08 0.00 -0.03 0.00 0.00 54.58 52.79 3pcf n ASN 76 Cb 0.44 -0.05 0.02 0.00 -0.61 0.00 0.00 39.78 39.58 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 0.83 0.30 3.26 7.41 0.00 -0.92 -4.79 105.19 111.28 3pcf n GLY 77 Ca 0.11 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 -5.09 2.00 -0.23 1.61 2.12 -1.26 -4.61 118.70 113.24 3pcf s GLU 78 Ca 0.14 -0.83 -0.19 0.00 0.36 0.00 0.00 54.97 54.45 3pcf s GLU 78 Cb -0.06 -1.86 -0.03 0.00 0.26 0.00 0.00 34.13 32.44 3pcf s GLU 78 CO 0.17 0.46 0.55 0.71 -0.54 0.00 0.00 175.26 176.61 3pcf s TYR 79 N -0.44 3.32 -0.63 5.30 2.02 -1.26 0.12 117.35 125.79 3pcf s TYR 79 Ca 0.06 0.75 -0.18 0.00 -0.37 0.00 0.00 57.07 57.34 3pcf s TYR 79 Cb -0.10 -2.73 0.13 0.00 -0.40 0.00 0.00 41.96 38.86 3pcf s TYR 79 CO 0.00 -0.20 0.68 -0.65 -1.57 0.00 0.00 175.55 173.81 3pcf s GLN 80 N 2.03 3.13 0.14 -0.62 -1.52 -1.26 -4.89 119.66 116.67 3pcf s GLN 80 Ca 0.24 -1.59 0.16 0.00 -1.95 0.00 0.00 55.36 52.21 3pcf s GLN 80 Cb -0.16 -4.33 -0.07 0.00 -0.22 0.00 0.00 33.01 28.23 3pcf s GLN 80 CO 0.09 -1.47 1.07 0.38 -0.25 0.00 0.00 175.29 175.11 3pcf h ASP 81 N 8.92 0.00 -0.81 5.90 2.03 -1.97 -3.24 116.42 127.24 3pcf h ASP 81 Ca -0.22 0.00 -0.39 0.00 -0.73 0.00 0.00 57.03 55.69 3pcf h ASP 81 Cb 1.08 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.52 3pcf h ASP 81 CO 1.04 0.56 1.02 0.00 -1.03 0.00 0.00 179.24 180.83 3pcf s ALA 82 N -2.93 2.02 0.10 4.15 0.00 -1.26 -4.92 121.76 118.91 3pcf s ALA 82 Ca -0.00 -1.81 -0.31 0.00 0.00 0.00 0.00 51.96 49.84 3pcf s ALA 82 Cb 0.08 -4.56 -0.08 0.00 0.00 0.00 0.00 23.12 18.57 3pcf s ALA 82 CO 0.79 -4.46 1.43 -0.47 0.00 0.00 0.00 175.76 173.04 3pcf s TYR 83 N 8.53 3.11 -0.27 0.00 6.14 -1.26 -4.98 117.35 128.62 3pcf s TYR 83 Ca 0.63 0.85 -0.18 0.00 0.64 0.00 0.00 57.07 59.01 3pcf s TYR 83 Cb -0.04 -3.72 0.07 0.00 0.42 0.00 0.00 41.96 38.69 3pcf s TYR 83 CO -0.02 -2.60 0.67 1.21 0.64 0.00 0.00 175.55 175.45 3pcf s ASN 84 N 1.33 -0.85 0.40 4.32 3.84 -1.26 -5.05 114.94 117.67 3pcf s ASN 84 Ca 0.66 1.44 0.15 0.00 0.21 0.00 0.00 52.86 55.32 3pcf s ASN 84 Cb -0.37 1.36 0.83 0.00 -0.55 0.00 0.00 41.25 42.52 3pcf s ASN 84 CO 0.30 -0.24 1.86 -0.07 -2.79 0.00 0.00 177.10 176.16 3pcf h LEU 85 N 6.36 0.00 -1.03 3.21 3.38 -1.98 -2.60 115.31 122.65 3pcf h LEU 85 Ca -0.30 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 3pcf h LEU 85 Cb 1.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 3pcf h LEU 85 CO 0.14 0.33 0.30 -0.33 0.09 0.00 0.00 178.44 178.96 3pcf h GLU 86 N 0.00 0.99 -6.16 1.13 5.08 -2.00 -3.45 114.58 110.18 3pcf h GLU 86 Ca -0.00 -0.15 -0.61 0.00 -1.00 0.00 0.00 59.36 57.59 3pcf h GLU 86 Cb 0.62 -0.18 0.15 0.00 0.50 0.00 0.00 28.75 29.84 3pcf h GLU 86 CO 0.04 0.79 -0.70 0.09 -1.00 0.00 0.00 179.01 178.23 3pcf n ASN 87 N -4.32 -1.98 0.08 1.42 3.02 -0.98 -4.88 115.26 107.62 3pcf n ASN 87 Ca 0.06 0.85 -0.05 0.00 -0.03 0.00 0.00 54.58 55.41 3pcf n ASN 87 Cb 0.16 -0.99 -0.04 0.00 -0.61 0.00 0.00 39.78 38.30 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 0.51 0.52 -2.97 5.41 0.00 -1.87 -3.45 119.26 117.41 3pcf h ALA 88 Ca -0.39 -0.80 -0.15 0.00 0.00 0.00 0.00 54.91 53.58 3pcf h ALA 88 Cb 1.43 -0.14 -0.24 0.00 0.00 0.00 0.00 17.79 18.83 3pcf h ALA 88 CO 0.49 1.10 -0.39 0.12 0.00 0.00 0.00 179.25 180.56 3pcf s PHE 89 N -2.94 -0.26 -0.04 0.00 2.19 -1.26 0.91 117.98 116.59 3pcf s PHE 89 Ca 0.01 0.60 0.03 0.00 0.33 0.00 0.00 56.93 57.90 3pcf s PHE 89 Cb 0.10 0.09 0.00 0.00 -1.31 0.00 0.00 43.02 41.90 3pcf s PHE 89 CO 0.80 -0.19 -0.13 -0.80 1.83 0.00 0.00 175.22 176.73 3pcf s ASN 90 N -0.17 1.68 0.49 6.13 0.01 0.58 -4.96 114.94 118.69 3pcf s ASN 90 Ca -0.03 -0.27 0.30 0.00 -0.71 0.00 0.00 52.86 52.15 3pcf s ASN 90 Cb -0.03 -0.47 1.03 0.00 0.41 0.00 0.00 41.25 42.19 3pcf s ASN 90 CO 0.01 0.10 1.86 0.28 -1.51 0.00 0.00 177.10 177.84 3pcf h SER 91 N 6.35 0.00 -3.04 -1.22 0.02 -1.78 -3.44 113.55 110.44 3pcf h SER 91 Ca -0.33 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.00 3pcf h SER 91 Cb 1.17 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.60 3pcf h SER 91 CO 0.48 0.00 -0.66 0.12 -1.14 0.00 