#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cft h PRO 11 N 0.00 0.00 -3.20 0.00 0.13 -1.89 -3.44 132.00 123.61 3cft h PRO 11 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.69 3cft h PRO 11 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 3cft h PRO 11 CO 0.00 0.04 -0.75 -1.17 -0.23 0.00 0.00 178.00 175.89 3cft s LEU 12 N -6.25 0.40 0.14 1.56 2.96 -1.26 -0.09 118.68 116.14 3cft s LEU 12 Ca 0.04 -0.45 0.05 0.00 -0.22 0.00 0.00 54.13 53.55 3cft s LEU 12 Cb 0.07 -0.27 -0.04 0.00 0.50 0.00 0.00 46.19 46.45 3cft s LEU 12 CO 0.63 -0.31 -0.11 0.00 -1.32 0.00 0.00 176.35 175.23 3cft s MET 13 N 2.11 1.04 -0.02 1.98 0.23 0.27 -4.39 119.30 120.51 3cft s MET 13 Ca 0.02 -1.36 0.04 0.00 -1.03 0.00 0.00 55.69 53.36 3cft s MET 13 Cb -0.15 -0.72 -0.00 0.00 -1.53 0.00 0.00 34.83 32.43 3cft s MET 13 CO -0.07 0.11 -0.13 0.08 -2.03 0.00 0.00 175.02 172.98 3cft s VAL 14 N -2.86 1.05 -0.06 5.16 1.01 -0.75 -0.28 120.40 123.68 3cft s VAL 14 Ca 0.13 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3cft s VAL 14 Cb -0.00 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.49 3cft s VAL 14 CO 0.02 0.31 -0.10 -0.54 0.00 0.00 0.00 175.10 174.78 3cft s LYS 15 N -0.06 1.51 -0.08 2.72 1.02 -0.31 -0.37 119.74 124.17 3cft s LYS 15 Ca 0.00 -0.34 0.03 0.00 0.02 0.00 0.00 55.97 55.68 3cft s LYS 15 Cb -0.08 -1.30 0.01 0.00 -0.52 0.00 0.00 37.83 35.94 3cft s LYS 15 CO 0.00 -0.02 -0.16 0.08 -0.92 0.00 0.00 175.35 174.34 3cft s VAL 16 N 0.79 1.45 0.12 3.17 1.01 0.07 -0.66 120.40 126.35 3cft s VAL 16 Ca -0.13 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.25 3cft s VAL 16 Cb -0.15 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 3cft s VAL 16 CO 0.02 0.43 0.01 -0.76 0.00 0.00 0.00 175.10 174.79 3cft s LEU 17 N 0.58 3.44 -0.34 3.92 1.43 -0.33 -0.94 118.68 126.44 3cft s LEU 17 Ca -0.15 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 3cft s LEU 17 Cb -0.16 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 43.92 3cft s LEU 17 CO 0.05 0.14 0.17 -0.62 0.23 0.00 0.00 176.35 176.33 3cft s ASP 18 N -2.53 5.62 0.08 2.29 -1.08 0.84 -1.30 116.67 120.59 3cft s ASP 18 Ca 0.26 -0.72 0.25 0.00 -0.52 0.00 0.00 52.55 51.82 3cft s ASP 18 Cb -0.11 -2.01 0.99 0.00 -1.46 0.00 0.00 42.92 40.33 3cft s ASP 18 CO 0.19 -0.27 1.78 0.00 0.52 0.00 0.00 175.17 177.38 3cft n ALA 19 N 4.99 2.11 0.01 3.66 0.00 0.16 -0.86 120.51 130.58 3cft n ALA 19 Ca -0.13 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.05 3cft n ALA 19 Cb 0.48 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 3cft n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cft h VAL 20 N 0.00 1.10 0.00 0.00 2.07 -1.95 -3.39 116.25 114.08 3cft h VAL 20 Ca 0.00 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.12 3cft h VAL 20 Cb 0.49 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 3cft h VAL 20 CO 0.00 0.69 -1.13 0.54 0.02 0.00 0.00 177.57 177.68 3cft n ARG 21 N -3.98 0.40 -3.26 1.57 1.74 -1.21 -5.00 116.66 106.91 3cft n ARG 21 Ca -0.24 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.69 3cft n ARG 21 Cb 0.87 -1.64 0.08 0.00 -1.02 0.00 0.00 32.46 30.75 3cft n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cft n GLY 22 N 1.31 -0.58 3.37 -0.13 0.00 -0.04 -5.03 105.19 104.09 3cft n GLY 22 Ca 0.01 0.24 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 3cft n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cft s SER 23 N -3.93 -0.11 0.58 1.61 1.04 -1.13 -5.01 113.70 106.74 3cft s SER 23 Ca 0.16 -0.56 -0.20 0.00 0.48 0.00 0.00 55.95 55.83 3cft s SER 23 Cb -0.02 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 3cft s SER 23 CO 0.69 -0.90 1.32 -2.84 0.98 0.00 0.00 173.24 172.48 3cft s PRO 24 N -3.88 2.93 -0.42 4.02 0.02 -1.26 -0.11 135.00 136.30 3cft s PRO 24 Ca 0.09 2.13 -0.21 0.00 0.02 0.00 0.00 61.00 63.02 3cft s PRO 24 Cb 0.02 -2.08 0.02 0.00 0.02 0.00 0.00 34.50 32.47 3cft s PRO 24 CO -0.06 -1.32 0.67 0.00 -0.33 0.00 0.00 177.00 175.96 3cft s ALA 25 N -1.37 3.36 0.05 -1.55 