#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgx h THR 10 N 0.00 0.52 -0.13 5.53 2.02 -2.06 -2.27 112.91 116.53 3fgx h THR 10 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 3fgx h THR 10 Cb 0.00 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 66.90 3fgx h THR 10 CO 0.00 0.00 -0.49 -0.78 0.37 0.00 0.00 175.52 174.62 3fgx h ASP 11 N 0.00 -1.57 -0.29 4.18 3.58 -2.06 -1.55 116.42 118.72 3fgx h ASP 11 Ca 0.41 0.19 -0.04 0.00 0.42 0.00 0.00 57.03 58.00 3fgx h ASP 11 Cb 1.67 0.61 -0.01 0.00 1.72 0.00 0.00 39.33 43.32 3fgx h ASP 11 CO -0.00 -0.44 0.03 -0.33 -2.88 0.00 0.00 179.24 175.62 3fgx h GLU 12 N -0.52 0.49 -0.86 0.28 5.08 -1.86 -3.16 114.58 114.02 3fgx h GLU 12 Ca 0.03 -0.14 0.13 0.00 -1.00 0.00 0.00 59.36 58.38 3fgx h GLU 12 Cb 0.61 -0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.67 3fgx h GLU 12 CO -0.40 0.61 -0.42 -0.07 -1.00 0.00 0.00 179.01 177.74 3fgx h LEU 13 N 0.29 -1.50 0.35 1.33 3.38 -1.22 0.54 115.31 118.47 3fgx h LEU 13 Ca 0.08 0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 3fgx h LEU 13 Cb 0.38 0.74 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 3fgx h LEU 13 CO 0.01 -0.29 -0.41 0.11 0.09 0.00 0.00 178.44 177.95 3fgx h LYS 14 N -0.06 -0.76 -0.29 1.13 1.57 -1.29 -1.07 116.57 115.79 3fgx h LYS 14 Ca 0.28 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.14 3fgx h LYS 14 Cb 0.56 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 3fgx h LYS 14 CO -0.88 -0.51 -0.22 1.96 -0.57 0.00 0.00 179.45 179.22 3fgx h GLN 15 N -0.79 -0.07 -0.34 3.15 4.20 -1.18 0.47 115.11 120.54 3fgx h GLN 15 Ca -0.02 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 3fgx h GLN 15 Cb 0.73 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 3fgx h GLN 15 CO -0.10 -0.04 -0.16 -0.22 -0.67 0.00 0.00 178.83 177.63 3fgx h LYS 16 N -0.07 0.61 -0.00 1.46 3.64 -0.69 -3.05 116.57 118.46 3fgx h LYS 16 Ca 0.05 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3fgx h LYS 16 Cb 0.19 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3fgx h LYS 16 CO -0.31 0.75 -0.38 0.66 -2.27 0.00 0.00 179.45 177.91 3fgx n TYR 17 N -4.16 0.00 0.00 1.91 4.02 -0.43 -5.07 117.16 113.44 3fgx n TYR 17 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3fgx n TYR 17 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 3fgx n TYR 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fgx n GLY 18 N 1.11 1.61 2.91 2.72 0.00 0.16 -4.78 105.19 108.92 3fgx n GLY 18 Ca 0.03 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 3fgx n GLY 18 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fgx s ARG 19 N 0.00 1.34 0.19 1.61 1.70 -1.26 -4.72 118.95 117.81 3fgx s ARG 19 Ca 0.00 -1.25 0.07 0.00 -0.47 0.00 0.00 55.73 54.08 3fgx s ARG 19 Cb 0.00 -2.60 -0.04 0.00 -0.57 0.00 0.00 34.95 31.74 3fgx s ARG 19 CO 0.00 -0.79 0.06 0.08 -1.08 0.00 0.00 175.30 173.57 3fgx s VAL 20 N 1.32 3.98 -0.03 4.99 1.01 -1.26 -3.79 120.40 126.62 3fgx s VAL 20 Ca 0.03 -1.40 0.02 0.00 0.00 0.00 0.00 61.98 60.63 3fgx s VAL 20 Cb -0.18 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.16 3fgx s VAL 20 CO -0.12 -0.18 -0.07 -0.31 0.00 0.00 0.00 175.10 174.43 3fgx s TYR 21 N -1.86 0.79 -0.04 5.22 1.51 0.24 -4.89 117.35 118.32 3fgx s TYR 21 Ca 0.30 -0.20 -0.04 0.00 -1.01 0.00 0.00 57.07 