#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ftg s ILE 1 N 0.00 3.59 -0.03 2.02 -1.09 -1.26 -4.96 121.20 119.47 3ftg s ILE 1 Ca 0.00 0.50 -0.04 0.00 -2.23 0.00 0.00 60.65 58.89 3ftg s ILE 1 Cb 0.00 -4.08 0.01 0.00 -1.58 0.00 0.00 42.46 36.80 3ftg s ILE 1 CO 0.00 -0.88 0.10 -1.10 -1.23 0.00 0.00 174.94 171.82 3ftg s GLN 2 N 5.96 0.19 -0.03 2.79 -0.21 -1.26 -4.27 119.66 122.83 3ftg s GLN 2 Ca 0.64 0.00 0.02 0.00 0.02 0.00 0.00 55.36 56.04 3ftg s GLN 2 Cb -0.14 0.08 0.01 0.00 1.00 0.00 0.00 33.01 33.95 3ftg s GLN 2 CO 0.26 -0.03 -0.08 0.15 -2.12 0.00 0.00 175.29 173.48 3ftg s LYS 3 N -0.27 0.85 -0.08 2.91 1.02 0.57 -4.91 119.74 119.83 3ftg s LYS 3 Ca -0.03 -0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.41 3ftg s LYS 3 Cb -0.02 -0.81 -0.02 0.00 -0.52 0.00 0.00 37.83 36.46 3ftg s LYS 3 CO 0.00 0.08 1.03 0.99 -0.92 0.00 0.00 175.35 176.53 3ftg s THR 4 N 0.27 4.72 0.18 2.17 2.01 -1.26 -2.51 115.64 121.21 3ftg s THR 4 Ca -0.04 1.98 -0.31 0.00 0.31 0.00 0.00 61.69 63.63 3ftg s THR 4 Cb -0.09 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 68.05 3ftg s THR 4 CO 0.00 0.03 1.52 -2.16 -0.69 0.00 0.00 174.62 173.32 3ftg s PRO 5 N 1.88 4.24 0.29 4.92 0.04 -1.26 -4.53 135.00 140.58 3ftg s PRO 5 Ca 0.50 2.32 -0.26 0.00 0.04 0.00 0.00 61.00 63.59 3ftg s PRO 5 Cb -0.20 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.10 3ftg s PRO 5 CO 0.20 -0.55 0.92 -0.65 0.04 0.00 0.00 177.00 176.96 3ftg s GLN 6 N 0.79 4.61 -0.05 4.56 -0.21 -0.11 -4.89 119.66 124.36 3ftg s GLN 6 Ca 0.67 1.32 0.03 0.00 0.02 0.00 0.00 55.36 57.40 3ftg s GLN 6 Cb -0.43 -2.92 0.00 0.00 1.00 0.00 0.00 33.01 30.67 3ftg s GLN 6 CO 0.34 0.35 -0.15 0.42 -2.12 0.00 0.00 175.29 174.13 3ftg s ILE 7 N -1.51 1.29 -0.07 1.08 1.01 -1.26 -1.74 121.20 120.01 3ftg s ILE 7 Ca 0.47 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.54 3ftg s ILE 7 Cb -0.20 -1.14 0.01 0.00 0.01 0.00 0.00 42.46 41.14 3ftg s ILE 7 CO 0.25 0.38 -0.16 -1.10 0.00 0.00 0.00 174.94 174.31 3ftg s GLN 8 N 0.27 2.05 -0.09 2.79 -0.21 -0.75 -5.01 119.66 118.72 3ftg s GLN 8 Ca -0.08 -0.57 0.01 0.00 0.02 0.00 0.00 55.36 54.74 3ftg s GLN 8 Cb -0.13 -1.66 -0.02 0.00 1.00 0.00 0.00 33.01 32.20 3ftg s GLN 8 CO 0.03 0.11 -0.11 0.08 -2.12 0.00 0.00 175.29 173.28 3ftg s VAL 9 N 0.45 3.26 -0.05 1.09 1.01 -1.26 -1.48 120.40 123.41 3ftg s VAL 9 Ca -0.13 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 60.91 3ftg s VAL 9 Cb -0.15 -2.33 0.12 0.00 0.00 0.00 0.00 36.38 34.01 3ftg s VAL 9 CO 0.05 0.56 1.17 -0.72 0.00 0.00 0.00 175.10 176.16 3ftg s TYR 10 N -0.30 -0.12 0.06 5.22 1.13 -0.60 -4.70 117.35 118.04 3ftg s TYR 10 Ca 0.03 -0.00 -0.09 0.00 -1.41 0.00 0.00 57.07 55.60 3ftg s TYR 10 Cb -0.13 0.55 -0.05 0.00 -1.10 0.00 0.00 41.96 41.23 3ftg s TYR 10 CO 0.03 -0.36 0.35 -1.54 -2.51 0.00 0.00 175.55 171.52 3ftg s SER 11 N -2.65 6.59 0.22 -0.18 1.04 -1.26 0.11 113.70 117.56 3ftg s SER 11 Ca 0.11 0.70 -0.08 0.00 0.48 0.00 0.00 55.95 57.16 3ftg s SER 11 Cb 0.01 -2.14 0.28 0.00 0.10 0.00 0.00 66.02 64.27 3ftg s SER 11 CO -0.04 0.20 1.80 -0.09 0.98 0.00 0.00 173.24 176.09 3ftg h ARG 12 N 3.78 0.65 -6.40 4.02 2.43 -1.05 -3.44 114.38 114.37 3ftg h ARG 12 Ca -0.49 -0.04 -0.62 0.00 -0.81 0.00 0.00 59.98 58.02 3ftg h ARG 12 Cb 1.19 -0.15 -0.18 0.00 -0.42 0.00 0.00 29.97 30.42 3ftg h ARG 12 CO 0.67 0.43 -0.81 -1.01 -1.51 0.00 0.00 179.97 177.74 3ftg s HIS 13 N -6.08 2.17 0.27 2.20 3.76 -1.26 -5.04 115.29 111.31 3ftg s HIS 13 Ca -0.13 -0.39 -0.29 0.00 -0.15 0.00 0.00 55.06 54.10 3ftg s HIS 13 Cb 0.17 -1.07 -0.09 0.00 1.11 0.00 0.00 32.58 32.70 3ftg s HIS 13 CO 0.76 0.47 1.21 -2.14 -0.85 0.00 0.00 174.74 174.19 3ftg s PRO 14 N -2.76 4.50 0.17 8.40 0.02 -1.26 -4.90 135.00 139.17 3ftg s PRO 14 Ca 0.20 1.97 -0.30 0.00 0.02 0.00 0.00 61.00 62.89 3ftg s PRO 14 Cb -0.07 -3.17 -0.07 0.00 0.02 0.00 0.00 34.50 31.21 3ftg s PRO 14 CO 0.09 -0.02 1.01 -1.25 -0.33 0.00 0.00 177.00 176.50 3ftg s PRO 15 N -1.14 4.70 -0.03 5.54 0.04 -1.26 -5.04 135.00 137.81 3ftg s PRO 15 Ca 0.49 1.57 0.03 0.00 0.04 0.00 0.00 61.00 63.13 3ftg s PRO 15 Cb -0.35 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 30.88 3ftg s PRO 15 CO 0.43 0.25 -0.12 -1.21 0.04 0.00 0.00 177.00 176.39 3ftg s GLU 16 N -0.50 1.22 0.17 4.56 2.02 -1.26 -5.12 118.70 119.79 3ftg s GLU 16 Ca 0.46 -0.40 -0.34 0.00 0.02 0.00 0.00 54.97 54.71 3ftg s GLU 16 Cb -0.26 -1.11 -0.15 0.00 0.10 0.00 0.00 34.13 32.71 3ftg s GLU 16 CO 0.33 0.15 1.42 0.09 0.02 0.00 0.00 175.26 177.27 3ftg n ASN 17 N 3.24 2.45 -3.80 -0.19 5.03 -1.26 -2.79 115.26 117.94 3ftg n ASN 17 Ca -0.18 1.12 -0.26 0.00 0.87 0.00 0.00 54.58 56.13 3ftg n ASN 17 Cb 0.54 -1.35 0.03 0.00 -1.02 0.00 0.00 39.78 37.98 3ftg n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ftg n GLY 18 N 2.66 -0.40 2.65 7.41 0.00 -0.52 -5.00 105.19 111.99 3ftg n GLY 18 Ca 0.15 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 3ftg n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ftg s LYS 19 N -6.30 0.46 0.18 1.61 2.20 -1.12 -5.01 119.74 111.76 3ftg s LYS 19 Ca 0.35 -0.70 -0.31 0.00 -0.36 0.00 0.00 55.97 54.95 3ftg s LYS 19 Cb -0.17 -1.68 -0.17 0.00 -1.51 0.00 0.00 37.83 34.30 3ftg s LYS 19 CO 0.82 -0.92 0.79 -2.30 -0.36 0.00 0.00 175.35 173.37 3ftg n PRO 20 N 5.06 0.42 -3.98 4.03 -0.02 -1.26 -4.51 135.00 134.73 3ftg n PRO 20 Ca -0.05 0.15 -0.10 0.00 -2.02 0.00 0.00 63.50 61.47 3ftg n PRO 20 Cb 0.43 -1.37 -0.03 0.00 -0.02 0.00 0.00 33.50 32.51 3ftg n PRO 20 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3ftg s ASN 21 N -0.61 0.19 -0.07 2.55 -0.87 0.14 -4.98 114.94 111.28 3ftg s ASN 21 Ca 0.69 -1.09 0.02 0.00 -1.57 0.00 0.00 52.86 50.90 3ftg s ASN 21 Cb -0.93 0.66 -0.03 0.00 -0.02 0.00 0.00 41.25 40.94 3ftg s ASN 21 CO 0.56 -1.29 -0.10 -0.63 -2.57 0.00 0.00 177.10 173.07 3ftg s ILE 22 N -3.46 3.42 -0.16 0.60 -1.09 -1.26 0.17 121.20 119.43 3ftg s ILE 22 Ca 0.23 -0.58 -0.08 0.00 -2.23 0.00 0.00 60.65 57.99 3ftg s ILE 22 Cb -0.02 -2.39 -0.04 0.00 -1.58 0.00 0.00 42.46 38.43 3ftg s ILE 22 CO 0.12 0.59 0.11 -0.22 -1.23 0.00 0.00 174.94 174.31 3ftg s LEU 23 N -0.64 4.13 -0.02 2.97 2.96 -0.75 -0.34 118.68 127.00 3ftg s LEU 23 Ca 0.09 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.31 3ftg s LEU 23 Cb -0.11 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 3ftg s LEU 23 CO 0.01 0.27 -0.10 0.20 -1.32 0.00 0.00 176.35 175.42 3ftg s ASN 24 N -0.21 4.37 -0.27 3.68 0.01 0.30 -3.08 114.94 119.74 3ftg s ASN 24 Ca 0.10 -0.17 -0.00 0.00 -0.71 0.00 0.00 52.86 52.08 3ftg s ASN 24 Cb -0.12 -0.98 0.08 0.00 0.41 0.00 0.00 41.25 40.65 3ftg s ASN 24 CO 0.01 0.31 0.04 0.00 -1.51 0.00 0.00 177.10 175.95 3ftg s TYR 26 N 1.51 3.35 -0.06 0.00 5.04 -0.55 -1.11 117.35 