#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fyg s MET 2 N 0.00 3.61 -0.13 0.54 -1.94 -0.98 -4.78 119.30 115.62 3fyg s MET 2 Ca 0.00 0.73 -0.01 0.00 -1.71 0.00 0.00 55.69 54.69 3fyg s MET 2 Cb 0.00 -2.10 -0.02 0.00 2.01 0.00 0.00 34.83 34.72 3fyg s MET 2 CO 0.00 -0.54 -0.08 0.42 -0.01 0.00 0.00 175.02 174.81 3fyg s ILE 3 N -3.14 3.56 -0.19 2.53 -1.09 0.24 -1.19 121.20 121.92 3fyg s ILE 3 Ca 0.55 -0.49 -0.01 0.00 -2.23 0.00 0.00 60.65 58.46 3fyg s ILE 3 Cb -0.11 -2.51 0.00 0.00 -1.58 0.00 0.00 42.46 38.26 3fyg s ILE 3 CO 0.53 0.53 -0.13 -0.22 -1.23 0.00 0.00 174.94 174.42 3fyg s LEU 4 N 0.09 2.53 -0.07 2.97 2.96 -0.92 0.04 118.68 126.27 3fyg s LEU 4 Ca -0.03 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3fyg s LEU 4 Cb -0.14 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 3fyg s LEU 4 CO 0.03 0.02 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.17 3fyg s GLY 5 N 1.21 1.65 0.75 7.98 0.00 -1.26 0.18 107.32 117.82 3fyg s GLY 5 Ca 0.02 -0.91 -0.09 0.00 0.00 0.00 0.00 44.72 43.75 3fyg s GLY 5 CO -0.06 -0.63 1.08 -0.98 0.00 0.00 0.00 173.10 172.52 3fyg s TRP 7 N -0.65 2.92 -0.43 1.90 0.52 -1.26 -4.06 118.94 117.88 3fyg s TRP 7 Ca 0.10 0.56 0.00 0.00 0.02 0.00 0.00 56.10 56.78 3fyg s TRP 7 Cb -0.11 -3.32 0.00 0.00 -1.15 0.00 0.00 33.47 28.89 3fyg s TRP 7 CO 0.02 -1.56 0.50 0.27 0.02 0.00 0.00 176.95 176.19 3fyg n ASN 8 N -3.08 1.37 -3.91 2.95 0.23 -1.26 -4.89 115.26 106.67 3fyg n ASN 8 Ca 0.08 -1.28 -0.24 0.00 -0.53 0.00 0.00 54.58 52.61 3fyg n ASN 8 Cb 0.61 -0.32 -0.05 0.00 -2.08 0.00 0.00 39.78 37.93 3fyg n ASN 8 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 3fyg n VAL 9 N 0.47 0.00 0.06 3.53 0.24 -1.26 -4.96 118.33 116.40 3fyg n VAL 9 Ca 0.00 -1.89 -0.02 0.00 -2.04 0.00 0.00 64.34 60.38 3fyg n VAL 9 Cb 0.25 0.46 -0.01 0.00 -1.47 0.00 0.00 33.84 33.07 3fyg n VAL 9 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 3fyg h ARG 10 N 0.00 -0.15 0.00 7.34 0.11 -1.23 -3.47 114.38 116.98 3fyg h ARG 10 Ca -0.31 0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.78 3fyg h ARG 10 Cb 1.00 0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.11 3fyg h ARG 10 CO 0.51 -0.10 0.00 0.41 0.10 0.00 0.00 179.97 180.89 3fyg n GLY 11 N 0.15 1.00 0.00 0.08 0.00 -0.94 -2.34 105.19 103.15 3fyg n GLY 11 Ca -0.02 -0.58 0.03 0.00 0.00 0.00 0.00 46.02 45.45 3fyg n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fyg n LEU 12 N 0.00 0.00 0.07 0.99 4.77 -1.26 -1.82 117.00 119.75 3fyg n LEU 12 Ca 0.00 0.36 0.11 0.00 -0.03 0.00 0.00 56.01 56.45 3fyg n LEU 12 Cb 0.00 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 3fyg n LEU 12 CO 0.00 -0.28 -0.08 0.41 -1.33 0.00 0.00 177.39 176.11 3fyg n THR 13 N -1.36 0.40 -0.28 -5.08 -1.04 -1.08 -4.25 114.28 101.60 3fyg n THR 13 Ca 0.03 -0.45 -0.01 0.00 -2.04 0.00 0.00 64.05 61.57 3fyg n THR 13 Cb 0.06 -0.15 0.05 0.00 -1.82 0.00 0.00 70.33 68.47 3fyg n THR 13 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 3fyg h HIS 14 N 0.00 -0.78 0.00 -1.42 6.17 -0.95 0.71 115.15 118.87 3fyg h HIS 14 Ca 0.00 0.08 -0.01 0.00 0.71 0.00 0.00 60.37 61.15 3fyg h HIS 14 Cb 0.92 0.46 -0.00 0.00 2.52 0.00 0.00 27.41 31.31 3fyg h HIS 14 CO 0.00 -0.38 -0.04 -1.00 0.71 0.00 0.00 177.93 177.23 3fyg h PRO 15 N -0.06 0.00 0.01 5.26 0.14 -1.82 -1.88 132.00 133.65 3fyg h PRO 15 Ca 0.33 0.00 -0.05 0.00 0.14 0.00 0.00 66.00 66.42 3fyg h PRO 15 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.73 3fyg h PRO 15 CO -0.83 0.04 -0.20 0.82 0.14 0.00 0.00 178.00 177.97 3fyg h ILE 16 N 0.00 1.61 -0.70 -3.56 2.04 -1.15 -1.07 117.51 114.67 3fyg h ILE 16 Ca -0.00 -2.05 -0.01 0.00 1.00 0.00 0.00 64.86 63.80 3fyg h ILE 16 Cb 0.65 2.94 -0.03 0.00 -0.74 0.00 0.00 36.82 39.63 3fyg h ILE 16 CO 0.00 0.55 0.41 0.03 0.00 0.00 0.00 178.15 179.14 3fyg h ARG 17 N -0.64 0.96 -0.79 2.37 3.08 -1.02 0.11 114.38 118.45 3fyg h ARG 17 Ca -0.03 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3fyg h ARG 17 Cb 1.01 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.83 3fyg h ARG 17 CO 0.04 0.70 0.43 -0.07 -1.07 0.00 0.00 179.97 179.99 3fyg h LEU 18 N 0.95 0.98 0.21 3.04 3.38 -1.41 -1.04 115.31 121.43 3fyg h LEU 18 Ca 0.25 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3fyg h LEU 18 Cb -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3fyg h LEU 18 CO -0.04 0.80 -0.10 0.25 0.09 0.00 0.00 178.44 179.43 3fyg h LEU 19 N 1.10 -0.24 -0.91 1.67 6.46 0.11 -3.17 115.31 120.33 3fyg h LEU 19 Ca 0.28 -0.22 0.15 0.00 -0.12 0.00 0.00 57.88 57.97 3fyg h LEU 19 Cb 0.04 0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 39.93 3fyg h LEU 19 CO -0.04 0.10 0.51 -0.07 -0.62 0.00 0.00 178.44 178.32 3fyg h LEU 20 N -0.62 0.66 -2.00 2.25 3.38 -0.75 -1.58 115.31 116.67 3fyg h LEU 20 Ca -0.03 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3fyg h LEU 20 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3fyg h LEU 20 CO 0.05 0.29 0.00 -0.62 0.09 0.00 0.00 178.44 178.25 3fyg n GLU 21 N -4.80 0.54 0.00 1.13 -0.58 -0.41 0.18 120.64 116.71 3fyg n GLU 21 Ca 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 3fyg n GLU 21 Cb 0.44 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 3fyg n GLU 21 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3fyg n THR 23 N 0.73 0.00 -3.76 2.62 -2.24 -0.59 -4.45 114.28 106.59 3fyg n THR 23 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 3fyg n THR 23 Cb 0.27 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.54 3fyg n THR 23 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fyg n ASP 24 N 0.00 -3.20 -4.82 3.42 8.00 -0.39 -4.89 116.55 114.67 3fyg n ASP 24 Ca 0.00 -0.76 -0.33 0.00 0.71 0.00 0.00 54.79 54.41 3fyg n ASP 24 Cb 0.00 -4.15 -0.05 0.00 -0.02 0.00 0.00 41.12 36.91 3fyg n ASP 24 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3fyg s SER 25 N -3.84 6.62 -0.09 -2.24 0.01 0.48 -5.12 113.70 109.53 3fyg s SER 25 Ca 0.33 1.74 -0.16 0.00 1.31 0.00 0.00 55.95 59.16 3fyg s SER 25 Cb -0.16 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 3fyg s SER 25 CO 0.81 -0.58 0.42 -0.55 0.41 0.00 0.00 173.24 173.74 3fyg s SER 26 N -2.36 6.68 -0.01 2.44 0.15 -1.26 -4.79 113.70 114.55 3fyg s SER 26 Ca 0.63 0.81 -0.18 0.00 0.70 0.00 0.00 55.95 57.91 3fyg s SER 26 Cb -0.12 -2.26 0.03 0.00 -1.71 0.00 0.00 66.02 61.97 3fyg s SER 26 CO 0.20 0.12 0.38 -1.61 1.20 0.00 0.00 173.24 173.54 3fyg s GLU 28 N 0.04 0.77 0.09 5.44 2.02 -0.33 -2.31 118.70 124.42 3fyg s GLU 28 Ca 0.23 -0.16 0.03 0.00 0.02 0.00 0.00 54.97 55.10 3fyg s GLU 28 Cb -0.15 0.34 -0.04 0.00 0.10 0.00 0.00 34.13 34.38 3fyg s GLU 28 CO 0.10 -0.23 0.08 -1.21 0.02 0.00 0.00 175.26 174.03 3fyg s GLU 29 N -1.50 2.86 -0.53 1.61 2.02 -1.26 -2.16 118.70 119.74 3fyg s GLU 29 Ca -0.12 -0.73 0.04 0.00 0.02 0.00 0.00 54.97 54.18 3fyg s GLU 29 Cb -0.04 -2.70 0.14 0.00 0.10 0.00 0.00 34.13 31.63 3fyg s GLU 29 CO 0.04 0.55 0.29 0.21 0.02 0.00 0.00 175.26 176.38 3fyg s LYS 30 N -2.49 1.89 0.00 1.61 2.47 0.46 -4.85 119.74 118.83 3fyg s LYS 30 Ca 0.29 -2.60 0.00 0.00 -1.56 0.00 0.00 55.97 52.10 3fyg s LYS 30 Cb -0.12 -3.09 0.00 0.00 -1.46 0.00 0.00 37.83 33.16 3fyg s LYS 30 CO 0.22 -1.15 0.00 0.54 0.16 0.00 0.00 175.35 175.11 3fyg n ARG 31 N 3.01 -0.00 -3.65 4.03 5.12 -1.26 -4.36 116.66 119.53 3fyg n ARG 31 Ca 0.09 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.97 3fyg n ARG 31 Cb 0.33 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.57 3fyg n ARG 31 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fyg s ALA 33 N -3.40 -1.70 -0.08 7.54 0.00 -1.26 -4.89 121.76 117.97 3fyg s ALA 33 Ca 0.00 2.02 -0.16 0.00 0.00 0.00 0.00 51.96 53.82 3fyg s ALA 33 Cb 0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 3fyg s ALA 33 CO 0.00 -0.86 0.40 1.41 0.00 0.00 0.00 175.76 176.71 3fyg s MET 34 N 2.78 4.15 1.07 0.00 -2.45 -1.26 -4.74 119.30 118.84 3fyg s MET 34 Ca -0.04 0.34 -0.20 0.00 -1.25 0.00 0.00 55.69 54.54 3fyg s MET 34 Cb -0.12 -3.35 0.02 0.00 1.25 0.00 0.00 34.83 32.63 3fyg s MET 34 CO -0.17 0.38 -0.31 0.41 1.05 0.00 0.00 175.02 176.39 3fyg n GLY 35 N 2.74 -2.65 2.87 2.11 0.00 0.90 -4.79 105.19 106.37 3fyg n GLY 35 Ca -0.11 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 3fyg n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fyg n ASP 36 N -0.34 0.33 -4.88 1.61 5.75 -1.26 -3.76 116.55 114.00 3fyg n ASP 36 Ca 0.01 -1.49 -0.33 0.00 -0.01 0.00 0.00 54.79 52.97 3fyg n ASP 36 Cb 0.64 -0.68 -0.05 0.00 -1.03 0.00 0.00 41.12 39.99 3fyg n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fyg s ALA 37 N -3.73 3.69 0.06 2.12 0.00 -1.26 -2.81 121.76 119.83 3fyg s ALA 37 Ca 0.54 -0.40 -0.35 0.00 0.00 0.00 0.00 51.96 51.75 3fyg s ALA 37 Cb -0.02 -2.28 -0.20 0.00 0.00 0.00 0.00 23.12 20.62 3fyg s ALA 37 CO 0.38 0.58 1.58 -1.00 0.00 0.00 0.00 175.76 177.30 3fyg h PRO 38 N 2.98 -1.09 0.00 0.00 0.13 -2.05 -3.52 132.00 128.46 3fyg h PRO 38 Ca -0.47 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3fyg h PRO 38 Cb 1.17 0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.55 3fyg h PRO 38 CO 0.70 -0.72 0.00 -0.25 -0.23 0.00 0.00 178.00 177.49 3fyg n ASP 39 N -5.57 0.00 -3.69 1.44 8.00 -1.12 -5.10 116.55 110.50 3fyg n ASP 39 Ca -0.15 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.21 3fyg n ASP 39 Cb 0.45 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.41 3fyg n ASP 39 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3fyg s ASP 41 N 0.00 0.17 -0.17 -2.24 2.15 -1.25 -4.97 116.67 110.37 3fyg s ASP 41 Ca 0.00 0.50 0.14 0.00 0.43 0.00 0.00 52.55 53.61 3fyg s ASP 41 Cb 0.00 0.48 0.40 0.00 -0.30 0.00 0.00 42.92 43.50 3fyg s ASP 41 CO 0.00 -0.21 1.20 0.54 -0.17 0.00 0.00 175.17 176.53 3fyg n ARG 42 N 4.86 1.29 -0.21 4.34 1.74 -1.26 0.31 116.66 127.72 3fyg n ARG 42 Ca -0.14 -2.98 -0.07 0.00 -0.77 0.00 0.00 57.85 53.88 3fyg n ARG 42 Cb 0.51 -1.35 0.03 0.00 -1.02 0.00 0.00 32.46 30.63 3fyg n ARG 42 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3fyg h SER 43 N 0.86 0.80 -0.11 0.55 4.64 -1.96 0.67 113.55 119.01 3fyg h SER 43 Ca -0.03 -0.15 0.03 0.00 -0.47 0.00 0.00 61.79 61.17 3fyg h SER 43 Cb 1.14 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3fyg h SER 43 CO 0.01 0.72 0.17 0.06 -0.87 0.00 0.00 176.83 176.93 3fyg h GLN 44 N 0.82 0.00 0.00 4.77 3.07 -1.86 0.69 115.11 122.60 3fyg h GLN 44 Ca 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.90 3fyg h GLN 44 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.70 3fyg h GLN 44 CO -0.02 0.00 -0.52 2.35 0.09 0.00 0.00 178.83 180.73 3fyg h TRP 45 N 0.00 0.00 -0.28 0.06 -0.00 -1.80 -3.38 115.95 110.55 3fyg h TRP 45 Ca 0.05 0.00 0.08 0.00 -0.00 0.00 0.00 58.89 59.02 3fyg h TRP 45 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.55 3fyg h TRP 45 CO 0.00 0.38 0.25 -0.07 -0.00 0.00 0.00 178.44 179.00 3fyg h LEU 46 N -1.00 0.00 -0.74 0.65 3.38 -0.39 0.68 115.31 117.89 3fyg h LEU 46 Ca -0.07 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3fyg h LEU 46 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3fyg h LEU 46 CO -0.04 0.00 -0.50 0.78 0.09 0.00 0.00 178.44 178.77 3fyg h ASN 47 N 0.00 0.00 -0.00 -0.43 2.35 0.20 -3.30 115.58 114.40 3fyg h ASN 47 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3fyg h ASN 47 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3fyg h ASN 47 CO -0.00 0.50 -0.00 -1.84 -1.65 0.00 0.00 177.43 174.44 3fyg n GLU 48 N -3.57 -0.04 -0.31 0.81 0.28 0.32 -4.79 120.64 113.34 3fyg n GLU 48 Ca -0.00 -0.46 0.14 0.00 -0.16 0.00 0.00 57.16 56.68 3fyg n GLU 48 Cb 0.59 -0.95 0.28 0.00 1.43 0.00 0.00 31.44 32.79 3fyg n GLU 48 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3fyg n LYS 49 N -0.10 -0.07 -0.54 3.44 4.81 0.21 0.15 118.16 126.06 3fyg n LYS 49 Ca 0.00 1.32 0.10 0.00 -0.87 0.00 0.00 58.31 58.87 3fyg n LYS 49 Cb 0.01 -2.12 0.35 0.00 0.02 0.00 0.00 35.03 33.28 3fyg n LYS 49 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3fyg n PHE 50 N -5.28 1.33 -0.02 5.64 3.72 -1.26 -4.30 117.46 117.28 3fyg n PHE 50 Ca 0.22 -0.58 0.04 0.00 -0.05 0.00 0.00 57.45 57.08 3fyg n PHE 50 Cb 0.72 -0.17 0.10 0.00 -0.94 0.00 0.00 39.48 39.18 3fyg n PHE 50 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3fyg n LYS 51 N 1.26 2.29 -0.13 -1.08 4.01 0.12 -4.54 118.16 120.09 3fyg n LYS 51 Ca 0.25 -1.70 0.09 0.00 -0.51 0.00 0.00 58.31 56.44 3fyg n LYS 51 Cb 0.81 -1.19 0.15 0.00 -0.51 0.00 0.00 35.03 34.29 3fyg n LYS 51 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3fyg n LEU 52 N 0.30 2.94 -1.60 -0.35 4.77 -1.20 -4.96 117.00 116.90 3fyg n LEU 52 Ca 0.08 -1.47 -0.14 0.00 -0.03 0.00 0.00 56.01 54.45 3fyg n LEU 52 Cb 0.34 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3fyg n LEU 52 CO 0.06 0.64 -0.16 0.61 -1.33 0.00 0.00 177.39 177.21 3fyg n GLY 53 N 1.05 -0.18 3.73 -0.72 0.00 -1.26 -4.99 105.19 102.80 3fyg n GLY 53 Ca 0.14 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3fyg n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fyg s LEU 54 N -3.96 4.43 0.00 0.99 1.43 -1.26 -4.93 118.68 115.38 3fyg s LEU 54 Ca 0.02 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 3fyg s LEU 54 Cb -0.01 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.75 3fyg s LEU 54 CO 0.03 -0.11 0.83 0.47 0.23 0.00 0.00 176.35 177.79 3fyg n ASP 55 N 3.21 0.00 -4.08 2.29 8.00 -1.26 -3.68 116.55 121.03 3fyg n ASP 55 Ca 0.02 0.83 -0.35 0.00 0.71 0.00 0.00 54.79 55.99 3fyg n ASP 55 Cb 0.50 -0.33 -0.08 0.00 -0.02 0.00 0.00 41.12 41.19 3fyg n ASP 55 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3fyg s PHE 56 N -2.32 3.66 0.02 1.24 0.40 -1.26 -5.05 117.98 114.68 3fyg s PHE 56 Ca 0.00 -2.94 -0.29 0.00 -0.60 0.00 0.00 56.93 53.11 3fyg s PHE 56 Cb 0.00 -3.17 -0.15 0.00 0.51 0.00 0.00 43.02 40.21 3fyg s PHE 56 CO 0.00 -0.76 0.74 -0.35 0.70 0.00 0.00 175.22 175.55 3fyg n PRO 57 N 2.75 0.00 -3.90 0.24 -0.05 -1.24 -4.87 135.00 127.93 3fyg n PRO 57 Ca 0.16 0.00 -0.01 0.00 -0.05 0.00 0.00 63.50 63.59 3fyg n PRO 57 Cb 0.37 -1.07 0.02 0.00 -0.05 0.00 0.00 33.50 32.77 3fyg n PRO 57 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 175.50 176.66 3fyg s ASN 58 N -0.11 0.00 -0.07 3.54 3.84 -1.26 -5.10 114.94 115.78 3fyg s ASN 58 Ca 