56.12 3fgx s TYR 21 Cb -0.09 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.12 3fgx s TYR 21 CO 0.21 -0.11 0.18 -2.00 -1.11 0.00 0.00 175.55 172.72 3fgx s GLU 22 N 0.35 3.45 -0.13 -0.62 -6.30 -1.26 0.14 118.70 114.32 3fgx s GLU 22 Ca -0.05 -0.26 -0.04 0.00 -2.50 0.00 0.00 54.97 52.13 3fgx s GLU 22 Cb -0.09 -3.12 0.05 0.00 0.00 0.00 0.00 34.13 30.97 3fgx s GLU 22 CO 0.00 0.70 0.08 0.42 0.02 0.00 0.00 175.26 176.48 3fgx s ILE 23 N -1.24 -0.06 0.36 -3.70 1.01 0.62 -4.97 121.20 113.21 3fgx s ILE 23 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 60.65 60.66 3fgx s ILE 23 Cb -0.12 -0.47 -0.10 0.00 0.01 0.00 0.00 42.46 41.78 3fgx s ILE 23 CO 0.15 -0.13 0.93 -0.13 0.00 0.00 0.00 174.94 175.76 3fgx s ARG 24 N 2.13 4.43 0.00 2.79 0.52 -1.26 -1.50 118.95 126.06 3fgx s ARG 24 Ca 0.03 1.22 -0.01 0.00 -0.52 0.00 0.00 55.73 56.45 3fgx s ARG 24 Cb -0.15 -2.57 -0.01 0.00 0.52 0.00 0.00 34.95 32.74 3fgx s ARG 24 CO -0.07 0.17 0.00 0.42 0.02 0.00 0.00 175.30 175.85 3fgx s ILE 25 N -1.82 0.04 -0.10 1.52 1.01 0.25 -4.97 121.20 117.13 3fgx s ILE 25 Ca 0.54 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.81 3fgx s ILE 25 Cb -0.15 -0.12 0.05 0.00 0.01 0.00 0.00 42.46 42.25 3fgx s ILE 25 CO 0.20 -0.18 0.24 -1.61 0.00 0.00 0.00 174.94 173.59 3fgx s GLU 26 N -0.53 0.20 0.00 2.79 8.01 -1.26 -0.52 118.70 127.39 3fgx s GLU 26 Ca -0.06 0.52 0.00 0.00 0.01 0.00 0.00 54.97 55.44 3fgx s GLU 26 Cb -0.04 -0.13 0.00 0.00 -4.31 0.00 0.00 34.13 29.66 3fgx s GLU 26 CO -0.00 -0.17 0.00 0.41 0.01 0.00 0.00 175.26 175.51 3fgx n GLY 27 N 4.25 0.03 0.00 -1.39 0.00 -1.26 -5.04 105.19 101.78 3fgx n GLY 27 Ca -0.25 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3fgx n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgx n ALA 36 N -1.22 1.71 -2.06 4.61 0.00 -1.26 -5.11 120.51 117.18 3fgx n ALA 36 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3fgx n ALA 36 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3fgx n ALA 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3fgx s GLU 37 N 0.00 4.45 -0.01 0.00 2.12 -1.26 -5.01 118.70 118.99 3fgx s GLU 37 Ca 0.00 1.03 0.02 0.00 0.36 0.00 0.00 54.97 56.39 3fgx s GLU 37 Cb 0.00 -3.20 -0.01 0.00 0.26 0.00 0.00 34.13 31.18 3fgx s GLU 37 CO 0.00 0.56 -0.08 -0.06 -0.54 0.00 0.00 175.26 175.14 3fgx s PHE 38 N -1.19 0.72 -0.16 5.30 0.40 0.32 -5.00 117.98 118.37 3fgx s PHE 38 Ca 0.35 -0.14 -0.02 0.00 -0.60 0.00 0.00 56.93 56.53 3fgx s PHE 38 Cb -0.21 -0.47 0.05 0.00 0.51 0.00 0.00 43.02 42.90 3fgx s PHE 38 CO 0.24 -0.01 0.01 0.08 0.70 0.00 0.00 175.22 176.23 3fgx s VAL 39 N -0.17 0.63 0.30 -0.44 1.01 -1.26 0.87 120.40 121.33 3fgx s VAL 39 Ca 0.03 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 61.67 3fgx s VAL 39 Cb -0.03 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 3fgx s VAL 39 CO -0.00 -0.03 -0.01 -0.36 0.00 0.00 0.00 175.10 174.69 3fgx s PHE 40 N 1.83 2.59 0.05 5.22 0.40 -0.56 -4.94 117.98 122.57 3fgx s PHE 40 Ca 0.01 -0.33 0.05 0.00 -0.60 0.00 0.00 56.93 56.06 3fgx s PHE 40 Cb -0.16 -1.31 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 3fgx s PHE 40 CO -0.07 0.56 -0.13 0.71 0.70 0.00 0.00 175.22 176.98 3fgx s TYR 41 N -2.43 1.15 0.00 0.36 1.51 -1.25 -0.28 117.35 116.43 3fgx s TYR 41 Ca 0.33 