#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cgg n PRO 12 N 0.00 0.10 -0.25 -0.53 -0.04 -1.26 -4.91 135.00 128.11 3cgg n PRO 12 Ca 0.00 0.07 0.06 0.00 -0.04 0.00 0.00 63.50 63.59 3cgg n PRO 12 Cb 0.00 -1.61 0.19 0.00 -0.04 0.00 0.00 33.50 32.04 3cgg n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cgg h ALA 13 N 2.82 1.02 -0.25 0.55 0.00 -2.05 -0.99 119.26 120.35 3cgg h ALA 13 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3cgg h ALA 13 Cb 0.59 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3cgg h ALA 13 CO 0.00 -0.29 -0.22 0.45 0.00 0.00 0.00 179.25 179.19 3cgg h HIS 14 N 0.34 0.50 -0.37 0.00 3.86 -1.99 0.18 115.15 117.67 3cgg h HIS 14 Ca 0.42 -0.10 -0.12 0.00 -1.16 0.00 0.00 60.37 59.41 3cgg h HIS 14 Cb 0.69 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 3cgg h HIS 14 CO -0.22 0.64 -0.27 0.77 0.86 0.00 0.00 177.93 179.72 3cgg h SER 15 N 0.41 0.79 -0.36 2.45 0.02 -1.79 -2.16 113.55 112.92 3cgg h SER 15 Ca 0.07 -0.31 -0.02 0.00 -0.84 0.00 0.00 61.79 60.69 3cgg h SER 15 Cb 0.61 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3cgg h SER 15 CO 0.04 1.02 0.15 -0.33 -1.14 0.00 0.00 176.83 176.58 3cgg h GLU 16 N 0.66 0.53 -0.89 3.45 4.39 -0.75 -1.53 114.58 120.45 3cgg h GLU 16 Ca 0.08 -0.09 0.12 0.00 0.34 0.00 0.00 59.36 59.81 3cgg h GLU 16 Cb 0.79 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.27 3cgg h GLU 16 CO 0.07 0.51 0.51 -0.91 -1.16 0.00 0.00 179.01 178.03 3cgg h ASN 17 N 0.44 0.71 0.11 1.42 2.35 -0.74 -0.01 115.58 119.86 3cgg h ASN 17 Ca 0.12 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3cgg h ASN 17 Cb 0.17 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3cgg h ASN 17 CO -0.01 0.37 -0.05 0.22 -1.65 0.00 0.00 177.43 176.30 3cgg h TYR 18 N 0.80 -0.14 -0.88 1.19 3.20 -1.27 -1.82 116.97 118.06 3cgg h TYR 18 Ca 0.45 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.39 3cgg h TYR 18 Cb 0.50 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.75 3cgg h TYR 18 CO -0.05 0.23 0.54 0.00 -1.64 0.00 0.00 178.16 177.24 3cgg h ALA 19 N 0.28 1.22 0.00 1.82 0.00 -0.89 -2.37 119.26 119.32 3cgg h ALA 19 Ca -0.02 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3cgg h ALA 19 Cb 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3cgg h ALA 19 CO 0.03 0.26 -0.42 1.96 0.00 0.00 0.00 179.25 181.07 3cgg h GLN 20 N 0.97 0.00 -0.41 0.00 1.08 -0.91 -1.96 115.11 113.88 3cgg h GLN 20 Ca 0.39 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.59 3cgg h GLN 20 Cb 0.22 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 3cgg h GLN 20 CO -0.19 0.42 0.24 0.00 -0.95 0.00 0.00 178.83 178.35 3cgg h ARG 21 N 0.00 0.57 -0.41 1.46 2.47 -0.81 -1.06 114.38 116.60 3cgg h ARG 21 Ca -0.00 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 3cgg h ARG 21 Cb 0.97 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.15 3cgg h ARG 21 CO 0.06 0.44 0.14 -1.49 0.56 0.00 0.00 179.97 179.67 3cgg h TRP 22 N 0.54 0.65 -0.90 3.04 4.06 -1.20 -1.74 115.95 120.40 3cgg h TRP 22 Ca 0.15 -0.06 0.10 0.00 2.06 0.00 0.00 58.89 61.13 3cgg h TRP 22 Cb 0.03 -0.19 -0.07 0.00 -1.00 0.00 0.00 29.16 27.93 3cgg h TRP 22 CO -0.03 0.60 0.58 0.00 -3.56 0.00 0.00 178.44 176.03 3cgg h ARG 23 N 0.52 0.87 -0.32 0.49 3.08 -1.32 -2.74 114.38 114.94 3cgg h ARG 23 Ca 0.13 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 3cgg h ARG 23 Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3cgg h ARG 23 CO -0.01 0.57 -0.43 -0.97 -1.07 0.00 0.00 179.97 178.07 3cgg h ASN 24 N 0.89 0.89 -0.85 7.04 -1.24 -0.71 0.21 115.58 121.81 3cgg h ASN 24 Ca 0.42 -0.42 0.01 0.00 0.71 0.00 0.00 56.30 57.02 3cgg h ASN 24 Cb 0.42 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 39.18 3cgg h ASN 24 CO -0.18 1.19 0.56 -0.07 -1.29 0.00 0.00 177.43 177.64 3cgg h LEU 25 N 0.66 0.97 -0.38 0.34 3.38 -1.09 0.15 115.31 119.35 3cgg h LEU 25 Ca 0.04 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3cgg h LEU 25 Cb 1.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3cgg h LEU 25 CO 0.10 0.69 -0.12 0.00 0.09 0.00 0.00 178.44 179.21 3cgg h ALA 26 N 1.32 0.52 -0.63 1.53 0.00 -1.36 0.37 119.26 121.01 3cgg h ALA 26 Ca 0.32 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3cgg h ALA 26 Cb -0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3cgg h ALA 26 CO -0.08 0.40 0.39 0.00 0.00 0.00 0.00 179.25 179.97 3cgg h ALA 27 N 0.82 0.82 0.00 0.00 0.00 -0.68 -2.54 119.26 117.68 3cgg h ALA 27 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3cgg h ALA 27 Cb 0.64 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3cgg h ALA 27 CO 0.04 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.43 3cgg n ALA 28 N -2.30 2.11 -0.09 0.00 0.00 0.50 -4.83 120.51 115.90 3cgg n ALA 28 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3cgg n ALA 28 Cb 0.08 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3cgg n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cgg n GLY 29 N 0.29 0.93 3.82 0.00 0.00 -0.96 -5.08 105.19 104.19 3cgg n GLY 29 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3cgg n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cgg s ASN 30 N -2.07 6.47 -0.32 1.61 0.01 0.11 -5.00 114.94 115.74 3cgg s ASN 30 Ca 0.00 1.75 -0.22 0.00 -0.71 0.00 0.00 52.86 53.68 3cgg s ASN 30 Cb 0.00 -2.54 -0.00 0.00 0.41 0.00 0.00 41.25 39.12 3cgg s ASN 30 CO 0.00 -0.69 0.73 -0.62 -1.51 0.00 0.00 177.10 175.01 3cgg s ASP 31 N -2.48 6.58 -0.12 -1.22 2.15 -1.26 -4.42 116.67 115.90 3cgg s ASP 31 Ca 0.63 0.51 0.15 0.00 0.43 0.00 0.00 52.55 54.26 3cgg s ASP 31 Cb -0.13 -2.38 0.47 0.00 -0.30 0.00 0.00 42.92 40.59 3cgg s ASP 31 CO 0.24 -0.60 1.38 2.30 -0.17 0.00 0.00 175.17 178.33 3cgg n ILE 32 N 5.55 1.88 -0.37 4.11 -5.35 -1.26 -4.57 119.36 119.34 3cgg n ILE 32 Ca 0.02 -1.57 0.02 0.00 -0.27 0.00 0.00 62.75 60.95 3cgg n ILE 32 Cb 0.48 -0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.40 3cgg n ILE 32 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3cgg n TYR 33 N -0.10 0.00 -0.16 4.28 4.01 -1.26 -4.77 117.16 119.16 3cgg n TYR 33 Ca 0.19 -0.51 -0.02 0.00 -0.16 0.00 0.00 57.90 57.40 3cgg n TYR 33 Cb 0.75 -0.06 0.06 0.00 -0.31 0.00 0.00 39.34 39.78 3cgg n TYR 33 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3cgg