#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfn n PRO 11 N 0.00 0.27 -3.69 0.00 -0.04 -1.26 -4.74 135.00 125.54 3cfn n PRO 11 Ca 0.00 0.13 -0.23 0.00 -0.04 0.00 0.00 63.50 63.35 3cfn n PRO 11 Cb 0.00 -1.72 -0.17 0.00 -0.04 0.00 0.00 33.50 31.56 3cfn n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3cfn s LEU 12 N -4.29 0.46 0.01 1.53 2.96 -1.26 -0.14 118.68 117.95 3cfn s LEU 12 Ca 0.08 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 53.76 3cfn s LEU 12 Cb 0.13 -0.31 -0.02 0.00 0.50 0.00 0.00 46.19 46.49 3cfn s LEU 12 CO 0.67 -0.27 -0.17 -0.04 -1.32 0.00 0.00 176.35 175.22 3cfn s MET 13 N 2.07 1.25 -0.06 1.98 -1.94 -0.23 -4.46 119.30 117.91 3cfn s MET 13 Ca 0.03 -0.70 0.05 0.00 -1.71 0.00 0.00 55.69 53.36 3cfn s MET 13 Cb -0.14 -1.25 -0.01 0.00 2.01 0.00 0.00 34.83 35.44 3cfn s MET 13 CO -0.06 0.33 -0.22 0.08 -0.01 0.00 0.00 175.02 175.14 3cfn s VAL 14 N -0.58 1.82 -0.04 -6.03 1.01 -0.86 -0.94 120.40 114.77 3cfn s VAL 14 Ca 0.05 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3cfn s VAL 14 Cb -0.07 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3cfn s VAL 14 CO 0.00 0.51 -0.13 -0.54 0.00 0.00 0.00 175.10 174.94 3cfn s LYS 15 N -0.05 1.48 -0.07 2.72 1.02 0.05 0.04 119.74 124.94 3cfn s LYS 15 Ca -0.05 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 55.51 3cfn s LYS 15 Cb -0.13 -1.29 0.02 0.00 -0.52 0.00 0.00 37.83 35.91 3cfn s LYS 15 CO 0.03 0.13 -0.10 0.08 -0.92 0.00 0.00 175.35 174.58 3cfn s VAL 16 N 0.29 0.97 -0.05 3.17 1.01 0.40 -0.67 120.40 125.53 3cfn s VAL 16 Ca -0.07 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.61 3cfn s VAL 16 Cb -0.12 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 3cfn s VAL 16 CO 0.02 0.33 -0.22 -0.22 0.00 0.00 0.00 175.10 175.01 3cfn s LEU 17 N 0.93 2.29 -0.40 3.92 2.96 0.10 -0.71 118.68 127.78 3cfn s LEU 17 Ca -0.10 -0.40 -0.17 0.00 -0.22 0.00 0.00 54.13 53.24 3cfn s LEU 17 Cb -0.15 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.13 3cfn s LEU 17 CO 0.01 0.29 0.46 -0.62 -1.32 0.00 0.00 176.35 175.17 3cfn s ASP 18 N -0.45 6.22 0.00 3.68 -1.08 0.50 -0.60 116.67 124.94 3cfn s ASP 18 Ca 0.05 -0.47 0.30 0.00 -0.52 0.00 0.00 52.55 51.91 3cfn s ASP 18 Cb -0.12 -2.24 1.40 0.00 -1.46 0.00 0.00 42.92 40.50 3cfn s ASP 18 CO 0.01 -0.55 1.97 0.00 0.52 0.00 0.00 175.17 177.12 3cfn n ALA 19 N 5.66 2.63 0.00 3.66 0.00 -0.14 -1.03 120.51 131.29 3cfn n ALA 19 Ca -0.07 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 52.96 3cfn n ALA 19 Cb 0.48 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 3cfn n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cfn h VAL 20 N 0.24 0.83 0.00 0.00 2.07 -1.93 -3.39 116.25 114.06 3cfn h VAL 20 Ca 0.00 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.16 3cfn h VAL 20 Cb 0.31 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3cfn h VAL 20 CO 0.00 0.76 -1.35 0.54 0.02 0.00 0.00 177.57 177.54 3cfn n ARG 21 N -3.76 0.40 -3.06 1.57 1.74 -1.23 -5.00 116.66 107.33 3cfn n ARG 21 Ca -0.29 -0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 56.61 3cfn n ARG 21 Cb 0.96 -1.58 0.07 0.00 -1.02 0.00 0.00 32.46 30.89 3cfn n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cfn n GLY 22 N 1.33 -0.32 3.26 -0.13 0.00 -0.20 -5.04 105.19 104.09 3cfn n GLY 22 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 3cfn n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cfn s SER 23 N -3.87 -0.05 0.46 1.61 1.04 -1.07 -5.02 113.70 106.79 3cfn s SER 23 Ca 0.09 -0.47 -0.24 0.00 0.48 0.00 0.00 55.95 55.81 3cfn s SER 23 Cb -0.01 0.40 -0.08 0.00 0.10 0.00 0.00 66.02 66.42 3cfn s SER 23 CO 0.57 -0.77 1.28 -0.81 0.98 0.00 0.00 173.24 174.49 3cfn n PRO 24 N -0.06 1.84 -2.96 4.02 -0.04 -1.26 -0.37 135.00 136.17 3cfn n PRO 24 Ca -0.16 0.66 -0.43 0.00 -0.04 0.00 0.00 63.50 63.53 3cfn n PRO 24 Cb 0.63 -2.42 -0.05 0.00 -0.04 0.00 0.00 33.50 31.62 3cfn n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cfn s