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 56.00 3fgx s TYR 41 Cb -0.04 -0.67 -0.01 0.00 -0.11 0.00 0.00 41.96 41.13 3fgx s TYR 41 CO 0.19 0.03 -0.01 -0.06 -1.11 0.00 0.00 175.55 174.59 3fgx s PHE 42 N -1.02 0.12 0.36 2.71 0.40 0.12 -2.33 117.98 118.35 3fgx s PHE 42 Ca -0.01 -0.13 -0.28 0.00 -0.60 0.00 0.00 56.93 55.92 3fgx s PHE 42 Cb -0.09 -0.08 -0.10 0.00 0.51 0.00 0.00 43.02 43.26 3fgx s PHE 42 CO 0.01 -0.04 1.36 0.99 0.70 0.00 0.00 175.22 178.24 3fgx s THR 43 N -0.33 2.50 0.06 0.64 2.01 0.26 -0.59 115.64 120.19 3fgx s THR 43 Ca -0.03 0.49 -0.36 0.00 0.31 0.00 0.00 61.69 62.09 3fgx s THR 43 Cb -0.02 -3.31 -0.16 0.00 0.01 0.00 0.00 72.50 69.02 3fgx s THR 43 CO -0.00 0.11 1.45 -1.14 -0.69 0.00 0.00 174.62 174.34 3fgx n ARG 44 N 0.55 1.40 -1.60 4.92 3.00 -1.25 -4.84 116.66 118.84 3fgx n ARG 44 Ca 0.01 0.51 -0.34 0.00 -0.00 0.00 0.00 57.85 58.03 3fgx n ARG 44 Cb 0.41 -2.19 0.07 0.00 0.00 0.00 0.00 32.46 30.76 3fgx n ARG 44 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3fgx s PRO 45 N 0.99 2.45 0.15 -0.14 0.02 -1.26 -5.04 135.00 132.18 3fgx s PRO 45 Ca 0.85 1.61 0.09 0.00 0.02 0.00 0.00 61.00 63.56 3fgx s PRO 45 Cb -0.90 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 31.70 3fgx s PRO 45 CO 0.47 -1.56 -0.13 0.21 -0.33 0.00 0.00 177.00 175.66 3fgx s LYS 46 N -3.95 1.97 0.34 5.54 2.36 -1.26 -5.01 119.74 119.73 3fgx s LYS 46 Ca 0.71 -1.22 0.15 0.00 -2.55 0.00 0.00 55.97 53.06 3fgx s LYS 46 Cb -0.25 -2.15 1.14 0.00 -1.05 0.00 0.00 37.83 35.51 3fgx s LYS 46 CO 0.43 0.46 1.51 0.28 1.55 0.00 0.00 175.35 179.58 3fgx n VAL 47 N 0.35 -0.40 0.02 4.02 0.31 -1.26 0.95 118.33 122.32 3fgx n VAL 47 Ca -0.12 1.99 -0.10 0.00 -0.01 0.00 0.00 64.34 66.09 3fgx n VAL 47 Cb 0.54 -3.14 -0.05 0.00 -0.91 0.00 0.00 33.84 30.28 3fgx n VAL 47 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3fgx h SER 48 N 0.00 -0.23 -0.93 4.52 0.02 -2.00 0.12 113.55 115.04 3fgx h SER 48 Ca 0.75 0.05 0.18 0.00 -0.84 0.00 0.00 61.79 61.93 3fgx h SER 48 Cb 1.89 0.11 -0.08 0.00 0.14 0.00 0.00 62.40 64.47 3fgx h SER 48 CO -0.78 -0.11 0.60 0.44 -1.14 0.00 0.00 176.83 175.83 3fgx h ASP 49 N -0.11 0.59 0.00 3.07 3.32 0.19 -2.36 116.42 121.13 3fgx h ASP 49 Ca 0.05 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3fgx h ASP 49 Cb 0.18 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3fgx h ASP 49 CO -0.12 0.25 -0.00 0.40 -1.72 0.00 0.00 179.24 178.05 3fgx h ILE 50 N 0.60 1.25 -0.64 0.35 2.04 0.02 0.73 117.51 121.85 3fgx h ILE 50 Ca 0.49 -1.94 0.13 0.00 1.00 0.00 0.00 64.86 64.54 3fgx h ILE 50 Cb 0.95 2.36 -0.12 0.00 -0.74 0.00 0.00 36.82 39.26 3fgx h ILE 50 CO -0.24 0.42 -0.21 0.77 0.00 0.00 0.00 178.15 178.89 3fgx h SER 51 N -1.00 -0.77 -0.38 1.72 4.64 -0.89 0.70 113.55 117.57 3fgx h SER 51 Ca -0.00 0.21 0.07 0.00 -0.47 0.00 0.00 61.79 61.60 3fgx h SER 51 Cb 0.69 0.46 -0.06 0.00 -0.31 0.00 0.00 62.40 63.18 3fgx h SER 51 CO 0.00 -0.25 -0.04 -0.09 -0.87 0.00 0.00 176.83 175.59 3fgx h ARG 52 N -0.05 0.06 -0.90 4.77 2.43 -1.45 0.18 114.38 119.42 3fgx h ARG 52 Ca 0.30 -0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.62 3fgx h ARG 52 Cb 0.51 -0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.95 3fgx h ARG 52 CO -0.68 0.04 0.50 0.35 -1.51 0.00 0.00 179.97 178.67 3fgx h PHE 53 N 0.06 0.89 0.03 