h GLY 34 N 0.00 0.53 1.24 2.72 0.00 -2.00 -1.71 103.07 103.86 3cgg h GLY 34 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 3cgg h GLY 34 CO 0.00 -0.13 -0.05 0.83 0.00 0.00 0.00 176.54 177.19 3cgg h GLU 35 N 0.14 0.91 -0.24 4.80 3.07 -1.91 -2.79 114.58 118.56 3cgg h GLU 35 Ca 0.25 -0.29 -0.09 0.00 -0.50 0.00 0.00 59.36 58.74 3cgg h GLU 35 Cb 0.38 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 3cgg h GLU 35 CO -0.40 0.93 -0.22 0.00 -1.40 0.00 0.00 179.01 177.92 3cgg h ALA 36 N 1.11 1.18 -0.38 3.43 0.00 -1.72 -2.67 119.26 120.21 3cgg h ALA 36 Ca 0.15 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3cgg h ALA 36 Cb 0.56 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3cgg h ALA 36 CO 0.03 0.52 -0.10 0.00 0.00 0.00 0.00 179.25 179.71 3cgg h ARG 37 N 0.40 0.65 0.10 0.00 3.08 -1.06 -0.16 114.38 117.39 3cgg h ARG 37 Ca 0.06 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3cgg h ARG 37 Cb 0.60 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3cgg h ARG 37 CO 0.04 0.74 -0.05 1.25 -1.07 0.00 0.00 179.97 180.89 3cgg h LEU 38 N 0.60 -0.11 -0.85 3.04 5.85 -1.38 -1.76 115.31 120.70 3cgg h LEU 38 Ca 0.11 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.75 3cgg h LEU 38 Cb 0.52 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 3cgg h LEU 38 CO 0.03 0.12 0.50 0.40 -0.34 0.00 0.00 178.44 179.15 3cgg h ILE 39 N -0.34 0.90 -0.65 4.05 1.08 -1.34 -2.00 117.51 119.21 3cgg h ILE 39 Ca -0.01 -0.28 -0.03 0.00 -0.39 0.00 0.00 64.86 64.14 3cgg h ILE 39 Cb 0.28 0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.02 3cgg h ILE 39 CO 0.02 0.15 0.27 -0.78 -0.69 0.00 0.00 178.15 177.12 3cgg h ASP 40 N 0.82 0.88 0.00 1.72 3.58 -0.95 -2.30 116.42 120.16 3cgg h ASP 40 Ca 0.42 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.71 3cgg h ASP 40 Cb 0.40 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.22 3cgg h ASP 40 CO -0.26 0.80 0.00 0.00 -2.88 0.00 0.00 179.24 176.90 3cgg n ALA 41 N -2.37 1.47 -1.17 -0.78 0.00 -0.67 -4.79 120.51 112.19 3cgg n ALA 41 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3cgg n ALA 41 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3cgg n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cgg n ALA 43 N 0.82 -1.25 -1.31 0.00 0.00 -0.87 -5.10 120.51 112.79 3cgg n ALA 43 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.27 3cgg n ALA 43 Cb 0.04 -0.75 0.14 0.00 0.00 0.00 0.00 19.45 18.87 3cgg n ALA 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3cgg s PRO 44 N -3.81 1.20 0.37 0.00 0.04 -1.26 -5.01 135.00 126.53 3cgg s PRO 44 Ca 0.00 0.63 -0.26 0.00 0.04 0.00 0.00 61.00 61.41 3cgg s PRO 44 Cb 0.00 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 3cgg s PRO 44 CO 0.00 -2.23 1.11 1.03 0.04 0.00 0.00 177.00 176.95 3cgg s ARG 45 N -5.04 4.22 -1.44 4.56 1.81 -1.26 -3.26 118.95 118.54 3cgg s ARG 45 Ca 0.63 1.72 -0.08 0.00 -1.72 0.00 0.00 55.73 56.29 3cgg s ARG 45 Cb -0.17 -2.74 0.01 0.00 -0.45 0.00 0.00 34.95 31.60 3cgg s ARG 45 CO 0.56 -0.14 0.97 0.41 -0.68 0.00 0.00 175.30 176.42 3cgg n GLY 46 N 0.66 -0.54 3.80 -3.53 0.00 -1.25 -4.97 105.19 99.35 3cgg n GLY 46 Ca 0.03 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 3cgg n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cgg s ALA 47 N -3.27 2.65 -0.27 4.61 0.00 -1.20 -4.55 121.76 119.72 3cgg s ALA 47 Ca 0.49 0.34 -0.15 0.00 0.00 0.00 0.00 51.96 52.65 3cgg s ALA 47 Cb -0.22 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 3cgg s ALA 47 CO 0.61 -1.05 0.37 0.21 0.00 0.00 0.00 175.76 175.90 3cgg s LYS 48 N -4.35 4.00 -0.05 0.00 2.20 -1.26 -0.40 119.74 119.88 3cgg s LYS 48 Ca 0.63 0.02 0.03 0.00 -0.36 0.00 0.00 55.97 56.29 3cgg s LYS 48 Cb -0.16 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 3cgg s LYS 48 CO 0.43 -0.28 -0.13 0.42 -0.36 0.00 0.00 175.35 175.43 3cgg s ILE 49 N 2.06 1.15 -0.24 5.43 1.01 -0.09 -0.17 121.20 130.36 3cgg s ILE 49 Ca 0.15 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 3cgg s ILE 49 Cb -0.16 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 3cgg s ILE 49 CO 0.10 0.35 0.13 -0.22 0.00 0.00 0.00 174.94 175.30 3cgg s LEU 50 N 0.31 3.90 -0.57 2.97 2.96 -0.78 -1.18 118.68 126.30 3cgg s LEU 50 Ca -0.08 0.01 -0.18 0.00 -0.22 0.00 0.00 54.13 53.67 3cgg s LEU 50 Cb -0.12 -2.05 0.11 0.00 0.50 0.00 0.00 46.19 44.63 3cgg s LEU 50 CO 0.02 0.04 0.63 -0.62 -1.32 0.00 0.00 176.35 175.10 3cgg s ASP 51 N 1.22 6.19 -0.24 3.68 -1.08 0.60 -1.14 116.67 125.90 3cgg s ASP 51 Ca 0.06 -1.54 -0.20 0.00 -0.52 0.00 0.00 52.55 50.35 3cgg s ASP 51 Cb -0.14 -2.27 -0.02 0.00 -1.46 0.00 0.00 42.92 39.03 3cgg s ASP 51 CO 0.05 -1.02 0.60 0.00 0.52 0.00 0.00 175.17 175.33 3cgg s ALA 52 N 2.31 3.59 -0.61 3.66 0.00 -0.24 -1.32 121.76 129.15 3cgg s ALA 52 Ca 0.09 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 3cgg s ALA 52 Cb -0.26 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 3cgg s ALA 52 CO 0.05 -0.74 0.51 0.41 0.00 0.00 0.00 175.76 176.00 3cgg n GLY 53 N 4.12 -0.06 0.05 0.00 0.00 0.52 -4.42 105.19 105.40 3cgg n GLY 53 Ca -0.01 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3cgg n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cgg n GLY 55 N 1.16 2.97 0.04 0.00 0.00 -1.26 -0.77 105.19 107.33 3cgg n GLY 55 Ca 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3cgg n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cgg n GLN 56 N 14.00 1.05 -0.42 1.61 10.64 -1.26 -4.17 117.38 138.83 3cgg n GLN 56 Ca 0.00 -0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 3cgg n GLN 56 Cb 0.00 -1.06 0.00 0.00 -0.86 0.00 0.00 30.24 28.32 3cgg n GLN 56 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3cgg n GLY 57 N 0.58 0.75 0.27 2.61 0.00 0.05 -3.70 105.19 105.76 3cgg n GLY 57 Ca 0.03 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.76 3cgg n GLY 57 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3cgg h ARG 58 N 0.90 0.57 0.08 1.61 0.11 -1.91 0.42 114.38 116.17 3cgg h ARG 58 Ca 0.00 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 60.04 3cgg h ARG 58 Cb 0.00 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 30.95 3cgg h ARG 58 CO 0.00 0.38 -0.04 0.82 0.10 0.00 0.00 179.97 181.23 3cgg h ILE 