ALA 25 N -1.24 3.27 0.19 0.55 0.00 0.12 -4.60 121.76 120.05 3cfn s ALA 25 Ca 0.64 -1.16 -0.10 0.00 0.00 0.00 0.00 51.96 51.33 3cfn s ALA 25 Cb -0.48 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.05 3cfn s ALA 25 CO 0.56 -2.05 0.52 0.42 0.00 0.00 0.00 175.76 175.20 3cfn s ILE 26 N 3.37 4.95 -1.47 0.00 1.01 -1.26 -4.33 121.20 123.47 3cfn s ILE 26 Ca 0.28 0.50 -0.12 0.00 0.00 0.00 0.00 60.65 61.31 3cfn s ILE 26 Cb -0.13 -3.64 0.06 0.00 0.01 0.00 0.00 42.46 38.75 3cfn s ILE 26 CO 0.20 0.03 1.06 -3.20 0.00 0.00 0.00 174.94 173.04 3cfn n ASN 27 N 0.16 -5.41 -4.66 3.58 5.15 -0.66 -4.94 115.26 108.47 3cfn n ASN 27 Ca -0.02 -0.69 -0.40 0.00 -0.60 0.00 0.00 54.58 52.88 3cfn n ASN 27 Cb 0.52 -4.32 -0.06 0.00 -0.53 0.00 0.00 39.78 35.39 3cfn n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3cfn s VAL 28 N -3.31 5.05 0.21 3.44 1.01 -1.26 -4.79 120.40 120.75 3cfn s VAL 28 Ca 0.64 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 3cfn s VAL 28 Cb -0.30 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 3cfn s VAL 28 CO 0.79 0.14 1.21 0.00 0.00 0.00 0.00 175.10 177.24 3cfn s ALA 29 N 1.76 3.45 -0.07 5.51 0.00 -1.26 -1.55 121.76 129.60 3cfn s ALA 29 Ca 0.27 0.98 0.01 0.00 0.00 0.00 0.00 51.96 53.22 3cfn s ALA 29 Cb -0.16 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.57 3cfn s ALA 29 CO 0.10 -0.38 -0.06 0.08 0.00 0.00 0.00 175.76 175.50 3cfn s VAL 30 N -0.23 0.73 -0.12 0.00 1.01 0.58 -0.81 120.40 121.56 3cfn s VAL 30 Ca 0.52 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.34 3cfn s VAL 30 Cb -0.33 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.29 3cfn s VAL 30 CO 0.38 0.29 -0.20 -1.00 0.00 0.00 0.00 175.10 174.57 3cfn s HIS 31 N 1.23 2.66 -0.08 5.22 3.76 -0.05 -1.40 115.29 126.63 3cfn s HIS 31 Ca -0.05 -0.95 0.01 0.00 -0.15 0.00 0.00 55.06 53.91 3cfn s HIS 31 Cb -0.14 -1.77 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 3cfn s HIS 31 CO -0.02 -0.38 -0.07 0.08 -0.85 0.00 0.00 174.74 173.50 3cfn s VAL 32 N 0.42 3.65 0.12 -0.90 1.01 0.20 -0.13 120.40 124.77 3cfn s VAL 32 Ca -0.15 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.40 3cfn s VAL 32 Cb -0.17 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3cfn s VAL 32 CO 0.07 0.59 -0.15 -0.36 0.00 0.00 0.00 175.10 175.25 3cfn s PHE 33 N -0.67 1.44 -0.01 5.22 0.08 0.13 -0.62 117.98 123.56 3cfn s PHE 33 Ca 0.10 -0.54 0.07 0.00 0.12 0.00 0.00 56.93 56.68 3cfn s PHE 33 Cb -0.11 -0.75 -0.02 0.00 -0.57 0.00 0.00 43.02 41.57 3cfn s PHE 33 CO 0.02 0.16 -0.22 0.50 -0.10 0.00 0.00 175.22 175.57 3cfn s ARG 34 N -2.66 1.75 -0.17 0.44 3.52 -0.01 -0.94 118.95 120.88 3cfn s ARG 34 Ca 0.09 -0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 54.57 3cfn s ARG 34 Cb -0.05 -1.72 -0.01 0.00 -1.56 0.00 0.00 34.95 31.61 3cfn s ARG 34 CO 0.03 0.47 1.14 0.21 -0.81 0.00 0.00 175.30 176.34 3cfn s LYS 35 N -0.65 4.28 0.76 5.12 2.20 0.34 -0.93 119.74 130.85 3cfn s LYS 35 Ca 0.09 1.51 -0.12 0.00 -0.36 0.00 0.00 55.97 57.09 3cfn s LYS 35 Cb -0.09 -3.67 0.05 0.00 -1.51 0.00 0.00 37.83 32.61 3cfn s LYS 35 CO -0.00 -0.61 1.14 0.00 -0.36 0.00 0.00 175.35 175.52 3cfn s ALA 36 N 3.08 2.77 0.55 3.13 0.00 0.40 -4.69 121.76 127.01 3cfn s ALA 36 Ca 0.50 -0.48 0.22 0.00 0.00 0.00 0.00 51.96 52.20 3cfn s ALA 36 Cb -0.19 -3.00 1.45 0.00 0.00 0.00 0.00 23.12 21.39 3cfn s ALA 36 CO 0.12 -1.40 2.13 0.00 0.00 0.00 0.00 175.76 176.62 3cfn h ALA 37 N -0.85 1.98 -0.26 0.00 0.00 -1.96 -0.15 119.26 118.04 3cfn h ALA 37 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3cfn h ALA 37 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3cfn h ALA 37 CO 0.65 -0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.32 3cfn n ASP 38 N -4.27 1.55 -0.22 0.00 5.68 -1.26 -4.92 116.55 113.12 3cfn n ASP 38 Ca 0.00 -2.04 -0.03 0.00 -0.50 0.00 0.00 54.79 52.23 3cfn n ASP 38 Cb 0.23 -0.22 -0.01 0.00 -1.14 0.00 0.00 41.12 39.98 3cfn n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3cfn