0.00 176.83 175.63 3pcf s PHE 92 N -3.50 2.88 0.30 3.45 5.36 -1.26 -0.41 117.98 124.79 3pcf s PHE 92 Ca 0.03 -0.11 -0.19 0.00 -0.96 0.00 0.00 56.93 55.70 3pcf s PHE 92 Cb 0.08 -1.42 0.06 0.00 -0.34 0.00 0.00 43.02 41.39 3pcf s PHE 92 CO 0.57 0.50 0.86 0.20 -1.46 0.00 0.00 175.22 175.89 3pcf s GLY 93 N -2.74 0.17 -0.04 13.12 0.00 -1.03 -4.83 107.32 111.97 3pcf s GLY 93 Ca 0.27 -0.49 -0.09 0.00 0.00 0.00 0.00 44.72 44.41 3pcf s GLY 93 CO 0.18 0.41 0.21 0.50 0.00 0.00 0.00 173.10 174.41 3pcf s ARG 94 N -2.64 0.41 0.17 2.90 0.52 -0.53 -1.75 118.95 118.03 3pcf s ARG 94 Ca 0.16 -0.00 -0.12 0.00 -0.52 0.00 0.00 55.73 55.24 3pcf s ARG 94 Cb -0.04 0.18 0.01 0.00 0.52 0.00 0.00 34.95 35.62 3pcf s ARG 94 CO 0.08 -0.08 0.37 -0.08 0.02 0.00 0.00 175.30 175.61 3pcf s THR 95 N -0.62 0.05 0.10 0.02 -1.32 -0.56 -1.19 115.64 112.13 3pcf s THR 95 Ca -0.07 -1.14 -0.07 0.00 -1.21 0.00 0.00 61.69 59.20 3pcf s THR 95 Cb -0.04 -1.71 -0.01 0.00 -1.51 0.00 0.00 72.50 69.23 3pcf s THR 95 CO 0.01 -0.25 0.18 0.00 -2.21 0.00 0.00 174.62 172.35 3pcf s ALA 96 N -3.93 -0.01 0.03 11.08 0.00 -1.26 -0.73 121.76 126.95 3pcf s ALA 96 Ca 0.13 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 51.14 3pcf s ALA 96 Cb 0.02 0.58 -0.06 0.00 0.00 0.00 0.00 23.12 23.65 3pcf s ALA 96 CO -0.02 -0.52 0.43 0.95 0.00 0.00 0.00 175.76 176.60 3pcf s THR 97 N -3.91 5.01 0.35 0.00 -4.23 -1.05 -4.17 115.64 107.64 3pcf s THR 97 Ca 0.09 0.79 -0.29 0.00 -1.18 0.00 0.00 61.69 61.10 3pcf s THR 97 Cb 0.05 -3.71 -0.11 0.00 1.34 0.00 0.00 72.50 70.07 3pcf s THR 97 CO -0.07 0.49 1.47 0.42 -0.54 0.00 0.00 174.62 176.39 3pcf s THR 98 N -1.18 2.21 0.25 3.99 -4.23 -1.00 -4.62 115.64 111.06 3pcf s THR 98 Ca 0.27 0.20 0.37 0.00 -1.18 0.00 0.00 61.69 61.34 3pcf s THR 98 Cb -0.16 -3.13 0.40 0.00 1.34 0.00 0.00 72.50 70.95 3pcf s THR 98 CO 0.15 0.04 2.09 -0.26 -0.54 0.00 0.00 174.62 176.11 3pcf h PHE 99 N 3.49 0.00 0.00 3.99 0.04 -1.94 0.39 116.94 122.91 3pcf h PHE 99 Ca -0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.27 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 -3.01 0.00 -0.31 2.17 5.75 -1.26 -4.70 116.55 115.19 3pcf n ASP 100 Ca -0.01 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.81 3pcf n ASP 100 Cb 0.21 -0.03 0.24 0.00 -1.03 0.00 0.00 41.12 40.51 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 -1.94 1.51 -1.51 2.12 0.00 -1.98 -3.46 119.26 114.00 3pcf h ALA 101 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 3pcf h ALA 101 Cb 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.53 3pcf h ALA 101 CO 0.00 0.36 -0.17 0.41 0.00 0.00 0.00 179.25 179.85 3pcf n GLY 102 N -1.39 0.31 3.33 0.00 0.00 0.13 -4.92 105.19 102.64 3pcf n GLY 102 Ca 0.14 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.76 1.66 0.18 1.61 2.12 -1.26 -4.43 118.70 113.82 3pcf s GLU 103 Ca 0.07 -1.11 0.08 0.00 0.36 0.00 0.00 54.97 54.37 3pcf s GLU 103 Cb -0.03 -1.87 -0.04 0.00 0.26 0.00 0.00 34.13 32.45 3pcf s GLU 103 CO 0.09 0.48 -0.02 1.67 -0.54 0.00 0.00 175.26 176.94 3pcf s TRP 104 N -0.84 2.80 0.01 5.30 1.48 -0.36 -2.38 118.94 124.94 3pcf s TRP 104 Ca 0.11 -0.16 -0.02 0.00 -1.06 0.00 0.00 56.10 54.97 3pcf s TRP 104 Cb -0.10 -1.35 -0.01 0.00 -1.16 0.00 0.00 33.47 30.85 3pcf s TRP 104 CO 0.02 0.52 0.03 0.95 -4.06 0.00 0.00 176.95 174.42 3pcf s THR 105 N -1.76 0.08 0.01 0.66 -4.23 -1.26 -2.12 115.64 107.02 3pcf s THR 105 Ca 0.27 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 3pcf s THR 105 Cb -0.09 -0.27 -0.01 0.00 1.34 0.00 0.00 72.50 73.47 3pcf s THR 105 CO 0.18 -0.36 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.65 3pcf s LEU 106 N -1.13 2.15 -0.23 4.79 2.96 0.01 -4.83 118.68 122.40 3pcf s LEU 106 Ca -0.12 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 3pcf s LEU 106 Cb -0.07 0.04 0.04 0.00 0.50 0.00 0.00 46.19 46.70 3pcf s LEU 106 CO -0.00 -0.18 -0.14 -1.00 -1.32 0.00 0.00 176.35 173.71 3pcf s HIS 107 N -0.91 3.05 0.00 5.38 3.76 0.78 -1.25 115.29 126.09 3pcf s HIS 107 Ca -0.10 -1.96 0.00 0.00 -0.15 0.00 0.00 55.06 52.86 3pcf s HIS 107 Cb -0.06 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.68 