#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 0.19 -3.61 0.00 -0.04 -1.26 -4.73 135.00 125.55 3cfn n PRO 11 Ca 0.00 0.16 -0.22 0.00 -0.04 0.00 0.00 63.50 63.40 3cfn n PRO 11 Cb 0.00 -1.72 -0.16 0.00 -0.04 0.00 0.00 33.50 31.57 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 -4.12 0.16 0.10 1.53 2.96 -1.26 -0.54 118.68 117.51 3cfn s LEU 12 Ca 0.12 -0.26 0.10 0.00 -0.22 0.00 0.00 54.13 53.87 3cfn s LEU 12 Cb 0.14 -0.04 -0.04 0.00 0.50 0.00 0.00 46.19 46.76 3cfn s LEU 12 CO 0.58 -0.31 -0.26 -0.32 -1.32 0.00 0.00 176.35 174.72 3cfn s MET 13 N 2.20 1.53 -0.04 1.98 -2.45 0.30 -4.42 119.30 118.39 3cfn s MET 13 Ca 0.04 -1.25 0.04 0.00 -1.25 0.00 0.00 55.69 53.27 3cfn s MET 13 Cb -0.14 -1.89 -0.00 0.00 1.25 0.00 0.00 34.83 34.04 3cfn s MET 13 CO -0.08 0.46 -0.18 0.08 1.05 0.00 0.00 175.02 176.36 3cfn s VAL 14 N -0.97 1.48 -0.03 10.11 1.01 -0.87 -0.99 120.40 130.14 3cfn s VAL 14 Ca 0.13 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.39 3cfn s VAL 14 Cb -0.10 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.01 3cfn s VAL 14 CO 0.04 0.43 -0.11 -0.54 0.00 0.00 0.00 175.10 174.92 3cfn s LYS 15 N 0.00 1.21 -0.07 2.72 1.02 0.42 -0.24 119.74 124.79 3cfn s LYS 15 Ca -0.03 -0.39 0.01 0.00 0.02 0.00 0.00 55.97 55.57 3cfn s LYS 15 Cb -0.12 -1.10 0.02 0.00 -0.52 0.00 0.00 37.83 36.12 3cfn s LYS 15 CO 0.02 0.15 -0.09 0.08 -0.92 0.00 0.00 175.35 174.59 3cfn s VAL 16 N 0.16 0.98 -0.03 3.17 1.01 -0.04 -0.28 120.40 125.36 3cfn s VAL 16 Ca -0.03 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.64 3cfn s VAL 16 Cb -0.09 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 3cfn s VAL 16 CO 0.01 0.33 -0.17 -0.22 0.00 0.00 0.00 175.10 175.05 3cfn s LEU 17 N 0.99 2.57 -0.38 3.92 0.20 0.22 -0.52 118.68 125.68 3cfn s LEU 17 Ca -0.09 -0.29 -0.15 0.00 0.69 0.00 0.00 54.13 54.29 3cfn s LEU 17 Cb -0.15 -1.50 0.00 0.00 -0.43 0.00 0.00 46.19 44.11 3cfn s LEU 17 CO -0.00 0.33 0.34 -0.62 -0.29 0.00 0.00 176.35 176.10 3cfn s ASP 18 N -0.81 6.14 0.00 3.68 -1.08 0.10 -0.38 116.67 124.32 3cfn s ASP 18 Ca 0.12 -0.54 0.28 0.00 -0.52 0.00 0.00 52.55 51.89 3cfn s ASP 18 Cb -0.10 -2.18 1.11 0.00 -1.46 0.00 0.00 42.92 40.29 3cfn s ASP 18 CO 0.01 -0.40 1.80 0.00 0.52 0.00 0.00 175.17 177.11 3cfn n ALA 19 N 5.31 2.79 0.07 3.66 0.00 0.45 -1.23 120.51 131.56 3cfn n ALA 19 Ca -0.10 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 52.87 3cfn n ALA 19 Cb 0.48 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 18.45 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 0.32 0.92 0.00 0.00 2.07 -1.93 -3.39 116.25 114.23 3cfn h VAL 20 Ca 0.00 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.01 3cfn h VAL 20 Cb 0.41 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 3cfn h VAL 20 CO 0.00 0.86 -1.43 0.54 0.02 0.00 0.00 177.57 177.56 3cfn n ARG 21 N -3.59 0.60 -2.89 1.57 1.74 -1.23 -5.01 116.66 107.85 3cfn n ARG 21 Ca -0.25 -0.09 -0.11 0.00 -0.77 0.00 0.00 57.85 56.62 3cfn n ARG 21 Cb 1.08 -1.45 0.06 0.00 -1.02 0.00 0.00 32.46 31.13 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 1.41 -0.34 3.25 -0.13 0.00 -0.37 -5.05 105.19 103.97 3cfn n GLY 22 Ca -0.00 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.64 -0.04 0.38 1.61 1.04 -1.03 -5.01 113.70 107.01 3cfn s SER 23 Ca 0.15 -0.48 -0.26 0.00 0.48 0.00 0.00 55.95 55.84 3cfn s SER 23 Cb -0.02 0.40 -0.11 0.00 0.10 0.00 0.00 66.02 66.39 3cfn s SER 23 CO 0.52 -0.77 1.19 -2.65 0.98 0.00 0.00 173.24 172.51 3cfn n PRO 24 N -0.09 1.80 -2.98 4.02 -0.02 -1.26 0.01 135.00 136.48 3cfn n PRO 24 Ca -0.16 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 3cfn n PRO 24 Cb 0.63 -2.23 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 3cfn n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cfn s ALA 25 N -1.17 3.27 0.11 3.55 0.00 0.32 -4.58 121.76 123.26 3cfn s ALA 25 Ca 0.59 -1.30 -0.09 0.00 