59 N 0.59 1.05 -0.46 0.08 1.08 -1.88 -1.85 117.51 116.12 3cgg h ILE 59 Ca 0.36 -1.44 -0.03 0.00 -0.39 0.00 0.00 64.86 63.36 3cgg h ILE 59 Cb 0.41 1.85 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 3cgg h ILE 59 CO -0.29 0.30 0.14 1.23 -0.69 0.00 0.00 178.15 178.85 3cgg h GLY 60 N -0.88 0.72 0.77 5.37 0.00 -1.90 -1.66 103.07 105.48 3cgg h GLY 60 Ca -0.01 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 46.96 3cgg h GLY 60 CO 0.02 0.35 -0.10 -1.33 0.00 0.00 0.00 176.54 175.48 3cgg h GLY 61 N 0.84 -0.14 0.89 4.60 0.00 -0.21 0.91 103.07 109.96 3cgg h GLY 61 Ca 0.15 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.62 3cgg h GLY 61 CO -0.01 -0.11 0.28 -1.82 0.00 0.00 0.00 176.54 174.89 3cgg h TYR 62 N -0.19 0.53 -0.64 5.60 5.03 -1.06 -2.57 116.97 123.67 3cgg h TYR 62 Ca 0.03 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 3cgg h TYR 62 Cb 0.22 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.30 3cgg h TYR 62 CO -0.15 0.31 0.34 -0.07 -1.32 0.00 0.00 178.16 177.26 3cgg h LEU 63 N 0.57 0.80 -1.26 2.82 3.38 -0.92 -2.40 115.31 118.30 3cgg h LEU 63 Ca 0.19 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3cgg h LEU 63 Cb 0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3cgg h LEU 63 CO -0.09 0.65 0.32 -1.28 0.09 0.00 0.00 178.44 178.14 3cgg h SER 64 N 0.90 0.74 0.81 -0.43 0.87 -0.44 -1.18 113.55 114.81 3cgg h SER 64 Ca 0.23 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3cgg h SER 64 Cb 0.05 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3cgg h SER 64 CO -0.03 0.60 0.00 0.29 -0.53 0.00 0.00 176.83 177.16 3cgg n LYS 65 N -4.38 0.16 -0.05 2.24 4.76 -0.91 -2.14 118.16 117.84 3cgg n LYS 65 Ca 0.06 0.34 0.12 0.00 -2.87 0.00 0.00 58.31 55.95 3cgg n LYS 65 Cb 0.10 -1.78 0.44 0.00 -1.84 0.00 0.00 35.03 31.96 3cgg n LYS 65 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3cgg n GLN 66 N -2.07 1.67 -0.12 1.97 1.13 -0.46 -4.93 117.38 114.56 3cgg n GLN 66 Ca 0.03 -0.99 0.00 0.00 -1.94 0.00 0.00 57.00 54.10 3cgg n GLN 66 Cb 0.25 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.18 3cgg n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3cgg n GLY 67 N 1.13 0.82 3.88 1.08 0.00 -0.91 -4.78 105.19 106.41 3cgg n GLY 67 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3cgg n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cgg s HIS 68 N -2.08 3.51 -0.56 1.61 3.76 -1.11 -3.86 115.29 116.56 3cgg s HIS 68 Ca 0.00 1.10 -0.19 0.00 -0.15 0.00 0.00 55.06 55.82 3cgg s HIS 68 Cb 0.00 -2.51 0.09 0.00 1.11 0.00 0.00 32.58 31.27 3cgg s HIS 68 CO 0.00 -0.27 0.66 0.34 -0.85 0.00 0.00 174.74 174.62 3cgg s ASP 69 N -3.49 6.19 -0.15 1.40 2.15 0.47 -4.46 116.67 118.77 3cgg s ASP 69 Ca 0.52 -1.32 -0.05 0.00 0.43 0.00 0.00 52.55 52.14 3cgg s ASP 69 Cb -0.10 -2.29 -0.03 0.00 -0.30 0.00 0.00 42.92 40.19 3cgg s ASP 69 CO 0.37 -1.03 0.00 -0.69 -0.17 0.00 0.00 175.17 173.66 3cgg s VAL 70 N 2.58 4.27 -0.12 1.11 1.01 -1.26 -0.91 120.40 127.09 3cgg s VAL 70 Ca 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 3cgg s VAL 70 Cb -0.23 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 3cgg s VAL 70 CO 0.07 0.50 -0.11 -0.22 0.00 0.00 0.00 175.10 175.35 3cgg s LEU 71 N 0.14 2.86 -0.05 3.92 2.96 -0.32 -1.41 118.68 126.78 3cgg s LEU 71 Ca 0.01 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3cgg s LEU 71 Cb -0.13 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3cgg s LEU 71 CO 0.02 0.20 -0.18 -0.83 -1.32 0.00 0.00 176.35 174.24 3cgg s GLY 72 N 0.18 1.46 -0.04 7.98 0.00 0.10 -0.29 107.32 116.71 3cgg s GLY 72 Ca -0.06 -1.01 0.05 0.00 0.00 0.00 0.00 44.72 43.70 3cgg s GLY 72 CO 0.04 -0.74 -0.19 -1.08 0.00 0.00 0.00 173.10 171.13 3cgg s THR 73 N -0.56 1.55 0.02 0.90 -1.32 -0.43 -0.94 115.64 114.86 3cgg s THR 73 Ca 0.08 -0.80 -0.16 0.00 -1.21 0.00 0.00 61.69 59.60 3cgg s THR 73 Cb -0.11 -1.31 0.03 0.00 -1.51 0.00 0.00 72.50 69.59 3cgg s THR 73 CO 0.01 0.44 0.34 -0.62 -2.21 0.00 0.00 174.62 172.58 3cgg s ASP 74 N -0.14 -0.20 0.40 8.08 2.15 -0.93 -0.36 116.67 125.68 3cgg s ASP 74 Ca -0.00 -0.03 0.15 0.00 0.43 0.00 0.00 52.55 53.09 3cgg s ASP 74 Cb -0.11 0.36 0.84 0.00 -0.30 0.00 0.00 42.92 43.72 3cgg s ASP 74 CO 0.01 -0.57 1.87 0.25 -0.17 0.00 0.00 175.17 176.56 3cgg h LEU 75 N 3.37 0.00 -8.79 -1.34 5.85 -1.77 0.05 115.31 112.69 3cgg h LEU 75 Ca -0.31 0.00 -0.63 0.00 0.84 0.00 0.00 57.88 57.78 3cgg h LEU 75 Cb 1.19 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.08 3cgg h LEU 75 CO 0.43 0.32 0.08 -0.62 -0.34 0.00 0.00 178.44 178.31 3cgg s ASP 76 N -6.81 6.40 0.40 1.25 -1.08 -1.26 -4.70 116.67 110.87 3cgg s ASP 76 Ca -0.03 0.13 0.20 0.00 -0.52 0.00 0.00 52.55 52.34 3cgg s ASP 76 Cb 0.14 -2.31 0.76 0.00 -1.46 0.00 0.00 42.92 40.06 3cgg s ASP 76 CO 0.70 -0.54 1.77 1.55 0.52 0.00 0.00 175.17 179.17 3cgg h PRO 77 N 8.42 0.00 -0.17 4.34 0.13 -1.99 -2.39 132.00 140.34 3cgg h PRO 77 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 3cgg h PRO 77 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3cgg h PRO 77 CO 0.81 0.33 0.08 0.82 -0.23 0.00 0.00 178.00 179.81 3cgg h ILE 78 N 0.00 1.12 -0.51 -3.56 1.08 -1.99 -1.72 117.51 111.94 3cgg h ILE 78 Ca -0.00 -0.35 -0.09 0.00 -0.39 0.00 0.00 64.86 64.02 3cgg h ILE 78 Cb 0.83 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 3cgg h ILE 78 CO 0.04 0.12 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.49 3cgg h LEU 79 N 0.15 0.88 -0.89 1.44 3.38 -1.83 -2.49 115.31 115.94 3cgg h LEU 79 Ca 0.06 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 3cgg h LEU 79 Cb 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3cgg h LEU 79 CO -0.01 0.97 -0.11 0.40 0.09 0.00 0.00 178.44 179.79 3cgg h ILE 80 N 0.82 1.25 -0.52 1.22 1.08 -1.39 -1.43 117.51 118.53 3cgg h ILE 80 Ca 0.14 -1.12 -0.10 0.00 -0.39 0.00 0.00 64.86 63.40 3cgg h ILE 80 Cb 0.56 1.