#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6l s ILE 2 N 0.00 2.70 -0.30 5.18 1.01 -1.26 -5.03 121.20 123.49 1f6l s ILE 2 Ca 0.00 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 59.66 1f6l s ILE 2 Cb 0.00 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1f6l s ILE 2 CO 0.00 0.57 0.38 -1.58 0.00 0.00 0.00 174.94 174.31 1f6l s GLN 3 N -0.30 3.83 -0.20 2.79 0.74 -1.26 -4.89 119.66 120.37 1f6l s GLN 3 Ca 0.02 -0.13 -0.11 0.00 0.05 0.00 0.00 55.36 55.18 1f6l s GLN 3 Cb -0.13 -3.72 -0.05 0.00 1.10 0.00 0.00 33.01 30.21 1f6l s GLN 3 CO 0.03 -0.39 0.18 -1.64 -0.55 0.00 0.00 175.29 172.91 1f6l s MET 4 N 2.08 4.17 -0.29 1.67 -1.94 -1.26 -1.08 119.30 122.65 1f6l s MET 4 Ca 0.14 -0.16 0.03 0.00 -1.71 0.00 0.00 55.69 54.00 1f6l s MET 4 Cb -0.16 -3.46 0.08 0.00 2.01 0.00 0.00 34.83 33.30 1f6l s MET 4 CO 0.11 0.21 -0.04 0.99 -0.01 0.00 0.00 175.02 176.28 1f6l s THR 5 N 0.60 2.24 0.21 2.05 2.01 0.69 -4.49 115.64 118.96 1f6l s THR 5 Ca 0.10 -1.90 -0.02 0.00 0.31 0.00 0.00 61.69 60.18 1f6l s THR 5 Cb -0.12 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 1f6l s THR 5 CO 0.01 -0.25 0.41 -1.58 -0.69 0.00 0.00 174.62 172.53 1f6l s GLN 6 N 1.03 3.54 -0.18 4.92 0.74 -1.26 -0.39 119.66 128.06 1f6l s GLN 6 Ca -0.01 -0.27 -0.30 0.00 0.05 0.00 0.00 55.36 54.82 1f6l s GLN 6 Cb -0.20 -2.81 0.14 0.00 1.10 0.00 0.00 33.01 31.25 1f6l s GLN 6 CO -0.06 0.38 1.09 -1.54 -0.55 0.00 0.00 175.29 174.61 1f6l s SER 7 N -3.12 -0.27 0.98 6.67 1.04 -0.27 -4.74 113.70 113.99 1f6l s SER 7 Ca 0.39 0.26 -0.15 0.00 0.48 0.00 0.00 55.95 56.94 1f6l s SER 7 Cb -0.11 0.23 0.18 0.00 0.10 0.00 0.00 66.02 66.42 1f6l s SER 7 CO 0.29 -0.28 1.18 -2.16 0.98 0.00 0.00 173.24 173.25 1f6l s PRO 8 N -1.32 0.58 0.01 4.02 0.04 -1.26 -1.15 135.00 135.92 1f6l s PRO 8 Ca 0.02 0.02 -0.24 0.00 0.04 0.00 0.00 61.00 60.83 1f6l s PRO 8 Cb -0.01 -1.80 -0.18 0.00 0.04 0.00 0.00 34.50 32.56 1f6l s PRO 8 CO -0.02 -2.53 1.39 0.00 0.04 0.00 0.00 177.00 175.89 1f6l h ALA 9 N -1.73 0.04 -2.52 8.56 0.00 -1.85 -3.40 119.26 118.36 1f6l h ALA 9 Ca -0.47 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.14 1f6l h ALA 9 Cb 1.30 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.89 1f6l h ALA 9 CO 0.50 -0.26 -0.24 -1.54 0.00 0.00 0.00 179.25 177.71 1f6l s SER 10 N -5.63 -0.17 0.02 0.00 1.04 -1.26 -0.30 113.70 107.40 1f6l s SER 10 Ca -0.15 -0.04 -0.06 0.00 0.48 0.00 0.00 55.95 56.18 1f6l s SER 10 Cb 0.03 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1f6l s SER 10 CO 0.68 -0.54 0.10 -1.48 0.98 0.00 0.00 173.24 172.98 1f6l s LEU 11 N -1.71 1.73 -0.15 2.42 2.34 -0.63 -4.93 118.68 117.76 1f6l s LEU 11 Ca -0.09 -0.38 0.02 0.00 0.06 0.00 0.00 54.13 53.74 1f6l s LEU 11 Cb -0.03 0.59 0.01 0.00 -0.56 0.00 0.00 46.19 46.21 1f6l s LEU 11 CO 0.00 -0.43 -0.20 -0.55 -1.06 0.00 0.00 176.35 174.12 1f6l s SER 12 N -1.73 2.97 0.24 1.48 0.15 -1.26 -1.72 113.70 113.84 1f6l s SER 12 Ca -0.11 -0.58 0.05 0.00 0.70 0.00 0.00 55.95 56.02 1f6l s SER 12 Cb -0.05 -1.37 -0.02 0.00 -1.71 0.00 0.00 66.02 62.87 1f6l s SER 12 CO -0.01 0.03 0.19 0.00 1.20 0.00 0.00 173.24 174.65 1f6l n ALA 13 N 4.31 0.50 -2.46 5.45 0.00 -0.76 -5.00 120.51 122.55 1f6l n ALA 13 Ca -0.20 -1.39 -0.21 0.00 0.00 0.00 0.00 53.44 51.64 1f6l n ALA 13 Cb 0.51 1.11 -0.11 0.00 0.00 0.00 0.00 19.45 20.96 1f6l n ALA 13 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1f6l s SER 14 N -2.66 2.58 0.21 0.00 0.01 -1.26 -3.95 113.70 108.62 1f6l s SER 14 Ca 0.27 -0.85 -0.31 0.00 1.31 0.00 