0.00 0.00 0.00 51.96 51.17 3cfn s ALA 25 Cb -0.56 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 18.99 3cfn s ALA 25 CO 0.59 -2.09 0.43 0.42 0.00 0.00 0.00 175.76 175.10 3cfn s ILE 26 N 3.31 5.07 -1.51 0.00 1.01 -1.26 -4.33 121.20 123.48 3cfn s ILE 26 Ca 0.25 0.42 -0.03 0.00 0.00 0.00 0.00 60.65 61.29 3cfn s ILE 26 Cb -0.14 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.68 3cfn s ILE 26 CO 0.18 0.20 0.36 -3.20 0.00 0.00 0.00 174.94 172.49 3cfn n ASN 27 N 0.65 -5.70 -4.67 3.58 5.15 -0.62 -4.94 115.26 108.70 3cfn n ASN 27 Ca -0.06 -0.18 -0.39 0.00 -0.60 0.00 0.00 54.58 53.35 3cfn n ASN 27 Cb 0.52 -4.60 -0.06 0.00 -0.53 0.00 0.00 39.78 35.11 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 -3.07 5.07 0.21 3.44 1.01 -1.26 -4.76 120.40 121.04 3cfn s VAL 28 Ca 0.18 1.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.97 3cfn s VAL 28 Cb -0.08 -3.90 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 3cfn s VAL 28 CO 0.22 0.17 1.21 0.00 0.00 0.00 0.00 175.10 176.70 3cfn s ALA 29 N 1.59 3.46 -0.09 5.51 0.00 -1.26 -1.29 121.76 129.68 3cfn s ALA 29 Ca 0.28 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.25 3cfn s ALA 29 Cb -0.16 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.56 3cfn s ALA 29 CO 0.11 -0.40 -0.11 0.08 0.00 0.00 0.00 175.76 175.44 3cfn s VAL 30 N -0.28 1.11 -0.12 0.00 1.01 0.70 -1.31 120.40 121.51 3cfn s VAL 30 Ca 0.52 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.11 3cfn s VAL 30 Cb -0.34 -1.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 3cfn s VAL 30 CO 0.39 0.36 -0.20 -1.00 0.00 0.00 0.00 175.10 174.65 3cfn s HIS 31 N 1.07 2.67 -0.10 5.22 3.76 0.10 -1.50 115.29 126.50 3cfn s HIS 31 Ca -0.07 -1.01 -0.01 0.00 -0.15 0.00 0.00 55.06 53.81 3cfn s HIS 31 Cb -0.15 -1.78 -0.03 0.00 1.11 0.00 0.00 32.58 31.73 3cfn s HIS 31 CO -0.01 -0.42 -0.04 0.08 -0.85 0.00 0.00 174.74 173.50 3cfn s VAL 32 N 0.50 3.88 0.08 -0.90 1.01 0.15 0.13 120.40 125.26 3cfn s VAL 32 Ca -0.13 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.53 3cfn s VAL 32 Cb -0.17 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 3cfn s VAL 32 CO 0.05 0.56 -0.19 -0.36 0.00 0.00 0.00 175.10 175.16 3cfn s PHE 33 N -0.38 1.60 -0.08 5.22 0.40 0.85 -0.62 117.98 124.96 3cfn s PHE 33 Ca 0.06 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 3cfn s PHE 33 Cb -0.12 -0.90 -0.03 0.00 0.51 0.00 0.00 43.02 42.48 3cfn s PHE 33 CO 0.02 0.14 -0.09 0.50 0.70 0.00 0.00 175.22 176.50 3cfn s ARG 34 N -1.72 2.89 -0.19 0.44 3.52 0.43 -0.50 118.95 123.82 3cfn s ARG 34 Ca 0.04 -0.59 -0.29 0.00 -0.13 0.00 0.00 55.73 54.76 3cfn s ARG 34 Cb -0.10 -2.60 -0.01 0.00 -1.56 0.00 0.00 34.95 30.69 3cfn s ARG 34 CO 0.03 0.55 1.21 0.21 -0.81 0.00 0.00 175.30 176.49 3cfn s LYS 35 N -0.51 4.22 0.81 5.12 2.20 -0.38 -0.51 119.74 130.68 3cfn s LYS 35 Ca 0.07 1.57 -0.12 0.00 -0.36 0.00 0.00 55.97 57.13 3cfn s LYS 35 Cb -0.12 -3.74 0.08 0.00 -1.51 0.00 0.00 37.83 32.54 3cfn s LYS 35 CO 0.02 -0.71 1.18 0.00 -0.36 0.00 0.00 175.35 175.48 3cfn s ALA 36 N 3.47 2.65 0.52 3.13 0.00 -0.06 -4.74 121.76 126.73 3cfn s ALA 36 Ca 0.52 -0.68 0.18 0.00 0.00 0.00 0.00 51.96 51.99 3cfn s ALA 36 Cb -0.20 -2.94 1.34 0.00 0.00 0.00 0.00 23.12 21.32 3cfn s ALA 36 CO 0.13 -1.69 2.15 0.00 0.00 0.00 0.00 175.76 176.35 3cfn h ALA 37 N -1.06 1.88 -0.32 0.00 0.00 -1.96 -1.75 119.26 116.05 3cfn h ALA 37 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3cfn h ALA 37 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3cfn h ALA 37 CO 0.65 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.52 3cfn n ASP 38 N -4.39 3.45 -0.19 0.00 5.75 -1.26 -4.91 116.55 115.00 3cfn n ASP 38 Ca -0.03 -2.46 -0.02 0.00 -0.01 0.00 0.00 54.79 52.27 3cfn n ASP 38 Cb 0.10 -0.57 -0.01 0.00 -1.03 0.00 0.00 41.12 39.61 3cfn n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3cfn n ASP 39 N 0.38 -4.66 -4.93 -1.12 8.00 -0.66 -5.02 116.55 108.54 3cfn n ASP 39 Ca 0.15 0.06 -0.25 0.00 0.71 0.00 0.00 54.79 55.46 3cfn n ASP 39 Cb 0.73 -2.37 0.00 0.00 -0.02 0.00 0.00 41.12 39.46 3cfn n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3cfn s THR 40 N -1.63 4.63 -0.31 -3.53 -4.23 -1.26 -4.84 115.64 104.46 3cfn s THR 40 Ca 0.00 -0.20 -0.17 0.00 -1.18 0.00 0.00 61.69 60.15 3cfn s THR 40 Cb 0.00 -3.