#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffb n THR 18 N 0.00 0.00 -3.99 0.55 -2.24 -1.26 -4.65 114.28 102.69 1ffb n THR 18 Ca 0.00 -0.04 -0.27 0.00 -2.27 0.00 0.00 64.05 61.47 1ffb n THR 18 Cb 0.00 -0.22 -0.17 0.00 -2.10 0.00 0.00 70.33 67.84 1ffb n THR 18 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ffb s THR 19 N -2.54 1.16 -0.04 4.28 2.01 -1.26 -0.37 115.64 118.88 1ffb s THR 19 Ca 0.28 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.90 1ffb s THR 19 Cb 0.20 -1.14 0.03 0.00 0.01 0.00 0.00 72.50 71.59 1ffb s THR 19 CO 0.48 0.39 -0.01 -0.13 -0.69 0.00 0.00 174.62 174.65 1ffb s ARG 20 N 1.57 0.50 -0.34 4.92 1.81 -1.26 -4.97 118.95 121.18 1ffb s ARG 20 Ca 0.03 0.02 0.14 0.00 -1.72 0.00 0.00 55.73 54.20 1ffb s ARG 20 Cb -0.13 -0.64 0.46 0.00 -0.45 0.00 0.00 34.95 34.19 1ffb s ARG 20 CO -0.08 -0.13 1.06 -0.25 -0.68 0.00 0.00 175.30 175.22 1ffb n ASP 21 N 4.19 2.84 -0.09 0.23 8.00 -1.25 -1.33 116.55 129.14 1ffb n ASP 21 Ca -0.24 -3.00 0.03 0.00 0.71 0.00 0.00 54.79 52.29 1ffb n ASP 21 Cb 0.50 -0.48 0.37 0.00 -0.02 0.00 0.00 41.12 41.49 1ffb n ASP 21 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1ffb h ASP 22 N 2.70 0.61 -0.00 -2.24 3.32 -1.53 -0.34 116.42 118.93 1ffb h ASP 22 Ca 0.07 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1ffb h ASP 22 Cb 1.17 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 1ffb h ASP 22 CO 0.57 0.43 -0.00 0.25 -1.72 0.00 0.00 179.24 178.77 1ffb h LEU 23 N 0.71 0.01 -0.61 1.55 5.85 -1.88 0.14 115.31 121.08 1ffb h LEU 23 Ca 0.21 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1ffb h LEU 23 Cb -0.03 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1ffb h LEU 23 CO -0.05 0.44 0.24 0.40 -0.34 0.00 0.00 178.44 179.13 1ffb h ILE 24 N -0.42 1.23 0.01 4.05 2.04 -1.87 -3.13 117.51 119.42 1ffb h ILE 24 Ca 0.00 -0.72 -0.20 0.00 1.00 0.00 0.00 64.86 64.95 1ffb h ILE 24 Cb 0.43 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1ffb h ILE 24 CO 0.00 0.28 -0.91 0.78 0.00 0.00 0.00 178.15 178.30 1ffb h ASN 25 N 0.84 0.15 -2.40 1.72 2.35 -1.12 -3.48 115.58 113.64 1ffb h ASN 25 Ca 0.20 -0.13 -0.61 0.00 -0.55 0.00 0.00 56.30 55.21 1ffb h ASN 25 Cb 0.20 -0.05 0.09 0.00 0.05 0.00 0.00 38.32 38.62 1ffb h ASN 25 CO -0.02 0.98 0.33 0.61 -1.65 0.00 0.00 177.43 177.69 1ffb n GLY 26 N 0.99 0.19 3.66 2.83 0.00 0.49 -4.91 105.19 108.44 1ffb n GLY 26 Ca -0.02 0.44 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 1ffb n GLY 26 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ffb s ASN 27 N -0.12 6.80 0.57 1.61 3.04 -1.26 -4.90 114.94 120.67 1ffb s ASN 27 Ca 0.66 1.98 0.29 0.00 0.04 0.00 0.00 52.86 55.83 1ffb s ASN 27 Cb -0.73 -2.54 1.70 0.00 -1.54 0.00 0.00 41.25 38.14 1ffb s ASN 27 CO 0.55 -0.85 2.19 0.77 -3.04 0.00 0.00 177.10 176.71 1ffb h SER 28 N 8.90 0.00 0.70 -4.21 4.64 -1.91 -1.41 113.55 120.25 1ffb h SER 28 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1ffb h SER 28 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1ffb h SER 28 CO 0.96 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.97 1ffb n ALA 29 N -2.29 2.40 -2.55 5.18 0.00 -1.26 -3.67 120.51 118.32 1ffb n ALA 29 Ca -0.02 -0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.12 1ffb n ALA 29 Cb 0.15 -1.47 0.02 0.00 0.00 0.00 0.00 19.45 18.14 1ffb n ALA 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ffb n SER 30 N -1.36 3.04 -4.70 0.00 3.41 -0.53 -5.10 113.62 108.38 1ffb n SER 30 Ca 0.12 -3.13 -0.41 0.00 -0.26 0.00 0.00 58.87 55.18 1ffb n SER 30 Cb 0.27 -0.48 0.01 0.00 -0.26 0.00 0.00 64.21 63.75 1ffb n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ffb s ARG 32 N -2.17 3.49 0.40 0.00 3.00 -1.26 -4.96 118.95 117.45 1ffb s ARG 32 Ca 0.60 0.95 0.23 0.00 0.00 0.00 0.00 55.73 57.52 1ffb s ARG 32 Cb -0.52 -2.07 0.38 0.00 0.00 0.00 0.00 34.95 32.75 1ffb s ARG 32 CO 0.58 -0.65 1.60 -0.44 0.00 0.00 0.00 175.30 176.39 1ffb h ASP 33 N 0.12 0.00 -3.64 0.23 5.19 -1.78 -3.42 116.42 113.11 1ffb h ASP 33 Ca -0.45 -0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.44 1ffb h ASP 33 Cb 1.20 0.00 -0.32 0.00 0.18 0.00 0.00 39.33 40.39 1ffb h ASP 33 CO 0.60 0.00 -0.82 -0.69 -3.12 0.00 0.00 179.24 175.21 1ffb s VAL 34 N -3.20 1.16 -0.12 -1.35 1.01 -1.03 -0.49 120.40 116.37 1ffb s VAL 34 Ca 0.07 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1ffb s VAL 34 Cb 0.06 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.43 1ffb s VAL 34 CO 0.67 0.35 -0.14 -0.63 0.00 0.00 0.00 175.10 175.35 1ffb s ILE 35 N 0.38 1.43 -0.24 2.22 1.01 -0.40 -0.92 121.20 124.68 1ffb s ILE 35 Ca -0.09 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 1ffb s ILE 35 Cb -0.13 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 1ffb s ILE 35 CO 0.03 0.43 0.05 0.12 0.00 0.00 0.00 174.94 175.56 1ffb s PHE 36 N 1.22 3.06 -0.22 3.97 5.36 0.10 -1.25 117.98 130.23 1ffb s PHE 36 Ca -0.02 -0.52 -0.04 0.00 -0.96 0.00 0.00 56.93 55.40 1ffb s PHE 36 Cb -0.14 -2.21 -0.01 0.00 -0.34 0.00 0.00 43.02 40.32 1ffb s PHE 36 CO -0.05 -0.39 -0.04 0.42 -1.46 0.00 0.00 175.22 173.70 1ffb s ILE 37 N 1.57 3.39 -0.03 3.12 1.01 -0.63 -0.63 121.20 128.99 1ffb s ILE 37 Ca 0.06 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.27 1ffb s ILE 37 Cb -0.15 -2.