n ASP 39 N 0.27 -4.09 -4.92 -1.12 10.43 -0.07 -5.04 116.55 112.01 3cfn n ASP 39 Ca 0.09 0.07 -0.27 0.00 2.57 0.00 0.00 54.79 57.24 3cfn n ASP 39 Cb 0.26 -1.84 -0.03 0.00 1.84 0.00 0.00 41.12 41.35 3cfn n ASP 39 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3cfn s THR 40 N -1.85 5.13 -0.42 -3.53 -4.23 -1.26 -4.82 115.64 104.65 3cfn s THR 40 Ca 0.00 -0.22 -0.24 0.00 -1.18 0.00 0.00 61.69 60.05 3cfn s THR 40 Cb 0.00 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 70.11 3cfn s THR 40 CO 0.00 -0.26 0.85 0.26 -0.54 0.00 0.00 174.62 174.92 3cfn s TRP 41 N -1.99 3.01 -0.10 3.99 0.52 -1.26 -0.45 118.94 122.66 3cfn s TRP 41 Ca 0.41 0.42 -0.09 0.00 0.02 0.00 0.00 56.10 56.86 3cfn s TRP 41 Cb -0.11 -3.69 -0.04 0.00 -1.15 0.00 0.00 33.47 28.48 3cfn s TRP 41 CO 0.30 -0.94 0.19 -1.83 0.02 0.00 0.00 176.95 174.69 3cfn s GLU 42 N 3.42 3.57 0.19 4.98 1.03 -0.11 -4.89 118.70 126.88 3cfn s GLU 42 Ca 0.34 -0.04 -0.33 0.00 0.03 0.00 0.00 54.97 54.97 3cfn s GLU 42 Cb -0.12 -3.21 -0.13 0.00 -0.80 0.00 0.00 34.13 29.87 3cfn s GLU 42 CO 0.22 0.73 1.56 -2.30 -1.33 0.00 0.00 175.26 174.15 3cfn n PRO 43 N 2.05 2.25 -0.02 -4.83 -0.02 -1.26 -0.83 135.00 132.33 3cfn n PRO 43 Ca -0.19 0.81 -0.04 0.00 -2.02 0.00 0.00 63.50 62.06 3cfn n PRO 43 Cb 0.54 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 3cfn n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3cfn n PHE 44 N 3.07 0.00 -3.49 6.00 7.35 0.21 -4.79 117.46 125.80 3cfn n PHE 44 Ca 0.15 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.75 3cfn n PHE 44 Cb 0.31 -0.18 -0.02 0.00 0.35 0.00 0.00 39.48 39.94 3cfn n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cfn s ALA 45 N -2.09 -1.79 0.15 3.13 0.00 -0.99 -5.01 121.76 115.17 3cfn s ALA 45 Ca -0.07 0.93 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 3cfn s ALA 45 Cb 0.02 0.49 0.04 0.00 0.00 0.00 0.00 23.12 23.67 3cfn s ALA 45 CO 0.10 -0.70 0.46 -1.54 0.00 0.00 0.00 175.76 174.08 3cfn s SER 46 N -2.52 -0.28 -0.03 0.00 1.04 -1.26 0.62 113.70 111.26 3cfn s SER 46 Ca 0.04 -0.34 -0.12 0.00 0.48 0.00 0.00 55.95 56.02 3cfn s SER 46 Cb -0.01 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.67 3cfn s SER 46 CO -0.10 -0.93 0.54 0.61 0.98 0.00 0.00 173.24 174.34 3cfn n GLY 47 N -0.28 0.33 3.10 7.32 0.00 -0.49 -4.96 105.19 110.21 3cfn n GLY 47 Ca -0.14 -0.90 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 3cfn n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cfn s LYS 48 N -2.00 0.78 0.54 1.61 1.02 -1.26 -0.31 119.74 120.12 3cfn s LYS 48 Ca 0.13 -0.69 -0.21 0.00 0.02 0.00 0.00 55.97 55.22 3cfn s LYS 48 Cb -0.00 -0.74 -0.05 0.00 -0.52 0.00 0.00 37.83 36.52 3cfn s LYS 48 CO -0.01 0.18 1.26 0.95 -0.92 0.00 0.00 175.35 176.81 3cfn s THR 49 N -0.88 2.51 0.14 2.17 -4.23 -0.60 -4.74 115.64 110.03 3cfn s THR 49 Ca -0.01 0.36 -0.02 0.00 -1.18 0.00 0.00 61.69 60.85 3cfn s THR 49 Cb -0.08 -3.17 0.03 0.00 1.34 0.00 0.00 72.50 70.63 3cfn s THR 49 CO 0.01 -0.03 0.19 -1.54 -0.54 0.00 0.00 174.62 172.71 3cfn n SER 50 N -1.12 0.10 0.27 3.99 3.41 0.13 -1.66 113.62 118.75 3cfn n SER 50 Ca 0.11 -1.12 0.15 0.00 -0.26 0.00 0.00 58.87 57.75 3cfn n SER 50 Cb 0.47 -0.14 0.88 0.00 -0.26 0.00 0.00 64.21 65.16 3cfn n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3cfn h GLU 51 N 0.00 0.00 -0.03 4.33 4.39 -1.94 -0.71 114.58 120.63 3cfn h GLU 51 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3cfn h GLU 51 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3cfn h GLU 51 CO 0.05 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.77 3cfn n SER 52 N -3.86 1.25 -0.05 1.42 3.41 -1.26 -4.80 113.62 109.73 3cfn n SER 52 Ca -0.02 -1.44 -0.01 0.00 -0.26 0.00 0.00 58.87 57.15 3cfn n SER 52 Cb 0.16 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3cfn n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cfn n GLY 53 N 1.14 0.48 3.61 5.00 0.00 -0.27 -4.77 105.19 110.37 3cfn n GLY 53 Ca 0.19 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 3cfn n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cfn s GLU 54 N -0.96 2.29 -0.15 1.61 2.02 -1.26 -0.45 118.70 121.80 3cfn s GLU 54 Ca 0.00 -0.94 -0.01 0.00 0.02 0.00 0.00 54.97 54.05 3cfn s GLU 54 Cb 0.00 -2.39 0.04 0.00 0.10 0.00 0.00 34.13 31.88 3cfn s GLU 54 CO 0.00 0.53 -0.05 -1.17 0.02 0.00 0.00 175.26 174.59 3cfn s LEU 55 N -2.13 1.44 0.45 1.80 2.96 0.11 -0.69 118.68 122.62 3cfn s LEU 55 Ca 0.22 -0.58 0.05 0.00 -0.22 0.00 0.00 54.13 53.61 3cfn s LEU 55 Cb -0.11 -0.