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.09 3cfn s THR 40 CO 0.00 -0.60 0.45 0.26 -0.54 0.00 0.00 174.62 174.20 3cfn s TRP 41 N -2.59 3.22 -0.22 3.99 0.52 -1.26 -0.88 118.94 121.71 3cfn s TRP 41 Ca 0.46 0.29 -0.09 0.00 0.02 0.00 0.00 56.10 56.77 3cfn s TRP 41 Cb -0.10 -2.76 -0.05 0.00 -1.15 0.00 0.00 33.47 29.42 3cfn s TRP 41 CO 0.40 -0.40 0.12 -2.00 0.02 0.00 0.00 176.95 175.10 3cfn s GLU 42 N 2.24 4.03 0.27 4.98 2.12 0.33 -4.91 118.70 127.75 3cfn s GLU 42 Ca 0.17 -0.30 -0.30 0.00 0.36 0.00 0.00 54.97 54.90 3cfn s GLU 42 Cb -0.16 -3.42 -0.13 0.00 0.26 0.00 0.00 34.13 30.68 3cfn s GLU 42 CO 0.11 0.12 1.37 -2.30 -0.54 0.00 0.00 175.26 174.03 3cfn n PRO 43 N 4.05 2.06 0.00 4.30 -0.02 -1.26 -0.43 135.00 143.70 3cfn n PRO 43 Ca -0.16 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3cfn n PRO 43 Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 1.41 0.00 -3.46 6.00 7.35 0.20 -4.78 117.46 124.18 3cfn n PHE 44 Ca 0.09 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.66 3cfn n PHE 44 Cb 0.33 0.12 -0.03 0.00 0.35 0.00 0.00 39.48 40.26 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 -1.95 -1.53 0.19 3.13 0.00 -0.96 -5.01 121.76 115.62 3cfn s ALA 45 Ca 0.00 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.31 3cfn s ALA 45 Cb 0.00 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.89 3cfn s ALA 45 CO 0.00 -0.70 0.53 -1.54 0.00 0.00 0.00 175.76 174.05 3cfn s SER 46 N -2.53 -0.28 0.00 0.00 1.04 -1.26 0.35 113.70 111.02 3cfn s SER 46 Ca -0.01 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.98 3cfn s SER 46 Cb -0.01 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3cfn s SER 46 CO -0.10 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.69 3cfn n GLY 47 N -0.34 -1.20 3.19 7.32 0.00 -0.56 -4.98 105.19 108.62 3cfn n GLY 47 Ca -0.10 -0.89 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.77 1.24 0.48 1.61 1.02 -1.26 -0.21 119.74 121.84 3cfn s LYS 48 Ca 0.00 -0.79 -0.23 0.00 0.02 0.00 0.00 55.97 54.96 3cfn s LYS 48 Cb 0.00 -1.28 -0.07 0.00 -0.52 0.00 0.00 37.83 35.96 3cfn s LYS 48 CO 0.00 0.33 1.29 0.95 -0.92 0.00 0.00 175.35 177.00 3cfn s THR 49 N -0.71 2.53 0.27 2.17 -4.23 -0.41 -4.78 115.64 110.49 3cfn s THR 49 Ca 0.05 0.42 -0.05 0.00 -1.18 0.00 0.00 61.69 60.94 3cfn s THR 49 Cb -0.08 -3.22 0.06 0.00 1.34 0.00 0.00 72.50 70.60 3cfn s THR 49 CO 0.01 0.01 0.33 -1.54 -0.54 0.00 0.00 174.62 172.89 3cfn n SER 50 N -0.55 -0.38 0.26 3.99 3.41 0.59 -1.60 113.62 119.35 3cfn n SER 50 Ca 0.08 -0.99 0.12 0.00 -0.26 0.00 0.00 58.87 57.82 3cfn n SER 50 Cb 0.45 -0.26 0.73 0.00 -0.26 0.00 0.00 64.21 64.87 3cfn n SER 50 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3cfn h GLU 51 N 0.00 0.00 -0.16 4.33 4.57 -1.94 -0.22 114.58 121.16 3cfn h GLU 51 Ca -0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 3cfn h GLU 51 Cb 0.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3cfn h GLU 51 CO 0.08 0.10 0.00 -1.13 -1.18 0.00 0.00 179.01 176.87 3cfn n SER 52 N -3.85 1.54 -0.27 1.04 3.41 -1.26 -4.79 113.62 109.43 3cfn n SER 52 Ca -0.02 -1.70 -0.04 0.00 -0.26 0.00 0.00 58.87 56.85 3cfn n SER 52 Cb 0.19 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 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 1.10 0.66 3.56 5.00 0.00 -0.09 -4.77 105.19 110.65 3cfn n GLY 53 Ca 0.16 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.04 2.08 -0.18 1.61 2.02 -1.26 -0.87 118.70 120.06 3cfn s GLU 54 Ca 0.00 -1.04 -0.01 0.00 0.02 0.00 0.00 54.97 53.94 3cfn s GLU 54 Cb 0.00 -2.28 0.05 0.00 0.10 0.00 0.00 34.13 32.00 3cfn s GLU 54 CO 0.00 0.51 -0.03 -1.17 0.02 0.00 0.00 175.26 174.59 3cfn s LEU 55 N -2.17 1.64 0.40 1.80 2.96 0.66 -0.30 118.68 123.67 3cfn s LEU 55 Ca 0.21 -0.78 0.07 0.00 -0.22 0.00 0.00 54.13 53.41 3cfn s LEU 55 Cb -0.11 -0.86 -0.05 0.00 0.50 0.00 0.00 46.19 45.67 3cfn s LEU 55 CO 0.13 -0.23 0.18 -1.00 -1.32 0.00 0.00 176.35 174.11 3cfn s HIS 56 N 1.66 2.62 -1.09 5.38 3.76 -1.26 -2.06 115.29 124.30 3cfn s HIS 56 Ca -0.01 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.34 3cfn s HIS 56 Cb -0.16 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.60 3cfn s HIS 56 CO -0.07 0.20 0.00 0.41 -0.85 0.00 0.00 174.74 174.42 3cfn n GLY 57 N -1.23 -0.12 0.26 -2.22 0.00 -1.26 -4.92 105.19 95.69 3cfn n GLY 57 Ca -0.01 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 0.95 0.00 0.99 3.38 -1.87 -3.48 115.31 115.29 3cfn h LEU 58 Ca -0.30 -0.46 -0.20 0.00 0.09 0.00 0.00 57.88 57.01 3cfn h LEU 58 Cb 1.21 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 3cfn h LEU 58 CO 0.36 1.25 -0.11 1.07 0.09 0.00 0.00 178.44 181.10 3cfn n THR 59 N -4.04 0.00 -4.38 0.22 5.66 -1.26 -4.79 114.28 105.69 3cfn n THR 59 Ca -0.03 -1.29 -0.21 0.00 -3.05 0.00 0.00 64.05 59.48 3cfn n THR 59 Cb 0.57 0.79 -0.10 0.00 -1.55 0.00 0.00 70.33 70.04 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 -2.71 1.98 0.26 1.09 -4.23 -1.26 -4.61 115.64 106.16 3cfn s THR 60 Ca 0.21 -2.23 -0.02 0.00 -1.18 0.00 0.00 61.69 58.47 3cfn s THR 60 Cb -0.01 -2.10 0.25 0.00 1.34 0.00 0.00 72.50 71.99 3cfn s THR 60 CO 0.15 -0.49 1.84 -0.08 -0.54 0.00 0.00 174.62 175.50 3cfn h GLU 61 N 2.57 0.97 -0.73 3.99 4.57 -1.98 0.33 114.58 124.29 3cfn h GLU 61 Ca -0.39 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 57.75 3cfn h GLU 61 Cb 1.23 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 29.56 3cfn h GLU 61 CO 0.60 0.64 0.47 1.49 -1.18 0.00 0.00 179.01 181.03 3cfn h GLU 62 N 1.00 0.91 0.00 1.92 4.81 -2.04 -3.10 114.58 118.07 3cfn h GLU 62 Ca 0.44 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.51 3cfn h GLU 62 Cb 0.32 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3cfn h GLU 62 CO -0.22 0.60 -1.10 0.93 -0.73 0.00 0.00 179.01 178.48 3cfn h GLU 63 N 0.93 0.00 -3.31 1.92 5.08 -1.84 -3.40 114.58 113.96 3cfn h GLU 63 Ca 0.28 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.93 3cfn h GLU 63 Cb -0.04 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 3cfn h GLU 63 CO -0.09 0.22 2.98 0.34 -1.00 0.00 0.00 179.01 181.46 3cfn n PHE 64 N -2.88 2.88 -1.69 4.33 7.35 0.06 -4.95 117.46 122.55 3cfn n PHE 64 Ca -0.05 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.40 3cfn n PHE 64 Cb 0.73 -2.27 0.08 0.00 0.35 0.00 0.00 39.48 38.37 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 1.42 2.89 0.54 -2.13 -7.23 -1.26 -4.94 120.40 109.68 3cfn s VAL 65 Ca 0.54 0.29 -0.21 0.00 -1.81 0.00 0.00 61.98 60.79 3cfn s VAL 65 Cb 0.15 -3.14 -0.06 0.00 0.56 0.00 0.00 36.38 33.89 3cfn s VAL 65 CO -0.06 -0.38 1.13 -0.62 -0.31 0.00 0.00 175.10 174.86 3cfn n GLU 66 N -3.34 1.32 0.00 4.82 1.02 -1.26 -4.87 120.64 118.33 3cfn n GLU 66 Ca 0.07 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 3cfn n GLU 66 Cb 0.58 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 3cfn n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cfn n GLY 67 N 1.06 0.75 3.74 0.62 0.00 -1.17 -4.97 105.19 105.22 3cfn n GLY 67 Ca 0.11 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.73 5.17 0.15 -0.61 1.01 -1.26 -0.09 121.20 123.83 3cfn s ILE 68 Ca 0.00 0.91 0.10 0.00 0.00 0.00 0.00 60.65 61.66 3cfn s ILE 68 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3cfn s ILE 68 CO 0.00 0.37 -0.23 -0.31 0.00 0.00 0.00 174.94 174.76 3cfn s TYR 69 N 0.37 2.10 -0.10 3.97 1.51 0.34 -1.25 117.35 124.28 3cfn s