3pcf s HIS 107 CO -0.01 -0.83 0.00 -2.37 -0.85 0.00 0.00 174.74 170.68 3pcf n THR 108 N 4.54 0.00 -4.40 1.30 5.66 -1.02 -0.24 114.28 120.12 3pcf n THR 108 Ca -0.17 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.61 3pcf n THR 108 Cb 0.46 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.11 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 -2.25 1.41 0.14 1.08 -7.23 -1.26 -0.45 120.40 111.84 3pcf s VAL 109 Ca 0.00 -1.22 -0.31 0.00 -1.81 0.00 0.00 61.98 58.64 3pcf s VAL 109 Cb 0.00 -1.27 -0.10 0.00 0.56 0.00 0.00 36.38 35.56 3pcf s VAL 109 CO 0.00 0.02 1.78 -0.75 -0.31 0.00 0.00 175.10 175.85 3pcf s LYS 110 N -1.39 4.14 0.46 4.82 2.20 -0.75 -4.89 119.74 124.34 3pcf s LYS 110 Ca 0.04 2.57 -0.22 0.00 -0.36 0.00 0.00 55.97 57.99 3pcf s LYS 110 Cb -0.09 -3.48 -0.08 0.00 -1.51 0.00 0.00 37.83 32.67 3pcf s LYS 110 CO 0.02 -0.81 1.12 -1.25 -0.36 0.00 0.00 175.35 174.07 3pcf s PRO 111 N 2.38 3.79 0.94 4.03 0.04 -1.26 -4.27 135.00 140.65 3pcf s PRO 111 Ca 0.79 1.63 -0.14 0.00 0.04 0.00 0.00 61.00 63.32 3pcf s PRO 111 Cb -0.46 -2.33 0.16 0.00 0.04 0.00 0.00 34.50 31.92 3pcf s PRO 111 CO 0.35 -0.50 1.21 0.20 0.04 0.00 0.00 177.00 178.30 3pcf s GLY 112 N -1.56 1.65 0.11 0.56 0.00 0.47 -4.72 107.32 103.83 3pcf s GLY 112 Ca 0.64 -0.83 -0.25 0.00 0.00 0.00 0.00 44.72 44.28 3pcf s GLY 112 CO 0.30 -0.18 0.78 0.14 0.00 0.00 0.00 173.10 174.13 3pcf s VAL 113 N -3.52 4.53 0.17 1.40 1.01 -1.26 -4.36 120.40 118.36 3pcf s VAL 113 Ca 0.68 1.68 0.08 0.00 0.00 0.00 0.00 61.98 64.42 3pcf s VAL 113 Cb -0.10 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 3pcf s VAL 113 CO 0.52 0.45 -0.17 0.68 0.00 0.00 0.00 175.10 176.59 3pcf s VAL 114 N -0.65 1.75 0.26 2.92 -7.23 -1.26 -4.51 120.40 111.68 3pcf s VAL 114 Ca 0.37 -1.98 0.05 0.00 -1.81 0.00 0.00 61.98 58.62 3pcf s VAL 114 Cb -0.22 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 3pcf s VAL 114 CO 0.25 -0.40 0.38 0.20 -0.31 0.00 0.00 175.10 175.22 3pcf s ASN 115 N -2.82 6.27 1.02 4.85 0.01 -1.26 -0.26 114.94 122.75 3pcf s ASN 115 Ca 0.17 0.05 -0.11 0.00 -0.71 0.00 0.00 52.86 52.25 3pcf s ASN 115 Cb -0.04 -1.79 0.16 0.00 0.41 0.00 0.00 41.25 39.99 3pcf s ASN 115 CO 0.06 -0.12 0.86 -0.46 -1.51 0.00 0.00 177.10 175.93 3pcf n ASN 116 N -1.45 -0.16 -0.08 -1.22 0.23 0.11 -4.84 115.26 107.85 3pcf n ASN 116 Ca -0.08 -1.27 0.02 0.00 -0.53 0.00 0.00 54.58 52.72 3pcf n ASN 116 Cb 0.57 -0.67 0.33 0.00 -2.08 0.00 0.00 39.78 37.92 3pcf n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pcf h ALA 117 N -1.94 1.53 0.00 -2.53 0.00 -2.00 0.63 119.26 114.95 3pcf h ALA 117 Ca -0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3pcf h ALA 117 Cb 0.79 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3pcf h ALA 117 CO 0.20 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.84 3pcf n ALA 118 N -2.46 2.29 -0.67 0.00 0.00 -1.26 -4.87 120.51 113.54 3pcf n ALA 118 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3pcf n ALA 118 Cb 0.10 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 0.63 0.72 3.68 0.00 0.00 0.21 -5.04 105.19 105.40 3pcf n GLY 119 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.44 5.13 0.37 1.61 1.01 -1.26 -4.73 120.40 120.09 3pcf s VAL 120 Ca 0.00 0.96 -0.28 0.00 0.00 0.00 0.00 61.98 62.66 3pcf s VAL 120 Cb 0.00 -3.84 -0.11 0.00 0.00 0.00 0.00 36.38 32.44 3pcf s VAL 120 CO 0.00 0.23 1.45 -2.16 0.00 0.00 0.00 175.10 174.62 3pcf s PRO 121 N 1.28 4.15 0.05 2.72 0.04 -1.26 0.09 135.00 142.05 3pcf s PRO 121 Ca 0.25 2.50 0.01 0.00 0.04 0.00 0.00 61.00 63.80 3pcf s PRO 121 Cb -0.15 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 3pcf s PRO 121 CO 0.10 -0.47 0.09 -1.64 0.04 0.00 0.00 177.00 175.12 3pcf s MET 122 N -2.05 3.00 0.66 4.56 -1.94 0.64 -4.39 119.30 119.80 3pcf s MET 122 Ca 0.52 -0.59 -0.16 0.00 -1.71 0.00 0.00 55.69 53.75 3pcf s MET 122 Cb -0.45 -2.81 0.00 0.00 2.01 0.00 0.00 34.83 33.59 3pcf s MET 122 CO 0.61 0.60 1.18 0.00 -0.01 0.00 0.00 175.02 177.40 3pcf s ALA 123 N -1.32 2.36 0.23 3.03 0.00 -1.26 -4.02 121.76 120.77 3pcf s ALA 123 Ca 0.27 0.83 -0.31 0.00 0.00 0.00 0.00 51.96 52.75 3pcf