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 3cfn s LEU 55 CO 0.14 -0.18 0.10 -1.00 -1.32 0.00 0.00 176.35 174.09 3cfn s HIS 56 N 1.69 2.27 -1.19 5.38 3.76 -1.26 -2.03 115.29 123.90 3cfn s HIS 56 Ca 0.02 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.18 3cfn s HIS 56 Cb -0.15 -1.80 0.00 0.00 1.11 0.00 0.00 32.58 31.74 3cfn s HIS 56 CO -0.08 0.21 0.00 0.41 -0.85 0.00 0.00 174.74 174.44 3cfn n GLY 57 N -1.21 0.37 0.23 -2.22 0.00 -1.26 -4.91 105.19 96.18 3cfn n GLY 57 Ca -0.08 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 3cfn n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cfn h LEU 58 N 0.00 0.77 0.00 0.99 3.38 -1.88 -3.48 115.31 115.09 3cfn h LEU 58 Ca -0.29 -0.39 -0.23 0.00 0.09 0.00 0.00 57.88 57.06 3cfn h LEU 58 Cb 1.09 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 3cfn h LEU 58 CO 0.37 1.13 -0.05 1.07 0.09 0.00 0.00 178.44 181.04 3cfn n THR 59 N -4.00 0.00 -4.47 0.22 5.66 -1.26 -4.79 114.28 105.63 3cfn n THR 59 Ca -0.03 -1.65 -0.24 0.00 -3.05 0.00 0.00 64.05 59.08 3cfn n THR 59 Cb 0.58 1.11 -0.10 0.00 -1.55 0.00 0.00 70.33 70.37 3cfn n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cfn s THR 60 N -2.66 2.49 0.24 1.09 -4.23 -1.26 -4.64 115.64 106.67 3cfn s THR 60 Ca 0.27 -2.35 -0.05 0.00 -1.18 0.00 0.00 61.69 58.38 3cfn s THR 60 Cb -0.02 -2.38 0.20 0.00 1.34 0.00 0.00 72.50 71.64 3cfn s THR 60 CO 0.19 -0.37 1.79 -0.08 -0.54 0.00 0.00 174.62 175.61 3cfn h GLU 61 N 2.21 0.65 -0.43 3.99 4.81 -1.99 -0.27 114.58 123.55 3cfn h GLU 61 Ca -0.40 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 3cfn h GLU 61 Cb 1.26 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 3cfn h GLU 61 CO 0.62 0.43 0.27 0.93 -0.73 0.00 0.00 179.01 180.52 3cfn h GLU 62 N 0.67 0.53 0.00 1.92 5.08 -2.03 -3.05 114.58 117.70 3cfn h GLU 62 Ca 0.39 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 3cfn h GLU 62 Cb 0.42 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3cfn h GLU 62 CO -0.28 0.35 -0.24 0.93 -1.00 0.00 0.00 179.01 178.77 3cfn h GLU 63 N 0.54 0.00 -3.60 2.33 4.39 -1.86 -3.38 114.58 113.00 3cfn h GLU 63 Ca 0.17 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 59.12 3cfn h GLU 63 Cb -0.02 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.51 3cfn h GLU 63 CO -0.06 0.12 2.37 0.34 -1.16 0.00 0.00 179.01 180.62 3cfn n PHE 64 N -3.08 3.07 -1.67 4.33 7.35 -0.15 -4.94 117.46 122.36 3cfn n PHE 64 Ca 0.03 -2.84 -0.29 0.00 -0.76 0.00 0.00 57.45 53.58 3cfn n PHE 64 Cb 0.59 -2.12 0.17 0.00 0.35 0.00 0.00 39.48 38.47 3cfn n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3cfn s VAL 65 N 1.12 1.93 0.45 -2.13 -7.23 -1.26 -4.93 120.40 108.35 3cfn s VAL 65 Ca 0.42 0.00 -0.25 0.00 -1.81 0.00 0.00 61.98 60.34 3cfn s VAL 65 Cb 0.11 -2.84 -0.09 0.00 0.56 0.00 0.00 36.38 34.12 3cfn s VAL 65 CO -0.02 0.00 1.33 1.21 -0.31 0.00 0.00 175.10 177.30 3cfn n GLU 66 N -3.87 1.98 -3.84 4.82 0.00 -1.26 -4.77 120.64 113.70 3cfn n GLU 66 Ca 0.11 0.71 0.00 0.00 0.00 0.00 0.00 57.16 57.98 3cfn n GLU 66 Cb 0.60 -2.48 0.00 0.00 0.00 0.00 0.00 31.44 29.56 3cfn n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3cfn n GLY 67 N 0.74 -2.37 3.64 8.31 0.00 -0.96 -5.00 105.19 109.55 3cfn n GLY 67 Ca 0.07 -1.25 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 3cfn n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cfn s ILE 68 N -2.22 5.22 0.09 -0.61 1.01 -1.26 -0.65 121.20 