TYR 69 Ca 0.25 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 3cfn s TYR 69 Cb -0.15 -1.10 0.01 0.00 -0.11 0.00 0.00 41.96 40.61 3cfn s TYR 69 CO 0.10 0.35 -0.16 0.21 -1.11 0.00 0.00 175.55 174.95 3cfn s LYS 70 N -2.31 2.23 -0.26 -0.62 2.20 0.34 -1.35 119.74 119.98 3cfn s LYS 70 Ca 0.14 -0.57 -0.07 0.00 -0.36 0.00 0.00 55.97 55.11 3cfn s LYS 70 Cb -0.09 -1.88 -0.01 0.00 -1.51 0.00 0.00 37.83 34.34 3cfn s LYS 70 CO 0.07 -0.04 0.06 0.08 -0.36 0.00 0.00 175.35 175.16 3cfn s VAL 71 N 0.92 4.08 -0.25 4.02 1.01 0.13 -0.11 120.40 130.20 3cfn s VAL 71 Ca -0.08 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 3cfn s VAL 71 Cb -0.15 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 3cfn s VAL 71 CO -0.00 0.26 0.07 -0.70 0.00 0.00 0.00 175.10 174.72 3cfn s GLU 72 N 1.56 3.65 -0.27 2.72 2.12 0.12 -0.82 118.70 127.78 3cfn s GLU 72 Ca 0.05 -0.48 -0.05 0.00 0.36 0.00 0.00 54.97 54.84 3cfn s GLU 72 Cb -0.16 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.93 3cfn s GLU 72 CO 0.02 -0.18 0.03 0.42 -0.54 0.00 0.00 175.26 175.01 3cfn s ILE 73 N 1.59 3.72 -1.20 -3.70 1.01 0.13 -0.72 121.20 122.03 3cfn s ILE 73 Ca 0.06 -0.64 -0.20 0.00 0.00 0.00 0.00 60.65 59.87 3cfn s ILE 73 Cb -0.15 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 3cfn s ILE 73 CO 0.03 0.20 1.89 -0.67 0.00 0.00 0.00 174.94 176.39 3cfn n ASP 74 N 4.83 3.76 0.09 3.58 2.03 -0.43 -1.23 116.55 129.18 3cfn n ASP 74 Ca -0.16 -2.79 -0.07 0.00 0.52 0.00 0.00 54.79 52.29 3cfn n ASP 74 Cb 0.49 -1.66 0.05 0.00 -0.72 0.00 0.00 41.12 39.28 3cfn n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3cfn h THR 75 N 5.55 1.45 -0.18 5.18 1.35 -1.88 -3.23 112.91 121.16 3cfn h THR 75 Ca 0.36 -2.34 -0.00 0.00 -0.55 0.00 0.00 66.41 63.88 3cfn h THR 75 Cb 0.85 2.26 -0.01 0.00 -1.73 0.00 0.00 68.15 69.53 3cfn h THR 75 CO 1.46 0.68 0.10 0.50 -0.25 0.00 0.00 175.52 178.01 3cfn h LYS 76 N 0.13 0.24 -0.44 4.72 3.64 -1.69 -2.22 116.57 120.97 3cfn h LYS 76 Ca -0.03 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 3cfn h LYS 76 Cb 1.32 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 3cfn h LYS 76 CO 0.11 0.22 0.12 0.77 -2.27 0.00 0.00 179.45 178.41 3cfn h SER 77 N 0.20 0.58 0.18 4.20 0.02 -1.84 -0.77 113.55 116.13 3cfn h SER 77 Ca 0.06 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3cfn h SER 77 Cb 0.05 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 3cfn h SER 77 CO -0.01 0.57 -0.12 0.22 -1.14 0.00 0.00 176.83 176.35 3cfn h TYR 78 N 0.63 -0.30 -0.36 3.45 3.20 -1.49 -1.98 116.97 120.12 3cfn h TYR 78 Ca 0.15 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 3cfn h TYR 78 Cb 0.21 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3cfn h TYR 78 CO 0.01 -0.18 -0.12 -1.49 -1.64 0.00 0.00 178.16 174.73 3cfn h TRP 79 N -0.29 0.69 -0.79 -3.82 4.06 -1.16 -2.93 115.95 111.70 3cfn h TRP 79 Ca -0.02 -0.12 0.03 0.00 2.06 0.00 0.00 58.89 60.85 3cfn h TRP 79 Cb 0.25 -0.18 -0.05 0.00 -1.00 0.00 0.00 29.16 28.18 3cfn h TRP 79 CO -0.09 0.73 0.51 0.87 -3.56 0.00 0.00 178.44 176.89 3cfn h LYS 80 N 0.58 0.96 0.00 0.49 1.57 -0.99 -1.20 116.57 117.98 3cfn h LYS 80 Ca 0.10 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3cfn h LYS 80 Cb 0.55 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3cfn h LYS 80 CO 0.03 0.64 -0.06 0.00 -0.57 0.00 0.00 179.45 179.49 3cfn h ALA 81 N 1.33 1.11 -0.02 3.86 0.00 -1.18 -1.72 119.26 122.64 3cfn h ALA 81 Ca 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3cfn h ALA 81 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3cfn h ALA 81 CO -0.11 0.08 -0.09 1.28 0.00 0.00 0.00 179.25 180.41 3cfn n LEU 82 N -3.32 2.01 -1.51 0.00 4.32 -0.71 -4.96 117.00 112.83 3cfn n LEU 82 Ca -0.01 -0.67 -0.12 0.00 -0.02 0.00 0.00 56.01 55.19 3cfn n LEU 82 Cb 0.24 -0.02 0.01 0.00 -1.62 0.00 0.00 43.42 42.03 3cfn n LEU 82 CO 0.27 0.34 -0.08 0.61 -1.22 0.00 