s ALA 123 Cb -0.12 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.44 3pcf s ALA 123 CO 0.19 -1.47 1.32 -0.35 0.00 0.00 0.00 175.76 175.46 3pcf n PRO 124 N -2.25 1.80 -3.61 0.00 -0.04 -1.26 -4.86 135.00 124.78 3pcf n PRO 124 Ca 0.13 0.64 -0.11 0.00 -0.04 0.00 0.00 63.50 64.12 3pcf n PRO 124 Cb 0.50 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.69 3pcf n PRO 124 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3pcf s HIS 125 N -0.19 -0.27 -0.15 0.54 -3.43 -1.26 -4.40 115.29 106.13 3pcf s HIS 125 Ca 0.68 -0.02 0.02 0.00 -0.80 0.00 0.00 55.06 54.93 3pcf s HIS 125 Cb -0.70 0.39 0.02 0.00 -1.43 0.00 0.00 32.58 30.86 3pcf s HIS 125 CO 0.51 -0.81 -0.20 0.42 -2.00 0.00 0.00 174.74 172.67 3pcf s ILE 126 N -3.81 1.95 -0.07 -5.38 1.01 0.40 -4.63 121.20 110.66 3pcf s ILE 126 Ca 0.04 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.51 3pcf s ILE 126 Cb 0.00 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 3pcf s ILE 126 CO -0.09 0.52 0.97 0.20 0.00 0.00 0.00 174.94 176.54 3pcf s ASN 127 N 1.09 7.25 0.02 3.58 0.01 -0.20 0.18 114.94 126.88 3pcf s ASN 127 Ca -0.01 1.53 0.08 0.00 -0.71 0.00 0.00 52.86 53.75 3pcf s ASN 127 Cb -0.14 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 3pcf s ASN 127 CO -0.07 -0.36 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.29 3pcf s ILE 128 N 1.60 1.94 -0.14 0.60 1.01 -0.12 -1.05 121.20 125.05 3pcf s ILE 128 Ca 0.48 -1.21 0.02 0.00 0.00 0.00 0.00 60.65 59.94 3pcf s ILE 128 Cb -0.19 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.65 3pcf s ILE 128 CO 0.21 0.40 -0.18 -0.44 0.00 0.00 0.00 174.94 174.93 3pcf s SER 129 N -0.97 2.80 -0.17 3.58 0.01 -0.30 -0.88 113.70 117.77 3pcf s SER 129 Ca 0.10 -0.53 -0.07 0.00 1.31 0.00 0.00 55.95 56.76 3pcf s SER 129 Cb -0.09 -1.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.82 3pcf s SER 129 CO 0.01 0.02 0.06 -0.22 0.41 0.00 0.00 173.24 173.52 3pcf s LEU 130 N 1.08 3.83 0.10 2.44 2.96 0.20 -1.81 118.68 127.48 3pcf s LEU 130 Ca -0.03 0.11 0.08 0.00 -0.22 0.00 0.00 54.13 54.07 3pcf s LEU 130 Cb -0.14 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 3pcf s LEU 130 CO -0.05 0.20 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.61 3pcf s PHE 131 N 0.22 1.75 0.00 5.38 0.40 0.86 -2.21 117.98 124.38 3pcf s PHE 131 Ca 0.04 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 3pcf s PHE 131 Cb -0.12 -0.96 0.00 0.00 0.51 0.00 0.00 43.02 42.44 3pcf s PHE 131 CO 0.00 0.19 0.00 0.00 0.70 0.00 0.00 175.22 176.11 3pcf n ALA 132 N 1.15 0.00 -1.71 5.36 0.00 -1.26 -1.10 120.51 122.95 3pcf n ALA 132 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 3pcf n ALA 132 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 3pcf n ALA 132 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3pcf n ARG 133 N -0.41 2.30 -0.12 0.00 1.85 -1.25 -0.28 116.66 118.75 3pcf n ARG 133 Ca 0.00 0.81 0.00 0.00 -1.00 0.00 0.00 57.85 57.66 3pcf n ARG 133 Cb 0.00 -2.49 0.00 0.00 -1.05 0.00 0.00 32.46 28.92 3pcf n ARG 133 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3pcf n GLY 134 N 1.55 1.13 3.16 2.89 0.00 -1.26 -4.95 105.19 107.71 3pcf n GLY 134 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.55 3.30 0.18 -0.61 1.01 0.61 -4.97 121.20 118.17 3pcf s ILE 135 Ca 0.00 -1.74 -0.10 0.00 0.00 0.00 0.00 60.65 58.81 3pcf s ILE 135 Cb 0.00 -3.11 0.07 0.00 0.01 0.00 0.00 42.46 39.43 3pcf s ILE 135 CO 0.00 -0.46 1.67 0.78 0.00 0.00 0.00 174.94 176.92 3pcf h ASN 136 N 8.07 0.99 -3.67 3.58 2.35 -1.90 -3.30 115.58 121.71 3pcf h ASN 136 Ca -0.17 -0.27 -0.39 0.00 -0.55 0.00 0.00 56.30 54.93 3pcf h ASN 136 Cb 1.06 -0.26 -0.32 0.00 0.05 0.00 0.00 38.32 38.85 3pcf h ASN 136 CO 0.64 1.01 -0.77 -0.51 -1.65 0.00 0.00 177.43 176.15 3pcf s ILE 137 N -5.18 0.53 0.50 2.81 2.07 -1.26 -2.76 121.20 117.92 3pcf s ILE 137 Ca -0.12 -0.19 -0.23 0.00 -1.41 0.00 0.00 60.65 58.70 3pcf s ILE 137 Cb 0.13 -0.51 -0.06 0.00 0.13 0.00 0.00 42.46 42.15 3pcf s ILE 137 CO 0.84 0.19 1.38 0.00 -1.91 0.00 0.00 174.94 175.45 3pcf n HIS 138 N 3.57 2.45 -3.50 3.50 1.44 -1.26 -5.01 115.22 116.42 3pcf n HIS 138 Ca -0.21 0.44 -0.37 