2.20 3.57 0.32 -2.53 116.94 121.48 3fgx h PHE 53 Ca 0.18 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.50 3fgx h PHE 53 Cb 0.27 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3fgx h PHE 53 CO -0.29 0.23 -0.97 1.15 -2.23 0.00 0.00 178.31 176.20 3fgx h THR 54 N 0.70 1.54 0.14 4.41 2.02 0.14 0.16 112.91 122.03 3fgx h THR 54 Ca 0.50 -2.87 -0.01 0.00 0.77 0.00 0.00 66.41 64.80 3fgx h THR 54 Cb 0.70 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 3fgx h THR 54 CO -0.36 0.83 -0.07 0.11 0.37 0.00 0.00 175.52 176.41 3fgx h LYS 55 N 0.07 -0.18 -0.19 6.66 1.57 -0.49 -3.26 116.57 120.75 3fgx h LYS 55 Ca -0.05 0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 3fgx h LYS 55 Cb 1.64 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.99 3fgx h LYS 55 CO 0.15 -0.03 -0.59 0.93 -0.57 0.00 0.00 179.45 179.33 3fgx h GLU 56 N -0.28 0.63 -1.43 3.15 5.08 -1.37 -3.27 114.58 117.09 3fgx h GLU 56 Ca -0.02 -0.42 0.44 0.00 -1.00 0.00 0.00 59.36 58.36 3fgx h GLU 56 Cb 0.22 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.43 3fgx h GLU 56 CO 0.03 1.04 0.97 1.25 -1.00 0.00 0.00 179.01 181.29 3fgx h LEU 57 N 0.47 0.17 0.02 1.33 5.85 -0.71 0.43 115.31 122.87 3fgx h LEU 57 Ca 0.00 0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.64 3fgx h LEU 57 Cb 1.16 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 3fgx h LEU 57 CO 0.11 -0.09 -0.87 0.78 -0.34 0.00 0.00 178.44 178.04 3fgx h ASN 58 N 0.08 0.05 0.44 1.25 4.21 -1.71 -3.25 115.58 116.65 3fgx h ASN 58 Ca 0.79 -0.72 -0.02 0.00 1.21 0.00 0.00 56.30 57.56 3fgx h ASN 58 Cb 2.70 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 39.89 3fgx h ASN 58 CO -0.25 1.35 -0.21 -1.28 -1.29 0.00 0.00 177.43 175.75 3fgx h SER 59 N -0.90 -0.50 -2.61 5.81 0.87 -0.58 -3.40 113.55 112.24 3fgx h SER 59 Ca -0.23 0.02 -0.60 0.00 -1.23 0.00 0.00 61.79 59.74 3fgx h SER 59 Cb 1.27 0.13 -0.41 0.00 -0.44 0.00 0.00 62.40 62.94 3fgx h SER 59 CO -0.11 -0.13 -0.69 0.29 -0.53 0.00 0.00 176.83 175.66 3fgx n LYS 60 N -4.80 1.67 0.25 2.24 5.02 0.11 -4.96 118.16 117.70 3fgx n LYS 60 Ca -0.07 -4.22 0.18 0.00 -2.02 0.00 0.00 58.31 52.18 3fgx n LYS 60 Cb 0.23 -2.08 0.90 0.00 -0.02 0.00 0.00 35.03 34.06 3fgx n LYS 60 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3fgx h PRO 61 N 4.94 0.00 -0.34 1.97 0.13 -1.50 0.32 132.00 137.52 3fgx h PRO 61 Ca 0.18 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.36 3fgx h PRO 61 Cb 0.76 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.81 3fgx h PRO 61 CO 0.67 0.00 -0.49 0.38 -0.23 0.00 0.00 178.00 178.34 3fgx h ASP 62 N 0.00 -1.60 0.79 1.44 3.04 -1.89 -2.98 116.42 115.21 3fgx h ASP 62 Ca 0.06 0.22 -0.20 0.00 -3.24 0.00 0.00 57.03 53.86 3fgx h ASP 62 Cb 0.42 0.67 -0.03 0.00 -1.04 0.00 0.00 39.33 39.35 3fgx h ASP 62 CO -0.00 -0.41 -1.32 0.24 -2.04 0.00 0.00 179.24 175.71 3fgx h MET 63 N -0.41 0.00 -1.00 4.15 2.86 -1.53 -2.30 114.93 116.70 3fgx h MET 63 Ca 0.10 0.00 0.17 0.00 -2.06 0.00 0.00 59.70 57.90 3fgx h MET 63 Cb 0.61 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.10 3fgx h MET 63 CO -0.55 0.48 -0.35 0.00 1.06 0.00 0.00 176.91 177.56 3fgx h ALA 64 N 1.24 0.32 0.04 6.32 0.00 -0.49 -1.06 119.26 125.63 3fgx h ALA 64 Ca -0.16 0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3fgx