0.65 -0.52 0.02 0.00 0.21 0.00 0.00 52.86 53.22 3fyg s ASN 58 Cb -0.92 0.39 0.02 0.00 -0.55 0.00 0.00 41.25 40.19 3fyg s ASN 58 CO 0.43 -0.77 -0.11 -0.76 -2.79 0.00 0.00 177.10 173.10 3fyg s LEU 59 N -3.51 1.54 0.00 3.21 1.43 -1.26 -4.99 118.68 115.10 3fyg s LEU 59 Ca 0.24 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 3fyg s LEU 59 Cb -0.02 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.42 3fyg s LEU 59 CO 0.03 0.00 0.00 -0.81 0.23 0.00 0.00 176.35 175.80 3fyg n PRO 60 N 4.00 0.36 -3.59 1.29 -0.04 -1.26 -4.95 135.00 130.82 3fyg n PRO 60 Ca -0.22 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.23 3fyg n PRO 60 Cb 0.51 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.91 3fyg n PRO 60 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3fyg s LEU 62 N 0.00 -0.46 -0.20 1.53 2.96 -0.62 -3.96 118.68 117.94 3fyg s LEU 62 Ca 0.00 0.71 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 3fyg s LEU 62 Cb 0.00 1.63 0.02 0.00 0.50 0.00 0.00 46.19 48.34 3fyg s LEU 62 CO 0.00 -0.11 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.14 3fyg s ILE 63 N 1.53 2.39 -0.53 6.68 1.01 0.11 0.25 121.20 132.64 3fyg s ILE 63 Ca -0.08 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.69 3fyg s ILE 63 Cb -0.04 -2.08 0.16 0.00 0.01 0.00 0.00 42.46 40.51 3fyg s ILE 63 CO -0.15 0.44 0.35 -0.62 0.00 0.00 0.00 174.94 174.97 3fyg s ASP 64 N 1.31 3.52 1.53 3.58 2.15 0.14 0.83 116.67 129.73 3fyg s ASP 64 Ca 0.04 -3.19 0.00 0.00 0.43 0.00 0.00 52.55 49.83 3fyg s ASP 64 Cb -0.14 -1.12 0.00 0.00 -0.30 0.00 0.00 42.92 41.36 3fyg s ASP 64 CO -0.10 -0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 3fyg n GLY 65 N 2.79 2.27 0.27 2.66 0.00 -1.26 -1.02 105.19 110.91 3fyg n GLY 65 Ca 0.18 -0.36 0.16 0.00 0.00 0.00 0.00 46.02 46.00 3fyg n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fyg h SER 66 N 0.74 0.00 -3.65 1.61 4.64 -2.02 -3.41 113.55 111.46 3fyg h SER 66 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3fyg h SER 66 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 3fyg h SER 66 CO 0.00 0.05 0.94 -0.13 -0.87 0.00 0.00 176.83 176.82 3fyg s ARG 67 N -3.71 3.73 -0.30 4.77 0.52 -0.19 -5.01 118.95 118.75 3fyg s ARG 67 Ca 0.01 0.63 -0.03 0.00 -0.52 0.00 0.00 55.73 55.82 3fyg s ARG 67 Cb 0.10 -3.91 0.04 0.00 0.52 0.00 0.00 34.95 31.70 3fyg s ARG 67 CO 0.56 -1.38 0.02 0.15 0.02 0.00 0.00 175.30 174.67 3fyg s LYS 68 N 4.47 2.55 -0.07 3.54 1.02 -1.26 0.27 119.74 130.26 3fyg s LYS 68 Ca 0.49 -1.19 0.05 0.00 0.02 0.00 0.00 55.97 55.34 3fyg s LYS 68 Cb -0.08 -3.23 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 3fyg s LYS 68 CO 0.31 -0.59 -0.24 0.42 -0.92 0.00 0.00 175.35 174.33 3fyg s ILE 69 N 1.30 2.01 0.47 2.17 1.01 0.14 -4.66 121.20 123.64 3fyg s ILE 69 Ca -0.04 -1.02 0.06 0.00 0.00 0.00 0.00 60.65 59.65 3fyg s ILE 69 Cb -0.19 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 3fyg s ILE 69 CO -0.00 0.55 0.30 0.42 0.00 0.00 0.00 174.94 176.21 3fyg s THR 70 N 0.00 2.03 -0.01 2.92 -4.23 -1.26 -1.58 115.64 113.51 3fyg s THR 70 Ca -0.08 -1.56 -0.01 0.00 -1.18 0.00 0.00 61.69 58.86 3fyg s THR 70 Cb -0.15 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.10 3fyg s THR 70 CO 0.05 0.00 0.02 0.00 -0.54 0.00 0.00 174.62 174.15 3fyg n GLN 71 N -1.52 -0.34 -0.33 3.99 1.13 -1.25 -4.12 117.38 114.93 3fyg n GLN 71 Ca -0.02 0.72 0.20 0.00 -1.94 0.00 0.00 57.00 55.97 3fyg n GLN 71 Cb 0.64 -1.31 0.39 0.00 0.11 0.00 0.00 30.24 30.08 3fyg n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3fyg h SER 72 N 0.30 -0.09 -0.65 1.08 4.64 -1.93 0.66 113.55 117.57 3fyg h SER 72 Ca -0.04 0.25 -0.06 0.00 -0.47 0.00 0.00 61.79 61.47 3fyg h SER 72 Cb 0.09 0.36 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3fyg h SER 72 CO 0.00 -0.33 0.19 0.78 -0.87 0.00 0.00 176.83 176.59 3fyg h ASN 73 N 0.06 0.98 -0.16 4.97 2.35 -1.96 0.13 115.58 121.96 3fyg h ASN 73 Ca 0.68 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 56.23 3fyg h ASN 73 Cb 1.55 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.66 3fyg h ASN 73 CO -0.81 0.93 0.06 0.00 -1.65 0.00 0.00 177.43 175.96 3fyg h ALA 74 N 1.20 0.20 -0.63 -0.83 0.00 -0.05 0.15 119.26 119.30 3fyg h ALA 74 Ca 0.22 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3fyg h ALA 74 Cb 0.32 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 3fyg h ALA 74 CO -0.00 -0.21 0.29 0.82 0.00 0.00 0.00 179.25 180.14 3fyg h ILE 75 N 0.10 0.85 -0.54 0.00 2.04 -0.20 -2.13 117.51 117.63 3fyg h ILE 75 Ca 0.05 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3fyg h ILE 75 Cb 0.16 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 3fyg h ILE 75 CO -0.00 0.09 0.33 0.24 0.00 0.00 0.00 178.15 178.81 3fyg h MET 76 N 0.52 0.74 -1.25 2.37 2.86 -0.01 -1.70 114.93 118.45 3fyg h MET 76 Ca 0.30 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3fyg h MET 76 Cb 0.30 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3fyg h MET 76 CO -0.25 0.53 0.00 0.54 1.06 0.00 0.00 176.91 178.79 3fyg n ARG 77 N -4.67 0.24 0.00 1.72 1.74 0.46 -0.60 116.66 115.55 3fyg n ARG 77 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3fyg n ARG 77 Cb 0.05 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 3fyg n ARG 77 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3fyg n LEU 79 N 0.71 0.00 -0.08 0.55 4.77 -0.64 -0.64 117.00 121.68 3fyg n LEU 79 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 3fyg n LEU 79 Cb 0.10 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 3fyg n LEU 79 CO 0.00 0.00 0.82 0.00 -1.33 0.00 0.00 177.39 176.88 3fyg h ALA 80 N 0.00 0.32 -0.14 -1.18 0.00 -1.12 -1.72 119.26 115.42 3fyg h ALA 80 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3fyg h ALA 80 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3fyg h ALA 80 CO 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 179.25 179.31 3fyg h ARG 81 N 0.22 0.20 -0.70 0.00 3.08 -1.13 0.93 114.38 116.98 3fyg h ARG 81 Ca 0.08 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.25 3fyg h ARG 81 Cb 0.29 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.20 3fyg h ARG 81 CO 0.00 0.21 0.17 -0.22 -1.07 0.00 0.00 179.97 179.06 3fyg h LYS 82 N 0.14 0.28 -0.60 0.04 3.64 -1.78 -1.94 116.57 116.35 3fyg h LYS 82 Ca 0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3fyg h LYS 82 Cb 0.06 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3fyg h LYS 82 CO -0.01 0.18 0.00 0.72 -2.27 0.00 0.00 179.45 178.07 3fyg n HIS 83 N -5.13 0.81 -2.97 1.91 8.25 -0.66 -4.98 115.22 112.45 3fyg n HIS 83 Ca 0.12 -0.50 -0.12 0.00 -0.26 0.00 0.00 57.72 56.96 3fyg n HIS 83 Cb 0.41 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.57 3fyg n HIS 83 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3fyg n HIS 84 N 1.24 -1.68 -1.94 4.41 8.25 0.26 -4.95 115.22 120.80 3fyg n HIS 84 Ca 0.20 0.67 -0.17 0.00 -0.26 0.00 0.00 57.72 58.16 3fyg n HIS 84 Cb 0.56 -4.09 0.06 0.00 1.12 0.00 0.00 29.99 27.64 3fyg n HIS 84 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3fyg n LEU 85 N -3.13 4.40 -4.92 2.41 4.77 0.22 -5.00 117.00 115.75 