0.00 55.95 56.37 1f6l s SER 14 Cb 0.01 -0.14 -0.15 0.00 0.21 0.00 0.00 66.02 65.95 1f6l s SER 14 CO 0.19 -0.05 1.15 0.52 0.41 0.00 0.00 173.24 175.46 1f6l n VAL 15 N 0.35 1.20 0.00 3.43 0.31 -1.26 -1.87 118.33 120.49 1f6l n VAL 15 Ca -0.14 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1f6l n VAL 15 Cb 0.57 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 1f6l n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1f6l n GLY 16 N 1.82 3.40 2.31 2.92 0.00 0.09 -4.86 105.19 110.87 1f6l n GLY 16 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 1f6l n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f6l n GLU 17 N -1.77 -0.72 -4.66 1.61 1.02 -0.78 -3.87 120.64 111.47 1f6l n GLU 17 Ca 0.00 -1.25 -0.25 0.00 -0.02 0.00 0.00 57.16 55.64 1f6l n GLU 17 Cb 0.00 -0.79 -0.16 0.00 -0.02 0.00 0.00 31.44 30.46 1f6l n GLU 17 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1f6l s THR 18 N -2.68 1.21 0.15 2.62 2.01 -1.26 -0.79 115.64 116.90 1f6l s THR 18 Ca 0.45 -0.55 0.06 0.00 0.31 0.00 0.00 61.69 61.96 1f6l s THR 18 Cb -0.01 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1f6l s THR 18 CO 0.31 0.37 -0.14 0.68 -0.69 0.00 0.00 174.62 175.15 1f6l s VAL 19 N 0.41 1.46 -0.08 3.82 -7.23 -0.82 -4.99 120.40 112.97 1f6l s VAL 19 Ca -0.10 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1f6l s VAL 19 Cb -0.14 -1.72 0.02 0.00 0.56 0.00 0.00 36.38 35.10 1f6l s VAL 19 CO 0.03 -0.48 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.35 1f6l s THR 20 N -2.46 1.01 -0.03 5.32 2.01 -1.26 -1.08 115.64 119.15 1f6l s THR 20 Ca 0.14 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 61.81 1f6l s THR 20 Cb -0.03 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 1f6l s THR 20 CO 0.04 0.34 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.58 1f6l s ILE 21 N 1.15 3.39 0.15 1.82 1.01 -0.16 -4.75 121.20 123.81 1f6l s ILE 21 Ca -0.06 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 59.96 1f6l s ILE 21 Cb -0.14 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 1f6l s ILE 21 CO -0.02 0.52 -0.15 0.42 0.00 0.00 0.00 174.94 175.72 1f6l s THR 22 N -0.84 1.48 -0.02 2.92 -4.23 -0.30 -0.55 115.64 114.10 1f6l s THR 22 Ca 0.13 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1f6l s THR 22 Cb -0.11 -1.72 0.03 0.00 1.34 0.00 0.00 72.50 72.04 1f6l s THR 22 CO 0.03 -0.46 0.02 0.00 -0.54 0.00 0.00 174.62 173.67 1f6l s ARG 24 N 1.05 2.63 0.01 0.00 3.52 0.47 -1.33 118.95 125.31 1f6l s ARG 24 Ca -0.09 -0.63 0.03 0.00 -0.13 0.00 0.00 55.73 54.91 1f6l s ARG 24 Cb -0.13 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.72 1f6l s ARG 24 CO -0.03 0.64 -0.03 0.00 -0.81 0.00 0.00 175.30 175.07 1f6l s ALA 25 N -0.82 3.16 0.30 6.12 0.00 0.29 -0.22 121.76 130.59 1f6l s ALA 25 Ca 0.13 -1.01 0.32 0.00 0.00 0.00 0.00 51.96 51.40 1f6l s ALA 25 Cb -0.11 -1.22 1.48 0.00 0.00 0.00 0.00 23.12 23.27 1f6l s ALA 25 CO 0.02 0.64 2.05 0.66 0.00 0.00 0.00 175.76 179.13 1f6l h SER 26 N 4.30 0.00 -4.04 0.00 4.64 -1.45 -3.45 113.55 113.55 1f6l h SER 26 Ca -0.49 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.35 1f6l h SER 26 Cb 1.17 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 1f6l h SER 26 CO 0.56 0.08 -0.54 -0.70 -0.87 0.00 0.00 176.83 175.36 1f6l s GLU 27 N -3.92 1.76 0.15 4.77 2.12 -1.26 -4.97 118.70 117.34 1f6l s GLU 27 Ca -0.01 -2.03 -0.28 0.00 0.36 0.00 0.00 54.97 53.00 1f6l s GLU 27 Cb 0.11 -0.34 -0.07 0.00 0.26 0.00 0.00 34.13 34.09 1f6l s GLU 27 CO 0.55 -0.46 0.88 1.21 -0.54 0.00 