0.00 -2.01 0.00 0.00 57.72 55.57 3pcf n HIS 138 Cb 0.53 -2.40 -0.06 0.00 0.12 0.00 0.00 29.99 28.18 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 -3.05 4.33 -0.21 2.39 1.43 -0.94 -4.89 118.68 117.74 3pcf s LEU 139 Ca 0.67 0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 54.41 3pcf s LEU 139 Cb -0.43 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 3pcf s LEU 139 CO 0.53 0.16 0.07 -1.00 0.23 0.00 0.00 176.35 176.35 3pcf s HIS 140 N -0.05 3.20 0.30 0.29 3.76 -1.26 0.62 115.29 122.15 3pcf s HIS 140 Ca 0.21 -0.06 0.01 0.00 -0.15 0.00 0.00 55.06 55.07 3pcf s HIS 140 Cb -0.14 -2.15 -0.02 0.00 1.11 0.00 0.00 32.58 31.38 3pcf s HIS 140 CO 0.08 -0.01 0.32 -0.08 -0.85 0.00 0.00 174.74 174.19 3pcf s THR 141 N 0.83 0.00 0.01 1.30 -1.32 -0.06 -0.62 115.64 115.78 3pcf s THR 141 Ca 0.04 -1.84 0.01 0.00 -1.21 0.00 0.00 61.69 58.69 3pcf s THR 141 Cb -0.14 -2.52 -0.01 0.00 -1.51 0.00 0.00 72.50 68.32 3pcf s THR 141 CO 0.02 0.00 -0.05 -0.13 -2.21 0.00 0.00 174.62 172.25 3pcf s ARG 142 N -3.53 0.38 -0.12 7.08 0.52 -1.26 -0.94 118.95 121.07 3pcf s ARG 142 Ca 0.36 -0.36 -0.04 0.00 -0.52 0.00 0.00 55.73 55.17 3pcf s ARG 142 Cb 0.02 -0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.19 3pcf s ARG 142 CO 0.21 0.06 0.02 -1.17 0.02 0.00 0.00 175.30 174.43 3pcf s LEU 143 N -0.65 3.62 0.28 2.53 0.20 0.48 -4.84 118.68 120.31 3pcf s LEU 143 Ca -0.03 0.11 0.11 0.00 0.69 0.00 0.00 54.13 55.01 3pcf s LEU 143 Cb -0.05 -1.86 -0.05 0.00 -0.43 0.00 0.00 46.19 43.81 3pcf s LEU 143 CO -0.00 0.31 -0.16 -0.31 -0.29 0.00 0.00 176.35 175.90 3pcf s TYR 144 N -0.44 2.36 -0.13 5.38 2.02 -0.82 -0.46 117.35 125.26 3pcf s TYR 144 Ca 0.08 -0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 56.42 3pcf s TYR 144 Cb -0.12 -1.06 -0.03 0.00 -0.40 0.00 0.00 41.96 40.35 3pcf s TYR 144 CO 0.02 0.69 0.00 -0.06 -1.57 0.00 0.00 175.55 174.64 3pcf s PHE 145 N -2.49 3.14 0.35 2.71 0.08 -1.26 0.12 117.98 120.63 3pcf s PHE 145 Ca 0.30 0.03 0.34 0.00 0.12 0.00 0.00 56.93 57.73 3pcf s PHE 145 Cb -0.05 -1.90 1.66 0.00 -0.57 0.00 0.00 43.02 42.16 3pcf s PHE 145 CO 0.16 0.26 2.11 0.38 -0.10 0.00 0.00 175.22 178.03 3pcf h ASP 146 N 5.91 0.00 -0.40 1.36 2.03 -1.37 -2.24 116.42 121.72 3pcf h ASP 146 Ca -0.42 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.75 3pcf h ASP 146 Cb 1.19 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.61 3pcf h ASP 146 CO 0.60 0.05 0.16 -0.90 -1.03 0.00 0.00 179.24 178.12 3pcf n ASP 147 N -3.27 3.42 -1.03 4.15 5.68 -1.26 -3.89 116.55 120.35 3pcf n ASP 147 Ca -0.01 -2.64 0.05 0.00 -0.50 0.00 0.00 54.79 51.68 3pcf n ASP 147 Cb 0.23 -0.63 0.09 0.00 -1.14 0.00 0.00 41.12 39.67 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 0.01 0.64 -0.34 0.11 -0.58 -0.84 -4.89 120.64 114.74 3pcf n GLU 148 Ca 0.22 -2.43 0.08 0.00 -0.42 0.00 0.00 57.16 54.61 3pcf n GLU 148 Cb 0.91 -0.70 0.17 0.00 -0.57 0.00 0.00 31.44 31.25 3pcf n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pcf n ALA 149 N -0.22 0.30 0.32 0.62 0.00 -1.25 -0.49 120.51 119.78 3pcf n ALA 149 Ca 0.11 1.06 -0.17 0.00 0.00 0.00 0.00 53.44 54.43 3pcf n ALA 149 Cb 0.92 -0.67 -0.09 0.00 0.00 0.00 0.00 19.45 19.62 3pcf n ALA 149 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3pcf h GLN 150 N 0.00 -0.89 -0.25 0.00 4.20 -1.94 0.22 115.11 116.45 3pcf h GLN 150 Ca 0.50 0.06 0.05 0.00 0.06 0.00 0.00 58.65 59.31 3pcf h GLN 150 Cb 0.84 0.20 -0.05 0.00 0.30 0.00 0.00 27.48 28.77 3pcf h GLN 150 CO -0.97 -0.60 -0.05 0.00 -0.67 0.00 0.00 178.83 176.55 3pcf h ALA 151 N -0.63 0.18 -0.82 3.87 0.00 -1.62 -2.02 119.26 118.21 3pcf h ALA 151 Ca -0.06 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.03 3pcf h ALA 151 Cb 0.77 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 3pcf h ALA 151 CO 0.03 -0.46 0.47 -0.91 0.00 0.00 0.00 179.25 178.38 3pcf h ASN 152 N 0.02 0.67 -0.79 0.00 2.35 -0.59 0.13 115.58 117.37 3pcf h ASN 152 Ca 0.12 0.05 0.18 0.00 -0.55 0.00 0.00 56.30 56.09 3pcf h ASN 152 Cb 0.18 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 3pcf h ASN 152 CO -0.24 0.38 0.53 0.00 -1.65 0.00 0.00 177.43 176.45 3pcf