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 1ffb s ILE 37 CO 0.02 0.43 -0.16 -0.47 0.00 0.00 0.00 174.94 174.75 1ffb s TYR 38 N 1.43 1.57 -0.16 3.97 5.04 -0.61 -2.08 117.35 126.51 1ffb s TYR 38 Ca 0.05 -0.38 -0.02 0.00 -2.44 0.00 0.00 57.07 54.28 1ffb s TYR 38 Cb -0.14 -1.04 -0.02 0.00 0.35 0.00 0.00 41.96 41.11 1ffb s TYR 38 CO -0.03 -0.10 -0.08 0.00 -1.34 0.00 0.00 175.55 174.01 1ffb s ALA 39 N -0.15 2.79 0.92 3.97 0.00 -0.73 -0.95 121.76 127.61 1ffb s ALA 39 Ca 0.01 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 1ffb s ALA 39 Cb -0.09 -1.46 0.15 0.00 0.00 0.00 0.00 23.12 21.72 1ffb s ALA 39 CO 0.01 0.04 1.17 -0.98 0.00 0.00 0.00 175.76 175.99 1ffb s ARG 40 N 0.69 1.05 0.73 0.00 1.70 -1.26 -2.07 118.95 119.78 1ffb s ARG 40 Ca -0.04 0.15 -0.06 0.00 -0.47 0.00 0.00 55.73 55.31 1ffb s ARG 40 Cb -0.15 -1.84 0.09 0.00 -0.57 0.00 0.00 34.95 32.48 1ffb s ARG 40 CO 0.02 -2.23 1.03 0.20 -1.08 0.00 0.00 175.30 173.24 1ffb s GLY 41 N -4.22 1.73 0.25 3.88 0.00 -1.14 -1.95 107.32 105.86 1ffb s GLY 41 Ca 0.65 -1.17 -0.31 0.00 0.00 0.00 0.00 44.72 43.89 1ffb s GLY 41 CO 0.53 -0.69 1.64 1.44 0.00 0.00 0.00 173.10 176.02 1ffb n SER 42 N -2.96 3.83 0.00 1.64 7.64 -1.26 -2.08 113.62 120.42 1ffb n SER 42 Ca 0.10 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1ffb n SER 42 Cb 0.60 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1ffb n SER 42 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ffb n THR 43 N 2.98 0.00 -1.90 0.44 -2.24 0.31 -5.00 114.28 108.87 1ffb n THR 43 Ca 0.12 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.57 1ffb n THR 43 Cb 0.35 -0.19 0.03 0.00 -2.10 0.00 0.00 70.33 68.43 1ffb n THR 43 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ffb s GLU 44 N -0.37 2.97 0.60 -0.78 2.02 -0.88 -5.03 118.70 117.21 1ffb s GLU 44 Ca 0.00 1.45 -0.02 0.00 0.02 0.00 0.00 54.97 56.42 1ffb s GLU 44 Cb 0.00 -1.97 0.04 0.00 0.10 0.00 0.00 34.13 32.30 1ffb s GLU 44 CO 0.00 -1.13 0.85 0.95 0.02 0.00 0.00 175.26 175.96 1ffb s THR 45 N -2.18 2.68 0.00 3.63 -4.23 -1.26 -4.86 115.64 109.41 1ffb s THR 45 Ca 0.68 -0.49 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 1ffb s THR 45 Cb -0.21 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.57 1ffb s THR 45 CO 0.37 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 1ffb n GLY 46 N -2.52 1.02 0.10 3.99 0.00 -1.26 -1.68 105.19 104.83 1ffb n GLY 46 Ca 0.07 -0.65 0.01 0.00 0.00 0.00 0.00 46.02 45.45 1ffb n GLY 46 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ffb n ASN 47 N -3.01 1.75 -0.00 1.61 2.04 0.50 -4.66 115.26 113.48 1ffb n ASN 47 Ca 0.00 -1.62 0.01 0.00 -0.44 0.00 0.00 54.58 52.53 1ffb n ASN 47 Cb 0.00 -0.02 -0.02 0.00 -2.53 0.00 0.00 39.78 37.21 1ffb n ASN 47 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1ffb n LEU 48 N -0.14 0.00 0.00 -4.53 4.77 -0.05 -3.46 117.00 113.59 1ffb n LEU 48 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1ffb n LEU 48 Cb 0.18 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1ffb n LEU 48 CO 0.01 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1ffb n GLY 49 N 2.45 0.96 0.11 -0.72 0.00 -0.67 -2.34 105.19 104.98 1ffb n GLY 49 Ca -0.01 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 1ffb n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ffb h THR 50 N 0.00 1.35 0.09 2.61 1.35 -1.98 -3.40 112.91 112.93 1ffb h THR 50 Ca 0.00 -2.95 -0.34 0.00 -0.55 0.00 0.00 66.41 62.56 1ffb h THR 50 Cb 0.00 2.86 -0.03 0.00 -1.73 0.00 0.00 68.15 69.25 1ffb h THR 50 CO 0.00 0.86 -1.91 0.18 -0.25 0.00 0.00 175.52 174.39 1ffb n LEU 51 N -3.49 2.14 -0.24 3.87 4.77 -1.26 -4.52 117.00 118.27 1ffb n LEU 51 Ca -0.12 0.27 0.05 0.00 -0.03 0.00 0.00 56.01 56.18 1ffb n LEU 51 Cb 1.03 -0.76 0.17 0.00 -2.33 0.00 0.00 43.42 41.53 1ffb n LEU 51 CO 0.52 0.72 0.93 1.23 -1.33 0.00 0.00 177.39 179.47 1ffb h GLY 52 N 1.78 0.98 1.60 -0.72 0.00 -1.68 -2.35 103.07 102.68 1ffb h GLY 52 Ca -0.38 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1ffb h GLY 52 CO 0.09 -0.18 0.24 -2.55 0.00 0.00 0.00 176.54 174.14 1ffb h PRO 53 N 0.28 0.53 -0.34 4.80 0.11 -1.79 -0.11 132.00 135.48 1ffb h PRO 53 Ca 0.39 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.41 1ffb h PRO 53 Cb 0.65 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1ffb h PRO 53 CO -0.48 0.37 0.01 0.77 -0.21 0.00 0.00 178.00 178.46 1ffb h SER 54 N 0.54 0.58 -0.24 -2.05 0.02 -1.68 -1.40 113.55 109.33 1ffb h SER 54 Ca 0.14 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 1ffb h SER 54 Cb -0.03 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1ffb h SER 54 CO -0.03 0.74 0.05 0.40 -1.14 0.00 0.00 176.83 176.85 1ffb h ILE 55 N 0.41 1.22 -0.52 3.27 2.04 -1.21 -3.06 117.51 119.66 1ffb h ILE 55 Ca 0.10 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.29 1ffb h ILE 55 Cb 0.44 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 1ffb h ILE 55 CO 0.02 0.23 0.22 0.00 0.00 0.00 0.00 178.15 178.62 1ffb h ALA 56 N 0.86 0.66 -0.34 1.87 0.00 -0.90 -1.27 119.26 120.13 1ffb h ALA 56 Ca 0.07 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1ffb h ALA 56 Cb 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ffb h ALA 56 CO 0.00 -0.15 0.04 0.66 0.00 0.00 0.00 179.25 179.80 1ffb h SER 57 N 0.43 0.48 -0.07 0.00 4.64 -1.25 -0.21 113.55 117.57 1ffb h SER 57 Ca 0.24 -0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.30 1ffb h SER 57 Cb 0.22 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1ffb