0.00 175.26 176.90 1f6l s ASN 28 N -3.48 7.47 -0.00 -1.70 3.84 -1.26 -4.58 114.94 115.22 1f6l s ASN 28 Ca 0.31 1.75 0.00 0.00 0.21 0.00 0.00 52.86 55.13 1f6l s ASN 28 Cb 0.04 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 38.19 1f6l s ASN 28 CO 0.17 0.08 0.71 2.30 -2.79 0.00 0.00 177.10 177.57 1f6l n ILE 29 N 2.14 0.41 0.00 -5.21 -5.35 -0.47 -5.02 119.36 105.86 1f6l n ILE 29 Ca -0.02 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1f6l n ILE 29 Cb 0.49 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 1f6l n ILE 29 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1f6l n TYR 30 N -0.21 0.00 -0.56 4.28 4.02 -1.23 -1.86 117.16 121.59 1f6l n TYR 30 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 1f6l n TYR 30 Cb 0.42 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.75 1f6l n TYR 30 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1f6l n SER 31 N 9.74 1.24 -4.04 7.72 7.64 -1.26 -0.65 113.62 134.00 1f6l n SER 31 Ca 0.00 -1.77 -0.43 0.00 1.01 0.00 0.00 58.87 57.69 1f6l n SER 31 Cb 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1f6l n SER 31 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1f6l n TYR 32 N -0.39 3.86 -3.74 1.43 4.01 -0.78 -2.04 117.16 119.51 1f6l n TYR 32 Ca 0.02 -2.94 -0.13 0.00 -0.16 0.00 0.00 57.90 54.69 1f6l n TYR 32 Cb 0.40 -2.43 -0.13 0.00 -0.31 0.00 0.00 39.34 36.86 1f6l n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1f6l s LEU 33 N 2.24 0.50 0.19 7.72 1.98 -1.26 -0.31 118.68 129.74 1f6l s LEU 33 Ca 0.47 0.50 0.08 0.00 -2.89 0.00 0.00 54.13 52.28 1f6l s LEU 33 Cb 0.09 0.71 -0.05 0.00 0.66 0.00 0.00 46.19 47.60 1f6l s LEU 33 CO -0.02 -0.16 -0.15 0.00 -1.89 0.00 0.00 176.35 174.14 1f6l s ALA 34 N 1.15 1.94 -0.04 5.97 0.00 0.24 -0.62 121.76 130.41 1f6l s ALA 34 Ca -0.08 -1.60 0.07 0.00 0.00 0.00 0.00 51.96 50.35 1f6l s ALA 34 Cb -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1f6l s ALA 34 CO -0.08 0.08 -0.26 -1.58 0.00 0.00 0.00 175.76 173.93 1f6l s TRP 35 N -2.80 2.37 0.15 0.00 0.52 0.23 -0.58 118.94 118.84 1f6l s TRP 35 Ca 0.20 -0.56 0.11 0.00 0.02 0.00 0.00 56.10 55.87 1f6l s TRP 35 Cb -0.02 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 1f6l s TRP 35 CO 0.06 -0.11 -0.25 0.71 0.02 0.00 0.00 176.95 177.38 1f6l s TYR 36 N -0.43 2.24 -0.04 -1.98 1.51 0.23 -1.33 117.35 117.55 1f6l s TYR 36 Ca 0.04 -0.38 0.05 0.00 -1.01 0.00 0.00 57.07 55.78 1f6l s TYR 36 Cb -0.12 -1.17 -0.02 0.00 -0.11 0.00 0.00 41.96 40.54 1f6l s TYR 36 CO 0.01 0.38 -0.19 -1.14 -1.11 0.00 0.00 175.55 173.51 1f6l s GLN 37 N -2.30 2.39 -0.08 -0.62 0.74 0.20 -1.28 119.66 118.71 1f6l s GLN 37 Ca 0.16 -0.79 -0.03 0.00 0.05 0.00 0.00 55.36 54.76 1f6l s GLN 37 Cb -0.09 -2.26 0.04 0.00 1.10 0.00 0.00 33.01 31.80 1f6l s GLN 37 CO 0.07 0.58 0.06 -1.14 -0.55 0.00 0.00 175.29 174.31 1f6l s GLN 38 N -0.64 0.07 0.31 1.67 0.74 -0.11 0.17 119.66 121.87 1f6l s GLN 38 Ca 0.10 0.21 0.08 0.00 0.05 0.00 0.00 55.36 55.79 1f6l s GLN 38 Cb -0.11 -0.93 -0.06 0.00 1.10 0.00 0.00 33.01 33.02 1f6l s GLN 38 CO 0.00 -0.41 -0.07 -1.59 -0.55 0.00 0.00 175.29 172.67 1f6l s LYS 39 N 2.12 1.65 4.91 1.67 -2.85 -1.26 -0.90 119.74 125.08 1f6l s LYS 39 Ca 0.04 -1.85 0.00 0.00 -1.00 0.00 0.00 55.97 53.16 1f6l s LYS 39 Cb -0.13 -1.35 0.00 0.00 -2.06 0.00 0.00 37.83 34.29 1f6l s LYS 39 CO -0.05 0.07 0.00 1.04 0.10 0.00 0.00 175.35 176.51 1f6l n GLN 40 N -0.67 0.00 -3.17 1.78 6.02 -1.26 -2.23 117.38 117.85 1f6l n GLN 40 Ca -0.05 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.70 