h ALA 64 Cb 1.72 0.93 0.01 0.00 0.00 0.00 0.00 17.79 20.45 3fgx h ALA 64 CO 0.07 -0.55 -0.61 0.52 0.00 0.00 0.00 179.25 178.68 3fgx h MET 65 N -0.00 0.35 0.00 0.00 2.86 -1.39 -2.75 114.93 114.01 3fgx h MET 65 Ca 0.39 -0.43 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3fgx h MET 65 Cb 0.64 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 3fgx h MET 65 CO -1.00 1.12 -0.17 -0.22 1.06 0.00 0.00 176.91 177.70 3fgx h LYS 66 N -0.23 -0.26 -0.03 1.72 3.64 -1.30 -2.56 116.57 117.55 3fgx h LYS 66 Ca -0.09 0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.15 3fgx h LYS 66 Cb 1.36 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 3fgx h LYS 66 CO 0.12 -0.18 -0.72 -0.91 -2.27 0.00 0.00 179.45 175.49 3fgx h ASN 67 N -0.27 0.23 0.47 4.20 2.35 -1.26 -0.23 115.58 121.07 3fgx h ASN 67 Ca 0.05 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 3fgx h ASN 67 Cb 0.34 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3fgx h ASN 67 CO -0.16 0.88 -0.23 0.25 -1.65 0.00 0.00 177.43 176.52 3fgx h LEU 68 N 0.13 -0.54 -0.86 1.61 5.85 -1.50 -1.19 115.31 118.81 3fgx h LEU 68 Ca -0.02 0.02 0.21 0.00 0.84 0.00 0.00 57.88 58.93 3fgx h LEU 68 Cb 1.28 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 42.32 3fgx h LEU 68 CO 0.11 -0.38 0.28 0.74 -0.34 0.00 0.00 178.44 178.85 3fgx h THR 69 N -0.63 0.41 0.00 1.05 2.02 -1.29 0.37 112.91 114.85 3fgx h THR 69 Ca -0.06 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 3fgx h THR 69 Cb 0.49 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3fgx h THR 69 CO 0.11 0.05 -0.12 -0.26 0.37 0.00 0.00 175.52 175.67 3fgx h PHE 70 N 0.29 0.00 -0.43 3.16 0.04 -0.99 -1.34 116.94 117.67 3fgx h PHE 70 Ca 0.53 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.30 3fgx h PHE 70 Cb 1.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.17 3fgx h PHE 70 CO -0.22 0.12 0.00 -1.13 -0.60 0.00 0.00 178.31 176.48 3fgx n SER 71 N -3.20 2.81 0.00 2.17 3.41 0.13 -4.09 113.62 114.85 3fgx n SER 71 Ca 0.01 -2.15 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 3fgx n SER 71 Cb 0.44 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3fgx n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fgx n ILE 73 N -0.80 0.36 -1.68 0.00 0.13 -0.54 -0.57 119.36 116.26 3fgx n ILE 73 Ca 0.00 -0.09 -0.42 0.00 -1.10 0.00 0.00 62.75 61.14 3fgx n ILE 73 Cb 0.03 -1.14 -0.03 0.00 -0.84 0.00 0.00 39.64 37.66 3fgx n ILE 73 CO 0.00 0.00 0.00 1.33 2.80 0.00 0.00 176.55 180.68 3fgx n VAL 74 N 2.44 0.46 0.07 9.51 0.24 -0.99 -4.80 118.33 125.27 3fgx n VAL 74 Ca 0.16 -0.08 0.21 0.00 -2.04 0.00 0.00 64.34 62.59 3fgx n VAL 74 Cb 0.25 -2.18 0.73 0.00 -1.47 0.00 0.00 33.84 31.17 3fgx n VAL 74 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3fgx h PRO 75 N 9.06 0.00 -0.14 7.34 0.13 -1.93 2.42 132.00 148.88 3fgx h PRO 75 Ca -0.47 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.70 3fgx h PRO 75 Cb 1.23 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 3fgx h PRO 75 CO 0.95 0.00 -0.40 1.49 -0.23 0.00 0.00 178.00 179.81 3fgx h GLU 76 N 0.00 -0.45 -0.05 0.86 4.57 -1.99 -2.52 114.58 115.00 3fgx h GLU 76 Ca 0.21 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3fgx h GLU 76 Cb 1.19 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 3fgx h GLU 76 CO -0.00 -0.30 0.00 0.94 -1.18 0.00 0.00 179.01 178.47 3fgx n GLN 77 N -5.43 1.16 0.30 1.92 7.27 0.81 -4.34 117.38 119.07 3fgx n GLN 77 Ca -0.04 -0.25 0.18 0.00 0.07 0.00 0.00 57.00 56.96 3fgx n GLN 77 Cb 0.35 -1.23 0.91 0.00 2.41 0.00 0.00 30.24 32.69 3fgx n GLN 77 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 3fgx h GLU 78 N 0.46 0.00 0.00 3.69 4.81 -1.17 -3.04 114.58 119.32 3fgx h GLU 78 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3fgx h GLU 78 Cb 0.