h SER 57 CO -0.21 0.52 -0.62 0.78 -0.87 0.00 0.00 176.83 176.43 1ffb h ASN 58 N 0.50 0.78 -0.39 4.97 2.35 -1.30 -1.91 115.58 120.58 1ffb h ASN 58 Ca 0.11 -0.44 -0.08 0.00 -0.55 0.00 0.00 56.30 55.34 1ffb h ASN 58 Cb 0.26 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1ffb h ASN 58 CO 0.00 1.21 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.89 1ffb h LEU 59 N 0.51 0.76 -0.97 1.61 3.38 -0.74 -2.34 115.31 117.52 1ffb h LEU 59 Ca -0.01 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1ffb h LEU 59 Cb 1.20 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1ffb h LEU 59 CO 0.12 0.85 -0.27 -0.33 0.09 0.00 0.00 178.44 178.91 1ffb h GLU 60 N 0.73 0.42 -0.24 1.13 5.08 -0.94 -1.16 114.58 119.61 1ffb h GLU 60 Ca 0.14 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1ffb h GLU 60 Cb 0.49 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1ffb h GLU 60 CO 0.02 0.66 -0.09 0.77 -1.00 0.00 0.00 179.01 179.38 1ffb h SER 61 N 0.38 0.35 0.00 1.42 0.02 -0.82 0.22 113.55 115.12 1ffb h SER 61 Ca 0.05 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1ffb h SER 61 Cb 0.67 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 1ffb h SER 61 CO 0.05 0.48 -0.06 0.00 -1.14 0.00 0.00 176.83 176.16 1ffb h ALA 62 N 1.56 0.01 -0.01 3.77 0.00 -1.12 -3.40 119.26 120.08 1ffb h ALA 62 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ffb h ALA 62 Cb 0.38 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ffb h ALA 62 CO 0.02 0.04 -0.65 1.19 0.00 0.00 0.00 179.25 179.84 1ffb n PHE 63 N -4.61 0.00 0.00 0.00 3.72 -0.47 -5.10 117.46 110.99 1ffb n PHE 63 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1ffb n PHE 63 Cb 0.45 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 1ffb n PHE 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ffb n GLY 64 N 1.36 -2.21 0.28 1.37 0.00 0.78 -2.98 105.19 103.79 1ffb n GLY 64 Ca 0.05 -1.48 0.04 0.00 0.00 0.00 0.00 46.02 44.63 1ffb n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ffb h LYS 65 N 0.00 0.33 0.00 1.61 6.56 -1.88 -2.02 116.57 121.17 1ffb h LYS 65 Ca 0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1ffb h LYS 65 Cb 0.00 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.59 1ffb h LYS 65 CO 0.00 0.29 -0.49 -0.25 -2.06 0.00 0.00 179.45 176.93 1ffb n ASP 66 N -4.43 0.53 0.08 0.86 8.00 -1.26 -4.11 116.55 116.22 1ffb n ASP 66 Ca 0.01 -0.02 0.12 0.00 0.71 0.00 0.00 54.79 55.60 1ffb n ASP 66 Cb 0.13 0.13 0.01 0.00 -0.02 0.00 0.00 41.12 41.37 1ffb n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ffb n GLY 67 N 1.43 -1.40 2.81 0.44 0.00 -0.77 -4.36 105.19 103.34 1ffb n GLY 67 Ca 0.05 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 1ffb n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ffb s VAL 68 N -3.33 0.02 -0.23 1.61 0.11 -1.14 -2.47 120.40 114.97 1ffb s VAL 68 Ca 0.00 0.13 -0.09 0.00 -2.93 0.00 0.00 61.98 59.09 1ffb s VAL 68 Cb 0.11 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.80 1ffb s VAL 68 CO 0.79 0.08 0.11 0.26 -3.33 0.00 0.00 175.10 173.01 1ffb s TRP 69 N 0.79 3.22 -0.22 1.54 0.51 -0.10 -4.82 118.94 119.86 1ffb s TRP 69 Ca -0.07 0.00 -0.12 0.00 -2.12 0.00 0.00 56.10 53.79 1ffb s TRP 69 Cb -0.10 -2.20 -0.05 0.00 -0.81 0.00 0.00 33.47 30.31 1ffb s TRP 69 CO -0.02 -0.03 0.22 0.42 -0.51 0.00 0.00 176.95 177.03 1ffb s ILE 70 N 1.02 5.33 -0.16 2.03 -1.09 -1.26 -0.72 121.20 126.34 1ffb s ILE 70 Ca 0.05 0.32 -0.02 0.00 -2.23 0.00 0.00 60.65 58.77 1ffb s ILE 70 Cb -0.14 -3.55 0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1ffb s ILE 70 CO 0.04 0.34 0.02 -1.58 -1.23 0.00 0.00 174.94 172.52 1ffb s GLN 71 N 0.97 0.74 0.46 2.79 2.00 0.20 -1.23 119.66 125.58 1ffb s GLN 71 Ca 0.11 -0.31 -0.11 0.00 -2.00 0.00 0.00 55.36 53.05 1ffb s GLN 71 Cb -0.13 -1.83 -0.06 0.00 0.80 0.00 0.00 33.01 31.79 1ffb s GLN 71 CO 0.04 -0.54 0.84 0.20 -0.50 0.00 0.00 175.29 175.34 1ffb s GLY 72 N 1.86 1.89 -0.57 2.59 0.00 -0.44 -1.58 107.32 111.07 1ffb s GLY 72 Ca 0.01 -0.14 -0.23 0.00 0.00 0.00 0.00 44.72 44.36 1ffb s GLY 72 CO -0.07 0.07 0.88 0.14 0.00 0.00 0.00 173.10 174.12 1ffb s VAL 73 N -2.54 4.47 0.00 1.40 1.01 -0.13 -4.85 120.40 119.76 1ffb s VAL 73 Ca 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1ffb s VAL 73 Cb -0.10 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.75 1ffb s VAL 73 CO 0.35 -1.14 0.00 0.61 0.00 0.00 0.00 175.10 174.92 1ffb n GLY 74 N 5.18 1.39 7.00 4.51 0.00 -1.26 -4.76 105.19 117.26 1ffb n GLY 74 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ffb n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ffb n GLY 75 N 5.00 3.72 0.02 -0.02 0.00 -1.26 -1.06 105.19 111.59 1ffb n GLY 75 Ca 0.00 0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.31 1ffb n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ffb n ALA 76 N 12.05 1.82 -2.74 4.61 0.00 -1.26 -4.57 120.51 130.41 1ffb n ALA 76 Ca 0.00 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 1ffb n ALA 76 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.11 1ffb n ALA 76 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ffb s TYR 77 N -3.04 2.62 -2.15 0.00 5.04 -0.22 -4.51 117.35 115.09 1ffb s TYR 77 Ca 0.08 -0.29 0.26 0.00 -2.44 0.00 0.00 57.07 54.68 1ffb s TYR 77 Cb 0.11 -4.32 0.63 0.00 0.35 0.00 0.00 41.96 38.74 1ffb s TYR 77 CO 0.34 -1.67 1.49 0.54 -1.34 0.00 0.00 175.55 174.92 1ffb n ARG 78 N 8.02 1.30 -3.93 4.97 1.74 -1.26 -4.71 116.66 122.79 1ffb n ARG 78 Ca -0.01 -0.88 -0.27 0.00 -0.77 0.00 0.00 57.85 55.92 1ffb n ARG 78 Cb 0.47 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1ffb n ARG 78 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ffb n ALA 79 N -0.08 -1.78 -1.97 7.54 0.00 -1.26 -4.75 120.51 118.22 1ffb n ALA 79 Ca 0.14 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 1ffb n ALA 79 Cb 0.40 -2.38 -0.04 0.00 0.00 0.00 0.00 19.45 17.43 1ffb n ALA 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ffb s THR 80 N -3.69 3.62 0.25 0.00 2.01 -1.26 -0.53 115.64 116.04 1ffb s THR 80 Ca 0.22 1.44 -0.30 0.00 0.31 0.00 0.00 61.69 63.37 1ffb s THR 80 Cb -0.12 -3.92 -0.10 0.00 0.01 0.00 0.00 72.50 68.37 1ffb s THR 80 CO 0.87 0.27 1.47 -0.22 -0.69 0.00 0.00 174.62 176.32 1ffb s LEU 81 N -0.65 4.38 0.00 4.42 2.96 -1.26 -2.15 118.68 126.38 1ffb s LEU 81 Ca 0.49 2.71 0.00 0.00 -0.22 0.00 0.00 54.13 57.11 1ffb s LEU 81 Cb -0.32 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.75 1ffb s LEU 81 CO 0.38 -0.74 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 1ffb n GLY 82 N 2.31 2.80 0.19 7.98 0.00 -1.26 -4.80 105.19 112.41 1ffb n GLY 82 Ca 0.07 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.93 1ffb n GLY 82 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ffb h ASP 83 N 0.27 0.00 -0.35 1.61 5.19 -1.82 -1.98 116.42 119.34 1ffb h ASP 83 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ffb h ASP 83 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1ffb h ASP 83 CO 0.00 0.00 0.22 0.44 -3.12 0.00 0.00 179.24 176.78 1ffb h ASP 84 N 0.00 0.42 0.64 6.45 3.32 -1.74 -2.04 116.42 123.46 1ffb h ASP 84 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ffb h ASP 84 Cb 0.38 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1ffb h ASP 84 CO 0.00 0.32 0.00 0.00 -1.72 0.00 0.00 179.24 177.84 1ffb n ALA 85 N -2.48 2.37 -1.20 3.45 0.00 -0.74 -4.21 120.51 117.69 1ffb n ALA 85 Ca 0.02 -0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.02 1ffb n ALA 85 Cb 0.07 -1.46 0.10 0.00 0.00 0.00 0.00 19.45 18.16 1ffb n ALA 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ffb s LEU 86 N -2.68 3.09 0.26 0.00 1.43 -0.79 -4.88 118.68 115.13 1ffb s LEU 86 Ca 0.24 1.99 -0.10 0.00 -1.03 0.00 0.00 54.13 55.22 1ffb s LEU 86 Cb 0.19 -4.54 0.39 0.00 0.03 0.00 0.00 46.19 42.26 1ffb s LEU 86 CO 0.45 -2.20 1.57 -0.65 0.23 0.00 0.00 176.35 175.75 1ffb h PRO 87 N -0.97 -0.00 -0.52 1.29 0.11 -1.89 0.33 132.00 130.34 1ffb h PRO 87 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1ffb h PRO 87 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ffb h PRO 87 CO 0.50 -0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.82 1ffb n ARG 88 N -5.58 2.32 -0.83 1.05 1.74 -1.26 -4.91 116.66 109.19 1ffb n ARG 88 Ca 0.14 -1.79 0.00 0.00 -0.77 0.00 0.00 57.85 55.43 1ffb n ARG 88 Cb 0.46 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1ffb n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ffb n GLY 89 N 1.15 0.67 3.89 -0.13 0.00 0.10 -4.70 105.19 106.17 1ffb n GLY 89 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1ffb n GLY 89 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ffb s THR 90 N -2.41 0.00 0.46 2.61 -1.32 -1.11 -4.26 115.64 109.61 1ffb s THR 90 Ca 0.00 -0.47 -0.08 0.00 -1.21 0.00 0.00 61.69 59.94 1ffb s THR 90 Cb 0.00 -2.83 -0.05 0.00 -1.51 0.00 0.00 72.50 68.11 1ffb s THR 90 CO 0.00 0.00 0.80 -0.94 -2.21 0.00 0.00 174.62 172.27 1ffb s SER 91 N -3.47 6.37 0.34 8.08 1.04 -1.26 -4.74 113.70 120.06 1ffb s SER 91 Ca 0.23 1.06 0.03 0.00 0.48 0.00 0.00 55.95 57.75 1ffb s SER 91 Cb -0.02 -2.30 0.61 0.00 0.10 0.00 0.00 66.02 64.42 1ffb s SER 91 CO 0.03 -0.53 1.94 0.28 0.98 0.00 0.00 173.24 175.94 1ffb h SER 92 N 0.60 0.62 -0.63 7.02 0.02 -1.99 -2.09 113.55 117.09 1ffb h SER 92 Ca -0.47 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.37 1ffb h SER 92 Cb 1.20 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 1ffb h SER 92 CO 0.63 0.55 0.24 0.00 -1.14 0.00 0.00 176.83 177.11 1ffb h ALA 93 N 1.54 1.18 -0.33 3.77 0.00 -1.93 -0.75 119.26 122.74 1ffb h ALA 93 Ca 0.17 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1ffb h ALA 93 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ffb h ALA 93 CO -0.02 0.58 -0.19 0.00 0.00 0.00 0.00 179.25 179.62 1ffb h ALA 94 N 1.30 0.47 -0.62 0.00 0.00 -1.64 -1.95 119.26 116.82 1ffb h ALA 94 Ca 0.22 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ffb h ALA 94 Cb 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1ffb h ALA 94 CO -0.02 0.41 0.36 0.82 0.00 0.00 0.00 179.25 180.82 1ffb h ILE 95 N 0.48 1.19 -0.98 0.00 2.04 -1.04 -1.45 117.51 117.76 1ffb h ILE 95 Ca 0.07 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1ffb h ILE 95 Cb 0.74 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1ffb h ILE 95 CO 0.06 0.20 0.64 -0.09 0.00 0.00 0.00 178.15 178.96 1ffb h ARG 96 N 0.84 1.26 0.23 2.37 2.43 -1.03 -0.34 114.38 120.15 1ffb h ARG 96 Ca 0.22 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1ffb h ARG 96 Cb 0.01 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.28 1ffb h ARG 96 CO -0.04 0.83 -0.11 1.49 -1.51 0.00 0.00 179.97 180.63 1ffb h GLU 97 N 1.30 -0.30 -0.61 0.20 4.57 -0.69 -0.62 114.58 118.43 1ffb h