0.00 -0.12 -4.56 121.76 117.57 3cft s ALA 25 Ca 0.76 -1.10 -0.06 0.00 0.00 0.00 0.00 51.96 51.56 3cft s ALA 25 Cb -0.38 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 3cft s ALA 25 CO 0.43 -1.73 0.30 0.42 0.00 0.00 0.00 175.76 175.19 3cft s ILE 26 N 2.89 5.25 -1.58 0.00 1.01 -1.26 -4.30 121.20 123.22 3cft s ILE 26 Ca 0.24 0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.99 3cft s ILE 26 Cb -0.14 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.74 3cft s ILE 26 CO 0.19 0.25 0.27 0.59 0.00 0.00 0.00 174.94 176.24 3cft n ASN 27 N 0.76 -5.74 -4.67 3.58 3.02 -0.29 -4.95 115.26 106.97 3cft n ASN 27 Ca -0.08 -0.14 -0.42 0.00 -0.03 0.00 0.00 54.58 53.92 3cft n ASN 27 Cb 0.52 -4.67 -0.04 0.00 -0.61 0.00 0.00 39.78 34.98 3cft n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3cft s VAL 28 N -3.06 4.85 0.31 2.41 1.01 -1.26 -4.76 120.40 119.91 3cft s VAL 28 Ca 0.13 1.71 -0.28 0.00 0.00 0.00 0.00 61.98 63.55 3cft s VAL 28 Cb -0.06 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 3cft s VAL 28 CO 0.17 -0.00 1.06 0.00 0.00 0.00 0.00 175.10 176.33 3cft s ALA 29 N 2.27 3.30 -0.05 5.51 0.00 -1.26 -1.46 121.76 130.06 3cft s ALA 29 Ca 0.40 0.80 -0.00 0.00 0.00 0.00 0.00 51.96 53.16 3cft s ALA 29 Cb -0.17 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.68 3cft s ALA 29 CO 0.12 -0.13 -0.01 0.08 0.00 0.00 0.00 175.76 175.81 3cft s VAL 30 N -1.32 0.38 -0.11 0.00 1.01 0.68 -0.71 120.40 120.34 3cft s VAL 30 Ca 0.48 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.52 3cft s VAL 30 Cb -0.28 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 3cft s VAL 30 CO 0.36 0.22 -0.20 -1.00 0.00 0.00 0.00 175.10 174.48 3cft s HIS 31 N 1.38 2.64 -0.10 5.22 3.76 -0.36 -1.26 115.29 126.56 3cft s HIS 31 Ca -0.04 -0.88 0.01 0.00 -0.15 0.00 0.00 55.06 54.01 3cft s HIS 31 Cb -0.13 -1.74 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 3cft s HIS 31 CO -0.02 -0.33 -0.14 0.08 -0.85 0.00 0.00 174.74 173.48 3cft s VAL 32 N 0.29 2.99 0.19 -0.90 1.01 0.17 0.04 120.40 124.19 3cft s VAL 32 Ca -0.15 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.23 3cft s VAL 32 Cb -0.17 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3cft s VAL 32 CO 0.07 0.55 -0.21 -0.36 0.00 0.00 0.00 175.10 175.15 3cft s PHE 33 N -0.02 2.08 -0.06 5.22 0.08 0.50 0.07 117.98 125.84 3cft s PHE 33 Ca -0.04 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.63 3cft s PHE 33 Cb -0.14 -1.01 0.01 0.00 -0.57 0.00 0.00 43.02 41.30 3cft s PHE 33 CO 0.04 0.45 -0.14 0.50 -0.10 0.00 0.00 175.22 175.97 3cft s ARG 34 N -2.84 1.80 -0.02 0.44 3.52 0.85 -0.96 118.95 121.74 3cft s ARG 34 Ca 0.20 -0.49 -0.30 0.00 -0.13 0.00 0.00 55.73 55.01 3cft s ARG 34 Cb -0.06 -1.49 -0.06 0.00 -1.56 0.00 0.00 34.95 31.78 3cft s ARG 34 CO 0.09 0.09 1.54 0.21 -0.81 0.00 0.00 175.30 176.42 3cft s LYS 35 N 0.49 4.22 0.68 5.12 2.20 0.37 -0.78 119.74 132.03 3cft s LYS 35 Ca -0.12 2.11 -0.06 0.00 -0.36 0.00 0.00 55.97 57.53 3cft s LYS 35 Cb -0.15 -3.77 0.05 0.00 -1.51 0.00 0.00 37.83 32.46 3cft s LYS 35 CO 0.04 -0.73 0.98 0.00 -0.36 0.00 0.00 175.35 175.28 3cft s ALA 36 N 3.23 3.23 0.37 3.13 0.00 0.59 -4.66 121.76 127.65 3cft s ALA 36 Ca 0.69 -0.92 0.11 0.00 0.00 0.00 0.00 51.96 51.84 3cft s ALA 36 Cb -0.33 -2.56 0.90 0.00 0.00 0.00 0.00 23.12 21.13 3cft s ALA 36 CO 0.28 -1.19 1.86 0.00 0.00 0.00 0.00 175.76 176.71 3cft h ALA 37 N -0.49 1.94 -0.12 0.00 0.00 -1.94 0.17 119.26 118.81 3cft h ALA 37 Ca -0.44 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3cft h ALA 37 Cb 1.