122.78 3cfn s ILE 68 Ca 0.00 0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.86 3cfn s ILE 68 Cb 0.00 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 3cfn s ILE 68 CO 0.00 0.35 -0.15 -0.31 0.00 0.00 0.00 174.94 174.83 3cfn s TYR 69 N 1.07 2.62 -0.15 3.97 1.51 0.18 -0.51 117.35 126.04 3cfn s TYR 69 Ca 0.07 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 3cfn s TYR 69 Cb -0.14 -1.41 0.02 0.00 -0.11 0.00 0.00 41.96 40.32 3cfn s TYR 69 CO 0.04 0.36 -0.17 0.21 -1.11 0.00 0.00 175.55 174.89 3cfn s LYS 70 N -1.95 2.57 -0.37 -0.62 2.20 -0.11 -1.14 119.74 120.31 3cfn s LYS 70 Ca 0.18 -0.67 -0.12 0.00 -0.36 0.00 0.00 55.97 55.00 3cfn s LYS 70 Cb -0.11 -2.26 0.01 0.00 -1.51 0.00 0.00 37.83 33.96 3cfn s LYS 70 CO 0.10 -0.19 0.24 0.08 -0.36 0.00 0.00 175.35 175.21 3cfn s VAL 71 N 1.32 4.94 -0.23 4.02 1.01 0.73 -0.69 120.40 131.49 3cfn s VAL 71 Ca 0.03 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 3cfn s VAL 71 Cb -0.13 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3cfn s VAL 71 CO -0.10 -0.17 0.29 -1.61 0.00 0.00 0.00 175.10 173.51 3cfn s GLU 72 N 1.64 4.10 -0.27 2.72 2.02 0.81 -0.94 118.70 128.78 3cfn s GLU 72 Ca 0.04 -0.03 -0.05 0.00 0.02 0.00 0.00 54.97 54.95 3cfn s GLU 72 Cb -0.18 -3.56 0.01 0.00 0.10 0.00 0.00 34.13 30.49 3cfn s GLU 72 CO 0.08 -0.04 0.02 0.42 0.02 0.00 0.00 175.26 175.76 3cfn s ILE 73 N 1.35 3.59 -1.35 -1.63 1.01 0.47 -0.87 121.20 123.76 3cfn s ILE 73 Ca 0.13 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 3cfn s ILE 73 Cb -0.14 -2.80 0.06 0.00 0.01 0.00 0.00 42.46 39.58 3cfn s ILE 73 CO 0.07 0.18 1.92 0.47 0.00 0.00 0.00 174.94 177.58 3cfn n ASP 74 N 4.80 4.53 0.09 3.58 8.00 0.01 -1.25 116.55 136.31 3cfn n ASP 74 Ca -0.16 -2.89 -0.08 0.00 0.71 0.00 0.00 54.79 52.38 3cfn n ASP 74 Cb 0.48 -1.71 0.02 0.00 -0.02 0.00 0.00 41.12 39.89 3cfn n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3cfn h THR 75 N 5.00 1.48 -0.16 -3.53 1.35 -1.87 -3.26 112.91 111.93 3cfn h THR 75 Ca 0.49 -2.51 -0.00 0.00 -0.55 0.00 0.00 66.41 63.83 3cfn h THR 75 Cb 0.79 2.38 -0.01 0.00 -1.73 0.00 0.00 68.15 69.58 3cfn h THR 75 CO 1.62 0.73 0.08 0.50 -0.25 0.00 0.00 175.52 178.20 3cfn h LYS 76 N 0.11 0.22 -0.80 4.72 3.64 -1.65 -1.98 116.57 120.83 3cfn h LYS 76 Ca -0.04 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.39 3cfn h LYS 76 Cb 1.43 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.14 3cfn h LYS 76 CO 0.12 0.23 0.47 0.77 -2.27 0.00 0.00 179.45 178.77 3cfn h SER 77 N 0.15 0.71 -0.08 4.20 0.02 -1.83 -1.48 113.55 115.23 3cfn h SER 77 Ca 0.05 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3cfn h SER 77 Cb 0.07 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 3cfn h SER 77 CO -0.01 0.43 -0.08 0.22 -1.14 0.00 0.00 176.83 176.26 3cfn h TYR 78 N 0.83 -0.19 -0.49 3.45 3.20 -1.51 -2.78 116.97 119.48 3cfn h TYR 78 Ca 0.37 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.13 3cfn h TYR 78 Cb 0.25 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3cfn h TYR 78 CO -0.05 -0.12 -0.16 -1.49 -1.64 0.00 0.00 178.16 174.70 3cfn h TRP 79 N -0.10 1.11 -0.99 -3.82 4.06 -1.01 -3.14 115.95 112.06 3cfn h TRP 79 Ca 0.06 -0.25 0.03 0.00 2.06 0.00 0.00 58.89 60.79 3cfn h TRP 79 Cb 0.18 -0.27 -0.05 0.00 -1.00 0.00 0.00 29.16 28.02 3cfn h TRP 79 CO -0.18 1.06 0.65 0.87 -3.56 0.00 0.00 178.44 177.28 3cfn h LYS 80 N 0.83 1.24 0.00 0.49 1.79 -0.87 -0.40 116.57 119.64 3cfn h LYS 80 Ca 0.12 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.48 3cfn h LYS 80 Cb 0.73 -0.28 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 3cfn h LYS 80 CO 0.06 0.82 -0.16 0.00 -1.08 0.00 0.00 179.45 179.08 3cfn h ALA 81 N 1.41 1.32 -0.14 3.86 0.00 -1.45 -0.96 119.26 123.30 3cfn h ALA 81 Ca 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3cfn h ALA 81 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3cfn h ALA 81 CO -0.11 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.62 3cfn n