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3fgx h GLU 78 CO 0.00 0.04 -0.47 1.49 -0.73 0.00 0.00 179.01 179.34 3fgx h GLU 79 N 0.00 0.00 -1.14 1.92 4.57 -1.82 -2.66 114.58 115.45 3fgx h GLU 79 Ca -0.00 0.00 0.43 0.00 -1.18 0.00 0.00 59.36 58.61 3fgx h GLU 79 Cb 0.23 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 28.66 3fgx h GLU 79 CO 0.01 0.87 0.67 1.49 -1.18 0.00 0.00 179.01 180.86 3fgx h GLU 80 N -1.00 0.03 -0.14 1.92 4.81 -1.87 0.60 114.58 118.93 3fgx h GLU 80 Ca -0.12 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 3fgx h GLU 80 Cb 1.00 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 3fgx h GLU 80 CO -0.07 0.02 -0.24 1.25 -0.73 0.00 0.00 179.01 179.24 3fgx h LEU 81 N 0.03 0.45 -1.07 1.64 5.85 -1.63 -0.86 115.31 119.73 3fgx h LEU 81 Ca 0.85 -0.54 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 3fgx h LEU 81 Cb 2.40 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 43.28 3fgx h LEU 81 CO -0.64 0.90 0.14 0.03 -0.34 0.00 0.00 178.44 178.53 3fgx h ARG 82 N 0.01 0.81 0.07 1.25 3.08 0.39 0.65 114.38 120.63 3fgx h ARG 82 Ca 0.01 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 59.91 3fgx h ARG 82 Cb 0.81 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3fgx h ARG 82 CO 0.05 0.72 -0.09 0.37 -1.07 0.00 0.00 179.97 179.95 3fgx h GLN 83 N 0.78 -0.19 -0.30 0.04 4.15 -0.63 -2.84 115.11 116.13 3fgx h GLN 83 Ca 0.17 0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.44 3fgx h GLN 83 Cb 0.27 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 3fgx h GLN 83 CO -0.00 -0.12 -0.47 0.00 -1.93 0.00 0.00 178.83 176.30 3fgx h ALA 84 N 0.73 0.46 -0.22 3.38 0.00 -0.40 0.47 119.26 123.67 3fgx h ALA 84 Ca 0.01 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3fgx h ALA 84 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3fgx h ALA 84 CO -0.05 0.62 0.05 0.00 0.00 0.00 0.00 179.25 179.88 3fgx h ALA 85 N 0.69 0.30 0.23 0.00 0.00 -0.97 2.07 119.26 121.57 3fgx h ALA 85 Ca 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3fgx h ALA 85 Cb 1.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3fgx h ALA 85 CO 0.11 -0.05 -0.16 1.49 0.00 0.00 0.00 179.25 180.63 3fgx h GLU 86 N 0.18 -0.38 0.00 0.00 4.57 -1.49 0.38 114.58 117.85 3fgx h GLU 86 Ca 0.07 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3fgx h GLU 86 Cb 0.28 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 3fgx h GLU 86 CO 0.00 -0.25 0.00 0.93 -1.18 0.00 0.00 179.01 178.51 3fgx h GLU 87 N -0.39 0.00 -2.20 1.92 5.08 -0.54 -3.29 114.58 115.16 3fgx h GLU 87 Ca -0.02 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.79 3fgx h GLU 87 Cb 0.34 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 29.23 3fgx h GLU 87 CO 0.00 0.00 -0.95 1.19 -1.00 0.00 0.00 179.01 178.25 3fgx n PHE 88 N -2.88 -1.14 -1.12 