1f6l n GLN 40 Cb 0.64 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.84 1f6l n GLN 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1f6l n GLY 41 N 0.00 4.21 3.53 1.08 0.00 -1.26 -5.07 105.19 107.67 1f6l n GLY 41 Ca 0.00 -2.18 -0.25 0.00 0.00 0.00 0.00 46.02 43.60 1f6l n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f6l s LYS 42 N -2.42 1.82 0.76 1.61 1.02 -0.94 -5.13 119.74 116.46 1f6l s LYS 42 Ca 0.41 -2.06 -0.11 0.00 0.02 0.00 0.00 55.97 54.24 1f6l s LYS 42 Cb 0.25 -1.02 0.05 0.00 -0.52 0.00 0.00 37.83 36.59 1f6l s LYS 42 CO -0.09 -0.24 1.09 -1.54 -0.92 0.00 0.00 175.35 173.65 1f6l s SER 43 N -3.59 4.57 0.18 2.83 1.04 -1.26 -4.67 113.70 112.79 1f6l s SER 43 Ca 0.30 1.82 -0.30 0.00 0.48 0.00 0.00 55.95 58.25 1f6l s SER 43 Cb 0.07 -2.52 -0.09 0.00 0.10 0.00 0.00 66.02 63.58 1f6l s SER 43 CO 0.14 -1.99 1.35 -2.84 0.98 0.00 0.00 173.24 170.88 1f6l s PRO 44 N -4.87 4.35 -0.03 4.02 0.02 -1.26 -4.74 135.00 132.50 1f6l s PRO 44 Ca 0.61 2.09 -0.11 0.00 0.02 0.00 0.00 61.00 63.61 1f6l s PRO 44 Cb -0.17 -3.20 -0.05 0.00 0.02 0.00 0.00 34.50 31.10 1f6l s PRO 44 CO 0.55 -0.33 0.31 -0.65 -0.33 0.00 0.00 177.00 176.55 1f6l s GLN 45 N 0.21 3.71 -0.22 5.54 -1.52 0.46 -4.83 119.66 123.00 1f6l s GLN 45 Ca 0.59 0.15 -0.29 0.00 -1.95 0.00 0.00 55.36 53.87 1f6l s GLN 45 Cb -0.37 -3.17 0.01 0.00 -0.22 0.00 0.00 33.01 29.26 1f6l s GLN 45 CO 0.36 0.70 1.02 -1.17 -0.25 0.00 0.00 175.29 175.96 1f6l s LEU 46 N -1.24 4.11 -0.17 2.90 2.96 -1.26 0.61 118.68 126.59 1f6l s LEU 46 Ca 0.22 1.37 -0.14 0.00 -0.22 0.00 0.00 54.13 55.37 1f6l s LEU 46 Cb -0.14 -3.52 -0.06 0.00 0.50 0.00 0.00 46.19 42.96 1f6l s LEU 46 CO 0.11 -0.64 -0.22 0.18 -1.32 0.00 0.00 176.35 174.46 1f6l n LEU 47 N 6.16 1.87 -3.86 -0.68 4.77 -0.44 -4.65 117.00 120.17 1f6l n LEU 47 Ca 0.11 0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 56.45 1f6l n LEU 47 Cb 0.46 -0.83 -0.14 0.00 -2.33 0.00 0.00 43.42 40.59 1f6l n LEU 47 CO 0.52 -0.25 -0.33 -0.69 -1.33 0.00 0.00 177.39 175.31 1f6l s VAL 48 N -2.53 -0.00 0.26 4.08 1.01 -1.17 -1.03 120.40 121.02 1f6l s VAL 48 Ca -0.23 0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1f6l s VAL 48 Cb 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 36.38 36.31 1f6l s VAL 48 CO 0.35 0.00 0.04 -0.72 0.00 0.00 0.00 175.10 174.77 1f6l s TYR 49 N 0.02 1.65 -1.46 5.22 1.13 -0.42 0.75 117.35 124.24 1f6l s TYR 49 Ca -0.00 -1.00 -0.12 0.00 -1.41 0.00 0.00 57.07 54.55 1f6l s TYR 49 Cb -0.00 -0.99 0.05 0.00 -1.10 0.00 0.00 41.96 39.92 1f6l s TYR 49 CO 0.00 -0.10 1.06 0.09 -2.51 0.00 0.00 175.55 174.09 1f6l n ASN 50 N -0.49 -5.35 0.00 -0.18 5.03 -0.92 -1.30 115.26 112.04 1f6l n ASN 50 Ca -0.03 -0.68 0.00 0.00 0.87 0.00 0.00 54.58 54.74 1f6l n ASN 50 Cb 0.65 -4.36 0.00 0.00 -1.02 0.00 0.00 39.78 35.05 1f6l n ASN 50 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1f6l n ALA 51 N -4.81 0.00 -1.88 5.41 0.00 0.21 -4.15 120.51 115.30 1f6l n ALA 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1f6l n ALA 51 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1f6l n ALA 51 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1f6l n LYS 52 N 0.00 0.00 -3.49 0.00 2.85 -1.22 -2.91 118.16 113.39 1f6l n LYS 52 Ca 0.00 -0.92 -0.39 0.00 -1.05 0.00 0.00 58.31 55.95 1f6l n LYS 52 Cb 0.00 -0.49 -0.10 0.00 -0.65 0.00 0.00 35.03 33.79 1f6l n LYS 52 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1f6l s THR 53 N 0.00 5.24 0.73 0.58 2.01 -0.42 -4.63 115.64 119.15 1f6l s THR 53 