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.35 3cgg h ILE 80 CO 0.03 0.38 -0.05 0.44 -0.69 0.00 0.00 178.15 178.26 3cgg h ASP 81 N 0.64 0.91 -0.39 1.72 3.32 -1.06 -0.52 116.42 121.05 3cgg h ASP 81 Ca 0.11 -0.27 0.02 0.00 0.02 0.00 0.00 57.03 56.92 3cgg h ASP 81 Cb 0.56 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3cgg h ASP 81 CO 0.03 1.00 0.21 1.88 -1.72 0.00 0.00 179.24 180.65 3cgg h TYR 82 N 0.85 0.39 -0.77 4.55 0.05 -1.21 -1.86 116.97 118.96 3cgg h TYR 82 Ca 0.15 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 3cgg h TYR 82 Cb 0.57 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 38.16 3cgg h TYR 82 CO 0.04 0.21 0.39 0.00 -1.05 0.00 0.00 178.16 177.75 3cgg h ALA 83 N 1.19 1.00 -0.69 3.88 0.00 -0.96 0.22 119.26 123.89 3cgg h ALA 83 Ca 0.16 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3cgg h ALA 83 Cb 0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3cgg h ALA 83 CO -0.09 0.54 0.24 0.87 0.00 0.00 0.00 179.25 180.81 3cgg h LYS 84 N 1.08 1.04 -0.05 0.00 1.57 -0.96 0.48 116.57 119.73 3cgg h LYS 84 Ca 0.27 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 3cgg h LYS 84 Cb 0.09 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3cgg h LYS 84 CO -0.04 0.87 -0.31 0.37 -0.57 0.00 0.00 179.45 179.77 3cgg h GLN 85 N 1.01 0.29 0.00 3.15 4.15 -1.08 -3.22 115.11 119.41 3cgg h GLN 85 Ca 0.23 -0.25 -0.11 0.00 0.77 0.00 0.00 58.65 59.29 3cgg h GLN 85 Cb 0.25 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 3cgg h GLN 85 CO -0.01 0.91 -0.52 -0.44 -1.93 0.00 0.00 178.83 176.84 3cgg h ASP 86 N -0.24 0.00 -2.02 -0.69 3.32 -0.47 -3.39 116.42 112.93 3cgg h ASP 86 Ca -0.02 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.46 3cgg h ASP 86 Cb 0.98 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.13 3cgg h ASP 86 CO 0.06 0.52 -1.05 0.49 -1.72 0.00 0.00 179.24 177.54 3cgg n PHE 87 N -3.43 0.14 0.49 4.55 3.72 0.15 -4.97 117.46 118.11 3cgg n PHE 87 Ca 0.00 -3.64 0.10 0.00 -0.05 0.00 0.00 57.45 53.87 3cgg n PHE 87 Cb 0.65 -0.38 0.42 0.00 -0.94 0.00 0.00 39.48 39.23 3cgg n PHE 87 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3cgg n PRO 88 N 1.30 0.12 0.03 -1.08 -0.04 -1.22 -2.04 135.00 132.07 3cgg n PRO 88 Ca 0.22 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 64.13 3cgg n PRO 88 Cb 0.52 -1.71 0.52 0.00 -0.04 0.00 0.00 33.50 32.80 3cgg n PRO 88 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3cgg n GLU 89 N -1.92 0.08 -3.30 0.54 0.00 -1.26 -4.82 120.64 109.96 3cgg n GLU 89 Ca 0.03 0.11 -0.20 0.00 0.00 0.00 0.00 57.16 57.09 3cgg n GLU 89 Cb 0.23 -1.60 0.01 0.00 0.00 0.00 0.00 31.44 30.08 3cgg n GLU 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3cgg s ALA 90 N -3.04 4.46 0.01 -1.84 0.00 -0.87 -4.82 121.76 115.67 3cgg s ALA 90 Ca 0.12 -1.81 0.08 0.00 0.00 0.00 0.00 51.96 50.34 3cgg s ALA 90 Cb 0.16 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 3cgg s ALA 90 CO 0.51 -0.48 -0.23 1.03 0.00 0.00 0.00 175.76 176.59 3cgg s ARG 91 N -4.39 2.04 -0.05 0.00 0.52 -0.50 -5.03 118.95 111.55 3cgg s ARG 91 Ca 0.52 -0.98 -0.03 0.00 -0.52 0.00 0.00 55.73 54.73 3cgg s ARG 91 Cb -0.06 -2.10 0.02 0.00 0.52 0.00 0.00 34.95 33.33 3cgg s ARG 91 CO 0.32 0.55 0.11 -1.58 0.02 0.00 0.00 175.30 174.72 3cgg s TRP 92 N -0.78 -0.12 -0.03 -0.53 0.52 -1.26 -0.72 118.94 116.03 3cgg s TRP 92 Ca 0.12 0.34 -0.04 0.00 0.02 0.00 0.00 56.10 56.53 3cgg s TRP 92 Cb -0.10 -0.03 0.01 0.00 -1.15 0.00 0.00 33.47 32.19 3cgg s TRP 92 CO 0.02 -0.10 0.10 0.54 0.02 0.00 0.00 176.95 177.53 3cgg s VAL 93 N 0.54 0.03 -0.02 4.03 0.11 -0.11 -4.96 120.40 120.01 3cgg s VAL 93 Ca -0.04 -0.24 -0.28 0.00 -2.93 0.00 0.00 61.98 58.49 3cgg s VAL 93 Cb -0.06 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 3cgg s VAL 93 CO -0.02 -0.13 0.88 -0.69 -3.33 0.00 0.00 175.10 171.80 3cgg s VAL 94 N -0.41 4.93 -0.11 2.04 1.01 -1.26 -2.18 120.40 124.42 3cgg s VAL 94 Ca -0.05 1.84 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 3cgg s VAL 94 Cb -0.03 -4.22 0.12 0.00 0.00 0.00 0.00 36.38 32.25 3cgg s VAL 94 CO 0.00 0.19 0.97 -0.83 0.00 0.00 0.00 175.10 175.44 3cgg s GLY 95 N 0.92 -0.34 -0.37 4.51 0.00 0.01 -4.90 107.32 107.14 3cgg s GLY 95 Ca 0.47 1.63 -0.12 0.00 0.00 0.00 0.00 44.72 46.70 3cgg s GLY 95 CO 0.24 0.74 0.23 -0.35 0.00 0.00 0.00 173.10 173.97 3cgg s ASP 96 N -1.68 5.84 0.50 1.64 -1.08 -1.26 -2.24 116.67 118.38 3cgg s ASP 96 Ca 0.02 -0.86 0.20 0.00 -0.52 0.00 0.00 52.55 51.38 3cgg s ASP 96 Cb -0.01 -2.07 1.27 0.00 -1.46 0.00 0.00 42.92 40.65 3cgg s ASP 96 CO -0.03 -0.37 2.01 0.25 0.52 0.00 0.00 175.17 177.56 3cgg h LEU 97 N 8.48 0.11 0.00 -1.34 5.85 -1.97 0.49 115.31 126.94 3cgg h LEU 97 Ca -0.27 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.32 3cgg h LEU 97 Cb 1.12 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3cgg h LEU 97 CO 0.67 0.07 -0.67 0.28 -0.34 0.00 0.00 178.44 178.45 3cgg h SER 98 N 0.13 0.00 0.00 1.25 0.02 -1.88 -3.35 113.55 109.72 3cgg h SER 98 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3cgg h SER 98 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 3cgg h SER 98 CO -0.03 0.60 -0.92 0.55 -1.14 0.00 0.00 176.83 175.90 3cgg n VAL 99 N -3.22 0.00 -3.18 2.27 3.14 -0.71 -4.55 118.33 112.09 3cgg n VAL 99 Ca 0.01 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 3cgg n VAL 99 Cb 0.78 -0.62 -0.07 0.00 -1.06 0.00 0.00 33.84 32.87 3cgg n VAL 99 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 3cgg s ASP 100 N -3.54 6.39 0.31 6.55 1.01 0.17 -5.02 116.67 122.55 3cgg s ASP 100 Ca 0.00 0.15 -0.29 0.00 0.71 0.00 0.00 52.55 53.12 3cgg s ASP 100 Cb 0.00 -2.30 -0.12 0.00 1.01 0.00 0.00 42.92 41.51 3cgg s ASP 100 CO 0.00 -0.50 1.41 1.67 0.21 0.00 0.00 175.17 177.96 3cgg n GLN 101 N 5.85 2.31 -2.64 8.23 7.27 -1.26 -4.53 117.38 132.61 3cgg n GLN 101 Ca -0.03 0.81 -0.43 0.00 0.07 0.00 0.00 57.00 57.43 3cgg n GLN 101 Cb 0.49 -2.48 -0.02 0.00 2.41 0.00 0.00 30.24 30.64 3cgg n GLN 101 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3cgg s ILE 102 N -0.64 4.32 -0.06 1.69 1.01 -1.26 -4.90 121.20 121.36 3cgg s ILE 102 Ca 0.60 1.31 0.13 0.00 0.00 0.00 0.00 60.65 62.69 3cgg s ILE 102 Cb -0.56 -4.53 -0.12 0.00 0.01 0.00 0.00 42.46 37.26 3cgg s ILE 102 CO 0.57 -0.84 1.04 0.77 0.00 0.00 0.00 174.94 176.48 3cgg h SER 103 N 8.90 0.00 -3.92 3.58 4.64 -1.97 -3.45 113.55 121.33 3cgg h SER 103 Ca -0.22 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.62 3cgg h SER 103 Cb 1.