3fyg n LEU 85 Ca -0.16 -4.54 -0.19 0.00 -0.03 0.00 0.00 56.01 51.09 3fyg n LEU 85 Cb 0.61 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3fyg n LEU 85 CO 0.44 1.94 0.04 0.00 -1.33 0.00 0.00 177.39 178.48 3fyg s GLY 87 N -4.18 2.93 0.00 0.00 0.00 -1.26 -4.92 107.32 99.88 3fyg s GLY 87 Ca 0.49 1.31 0.22 0.00 0.00 0.00 0.00 44.72 46.73 3fyg s GLY 87 CO 0.30 1.90 1.02 1.18 0.00 0.00 0.00 173.10 177.50 3fyg n GLU 88 N 0.08 0.37 -4.31 2.90 1.02 -1.26 -4.69 120.64 114.75 3fyg n GLU 88 Ca 0.04 -0.30 -0.17 0.00 -0.02 0.00 0.00 57.16 56.72 3fyg n GLU 88 Cb 0.43 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.25 3fyg n GLU 88 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3fyg s THR 89 N -2.84 1.49 0.13 2.62 -4.23 -1.26 -5.02 115.64 106.53 3fyg s THR 89 Ca 0.12 -2.15 -0.18 0.00 -1.18 0.00 0.00 61.69 58.30 3fyg s THR 89 Cb 0.17 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 72.01 3fyg s THR 89 CO 0.76 -0.65 1.75 -0.08 -0.54 0.00 0.00 174.62 175.86 3fyg h GLU 90 N 2.65 0.21 -0.52 3.99 4.57 -1.98 0.35 114.58 123.84 3fyg h GLU 90 Ca -0.37 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 57.88 3fyg h GLU 90 Cb 1.21 -0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.65 3fyg h GLU 90 CO 0.63 0.14 -0.40 1.49 -1.18 0.00 0.00 179.01 179.69 3fyg h GLU 91 N 0.22 -0.23 -0.45 1.92 4.81 -1.97 0.90 114.58 119.78 3fyg h GLU 91 Ca 0.11 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 3fyg h GLU 91 Cb 0.07 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 3fyg h GLU 91 CO -0.10 -0.15 0.24 0.93 -0.73 0.00 0.00 179.01 179.19 3fyg h GLU 92 N -0.24 0.46 -0.72 1.92 5.08 -1.54 -1.47 114.58 118.07 3fyg h GLU 92 Ca 0.18 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3fyg h GLU 92 Cb 0.56 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 3fyg h GLU 92 CO -0.64 0.31 0.48 0.00 -1.00 0.00 0.00 179.01 178.15 3fyg h ARG 93 N 0.48 0.78 -0.13 2.33 3.08 0.83 0.10 114.38 121.86 3fyg h ARG 93 Ca 0.19 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 3fyg h ARG 93 Cb 0.08 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3fyg h ARG 93 CO -0.12 0.52 -0.22 0.82 -1.07 0.00 0.00 179.97 179.90 3fyg h ILE 94 N 0.81 1.37 -0.74 2.04 2.04 -0.20 -2.17 117.51 120.67 3fyg h ILE 94 Ca 0.30 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.70 3fyg h ILE 94 Cb 0.17 2.02 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 3fyg h ILE 94 CO -0.09 0.43 0.48 0.03 0.00 0.00 0.00 178.15 178.99 3fyg h ARG 95 N -0.03 0.98 -0.46 2.37 3.08 -0.69 -0.87 114.38 118.75 3fyg h ARG 95 Ca 0.01 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 3fyg h ARG 95 Cb 0.79 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3fyg h ARG 95 CO 0.05 0.66 -0.02 0.00 -1.07 0.00 0.00 179.97 179.58 3fyg h ALA 96 N 1.26 1.09 -0.49 0.04 0.00 -0.82 -1.27 119.26 119.07 3fyg h ALA 96 Ca 0.27 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3fyg h ALA 96 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3fyg h ALA 96 CO -0.06 0.57 -0.14 -0.44 0.00 0.00 0.00 179.25 179.19 3fyg h ASP 97 N 0.73 0.94 -0.11 0.00 3.32 -0.68 0.52 116.42 121.13 3fyg h ASP 97 Ca 0.14 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 3fyg h ASP 97 Cb 0.48 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3fyg h ASP 97 CO 0.02 1.07 -0.00 0.40 -1.72 0.00 0.00 179.24 179.01 3fyg h ILE 98 N 0.83 1.26 0.21 0.35 2.04 -1.12 -2.45 117.51 118.63 3fyg h ILE 98 Ca 0.13 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 3fyg h ILE 98 Cb 0.68 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 3fyg h ILE 98 CO 0.05 0.24 -0.10 0.58 0.00 0.00 0.00 178.15 178.92 3fyg h VAL 99 N -0.08 0.79 -0.73 1.67 2.07 -0.98 0.33 116.25 119.32 3fyg h VAL 99 Ca 0.03 -0.02 0.14 0.00 0.82 0.00 0.00 66.70 67.67 3fyg h VAL 99 Cb 0.37 0.81 -0.09 0.00 -1.52 0.00 0.00 31.29 30.85 3fyg h VAL 99 CO 0.01 0.00 0.28 -0.08 0.02 0.00 0.00 177.57 177.80 3fyg h GLU 100 N -0.30 0.41 -0.24 1.57 4.81 -0.00 0.11 114.58 120.94 3fyg h GLU 100 Ca -0.03 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.04 3fyg h GLU 100 Cb 0.23 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3fyg h GLU 100 CO 0.05 0.27 -0.41 -0.91 -0.73 0.00 0.00 179.01 177.28 3fyg h ASN 101 N 0.43 0.61 -0.37 1.04 2.35 -0.91 -3.14 115.58 115.58 3fyg h ASN 101 Ca 0.40 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 3fyg h ASN 101 Cb 0.60 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3fyg h ASN 101 CO -0.40 0.94 0.01 -0.61 -1.65 0.00 0.00 177.43 175.72 3fyg h GLN 102 N 0.47 0.65 -0.24 0.81 5.75 0.11 -2.81 115.11 119.85 3fyg h GLN 102 Ca 0.04 -0.20 0.03 0.00 -0.15 0.00 0.00 58.65 58.37 3fyg h GLN 102 Cb 0.91 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.37 3fyg h GLN 102 CO 0.08 0.75 0.04 0.28 -2.65 0.00 0.00 178.83 177.33 3fyg h VAL 103 N 0.48 0.88 -0.74 2.39 2.07 -1.05 -1.55 116.25 118.73 3fyg h VAL 103 Ca 0.11 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.67 3fyg h VAL 103 Cb 0.45 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 3fyg h VAL 103 CO 0.02 0.02 0.40 -0.03 0.02 0.00 0.00 177.57 178.00 3fyg h MET 104 N 0.13 0.67 0.15 1.57 1.85 -1.51 0.76 114.93 118.54 3fyg h MET 104 Ca 0.11 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.16 3fyg h MET 104 Cb 0.12 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 31.98 3fyg h MET 104 CO -0.15 0.44 -0.13 -0.44 -0.40 0.00 0.00 176.91 176.23 3fyg h ASP 105 N 0.69 -0.34 -0.67 1.39 3.32 -1.13 0.19 116.42 119.88 3fyg h ASP 105 Ca 0.35 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.35 3fyg h ASP 105 Cb 0.31 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3fyg h ASP 105 CO -0.24 -0.20 0.10 0.78 -1.72 0.00 0.00 179.24 177.97 3fyg h ASN 106 N -0.30 1.06 0.58 6.45 -0.26 -0.81 -0.36 115.58 121.95 3fyg h ASN 106 Ca -0.00 -0.26 -0.02 0.00 -0.56 0.00 0.00 56.30 55.46 3fyg h ASN 106 Cb 0.27 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.24 3fyg h ASN 106 CO -0.02 1.05 -0.38 -0.09 -1.06 0.00 0.00 177.43 176.93 3fyg h ARG 107 N 1.03 -0.89 -0.85 0.81 2.43 0.74 -2.15 114.38 115.50 3fyg h ARG 107 Ca 0.20 0.06 0.18 0.00 -0.81 0.00 0.00 59.98 59.61 3fyg h ARG 107 Cb 0.45 0.20 -0.11 0.00 -0.42 0.00 0.00 29.97 30.09 3fyg h ARG 107 CO 0.01 -0.59 0.38 0.52 -1.51 0.00 0.00 179.97 178.78 3fyg h MET 108 N -0.92 0.45 -0.53 0.20 2.86 -0.47 -0.36 114.93 116.17 3fyg h MET 108 Ca -0.07 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3fyg h MET 108 Cb 0.76 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 3fyg h MET 108 CO 0.05 0.30 0.32 1.96 1.06 0.00 0.00 176.91 180.60 3fyg h GLN 109 N 0.47 0.62 0.29 1.72 4.20 -0.49 -0.96 115.11 120.95 3fyg h GLN 109 Ca 0.50 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.16 3fyg h GLN 109 Cb 0.85 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3fyg h GLN 109 CO -0.46 0.41 -0.14 1.25 -0.67 0.00 0.00 178.83 179.22 3fyg h LEU 110 N 0.63 -0.33 -0.45 1.46 5.85 -0.58 -2.95 115.31 118.94 3fyg h LEU 110 Ca 0.21 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.88 3fyg h LEU 110 Cb 0.02 