125.53 3ftg s TYR 26 Ca 0.03 0.36 0.03 0.00 -2.44 0.00 0.00 57.07 55.05 3ftg s TYR 26 Cb -0.18 -2.33 0.01 0.00 0.35 0.00 0.00 41.96 39.80 3ftg s TYR 26 CO -0.14 0.07 -0.14 0.08 -1.34 0.00 0.00 175.55 174.08 3ftg s VAL 27 N 1.04 1.23 0.26 3.14 1.01 -0.45 -1.80 120.40 124.82 3ftg s VAL 27 Ca 0.11 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 3ftg s VAL 27 Cb -0.14 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 3ftg s VAL 27 CO 0.05 0.37 0.37 0.42 0.00 0.00 0.00 175.10 176.31 3ftg s THR 28 N 0.46 0.00 -1.92 3.92 -4.23 -0.71 -0.44 115.64 112.72 3ftg s THR 28 Ca -0.11 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 3ftg s THR 28 Cb -0.14 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.29 3ftg s THR 28 CO 0.03 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.11 3ftg n GLN 29 N -0.40 -1.52 -4.23 3.99 1.13 -0.57 -0.94 117.38 114.84 3ftg n GLN 29 Ca 0.00 1.09 -0.27 0.00 -1.94 0.00 0.00 57.00 55.89 3ftg n GLN 29 Cb 0.63 -5.59 -0.08 0.00 0.11 0.00 0.00 30.24 25.31 3ftg n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3ftg s PHE 30 N -2.90 2.79 -0.21 1.08 -0.12 -1.21 -4.26 117.98 113.16 3ftg s PHE 30 Ca 0.00 -0.16 -0.23 0.00 -0.05 0.00 0.00 56.93 56.49 3ftg s PHE 30 Cb 0.00 -1.35 0.06 0.00 -0.63 0.00 0.00 43.02 41.10 3ftg s PHE 30 CO 0.00 0.52 0.62 -1.58 -0.05 0.00 0.00 175.22 174.73 3ftg s HIS 31 N -1.74 -0.67 1.08 3.49 2.46 -1.04 -1.86 115.29 117.01 3ftg s HIS 31 Ca 0.27 1.58 -0.14 0.00 0.47 0.00 0.00 55.06 57.24 3ftg s HIS 31 Cb -0.09 0.25 0.23 0.00 -0.13 0.00 0.00 32.58 32.84 3ftg s HIS 31 CO 0.18 -0.36 1.08 -1.25 -2.47 0.00 0.00 174.74 171.91 3ftg s PRO 32 N 0.11 -0.23 0.00 2.88 0.04 -1.26 -0.31 135.00 136.23 3ftg s PRO 32 Ca -0.02 0.44 0.20 0.00 0.04 0.00 0.00 61.00 61.66 3ftg s PRO 32 Cb -0.04 -1.67 0.87 0.00 0.04 0.00 0.00 34.50 33.70 3ftg s PRO 32 CO 0.02 -3.16 1.63 -0.35 0.04 0.00 0.00 177.00 175.18 3ftg n PRO 33 N -4.46 0.06 -2.22 0.56 -0.04 -1.26 -4.81 135.00 122.82 3ftg n PRO 33 Ca 0.06 0.15 -0.41 0.00 -0.04 0.00 0.00 63.50 63.26 3ftg n PRO 33 Cb 0.57 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 3ftg n PRO 33 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3ftg s HIS 34 N -2.91 3.25 -0.16 0.54 2.46 -1.26 -5.01 115.29 112.19 3ftg s HIS 34 Ca 0.11 1.31 -0.29 0.00 0.47 0.00 0.00 55.06 56.66 3ftg s HIS 34 Cb 0.13 -3.59 0.10 0.00 -0.13 0.00 0.00 32.58 29.09 3ftg s HIS 34 CO 0.35 -1.74 0.87 -1.50 -2.47 0.00 0.00 174.74 170.24 3ftg s ILE 35 N -0.27 0.00 -0.15 0.89 2.07 -1.26 -4.65 121.20 117.82 3ftg s ILE 35 Ca 0.54 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.79 3ftg s ILE 35 Cb -0.37 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.23 3ftg s ILE 35 CO 0.41 0.00 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.65 3ftg s GLU 36 N -0.74 3.12 -0.15 3.50 2.02 -0.32 -4.99 118.70 121.13 3ftg s GLU 36 Ca -0.04 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.16 3ftg s GLU 36 Cb -0.02 -2.53 0.01 0.00 0.10 0.00 0.00 34.13 31.69 3ftg s GLU 36 CO 0.03 0.00 -0.18 0.42 0.02 0.00 0.00 175.26 175.55 3ftg s ILE 37 N 0.81 2.36 0.08 -1.63 1.01 -1.26 -0.48 121.20 122.09 3ftg s ILE 37 Ca -0.06 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.80 3ftg s ILE 37 Cb -0.15 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 3ftg s ILE 37 CO -0.01 0.53 -0.19 -1.10 0.00 0.00 0.00 