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.16 3cgg h SER 103 CO 1.09 0.74 0.40 -0.70 -0.87 0.00 0.00 176.83 177.48 3cgg s GLU 104 N -2.82 4.35 0.01 4.77 2.12 -1.26 -5.06 118.70 120.81 3cgg s GLU 104 Ca -0.01 1.48 0.00 0.00 0.36 0.00 0.00 54.97 56.81 3cgg s GLU 104 Cb 0.09 -2.68 -0.00 0.00 0.26 0.00 0.00 34.13 31.79 3cgg s GLU 104 CO 0.80 0.03 0.01 -2.37 -0.54 0.00 0.00 175.26 173.19 3cgg n THR 105 N 0.25 0.00 -3.16 -1.70 5.66 -1.26 -4.65 114.28 109.42 3cgg n THR 105 Ca 0.03 -0.08 -0.21 0.00 -3.05 0.00 0.00 64.05 60.75 3cgg n THR 105 Cb 0.49 0.03 0.05 0.00 -1.55 0.00 0.00 70.33 69.36 3cgg n THR 105 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3cgg n ASP 106 N -2.45 -5.79 -4.73 1.09 8.00 -0.92 -4.91 116.55 106.84 3cgg n ASP 106 Ca 0.00 -0.35 -0.41 0.00 0.71 0.00 0.00 54.79 54.74 3cgg n ASP 106 Cb 0.02 -4.53 -0.04 0.00 -0.02 0.00 0.00 41.12 36.55 3cgg n ASP 106 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3cgg s PHE 107 N -3.19 3.59 0.12 1.24 0.08 -0.73 -4.56 117.98 114.53 3cgg s PHE 107 Ca 0.38 1.56 -0.15 0.00 0.12 0.00 0.00 56.93 58.84 3cgg s PHE 107 Cb -0.17 -3.27 -0.03 0.00 -0.57 0.00 0.00 43.02 38.98 3cgg s PHE 107 CO 0.47 -0.62 1.54 -0.44 -0.10 0.00 0.00 175.22 176.07 3cgg h ASP 108 N 5.78 0.71 -4.16 1.36 3.32 -0.90 -0.61 116.42 121.90 3cgg h ASP 108 Ca -0.43 -0.34 -0.27 0.00 0.02 0.00 0.00 57.03 56.01 3cgg h ASP 108 Cb 1.21 -0.19 -0.26 0.00 0.22 0.00 0.00 39.33 40.31 3cgg h ASP 108 CO 0.75 0.88 -0.73 -0.76 -1.72 0.00 0.00 179.24 177.66 3cgg s LEU 109 N -9.33 2.08 -0.08 1.55 1.43 -1.11 -1.29 118.68 111.93 3cgg s LEU 109 Ca -0.13 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3cgg s LEU 109 Cb 0.10 -0.12 0.00 0.00 0.03 0.00 0.00 46.19 46.20 3cgg s LEU 109 CO 0.80 -0.05 -0.20 -0.63 0.23 0.00 0.00 176.35 176.50 3cgg s ILE 110 N -0.51 1.72 -0.02 -0.59 1.01 -0.47 -1.86 121.20 120.48 3cgg s ILE 110 Ca -0.03 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 59.87 3cgg s ILE 110 Cb -0.04 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 3cgg s ILE 110 CO -0.00 0.48 -0.25 0.54 0.00 0.00 0.00 174.94 175.72 3cgg s VAL 111 N 0.42 1.95 -0.26 2.92 0.11 -0.29 -0.72 120.40 124.53 3cgg s VAL 111 Ca -0.16 -1.05 0.00 0.00 -2.93 0.00 0.00 61.98 57.84 3cgg s VAL 111 Cb -0.17 -1.63 0.07 0.00 -1.53 0.00 0.00 36.38 33.13 3cgg s VAL 111 CO 0.07 0.55 0.01 -0.55 -3.33 0.00 0.00 175.10 171.85 3cgg s SER 112 N -0.52 3.85 -0.08 3.54 0.15 -0.42 -1.08 113.70 119.15 3cgg s SER 112 Ca 0.08 -1.35 0.11 0.00 0.70 0.00 0.00 55.95 55.49 3cgg s SER 112 Cb -0.10 -1.06 0.17 0.00 -1.71 0.00 0.00 66.02 63.33 3cgg s SER 112 CO -0.00 -0.31 1.06 0.00 1.20 0.00 0.00 173.24 175.19 3cgg n ALA 113 N 4.73 2.10 -2.71 5.45 0.00 -1.26 -1.32 120.51 127.50 3cgg n ALA 113 Ca -0.07 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.42 3cgg n ALA 113 Cb 0.44 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3cgg n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cgg n GLY 114 N -0.95 4.22 0.98 0.00 0.00 -1.26 -5.03 105.19 103.14 3cgg n GLY 114 Ca 0.10 -1.68 0.10 0.00 0.00 0.00 0.00 46.02 44.53 3cgg n GLY 114 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cgg n ASN 115 N 0.00 3.15 -1.73 1.61 6.94 -1.26 -4.91 115.26 119.06 3cgg n ASN 115 Ca 0.00 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 52.64 3cgg n ASN 115 Cb 0.00 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 3cgg n ASN 115 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 3cgg n VAL 116 N 1.24 0.53 0.00 3.53 3.14 -1.26 -2.46 118.33 123.04 3cgg n VAL 116 Ca 0.16 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 3cgg n VAL 116 Cb 0.54 -1.07 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 3cgg n VAL 116 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3cgg n GLY 118 N 1.71 0.00 0.08 7.55 0.00 -1.26 -1.82 105.19 111.45 3cgg n GLY 118 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3cgg n GLY 118 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3cgg h PHE 119 N 0.00 0.18 -2.73 1.61 3.57 -1.77 -3.45 116.94 114.35 3cgg h PHE 119 Ca 0.00 -0.13 -0.59 0.00 3.53 0.00 0.00 57.97 60.77 3cgg h PHE 119 Cb 0.00 -0.01 0.11 0.00 2.79 0.00 0.00 35.95 38.85 3cgg h PHE 119 CO 0.00 1.13 0.21 1.28 -2.23 0.00 0.00 178.31 178.70 3cgg n LEU 120 N -3.36 2.27 -4.79 0.59 4.77 -0.76 -4.97 117.00 110.76 3cgg n LEU 120 Ca -0.07 1.17 -0.34 0.00 -0.03 0.00 0.00 56.01 56.73 3cgg n LEU 120 Cb 0.99 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3cgg n LEU 120 CO 0.49 -1.22 0.74 0.00 -1.33 0.00 0.00 177.39 176.06 3cgg s ALA 121 N -1.10 2.72 0.29 -1.18 0.00 -1.26 -4.90 121.76 116.34 3cgg s ALA 121 Ca 0.58 0.58 0.04 0.00 0.00 0.00 0.00 51.96 53.16 3cgg s ALA 121 Cb -0.65 -3.28 0.75 0.00 0.00 0.00 0.00 23.12 19.94 3cgg s ALA 121 CO 0.60 -0.74 1.68 1.49 0.00 0.00 0.00 175.76 178.80 3cgg h GLU 122 N 0.86 0.33 -0.00 0.00 4.81 -1.99 0.16 114.58 118.75 3cgg h GLU 122 Ca -0.48 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3cgg h GLU 122 Cb 1.23 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3cgg h GLU 122 CO 0.57 0.22 -0.16 -0.40 -0.73 0.00 0.00 179.01 178.52 3cgg n ASP 123 N -5.09 0.60 -0.24 1.04 5.75 -1.26 -3.27 116.55 114.07 3cgg n ASP 123 Ca 0.23 -0.61 0.13 0.00 -0.01 0.00 0.00 54.79 54.53 3cgg n ASP 123 Cb 0.69 -0.02 0.36 0.00 -1.03 0.00 0.00 41.12 41.12 3cgg n ASP 123 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cgg n GLY 124 N 1.31 -0.63 0.08 6.12 0.00 0.53 -4.58 105.19 108.02 3cgg n GLY 124 Ca 0.13 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 3cgg n GLY 124 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3cgg h ARG 125 N 1.17 -0.06 0.02 1.61 3.08 -1.49 -1.74 114.38 116.97 3cgg h ARG 125 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3cgg h ARG 125 Cb 0.51 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3cgg h ARG 125 CO 0.00 0.39 -0.01 1.49 -1.07 0.00 0.00 179.97 180.77 3cgg h GLU 126 N -0.54 -0.02 -0.77 0.04 4.81 -1.81 -2.21 114.58 114.08 3cgg h GLU 126 Ca -0.01 0.00 0.16 0.00 -0.13 0.00 0.00 59.36 59.39 3cgg h GLU 126 Cb 0.48 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.76 3cgg h GLU 126 CO 0.01 0.16 0.25 -1.35 -0.73 0.00 0.00 179.01 177.35 3cgg h PRO 127 N -0.20 0.33 -0.11 0.92 0.11 -1.81 0.26 132.00 131.50 3cgg h PRO 127 Ca -0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3cgg