4.33 3.01 0.70 -5.03 117.46 115.32 3fgx n PHE 88 Ca -0.01 -3.16 -0.35 0.00 1.01 0.00 0.00 57.45 54.94 3fgx n PHE 88 Cb 0.14 0.32 0.10 0.00 -0.01 0.00 0.00 39.48 40.03 3fgx n PHE 88 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3fgx n PRO 89 N 2.70 0.15 -0.72 -1.08 -0.04 0.13 -2.04 135.00 134.10 3fgx n PRO 89 Ca 0.28 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 3fgx n PRO 89 Cb 0.49 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 3fgx n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fgx n GLY 90 N 1.34 0.84 0.06 0.55 0.00 -1.26 -4.91 105.19 101.81 3fgx n GLY 90 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 3fgx n GLY 90 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fgx h LEU 91 N 0.00 -0.00 -1.85 0.99 5.85 -1.71 -3.29 115.31 115.30 3fgx h LEU 91 Ca 0.00 -0.79 -0.03 0.00 0.84 0.00 0.00 57.88 57.90 3fgx h LEU 91 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3fgx h LEU 91 CO 0.00 0.79 -0.12 0.71 -0.34 0.00 0.00 178.44 179.48 3fgx h THR 92 N -0.80 0.92 -0.91 1.05 1.35 -1.90 0.14 112.91 112.75 3fgx h THR 92 Ca -0.00 -0.45 0.20 0.00 -0.55 0.00 0.00 66.41 65.61 3fgx h THR 92 Cb 0.79 1.26 -0.17 0.00 -1.73 0.00 0.00 68.15 68.30 3fgx h THR 92 CO 0.00 0.12 -0.13 0.15 -0.25 0.00 0.00 175.52 175.41 3fgx h PHE 93 N 0.00 -0.31 -0.30 4.73 3.57 -1.87 0.16 116.94 122.93 3fgx h PHE 93 Ca -0.00 0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 3fgx h PHE 93 Cb 0.25 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 3fgx h PHE 93 CO 0.00 -0.38 0.18 -0.97 -2.23 0.00 0.00 178.31 174.91 3fgx h ASN 94 N 0.02 0.35 0.00 0.41 -1.24 -0.82 -3.10 115.58 111.21 3fgx h ASN 94 Ca 0.48 -0.05 -0.17 0.00 0.71 0.00 0.00 56.30 57.27 3fgx h ASN 94 Cb 0.82 -0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.76 3fgx h ASN 94 CO -0.90 0.30 -0.93 0.71 -1.29 0.00 0.00 177.43 175.32 3fgx h THR 95 N 0.38 1.15 -0.55 -3.57 1.35 -1.40 -2.94 112.91 107.33 3fgx h THR 95 Ca 0.11 -2.22 0.10 0.00 -0.55 0.00 0.00 66.41 63.84 3fgx h THR 95 Cb 0.01 2.53 -0.10 0.00 -1.73 0.00 0.00 68.15 68.86 3fgx h THR 95 CO -0.02 0.39 -0.17 0.00 -0.25 0.00 0.00 175.52 175.47 3fgx n ALA 96 N -3.20 0.04 0.09 6.62 0.00 0.54 0.92 120.51 125.53 3fgx n ALA 96 Ca -0.26 0.58 -0.13 0.00 0.00 0.00 0.00 53.44 53.63 3fgx n ALA 96 Cb 0.63 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.69 3fgx n ALA 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3fgx h SER 97 N 0.00 -0.18 -0.70 0.00 0.87 -1.58 -1.56 113.55 110.41 3fgx h SER 97 Ca 0.23 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3fgx h SER 97 Cb 0.37 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 3fgx h SER 97 CO -0.56 0.05 0.46 -0.09 -0.53 0.00 0.00 176.83 176.16 3fgx h ARG 98 N -0.40 0.92 0.08 2.24 9.65 -0.46 1.14 114.38 127.55 3fgx h ARG 98 Ca -0.02 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3fgx h ARG 98 Cb 0.32 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3fgx h ARG 98 CO 0.03 0.61 -0.04 -0.07 2.80 0.00 0.00 179.97 183.31 3fgx h LEU 99 N 0.95 -0.09 -0.09 3.80 3.38 0.72 -1.18 115.31 122.80 3fgx h LEU 99 Ca 0.26 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3fgx h LEU 99 Cb -0.11 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3fgx h LEU 99 CO -0.06 0.05 0.02 0.24 0.09 0.00 0.00 