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3cft h ALA 37 CO 0.60 -0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.24 3cft n ASP 38 N -4.56 0.67 -0.11 0.00 5.68 -1.26 -4.90 116.55 112.07 3cft n ASP 38 Ca 0.18 -1.94 -0.01 0.00 -0.50 0.00 0.00 54.79 52.52 3cft n ASP 38 Cb 0.55 -0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.45 3cft n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3cft n ASP 39 N -0.16 -4.00 -4.90 -1.12 9.92 0.58 -5.04 116.55 111.83 3cft n ASP 39 Ca 0.06 0.03 -0.28 0.00 -0.53 0.00 0.00 54.79 54.07 3cft n ASP 39 Cb 0.11 -1.62 -0.02 0.00 -0.64 0.00 0.00 41.12 38.96 3cft n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3cft s THR 40 N -1.77 4.95 -0.43 -3.53 -4.23 -1.26 -4.80 115.64 104.57 3cft s THR 40 Ca 0.00 0.14 -0.27 0.00 -1.18 0.00 0.00 61.69 60.38 3cft s THR 40 Cb 0.00 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 70.06 3cft s THR 40 CO 0.00 -0.59 1.01 0.26 -0.54 0.00 0.00 174.62 174.77 3cft s TRP 41 N -2.41 2.95 -0.03 3.99 0.52 -1.26 -0.30 118.94 122.39 3cft s TRP 41 Ca 0.46 0.68 -0.11 0.00 0.02 0.00 0.00 56.10 57.14 3cft s TRP 41 Cb -0.10 -4.02 -0.05 0.00 -1.15 0.00 0.00 33.47 28.14 3cft s TRP 41 CO 0.36 -1.06 0.32 -1.21 0.02 0.00 0.00 176.95 175.39 3cft s GLU 42 N 3.92 3.74 0.24 4.98 2.02 0.04 -4.87 118.70 128.77 3cft s GLU 42 Ca 0.42 0.20 -0.31 0.00 0.02 0.00 0.00 54.97 55.30 3cft s GLU 42 Cb -0.10 -3.18 -0.13 0.00 0.10 0.00 0.00 34.13 30.82 3cft s GLU 42 CO 0.25 0.70 1.53 -2.30 0.02 0.00 0.00 175.26 175.47 3cft n PRO 43 N 1.74 2.35 -0.01 0.39 -0.02 -1.26 -0.10 135.00 138.08 3cft n PRO 43 Ca -0.15 0.84 -0.01 0.00 -2.02 0.00 0.00 63.50 62.15 3cft n PRO 43 Cb 0.53 -2.58 -0.01 0.00 -0.02 0.00 0.00 33.50 31.43 3cft n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3cft n PHE 44 N 2.48 0.00 -3.53 6.00 7.35 0.11 -4.77 117.46 125.10 3cft n PHE 44 Ca 0.12 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.73 3cft n PHE 44 Cb 0.33 -0.05 -0.02 0.00 0.35 0.00 0.00 39.48 40.09 3cft n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cft s ALA 45 N -2.03 -1.81 0.16 3.13 0.00 -0.79 -5.01 121.76 115.42 3cft s ALA 45 Ca -0.02 0.91 -0.23 0.00 0.00 0.00 0.00 51.96 52.62 3cft s ALA 45 Cb 0.01 0.44 0.07 0.00 0.00 0.00 0.00 23.12 23.63 3cft s ALA 45 CO 0.03 -0.73 0.66 -1.54 0.00 0.00 0.00 175.76 174.18 3cft s SER 46 N -2.54 -0.49 -0.04 0.00 1.04 -1.26 0.45 113.70 110.86 3cft s SER 46 Ca 0.06 -0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.25 3cft s SER 46 Cb -0.01 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.75 3cft s SER 46 CO -0.08 -0.98 0.62 0.61 0.98 0.00 0.00 173.24 174.39 3cft n GLY 47 N -0.38 0.28 3.00 7.32 0.00 -0.39 -4.93 105.19 110.09 3cft n GLY 47 Ca -0.14 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 3cft n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cft s LYS 48 N -2.00 0.37 0.51 1.61 -2.85 -1.26 -0.23 119.74 115.88 3cft s LYS 48 Ca 0.15 -0.60 -0.21 0.00 -1.00 0.00 0.00 55.97 54.30 3cft s LYS 48 Cb -0.00 -0.06 -0.06 0.00 -2.06 0.00 0.00 37.83 35.65 3cft s LYS 48 CO -0.01 -0.01 1.17 0.95 0.10 0.00 0.00 175.35 177.56 3cft s THR 49 N -1.28 2.99 0.25 3.79 -4.23 -0.54 -4.76 115.64 111.86 3cft s THR 49 Ca -0.12 0.69 -0.02 0.00 -1.18 0.00 0.00 61.69 61.06 3cft s THR 49 Cb -0.09 -3.32 0.05 0.00 1.34 0.00 0.00 72.50 70.48 3cft s THR 49 CO -0.00 -0.06 0.35 -1.54 -0.54 0.00 0.00 174.62 172.82 3cft n SER 50 N -0.90 0.32 -0.20 3.99 3.41 -0.37 -1.14 113.62 118.73 3cft n SER 50 Ca 0.10 -1.30 0.25 0.00 -0.26 0.00 0.00 58.87 57.65 3cft n SER 50 Cb 0.49 -0.24 0.65 0.00 -0.26 0.00 0.00 64.21 64.85 3cft n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3cft h GLU 51 N 0.00 0.13 -0.11 4.33 5.08 -1.94 0.15 114.58 122.23 3cft h GLU 51 Ca -0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3cft h GLU 51 Cb 0.39 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3cft h GLU 51 CO 0.11 0.09 0.00 -1.13 -1.00 0.00 0.00 179.01 177.08 3cft n SER 52 N -4.36 1.64 -0.12 1.42 3.41 -1.26 -4.79 113.62 109.55 3cft n SER 52 Ca 0.19 -1.63 -0.02 0.00 -0.26 0.00 0.00 58.87 57.15 3cft n SER 52 Cb 0.87 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.75 3cft n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cft n GLY 53 N 1.16 0.50 3.77 5.00 0.00 0.53 -4.77 105.19 111.38 3cft n GLY 53 Ca 0.17 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 3cft n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cft