h PRO 127 Cb 0.20 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 3cgg h PRO 127 CO 0.00 0.22 0.04 0.00 -0.21 0.00 0.00 178.00 178.05 3cgg h ALA 128 N 1.61 0.14 -0.41 -0.75 0.00 -1.15 0.27 119.26 118.95 3cgg h ALA 128 Ca 0.44 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 3cgg h ALA 128 Cb 0.74 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3cgg h ALA 128 CO -0.48 -0.27 -0.20 -0.07 0.00 0.00 0.00 179.25 178.22 3cgg h LEU 129 N 0.01 0.83 -1.23 0.00 3.38 -1.09 -2.21 115.31 114.99 3cgg h LEU 129 Ca 0.04 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3cgg h LEU 129 Cb 0.17 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3cgg h LEU 129 CO -0.00 1.01 0.39 0.00 0.09 0.00 0.00 178.44 179.93 3cgg h ALA 130 N 1.05 1.42 0.00 1.53 0.00 -0.25 -1.26 119.26 121.76 3cgg h ALA 130 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3cgg h ALA 130 Cb 0.72 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3cgg h ALA 130 CO 0.06 0.49 -0.01 -0.97 0.00 0.00 0.00 179.25 178.82 3cgg h ASN 131 N 0.93 -0.03 -0.28 0.00 -0.73 -0.65 -1.62 115.58 113.21 3cgg h ASN 131 Ca 0.24 0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.43 3cgg h ASN 131 Cb -0.02 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.56 3cgg h ASN 131 CO -0.04 -0.02 0.15 0.40 -0.37 0.00 0.00 177.43 177.55 3cgg h ILE 132 N -0.02 1.01 -0.31 2.57 2.04 -1.23 -2.07 117.51 119.50 3cgg h ILE 132 Ca 0.00 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.82 3cgg h ILE 132 Cb 0.02 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 3cgg h ILE 132 CO -0.01 0.06 -0.05 -0.74 0.00 0.00 0.00 178.15 177.41 3cgg h HIS 133 N 0.31 -0.12 -0.60 1.37 2.76 -1.06 -2.13 115.15 115.68 3cgg h HIS 133 Ca 0.11 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 3cgg h HIS 133 Cb 0.02 0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.05 3cgg h HIS 133 CO -0.09 -0.11 0.26 -0.09 -1.30 0.00 0.00 177.93 176.60 3cgg h ARG 134 N 0.03 0.85 0.00 5.26 2.43 -1.13 -2.36 114.38 119.46 3cgg h ARG 134 Ca 0.15 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3cgg h ARG 134 Cb 0.22 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3cgg h ARG 134 CO -0.30 0.68 0.00 0.00 -1.51 0.00 0.00 179.97 178.83 3cgg h ALA 135 N 1.45 1.00 -2.71 2.80 0.00 -0.82 -3.43 119.26 117.54 3cgg h ALA 135 Ca 0.21 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.61 3cgg h ALA 135 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3cgg h ALA 135 CO -0.02 0.00 0.43 -1.17 0.00 0.00 0.00 179.25 178.49 3cgg s LEU 136 N -5.39 4.55 0.92 0.00 2.96 -0.85 -1.78 118.68 119.09 3cgg s LEU 136 Ca 0.03 2.07 -0.11 0.00 -0.22 0.00 0.00 54.13 55.90 3cgg s LEU 136 Cb 0.09 -3.61 0.14 0.00 0.50 0.00 0.00 46.19 43.32 3cgg s LEU 136 CO 0.49 -0.09 1.09 -0.83 -1.32 0.00 0.00 176.35 175.69 3cgg s GLY 137 N -0.55 1.62 0.26 7.98 0.00 -0.24 -4.37 107.32 112.01 3cgg s GLY 137 Ca 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 44.72 45.16 3cgg s GLY 137 CO 0.35 0.50 1.78 0.00 0.00 0.00 0.00 173.10 175.73 3cgg h ALA 138 N -1.68 1.23 -0.52 3.20 0.00 -1.96 -1.96 119.26 117.57 3cgg h ALA 138 Ca -0.50 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3cgg h ALA 138 Cb 1.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3cgg h ALA 138 CO 0.53 -0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.49 3cgg n ASP 139 N -4.83 4.72 -4.95 0.00 8.00 -1.26 -4.58 116.55 113.64 3cgg n ASP 139 Ca 0.16 -2.69 -0.23 0.00 0.71 0.00 0.00 54.79 52.74 3cgg n ASP 139 Cb 0.38 -0.57 0.02 0.00 -0.02 0.00 0.00 41.12 40.93 3cgg n ASP 139 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3cgg s GLY 140 N -1.11 1.64 0.07 0.44 0.00 -0.74 -5.02 107.32 102.60 3cgg s GLY 140 Ca 0.48 -1.04 0.08 0.00 0.00 0.00 0.00 44.72 44.24 3cgg s GLY 140 CO 0.18 -0.81 -0.21 0.50 0.00 0.00 0.00 173.10 172.76 3cgg s ARG 141 N -4.73 1.24 -0.12 2.90 0.52 -0.41 -4.00 118.95 114.35 3cgg s ARG 141 Ca 0.52 -1.04 -0.05 0.00 -0.52 0.00 0.00 55.73 54.64 3cgg s ARG 141 Cb -0.10 -1.43 -0.04 0.00 0.52 0.00 0.00 34.95 33.90 3cgg s ARG 141 CO 0.40 0.35 0.07 0.00 0.02 0.00 0.00 175.30 176.14 3cgg s ALA 142 N -0.98 3.56 -0.25 2.13 0.00 -0.50 -1.37 121.76 124.36 3cgg s ALA 142 Ca 0.07 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.31 3cgg s ALA 142 Cb -0.09 -1.78 0.07 0.00 0.00 0.00 0.00 23.12 21.31 3cgg s ALA 142 CO 0.03 0.51 -0.03 0.08 0.00 0.00 0.00 175.76 176.35 3cgg s VAL 143 N -0.67 1.47 -0.13 0.00 1.01 0.10 -0.55 120.40 121.63 3cgg s VAL 143 Ca 0.12 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 60.85 3cgg s VAL 143 Cb -0.12 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.47 3cgg s VAL 143 CO 0.02 -0.19 -0.21 -0.63 0.00 0.00 0.00 175.10 174.09 3cgg s ILE 144 N 1.40 1.98 -0.05 2.22 1.01 -0.12 -1.30 121.20 126.34 3cgg s ILE 144 Ca -0.03 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.71 3cgg s ILE 144 Cb -0.19 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.54 3cgg s ILE 144 CO -0.08 0.54 -0.11 -0.83 0.00 0.00 0.00 174.94 174.45 3cgg s GLY 145 N 0.81 0.72 0.19 6.18 0.00 -0.44 -0.72 107.32 114.07 3cgg s GLY 145 Ca -0.08 -0.38 -0.23 0.00 0.00 0.00 0.00 44.72 44.03 3cgg s GLY 145 CO -0.01 0.08 0.77 -0.11 0.00 0.00 0.00 173.10 173.83 3cgg s PHE 146 N 0.56 -0.27 0.24 1.90 -0.71 -0.18 -4.57 117.98 114.95 3cgg s PHE 146 Ca -0.11 -0.06 -0.02 0.00 -1.04 0.00 0.00 56.93 55.70 3cgg s PHE 146 Cb -0.14 0.64 -0.05 0.00 -1.21 0.00 0.00 43.02 42.26 3cgg s PHE 146 CO 0.03 -0.98 0.46 0.20 -1.34 0.00 0.00 175.22 173.60 3cgg s GLY 147 N -2.84 1.79 0.75 1.99 0.00 -1.26 -1.70 107.32 106.05 3cgg s GLY 147 Ca 0.08 -0.73 -0.12 0.00 0.00 0.00 0.00 44.72 43.96 3cgg s GLY 147 CO -0.01 -0.65 1.10 0.00 0.00 0.00 0.00 173.10 173.54 3cgg s ALA 148 N -1.98 2.28 -1.56 3.20 0.00 -0.22 -3.86 121.76 119.62 3cgg s ALA 148 Ca 0.41 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.75 3cgg s ALA 148 Cb -0.11 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3cgg s ALA 148 CO 0.30 -1.68 0.00 0.41 0.00 0.00 0.00 175.76 174.79 3cgg n GLY 149 N -0.90 1.28 0.57 0.00 0.00 -1.26 -4.87 105.19 100.00 3cgg n GLY 149 Ca 0.10 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.91 3cgg n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cgg n ARG 150 N -2.54 2.32 0.00 1.61 5.12 -1.25 -4.97 116.66 116.94 3cgg n ARG 150 Ca -0.16 -2.71 0.00 0.00 -1.93 0.00 0.00 57.85 53.05 3cgg n ARG 150 Cb 0.52 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 3cgg n ARG 150 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cgg n GLY 151 N -0.83 1.23 2.81 -0.13 0.00 -1.26 -4.49 105.19 102.51 3cgg n GLY 151 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 3cgg n GLY 151 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3cgg s TRP 152 N -1.54 1.01 0.23 1.61 -0.11 -1.26 -5.05 118.94 113.83 3cgg s TRP 152 Ca 0.00 -0.48 -0.30 0.00 1.22 0.00 0.00 56.10 56.54 3cgg s TRP 152 Cb 0.00 -0.99 -0.09 0.00 -1.50 0.00 0.00 33.47 30.89 3cgg s TRP 152 CO 0.00 -0.44 1.28 0.08 -4.62 0.00 0.00 176.95 173.25 3cgg s VAL 153 N 1.86 3.16 0.25 5.86 1.01 -1.26 -4.74 120.40 126.54 3cgg s VAL 153 Ca 0.04 1.