GLU 97 Ca 0.37 0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.49 1ffb h GLU 97 Cb -0.11 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1ffb h GLU 97 CO -0.09 -0.07 0.07 1.98 -1.18 0.00 0.00 179.01 179.72 1ffb h MET 98 N -0.48 1.01 -0.67 1.92 4.05 -0.98 -1.65 114.93 118.13 1ffb h MET 98 Ca -0.03 -0.27 -0.01 0.00 -0.28 0.00 0.00 59.70 59.11 1ffb h MET 98 Cb 0.36 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 1ffb h MET 98 CO 0.05 0.95 0.38 -0.07 0.23 0.00 0.00 176.91 178.46 1ffb h LEU 99 N 0.95 0.80 -1.02 3.39 3.38 -1.01 -1.86 115.31 119.94 1ffb h LEU 99 Ca 0.19 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1ffb h LEU 99 Cb 0.45 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1ffb h LEU 99 CO 0.02 0.63 0.06 1.23 0.09 0.00 0.00 178.44 180.47 1ffb h GLY 100 N 0.96 0.82 1.08 0.83 0.00 -0.26 -1.27 103.07 105.23 1ffb h GLY 100 Ca 0.24 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 1ffb h GLY 100 CO -0.04 0.47 -0.25 1.41 0.00 0.00 0.00 176.54 178.13 1ffb h LEU 101 N 0.73 0.96 -0.69 3.11 3.38 -0.59 -0.36 115.31 121.85 1ffb h LEU 101 Ca 0.15 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1ffb h LEU 101 Cb 0.36 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1ffb h LEU 101 CO 0.01 1.17 0.31 -0.26 0.09 0.00 0.00 178.44 179.76 1ffb h PHE 102 N 0.75 1.01 -0.57 1.13 0.04 -1.11 -0.16 116.94 118.04 1ffb h PHE 102 Ca 0.09 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 1ffb h PHE 102 Cb 0.82 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 1ffb h PHE 102 CO 0.06 0.77 0.12 1.96 -0.60 0.00 0.00 178.31 180.61 1ffb h GLN 103 N 0.97 0.92 -0.83 1.51 4.20 -1.08 -1.15 115.11 119.65 1ffb h GLN 103 Ca 0.23 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1ffb h GLN 103 Cb 0.15 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1ffb h GLN 103 CO -0.03 0.87 0.39 1.96 -0.67 0.00 0.00 178.83 181.36 1ffb h GLN 104 N 0.82 1.20 -0.45 1.46 4.20 -0.66 -1.68 115.11 120.00 1ffb h GLN 104 Ca 0.18 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1ffb h GLN 104 Cb 0.38 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1ffb h GLN 104 CO 0.01 0.93 0.14 0.00 -0.67 0.00 0.00 178.83 179.23 1ffb h ALA 105 N 1.21 0.59 -0.91 3.87 0.00 -0.69 0.12 119.26 123.45 1ffb h ALA 105 Ca 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ffb h ALA 105 Cb 0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1ffb h ALA 105 CO -0.03 0.24 0.58 -0.97 0.00 0.00 0.00 179.25 179.07 1ffb h ASN 106 N 0.59 1.07 0.16 0.00 -1.24 -0.85 -0.64 115.58 114.67 1ffb h ASN 106 Ca 0.14 -0.04 -0.33 0.00 0.71 0.00 0.00 56.30 56.78 1ffb h ASN 106 Cb 0.27 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.06 1ffb h ASN 106 CO -0.00 0.79 -1.65 0.71 -1.29 0.00 0.00 177.43 175.99 1ffb h THR 107 N 1.25 0.95 -0.32 -3.57 1.35 -1.17 -3.10 112.91 108.30 1ffb h THR 107 Ca 0.33 -2.46 -0.16 0.00 -0.55 0.00 0.00 66.41 63.57 1ffb h THR 107 Cb -0.10 2.73 -0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1ffb h THR 107 CO -0.07 0.81 -0.44 0.50 -0.25 0.00 0.00 175.52 176.07 1ffb h LYS 108 N -0.04 0.85 -2.35 4.72 3.64 -0.76 -3.38 116.57 119.25 1ffb h LYS 108 Ca -0.34 -0.50 -0.59 0.00 -1.27 0.00 0.00 60.65 57.96 1ffb h LYS 108 Cb 1.97 0.04 -0.40 0.00 -0.41 0.00 0.00 32.23 33.44 1ffb h LYS 108 CO 0.13 1.13 -0.87 0.00 -2.27 0.00 0.00 179.45 177.57 1ffb h PRO 110 N 4.79 0.00 -0.01 0.00 0.11 -1.67 -1.85 132.00 133.37 1ffb h PRO 110 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1ffb h PRO 110 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1ffb h PRO 110 CO 0.55 0.00 -0.26 -3.47 -0.21 0.00 0.00 178.00 174.61 1ffb n ASP 111 N -4.08 0.83 -4.78 -2.05 2.03 -1.26 -4.95 116.55 102.29 1ffb n ASP 111 Ca 0.04 -0.71 -0.37 0.00 0.52 0.00 0.00 54.79 54.27 1ffb n ASP 111 Cb 0.42 0.10 -0.03 0.00 -0.72 0.00 0.00 41.12 40.88 1ffb n ASP 111 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ffb s ALA 112 N -2.58 3.10 -0.02 -1.67 0.00 -0.70 -5.00 121.76 114.89 1ffb s ALA 112 Ca 0.23 0.77 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 1ffb s ALA 112 Cb 0.19 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 1ffb s ALA 112 CO 0.54 -0.30 0.51 0.99 0.00 0.00 0.00 175.76 177.49 1ffb s THR 113 N -1.59 4.98 0.04 0.00 2.01 0.35 -4.94 115.64 116.49 1ffb s THR 113 Ca 0.58 1.06 0.01 0.00 0.31 0.00 0.00 61.69 63.64 1ffb s THR 113 Cb -0.24 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 1ffb s THR 113 CO 0.30 0.46 0.10 -0.76 -0.69 0.00 0.00 174.62 174.03 1ffb s LEU 114 N -0.37 3.93 0.04 4.42 1.43 -0.67 -1.27 118.68 126.19 1ffb s LEU 114 Ca 0.27 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1ffb s LEU 114 Cb -0.17 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 1ffb s LEU 114 CO 0.15 0.22 -0.05 0.27 0.23 0.00 0.00 176.35 177.16 1ffb s ILE 115 N -1.32 0.32 0.21 -0.59 -4.36 -0.38 -0.72 121.20 114.36 1ffb s ILE 115 Ca 0.27 -1.13 -0.03 0.00 -0.26 0.00 0.00 60.65 59.50 1ffb s ILE 115 Cb -0.12 -0.61 -0.03 0.00 1.25 0.00 0.00 42.46 42.94 1ffb s ILE 115 CO 0.19 -0.53 0.19 0.00 0.24 0.00 0.00 174.94 175.03 1ffb s ALA 116 N -1.83 0.95 0.04 2.27 0.00 -0.67 -1.61 121.76 120.92 1ffb s ALA 116 Ca -0.10 -1.57 -0.28 0.00 0.00 0.00 0.00 51.96 50.01 1ffb s ALA 116 Cb -0.07 1.34 0.09 0.00 0.00 0.00 0.00 23.12 24.48 1ffb s ALA 116 CO -0.02 -0.63 1.02 0.20 0.00 0.00 0.00 