Ca 0.00 0.17 -0.13 0.00 0.31 0.00 0.00 61.69 62.04 1f6l s THR 53 Cb 0.00 -3.66 0.04 0.00 0.01 0.00 0.00 72.50 68.89 1f6l s THR 53 CO 0.00 0.11 1.14 -0.76 -0.69 0.00 0.00 174.62 174.42 1f6l s LEU 54 N 1.88 3.23 0.37 4.42 1.43 -1.26 -1.30 118.68 127.46 1f6l s LEU 54 Ca 0.10 2.09 0.05 0.00 -1.03 0.00 0.00 54.13 55.33 1f6l s LEU 54 Cb -0.16 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.49 1f6l s LEU 54 CO 0.11 -2.07 0.54 0.00 0.23 0.00 0.00 176.35 175.15 1f6l s ALA 55 N -2.40 4.09 0.12 4.21 0.00 -0.20 -4.84 121.76 122.75 1f6l s ALA 55 Ca 0.68 -1.34 -0.35 0.00 0.00 0.00 0.00 51.96 50.95 1f6l s ALA 55 Cb -0.22 -1.82 -0.15 0.00 0.00 0.00 0.00 23.12 20.93 1f6l s ALA 55 CO 0.47 -0.15 1.52 -1.91 0.00 0.00 0.00 175.76 175.70 1f6l n GLU 56 N -1.78 1.82 -2.52 0.00 4.07 -1.26 -2.04 120.64 118.92 1f6l n GLU 56 Ca 0.01 0.66 -0.17 0.00 -0.06 0.00 0.00 57.16 57.60 1f6l n GLU 56 Cb 0.58 -2.39 0.01 0.00 -0.06 0.00 0.00 31.44 29.57 1f6l n GLU 56 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1f6l n GLY 57 N 3.21 -0.27 3.45 8.31 0.00 -1.26 -5.00 105.19 113.63 1f6l n GLY 57 Ca 0.18 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1f6l n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f6l s VAL 58 N -2.90 4.25 0.60 1.61 1.01 -0.87 -5.07 120.40 119.03 1f6l s VAL 58 Ca 0.10 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 1f6l s VAL 58 Cb -0.04 -2.98 -0.13 0.00 0.00 0.00 0.00 36.38 33.23 1f6l s VAL 58 CO 0.12 0.36 -0.03 -2.65 0.00 0.00 0.00 175.10 172.90 1f6l n PRO 59 N 4.76 0.12 0.18 2.72 -0.02 -1.26 -4.85 135.00 136.65 1f6l n PRO 59 Ca -0.16 0.05 0.14 0.00 -2.02 0.00 0.00 63.50 61.50 1f6l n PRO 59 Cb 0.51 -1.20 0.45 0.00 -0.02 0.00 0.00 33.50 33.25 1f6l n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1f6l h SER 60 N -0.12 0.00 0.28 2.55 4.64 -2.00 -3.10 113.55 115.79 1f6l h SER 60 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1f6l h SER 60 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1f6l h SER 60 CO 0.41 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.26 1f6l n ARG 61 N -2.64 0.17 -3.68 4.77 1.85 -1.26 -4.57 116.66 111.31 1f6l n ARG 61 Ca 0.03 0.17 -0.36 0.00 -1.00 0.00 0.00 57.85 56.69 1f6l n ARG 61 Cb 0.36 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.18 1f6l n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1f6l s PHE 62 N -2.62 3.32 -0.10 2.89 0.08 -1.18 -1.21 117.98 119.16 1f6l s PHE 62 Ca 0.12 0.23 -0.04 0.00 0.12 0.00 0.00 56.93 57.36 1f6l s PHE 62 Cb 0.09 -2.25 0.05 0.00 -0.57 0.00 0.00 43.02 40.34 1f6l s PHE 62 CO 0.21 0.09 0.21 -1.54 -0.10 0.00 0.00 175.22 174.09 1f6l s SER 63 N 0.97 0.07 0.18 1.36 1.04 -0.95 -4.95 113.70 111.43 1f6l s SER 63 Ca 0.07 0.46 0.05 0.00 0.48 0.00 0.00 55.95 57.02 1f6l s SER 63 Cb -0.13 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1f6l s SER 63 CO 0.04 -0.19 0.16 -0.83 0.98 0.00 0.00 173.24 173.39 1f6l s GLY 64 N 1.67 1.65 0.25 7.32 0.00 -1.26 -0.58 107.32 116.36 1f6l s GLY 64 Ca -0.05 -1.24 -0.16 0.00 0.00 0.00 0.00 44.72 43.27 1f6l s GLY 64 CO -0.08 -1.26 0.55 -1.35 0.00 0.00 0.00 173.10 170.97 1f6l s SER 65 N -3.26 -0.17 0.00 1.64 1.04 0.10 -4.32 113.70 108.74 1f6l s SER 65 Ca 0.31 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1f6l s SER 65 Cb -0.10 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1f6l s SER 65 CO 0.24 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1f6l n GLY 66 N -0.40 3.06 3.58 7.32 0.00 -1.26 -0.77 105.19 116.72 1f6l n GLY 66 Ca -0.04 