174.94 174.17 3ftg s GLN 38 N 0.88 1.88 -0.08 2.79 -0.21 0.11 -4.98 119.66 120.05 3ftg s GLN 38 Ca -0.05 -1.10 0.04 0.00 0.02 0.00 0.00 55.36 54.27 3ftg s GLN 38 Cb -0.15 -2.12 -0.01 0.00 1.00 0.00 0.00 33.01 31.73 3ftg s GLN 38 CO -0.02 0.51 -0.21 -1.64 -2.12 0.00 0.00 175.29 171.81 3ftg s MET 39 N -1.78 2.81 -0.02 2.91 -1.94 -1.26 -0.27 119.30 119.74 3ftg s MET 39 Ca 0.16 -0.82 0.06 0.00 -1.71 0.00 0.00 55.69 53.38 3ftg s MET 39 Cb -0.10 -2.32 -0.02 0.00 2.01 0.00 0.00 34.83 34.40 3ftg s MET 39 CO 0.07 0.35 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.71 3ftg s LEU 40 N -0.05 2.04 -0.31 -0.03 1.43 -0.00 0.03 118.68 121.77 3ftg s LEU 40 Ca -0.06 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 3ftg s LEU 40 Cb -0.14 -1.08 0.04 0.00 0.03 0.00 0.00 46.19 45.03 3ftg s LEU 40 CO 0.05 0.25 0.05 -0.75 0.23 0.00 0.00 176.35 176.18 3ftg s LYS 41 N -0.46 2.64 -1.30 1.70 2.20 0.33 -1.76 119.74 123.09 3ftg s LYS 41 Ca 0.07 -1.15 -0.04 0.00 -0.36 0.00 0.00 55.97 54.49 3ftg s LYS 41 Cb -0.08 -3.31 -0.00 0.00 -1.51 0.00 0.00 37.83 32.92 3ftg s LYS 41 CO -0.01 -0.60 0.63 0.09 -0.36 0.00 0.00 175.35 175.11 3ftg n ASN 42 N 4.74 -1.87 0.00 1.43 3.02 0.28 -1.17 115.26 121.69 3ftg n ASN 42 Ca -0.13 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 3ftg n ASN 42 Cb 0.45 -3.64 0.00 0.00 -0.61 0.00 0.00 39.78 35.98 3ftg n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ftg n GLY 43 N -1.72 0.19 3.37 7.41 0.00 -1.26 -4.95 105.19 108.23 3ftg n GLY 43 Ca -0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 3ftg n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ftg s LYS 44 N -1.23 3.50 -0.61 1.61 2.20 -0.32 -5.04 119.74 119.85 3ftg s LYS 44 Ca 0.00 -0.56 -0.34 0.00 -0.36 0.00 0.00 55.97 54.71 3ftg s LYS 44 Cb 0.00 -3.14 -0.15 0.00 -1.51 0.00 0.00 37.83 33.03 3ftg s LYS 44 CO 0.00 -0.19 2.39 1.63 -0.36 0.00 0.00 175.35 178.82 3ftg n LYS 45 N 4.84 0.55 -1.66 4.03 5.02 -1.26 -0.51 118.16 129.16 3ftg n LYS 45 Ca -0.17 0.09 -0.47 0.00 -2.02 0.00 0.00 58.31 55.75 3ftg n LYS 45 Cb 0.51 -2.18 -0.04 0.00 -0.02 0.00 0.00 35.03 33.29 3ftg n LYS 45 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3ftg n ILE 46 N 7.33 0.02 -2.61 -0.18 5.41 0.10 -4.90 119.36 124.53 3ftg n ILE 46 Ca 0.51 -0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.93 3ftg n ILE 46 Cb 0.18 -1.48 -0.05 0.00 -0.71 0.00 0.00 39.64 37.58 3ftg n ILE 46 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3ftg s PRO 47 N 0.96 4.06 -0.31 0.38 0.04 -1.26 -4.61 135.00 134.26 3ftg s PRO 47 Ca 0.80 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 3ftg s PRO 47 Cb -0.70 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 31.68 3ftg s PRO 47 CO 0.39 -0.15 0.42 1.17 0.04 0.00 0.00 177.00 178.87 3ftg n LYS 48 N -1.14 -1.79 -4.46 4.56 4.81 -1.26 -4.94 118.16 113.94 3ftg n LYS 48 Ca 0.07 1.72 -0.33 0.00 -0.87 0.00 0.00 58.31 58.89 3ftg n LYS 48 Cb 0.54 -4.55 -0.15 0.00 0.02 0.00 0.00 35.03 30.89 3ftg n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3ftg s VAL 49 N -2.13 2.80 -0.08 3.15 1.01 -1.26 -4.61 120.40 119.29 3ftg s VAL 49 Ca 0.17 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 3ftg s VAL 49 Cb -0.05 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3ftg s VAL 49 CO 0.56 0.50 0.78 -1.61 0.00 0.00 0.00 175.10 175.34 3ftg s GLU 50 N 0.85 4.43 0.06 