s GLU 54 N -1.09 2.90 -0.14 1.61 2.02 -1.26 -0.75 118.70 121.98 3cft s GLU 54 Ca 0.00 -0.66 -0.01 0.00 0.02 0.00 0.00 54.97 54.32 3cft s GLU 54 Cb 0.00 -2.74 0.04 0.00 0.10 0.00 0.00 34.13 31.53 3cft s GLU 54 CO 0.00 0.58 -0.01 -1.17 0.02 0.00 0.00 175.26 174.68 3cft s LEU 55 N -2.25 1.18 0.34 1.80 2.96 0.50 -1.24 118.68 121.97 3cft s LEU 55 Ca 0.28 -0.52 0.09 0.00 -0.22 0.00 0.00 54.13 53.75 3cft s LEU 55 Cb -0.12 -0.69 -0.06 0.00 0.50 0.00 0.00 46.19 45.83 3cft s LEU 55 CO 0.20 -0.22 -0.01 -1.00 -1.32 0.00 0.00 176.35 174.01 3cft s HIS 56 N 1.80 2.52 -0.58 5.38 3.76 -1.26 -1.80 115.29 125.10 3cft s HIS 56 Ca 0.02 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 3cft s HIS 56 Cb -0.15 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.06 3cft s HIS 56 CO -0.07 0.49 0.00 0.41 -0.85 0.00 0.00 174.74 174.72 3cft n GLY 57 N -0.93 0.75 0.36 -2.22 0.00 -1.26 -4.91 105.19 96.98 3cft n GLY 57 Ca -0.04 -0.79 -0.04 0.00 0.00 0.00 0.00 46.02 45.15 3cft n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cft h LEU 58 N 0.00 1.11 0.00 0.99 3.38 -1.88 -3.47 115.31 115.44 3cft h LEU 58 Ca -0.12 -0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.57 3cft h LEU 58 Cb 0.43 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3cft h LEU 58 CO 0.17 0.88 -0.08 1.07 0.09 0.00 0.00 178.44 180.57 3cft n THR 59 N -4.35 0.00 -4.39 0.22 5.66 -1.26 -4.75 114.28 105.41 3cft n THR 59 Ca 0.09 -1.27 -0.21 0.00 -3.05 0.00 0.00 64.05 59.61 3cft n THR 59 Cb 0.09 0.81 -0.10 0.00 -1.55 0.00 0.00 70.33 69.57 3cft n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cft s THR 60 N -2.68 2.03 0.41 1.09 -4.23 -1.26 -4.68 115.64 106.32 3cft s THR 60 Ca 0.21 -2.19 0.10 0.00 -1.18 0.00 0.00 61.69 58.62 3cft s THR 60 Cb -0.01 -2.08 0.20 0.00 1.34 0.00 0.00 72.50 71.95 3cft s THR 60 CO 0.15 -0.44 1.99 -0.33 -0.54 0.00 0.00 174.62 175.45 3cft h GLU 61 N 2.67 0.28 -0.50 3.99 5.08 -2.00 -0.94 114.58 123.16 3cft h GLU 61 Ca -0.40 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 3cft h GLU 61 Cb 1.23 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 3cft h GLU 61 CO 0.58 0.31 0.33 0.93 -1.00 0.00 0.00 179.01 180.16 3cft h GLU 62 N 0.28 0.65 0.00 2.33 5.08 -2.03 -3.18 114.58 117.71 3cft h GLU 62 Ca 0.06 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 3cft h GLU 62 Cb 0.20 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3cft h GLU 62 CO 0.00 0.43 -0.60 0.93 -1.00 0.00 0.00 179.01 178.77 3cft h GLU 63 N 0.67 0.00 -3.94 2.33 4.39 -1.86 -3.39 114.58 112.78 3cft h GLU 63 Ca 0.19 0.00 -0.72 0.00 0.34 0.00 0.00 59.36 59.17 3cft h GLU 63 Cb -0.06 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.52 3cft h GLU 63 CO -0.05 0.60 2.82 0.34 -1.16 0.00 0.00 179.01 181.57 3cft n PHE 64 N -3.32 3.44 -2.11 4.33 7.35 -0.40 -4.96 117.46 121.80 3cft n PHE 64 Ca 0.01 -2.93 -0.28 0.00 -0.76 0.00 0.00 57.45 53.49 3cft n PHE 64 Cb 0.74 -2.41 0.18 0.00 0.35 0.00 0.00 39.48 38.35 3cft n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3cft s VAL 65 N 2.53 2.01 0.52 -2.13 -7.23 -1.26 -4.94 120.40 109.90 3cft s VAL 65 Ca 0.45 -0.15 -0.22 0.00 -1.81 0.00 0.00 61.98 60.25 3cft s VAL 65 Cb 0.12 -2.86 -0.06 0.00 0.56 0.00 0.00 36.38 34.15 3cft s VAL 65 CO -0.06 0.00 1.30 -0.70 -0.31 0.00 0.00 175.10 175.32 3cft s GLU 66 N -5.75 3.34 0.00 4.82 -6.30 -1.26 -4.81 118.70 108.74 3cft s GLU 66 Ca 0.74 2.09 0.00 0.00 -2.50 0.00 0.00 54.97 55.29 3cft s GLU 66 Cb -0.03 -2.30 0.00 0.00 0.00 0.00 0.00 34.13 31.80 3cft s GLU 66 CO 0.51 -0.99 0.00 0.41 0.02 0.00 0.00 175.26 175.22 3cft n GLY 67 N 0.63 -1.81 3.42 -1.50 0.00 -0.94 -5.00 105.19 99.99 3cft n GLY 67 Ca 0.09 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 3cft n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cft s ILE 68 N -2.69 3.72 0.13 -0.61 1.01 -1.26 -0.88 121.20 120.61 3cft s ILE 68 Ca 0.00 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.35 3cft s ILE 68 Cb 0.00 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 