175.76 176.33 1ffb s GLY 117 N -3.14 -0.34 -0.06 0.00 0.00 -0.88 -1.70 107.32 101.19 1ffb s GLY 117 Ca 0.36 0.66 -0.29 0.00 0.00 0.00 0.00 44.72 45.44 1ffb s GLY 117 CO 0.12 0.18 0.92 -0.32 0.00 0.00 0.00 173.10 174.00 1ffb s GLY 118 N -2.72 -0.40 -0.02 0.20 0.00 -0.75 -1.77 107.32 101.85 1ffb s GLY 118 Ca 0.10 1.37 0.03 0.00 0.00 0.00 0.00 44.72 46.21 1ffb s GLY 118 CO -0.03 0.59 -0.09 -0.47 0.00 0.00 0.00 173.10 173.10 1ffb s TYR 119 N -2.36 0.93 0.00 1.90 5.04 -0.88 -1.14 117.35 120.84 1ffb s TYR 119 Ca 0.02 -0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.44 1ffb s TYR 119 Cb -0.01 -0.64 0.00 0.00 0.35 0.00 0.00 41.96 41.66 1ffb s TYR 119 CO -0.05 -0.07 0.00 0.45 -1.34 0.00 0.00 175.55 174.54 1ffb n SER 120 N 3.13 0.00 0.06 4.32 2.88 -0.65 -0.26 113.62 123.10 1ffb n SER 120 Ca -0.16 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1ffb n SER 120 Cb 0.55 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.54 1ffb n SER 120 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1ffb h GLN 121 N 0.00 0.31 0.00 -1.46 4.15 -1.86 -0.13 115.11 116.12 1ffb h GLN 121 Ca 0.00 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 1ffb h GLN 121 Cb 0.00 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 1ffb h GLN 121 CO 0.00 0.20 -0.12 0.78 -1.93 0.00 0.00 178.83 177.76 1ffb h GLY 122 N 0.32 0.00 1.08 2.39 0.00 0.05 0.63 103.07 107.53 1ffb h GLY 122 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.29 1ffb h GLY 122 CO -0.03 0.00 -0.58 0.00 0.00 0.00 0.00 176.54 175.93 1ffb h ALA 123 N 1.88 0.35 -0.64 3.60 0.00 -0.87 -0.26 119.26 123.31 1ffb h ALA 123 Ca -0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 1ffb h ALA 123 Cb 0.23 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1ffb h ALA 123 CO 0.02 0.59 0.07 0.00 0.00 0.00 0.00 179.25 179.93 1ffb h ALA 124 N 0.60 0.92 -0.20 0.00 0.00 -1.15 -1.51 119.26 117.93 1ffb h ALA 124 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1ffb h ALA 124 Cb 1.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ffb h ALA 124 CO 0.13 0.66 0.08 1.25 0.00 0.00 0.00 179.25 181.36 1ffb h LEU 125 N 1.00 0.28 -0.66 0.00 5.85 -0.71 -1.40 115.31 119.67 1ffb h LEU 125 Ca 0.19 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1ffb h LEU 125 Cb 0.47 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1ffb h LEU 125 CO 0.02 0.37 0.43 0.00 -0.34 0.00 0.00 178.44 178.92 1ffb h ALA 126 N 0.92 0.84 -0.51 1.25 0.00 -0.87 -0.94 119.26 119.95 1ffb h ALA 126 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ffb h ALA 126 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1ffb h ALA 126 CO -0.01 0.23 0.19 0.00 0.00 0.00 0.00 179.25 179.66 1ffb h ALA 127 N 1.26 0.67 -0.39 0.00 0.00 -1.04 -1.03 119.26 118.72 1ffb h ALA 127 Ca 0.25 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ffb h ALA 127 Cb -0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1ffb h ALA 127 CO -0.07 0.30 0.06 0.00 0.00 0.00 0.00 179.25 179.54 1ffb h ALA 128 N 1.04 0.52 0.04 0.00 0.00 -1.01 -1.41 119.26 118.44 1ffb h ALA 128 Ca 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ffb h ALA 128 Cb 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ffb h ALA 128 CO -0.01 0.24 -0.02 0.77 0.00 0.00 0.00 179.25 180.23 1ffb h SER 129 N 0.50 -0.05 -0.45 0.00 0.02 -1.00 -1.71 113.55 110.86 1ffb h SER 129 Ca 0.12 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1ffb h SER 129 Cb 0.37 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1ffb h SER 129 CO 0.01 -0.03 0.13 0.40 -1.14 0.00 0.00 176.83 176.19 1ffb h ILE 130 N -0.06 1.22 -0.70 3.27 2.04 -1.17 -0.68 117.51 121.42 1ffb h ILE 130 Ca -0.01 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 1ffb h ILE 130 Cb 0.05 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1ffb h ILE 130 CO 0.01 0.29 0.40 -0.08 0.00 0.00 0.00 178.15 178.77 1ffb h GLU 131 N 0.75 0.97 0.00 2.37 4.81 -0.92 -2.98 114.58 119.58 1ffb h GLU 131 Ca 0.17 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1ffb h GLU 131 Cb 0.27 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1ffb h GLU 131 CO -0.00 0.71 -0.16 -0.44 -0.73 0.00 0.00 179.01 178.39 1ffb h ASP 132 N 0.96 0.00 -4.02 1.04 5.19 -0.83 -3.47 116.42 115.30 1ffb h ASP 132 Ca 0.25 -0.03 -0.56 0.00 -0.62 0.00 0.00 57.03 56.07 1ffb h ASP 132 Cb 0.01 0.00 0.15 0.00 0.18 0.00 0.00 39.33 39.67 1ffb h ASP 132 CO -0.04 0.02 0.53 -0.11 -3.12 0.00 0.00 179.24 176.51 1ffb n LEU 133 N -2.51 5.61 -4.76 1.55 7.94 -0.31 -4.94 117.00 119.59 1ffb n LEU 133 Ca 0.04 0.90 -0.41 0.00 -1.11 0.00 0.00 56.01 55.44 1ffb n LEU 133 Cb 0.47 -1.55 -0.01 0.00 0.53 0.00 0.00 43.42 42.85 1ffb n LEU 133 CO 0.33 -0.85 1.17 -0.62 -1.11 0.00 0.00 177.39 176.31 1ffb s ASP 134 N -1.13 6.40 0.48 1.96 2.15 -1.26 -4.81 116.67 120.46 1ffb s ASP 134 Ca 0.77 2.96 0.17 0.00 0.43 0.00 0.00 52.55 56.87 1ffb s ASP 134 Cb -0.40 -2.65 1.16 0.00 -0.30 0.00 0.00 42.92 40.73 1ffb s ASP 134 CO 0.45 -0.86 2.03 0.77 -0.17 0.00 0.00 175.17 177.39 1ffb h SER 135 N 3.99 0.20 -0.48 -0.34 4.64 -1.96 -0.60 113.55 119.00 1ffb h SER 135 Ca -0.49 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.73 1ffb h SER 135 Cb 1.23 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1ffb h SER 135 CO 0.72 0.13 -0.10 0.00 -0.87 0.00 0.00 176.83 176.71 1ffb h ALA 136 N 1.78 0.85 0.03 5.18 0.00 -2.00 -1.40 