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 3fyg h LEU 110 CO -0.09 -0.06 -0.42 0.40 -0.34 0.00 0.00 178.44 177.92 3fyg h ILE 111 N -0.62 0.11 -0.96 4.05 5.03 -0.98 0.15 117.51 124.30 3fyg h ILE 111 Ca -0.04 0.00 0.20 0.00 -0.12 0.00 0.00 64.86 64.90 3fyg h ILE 111 Cb 0.44 0.11 -0.18 0.00 -3.03 0.00 0.00 36.82 34.16 3fyg h ILE 111 CO 0.07 0.00 -0.20 0.24 -0.68 0.00 0.00 178.15 177.57 3fyg h MET 112 N -0.30 0.00 0.15 2.37 2.86 -1.17 -1.39 114.93 117.46 3fyg h MET 112 Ca 0.15 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3fyg h MET 112 Cb 0.58 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3fyg h MET 112 CO -0.60 0.00 -0.07 1.25 1.06 0.00 0.00 176.91 178.55 3fyg h LEU 113 N 0.00 -0.17 -0.13 1.22 5.85 -0.63 -2.81 115.31 118.64 3fyg h LEU 113 Ca 0.48 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3fyg h LEU 113 Cb 0.76 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3fyg h LEU 113 CO -0.97 0.24 0.04 0.00 -0.34 0.00 0.00 178.44 177.41 3fyg n TYR 115 N -1.53 0.42 -2.90 0.00 4.02 -0.83 0.25 117.16 116.59 3fyg n TYR 115 Ca -0.00 -0.64 -0.43 0.00 -0.01 0.00 0.00 57.90 56.81 3fyg n TYR 115 Cb 0.05 -0.11 -0.04 0.00 -0.02 0.00 0.00 39.34 39.22 3fyg n TYR 115 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 3fyg s ASN 116 N -1.43 6.20 0.15 7.72 3.84 0.10 -4.91 114.94 126.62 3fyg s ASN 116 Ca 0.23 -1.11 -0.03 0.00 0.21 0.00 0.00 52.86 52.16 3fyg s ASN 116 Cb 0.16 -2.40 0.26 0.00 -0.55 0.00 0.00 41.25 38.72 3fyg s ASN 116 CO 0.09 -1.38 0.82 -2.65 -2.79 0.00 0.00 177.10 171.19 3fyg n PRO 117 N 7.46 -0.05 0.00 0.43 -0.01 -1.26 0.32 135.00 141.89 3fyg n PRO 117 Ca -0.03 0.81 0.00 0.00 -0.01 0.00 0.00 63.50 64.27 3fyg n PRO 117 Cb 0.45 -1.22 0.00 0.00 -0.01 0.00 0.00 33.50 32.72 3fyg n PRO 117 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 175.50 172.02 3fyg n ASP 118 N -4.82 1.23 0.00 2.55 -0.08 -1.26 -4.71 116.55 109.46 3fyg n ASP 118 Ca 0.09 -1.44 0.00 0.00 -1.51 0.00 0.00 54.79 51.93 3fyg n ASP 118 Cb 0.28 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.38 3fyg n ASP 118 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3fyg n PHE 119 N 0.32 0.00 0.00 -0.67 7.35 0.95 -2.56 117.46 122.84 3fyg n PHE 119 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3fyg n PHE 119 Cb 0.24 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.07 3fyg n PHE 119 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3fyg n GLU 120 N 0.00 0.00 0.26 -4.13 -0.58 -1.26 0.21 120.64 115.14 3fyg n GLU 120 Ca 0.00 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 3fyg n GLU 120 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 3fyg n GLU 120 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3fyg h LYS 121 N 0.00 -0.67 0.00 3.49 3.64 -1.89 -3.28 116.57 117.87 3fyg h LYS 121 Ca 0.00 0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 3fyg h LYS 121 Cb 0.00 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3fyg h LYS 121 CO 0.00 -0.36 -0.27 0.37 -2.27 0.00 0.00 179.45 176.91 3fyg h GLN 122 N -1.03 0.00 0.00 1.90 5.75 0.25 -3.33 115.11 118.65 3fyg h GLN 122 Ca -0.07 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3fyg h GLN 122 Cb 0.61 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.16 3fyg h GLN 122 CO 0.12 0.27 0.31 1.17 -2.65 0.00 0.00 178.83 178.05 3fyg n LYS 123 N -3.20 0.01 -0.09 1.69 4.81 -0.24 -1.12 118.16 120.02 3fyg n LYS 123 Ca 0.02 0.26 -0.14 0.00 -0.87 0.00 0.00 58.31 57.58 3fyg n LYS 123 Cb 0.60 -1.84 -0.07 0.00 0.02 0.00 0.00 35.03 33.74 3fyg n LYS 123 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3fyg n PRO 124 N -1.31 0.41 0.24 1.64 -0.04 -1.25 -3.85 135.00 130.83 3fyg n PRO 124 Ca -0.00 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 3fyg n PRO 124 Cb 0.31 -1.28 0.62 0.00 -0.04 0.00 0.00 33.50 33.11 3fyg n PRO 124 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3fyg h GLU 125 N -0.19 0.00 -0.14 0.54 4.39 -1.53 -2.73 114.58 114.91 3fyg h GLU 125 Ca -0.40 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.27 3fyg h GLU 125 Cb 1.53 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.17 3fyg h GLU 125 CO -0.12 0.17 -0.03 0.35 -1.16 0.00 0.00 179.01 178.22 3fyg h PHE 126 N 0.00 0.30 0.00 4.33 3.04 -1.33 -1.57 116.94 121.72 3fyg h PHE 126 Ca -0.00 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.88 3fyg h PHE 126 Cb 0.46 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.90 3fyg h PHE 126 CO 0.00 0.56 0.00 1.28 -2.02 0.00 0.00 178.31 178.13 3fyg n LEU 127 N -4.71 0.50 0.21 0.59 4.77 -1.05 -0.78 117.00 116.53 3fyg n LEU 127 Ca -0.06 0.72 0.06 0.00 -0.03 0.00 0.00 56.01 56.70 3fyg n LEU 127 Cb 0.25 -0.76 0.46 0.00 -2.33 0.00 0.00 43.42 41.04 3fyg n LEU 127 CO 0.37 -0.84 0.79 0.11 -1.33 0.00 0.00 177.39 176.48 3fyg h LYS 128 N 0.00 0.00 0.00 3.23 6.56 -1.09 -3.21 116.57 122.06 3fyg h LYS 128 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3fyg h LYS 128 Cb 0.05 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 3fyg h LYS 128 CO 0.00 0.30 -0.63 0.25 -2.06 0.00 0.00 179.45 177.31 3fyg n THR 129 N -3.84 0.11 0.17 -0.16 -2.24 0.04 -4.47 114.28 103.89 3fyg n THR 129 Ca -0.01 -0.10 0.04 0.00 -2.27 0.00 0.00 64.05 61.70 3fyg n THR 129 Cb 0.38 0.18 0.45 0.00 -2.10 0.00 0.00 70.33 69.25 3fyg n THR 129 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3fyg h ILE 130 N 0.00 1.15 0.00 2.28 2.04 -1.65 -2.66 117.51 118.66 3fyg h ILE 130 Ca 0.00 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 3fyg h ILE 130 Cb 0.59 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3fyg h ILE 130 CO 0.00 0.20 -0.20 -0.65 0.00 0.00 0.00 178.15 177.50 3fyg h PRO 131 N 0.13 0.00 0.18 2.37 0.11 -1.80 -0.55 132.00 132.43 3fyg h PRO 131 Ca 0.03 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.82 3fyg h PRO 131 Cb 0.32 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.46 3fyg h PRO 131 CO 0.02 0.20 -1.34 1.49 -0.21 0.00 0.00 178.00 178.16 3fyg h GLU 132 N 0.00 0.56 -0.08 1.05 4.81 -1.83 0.14 114.58 119.23 3fyg h GLU 132 Ca -0.00 -0.83 0.04 0.00 -0.13 0.00 0.00 59.36 58.43 3fyg h GLU 132 Cb 0.73 0.29 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 3fyg h GLU 132 CO 0.03 1.39 -0.24 0.87 -0.73 0.00 0.00 179.01 180.32 3fyg h LYS 133 N 0.21 -0.32 -0.49 1.92 1.57 -1.12 -0.31 116.57 118.02 3fyg h LYS 133 Ca -0.21 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3fyg h LYS 133 Cb 2.02 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 34.38 3fyg h LYS 133 CO 0.25 -0.21 0.22 0.52 -0.57 0.00 0.00 179.45 179.66 3fyg h MET 134 N -0.33 0.72 -0.89 3.15 2.86 -1.13 -2.27 114.93 117.04 3fyg h MET 134 Ca 0.09 -0.12 0.07 0.00 -2.06 0.00 0.00 59.70 57.68 3fyg h MET 134 Cb 0.46 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 31.92 3fyg h MET 134 CO -0.27 0.62 0.55 -0.22 1.06 0.00 0.00 176.91 178.65 3fyg h LYS 135 N 0.66 0.95 0.00 1.72 1.63 -0.74 -0.77 116.57 120.02 3fyg h LYS 135 Ca 0.17 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 3fyg h LYS 135 Cb 0.15 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 3fyg h LYS 135 CO -0.02 