LEU 82 N -3.74 1.59 0.00 0.00 4.32 -0.51 -4.92 117.00 113.74 3cfn n LEU 82 Ca -0.02 -0.65 0.00 0.00 -0.02 0.00 0.00 56.01 55.33 3cfn n LEU 82 Cb 0.27 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 3cfn n LEU 82 CO 0.32 0.32 0.00 0.61 -1.22 0.00 0.00 177.39 177.42 3cfn n GLY 83 N 1.13 0.54 3.46 -0.72 0.00 -0.37 -5.05 105.19 104.19 3cfn n GLY 83 Ca 0.17 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 3cfn n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cfn s ILE 84 N -2.00 3.43 -0.54 -0.61 1.01 -0.28 -4.98 121.20 117.23 3cfn s ILE 84 Ca 0.00 -0.54 -0.18 0.00 0.00 0.00 0.00 60.65 59.93 3cfn s ILE 84 Cb 0.00 -2.44 0.09 0.00 0.01 0.00 0.00 42.46 40.12 3cfn s ILE 84 CO 0.00 0.54 0.60 -0.44 0.00 0.00 0.00 174.94 175.64 3cfn s SER 85 N -0.03 6.19 0.76 3.58 0.01 -1.26 -2.33 113.70 120.61 3cfn s SER 85 Ca -0.01 -1.34 -0.07 0.00 1.31 0.00 0.00 55.95 55.83 3cfn s SER 85 Cb -0.14 -2.27 0.11 0.00 0.21 0.00 0.00 66.02 63.93 3cfn s SER 85 CO 0.03 -0.95 1.07 -2.16 0.41 0.00 0.00 173.24 171.65 3cfn s PRO 86 N 2.33 1.75 -0.11 12.44 0.04 -1.26 -5.00 135.00 145.19 3cfn s PRO 86 Ca 0.10 -0.51 -0.27 0.00 0.04 0.00 0.00 61.00 60.35 3cfn s PRO 86 Cb -0.24 -2.15 -0.26 0.00 0.04 0.00 0.00 34.50 31.89 3cfn s PRO 86 CO 0.07 -1.53 0.85 0.35 0.04 0.00 0.00 177.00 176.78 3cfn h PHE 87 N -0.78 0.09 -3.53 0.56 3.57 -1.46 -3.47 116.94 111.92 3cfn h PHE 87 Ca -0.42 -0.06 -0.53 0.00 3.53 0.00 0.00 57.97 60.49 3cfn h PHE 87 Cb 1.29 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 3cfn h PHE 87 CO -0.12 1.00 0.06 -1.01 -2.23 0.00 0.00 178.31 176.01 3cfn s HIS 88 N -2.48 3.60 0.07 0.41 3.76 -1.26 -4.98 115.29 114.41 3cfn s HIS 88 Ca -0.18 1.28 -0.19 0.00 -0.15 0.00 0.00 55.06 55.83 3cfn s HIS 88 Cb -0.02 -2.54 -0.10 0.00 1.11 0.00 0.00 32.58 31.03 3cfn s HIS 88 CO 0.71 0.33 1.45 0.93 -0.85 0.00 0.00 174.74 177.31 3cfn h GLU 89 N 3.30 0.45 -2.79 1.40 4.39 -1.97 -3.35 114.58 116.01 3cfn h GLU 89 Ca -0.48 -0.18 0.07 0.00 0.34 0.00 0.00 59.36 59.10 3cfn h GLU 89 Cb 1.19 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.73 3cfn h GLU 89 CO 0.65 0.71 0.30 -3.38 -1.16 0.00 0.00 179.01 176.13 3cfn s HIS 90 N -4.69 -0.31 -0.07 4.33 -3.43 -1.26 -2.64 115.29 107.22 3cfn s HIS 90 Ca -0.14 0.00 -0.15 0.00 -0.80 0.00 0.00 55.06 53.98 3cfn s HIS 90 Cb 0.07 0.63 -0.05 0.00 -1.43 0.00 0.00 32.58 31.80 3cfn s HIS 90 CO 0.76 -0.95 0.37 0.00 -2.00 0.00 0.00 174.74 172.92 3cfn s ALA 91 N -3.65 3.64 -0.12 -1.38 0.00 -0.38 -4.91 121.76 114.97 3cfn s ALA 91 Ca 0.07 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.76 3cfn s ALA 91 Cb -0.03 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.69 3cfn s ALA 91 CO -0.02 0.30 -0.23 -1.21 0.00 0.00 0.00 175.76 174.60 3cfn s GLU 92 N -0.35 2.97 -0.25 0.00 2.02 -1.26 -0.40 118.70 121.42 3cfn s GLU 92 Ca 0.22 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.38 3cfn s GLU 92 Cb -0.15 -2.31 0.06 0.00 0.10 0.00 0.00 34.13 31.83 3cfn s GLU 92 CO 0.10 0.09 -0.07 0.08 0.02 0.00 0.00 175.26 175.48 3cfn s VAL 93 N 0.56 1.85 -0.15 2.63 1.01 -0.11 -4.97 120.40 121.22 3cfn s VAL 93 Ca -0.14 -1.48 -0.00 0.00 0.00 0.00 0.00 61.98 60.36 3cfn s VAL 93 Cb -0.17 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 3cfn s VAL 93 CO 0.04 -0.11 -0.14 -0.69 0.00 0.00 0.00 175.10 174.20 3cfn s VAL 94 N 1.24 2.82 -0.05 2.92 1.01 -1.26 -0.19 120.40 126.88 3cfn s VAL 94 Ca -0.06 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 60.94 3cfn s VAL 94 Cb -0.19 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 34.05 3cfn s VAL 94 CO -0.06 0.51 0.55 0.72 0.00 0.00 0.00 175.10 176.83 3cfn s PHE 95 N 0.68 -0.50 0.09 5.22 -0.71 -0.29 -4.99 117.98 117.46 3cfn s PHE 95 Ca -0.07 0.88 -0.30 0.00 -1.04 0.00 0.00 56.93 56.40 3cfn s PHE 95 Cb -0.16 0.30 -0.05 0.00 -1.21 0.00 0.00 43.02 41.90 3cfn s PHE 95 CO 0.02 -0.52 1.06 0.99 -1.34 0.00 0.00 175.22 175.43 3cfn s THR 96 N -1.13 4.33 0.05 -4.49 2.01 -1.26 -0.65 