119.26 123.70 1ffb h ALA 136 Ca 0.20 -0.34 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 1ffb h ALA 136 Cb 0.48 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.10 1ffb h ALA 136 CO -0.04 0.65 -1.09 0.82 0.00 0.00 0.00 179.25 179.60 1ffb h ILE 137 N 0.86 1.29 -0.64 0.00 2.04 -1.72 -3.21 117.51 116.12 1ffb h ILE 137 Ca 0.14 -2.32 0.03 0.00 1.00 0.00 0.00 64.86 63.70 1ffb h ILE 137 Cb 0.64 2.46 -0.03 0.00 -0.74 0.00 0.00 36.82 39.15 1ffb h ILE 137 CO 0.04 0.71 0.43 -0.09 0.00 0.00 0.00 178.15 179.24 1ffb h ARG 138 N 0.35 0.77 0.00 2.37 2.43 -1.02 0.27 114.38 119.56 1ffb h ARG 138 Ca -0.14 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1ffb h ARG 138 Cb 1.75 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 31.12 1ffb h ARG 138 CO 0.21 0.51 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.70 1ffb h ASP 139 N 0.80 0.00 1.08 -3.80 3.32 -1.26 -1.78 116.42 114.78 1ffb h ASP 139 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1ffb h ASP 139 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1ffb h ASP 139 CO -0.07 0.05 0.00 0.29 -1.72 0.00 0.00 179.24 177.79 1ffb n LYS 140 N -3.46 0.10 -2.74 3.56 5.02 0.08 -4.63 118.16 116.10 1ffb n LYS 140 Ca -0.02 0.13 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 1ffb n LYS 140 Cb 0.17 -1.63 -0.04 0.00 -0.02 0.00 0.00 35.03 33.51 1ffb n LYS 140 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ffb s ILE 141 N -3.06 4.15 0.35 -0.18 1.01 -0.67 -1.67 121.20 121.13 1ffb s ILE 141 Ca 0.11 0.19 0.14 0.00 0.00 0.00 0.00 60.65 61.09 1ffb s ILE 141 Cb 0.15 -4.71 0.10 0.00 0.01 0.00 0.00 42.46 38.01 1ffb s ILE 141 CO 0.51 -1.44 1.82 0.00 0.00 0.00 0.00 174.94 175.83 1ffb h ALA 142 N 9.61 1.33 -1.80 9.38 0.00 -1.18 -3.46 119.26 133.13 1ffb h ALA 142 Ca -0.27 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.34 1ffb h ALA 142 Cb 1.06 -0.06 -0.21 0.00 0.00 0.00 0.00 17.79 18.59 1ffb h ALA 142 CO 1.18 0.47 0.44 0.20 0.00 0.00 0.00 179.25 181.54 1ffb s GLY 143 N -4.32 -0.38 -0.02 0.00 0.00 -1.26 -4.76 107.32 96.58 1ffb s GLY 143 Ca -0.02 1.68 0.00 0.00 0.00 0.00 0.00 44.72 46.37 1ffb s GLY 143 CO 0.72 0.90 -0.00 -1.59 0.00 0.00 0.00 173.10 173.13 1ffb s THR 144 N -1.45 0.13 -0.08 0.90 2.01 0.14 -1.67 115.64 115.63 1ffb s THR 144 Ca -0.03 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1ffb s THR 144 Cb -0.00 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.29 1ffb s THR 144 CO 0.02 0.10 -0.13 0.68 -0.69 0.00 0.00 174.62 174.60 1ffb s VAL 145 N 0.67 3.12 -0.09 3.82 -7.23 -0.69 -1.39 120.40 118.61 1ffb s VAL 145 Ca -0.06 -0.68 0.02 0.00 -1.81 0.00 0.00 61.98 59.45 1ffb s VAL 145 Cb -0.09 -2.26 0.01 0.00 0.56 0.00 0.00 36.38 34.60 1ffb s VAL 145 CO -0.01 0.57 -0.15 -0.76 -0.31 0.00 0.00 175.10 174.44 1ffb s LEU 146 N -0.36 1.71 -0.08 1.32 1.43 0.10 -1.82 118.68 120.98 1ffb s LEU 146 Ca 0.04 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1ffb s LEU 146 Cb -0.12 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 1ffb s LEU 146 CO 0.02 0.04 -0.12 -0.36 0.23 0.00 0.00 176.35 176.16 1ffb s PHE 147 N 0.80 2.79 -1.28 0.29 0.40 -0.29 -0.18 117.98 120.51 1ffb s PHE 147 Ca -0.11 -0.27 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 1ffb s PHE 147 Cb -0.16 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.66 1ffb s PHE 147 CO 0.02 0.09 0.58 0.41 0.70 0.00 0.00 175.22 177.02 1ffb n GLY 148 N 2.70 -0.59 3.57 4.36 0.00 -0.28 -1.64 105.19 113.31 1ffb n GLY 148 Ca -0.18 0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1ffb n GLY 148 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ffb s TYR 149 N -3.73 1.63 0.17 1.61 5.04 -1.26 -2.83 117.35 117.98 1ffb s TYR 149 Ca 0.24 0.80 0.34 0.00 -2.44 0.00 0.00 57.07 56.01 1ffb s TYR 149 Cb -0.10 -4.04 1.69 0.00 0.35 0.00 0.00 41.96 39.87 1ffb s TYR 149 CO 0.89 -2.70 2.02 1.79 -1.34 0.00 0.00 175.55 176.22 1ffb h THR 150 N 6.96 0.00 -0.31 4.34 1.35 -1.74 -1.55 112.91 121.96 1ffb h THR 150 Ca -0.30 -0.15 -0.05 0.00 -0.55 0.00 0.00 66.41 65.37 1ffb h THR 150 Cb 1.18 0.98 -0.03 0.00 -1.73 0.00 0.00 68.15 68.55 1ffb h THR 150 CO 1.12 0.00 0.01 0.29 -0.25 0.00 0.00 175.52 176.68 1ffb n LYS 151 N -2.76 2.72 -0.05 4.72 4.76 -1.26 -4.74 118.16 121.55 1ffb n LYS 151 Ca -0.01 -2.92 -0.08 0.00 -2.87 0.00 0.00 58.31 52.42 1ffb n LYS 151 Cb 0.14 -1.86 -0.02 0.00 -1.84 0.00 0.00 35.03 31.44 1ffb n LYS 151 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1ffb h ASN 152 N 1.65 -0.04 -0.18 4.39 -1.24 -1.51 0.35 115.58 119.00 1ffb h ASN 152 Ca 0.06 0.04 -0.11 0.00 0.71 0.00 0.00 56.30 57.01 1ffb h ASN 152 Cb 1.54 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 40.66 1ffb h ASN 152 CO 0.29 0.01 -0.31 0.25 -1.29 0.00 0.00 177.43 176.38 1ffb h LEU 153 N 0.09 0.59 -0.80 0.34 5.85 -1.82 0.28 115.31 119.84 1ffb h LEU 153 Ca 0.10 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1ffb h LEU 153 Cb 0.11 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1ffb h LEU 153 CO -0.15 1.01 0.47 1.56 -0.34 0.00 0.00 178.44 180.99 1ffb h GLN 154 N 0.19 1.09 -0.65 1.25 7.50 -1.87 -2.23 115.11 120.39 1ffb h GLN 154 Ca 0.01 -0.10 0.00 0.00 0.50 0.00 0.00 58.65 59.06 1ffb h GLN 154 Cb 0.89 -0.23 0.00 0.00 0.05 0.00 0.00 27.48 28.20 1ffb h GLN 154 CO 0.07 0.77 0.00 0.09 -1.50 0.00 0.00 178.83 178.26 1ffb n ASN 155 N -4.46 3.79 -3.70 1.46 3.02 