178.44 178.79 3fgx h MET 100 N -0.23 0.14 -0.83 1.13 2.86 -0.19 0.23 114.93 118.04 3fgx h MET 100 Ca -0.01 -0.03 0.24 0.00 -2.06 0.00 0.00 59.70 57.84 3fgx h MET 100 Cb 0.20 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 3fgx h MET 100 CO 0.02 0.32 0.82 0.93 1.06 0.00 0.00 176.91 180.06 3fgx h GLU 101 N -0.07 0.00 0.10 1.72 5.08 0.14 0.32 114.58 121.87 3fgx h GLU 101 Ca 0.03 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.09 3fgx h GLU 101 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3fgx h GLU 101 CO 0.00 0.00 -1.49 0.97 -1.00 0.00 0.00 179.01 177.49 3fgx h ILE 102 N 0.00 1.19 0.04 3.13 6.09 0.72 -3.36 117.51 125.32 3fgx h ILE 102 Ca 0.39 -2.85 -0.26 0.00 -1.37 0.00 0.00 64.86 60.78 3fgx h ILE 102 Cb 2.03 2.76 0.01 0.00 0.47 0.00 0.00 36.82 42.09 3fgx h ILE 102 CO -0.00 0.81 -1.06 -0.37 -3.07 0.00 0.00 178.15 174.46 3fgx h VAL 103 N 0.06 1.36 0.00 2.19 -1.51 0.50 -3.47 116.25 115.38 3fgx h VAL 103 Ca -0.22 -2.46 0.00 0.00 -1.23 0.00 0.00 66.70 62.78 3fgx h VAL 103 Cb 2.00 2.52 0.00 0.00 -2.13 0.00 0.00 31.29 33.67 3fgx h VAL 103 CO 0.16 0.74 0.00 0.61 -1.23 0.00 0.00 177.57 177.85 3fgx n GLY 104 N 1.12 0.00 3.56 5.19 0.00 -0.25 -5.10 105.19 109.72 3fgx n GLY 104 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 3fgx n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgx s ALA 105 N 0.00 2.08 0.03 4.61 0.00 -0.90 -4.84 121.76 122.73 3fgx s ALA 105 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 3fgx s ALA 105 Cb 0.00 -4.26 0.01 0.00 0.00 0.00 0.00 23.12 18.87 3fgx s ALA 105 CO 0.00 -3.87 0.19 0.43 0.00 0.00 0.00 175.76 172.51 3fgx n SER 106 N 13.73 -0.29 -4.71 0.00 7.64 -1.26 -3.10 113.62 125.63 3fgx n SER 106 Ca 0.29 -1.14 -0.43 0.00 1.01 0.00 0.00 58.87 58.60 3fgx n SER 106 Cb 0.52 0.47 -0.01 0.00 -1.01 0.00 0.00 64.21 64.17 3fgx n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fgx n ALA 107 N -2.62 1.71 -3.90 -0.43 0.00 -1.26 -5.06 120.51 108.95 3fgx n ALA 107 Ca -0.02 0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.65 3fgx n ALA 107 Cb 0.10 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.17 3fgx n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fgx n ALA 108 N 1.35 0.23 -2.40 0.00 0.00 -1.26 -5.19 120.51 113.23 3fgx n ALA 108 Ca 0.08 -1.40 -0.19 0.00 0.00 0.00 0.00 53.44 51.92 3fgx n ALA 108 Cb 0.35 1.13 -0.10 0.00 0.00 0.00 0.00 19.45 20.82 3fgx n ALA 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fgx s THR 109 N -2.91 0.94 -0.04 0.00 2.01 -1.26 -5.18 115.64 109.20 3fgx s THR 109 Ca 0.27 -2.00 -0.25 0.00 0.31 0.00 0.00 61.69 60.02 3fgx s THR 109 Cb 0.01 -2.73 0.05 0.00 0.01 0.00 0.00 72.50 69.84 3fgx s THR 109 CO 0.19 -0.00 0.54 -0.44 -0.69 0.00 0.00 174.62 174.22 3fgx s SER 110 N -3.42 -0.49 -0.18 3.53 0.01 -1.26 -5.16 113.70 106.73 3fgx s SER 110 Ca 0.37 0.48 -0.11 0.00 1.31 0.00 0.00 55.95 58.01 3fgx s SER 110 Cb 0.08 0.46 0.06 0.00 0.21 0.00 0.00 66.02 66.83 3fgx s SER 110 CO 0.15 -0.55 0.45 -0.76 0.41 0.00 0.00 173.24 172.94 3fgx s LEU 111 N -1.25 -0.19 0.00 2.44 1.02 -1.26 -5.41 118.68 114.04 3fgx s LEU 111 Ca -0.12 0.98 0.00 0.00 0.02 0.00 0.00 54.13 55.01 3fgx s LEU 111 Cb -0.02 1.50 0.00 0.00 0.02 0.00 0.00 46.19 47.69 3fgx s LEU 111 CO 0.08 -0.20 0.00 0.29 0.02 0.00 0.00 176.35 176.54