0.63 0.00 1.28 -3.45 0.00 0.00 179.45 177.89 3fyg n LEU 136 N -4.62 0.00 0.00 5.20 4.77 -0.15 -1.19 117.00 121.01 3fyg n LEU 136 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3fyg n LEU 136 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3fyg n LEU 136 CO 0.30 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.12 3fyg n SER 138 N 0.15 0.00 -0.23 -1.43 2.88 -0.30 -1.99 113.62 112.71 3fyg n SER 138 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 3fyg n SER 138 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 3fyg n SER 138 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3fyg h GLU 139 N 0.00 1.09 0.04 -1.46 5.08 -1.43 -1.32 114.58 116.59 3fyg h GLU 139 Ca 0.00 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.04 3fyg h GLU 139 Cb 0.00 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3fyg h GLU 139 CO 0.00 1.03 -0.07 0.35 -1.00 0.00 0.00 179.01 179.33 3fyg h PHE 140 N 1.01 -0.17 -0.45 4.33 3.57 -1.62 -2.80 116.94 120.81 3fyg h PHE 140 Ca 0.19 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.58 3fyg h PHE 140 Cb 0.51 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 3fyg h PHE 140 CO 0.04 -0.10 -0.18 1.25 -2.23 0.00 0.00 178.31 177.09 3fyg h LEU 141 N -0.13 0.88 0.00 0.59 5.85 -1.83 -3.47 115.31 117.20 3fyg h LEU 141 Ca 0.01 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3fyg h LEU 141 Cb 0.14 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3fyg h LEU 141 CO -0.04 1.04 0.00 0.61 -0.34 0.00 0.00 178.44 179.71 3fyg n GLY 142 N -0.26 3.36 0.74 3.75 0.00 -0.50 -0.62 105.19 111.66 3fyg n GLY 142 Ca 0.01 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.30 3fyg n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fyg n LYS 143 N 14.00 2.02 -2.07 1.61 4.76 -1.26 -4.94 118.16 132.28 3fyg n LYS 143 Ca 0.00 -1.48 -0.37 0.00 -2.87 0.00 0.00 58.31 53.58 3fyg n LYS 143 Cb 0.00 -1.47 0.01 0.00 -1.84 0.00 0.00 35.03 31.73 3fyg n LYS 143 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3fyg s ARG 144 N -2.00 3.42 0.17 1.97 0.52 0.20 -4.89 118.95 118.35 3fyg s ARG 144 Ca 0.33 1.91 -0.06 0.00 -0.52 0.00 0.00 55.73 57.39 3fyg s ARG 144 Cb 0.20 -2.26 0.06 0.00 0.52 0.00 0.00 34.95 33.47 3fyg s ARG 144 CO 0.32 -0.87 1.49 -1.00 0.02 0.00 0.00 175.30 175.26 3fyg h PRO 145 N 1.63 0.70 -6.20 3.54 0.13 -1.88 -3.45 132.00 126.48 3fyg h PRO 145 Ca -0.50 -0.42 -0.57 0.00 -0.87 0.00 0.00 66.00 63.64 3fyg h PRO 145 Cb 1.27 0.04 -0.19 0.00 0.13 0.00 0.00 31.00 32.25 3fyg h PRO 145 CO 0.58 1.04 -0.80 -1.58 -0.23 0.00 0.00 178.00 177.00 3fyg s TRP 146 N -4.14 1.96 0.40 1.56 0.52 -0.67 -4.90 118.94 113.68 3fyg s TRP 146 Ca -0.09 -0.43 0.13 0.00 0.02 0.00 0.00 56.10 55.74 3fyg s TRP 146 Cb 0.11 -1.00 0.96 0.00 -1.15 0.00 0.00 33.47 32.39 3fyg s TRP 146 CO 0.86 0.35 1.90 0.74 0.02 0.00 0.00 176.95 180.83 3fyg h PHE 147 N 3.41 0.61 0.00 -1.98 -1.00 -1.88 -2.64 116.94 113.46 3fyg h PHE 147 Ca -0.44 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.27 3fyg h PHE 147 Cb 1.20 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.55 3fyg h PHE 147 CO 0.67 0.23 -1.44 0.00 -1.61 0.00 0.00 178.31 176.16 3fyg n ALA 148 N -2.49 2.32 0.00 2.45 0.00 -1.26 -4.78 120.51 116.75 3fyg n ALA 148 Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3fyg n ALA 148 Cb 0.49 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.03 3fyg n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fyg n GLY 149 N 1.31 -0.55 0.15 0.00 0.00 -1.00 -4.41 105.19 100.69 3fyg n GLY 149 Ca -0.06 -0.16 0.06 0.00 0.00 0.00 0.00 46.02 45.85 3fyg n GLY 149 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fyg h ASP 150 N 0.00 0.00 -3.11 1.61 3.32 -1.98 -1.77 116.42 114.49 3fyg h ASP 150 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 3fyg h ASP 150 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 3fyg h ASP 150 CO 0.00 0.32 -0.57 -1.59 -1.72 0.00 0.00 179.24 175.69 3fyg s LYS 151 N -3.07 3.35 0.59 3.56 -2.85 -1.26 -4.73 119.74 115.34 3fyg s LYS 151 Ca 0.03 -0.31 -0.19 0.00 -1.00 0.00 0.00 55.97 54.50 3fyg s LYS 151 Cb 0.07 -3.01 -0.04 0.00 -2.06 0.00 0.00 37.83 32.80 3fyg s LYS 151 CO 0.74 0.62 1.22 0.08 0.10 0.00 0.00 175.35 178.11 3fyg s VAL 152 N -0.63 2.58 0.00 1.79 1.01 -1.26 -4.63 120.40 119.26 3fyg s VAL 152 Ca 0.11 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.46 3fyg s VAL 152 Cb -0.12 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3fyg s VAL 152 CO 0.02 -0.07 0.00 0.35 0.00 0.00 0.00 175.10 175.40 3fyg n THR 153 N -1.53 0.00 0.00 3.92 -2.24 -1.26 -4.89 114.28 108.28 3fyg n THR 153 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3fyg n THR 153 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3fyg n THR 153 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3fyg n VAL 155 N 0.00 0.00 0.06 2.28 0.24 -1.26 -3.90 118.33 115.75 3fyg n VAL 155 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.25 3fyg n VAL 155 Cb 0.00 0.00 0.15 0.00 -1.47 0.00 0.00 33.84 32.52 3fyg n VAL 155 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3fyg h ASP 156 N 0.00 0.37 0.03 -1.34 3.32 -1.97 -1.02 116.42 115.82 3fyg h ASP 156 Ca 0.00 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.89 3fyg h ASP 156 Cb 0.00 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3fyg h ASP 156 CO 0.00 0.79 -0.10 -0.26 -1.72 0.00 0.00 179.24 177.95 3fyg h PHE 157 N 0.28 -0.25 -0.34 4.55 -1.00 -1.94 -2.94 116.94 115.30 3fyg h PHE 157 Ca 0.02 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.77 3fyg h PHE 157 Cb 0.94 0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.59 3fyg h PHE 157 CO 0.02 -0.15 0.07 -0.07 -1.61 0.00 0.00 178.31 176.57 3fyg h LEU 158 N -0.19 0.53 -1.11 1.54 3.38 -1.87 -1.86 115.31 115.73 3fyg h LEU 158 Ca 0.03 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3fyg h LEU 158 Cb 0.22 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3fyg h LEU 158 CO -0.08 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.09 3fyg n ALA 159 N -2.34 0.96 0.00 1.53 0.00 -0.40 -1.25 120.51 119.02 3fyg n ALA 159 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3fyg n ALA 159 Cb 0.21 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3fyg n ALA 159 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3fyg n ASP 161 N 0.51 0.00 -0.09 0.00 2.03 -0.70 -1.53 116.55 116.77 3fyg n ASP 161 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 3fyg n ASP 161 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 3fyg n ASP 161 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3fyg h ILE 162 N 0.00 1.14 0.04 5.18 1.08 -1.45 0.85 117.51 124.35 3fyg h ILE 162 Ca 0.00 -0.40 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 3fyg h ILE 162 Cb 0.00 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 3fyg h ILE 162 CO 0.00 0.15 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.52 3fyg h LEU 163 N 0.34 -0.05 -0.76 1.44 3.38 -1.54 -2.38 115.31 115.75 3fyg h LEU 163 Ca 0.10 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3fyg h LEU 163 Cb 0.10 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3fyg