3cft s ILE 68 CO 0.00 0.45 -0.20 -0.31 0.00 0.00 0.00 174.94 174.88 3cft s TYR 69 N 0.91 2.49 -0.13 3.97 2.02 -0.13 -0.48 117.35 126.00 3cft s TYR 69 Ca 0.00 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 3cft s TYR 69 Cb -0.14 -1.31 0.02 0.00 -0.40 0.00 0.00 41.96 40.12 3cft s TYR 69 CO 0.01 0.39 -0.13 0.21 -1.57 0.00 0.00 175.55 174.46 3cft s LYS 70 N -2.18 2.11 -0.39 -0.62 2.20 -0.13 -1.03 119.74 119.69 3cft s LYS 70 Ca 0.18 -0.49 -0.11 0.00 -0.36 0.00 0.00 55.97 55.19 3cft s LYS 70 Cb -0.10 -1.95 0.05 0.00 -1.51 0.00 0.00 37.83 34.31 3cft s LYS 70 CO 0.10 -0.22 0.23 0.08 -0.36 0.00 0.00 175.35 175.18 3cft s VAL 71 N 1.46 4.51 -0.20 4.02 1.01 0.67 -0.37 120.40 131.50 3cft s VAL 71 Ca 0.03 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 3cft s VAL 71 Cb -0.13 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3cft s VAL 71 CO -0.09 -0.34 0.37 -1.61 0.00 0.00 0.00 175.10 173.44 3cft s GLU 72 N 1.52 4.18 -0.27 2.72 2.02 0.11 -0.25 118.70 128.73 3cft s GLU 72 Ca 0.02 0.16 -0.05 0.00 0.02 0.00 0.00 54.97 55.13 3cft s GLU 72 Cb -0.21 -3.52 0.01 0.00 0.10 0.00 0.00 34.13 30.51 3cft s GLU 72 CO 0.05 -0.00 0.02 0.42 0.02 0.00 0.00 175.26 175.78 3cft s ILE 73 N 1.20 3.61 -1.21 -1.63 1.01 0.35 -1.22 121.20 123.30 3cft s ILE 73 Ca 0.18 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 59.95 3cft s ILE 73 Cb -0.14 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 3cft s ILE 73 CO 0.07 0.18 2.12 0.47 0.00 0.00 0.00 174.94 177.79 3cft n ASP 74 N 4.81 3.38 -0.16 3.58 8.00 0.12 -1.57 116.55 134.71 3cft n ASP 74 Ca -0.16 -2.78 -0.10 0.00 0.71 0.00 0.00 54.79 52.46 3cft n ASP 74 Cb 0.48 -1.46 -0.00 0.00 -0.02 0.00 0.00 41.12 40.12 3cft n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3cft h THR 75 N 4.17 1.27 -0.42 -3.53 1.35 -1.86 -2.80 112.91 111.08 3cft h THR 75 Ca 0.52 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3cft h THR 75 Cb 0.65 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.12 3cft h THR 75 CO 1.92 0.41 0.27 0.50 -0.25 0.00 0.00 175.52 178.37 3cft h LYS 76 N 0.74 0.55 -0.51 4.72 3.64 -1.60 -1.66 116.57 122.45 3cft h LYS 76 Ca 0.13 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3cft h LYS 76 Cb 0.61 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 3cft h LYS 76 CO 0.04 0.37 0.24 0.77 -2.27 0.00 0.00 179.45 178.60 3cft h SER 77 N 0.56 0.33 0.29 4.20 0.02 -1.80 -1.27 113.55 115.89 3cft h SER 77 Ca 0.15 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3cft h SER 77 Cb -0.06 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3cft h SER 77 CO -0.03 0.23 -0.21 0.22 -1.14 0.00 0.00 176.83 175.89 3cft h TYR 78 N 0.47 -0.56 -0.78 3.45 3.20 -1.19 -2.18 116.97 119.38 3cft h TYR 78 Ca 0.23 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3cft h TYR 78 Cb 0.16 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 3cft h TYR 78 CO -0.11 -0.33 0.43 -1.49 -1.64 0.00 0.00 178.16 175.02 3cft h TRP 79 N -0.51 1.06 -0.65 -3.82 4.06 -1.21 -3.09 115.95 111.79 3cft h TRP 79 Ca -0.02 -0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.87 3cft h TRP 79 Cb 0.44 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 28.23 3cft h TRP 79 CO -0.12 0.74 0.28 0.87 -3.56 0.00 0.00 178.44 176.66 3cft h LYS 80 N 1.08 0.94 0.00 0.49 1.79 -1.10 0.16 116.57 119.93 3cft h LYS 80 Ca 0.27 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 3cft h LYS 80 Cb 0.03 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 3cft h LYS 80 CO -0.04 0.75 0.00 0.00 -1.08 0.00 0.00 179.45 179.08 3cft h ALA 81 N 1.38 1.00 -0.65 3.86 0.00 -1.32 -1.74 119.26 121.79 3cft h ALA 81 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3cft h ALA 81 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3cft h ALA 81 CO -0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.51 3cft n LEU 82 N -2.80 3.80 -0.61 0.00 4.77 0.49 -4.97 117.00 117.68 3cft n LEU 82 Ca -0.01 -1.91 -0.07 0.00 -0.03 0.00 0.00 56.01 54.00 3cft n LEU 82 Cb 0.18 