0.00 177.39 177.31 3cfn n GLY 83 N 1.29 -0.05 3.20 -0.72 0.00 -0.65 -5.02 105.19 103.24 3cfn n GLY 83 Ca 0.15 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.71 2.05 -0.36 -0.61 1.01 -0.54 -5.03 121.20 115.01 3cfn s ILE 84 Ca 0.07 -1.00 -0.29 0.00 0.00 0.00 0.00 60.65 59.44 3cfn s ILE 84 Cb -0.03 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.66 3cfn s ILE 84 CO 0.09 0.55 1.39 -0.55 0.00 0.00 0.00 174.94 176.43 3cfn s SER 85 N 0.49 6.45 0.37 3.58 0.15 -1.26 -3.93 113.70 119.56 3cfn s SER 85 Ca -0.15 1.02 0.03 0.00 0.70 0.00 0.00 55.95 57.55 3cfn s SER 85 Cb -0.17 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.58 3cfn s SER 85 CO 0.06 -1.30 0.55 -2.16 1.20 0.00 0.00 173.24 171.59 3cfn s PRO 86 N 4.65 3.21 -0.18 5.44 0.04 -1.26 -4.84 135.00 142.05 3cfn s PRO 86 Ca 0.60 -0.64 -0.24 0.00 0.04 0.00 0.00 61.00 60.76 3cfn s PRO 86 Cb -0.16 -2.69 -0.21 0.00 0.04 0.00 0.00 34.50 31.48 3cfn s PRO 86 CO 0.29 -0.01 0.39 0.35 0.04 0.00 0.00 177.00 178.06 3cfn h PHE 87 N 0.70 0.00 -3.77 0.56 3.57 -1.26 -3.49 116.94 113.26 3cfn h PHE 87 Ca -0.47 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.54 3cfn h PHE 87 Cb 1.24 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 3cfn h PHE 87 CO 0.45 1.28 0.16 -1.01 -2.23 0.00 0.00 178.31 176.96 3cfn s HIS 88 N -2.30 3.42 0.01 0.41 3.76 -1.26 -4.99 115.29 114.34 3cfn s HIS 88 Ca -0.25 1.35 -0.21 0.00 -0.15 0.00 0.00 55.06 55.79 3cfn s HIS 88 Cb 0.03 -2.63 -0.17 0.00 1.11 0.00 0.00 32.58 30.92 3cfn s HIS 88 CO 0.61 0.10 1.26 0.93 -0.85 0.00 0.00 174.74 176.79 3cfn h GLU 89 N 2.43 0.30 -3.08 1.40 4.39 -1.97 -3.36 114.58 114.69 3cfn h GLU 89 Ca -0.48 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.05 3cfn h GLU 89 Cb 1.18 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.77 3cfn h GLU 89 CO 0.64 0.78 0.18 -3.38 -1.16 0.00 0.00 179.01 176.07 3cfn s HIS 90 N -4.00 -0.26 -0.06 4.33 -3.43 -1.26 -3.04 115.29 107.57 3cfn s HIS 90 Ca -0.15 -0.10 -0.13 0.00 -0.80 0.00 0.00 55.06 53.89 3cfn s HIS 90 Cb 0.04 0.59 -0.05 0.00 -1.43 0.00 0.00 32.58 31.73 3cfn s HIS 90 CO 0.75 -1.06 0.33 0.00 -2.00 0.00 0.00 174.74 172.76 3cfn s ALA 91 N -3.86 3.72 -0.08 -1.38 0.00 -0.36 -4.90 121.76 114.89 3cfn s ALA 91 Ca 0.08 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.73 3cfn s ALA 91 Cb -0.03 -2.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.78 3cfn s ALA 91 CO -0.01 0.45 -0.23 -1.21 0.00 0.00 0.00 175.76 174.76 3cfn s GLU 92 N -0.80 2.81 -0.22 0.00 2.02 -1.26 -0.70 118.70 120.56 3cfn s GLU 92 Ca 0.21 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 54.34 3cfn s GLU 92 Cb -0.15 -2.27 0.05 0.00 0.10 0.00 0.00 34.13 31.86 3cfn s GLU 92 CO 0.10 0.31 -0.07 0.08 0.02 0.00 0.00 175.26 175.70 3cfn s VAL 93 N 0.04 1.55 -0.15 2.63 1.01 -0.00 -4.98 120.40 120.49 3cfn s VAL 93 Ca -0.09 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 60.76 3cfn s VAL 93 Cb -0.15 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.48 3cfn s VAL 93 CO 0.06 -0.02 -0.18 -0.69 0.00 0.00 0.00 175.10 174.27 3cfn s VAL 94 N 1.40 2.39 0.07 2.92 1.01 -1.26 0.20 120.40 127.13 3cfn s VAL 94 Ca -0.04 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 60.89 3cfn s VAL 94 Cb -0.18 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.25 3cfn s VAL 94 CO -0.07 0.53 0.42 0.72 0.00 0.00 0.00 175.10 176.70 3cfn s PHE 95 N 0.86 -0.27 -0.23 5.22 -0.71 -0.46 -5.00 117.98 117.41 3cfn s PHE 95 Ca -0.05 0.15 -0.19 0.00 -1.04 0.00 0.00 56.93 55.79 3cfn s PHE 95 Cb -0.15 0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 41.88 3cfn s PHE 95 CO -0.02 -0.62 0.58 0.99 -1.34 0.00 0.00 175.22 174.81 3cfn s THR 96 N -2.91 5.04 -0.19 -4.49 2.01 -1.26 -0.50 115.64 113.34 3cfn s THR 96 Ca -0.03 1.