2.72 8.01 0.98 -4.91 118.70 130.85 3ftg s GLU 50 Ca -0.04 1.01 -0.22 0.00 0.01 0.00 0.00 54.97 55.73 3ftg s GLU 50 Cb -0.15 -3.48 -0.06 0.00 -4.31 0.00 0.00 34.13 26.13 3ftg s GLU 50 CO -0.00 -0.04 0.66 -1.64 0.01 0.00 0.00 175.26 174.25 3ftg s MET 51 N 1.13 4.38 0.00 1.61 -1.94 -1.26 -1.69 119.30 121.53 3ftg s MET 51 Ca 0.40 0.89 0.00 0.00 -1.71 0.00 0.00 55.69 55.28 3ftg s MET 51 Cb -0.18 -3.30 0.00 0.00 2.01 0.00 0.00 34.83 33.36 3ftg s MET 51 CO 0.19 0.46 0.00 -1.13 -0.01 0.00 0.00 175.02 174.53 3ftg n SER 52 N 2.25 0.00 0.00 3.03 3.41 -0.58 -5.03 113.62 116.71 3ftg n SER 52 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3ftg n SER 52 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3ftg n SER 52 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3ftg n ASP 53 N 0.00 0.00 -2.50 4.04 2.03 -1.26 -4.93 116.55 113.93 3ftg n ASP 53 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 3ftg n ASP 53 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 3ftg n ASP 53 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3ftg n MET 54 N 0.00 -4.16 -1.16 -0.67 0.00 -1.14 -5.02 117.12 104.97 3ftg n MET 54 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 57.70 58.22 3ftg n MET 54 Cb 0.00 -4.58 0.00 0.00 0.00 0.00 0.00 33.22 28.64 3ftg n MET 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3ftg n SER 55 N -2.24 1.75 -4.23 3.17 3.41 -1.22 -4.98 113.62 109.29 3ftg n SER 55 Ca -0.17 -0.62 -0.13 0.00 -0.26 0.00 0.00 58.87 57.70 3ftg n SER 55 Cb 0.60 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 3ftg n SER 55 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3ftg s PHE 56 N -0.03 1.18 0.50 7.33 -0.12 -1.26 -1.65 117.98 123.91 3ftg s PHE 56 Ca 0.00 -1.17 0.08 0.00 -0.05 0.00 0.00 56.93 55.79 3ftg s PHE 56 Cb 0.00 -0.66 0.04 0.00 -0.63 0.00 0.00 43.02 41.77 3ftg s PHE 56 CO 0.00 -0.39 0.62 -1.54 -0.05 0.00 0.00 175.22 173.86 3ftg s SER 57 N -3.17 5.24 0.54 1.98 1.04 -0.47 -4.91 113.70 113.96 3ftg s SER 57 Ca 0.29 -0.72 0.34 0.00 0.48 0.00 0.00 55.95 56.34 3ftg s SER 57 Cb 0.07 -0.14 1.83 0.00 0.10 0.00 0.00 66.02 67.88 3ftg s SER 57 CO 0.07 -1.02 2.03 0.11 0.98 0.00 0.00 173.24 175.40 3ftg h LYS 58 N 0.51 0.00 -0.15 4.02 1.57 -2.02 0.53 116.57 121.03 3ftg h LYS 58 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3ftg h LYS 58 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3ftg h LYS 58 CO 0.46 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.94 3ftg n ASP 59 N -2.74 1.08 0.00 0.86 5.75 -1.26 -4.93 116.55 115.31 3ftg n ASP 59 Ca -0.02 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 3ftg n ASP 59 Cb 0.12 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 3ftg n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3ftg n TRP 60 N -0.01 0.00 -2.49 2.11 7.02 0.18 -5.02 117.44 119.24 3ftg n TRP 60 Ca 0.12 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.25 3ftg n TRP 60 Cb 0.21 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.07 3ftg n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3ftg s SER 61 N -2.94 6.32 0.27 -0.99 1.04 -1.25 -4.70 113.70 111.44 3ftg s SER 61 Ca 0.00 2.00 -0.14 0.00 0.48 0.00 0.00 55.95 58.29 3ftg s SER 61 Cb 0.00 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.47 3ftg s SER 61 CO 0.00 -0.80 0.67 -0.36 0.98 0.00 0.00 173.24 173.73 3ftg s PHE 62 N -1.88 3.44 