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 3cft n LEU 82 CO 0.21 0.93 -0.07 0.61 -1.33 0.00 0.00 177.39 177.74 3cft n GLY 83 N 1.54 0.63 3.59 -0.72 0.00 -0.65 -5.03 105.19 104.55 3cft n GLY 83 Ca 0.23 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 3cft n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cft s ILE 84 N -2.28 3.88 -0.58 -0.61 1.01 -0.73 -5.01 121.20 116.87 3cft s ILE 84 Ca 0.00 -0.41 -0.18 0.00 0.00 0.00 0.00 60.65 60.06 3cft s ILE 84 Cb 0.00 -2.61 0.10 0.00 0.01 0.00 0.00 42.46 39.96 3cft s ILE 84 CO 0.00 0.58 0.66 -0.44 0.00 0.00 0.00 174.94 175.75 3cft s SER 85 N -0.64 6.19 0.69 3.58 0.01 -1.26 -3.04 113.70 119.22 3cft s SER 85 Ca 0.10 -1.45 -0.05 0.00 1.31 0.00 0.00 55.95 55.86 3cft s SER 85 Cb -0.12 -2.28 0.07 0.00 0.21 0.00 0.00 66.02 63.90 3cft s SER 85 CO 0.02 -1.05 0.98 -2.16 0.41 0.00 0.00 173.24 171.43 3cft s PRO 86 N 2.50 2.11 -0.12 12.44 0.04 -1.26 -4.95 135.00 145.75 3cft s PRO 86 Ca 0.10 -0.49 -0.26 0.00 0.04 0.00 0.00 61.00 60.40 3cft s PRO 86 Cb -0.25 -2.24 -0.27 0.00 0.04 0.00 0.00 34.50 31.78 3cft s PRO 86 CO 0.06 -1.22 0.74 0.35 0.04 0.00 0.00 177.00 176.97 3cft h PHE 87 N -0.51 0.18 -3.73 0.56 3.57 -1.55 -3.48 116.94 111.98 3cft h PHE 87 Ca -0.43 -0.13 -0.49 0.00 3.53 0.00 0.00 57.97 60.45 3cft h PHE 87 Cb 1.30 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 3cft h PHE 87 CO 0.18 1.16 0.11 -1.01 -2.23 0.00 0.00 178.31 176.53 3cft s HIS 88 N -2.31 3.40 -0.01 0.41 3.76 -1.26 -4.99 115.29 114.29 3cft s HIS 88 Ca -0.18 1.26 -0.24 0.00 -0.15 0.00 0.00 55.06 55.75 3cft s HIS 88 Cb -0.01 -2.57 -0.19 0.00 1.11 0.00 0.00 32.58 30.93 3cft s HIS 88 CO 0.72 0.11 1.25 0.93 -0.85 0.00 0.00 174.74 176.90 3cft h GLU 89 N 2.36 0.15 -2.71 1.40 4.39 -1.97 -3.33 114.58 114.87 3cft h GLU 89 Ca -0.48 -0.09 0.11 0.00 0.34 0.00 0.00 59.36 59.25 3cft h GLU 89 Cb 1.18 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.78 3cft h GLU 89 CO 0.65 0.64 0.35 -3.38 -1.16 0.00 0.00 179.01 176.12 3cft s HIS 90 N -4.08 -0.13 -0.03 4.33 -3.43 -1.26 -2.54 115.29 108.14 3cft s HIS 90 Ca -0.15 -0.28 -0.15 0.00 -0.80 0.00 0.00 55.06 53.68 3cft s HIS 90 Cb 0.03 0.69 -0.05 0.00 -1.43 0.00 0.00 32.58 31.81 3cft s HIS 90 CO 0.71 -1.08 0.40 0.00 -2.00 0.00 0.00 174.74 172.77 3cft s ALA 91 N -3.48 3.67 -0.27 -1.38 0.00 -0.61 -4.89 121.76 114.80 3cft s ALA 91 Ca 0.12 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.85 3cft s ALA 91 Cb -0.04 -2.40 0.07 0.00 0.00 0.00 0.00 23.12 20.74 3cft s ALA 91 CO 0.05 0.39 -0.07 -1.21 0.00 0.00 0.00 175.76 174.92 3cft s GLU 92 N -0.71 1.92 -0.38 0.00 0.41 -1.26 -0.50 118.70 118.18 3cft s GLU 92 Ca 0.23 -1.31 -0.10 0.00 -0.41 0.00 0.00 54.97 53.38 3cft s GLU 92 Cb -0.16 -2.83 0.04 0.00 -1.78 0.00 0.00 34.13 29.41 3cft s GLU 92 CO 0.12 -0.64 0.20 0.08 -0.49 0.00 0.00 175.26 174.53 3cft s VAL 93 N 1.17 4.34 -0.16 2.63 1.01 0.65 -4.93 120.40 125.10 3cft s VAL 93 Ca -0.05 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 3cft s VAL 93 Cb -0.19 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3cft s VAL 93 CO -0.06 -0.31 -0.10 -0.69 0.00 0.00 0.00 175.10 173.95 3cft s VAL 94 N 1.49 3.23 0.03 2.92 1.01 -1.26 -0.24 120.40 127.59 3cft s VAL 94 Ca 0.01 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 3cft s VAL 94 Cb -0.20 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.82 3cft s VAL 94 CO 0.05 0.49 0.46 0.72 0.00 0.00 0.00 175.10 176.82 3cft s PHE 95 N 0.68 -0.34 0.13 5.22 -0.71 -0.20 -4.99 117.98 117.78 3cft s PHE 95 Ca -0.05 0.38 -0.28 0.00 -1.04 0.00 0.00 56.93 55.94 3cft s PHE 95 Cb -0.15 0.26 -0.07 0.00 -1.21 0.00 0.00 43.02 41.85 3cft s PHE 95 CO 0.02 -0.58 0.90 0.99 -1.34 0.00 0.00 175.22 175.21 3cft s THR 96 N -2.23 4.44 0.03 -4.49 2.01 -1.26 -0.95 115.64 113.19 3cft s THR 96 Ca -0.07 1.95 0.08 0.00 0.31 0.00 0.00 61.69 63.96 3cft s THR 96 Cb -0.01 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 3cft s THR 96 CO -0.00 0.39 -0.23 0.00 -0.69 0.00 0.00 174.62 174.08 3cft s ALA 