115.64 114.50 3cfn s THR 96 Ca -0.11 1.81 0.08 0.00 0.31 0.00 0.00 61.69 63.79 3cfn s THR 96 Cb -0.02 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 3cfn s THR 96 CO 0.08 0.22 -0.24 0.00 -0.69 0.00 0.00 174.62 173.99 3cfn s ALA 97 N 0.45 2.03 -1.78 7.40 0.00 0.18 -4.84 121.76 125.20 3cfn s ALA 97 Ca 0.52 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3cfn s ALA 97 Cb -0.26 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.45 3cfn s ALA 97 CO 0.30 0.47 0.00 0.09 0.00 0.00 0.00 175.76 176.62 3cfn n ASN 98 N 1.76 -5.47 0.17 0.00 3.02 -1.26 -2.26 115.26 111.23 3cfn n ASN 98 Ca -0.17 0.14 0.13 0.00 -0.03 0.00 0.00 54.58 54.66 3cfn n ASN 98 Cb 0.53 -4.57 0.39 0.00 -0.61 0.00 0.00 39.78 35.52 3cfn n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 3cfn h ASP 99 N 0.00 0.00 -0.27 6.41 2.03 -1.92 -3.13 116.42 119.54 3cfn h ASP 99 Ca -0.44 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 55.67 3cfn h ASP 99 Cb 1.31 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.66 3cfn h ASP 99 CO 0.55 0.00 -0.57 -1.20 -1.03 0.00 0.00 179.24 176.99 3cfn n SER 100 N -2.66 2.86 0.00 4.15 7.64 -1.26 -5.08 113.62 119.27 3cfn n SER 100 Ca 0.04 -3.85 0.00 0.00 1.01 0.00 0.00 58.87 56.07 3cfn n SER 100 Cb 0.41 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3cfn n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cfn n GLY 101 N -0.98 1.05 3.75 0.23 0.00 -1.18 -4.99 105.19 103.07 3cfn n GLY 101 Ca 0.28 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 3cfn n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cfn s PRO 102 N -2.23 4.24 0.23 1.61 0.04 -1.26 -4.34 135.00 133.29 3cfn s PRO 102 Ca 0.00 2.36 0.03 0.00 0.04 0.00 0.00 61.00 63.43 3cfn s PRO 102 Cb 0.00 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.42 3cfn s PRO 102 CO 0.00 -0.42 0.01 1.03 0.04 0.00 0.00 177.00 177.66 3cfn s ARG 103 N -0.90 1.33 -0.14 4.56 1.81 -1.26 -4.88 118.95 119.46 3cfn s ARG 103 Ca 0.57 -1.68 -0.05 0.00 -1.72 0.00 0.00 55.73 52.85 3cfn s ARG 103 Cb -0.43 -0.54 -0.04 0.00 -0.45 0.00 0.00 34.95 33.49 3cfn s ARG 103 CO 0.48 -0.13 0.03 1.03 -0.68 0.00 0.00 175.30 176.04 3cfn s ARG 104 N -3.89 3.57 -0.13 3.54 0.52 -0.25 -4.83 118.95 117.49 3cfn s ARG 104 Ca 0.29 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 55.16 3cfn s ARG 104 Cb 0.06 -3.03 0.01 0.00 0.52 0.00 0.00 34.95 32.51 3cfn s ARG 104 CO 0.09 0.45 -0.22 0.71 0.02 0.00 0.00 175.30 176.34 3cfn s TYR 105 N -0.15 2.60 -0.27 -0.53 1.51 0.80 -1.33 117.35 119.98 3cfn s TYR 105 Ca 0.06 -1.24 -0.03 0.00 -1.01 0.00 0.00 57.07 54.85 3cfn s TYR 105 Cb -0.12 -1.76 0.03 0.00 -0.11 0.00 0.00 41.96 39.99 3cfn s TYR 105 CO 0.02 -0.55 -0.02 0.99 -1.11 0.00 0.00 175.55 174.88 3cfn s THR 106 N 0.68 3.12 -0.28 -0.71 2.01 -0.19 -1.07 115.64 119.21 3cfn s THR 106 Ca -0.11 -1.04 -0.12 0.00 0.31 0.00 0.00 61.69 60.74 3cfn s THR 106 Cb -0.16 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 3cfn s THR 106 CO 0.01 0.10 0.22 -0.63 -0.69 0.00 0.00 174.62 173.64 3cfn s ILE 107 N 1.34 5.29 0.01 1.82 -1.09 -0.11 -1.17 121.20 127.29 3cfn s ILE 107 Ca -0.01 0.24 0.05 0.00 -2.23 0.00 0.00 60.65 58.71 3cfn s ILE 107 Cb -0.17 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 3cfn s ILE 107 CO -0.02 0.24 -0.13 0.00 -1.23 0.00 0.00 174.94 173.80 3cfn s ALA 108 N 1.78 2.78 -0.07 9.38 0.00 -0.47 -0.77 121.76 134.39 3cfn s ALA 108 Ca 0.08 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.98 3cfn s ALA 108 Cb -0.16 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.04 3cfn s ALA 108 CO 0.11 0.59 -0.13 0.00 0.00 0.00 0.00 175.76 176.32 3cfn s ALA 109 N -0.93 1.33 -0.35 0.00 0.00 0.15 -1.20 121.76 120.78 3cfn s ALA 109 Ca 0.15 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 3cfn s ALA 109 Cb -0.11 -0.59 0.04 0.00 0.00 0.00 0.00 23.12 22.46 3cfn s ALA 109 CO 0.06 0.12 0.12 -0.51 0.00 0.00 0.00 175.76 175.55 3cfn s LEU 110 N 0.65 4.40 -0.21 0.00 1.43 0.73 -0.73 118.68 