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 1f6l n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f6l s SER 67 N 0.00 -0.53 0.00 1.61 1.04 -0.87 -4.86 113.70 110.08 1f6l s SER 67 Ca 0.00 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1f6l s SER 67 Cb 0.00 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1f6l s SER 67 CO 0.00 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1f6l n GLY 68 N 1.45 1.42 0.00 7.32 0.00 0.17 -3.92 105.19 111.63 1f6l n GLY 68 Ca -0.14 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1f6l n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1f6l n THR 69 N 0.00 0.00 -4.33 2.61 -2.24 -1.26 -1.36 114.28 107.70 1f6l n THR 69 Ca 0.00 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.22 1f6l n THR 69 Cb 0.00 0.74 -0.14 0.00 -2.10 0.00 0.00 70.33 68.84 1f6l n THR 69 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1f6l s GLN 70 N -1.10 3.47 0.03 -0.78 -1.52 -1.25 -0.55 119.66 117.95 1f6l s GLN 70 Ca 0.00 -0.61 -0.02 0.00 -1.95 0.00 0.00 55.36 52.78 1f6l s GLN 70 Cb 0.00 -2.86 -0.02 0.00 -0.22 0.00 0.00 33.01 29.91 1f6l s GLN 70 CO 0.00 0.06 0.00 -0.06 -0.25 0.00 0.00 175.29 175.05 1f6l s PHE 71 N 0.79 0.29 -0.09 0.91 0.40 -0.44 -2.05 117.98 117.77 1f6l s PHE 71 Ca -0.03 -0.61 -0.13 0.00 -0.60 0.00 0.00 56.93 55.57 1f6l s PHE 71 Cb -0.15 -0.21 0.03 0.00 0.51 0.00 0.00 43.02 43.20 1f6l s PHE 71 CO 0.02 -0.27 0.33 -1.54 0.70 0.00 0.00 175.22 174.46 1f6l s SER 72 N -1.87 -0.30 -0.20 1.36 1.04 0.05 -0.87 113.70 112.90 1f6l s SER 72 Ca -0.09 0.50 -0.05 0.00 0.48 0.00 0.00 55.95 56.79 1f6l s SER 72 Cb -0.05 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 1f6l s SER 72 CO -0.03 -0.22 -0.01 -0.22 0.98 0.00 0.00 173.24 173.74 1f6l s LEU 73 N -0.28 3.19 -0.06 2.42 2.96 0.29 -0.72 118.68 126.48 1f6l s LEU 73 Ca -0.04 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 1f6l s LEU 73 Cb -0.03 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1f6l s LEU 73 CO 0.02 0.05 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.25 1f6l s LYS 74 N 1.10 2.65 -0.16 1.98 2.20 0.25 -0.99 119.74 126.78 1f6l s LYS 74 Ca 0.02 -0.60 0.01 0.00 -0.36 0.00 0.00 55.97 55.04 1f6l s LYS 74 Cb -0.14 -2.51 0.02 0.00 -1.51 0.00 0.00 37.83 33.68 1f6l s LYS 74 CO 0.01 0.65 -0.19 0.42 -0.36 0.00 0.00 175.35 175.89 1f6l s ILE 75 N -0.78 1.88 -0.01 5.43 1.01 -0.24 -2.24 121.20 126.25 1f6l s ILE 75 Ca 0.12 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.83 1f6l s ILE 75 Cb -0.11 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 1f6l s ILE 75 CO 0.01 0.51 0.31 0.20 0.00 0.00 0.00 174.94 175.97 1f6l s ASN 76 N 1.21 6.60 -0.53 3.58 0.01 -0.35 -1.95 114.94 123.51 1f6l s ASN 76 Ca 0.01 0.71 -0.31 0.00 -0.71 0.00 0.00 52.86 52.57 1f6l s ASN 76 Cb -0.14 -2.15 0.05 0.00 0.41 0.00 0.00 41.25 39.42 1f6l s ASN 76 CO -0.09 0.30 0.65 -1.20 -1.51 0.00 0.00 177.10 175.25 1f6l n SER 77 N 1.48 -5.43 -4.61 -1.22 7.64 0.03 -4.70 113.62 106.81 1f6l n SER 77 Ca -0.13 -0.31 -0.50 0.00 1.01 0.00 0.00 58.87 58.94 1f6l n SER 77 Cb 0.53 -1.75 -0.05 0.00 -1.01 0.00 0.00 64.21 61.92 1f6l n SER 77 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f6l n LEU 78 N -0.70 2.07 -4.92 -3.43 4.32 -0.16 -4.50 117.00 109.68 1f6l n LEU 78 Ca -0.13 1.11 -0.30 0.00 -0.02 0.00 0.00 56.01 56.68 1f6l n LEU 78 Cb 0.68 -1.27 -0.04 0.00 -1.62 0.00 0.00 43.42 41.18 1f6l n LEU 78 CO 0.57 -0.85 -0.06 -1.58 -1.22 0.00 0.00 177.39 174.25 1f6l s GLN 79 N 0.45 3.51 0.54 3.23 2.00 -1.26 -0.73 119.66 