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.73 3cfn s THR 96 Cb 0.00 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 3cfn s THR 96 CO -0.05 0.10 1.23 0.00 -0.69 0.00 0.00 174.62 175.21 3cfn s ALA 97 N 2.07 3.63 0.08 7.40 0.00 0.87 -4.73 121.76 131.08 3cfn s ALA 97 Ca 0.25 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.58 3cfn s ALA 97 Cb -0.16 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.34 3cfn s ALA 97 CO 0.09 -1.23 0.00 0.09 0.00 0.00 0.00 175.76 174.72 3cfn n ASN 98 N 6.69 -1.96 -0.07 0.00 4.13 -1.26 -3.04 115.26 119.75 3cfn n ASN 98 Ca 0.14 0.22 -0.06 0.00 1.68 0.00 0.00 54.58 56.55 3cfn n ASN 98 Cb 0.45 0.09 -0.03 0.00 -1.54 0.00 0.00 39.78 38.75 3cfn n ASN 98 CO 0.00 0.00 0.00 -0.78 0.28 0.00 0.00 177.26 176.76 3cfn h ASP 99 N 0.20 0.00 0.00 6.41 3.58 -2.02 -3.47 116.42 121.12 3cfn h ASP 99 Ca 0.00 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.27 3cfn h ASP 99 Cb 0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.08 3cfn h ASP 99 CO 0.00 0.76 0.00 -0.24 -2.88 0.00 0.00 179.24 176.88 3cfn n SER 100 N -4.66 0.00 0.00 2.28 2.88 -1.26 -5.12 113.62 107.74 3cfn n SER 100 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 3cfn n SER 100 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 3cfn n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cfn n GLY 101 N 0.00 1.48 2.54 0.46 0.00 -1.26 -5.07 105.19 103.34 3cfn n GLY 101 Ca 0.00 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 3cfn n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3cfn n PRO 102 N 1.75 0.00 0.00 1.61 -0.02 -1.26 -5.00 135.00 132.09 3cfn n PRO 102 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3cfn n PRO 102 Cb 0.00 -0.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 3cfn n PRO 102 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3cfn n ARG 103 N 0.76 0.00 -3.99 -0.52 1.85 -1.26 -5.07 116.66 108.43 3cfn n ARG 103 Ca 0.13 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.63 3cfn n ARG 103 Cb 0.19 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.50 3cfn n ARG 103 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3cfn s ARG 104 N 1.46 3.94 -0.22 2.89 1.81 -0.41 -4.70 118.95 123.72 3cfn s ARG 104 Ca 0.00 -0.36 -0.04 0.00 -1.72 0.00 0.00 55.73 53.61 3cfn s ARG 104 Cb 0.00 -3.23 -0.01 0.00 -0.45 0.00 0.00 34.95 31.26 3cfn s ARG 104 CO 0.00 0.22 -0.02 0.71 -0.68 0.00 0.00 175.30 175.53 3cfn s TYR 105 N 0.51 2.98 -0.27 -0.53 2.02 0.30 -1.58 117.35 120.77 3cfn s TYR 105 Ca 0.03 -0.83 -0.04 0.00 -0.37 0.00 0.00 57.07 55.86 3cfn s TYR 105 Cb -0.13 -2.12 0.02 0.00 -0.40 0.00 0.00 41.96 39.33 3cfn s TYR 105 CO 0.01 -0.50 0.01 0.99 -1.57 0.00 0.00 175.55 174.49 3cfn s THR 106 N 1.46 3.47 -0.31 -0.71 2.01 0.02 -0.54 115.64 121.04 3cfn s THR 106 Ca 0.05 -0.83 -0.13 0.00 0.31 0.00 0.00 61.69 61.10 3cfn s THR 106 Cb -0.14 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 3cfn s THR 106 CO -0.02 0.14 0.25 -0.63 -0.69 0.00 0.00 174.62 173.67 3cfn s ILE 107 N 1.42 5.27 -0.01 1.82 -1.09 -0.16 -0.84 121.20 127.61 3cfn s ILE 107 Ca 0.02 0.01 0.02 0.00 -2.23 0.00 0.00 60.65 58.47 3cfn s ILE 107 Cb -0.17 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 3cfn s ILE 107 CO -0.01 0.08 -0.05 0.00 -1.23 0.00 0.00 174.94 173.73 3cfn s ALA 108 N 1.80 3.07 -0.10 9.38 0.00 -0.44 -0.44 121.76 135.03 3cfn s ALA 108 Ca 0.08 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.07 3cfn s ALA 108 Cb -0.17 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.77 3cfn s ALA 108 CO 0.11 0.61 -0.11 0.00 0.00 0.00 0.00 175.76 176.37 3cfn s ALA 109 N -0.98 1.46 -0.40 0.00 0.00 0.62 -1.21 121.76 121.25 3cfn s ALA 109 Ca 0.17 -0.60 -0.10 0.00 0.00 0.00 0.00 51.96 51.42 3cfn s ALA 109 Cb -0.11 -0.83 0.05 0.00 0.00 0.00 0.00 23.12 22.23 3cfn s ALA 109 CO 0.07 -0.21 0.23 -0.51 0.00 0.00 0.00 175.76 175.34 3cfn s LEU 110 N 1.26 4.91 -0.17 0.00 1.43 0.62 -0.61 118.68 126.13 3cfn s LEU 110 Ca -0.02 -1.23 -0.14 0.00 -1.03 0.00 0.00 54.13 51.70 