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.99 3cgg s VAL 153 Cb -0.13 -3.64 0.24 0.00 0.00 0.00 0.00 36.38 32.84 3cgg s VAL 153 CO -0.07 0.18 1.85 -0.26 0.00 0.00 0.00 175.10 176.80 3cgg h PHE 154 N 4.82 1.03 -0.94 5.22 0.04 -2.00 -2.34 116.94 122.77 3cgg h PHE 154 Ca -0.46 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.35 3cgg h PHE 154 Cb 1.22 -0.33 -0.05 0.00 2.20 0.00 0.00 35.95 38.99 3cgg h PHE 154 CO 0.60 0.49 0.60 0.78 -0.60 0.00 0.00 178.31 180.18 3cgg h GLY 155 N 0.98 1.34 0.80 -1.45 0.00 -2.00 -1.55 103.07 101.20 3cgg h GLY 155 Ca 0.41 -0.53 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 3cgg h GLY 155 CO -0.20 0.51 -0.38 -1.80 0.00 0.00 0.00 176.54 174.68 3cgg h ASP 156 N 1.29 0.52 -0.55 0.19 3.58 -1.83 -2.64 116.42 116.98 3cgg h ASP 156 Ca 0.34 -0.61 0.11 0.00 0.42 0.00 0.00 57.03 57.29 3cgg h ASP 156 Cb -0.11 -0.15 -0.09 0.00 1.72 0.00 0.00 39.33 40.70 3cgg h ASP 156 CO -0.07 1.04 0.05 0.15 -2.88 0.00 0.00 179.24 177.54 3cgg h PHE 157 N 0.03 0.06 -0.72 0.28 3.57 -1.21 -0.29 116.94 118.66 3cgg h PHE 157 Ca -0.02 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 3cgg h PHE 157 Cb 1.00 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 3cgg h PHE 157 CO 0.11 -0.09 0.21 -0.07 -2.23 0.00 0.00 178.31 176.25 3cgg h LEU 158 N 0.17 1.06 -0.28 0.59 3.38 -1.30 -1.50 115.31 117.44 3cgg h LEU 158 Ca 0.28 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3cgg h LEU 158 Cb 0.43 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3cgg h LEU 158 CO -0.42 0.99 0.12 -0.08 0.09 0.00 0.00 178.44 179.14 3cgg h GLU 159 N 1.08 0.26 -0.66 1.13 4.81 -1.01 -2.19 114.58 118.00 3cgg h GLU 159 Ca 0.23 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 3cgg h GLU 159 Cb 0.32 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3cgg h GLU 159 CO -0.01 0.17 0.12 0.28 -0.73 0.00 0.00 179.01 178.85 3cgg h VAL 160 N 0.27 1.26 -0.17 0.32 2.07 -0.70 -1.69 116.25 117.61 3cgg h VAL 160 Ca 0.12 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.64 3cgg h VAL 160 Cb 0.05 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3cgg h VAL 160 CO -0.09 0.38 0.07 0.00 0.02 0.00 0.00 177.57 177.94 3cgg h ALA 161 N 1.11 0.19 -0.64 1.67 0.00 -1.24 -2.27 119.26 118.07 3cgg h ALA 161 Ca 0.20 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3cgg h ALA 161 Cb 0.42 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3cgg h ALA 161 CO 0.01 -0.37 0.41 1.49 0.00 0.00 0.00 179.25 180.80 3cgg h GLU 162 N 0.15 0.85 -0.87 0.00 4.22 -1.23 -0.34 114.58 117.36 3cgg h GLU 162 Ca 0.07 -0.06 0.04 0.00 0.08 0.00 0.00 59.36 59.50 3cgg h GLU 162 Cb 0.04 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 3cgg h GLU 162 CO -0.07 0.58 0.57 -0.09 -2.18 0.00 0.00 179.01 177.81 3cgg h ARG 163 N 0.87 1.01 -0.00 1.92 2.43 -1.00 -2.05 114.38 117.55 3cgg h ARG 163 Ca 0.23 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3cgg h ARG 163 Cb -0.08 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.24 3cgg h ARG 163 CO -0.05 0.67 -0.12 1.33 -1.51 0.00 0.00 179.97 180.29 3cgg n VAL 164 N -4.46 0.00 0.00 0.20 0.24 -0.88 -4.92 118.33 108.51 3cgg n VAL 164 Ca 0.12 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 3cgg n VAL 164 Cb 0.14 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 3cgg n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cgg n GLY 165 N 1.35 1.15 3.62 7.63 0.00 -0.77 -4.88 105.19 113.30 3cgg n GLY 165 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3cgg n GLY 165 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cgg s LEU 166 N 0.00 4.09 -0.43 0.99 1.43 -0.17 0.16 118.68 124.75 3cgg s LEU 166 Ca 0.00 0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 53.62 3cgg s LEU 166 Cb 0.00 -3.01 0.02 0.00 0.03 0.00 0.00 46.19 43.23 3cgg s LEU 166 CO 0.00 -0.52 0.57 -0.70 0.23 0.00 0.00 176.35 175.93 3cgg s GLU 167 N 2.78 3.21 0.05 1.70 2.56 0.27 -3.43 118.70 125.83 3cgg s GLU 167 Ca 0.30 -0.52 -0.30 0.00 0.00 0.00 0.00 54.97 54.45 3cgg s GLU 167 Cb -0.15 -3.96 -0.09 0.00 2.00 0.00 0.00 34.13 31.93 3cgg s GLU 167 CO 0.10 -0.96 1.96 -0.11 -0.56 0.00 0.00 175.26 175.69 3cgg n LEU 168 N 6.02 4.16 -0.12 2.70 7.94 -1.26 -0.78 117.00 135.66 3cgg n LEU 168 Ca -0.04 0.92 -0.17 0.00 -1.11 0.00 0.00 56.01 55.61 3cgg n LEU 168 Cb 0.48 -1.53 -0.11 0.00 0.53 0.00 0.00 43.42 42.78 3cgg n LEU 168 CO 0.51 0.20 -1.31 1.21 -1.11 0.00 0.00 177.39 176.89 3cgg n GLU 169 N 7.22 0.62 -3.51 1.96 2.13 0.87 -4.92 120.64 125.02 3cgg n GLU 169 Ca 0.20 0.14 -0.14 0.00 0.66 0.00 0.00 57.16 58.02 3cgg n GLU 169 Cb 0.40 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.57 3cgg n GLU 169 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 3cgg s ASN 170 N -6.39 -0.55 -0.01 4.31 0.02 -1.17 -5.02 114.94 106.13 3cgg s ASN 170 Ca -0.33 0.41 0.04 0.00 -1.02 0.00 0.00 52.86 51.96 3cgg s ASN 170 Cb 0.09 0.49 -0.01 0.00 0.02 0.00 0.00 41.25 41.84 3cgg s ASN 170 CO 0.57 -0.64 -0.13 0.00 0.02 0.00 0.00 177.10 176.93 3cgg s ALA 171 N -1.98 1.08 0.15 0.60 0.00 -1.26 -0.79 121.76 119.56 3cgg s ALA 171 Ca -0.05 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.42 3cgg s ALA 171 Cb -0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 3cgg s ALA 171 CO 0.01 0.25 -0.10 -0.06 0.00 0.00 0.00 175.76 175.86 3cgg s PHE 172 N -0.21 1.26 -2.56 0.00 0.08 -0.12 -3.70 117.98 112.72 3cgg s PHE 172 Ca 0.03 -0.77 0.25 0.00 0.12 0.00 0.00 56.93 56.56 3cgg s PHE 172 Cb -0.06 -0.65 0.69 0.00 -0.57 0.00 0.00 43.02 42.43 3cgg s PHE 172 CO -0.00 0.07 1.54 -0.85 -0.10 0.00 0.00 175.22 175.87 3cgg n GLU 173 N -0.20 1.95 -3.79 0.44 0.28 -0.03 -0.35 120.64 118.94 3cgg n GLU 173 Ca -0.10 -1.40 -0.04 0.00 -0.16 0.00 0.00 57.16 55.46 3cgg n GLU 173 Cb 0.61 -1.46 -0.01 0.00 1.43 0.00 0.00 31.44 32.01 3cgg n GLU 173 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3cgg s SER 174 N -1.83 -0.17 0.13 -1.84 1.04 -1.26 -4.49 113.70 105.29 3cgg s SER 174 Ca 0.34 -0.49 0.26 0.00 0.48 0.00 0.00 55.95 56.54 3cgg s SER 174 Cb 0.20 0.55 0.95 0.00 0.10 0.00 0.00 66.02 67.82 3cgg s SER 174 CO 0.31 -1.02 1.79 0.79 0.98 0.00 0.00 173.24 176.09 3cgg n TRP 175 N -0.49 0.53 0.22 5.02 7.02 -1.26 -1.91 117.44 126.57 3cgg n TRP 175 Ca -0.06 0.16 0.08 0.00 -1.02 0.00 0.00 57.50 56.67 3cgg n TRP 175 Cb 0.60 -0.77 0.24 0.00 -2.42 0.00 0.00 31.31 28.97 3cgg n TRP 175 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 3cgg n ASP 176 N -1.94 3.04 -0.27 -0.99 5.75 -1.26 -4.64 116.55 116.24 3cgg n ASP 176 Ca 0.05 -2.07 -0.03 0.00 -0.01 0.00 0.00 54.79 52.73 3cgg n ASP 176 Cb 0.35 -0.39 -0.00 0.00 -1.03 0.00 0.00 41.12 40.05 3cgg n ASP 176 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3cgg n LEU 177 N 1.01 -0.86 -4.77 -2.12 4.77 -0.80 -5.03 117.00 109.20 3cgg n LEU 177 Ca 0.18 0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.77 3cgg n LEU 177 Cb 0.50 -0.80 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 3cgg n LEU 177 CO 0.13 -0.06 0.94 -0.54 -1.33 0.00 0.00 177.39 176.53 3cgg s LYS 178 N -3.60 4.42 0.52 3.23 1.02 -1.26 -4.92 119.74 119.14 3cgg s LYS 178 Ca 0.00 2.12 -0.22 0.00 0.02 0.00 0.00 55.97 57.89 3cgg s LYS 178 Cb 0.00 -3.10 -0.06 0.00 -0.52 0.00 0.00 37.83 34.15 3cgg s LYS 178 CO 0.00 -0.10 1.30 -1.25 -0.92 0.00 0.00 175.35 174.37 3cgg s PRO 179 N -1.62 3.35 -0.45 -1.68 0.04 -1.26 -0.85 135.00 132.53 3cgg s PRO 179 Ca 0.48 2.10 -0.29 0.00 0.04 0.00 0.00 61.00 63.33 3cgg s PRO 179 Cb -0.38 -2.32 0.02 0.00 0.04 0.00 0.00 34.50 31.86 3cgg s PRO 179 CO 0.50 -0.98 1.26 0.12 0.04 0.00 0.00 177.00 177.94 3cgg s PHE 180 N -1.37 2.62 0.46 0.56 5.36 -1.24 -3.85 117.98 120.52 3cgg s PHE 180 Ca 0.69 0.69 0.03 0.00 -0.96 0.00 0.00 56.93 57.38 3cgg s PHE 180 Cb -0.37 -4.39 -0.04 0.00 -0.34 0.00 0.00 43.02 37.88 3cgg s PHE 180 CO 0.44 -1.60 0.01 0.14 -1.46 0.00 0.00 175.22 172.75 3cgg s VAL 181 N 4.91 1.45 0.27 3.12 -7.23 -1.26 -4.92 120.40 116.74 3cgg s VAL 181 Ca 0.54 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.41 3cgg s VAL 181 Cb -0.10 -2.50 -0.10 0.00 0.56 0.00 0.00 36.38 34.25 3cgg s VAL 181 CO 0.32 0.00 1.39 -1.10 -0.31 0.00 0.00 175.10 175.41 3cgg s GLN 182 N -3.81 4.29 -0.01 4.82 -0.21 -1.26 -1.84 119.66 121.65 3cgg s GLN 182 Ca 0.18 2.27 0.00 0.00 0.02 0.00 0.00 55.36 57.83 3cgg s GLN 182 Cb 0.05 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.96 3cgg s GLN 182 CO 0.09 -0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.33 3cgg n GLY 183 N 1.75 0.44 3.73 3.09 0.00 -1.26 -5.03 105.19 107.91 3cgg n GLY 183 Ca 0.05 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3cgg n GLY 183 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cgg s SER 184 N -2.02 6.70 -0.13 1.61 0.01 -0.77 -4.93 113.70 114.17 3cgg s SER 184 Ca 0.00 2.54 0.17 0.00 1.31 0.00 0.00 55.95 59.97 3cgg s SER 184 Cb 0.00 -2.60 0.68 0.00 0.21 0.00 0.00 66.02 64.31 3cgg s SER 184 CO 0.00 -0.71 1.59 -0.62 0.41 0.00 0.00 173.24 173.92 3cgg n GLU 185 N 3.26 3.72 -3.64 12.44 1.02 -1.26 -4.89 120.64 131.29 3cgg n GLU 185 Ca 0.10 -2.85 -0.15 0.00 -0.02 0.00 0.00 57.16 54.23 3cgg n GLU 185 Cb 0.40 -1.88 -0.08 0.00 -0.02 0.00 0.00 31.44 29.87 3cgg n GLU 185 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3cgg s PHE 186 N -2.00 -0.53 -0.07 -0.32 2.19 -1.26 -1.06 117.98 114.93 3cgg s PHE 186 Ca 0.48 1.08 0.02 0.00 0.33 0.00 0.00 56.93 58.84 3cgg s PHE 186 Cb 0.32 0.26 0.02 0.00 -1.31 0.00 0.00 43.02 42.31 3cgg s PHE 186 CO 0.21 -0.44 -0.10 -1.17 1.83 0.00 0.00 175.22 175.55 3cgg s LEU 187 N -0.64 1.55 -0.33 6.12 2.96 -0.69 -4.26 118.68 123.40 3cgg s LEU 187 Ca -0.07 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.53 3cgg s LEU 187 Cb -0.03 -0.76 0.06 0.00 0.50 0.00 0.00 46.19 45.96 3cgg s LEU 187 CO 0.05 0.01 0.07 -0.69 -1.32 0.00 0.00 176.35 174.47 3cgg s VAL 188 N 0.79 3.34 -0.13 1.68 1.01 0.52 -1.01 120.40 126.61 3cgg s VAL 188 Ca -0.12 -1.39 -0.04 0.00 0.00 0.00 0.00 61.98 60.42 3cgg s VAL 188 Cb -0.15 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 3cgg s VAL 188 CO 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 175.10 174.91 3cgg s ALA 189 N 1.29 3.28 -0.17 5.51 0.00 0.10 -0.95 121.76 130.82 3cgg s ALA 189 Ca -0.02 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 3cgg s ALA 189 Cb -0.20 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 3cgg s ALA 189 CO -0.00 0.40 -0.02 0.08 0.00 0.00 0.00 175.76 176.22 3cgg s VAL 190 N -0.29 3.99 0.03 0.00 1.01 0.03 -0.95 120.40 124.22 3cgg s VAL 190 Ca 0.07 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 61.81 3cgg s VAL 190 Cb -0.12 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 3cgg s VAL 190 CO 0.02 0.47 -0.24 -0.36 0.00 0.00 0.00 175.10 174.99 3cgg s PHE 191 N 0.59 2.09 0.48 5.22 0.08 0.29 -0.09 117.98 126.64 3cgg s PHE 191 Ca -0.01 -0.39 0.08 0.00 0.12 0.00 0.00 56.93 56.73 3cgg s PHE 191 Cb -0.14 -1.27 0.04 0.00 -0.57 0.00 0.00 43.02 41.07 3cgg s PHE 191 CO 0.02 0.07 0.62 0.95 -0.10 0.00 0.00 175.22 176.79 3cgg s THR 192 N -0.74 2.61 -0.26 0.64 -4.23 0.04 -1.41 115.64 112.29 3cgg s THR 192 Ca 0.10 -1.05 -0.16 0.00 -1.18 0.00 0.00 61.69 59.40 3cgg s THR 192 Cb -0.09 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 3cgg s THR 192 CO 0.01 0.00 0.40 -0.75 -0.54 0.00 0.00 174.62 173.74 3cgg s LYS 193 N -4.44 4.04 0.00 3.99 2.20 -1.26 -0.57 119.74 123.70 3cgg s LYS 193 Ca 0.56 0.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 3cgg s LYS 193 Cb -0.08 -3.65 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 3cgg s LYS 193 CO 0.34 -0.28 0.00 1.63 -0.36 0.00 0.00 175.35 176.68