h ALA 153 N 1.46 2.24 -0.47 -0.83 0.00 0.20 -2.46 119.26 119.40 3pcf h ALA 153 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3pcf h ALA 153 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3pcf h ALA 153 CO -0.25 -0.47 0.00 1.63 0.00 0.00 0.00 179.25 180.16 3pcf n LYS 154 N -4.46 2.82 -2.00 0.00 5.02 0.37 -4.95 118.16 114.96 3pcf n LYS 154 Ca 0.16 -2.24 -0.42 0.00 -2.02 0.00 0.00 58.31 53.79 3pcf n LYS 154 Cb 0.63 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 34.25 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 7.57 0.06 0.05 0.00 0.13 -1.91 -0.39 132.00 137.52 3pcf h PRO 156 Ca -0.42 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3pcf h PRO 156 Cb 1.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3pcf h PRO 156 CO 0.91 0.17 -0.02 0.28 -0.23 0.00 0.00 178.00 179.10 3pcf h VAL 157 N 0.06 1.03 0.00 1.56 2.07 -1.93 -3.16 116.25 115.88 3pcf h VAL 157 Ca 0.01 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 3pcf h VAL 157 Cb 0.22 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3pcf h VAL 157 CO 0.01 0.32 -0.03 0.25 0.02 0.00 0.00 177.57 178.15 3pcf h LEU 158 N -0.94 0.00 -0.97 2.57 5.85 -1.88 0.04 115.31 119.98 3pcf h LEU 158 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3pcf h LEU 158 Cb 0.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3pcf h LEU 158 CO 0.01 0.03 0.00 0.78 -0.34 0.00 0.00 178.44 178.92 3pcf h ASN 159 N 0.00 0.00 0.58 1.25 2.35 -1.13 -2.70 115.58 115.93 3pcf h ASN 159 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3pcf h ASN 159 Cb 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3pcf h ASN 159 CO 0.00 0.00 -0.19 -0.07 -1.65 0.00 0.00 177.43 175.53 3pcf h LEU 160 N 0.00 0.00 -8.94 1.61 3.38 -0.94 -3.41 115.31 107.02 3pcf h LEU 160 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3pcf h LEU 160 Cb 0.65 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3pcf h LEU 160 CO 0.00 0.19 1.05 -0.63 0.09 0.00 0.00 178.44 179.13 3pcf s ILE 161 N -3.97 3.94 0.07 1.22 1.01 -1.02 -4.92 121.20 117.52 3pcf s ILE 161 Ca -0.02 1.03 -0.19 0.00 0.00 0.00 0.00 60.65 61.48 3pcf s ILE 161 Cb 0.12 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 3pcf s ILE 161 CO 0.62 -0.49 1.31 -0.33 0.00 0.00 0.00 174.94 176.05 3pcf h GLU 162 N 10.16 -0.22 -5.71 2.79 5.08 -1.89 -3.39 114.58 121.40 3pcf h GLU 162 Ca -0.29 0.02 -0.60 0.00 -1.00 0.00 0.00 59.36 57.49 3pcf h GLU 162 Cb 1.12 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.32 3pcf h GLU 162 CO 1.04 -0.15 0.37 -0.65 -1.00 0.00 0.00 179.01 178.62 3pcf s GLN 163 N -4.49 4.16 0.27 2.33 -1.52 -1.26 -4.97 119.66 114.19 3pcf s GLN 163 Ca -0.08 0.82 -0.00 0.00 -1.95 0.00 0.00 55.36 54.15 3pcf s GLN 163 Cb 0.05 -3.64 0.52 0.00 -0.22 0.00 0.00 33.01 29.72 3pcf s GLN 163 CO 0.34 -0.48 1.80 -1.35 -0.25 0.00 0.00 175.29 175.36 3pcf h PRO 164 N 7.73 0.80 -0.96 2.91 0.11 -1.97 -1.78 132.00 138.84 3pcf h PRO 164 Ca -0.24 -0.05 0.20 0.00 0.11 0.00 0.00 66.00 66.02 3pcf h PRO 164 Cb 1.10 -0.18 -0.11 0.00 0.11 0.00 0.00 31.00 31.92 3pcf h PRO 164 CO 0.84 0.53 0.55 1.96 -0.21 0.00 0.00 178.00 181.67 3pcf h GLN 165 N 0.83 0.62 0.00 1.05 7.50 -1.95 0.24 115.11 123.39 3pcf h GLN 165 Ca 0.47 -0.04 -0.08 0.00 0.50 0.00 0.00 58.65 59.51 3pcf h GLN 165 Cb 0.53 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.91 3pcf h GLN 165 CO -0.29 0.41 -0.36 0.00 -1.50 0.00 0.00 178.83 177.08 3pcf h ARG 166 N 0.64 0.00 -0.86 1.46 3.08 -1.72 -3.05 114.38 113.93 3pcf h ARG 166 Ca 0.58 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.66 3pcf h ARG 166 Cb 0.98 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.98 3pcf h ARG 166 CO -0.43 0.36 0.56 0.00 -1.07 0.00 0.00 179.97 179.40 3pcf h ARG 167 N 0.00 1.04 0.00 0.04 3.08 -0.96 -1.89 114.38 115.69 3pcf h ARG 167 Ca -0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3pcf h ARG 167 Cb 0.68 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3pcf h ARG 167 CO 0.05 0.69 -0.07 0.93 -1.07 0.00 0.00 179.97 180.49 3pcf h GLU 168 N 1.07 0.00 0.00 0.04 5.08 -1.52 -1.06 114.58 118.19 3pcf h GLU 168 