127.40 1f6l s GLN 79 Ca 0.81 -0.34 0.25 0.00 -2.00 0.00 0.00 55.36 54.07 1f6l s GLN 79 Cb -0.86 -2.94 1.42 0.00 0.80 0.00 0.00 33.01 31.44 1f6l s GLN 79 CO 0.45 0.52 2.03 -1.00 -0.50 0.00 0.00 175.29 176.79 1f6l h PRO 80 N 2.68 0.00 0.00 1.67 0.13 -1.99 -1.43 132.00 133.06 1f6l h PRO 80 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1f6l h PRO 80 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1f6l h PRO 80 CO 0.73 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.65 1f6l n GLU 81 N -4.27 0.14 0.00 0.86 0.00 -1.26 -3.42 120.64 112.68 1f6l n GLU 81 Ca 0.06 0.27 0.15 0.00 0.00 0.00 0.00 57.16 57.64 1f6l n GLU 81 Cb 0.48 -1.71 0.85 0.00 0.00 0.00 0.00 31.44 31.06 1f6l n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1f6l n ASP 82 N -1.96 0.00 -4.69 -1.84 8.00 -0.54 -4.81 116.55 110.70 1f6l n ASP 82 Ca 0.04 -0.62 -0.42 0.00 0.71 0.00 0.00 54.79 54.50 1f6l n ASP 82 Cb 0.28 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1f6l n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1f6l s PHE 83 N -2.24 3.53 -2.52 1.24 0.08 -1.22 -4.87 117.98 111.98 1f6l s PHE 83 Ca 0.39 1.58 0.00 0.00 0.12 0.00 0.00 56.93 59.01 1f6l s PHE 83 Cb 0.21 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.51 1f6l s PHE 83 CO 0.40 -0.18 0.00 0.41 -0.10 0.00 0.00 175.22 175.75 1f6l n GLY 84 N 3.09 -0.65 3.70 4.36 0.00 -1.09 -4.83 105.19 109.76 1f6l n GLY 84 Ca 0.08 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 1f6l n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f6l s SER 85 N -4.00 5.18 -0.06 1.61 0.01 -0.08 -0.74 113.70 115.62 1f6l s SER 85 Ca 0.00 -0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.27 1f6l s SER 85 Cb 0.00 -1.35 0.00 0.00 0.21 0.00 0.00 66.02 64.89 1f6l s SER 85 CO 0.00 0.25 -0.16 -0.31 0.41 0.00 0.00 173.24 173.44 1f6l s TYR 86 N -1.16 1.69 -0.01 2.43 1.51 -0.38 -0.94 117.35 120.50 1f6l s TYR 86 Ca 0.22 -0.57 0.05 0.00 -1.01 0.00 0.00 57.07 55.75 1f6l s TYR 86 Cb -0.12 -1.17 -0.01 0.00 -0.11 0.00 0.00 41.96 40.55 1f6l s TYR 86 CO 0.13 -0.24 -0.15 0.71 -1.11 0.00 0.00 175.55 174.88 1f6l s TYR 87 N 0.33 1.39 0.08 2.71 2.02 -0.41 -1.85 117.35 121.62 1f6l s TYR 87 Ca -0.10 -0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 1f6l s TYR 87 Cb -0.14 -0.89 -0.04 0.00 -0.40 0.00 0.00 41.96 40.49 1f6l s TYR 87 CO 0.04 -0.03 0.09 0.00 -1.57 0.00 0.00 175.55 174.08 1f6l s GLN 89 N -2.40 0.15 0.22 0.00 0.74 0.26 -0.99 119.66 117.64 1f6l s GLN 89 Ca 0.30 0.50 -0.30 0.00 0.05 0.00 0.00 55.36 55.91 1f6l s GLN 89 Cb -0.12 -0.14 -0.09 0.00 1.10 0.00 0.00 33.01 33.76 1f6l s GLN 89 CO 0.23 -0.19 0.95 -3.38 -0.55 0.00 0.00 175.29 172.35 1f6l s HIS 90 N 1.42 3.95 -0.46 1.67 -3.43 -1.16 -0.59 115.29 116.69 1f6l s HIS 90 Ca -0.07 1.89 0.03 0.00 -0.80 0.00 0.00 55.06 56.11 1f6l s HIS 90 Cb -0.11 -3.00 0.44 0.00 -1.43 0.00 0.00 32.58 28.48 1f6l s HIS 90 CO -0.08 0.38 1.49 0.72 -2.00 0.00 0.00 174.74 175.26 1f6l n HIS 91 N 1.66 3.00 0.00 0.38 -0.00 0.57 -4.26 115.22 116.57 1f6l n HIS 91 Ca -0.01 -2.59 0.00 0.00 -0.00 0.00 0.00 57.72 55.12 1f6l n HIS 91 Cb 0.47 -0.70 0.00 0.00 -0.00 0.00 0.00 29.99 29.76 1f6l n HIS 91 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 1f6l n TYR 92 N -0.73 0.00 -3.15 4.41 9.36 -1.25 -4.86 117.16 120.94 1f6l n TYR 92 Ca 0.50 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 61.31 1f6l n TYR 92 Cb 0.78 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.42 1f6l n TYR 92 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1f6l