97 N -0.37 1.94 -1.85 7.40 0.00 -0.06 -4.85 121.76 123.98 3cft s ALA 97 Ca 0.43 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.28 3cft s ALA 97 Cb -0.23 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.47 3cft s ALA 97 CO 0.29 0.45 0.00 0.09 0.00 0.00 0.00 175.76 176.59 3cft n ASN 98 N 1.97 -5.38 -0.49 0.00 3.02 -1.26 -2.22 115.26 110.90 3cft n ASN 98 Ca -0.17 0.26 0.05 0.00 -0.03 0.00 0.00 54.58 54.69 3cft n ASN 98 Cb 0.53 -4.50 0.13 0.00 -0.61 0.00 0.00 39.78 35.33 3cft n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3cft n ASP 99 N -1.32 1.43 -1.60 6.41 3.85 -1.26 -2.86 116.55 121.20 3cft n ASP 99 Ca -0.21 -1.98 -0.02 0.00 -0.71 0.00 0.00 54.79 51.87 3cft n ASP 99 Cb 0.65 -0.17 0.08 0.00 -1.35 0.00 0.00 41.12 40.32 3cft n ASP 99 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3cft n SER 100 N 0.27 2.12 0.00 -1.12 7.64 -1.26 -5.11 113.62 116.16 3cft n SER 100 Ca 0.09 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 57.04 3cft n SER 100 Cb 0.23 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 3cft n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cft n GLY 101 N -0.45 -0.05 3.66 0.23 0.00 -1.14 -4.98 105.19 102.46 3cft n GLY 101 Ca 0.18 -1.77 -0.47 0.00 0.00 0.00 0.00 46.02 43.96 3cft n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3cft n PRO 102 N 0.09 1.98 -4.34 1.61 -0.04 -1.26 -4.29 135.00 128.75 3cft n PRO 102 Ca 0.00 0.72 -0.18 0.00 -0.04 0.00 0.00 63.50 64.00 3cft n PRO 102 Cb 0.00 -2.47 -0.10 0.00 -0.04 0.00 0.00 33.50 30.89 3cft n PRO 102 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3cft s ARG 103 N 0.92 1.42 -0.15 0.54 1.81 -1.26 -4.69 118.95 117.54 3cft s ARG 103 Ca 0.80 -1.75 -0.04 0.00 -1.72 0.00 0.00 55.73 53.02 3cft s ARG 103 Cb -0.73 -0.50 -0.03 0.00 -0.45 0.00 0.00 34.95 33.24 3cft s ARG 103 CO 0.40 -0.20 -0.02 1.03 -0.68 0.00 0.00 175.30 175.83 3cft s ARG 104 N -3.94 3.58 -0.10 3.54 0.52 -0.26 -4.85 118.95 117.44 3cft s ARG 104 Ca 0.34 -0.48 0.04 0.00 -0.52 0.00 0.00 55.73 55.10 3cft s ARG 104 Cb 0.07 -2.92 0.00 0.00 0.52 0.00 0.00 34.95 32.62 3cft s ARG 104 CO 0.12 0.33 -0.22 0.71 0.02 0.00 0.00 175.30 176.25 3cft s TYR 105 N 0.14 2.45 -0.22 -0.53 2.02 0.87 -1.30 117.35 120.76 3cft s TYR 105 Ca -0.00 -1.02 -0.05 0.00 -0.37 0.00 0.00 57.07 55.62 3cft s TYR 105 Cb -0.13 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 3cft s TYR 105 CO 0.02 -0.42 -0.00 0.99 -1.57 0.00 0.00 175.55 174.57 3cft s THR 106 N 0.43 3.79 -0.40 -0.71 2.01 0.13 -0.57 115.64 120.33 3cft s THR 106 Ca -0.17 -0.35 -0.16 0.00 0.31 0.00 0.00 61.69 61.31 3cft s THR 106 Cb -0.17 -2.74 0.01 0.00 0.01 0.00 0.00 72.50 69.61 3cft s THR 106 CO 0.07 0.40 0.39 -0.63 -0.69 0.00 0.00 174.62 174.17 3cft s ILE 107 N 1.37 5.14 -0.09 1.82 -1.09 0.62 -0.99 121.20 127.97 3cft s ILE 107 Ca 0.04 -0.29 -0.05 0.00 -2.23 0.00 0.00 60.65 58.12 3cft s ILE 107 Cb -0.15 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.74 3cft s ILE 107 CO 0.00 -0.31 0.13 0.00 -1.23 0.00 0.00 174.94 173.54 3cft s ALA 108 N 2.03 3.83 0.01 9.38 0.00 -0.19 -1.16 121.76 135.66 3cft s ALA 108 Ca 0.11 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.40 3cft s ALA 108 Cb -0.17 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 3cft s ALA 108 CO 0.12 0.64 -0.06 0.00 0.00 0.00 0.00 175.76 176.47 3cft s ALA 109 N -1.08 0.45 -0.15 0.00 0.00 0.17 -1.26 121.76 119.89 3cft s ALA 109 Ca 0.18 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.78 3cft s ALA 109 Cb -0.12 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.95 3cft s ALA 109 CO 0.07 0.06 -0.21 -1.17 0.00 0.00 0.00 175.76 174.51 3cft s LEU 110 N -0.56 2.11 -0.17 0.00 2.96 -0.09 -1.19 118.68 121.75 3cft s LEU 110 Ca -0.02 -0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 53.25 3cft s LEU 110 Cb -0.04 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 3cft s LEU 110 CO -0.00 0.06 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.25 3cft s LEU 111 N 0.94 2.90 0.24 -0.68 1.43 -0.42 -1.52 118.68 121.57 3cft s LEU 111 Ca -0.04 -0.30 0.10 0.00 -1.03 0.00 0.00 54.13 52.86 3cft s LEU 111 Cb -0.15 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 3cft s LEU 111 CO -0.05 0.10 -0.18 -0.44 0.23 0.00 0.00 176.35 176.02 3cft s SER 112 N 0.76 3.12 0.41 2.29 0.01 0.44 -0.66 113.70 120.06 3cft s SER 112 Ca -0.03 -1.02 0.11 0.00 1.31 0.00 0.00 55.95 56.33 3cft s SER 112 Cb -0.15 -0.22 0.94 0.00 0.21 0.00 0.00 66.02 66.79 3cft s SER 112 CO 0.02 -0.05 1.96 -0.65 0.41 0.00 0.00 173.24 174.92 3cft h PRO 113 N 2.45 0.51 -0.14 12.44 0.11 -1.99 -2.88 132.00 142.51 3cft h PRO 113 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3cft h PRO 113 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3cft h PRO 113 CO 0.60 0.34 0.00 0.66 -0.21 0.00 0.00 178.00 179.39 3cft n TYR 114 N -4.48 0.37 -3.56 0.65 4.01 -1.26 -1.29 117.16 111.60 3cft n TYR 114 Ca 0.11 -0.78 -0.17 0.00 -0.16 0.00 0.00 57.90 56.90 3cft n TYR 114 Cb 0.36 -0.16 -0.06 0.00 -0.31 0.00 0.00 39.34 39.16 3cft n TYR 114 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3cft s SER 115 N -1.91 -0.66 0.08 7.72 0.15 -1.09 -4.95 113.70 113.05 3cft s SER 115 Ca 0.28 0.88 -0.11 0.00 0.70 0.00 0.00 55.95 57.70 3cft s SER 115 Cb 0.22 0.77 0.01 0.00 -1.71 0.00 0.00 66.02 65.31 3cft s SER 115 CO 0.06 -0.50 0.26 -0.72 1.20 0.00 0.00 173.24 173.54 3cft s TYR 116 N -0.77 0.01 0.16 3.44 1.13 -1.26 -0.42 117.35 119.64 3cft s TYR 116 Ca -0.08 -0.33 0.07 0.00 -1.41 0.00 0.00 57.07 55.31 3cft s TYR 116 Cb -0.02 0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.85 3cft s TYR 116 CO 0.07 -0.56 -0.14 -1.54 -2.51 0.00 0.00 175.55 170.88 3cft s SER 117 N -2.60 2.25 -0.01 -0.18 1.04 -0.57 -4.98 113.70 108.64 3cft s SER 117 Ca 0.01 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.51 3cft s SER 117 Cb 0.02 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.06 3cft s SER 117 CO -0.09 -0.18 0.01 0.28 0.98 0.00 0.00 173.24 174.24 3cft s THR 118 N -2.67 0.03 -0.02 2.02 -1.32 -1.26 -0.91 115.64 111.51 3cft s THR 118 Ca 0.16 0.06 0.03 0.00 -1.21 0.00 0.00 61.69 60.74 3cft s THR 118 Cb -0.02 -0.09 -0.00 0.00 -1.51 0.00 0.00 72.50 70.88 3cft s THR 118 CO 0.04 0.05 -0.11 -0.89 -2.21 0.00 0.00 174.62 171.50 3cft s THR 119 N 0.45 0.94 -0.16 5.08 2.01 -0.39 -4.99 115.64 118.58 3cft s THR 119 Ca -0.04 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 3cft s THR 119 Cb -0.06 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 3cft s THR 119 CO -0.01 0.28 0.04 0.00 -0.69 0.00 0.00 174.62 174.24 3cft s ALA 120 N -0.03 3.37 -0.25 7.40 0.00 -1.26 -1.02 121.76 129.97 3cft s ALA 120 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 3cft s ALA 120 Cb -0.07 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.26 3cft s ALA 120 CO 0.00 0.30 -0.01 0.08 0.00 0.00 0.00 175.76 176.14 3cft s VAL 121 N 0.01 3.45 -0.18 0.00 1.01 -0.16 -4.99 120.40 119.54 3cft s VAL 121 Ca 0.05 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3cft s VAL 121 Cb -0.12 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.60 3cft s VAL 121 CO 0.01 0.26 -0.19 -0.69 0.00 0.00 0.00 175.10 174.49 3cft s VAL 122 N 1.45 2.03 0.16 2.92 1.01 -1.26 -0.70 120.40 126.02 3cft s VAL 122 Ca 0.03 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.13 3cft s VAL 122 Cb -0.16 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3cft s VAL 122 CO -0.02 0.50 -0.17 0.42 0.00 0.00 0.00 175.10 175.83 3cft s THR 123 N 1.29 1.73 -0.48 3.92 -4.23 -0.42 -4.97 115.64 112.48 3cft s THR 123 Ca 0.04 -1.93 -0.11 0.00 -1.18 0.00 0.00 61.69 58.51 3cft s THR 123 Cb -0.13 -1.83 0.11 0.00 1.34 0.00 0.00 72.50 71.99 3cft s THR 123 CO -0.12 -0.38 0.37 0.21 -0.54 0.00 0.00 174.62 174.16 3cft s ASN 124 N -2.74 5.83 0.00 3.99 3.84 -1.26 -1.10 114.94 123.50 3cft s ASN 124 Ca 0.16 -1.79 0.21 0.00 0.21 0.00 0.00 52.86 51.65 3cft s ASN 124 Cb -0.05 -2.06 1.26 0.00 -0.55 0.00 0.00 41.25 39.85 3cft s ASN 124 CO 0.06 -0.70 1.64 -0.81 -2.79 0.00 0.00 177.10 174.50