h LEU 163 CO -0.01 0.04 0.43 -0.78 0.09 0.00 0.00 178.44 178.20 3fyg h ASP 164 N -0.13 0.63 0.00 -0.43 3.58 -1.77 -1.01 116.42 117.29 3fyg h ASP 164 Ca -0.01 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3fyg h ASP 164 Cb 0.11 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.07 3fyg h ASP 164 CO 0.01 0.39 0.00 1.67 -2.88 0.00 0.00 179.24 178.43 3fyg n GLN 165 N -4.75 0.20 0.00 0.28 7.27 0.28 -1.15 117.38 119.51 3fyg n GLN 165 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.18 3fyg n GLN 165 Cb 0.22 -1.23 0.00 0.00 2.41 0.00 0.00 30.24 31.64 3fyg n GLN 165 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 3fyg n HIS 167 N 0.62 0.00 -0.34 3.69 -0.00 -0.38 -1.62 115.22 117.18 3fyg n HIS 167 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.87 3fyg n HIS 167 Cb 0.07 0.00 0.36 0.00 -0.00 0.00 0.00 29.99 30.42 3fyg n HIS 167 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3fyg h ILE 168 N 0.00 0.64 0.08 3.57 2.04 -1.37 0.47 117.51 122.94 3fyg h ILE 168 Ca 0.00 -0.23 -0.29 0.00 1.00 0.00 0.00 64.86 65.34 3fyg h ILE 168 Cb 0.00 -0.09 0.03 0.00 -0.74 0.00 0.00 36.82 36.02 3fyg h ILE 168 CO 0.00 0.12 -1.19 0.15 0.00 0.00 0.00 178.15 177.23 3fyg h PHE 169 N 0.67 1.03 -2.43 1.37 3.57 -1.54 -3.40 116.94 116.21 3fyg h PHE 169 Ca 0.60 -0.62 -0.59 0.00 3.53 0.00 0.00 57.97 60.88 3fyg h PHE 169 Cb 1.05 -0.09 -0.38 0.00 2.79 0.00 0.00 35.95 39.32 3fyg h PHE 169 CO -0.00 1.46 -0.94 -2.00 -2.23 0.00 0.00 178.31 174.60 3fyg s GLU 170 N -3.09 1.02 0.54 1.11 2.56 -0.21 -5.02 118.70 115.61 3fyg s GLU 170 Ca -0.10 -2.19 0.32 0.00 0.00 0.00 0.00 54.97 53.01 3fyg s GLU 170 Cb 0.06 -1.58 1.10 0.00 2.00 0.00 0.00 34.13 35.71 3fyg s GLU 170 CO 0.93 -1.37 1.28 -2.30 -0.56 0.00 0.00 175.26 173.23 3fyg n PRO 171 N 2.81 0.01 0.06 4.30 -0.02 0.15 -0.14 135.00 142.17 3fyg n PRO 171 Ca 0.28 0.96 0.11 0.00 -2.02 0.00 0.00 63.50 62.84 3fyg n PRO 171 Cb 0.46 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.60 3fyg n PRO 171 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3fyg n LYS 172 N -3.32 0.51 0.24 -0.52 2.85 -1.26 -4.43 118.16 112.23 3fyg n LYS 172 Ca 0.28 0.02 0.02 0.00 -1.05 0.00 0.00 58.31 57.59 3fyg n LYS 172 Cb 1.57 -1.69 0.12 0.00 -0.65 0.00 0.00 35.03 34.38 3fyg n LYS 172 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3fyg n LEU 174 N -2.18 0.84 0.03 0.00 4.32 -1.26 -4.64 117.00 114.10 3fyg n LEU 174 Ca -0.00 -0.72 0.07 0.00 -0.02 0.00 0.00 56.01 55.34 3fyg n LEU 174 Cb 0.76 0.00 0.49 0.00 -1.62 0.00 0.00 43.42 43.05 3fyg n LEU 174 CO 0.02 0.18 1.15 0.44 -1.22 0.00 0.00 177.39 177.96 3fyg h ASP 175 N 0.57 0.34 1.21 -1.43 3.32 -0.13 -1.66 116.42 118.65 3fyg h ASP 175 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fyg h ASP 175 Cb 0.20 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3fyg h ASP 175 CO 0.00 0.24 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 3fyg n ALA 176 N -2.50 2.16 -3.82 3.45 0.00 -1.26 -4.47 120.51 114.07 3fyg n ALA 176 Ca 0.04 -0.02 -0.28 0.00 0.00 0.00 0.00 53.44 53.18 3fyg n ALA 176 Cb 0.16 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.05 3fyg n ALA 176 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fyg n PHE 177 N -2.07 3.08 -0.26 0.00 3.72 -0.62 -4.95 117.46 116.37 3fyg n PHE 177 Ca 0.05 -4.25 0.12 0.00 -0.05 0.00 0.00 57.45 53.32 3fyg n PHE 177 Cb 0.37 -0.58 0.39 0.00 -0.94 0.00 0.00 39.48 38.72 3fyg n PHE 177 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3fyg h PRO 178 N 5.26 0.65 -0.41 -1.08 0.11 -1.78 0.12 132.00 134.87 3fyg h PRO 178 Ca 0.16 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.26 3fyg h PRO 178 Cb 0.75 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 3fyg h PRO 178 CO 0.71 0.43 0.27 -2.95 -0.21 0.00 0.00 178.00 176.26 3fyg h ASN 179 N 0.67 0.39 0.73 -2.05 -1.07 -1.92 0.38 115.58 112.72 3fyg h ASN 179 Ca 0.44 -0.01 -0.12 0.00 0.07 0.00 0.00 56.30 56.68 3fyg h ASN 179 Cb 0.71 -0.09 -0.02 0.00 -2.07 0.00 0.00 38.32 36.85 3fyg h ASN 179 CO -0.19 0.27 -0.55 -0.07 0.07 0.00 0.00 177.43 176.96 3fyg h LEU 180 N 0.46 0.00 0.07 6.14 3.38 -1.33 -1.96 115.31 122.07 3fyg h LEU 180 Ca 0.17 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.88 3fyg h LEU 180 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3fyg h LEU 180 CO -0.04 0.55 -1.19 0.11 0.09 0.00 0.00 178.44 177.96 3fyg h LYS 181 N 0.00 0.15 -0.58 1.13 1.57 -1.23 -2.80 116.57 114.81 3fyg h LYS 181 Ca -0.01 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 3fyg h LYS 181 Cb 1.07 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3fyg h LYS 181 CO 0.07 1.10 0.02 -0.44 -0.57 0.00 0.00 179.45 179.62 3fyg h ASP 182 N 0.04 0.97 0.12 0.86 3.32 -0.61 -2.25 116.42 118.87 3fyg h ASP 182 Ca -0.10 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 3fyg h ASP 182 Cb 1.90 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 41.19 3fyg h ASP 182 CO 0.17 1.01 -0.09 0.15 -1.72 0.00 0.00 179.24 178.76 3fyg h PHE 183 N 0.92 -0.23 -0.57 4.55 3.57 -1.40 0.25 116.94 124.03 3fyg h PHE 183 Ca 0.17 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.78 3fyg h PHE 183 Cb 0.51 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.25 3fyg h PHE 183 CO 0.03 -0.14 0.09 -0.07 -2.23 0.00 0.00 178.31 175.99 3fyg h LEU 184 N -0.22 -0.07 -0.89 0.59 3.38 -1.24 0.39 115.31 117.25 3fyg h LEU 184 Ca -0.01 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3fyg h LEU 184 Cb 0.19 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3fyg h LEU 184 CO -0.00 -0.02 0.11 0.00 0.09 0.00 0.00 178.44 178.61 3fyg h ALA 185 N 1.48 1.09 -0.28 1.53 0.00 -1.18 -0.18 119.26 121.73 3fyg h ALA 185 Ca 0.30 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3fyg h ALA 185 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3fyg h ALA 185 CO -0.41 0.59 -0.45 -0.09 0.00 0.00 0.00 179.25 178.89 3fyg h ARG 186 N 0.88 0.71 -0.15 0.00 2.43 0.21 -0.94 114.38 117.52 3fyg h ARG 186 Ca 0.18 -0.40 -0.16 0.00 -0.81 0.00 0.00 59.98 58.80 3fyg h ARG 186 Cb 0.37 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3fyg h ARG 186 CO 0.01 1.01 -0.52 0.35 -1.51 0.00 0.00 179.97 179.31 3fyg h PHE 187 N 0.57 0.81 -0.03 2.20 3.57 -0.17 -2.69 116.94 121.20 3fyg h PHE 187 Ca 0.04 -0.33 0.01 0.00 3.53 0.00 0.00 57.97 61.21 3fyg h PHE 187 Cb 1.00 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 3fyg h PHE 187 CO 0.05 1.12 0.03 0.93 -2.23 0.00 0.00 178.31 178.20 3fyg h GLU 188 N 0.27 0.00 -0.01 1.11 5.08 -0.99 -1.98 114.58 118.06 3fyg h GLU 188 Ca -0.02 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 3fyg h GLU 188 Cb 1.