s GLY 93 N -0.01 1.84 0.61 2.98 0.00 -1.26 -5.00 107.32 106.48 1f6l s GLY 93 Ca 0.00 -0.48 -0.18 0.00 0.00 0.00 0.00 44.72 44.06 1f6l s GLY 93 CO 0.00 1.36 1.04 -1.30 0.00 0.00 0.00 173.10 174.20 1f6l n THR 94 N 5.13 4.02 -2.59 0.90 -2.24 -1.26 -4.31 114.28 113.92 1f6l n THR 94 Ca -0.02 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.94 1f6l n THR 94 Cb 0.49 -1.23 -0.04 0.00 -2.10 0.00 0.00 70.33 67.45 1f6l n THR 94 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1f6l s PRO 95 N -2.91 3.93 -0.01 -0.78 0.02 -1.26 -4.02 135.00 129.96 1f6l s PRO 95 Ca 0.78 0.82 -0.30 0.00 0.02 0.00 0.00 61.00 62.32 1f6l s PRO 95 Cb -0.41 -2.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.86 1f6l s PRO 95 CO 0.45 -0.17 1.02 -0.06 -0.33 0.00 0.00 177.00 177.92 1f6l s PHE 96 N -2.49 3.59 0.15 6.54 0.08 -1.26 -4.81 117.98 119.78 1f6l s PHE 96 Ca 0.57 1.61 0.07 0.00 0.12 0.00 0.00 56.93 59.30 1f6l s PHE 96 Cb -0.10 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.13 1f6l s PHE 96 CO 0.29 -0.26 -0.15 0.95 -0.10 0.00 0.00 175.22 175.95 1f6l s THR 97 N 1.21 1.57 0.57 0.64 -4.23 -1.26 -5.00 115.64 109.13 1f6l s THR 97 Ca 0.53 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 59.17 1f6l s THR 97 Cb -0.22 -1.76 0.06 0.00 1.34 0.00 0.00 72.50 71.93 1f6l s THR 97 CO 0.26 -0.44 0.79 -0.36 -0.54 0.00 0.00 174.62 174.34 1f6l s PHE 98 N -2.35 2.19 0.55 3.99 0.40 -1.26 -2.96 117.98 118.55 1f6l s PHE 98 Ca 0.14 -0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 1f6l s PHE 98 Cb -0.04 -2.61 0.04 0.00 0.51 0.00 0.00 43.02 40.92 1f6l s PHE 98 CO 0.05 -1.06 0.78 0.20 0.70 0.00 0.00 175.22 175.89 1f6l s GLY 99 N -4.54 1.83 0.57 4.36 0.00 -0.16 -4.64 107.32 104.74 1f6l s GLY 99 Ca 0.60 -1.44 0.26 0.00 0.00 0.00 0.00 44.72 44.15 1f6l s GLY 99 CO 0.39 -1.13 2.19 1.76 0.00 0.00 0.00 173.10 176.31 1f6l h SER 100 N 0.08 0.00 -5.00 1.64 0.02 -1.88 -3.45 113.55 104.96 1f6l h SER 100 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1f6l h SER 100 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1f6l h SER 100 CO 0.50 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.80 1f6l n GLY 101 N -1.40 2.08 2.72 -3.77 0.00 -1.26 -5.04 105.19 98.52 1f6l n GLY 101 Ca -0.02 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.87 1f6l n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f6l s THR 102 N -2.76 0.09 -0.21 2.61 2.01 -0.77 -4.52 115.64 112.09 1f6l s THR 102 Ca 0.00 0.28 -0.17 0.00 0.31 0.00 0.00 61.69 62.11 1f6l s THR 102 Cb 0.00 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 1f6l s THR 102 CO 0.00 0.20 0.47 -0.75 -0.69 0.00 0.00 174.62 173.85 1f6l s LYS 103 N 1.95 4.16 -0.22 4.92 2.20 0.59 -1.25 119.74 132.10 1f6l s LYS 103 Ca 0.03 0.31 -0.04 0.00 -0.36 0.00 0.00 55.97 55.90 1f6l s LYS 103 Cb -0.12 -3.57 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 1f6l s LYS 103 CO -0.04 -0.14 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.62 1f6l s LEU 104 N 1.60 3.03 0.02 5.43 0.20 0.08 -1.60 118.68 127.44 1f6l s LEU 104 Ca 0.21 -0.33 -0.05 0.00 0.69 0.00 0.00 54.13 54.66 1f6l s LEU 104 Cb -0.15 -1.77 -0.01 0.00 -0.43 0.00 0.00 46.19 43.83 1f6l s LEU 104 CO 0.09 0.00 0.08 -1.83 -0.29 0.00 0.00 176.35 174.40 1f6l s GLU 105 N 1.34 0.49 0.00 1.98 -1.05 -0.70 -2.67 118.70 118.08 1f6l s GLU 105 Ca 0.04 -0.61 0.22 0.00 -0.15 0.00 0.00 54.97 54.47 1f6l s GLU 105 Cb -0.14 0.19 1.29 0.00 -0.44 0.00 0.00 34.13 35.03 1f6l s GLU 105 CO -0.01 -0.11 1.67 1.51 0.95 0.00 0.00 175.26 179.27