0.06 5.02 0.40 -0.78 -1.37 117.98 122.88 3ftg s PHE 62 Ca 0.66 1.13 0.04 0.00 -0.60 0.00 0.00 56.93 58.16 3ftg s PHE 62 Cb -0.19 -2.45 -0.03 0.00 0.51 0.00 0.00 43.02 40.86 3ftg s PHE 62 CO 0.23 0.20 -0.12 1.52 0.70 0.00 0.00 175.22 177.75 3ftg s TYR 63 N -1.84 1.01 0.10 0.36 1.13 -0.66 -1.51 117.35 115.94 3ftg s TYR 63 Ca 0.49 -0.47 -0.11 0.00 -1.41 0.00 0.00 57.07 55.58 3ftg s TYR 63 Cb -0.12 -0.58 0.01 0.00 -1.10 0.00 0.00 41.96 40.18 3ftg s TYR 63 CO 0.19 0.00 0.25 -1.50 -2.51 0.00 0.00 175.55 171.98 3ftg s ILE 64 N -1.30 0.12 -0.13 -3.49 2.07 0.42 -2.91 121.20 115.99 3ftg s ILE 64 Ca -0.05 -1.02 0.01 0.00 -1.41 0.00 0.00 60.65 58.18 3ftg s ILE 64 Cb -0.10 -1.31 0.02 0.00 0.13 0.00 0.00 42.46 41.20 3ftg s ILE 64 CO 0.02 -0.55 -0.13 -0.22 -1.91 0.00 0.00 174.94 172.15 3ftg s LEU 65 N -2.85 1.59 0.05 8.50 2.96 -1.26 -1.35 118.68 126.32 3ftg s LEU 65 Ca 0.05 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 3ftg s LEU 65 Cb 0.04 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 3ftg s LEU 65 CO -0.11 -0.04 0.12 0.00 -1.32 0.00 0.00 176.35 175.00 3ftg s ALA 66 N 1.35 3.71 -0.10 5.97 0.00 -0.27 -1.52 121.76 130.91 3ftg s ALA 66 Ca 0.01 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 3ftg s ALA 66 Cb -0.13 -1.61 0.09 0.00 0.00 0.00 0.00 23.12 21.47 3ftg s ALA 66 CO -0.07 0.75 0.79 -3.38 0.00 0.00 0.00 175.76 173.85 3ftg s HIS 67 N -1.36 -0.57 0.16 0.00 -3.43 -0.68 -1.23 115.29 108.17 3ftg s HIS 67 Ca 0.29 1.00 -0.18 0.00 -0.80 0.00 0.00 55.06 55.37 3ftg s HIS 67 Cb -0.12 0.42 0.04 0.00 -1.43 0.00 0.00 32.58 31.48 3ftg s HIS 67 CO 0.21 -0.51 0.48 -0.08 -2.00 0.00 0.00 174.74 172.84 3ftg s THR 68 N -1.09 0.04 0.23 -5.38 -1.32 -1.18 -0.01 115.64 106.93 3ftg s THR 68 Ca -0.08 -0.54 -0.21 0.00 -1.21 0.00 0.00 61.69 59.66 3ftg s THR 68 Cb -0.00 -1.28 -0.08 0.00 -1.51 0.00 0.00 72.50 69.62 3ftg s THR 68 CO 0.07 -0.18 0.76 -1.61 -2.21 0.00 0.00 174.62 171.44 3ftg s GLU 69 N -3.82 4.33 -0.13 7.08 2.02 -1.26 -1.81 118.70 125.12 3ftg s GLU 69 Ca 0.05 0.96 -0.27 0.00 0.02 0.00 0.00 54.97 55.73 3ftg s GLU 69 Cb 0.00 -2.91 0.07 0.00 0.10 0.00 0.00 34.13 31.39 3ftg s GLU 69 CO -0.09 0.40 0.66 -0.59 0.02 0.00 0.00 175.26 175.65 3ftg s PHE 70 N -1.50 -0.66 -0.63 1.61 -0.71 0.13 -4.90 117.98 111.32 3ftg s PHE 70 Ca 0.43 1.35 -0.10 0.00 -1.04 0.00 0.00 56.93 57.57 3ftg s PHE 70 Cb -0.18 0.33 0.16 0.00 -1.21 0.00 0.00 43.02 42.13 3ftg s PHE 70 CO 0.22 -0.50 0.52 0.99 -1.34 0.00 0.00 175.22 175.11 3ftg s THR 71 N -0.60 4.66 0.29 -4.49 2.01 -1.26 0.28 115.64 116.53 3ftg s THR 71 Ca -0.07 -2.25 -0.29 0.00 0.31 0.00 0.00 61.69 59.40 3ftg s THR 71 Cb -0.02 -3.98 -0.13 0.00 0.01 0.00 0.00 72.50 68.38 3ftg s THR 71 CO 0.06 -0.89 1.21 -0.81 -0.69 0.00 0.00 174.62 173.50 3ftg n PRO 72 N 4.32 1.80 -4.30 4.92 -0.04 -1.26 -4.74 135.00 135.69 3ftg n PRO 72 Ca 0.02 0.63 -0.16 0.00 -0.04 0.00 0.00 63.50 63.95 3ftg n PRO 72 Cb 0.42 -2.15 -0.10 0.00 -0.04 0.00 0.00 33.50 31.62 3ftg n PRO 72 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3ftg s THR 73 N -0.83 1.18 -0.77 0.52 -4.23 -1.26 -1.44 115.64 108.81 3ftg s THR 73 Ca 0.60 -2.07 0.16 0.00 -1.18 0.00 0.00 61.69 59.20 3ftg s THR 73 Cb -0.64 -2.10 0.76 0.00 1.34 0.00 0.00 72.50 71.86 3ftg s THR 73 CO 0.59 -0.54 1.67 -0.62 -0.54 0.00 0.00 174.62 175.18 3ftg n GLU 74 N -0.32 4.22 0.00 3.99 1.02 -1.26 -4.12 120.64 124.16 3ftg n GLU 74 Ca -0.08 -2.96 0.11 0.00 -0.02 0.00 0.00 57.16 54.21 3ftg n GLU 74 Cb 0.62 -2.06 0.05 0.00 -0.02 0.00 0.00 31.44 30.03 3ftg n GLU 74 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3ftg n THR 75 N 0.91 0.00 -4.29 2.62 -2.24 -1.26 -5.01 114.28 105.01 3ftg n THR 75 Ca 0.26 -0.07 -0.19 0.00 -2.27 0.00 0.00 64.05 61.78 3ftg n THR 75 Cb 1.02 0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 69.96 3ftg n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3ftg s ASP 76 N -2.83 2.31 0.00 3.42 1.01 -1.26 -5.13 116.67 114.19 3ftg s ASP 76 Ca 0.13 -0.89 -0.04 0.00 0.71 0.00 0.00 52.55 52.46 3ftg s ASP 76 Cb 0.17 -0.10 -0.04 0.00 1.01 0.00 0.00 42.92 43.95 3ftg s ASP 76 CO 0.73 -0.14 0.22 0.42 0.21 0.00 0.00 175.17 176.61 3ftg s THR 77 N -2.41 5.38 -0.04 -1.27 -4.23 -1.26 -4.90 115.64 106.90 3ftg s THR 77 Ca 0.15 -0.04 0.03 0.00 -1.18 0.00 0.00 61.69 60.65 3ftg s THR 77 Cb -0.03 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.26 3ftg s THR 77 CO 0.05 0.33 -0.14 -0.31 -0.54 0.00 0.00 174.62 174.00 3ftg s TYR 78 N -1.33 1.49 0.23 3.99 1.51 -1.26 -0.55 117.35 121.43 3ftg s TYR 78 Ca 0.28 -0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 55.86 3ftg s TYR 78 Cb -0.13 -1.03 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 3ftg s TYR 78 CO 0.18 -0.18 0.24 0.00 -1.11 0.00 0.00 175.55 174.69 3ftg s ALA 79 N 0.21 0.90 -0.03 3.71 0.00 -0.72 -0.48 121.76 125.35 3ftg s ALA 79 Ca -0.06 -1.55 0.07 0.00 0.00 0.00 0.00 51.96 50.43 3ftg s ALA 79 Cb -0.12 1.31 -0.02 0.00 0.00 0.00 0.00 23.12 24.30 3ftg s ALA 79 CO 0.02 -0.67 -0.25 0.00 0.00 0.00 0.00 175.76 174.86 3ftg s ARG 81 N -0.50 1.24 -0.04 0.00 3.52 0.62 -0.95 118.95 122.85 3ftg s ARG 81 Ca 0.06 -0.21 0.06 0.00 -0.13 0.00 0.00 55.73 55.52 3ftg s ARG 81 Cb -0.11 -1.22 -0.01 0.00 -1.56 0.00 0.00 34.95 32.04 3ftg s ARG 81 CO 0.00 -0.13 -0.23 0.08 -0.81 0.00 0.00 175.30 174.21 3ftg s VAL 82 N 1.20 1.88 -0.10 7.11 1.01 0.10 0.06 120.40 131.66 3ftg s VAL 82 Ca -0.06 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.96 3ftg s VAL 82 Cb -0.14 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.67 3ftg s VAL 82 CO -0.02 0.53 -0.15 -0.75 0.00 0.00 0.00 175.10 174.70 3ftg s LYS 83 N -0.22 2.19 -0.26 2.72 2.47 0.37 -1.19 119.74 125.82 3ftg s LYS 83 Ca -0.00 -0.56 -0.14 0.00 -1.56 0.00 0.00 55.97 53.70 3ftg s LYS 83 Cb -0.12 -1.83 0.08 0.00 -1.46 0.00 0.00 37.83 34.50 3ftg s LYS 83 CO 0.02 -0.03 0.64 -1.58 0.16 0.00 0.00 175.35 174.57 3ftg s HIS 84 N 0.87 -1.01 0.47 4.03 2.46 -1.26 -1.17 115.29 119.68 3ftg s HIS 84 Ca -0.09 2.01 0.42 0.00 0.47 0.00 0.00 55.06 57.87 3ftg s HIS 84 Cb -0.15 0.59 1.46 0.00 -0.13 0.00 0.00 32.58 34.34 3ftg s HIS 84 CO 0.00 -0.51 1.31 -0.25 -2.47 0.00 0.00 174.74 172.82 3ftg n ASP 85 N 4.39 0.00 0.00 9.88 8.00 -1.26 -0.12 116.55 137.44 3ftg n ASP 85 Ca -0.20 0.84 0.10 0.00 0.71 0.00 0.00 54.79 56.24 3ftg n ASP 85 Cb 0.58 -0.42 0.48 0.00 -0.02 0.00 0.00 41.12 41.74 3ftg n ASP 85 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3ftg n SER 86 N -3.62 0.00 -4.14 -2.24 3.41 -1.26 -4.67 113.62 101.11 3ftg n SER 86 Ca 0.37 0.33 -0.27 0.00 -0.26 0.00 0.00 58.87 59.04 3ftg n SER 86 Cb 1.69 -0.43 -0.16 0.00 -0.26 0.00 0.00 64.21 65.05 3ftg n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3ftg s MET 87 N -2.86 2.05 0.09 