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3pcf h GLU 168 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3pcf h GLU 168 CO -0.10 0.07 0.00 1.79 -1.00 0.00 0.00 179.01 179.77 3pcf h THR 169 N 0.00 0.00 0.00 1.13 1.35 -1.47 -2.21 112.91 111.71 3pcf h THR 169 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3pcf h THR 169 Cb 0.25 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3pcf h THR 169 CO 0.01 0.00 -0.52 0.18 -0.25 0.00 0.00 175.52 174.94 3pcf n LEU 170 N -2.83 0.51 -4.62 3.87 4.77 -0.40 -4.79 117.00 113.52 3pcf n LEU 170 Ca -0.01 -0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.57 3pcf n LEU 170 Cb 0.15 -0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 3pcf n LEU 170 CO 0.20 0.12 0.20 -0.63 -1.33 0.00 0.00 177.39 175.96 3pcf s ILE 171 N -3.01 5.10 0.24 -0.08 1.09 -0.83 -1.95 121.20 121.75 3pcf s ILE 171 Ca 0.11 0.81 -0.30 0.00 -1.10 0.00 0.00 60.65 60.17 3pcf s ILE 171 Cb 0.17 -3.80 -0.09 0.00 -1.06 0.00 0.00 42.46 37.69 3pcf s ILE 171 CO 0.70 0.11 1.07 0.00 -0.10 0.00 0.00 174.94 176.72 3pcf s ALA 172 N 2.22 3.38 -0.47 9.38 0.00 0.31 -4.82 121.76 131.76 3pcf s ALA 172 Ca 0.20 0.82 -0.20 0.00 0.00 0.00 0.00 51.96 52.77 3pcf s ALA 172 Cb -0.16 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.69 3pcf s ALA 172 CO 0.09 -0.11 0.66 0.15 0.00 0.00 0.00 175.76 176.55 3pcf s LYS 173 N -1.02 3.23 0.36 0.00 1.02 -0.71 -0.97 119.74 121.65 3pcf s LYS 173 Ca 0.46 -0.53 -0.28 0.00 0.02 0.00 0.00 55.97 55.63 3pcf s LYS 173 Cb -0.30 -4.01 -0.11 0.00 -0.52 0.00 0.00 37.83 32.89 3pcf s LYS 173 CO 0.37 -1.12 1.51 -2.13 -0.92 0.00 0.00 175.35 173.06 3pcf n ARG 174 N 6.34 2.67 -2.01 1.68 0.63 -1.26 -1.23 116.66 123.48 3pcf n ARG 174 Ca -0.03 0.94 -0.03 0.00 -0.92 0.00 0.00 57.85 57.81 3pcf n ARG 174 Cb 0.47 -2.68 -0.00 0.00 0.45 0.00 0.00 32.46 30.70 3pcf n ARG 174 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3pcf s GLU 176 N -2.14 0.85 -0.15 0.00 2.12 -1.26 -1.10 118.70 117.03 3pcf s GLU 176 Ca 0.06 -0.55 -0.02 0.00 0.36 0.00 0.00 54.97 54.82 3pcf s GLU 176 Cb -0.01 -0.82 0.05 0.00 0.26 0.00 0.00 34.13 33.61 3pcf s GLU 176 CO 0.05 0.21 0.02 0.08 -0.54 0.00 0.00 175.26 175.08 3pcf s VAL 177 N -0.56 0.48 -1.39 3.70 1.01 0.41 -4.76 120.40 119.28 3pcf s VAL 177 Ca 0.02 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 3pcf s VAL 177 Cb -0.06 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.50 3pcf s VAL 177 CO 0.00 -0.03 1.00 0.47 0.00 0.00 0.00 175.10 176.54 3pcf n ASP 178 N 5.08 -4.21 -0.55 3.32 8.00 -1.26 0.17 116.55 127.11 3pcf n ASP 178 Ca -0.08 -0.69 -0.07 0.00 0.71 0.00 0.00 54.79 54.65 3pcf n ASP 178 Cb 0.48 -4.45 -0.03 0.00 -0.02 0.00 0.00 41.12 37.10 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 -1.69 0.81 3.71 0.44 0.00 -1.26 -4.98 105.19 102.21 3pcf n GLY 179 Ca -0.08 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.30 2.72 -0.06 1.61 2.20 0.13 -5.07 119.74 118.97 3pcf s LYS 180 Ca 0.00 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.60 3pcf s LYS 180 Cb 0.00 -2.64 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 3pcf s LYS 180 CO 0.00 0.58 1.39 0.99 -0.36 0.00 0.00 175.35 177.94 3pcf s THR 181 N -1.25 3.90 0.18 3.43 2.01 -1.26 0.15 115.64 122.80 3pcf s THR 181 Ca 0.24 1.20 0.07 0.00 0.31 0.00 0.00 61.69 63.51 3pcf s THR 181 Cb -0.12 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.57 3pcf s THR 181 CO 0.16 -0.05 -0.14 0.00 -0.69 0.00 0.00 174.62 173.91 3pcf s ALA 182 N 2.93 1.84 -0.03 7.40 0.00 -0.26 -1.02 121.76 132.62 3pcf s ALA 182 Ca 0.62 -1.