3cfn s LEU 110 Cb -0.14 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 3cfn s LEU 110 CO -0.04 -0.46 0.30 -0.76 0.23 0.00 0.00 176.35 175.62 3cfn s LEU 111 N 1.49 4.23 0.19 1.79 1.43 0.48 -1.87 118.68 126.42 3cfn s LEU 111 Ca 0.02 0.50 0.08 0.00 -1.03 0.00 0.00 54.13 53.70 3cfn s LEU 111 Cb -0.21 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 3cfn s LEU 111 CO 0.05 0.08 -0.15 -0.44 0.23 0.00 0.00 176.35 176.11 3cfn s SER 112 N 0.55 2.53 0.30 2.29 0.01 0.20 -0.41 113.70 119.16 3cfn s SER 112 Ca 0.17 -0.97 0.01 0.00 1.31 0.00 0.00 55.95 56.47 3cfn s SER 112 Cb -0.13 -0.13 0.55 0.00 0.21 0.00 0.00 66.02 66.52 3cfn s SER 112 CO 0.04 -0.14 1.89 -0.65 0.41 0.00 0.00 173.24 174.79 3cfn h PRO 113 N 2.79 0.97 -0.13 12.44 0.11 -1.98 -3.06 132.00 143.13 3cfn h PRO 113 Ca -0.39 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3cfn h PRO 113 Cb 1.21 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3cfn h PRO 113 CO 0.59 0.64 0.00 0.66 -0.21 0.00 0.00 178.00 179.68 3cfn n TYR 114 N -4.52 0.35 -3.48 0.65 4.02 -1.26 -0.69 117.16 112.23 3cfn n TYR 114 Ca 0.15 -0.79 -0.15 0.00 -0.01 0.00 0.00 57.90 57.10 3cfn n TYR 114 Cb 0.25 -0.16 -0.04 0.00 -0.02 0.00 0.00 39.34 39.37 3cfn n TYR 114 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3cfn s SER 115 N -1.96 -0.60 -0.00 7.72 1.04 -1.16 -4.96 113.70 113.78 3cfn s SER 115 Ca 0.28 0.38 -0.14 0.00 0.48 0.00 0.00 55.95 56.94 3cfn s SER 115 Cb 0.22 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.91 3cfn s SER 115 CO 0.06 -0.75 0.30 -0.72 0.98 0.00 0.00 173.24 173.11 3cfn s TYR 116 N -2.35 -0.16 -0.02 5.02 -0.85 -1.26 -0.63 117.35 117.11 3cfn s TYR 116 Ca -0.05 0.20 0.05 0.00 -0.52 0.00 0.00 57.07 56.75 3cfn s TYR 116 Cb -0.00 0.09 -0.03 0.00 0.38 0.00 0.00 41.96 42.40 3cfn s TYR 116 CO -0.01 -0.40 -0.15 -1.12 -1.52 0.00 0.00 175.55 172.35 3cfn s SER 117 N -1.44 4.00 -0.01 -0.18 0.01 -0.78 -4.97 113.70 110.32 3cfn s SER 117 Ca -0.12 -0.26 0.03 0.00 1.31 0.00 0.00 55.95 56.91 3cfn s SER 117 Cb -0.05 -0.80 -0.01 0.00 0.21 0.00 0.00 66.02 65.38 3cfn s SER 117 CO 0.03 0.31 -0.11 0.28 0.41 0.00 0.00 173.24 174.16 3cfn s THR 118 N -0.81 0.92 0.12 1.44 -1.32 -1.26 -0.28 115.64 114.45 3cfn s THR 118 Ca 0.13 -0.48 0.05 0.00 -1.21 0.00 0.00 61.69 60.17 3cfn s THR 118 Cb -0.11 -0.78 -0.04 0.00 -1.51 0.00 0.00 72.50 70.07 3cfn s THR 118 CO 0.02 0.26 -0.12 0.42 -2.21 0.00 0.00 174.62 173.00 3cfn s THR 119 N -0.18 1.19 -0.09 5.08 -4.23 -0.35 -4.99 115.64 112.07 3cfn s THR 119 Ca 0.03 -1.75 0.02 0.00 -1.18 0.00 0.00 61.69 58.80 3cfn s THR 119 Cb -0.05 -1.53 0.02 0.00 1.34 0.00 0.00 72.50 72.27 3cfn s THR 119 CO -0.00 -0.51 -0.12 0.00 -0.54 0.00 0.00 174.62 173.44 3cfn s ALA 120 N -2.43 1.40 -0.26 3.99 0.00 -1.26 -1.33 121.76 121.87 3cfn s ALA 120 Ca 0.09 -0.54 -0.05 0.00 0.00 0.00 0.00 51.96 51.47 3cfn s ALA 120 Cb -0.03 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.38 3cfn s ALA 120 CO 0.02 -0.06 0.01 0.08 0.00 0.00 0.00 175.76 175.81 3cfn s VAL 121 N 0.99 3.55 -0.27 0.00 1.01 -0.02 -4.98 120.40 120.68 3cfn s VAL 121 Ca -0.08 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 3cfn s VAL 121 Cb -0.15 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.48 3cfn s VAL 121 CO -0.00 0.20 0.02 -0.69 0.00 0.00 0.00 175.10 174.63 3cfn s VAL 122 N 1.45 3.52 0.10 2.92 1.01 -1.26 -0.80 120.40 127.33 3cfn s VAL 122 Ca 0.03 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.24 3cfn s VAL 122 Cb -0.16 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3cfn s VAL 122 CO -0.01 0.14 -0.13 -0.89 0.00 0.00 0.00 175.10 174.21 3cfn s THR 123 N 1.43 1.17 -2.30 3.92 2.01 -0.62 -4.97 115.64 116.28 3cfn s THR 123 Ca 0.02 -1.53 0.30 0.00 0.31 0.00 0.00 61.69 60.78 3cfn s THR 123 Cb -0.17 -1.31 0.69 0.00 0.01 0.00 0.00 72.50 71.72 3cfn s THR 123 CO -0.00 -0.36 1.93 0.59 -0.69 0.00 0.00 174.62 176.09