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 3fyg h GLU 188 CO 0.11 0.00 -0.73 0.78 -1.00 0.00 0.00 179.01 178.17 3fyg h GLY 189 N 0.00 0.08 -6.14 -3.84 0.00 -0.84 -3.27 103.07 89.07 3fyg h GLY 189 Ca 0.01 -0.12 -0.77 0.00 0.00 0.00 0.00 47.33 46.45 3fyg h GLY 189 CO -0.00 0.11 0.46 1.04 0.00 0.00 0.00 176.54 178.14 3fyg n LEU 190 N -3.71 1.13 -0.26 3.11 4.77 -0.75 -4.79 117.00 116.50 3fyg n LEU 190 Ca -0.02 1.14 0.06 0.00 -0.03 0.00 0.00 56.01 57.17 3fyg n LEU 190 Cb 0.71 -1.02 0.18 0.00 -2.33 0.00 0.00 43.42 40.95 3fyg n LEU 190 CO 0.44 -1.18 0.86 0.50 -1.33 0.00 0.00 177.39 176.68 3fyg h LYS 191 N 4.62 0.14 0.00 3.23 3.64 -1.90 -2.03 116.57 124.27 3fyg h LYS 191 Ca -0.48 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3fyg h LYS 191 Cb 1.37 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3fyg h LYS 191 CO 0.81 0.09 -0.00 1.57 -2.27 0.00 0.00 179.45 179.65 3fyg h LYS 192 N 0.14 0.00 -0.03 1.90 2.10 -1.93 -3.31 116.57 115.44 3fyg h LYS 192 Ca 0.43 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.07 3fyg h LYS 192 Cb 0.78 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.10 3fyg h LYS 192 CO -0.64 0.00 -0.04 0.82 -2.00 0.00 0.00 179.45 177.59 3fyg h ILE 193 N 0.00 1.39 -0.61 0.07 1.08 -1.67 -3.32 117.51 114.45 3fyg h ILE 193 Ca -0.00 -1.22 0.12 0.00 -0.39 0.00 0.00 64.86 63.37 3fyg h ILE 193 Cb 0.61 2.14 -0.09 0.00 -3.07 0.00 0.00 36.82 36.41 3fyg h ILE 193 CO 0.00 0.33 0.14 0.28 -0.69 0.00 0.00 178.15 178.21 3fyg h SER 194 N -0.39 0.03 0.00 1.72 0.02 -1.60 0.47 113.55 113.80 3fyg h SER 194 Ca 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3fyg h SER 194 Cb 0.55 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.24 3fyg h SER 194 CO 0.01 0.02 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 3fyg n ALA 195 N -2.59 1.61 0.00 3.77 0.00 -1.25 -1.54 120.51 120.51 3fyg n ALA 195 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3fyg n ALA 195 Cb 0.33 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3fyg n ALA 195 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3fyg n MET 197 N 0.42 0.00 -0.09 0.00 2.81 0.16 -1.43 117.12 118.99 3fyg n MET 197 Ca 0.00 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 3fyg n MET 197 Cb 0.11 0.00 0.28 0.00 -0.71 0.00 0.00 33.22 32.90 3fyg n MET 197 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3fyg n LYS 198 N 0.00 2.12 -2.44 0.03 5.02 -0.59 -4.92 118.16 117.38 3fyg n LYS 198 Ca 0.00 -1.67 -0.35 0.00 -2.02 0.00 0.00 58.31 54.27 3fyg n LYS 198 Cb 0.00 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.53 3fyg n LYS 198 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3fyg s SER 199 N -1.68 6.17 0.18 4.39 1.04 -0.51 -4.97 113.70 118.32 3fyg s SER 199 Ca 0.34 2.04 -0.11 0.00 0.48 0.00 0.00 55.95 58.70 3fyg s SER 199 Cb 0.20 -2.57 0.10 0.00 0.10 0.00 0.00 66.02 63.85 3fyg s SER 199 CO 0.30 -0.90 1.76 0.77 0.98 0.00 0.00 173.24 176.15 3fyg h SER 200 N 1.56 0.86 0.00 7.02 4.64 -1.94 -3.43 113.55 122.26 3fyg h SER 200 Ca -0.50 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 3fyg h SER 200 Cb 1.23 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3fyg h SER 200 CO 0.59 0.77 0.00 -2.11 -0.87 0.00 0.00 176.83 175.21 3fyg n ARG 201 N -4.46 0.00 0.00 4.77 1.85 -1.26 -5.10 116.66 112.46 3fyg n ARG 201 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 3fyg n ARG 201 Cb 0.14 -1.30 0.00 0.00 -1.05 0.00 0.00 32.46 30.26 3fyg n ARG 201 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3fyg n LEU 203 N 1.09 0.00 -0.37 2.89 4.77 -1.26 -5.19 117.00 118.94 3fyg n LEU 203 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 3fyg n LEU 203 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3fyg n LEU 203 CO 0.00 0.00 0.52 -1.54 -1.33 0.00 0.00 177.39 175.04 3fyg n SER 204 N 0.00 -0.70 -4.87 -1.43 3.41 -1.26 -4.55 113.62 104.22 3fyg n SER 204 Ca 0.00 1.63 -0.21 0.00 -0.26 0.00 0.00 58.87 60.03 3fyg n SER 204 Cb 0.00 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.59 3fyg n SER 204 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3fyg s THR 205 N -5.77 2.88 -0.13 6.66 -1.32 -1.26 -4.72 115.64 111.98 3fyg s THR 205 Ca -0.12 -1.35 0.01 0.00 -1.21 0.00 0.00 61.69 59.02 3fyg s THR 205 Cb 0.17 -3.04 -0.00 0.00 -1.51 0.00 0.00 72.50 68.11 3fyg s THR 205 CO 0.64 -0.05 -0.17 -2.16 -2.21 0.00 0.00 174.62 170.67 3fyg s PRO 206 N -4.09 3.21 0.48 7.08 0.04 -1.26 -4.50 135.00 135.95 3fyg s PRO 206 Ca 0.46 -0.77 0.35 0.00 0.04 0.00 0.00 61.00 61.08 3fyg s PRO 206 Cb -0.04 -2.54 1.48 0.00 0.04 0.00 0.00 34.50 33.45 3fyg s PRO 206 CO 0.27 0.11 1.66 0.82 0.04 0.00 0.00 177.00 179.90 3fyg h ILE 207 N 5.62 0.19 -3.22 0.56 2.04 -1.89 -0.40 117.51 120.41 3fyg h ILE 207 Ca -0.27 -0.03 -0.64 0.00 1.00 0.00 0.00 64.86 64.91 3fyg h ILE 207 Cb 1.21 0.10 -0.10 0.00 -0.74 0.00 0.00 36.82 37.29 3fyg h ILE 207 CO 0.54 0.02 -0.62 0.72 0.00 0.00 0.00 178.15 178.81 3fyg s PHE 208 N -5.16 3.14 0.00 1.37 -0.12 -1.26 -2.20 117.98 113.75 3fyg s PHE 208 Ca -0.07 0.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.87 3fyg s PHE 208 Cb 0.27 -1.60 0.00 0.00 -0.63 0.00 0.00 43.02 41.06 3fyg s PHE 208 CO 0.83 0.51 0.00 -1.13 -0.05 0.00 0.00 175.22 175.39 3fyg n SER 209 N 0.50 0.00 0.02 1.98 3.41 -1.26 -4.67 113.62 113.60 3fyg n SER 209 Ca -0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.40 3fyg n SER 209 Cb 0.52 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 3fyg n SER 209 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3fyg h LYS 210 N 0.00 0.03 -0.39 4.33 1.57 -1.82 -3.08 116.57 117.20 3fyg h LYS 210 Ca 0.00 -0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 3fyg h LYS 210 Cb 0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3fyg h LYS 210 CO 0.00 0.17 0.83 -0.07 -0.57 0.00 0.00 179.45 179.81 3fyg h LEU 211 N -0.12 0.00 -9.69 2.94 4.07 -1.91 -3.40 115.31 107.20 3fyg h LEU 211 Ca 0.01 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.39 3fyg h LEU 211 Cb 0.15 0.00 0.16 0.00 1.08 0.00 0.00 40.66 42.05 3fyg h LEU 211 CO -0.00 0.00 -0.01 0.00 -1.08 0.00 0.00 178.44 177.35 3fyg n ALA 212 N -1.96 -0.20 -0.08 1.53 0.00 -1.17 -4.87 120.51 113.76 3fyg n ALA 212 Ca 0.08 0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 3fyg n ALA 212 Cb 0.97 -2.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 3fyg n ALA 212 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3fyg h GLN 213 N 0.68 0.00 -4.55 0.00 1.08 0.30 -3.37 115.11 109.26 3fyg h GLN 213 Ca -0.47 0.00 -0.71 0.00 -1.45 0.00 0.00 58.65 56.02 3fyg h GLN 213 Cb 1.37 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 28.55 3fyg h GLN 213 CO 0.51 0.44 -0.49 -0.46 -0.95 0.00 0.00 178.83 177.88 3fyg s TRP 214 N -2.24 3.26 0.00 2.96 -0.00 -1.23 -4.60 118.94 117.09 3fyg s TRP 214 Ca -0.19 -1.04 0.00 0.00 -0.00 0.00 0.00 56.10 54.86 3fyg s TRP 214 Cb 0.03 -2.56 0.00 0.00 -0.00 0.00 0.00 33.47 30.95 3fyg s TRP 214 CO 0.37 -0.69 0.00 0.45 -0.00 0.00 0.00 176.95 177.08 3fyg n SER 215 N 5.00 -1.76 -1.96 5.86 2.88 -1.26 -4.96 113.62 117.42 3fyg n SER 215 Ca -0.12 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.23 3fyg n SER 215 Cb 0.45 -0.88 0.12 0.00 -0.75 0.00 0.00 64.21 63.16 3fyg n SER 215 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3fyg n ASN 216 N -0.75 4.22 0.00 -3.46 2.04 -1.21 -4.21 115.26 111.89 3fyg n ASN 216 Ca 0.00 -3.25 0.00 0.00 -0.44 0.00 0.00 54.58 50.89 3fyg n ASN 216 Cb 0.32 -0.80 0.00 0.00 -2.53 0.00 0.00 39.78 36.76 3fyg n ASN 216 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11