124.96 3cfn s LEU 110 Ca -0.15 -1.12 -0.11 0.00 -1.03 0.00 0.00 54.13 51.72 3cfn s LEU 110 Cb -0.16 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 3cfn s LEU 110 CO 0.04 -0.34 0.19 -0.76 0.23 0.00 0.00 176.35 175.71 3cfn s LEU 111 N 1.43 4.18 0.18 1.79 1.43 0.23 -1.67 118.68 126.25 3cfn s LEU 111 Ca -0.01 0.27 0.08 0.00 -1.03 0.00 0.00 54.13 53.44 3cfn s LEU 111 Cb -0.19 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 3cfn s LEU 111 CO 0.03 0.11 -0.16 -0.44 0.23 0.00 0.00 176.35 176.12 3cfn s SER 112 N 0.64 2.59 0.28 2.29 0.01 0.65 -0.97 113.70 119.20 3cfn s SER 112 Ca 0.10 -0.93 0.03 0.00 1.31 0.00 0.00 55.95 56.46 3cfn s SER 112 Cb -0.12 -0.14 0.65 0.00 0.21 0.00 0.00 66.02 66.61 3cfn s SER 112 CO 0.02 -0.10 1.76 -0.65 0.41 0.00 0.00 173.24 174.68 3cfn h PRO 113 N 2.97 0.65 -0.13 12.44 0.11 -1.98 -2.87 132.00 143.18 3cfn h PRO 113 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3cfn h PRO 113 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3cfn h PRO 113 CO 0.56 0.43 0.00 0.66 -0.21 0.00 0.00 178.00 179.44 3cfn n TYR 114 N -4.84 0.38 -3.55 0.65 4.02 -1.26 -1.09 117.16 111.47 3cfn n TYR 114 Ca 0.21 -0.82 -0.17 0.00 -0.01 0.00 0.00 57.90 57.10 3cfn n TYR 114 Cb 0.52 -0.18 -0.06 0.00 -0.02 0.00 0.00 39.34 39.60 3cfn n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3cfn s SER 115 N -2.03 -0.59 0.03 7.72 0.15 -1.09 -4.96 113.70 112.93 3cfn s SER 115 Ca 0.29 0.61 -0.07 0.00 0.70 0.00 0.00 55.95 57.48 3cfn s SER 115 Cb 0.24 0.51 -0.00 0.00 -1.71 0.00 0.00 66.02 65.05 3cfn s SER 115 CO 0.06 -0.60 0.14 -0.72 1.20 0.00 0.00 173.24 173.32 3cfn s TYR 116 N -1.28 0.12 0.04 3.44 -0.85 -1.26 -0.25 117.35 117.31 3cfn s TYR 116 Ca -0.11 -0.34 0.07 0.00 -0.52 0.00 0.00 57.07 56.17 3cfn s TYR 116 Cb -0.01 -0.09 -0.03 0.00 0.38 0.00 0.00 41.96 42.22 3cfn s TYR 116 CO 0.09 -0.36 -0.18 -1.12 -1.52 0.00 0.00 175.55 172.45 3cfn s SER 117 N -1.92 3.78 -0.01 -0.18 0.01 -0.67 -4.97 113.70 109.74 3cfn s SER 117 Ca -0.08 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 56.77 3cfn s SER 117 Cb -0.03 -0.60 -0.00 0.00 0.21 0.00 0.00 66.02 65.60 3cfn s SER 117 CO -0.03 0.25 -0.07 0.28 0.41 0.00 0.00 173.24 174.09 3cfn s THR 118 N -0.92 0.54 0.14 1.44 -1.32 -1.26 -0.20 115.64 114.06 3cfn s THR 118 Ca 0.15 -0.28 0.06 0.00 -1.21 0.00 0.00 61.69 60.41 3cfn s THR 118 Cb -0.10 -0.47 -0.04 0.00 -1.51 0.00 0.00 72.50 70.38 3cfn s THR 118 CO 0.05 0.16 -0.14 0.42 -2.21 0.00 0.00 174.62 172.90 3cfn s THR 119 N -0.05 1.43 -0.04 5.08 -4.23 -0.34 -4.99 115.64 112.50 3cfn s THR 119 Ca 0.01 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 3cfn s THR 119 Cb -0.04 -1.70 0.01 0.00 1.34 0.00 0.00 72.50 72.11 3cfn s THR 119 CO -0.00 -0.49 -0.10 0.00 -0.54 0.00 0.00 174.62 173.49 3cfn s ALA 120 N -2.45 1.01 -0.22 3.99 0.00 -1.26 -1.37 121.76 121.46 3cfn s ALA 120 Ca 0.13 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.73 3cfn s ALA 120 Cb -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.66 3cfn s ALA 120 CO 0.04 0.11 -0.07 0.08 0.00 0.00 0.00 175.76 175.92 3cfn s VAL 121 N 0.48 3.09 -0.17 0.00 1.01 -0.32 -4.98 120.40 119.51 3cfn s VAL 121 Ca -0.09 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 3cfn s VAL 121 Cb -0.12 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 3cfn s VAL 121 CO 0.02 0.38 -0.08 -0.69 0.00 0.00 0.00 175.10 174.73 3cfn s VAL 122 N 1.42 3.35 0.10 2.92 1.01 -1.26 -1.02 120.40 126.92 3cfn s VAL 122 Ca 0.04 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.57 3cfn s VAL 122 Cb -0.15 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3cfn s VAL 122 CO -0.05 0.48 -0.21 0.42 0.00 0.00 0.00 175.10 175.74 3cfn s THR 123 N 0.78 1.73 -2.87 3.92 -4.23 -0.44 -4.98 115.64 109.55 3cfn s THR 123 Ca -0.03 -1.55 0.25 0.00 -1.18 0.00 0.00 61.69 59.18 3cfn s THR 123 Cb -0.15 -1.57 0.28 0.00 1.34 0.00 0.00 72.50 72.41 3cfn s THR 123 CO 0.01 -0.06 1.38 -3.20 -0.54 0.00 0.00 174.62 172.22