4.33 -1.94 0.83 -4.90 119.30 116.90 3ftg s MET 87 Ca 0.13 -0.64 -0.24 0.00 -1.71 0.00 0.00 55.69 53.23 3ftg s MET 87 Cb 0.14 -1.70 -0.14 0.00 2.01 0.00 0.00 34.83 35.13 3ftg s MET 87 CO 0.36 0.20 1.72 0.00 -0.01 0.00 0.00 175.02 177.29 3ftg h ALA 88 N 6.47 -0.10 -4.14 3.03 0.00 -1.85 -3.43 119.26 119.25 3ftg h ALA 88 Ca -0.30 -0.02 -0.69 0.00 0.00 0.00 0.00 54.91 53.90 3ftg h ALA 88 Cb 1.19 0.06 -0.24 0.00 0.00 0.00 0.00 17.79 18.79 3ftg h ALA 88 CO 0.47 -0.56 -0.86 -1.21 0.00 0.00 0.00 179.25 177.09 3ftg s GLU 89 N -6.17 1.78 0.53 0.00 0.41 -1.26 -5.05 118.70 108.94 3ftg s GLU 89 Ca -0.14 -1.13 -0.20 0.00 -0.41 0.00 0.00 54.97 53.10 3ftg s GLU 89 Cb 0.06 -2.01 -0.09 0.00 -1.78 0.00 0.00 34.13 30.31 3ftg s GLU 89 CO 0.66 0.51 0.68 -2.30 -0.49 0.00 0.00 175.26 174.31 3ftg n PRO 90 N 1.53 0.71 -4.26 0.39 -0.02 -1.26 -4.97 135.00 127.11 3ftg n PRO 90 Ca -0.17 0.27 -0.33 0.00 -2.02 0.00 0.00 63.50 61.25 3ftg n PRO 90 Cb 0.52 -1.81 -0.09 0.00 -0.02 0.00 0.00 33.50 32.11 3ftg n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ftg s LYS 91 N -2.12 2.89 -0.11 -0.52 2.47 -0.34 -4.92 119.74 117.10 3ftg s LYS 91 Ca 0.68 -0.54 -0.02 0.00 -1.56 0.00 0.00 55.97 54.54 3ftg s LYS 91 Cb -0.48 -2.74 0.04 0.00 -1.46 0.00 0.00 37.83 33.19 3ftg s LYS 91 CO 0.54 0.65 0.01 0.99 0.16 0.00 0.00 175.35 177.69 3ftg s THR 92 N -1.07 0.45 -0.11 3.43 2.01 -1.26 0.02 115.64 119.12 3ftg s THR 92 Ca 0.19 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.11 3ftg s THR 92 Cb -0.12 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 3ftg s THR 92 CO 0.09 0.14 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.37 3ftg s VAL 93 N 1.93 3.33 0.11 3.82 1.01 -0.13 -4.96 120.40 125.51 3ftg s VAL 93 Ca 0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 3ftg s VAL 93 Cb -0.13 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3ftg s VAL 93 CO -0.06 0.55 0.30 -0.31 0.00 0.00 0.00 175.10 175.57 3ftg s TYR 94 N -0.09 3.50 -0.08 5.22 1.51 -1.26 -1.05 117.35 125.10 3ftg s TYR 94 Ca -0.01 0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 56.15 3ftg s TYR 94 Cb -0.14 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.82 3ftg s TYR 94 CO 0.03 0.50 1.08 -0.46 -1.11 0.00 0.00 175.55 175.59 3ftg s TRP 95 N -1.60 3.40 -0.31 2.71 -0.00 0.37 -4.86 118.94 118.65 3ftg s TRP 95 Ca 0.38 1.46 -0.04 0.00 -0.00 0.00 0.00 56.10 57.90 3ftg s TRP 95 Cb -0.12 -3.27 0.04 0.00 -0.00 0.00 0.00 33.47 30.12 3ftg s TRP 95 CO 0.26 -0.62 0.04 0.34 -0.00 0.00 0.00 176.95 176.98 3ftg s ASP 96 N 1.23 5.05 0.67 5.86 -1.08 -1.26 -4.82 116.67 122.31 3ftg s ASP 96 Ca 0.51 -1.20 0.37 0.00 -0.52 0.00 0.00 52.55 51.71 3ftg s ASP 96 Cb -0.21 -1.77 2.03 0.00 -1.46 0.00 0.00 42.92 41.51 3ftg s ASP 96 CO 0.20 -0.28 2.15 0.08 0.52 0.00 0.00 175.17 177.83 3ftg h ARG 97 N 8.09 0.00 -0.27 4.34 0.11 -1.96 0.41 114.38 125.09 3ftg h ARG 97 Ca -0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.86 3ftg h ARG 97 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 3ftg h ARG 97 CO 0.56 0.00 0.00 -3.47 0.10 0.00 0.00 179.97 177.16 3ftg n ASP 98 N -3.01 1.67 0.00 0.08 -0.08 -1.26 -4.77 116.55 109.18 3ftg n ASP 98 Ca -0.02 -1.90 0.00 0.00 -1.51 0.00 0.00 54.79 51.36 3ftg n ASP 98 Cb 0.23 -0.18 0.00 0.00 2.34 0.00 0.00 41.12 43.51 3ftg n ASP 98 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55