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 3pcf s ALA 182 Cb -0.28 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 22.81 3pcf s ALA 182 CO 0.23 0.04 0.03 0.71 0.00 0.00 0.00 175.76 176.77 3pcf s TYR 183 N -2.95 0.11 -0.20 0.00 2.02 0.34 -0.27 117.35 116.38 3pcf s TYR 183 Ca 0.20 0.11 -0.12 0.00 -0.37 0.00 0.00 57.07 56.89 3pcf s TYR 183 Cb -0.01 -0.32 -0.05 0.00 -0.40 0.00 0.00 41.96 41.19 3pcf s TYR 183 CO 0.05 -0.11 0.23 0.50 -1.57 0.00 0.00 175.55 174.64 3pcf s ARG 184 N 1.22 4.17 -0.29 -0.62 3.52 -0.37 -1.48 118.95 125.10 3pcf s ARG 184 Ca -0.07 -0.08 -0.01 0.00 -0.13 0.00 0.00 55.73 55.43 3pcf s ARG 184 Cb -0.13 -3.48 0.09 0.00 -1.56 0.00 0.00 34.95 29.87 3pcf s ARG 184 CO -0.03 0.14 0.09 0.12 -0.81 0.00 0.00 175.30 174.81 3pcf s PHE 185 N 0.79 1.44 -0.15 5.12 5.36 0.11 -1.74 117.98 128.91 3pcf s PHE 185 Ca 0.12 -1.49 -0.15 0.00 -0.96 0.00 0.00 56.93 54.46 3pcf s PHE 185 Cb -0.13 -1.50 -0.05 0.00 -0.34 0.00 0.00 43.02 41.01 3pcf s PHE 185 CO 0.03 -0.83 0.33 -0.51 -1.46 0.00 0.00 175.22 172.79 3pcf s ASP 186 N 1.71 6.49 -0.20 6.13 1.01 -1.26 -4.00 116.67 126.56 3pcf s ASP 186 Ca 0.08 0.58 -0.05 0.00 0.71 0.00 0.00 52.55 53.86 3pcf s ASP 186 Cb -0.17 -2.20 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 3pcf s ASP 186 CO -0.24 0.09 0.01 -0.63 0.21 0.00 0.00 175.17 174.61 3pcf s ILE 187 N 0.43 4.04 -0.31 0.77 1.01 -0.36 -4.99 121.20 121.79 3pcf s ILE 187 Ca 0.19 -0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 3pcf s ILE 187 Cb -0.13 -2.83 0.03 0.00 0.01 0.00 0.00 42.46 39.54 3pcf s ILE 187 CO 0.05 0.43 0.06 -0.13 0.00 0.00 0.00 174.94 175.35 3pcf s ARG 188 N 0.92 2.76 0.32 2.79 0.52 -1.26 -0.67 118.95 124.32 3pcf s ARG 188 Ca 0.01 -1.07 0.06 0.00 -0.52 0.00 0.00 55.73 54.21 3pcf s ARG 188 Cb -0.14 -3.32 0.54 0.00 0.52 0.00 0.00 34.95 32.54 3pcf s ARG 188 CO 0.02 -0.56 1.78 0.82 0.02 0.00 0.00 175.30 177.38 3pcf h ILE 189 N 6.13 1.25 -3.23 1.52 2.04 -1.20 -0.60 117.51 123.42 3pcf h ILE 189 Ca -0.27 -1.16 -0.06 0.00 1.00 0.00 0.00 64.86 64.37 3pcf h ILE 189 Cb 1.09 1.36 -0.15 0.00 -0.74 0.00 0.00 36.82 38.39 3pcf h ILE 189 CO 0.59 0.36 -0.09 -1.58 0.00 0.00 0.00 178.15 177.43 3pcf s GLN 190 N -4.51 1.00 2.47 2.37 0.74 -1.26 -4.76 119.66 115.71 3pcf s GLN 190 Ca -0.06 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 54.80 3pcf s GLN 190 Cb 0.14 0.44 0.00 0.00 1.10 0.00 0.00 33.01 34.70 3pcf s GLN 190 CO 0.77 -0.37 0.00 0.41 -0.55 0.00 0.00 175.29 175.55 3pcf n GLY 191 N 0.10 -0.21 3.65 2.59 0.00 -1.26 -4.22 105.19 105.83 3pcf n GLY 191 Ca -0.17 -1.24 -0.49 0.00 0.00 0.00 0.00 46.02 44.11 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 1.36 1.72 -1.95 1.61 2.13 -1.26 -0.74 120.64 123.51 3pcf n GLU 192 Ca 0.00 0.62 -0.16 0.00 0.66 0.00 0.00 57.16 58.28 3pcf n GLU 192 Cb 0.00 -2.35 -0.03 0.00 0.27 0.00 0.00 31.44 29.33 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 3.30 0.51 3.64 8.31 0.00 -1.26 -4.92 105.19 114.77 3pcf n GLY 193 Ca 0.19 -0.24 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.53 1.72 -2.49 1.61 2.13 0.08 -4.61 120.64 116.55 3pcf n GLU 194 Ca -0.18 0.61 -0.38 0.00 0.66 0.00 0.00 57.16 57.87 3pcf n GLU 194 Cb 0.59 -2.17 -0.04 0.00 0.27 0.00 0.00 31.44 30.09 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 -0.36 3.57 0.23 6.31 2.01 -0.23 -4.93 115.64 122.23 3pcf s THR 195 Ca 0.66 1.36 -0.30 0.00 0.31 0.00 0.00 61.69 63.73 3pcf s THR 195 Cb -0.70 -3.78 -0.10 0.00 0.01 0.00 0.00 72.50 67.93 3pcf s THR 195 CO 0.53 0.16 1.40 -0.69 -0.69 0.00 0.00 174.62 175.34 3pcf s VAL 196 N -1.43 2.83 -0.00 3.82 1.01 -1.26 -4.97 120.40 120.39 3pcf s VAL 196 Ca 0.52 0.69 0.07 0.00 0.00 0.00 0.00 61.98 63.25 3pcf s VAL 196 Cb -0.27 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3pcf s VAL 196 CO 0.34 0.10 -0.21 -0.36 0.00 0.00 0.00 175.10 174.98 3pcf s PHE 197 N 0.08 1.84 0.21 5.22 0.08 -1.26 -4.63 117.98 119.52 3pcf s PHE 197 Ca 0.59 -0.35 0.07 0.00 0.12 0.00 0.00 56.93 57.36 3pcf s PHE 197 Cb -0.40 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 3pcf s PHE 197 CO 0.41 -0.01 0.05 -0.06 -0.10 0.00 0.00 175.22 175.51 3pcf s PHE 198 N -0.54 2.89 -0.06 0.36 0.08 0.21 -5.01 117.98 115.91 3pcf s PHE 198 Ca 0.08 -0.14 0.03 0.00 0.12 0.00 0.00 56.93 57.02 3pcf s PHE 198 Cb -0.08 -1.36 0.01 0.00 -0.57 0.00 0.00 43.02 41.02 3pcf s PHE 198 CO -0.00 0.54 -0.14 0.34 -0.10 0.00 0.00 175.22 175.86 3pcf s ASP 199 N -3.27 1.92 0.00 1.36 2.15 -1.26 -4.31 116.67 113.25 3pcf s ASP 199 Ca 0.30 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 52.95 3pcf s ASP 199 Cb -0.08 -0.77 0.00 0.00 -0.30 0.00 0.00 42.92 41.76 3pcf s ASP 199 CO 0.21 0.07 0.00 2.22 -0.17 0.00 0.00 175.17 177.50