0.10 -4.94 115.26 110.53 1ffb n ASN 155 Ca 0.08 -2.16 -0.28 0.00 -0.03 0.00 0.00 54.58 52.18 1ffb n ASN 155 Cb 0.06 -0.48 0.02 0.00 -0.61 0.00 0.00 39.78 38.77 1ffb n ASN 155 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ffb n ARG 156 N 1.22 -5.01 -1.01 3.52 5.12 -0.73 -1.77 116.66 118.00 1ffb n ARG 156 Ca 0.22 0.61 -0.00 0.00 -1.93 0.00 0.00 57.85 56.74 1ffb n ARG 156 Cb 0.65 -5.46 -0.00 0.00 -1.16 0.00 0.00 32.46 26.49 1ffb n ARG 156 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ffb n GLY 157 N -1.57 0.43 3.65 -0.13 0.00 0.89 -5.02 105.19 103.45 1ffb n GLY 157 Ca 0.02 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1ffb n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ffb s ARG 158 N -0.55 2.04 -0.28 1.61 1.81 -0.73 -4.91 118.95 117.94 1ffb s ARG 158 Ca 0.00 -2.03 -0.06 0.00 -1.72 0.00 0.00 55.73 51.92 1ffb s ARG 158 Cb 0.00 -1.74 0.01 0.00 -0.45 0.00 0.00 34.95 32.77 1ffb s ARG 158 CO 0.00 -0.07 0.05 0.42 -0.68 0.00 0.00 175.30 175.02 1ffb s ILE 159 N -2.68 3.76 0.21 1.52 1.01 -1.26 -4.80 121.20 118.97 1ffb s ILE 159 Ca 0.37 -0.71 -0.31 0.00 0.00 0.00 0.00 60.65 59.99 1ffb s ILE 159 Cb 0.08 -2.92 -0.15 0.00 0.01 0.00 0.00 42.46 39.49 1ffb s ILE 159 CO 0.19 0.13 1.20 -2.65 0.00 0.00 0.00 174.94 173.82 1ffb n PRO 160 N 4.83 1.44 -0.96 2.79 -0.02 -1.26 -1.47 135.00 140.35 1ffb n PRO 160 Ca -0.15 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1ffb n PRO 160 Cb 0.48 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1ffb n PRO 160 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ffb n ASN 161 N 1.90 -3.64 -4.15 2.55 3.02 -1.26 -4.09 115.26 109.59 1ffb n ASN 161 Ca 0.13 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.41 1ffb n ASN 161 Cb 0.28 -1.77 -0.16 0.00 -0.61 0.00 0.00 39.78 37.52 1ffb n ASN 161 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ffb s TYR 162 N -1.72 1.80 0.35 3.10 5.04 -0.54 -5.01 117.35 120.37 1ffb s TYR 162 Ca 0.00 -0.52 -0.29 0.00 -2.44 0.00 0.00 57.07 53.82 1ffb s TYR 162 Cb 0.00 -1.21 -0.11 0.00 0.35 0.00 0.00 41.96 40.99 1ffb s TYR 162 CO 0.00 -0.17 1.46 -1.25 -1.34 0.00 0.00 175.55 174.25 1ffb s PRO 163 N 0.02 4.17 0.36 4.97 0.04 -1.26 -4.49 135.00 138.80 1ffb s PRO 163 Ca -0.04 2.49 0.04 0.00 0.04 0.00 0.00 61.00 63.53 1ffb s PRO 163 Cb -0.12 -3.00 0.68 0.00 0.04 0.00 0.00 34.50 32.10 1ffb s PRO 163 CO 0.02 -0.47 2.00 0.00 0.04 0.00 0.00 177.00 178.59 1ffb h ALA 164 N 3.43 1.60 0.00 8.56 0.00 -1.92 -2.23 119.26 128.70 1ffb h ALA 164 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1ffb h ALA 164 Cb 1.23 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ffb h ALA 164 CO 0.67 0.34 0.00 0.38 0.00 0.00 0.00 179.25 180.64 1ffb h ASP 165 N 0.80 0.00 -0.24 0.00 2.03 -2.01 -1.42 116.42 115.59 1ffb h ASP 165 Ca 0.25 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.55 1ffb h ASP 165 Cb -0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1ffb h ASP 165 CO -0.06 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.69 1ffb n ARG 166 N -2.75 2.44 -4.79 4.15 1.74 -0.84 -4.93 116.66 111.68 1ffb n ARG 166 Ca -0.00 -2.14 -0.33 0.00 -0.77 0.00 0.00 57.85 54.61 1ffb n ARG 166 Cb 0.20 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.01 1ffb n ARG 166 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ffb s THR 167 N -1.71 3.22 -0.14 0.55 2.01 -0.54 -0.68 115.64 118.35 1ffb s THR 167 Ca 0.34 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 1ffb s THR 167 Cb 0.22 -2.30 0.03 0.00 0.01 0.00 0.00 72.50 70.46 1ffb s THR 167 CO 0.31 0.57 -0.06 -0.75 -0.69 0.00 0.00 174.62 174.00 1ffb s LYS 168 N -0.37 1.39 -0.17 4.92 2.20 -0.49 -4.95 119.74 122.27 1ffb s LYS 168 Ca 0.04 -0.37 -0.06 0.00 -0.36 0.00 0.00 55.97 55.22 1ffb s LYS 168 Cb -0.12 -1.78 -0.04 0.00 -1.51 0.00 0.00 37.83 34.38 1ffb s LYS 168 CO 0.02 -0.37 0.03 0.08 -0.36 0.00 0.00 175.35 174.76 1ffb s VAL 169 N 1.69 4.54 -0.34 4.02 1.01 -1.26 -0.72 120.40 129.35 1ffb s VAL 169 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 1ffb s VAL 169 Cb -0.14 -3.03 0.07 0.00 0.00 0.00 0.00 36.38 33.29 1ffb s VAL 169 CO -0.08 0.48 0.08 -0.36 0.00 0.00 0.00 175.10 175.22 1ffb s PHE 170 N 0.27 3.41 -0.21 5.22 0.08 0.75 -4.96 117.98 122.54 1ffb s PHE 170 Ca 0.02 -2.12 -0.01 0.00 0.12 0.00 0.00 56.93 54.93 1ffb s PHE 170 Cb -0.13 -2.56 0.06 0.00 -0.57 0.00 0.00 43.02 39.82 1ffb s PHE 170 CO 0.01 -0.87 0.00 0.00 -0.10 0.00 0.00 175.22 174.26 1ffb s ASN 172 N 1.68 6.32 0.22 0.00 0.01 -1.26 -4.98 114.94 116.93 1ffb s ASN 172 Ca -0.03 1.85 -0.31 0.00 -0.71 0.00 0.00 52.86 53.66 1ffb s ASN 172 Cb -0.18 -2.55 -0.10 0.00 0.41 0.00 0.00 41.25 38.83 1ffb s ASN 172 CO -0.07 -0.80 1.51 -0.89 -1.51 0.00 0.00 177.10 175.34 1ffb s THR 173 N -2.16 2.57 0.00 1.60 2.01 -1.26 -1.37 115.64 117.02 1ffb s THR 173 Ca 0.65 0.45 0.00 0.00 0.31 0.00 0.00 61.69 63.10 1ffb s THR 173 Cb -0.15 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.08 1ffb s THR 173 CO 0.24 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 1ffb n GLY 174 N 2.77 1.33 3.56 4.40 0.00 -1.26 -4.78 105.19 111.21 1ffb n GLY 174 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1ffb n GLY 174 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ffb s ASP 175 N -3.01 6.33 0.54 1.61 -1.08 -0.47 -4.57 116.67 116.02 1ffb s ASP 175 Ca 0.00 -0.17 0.23 0.00 -0.52 0.00 0.00 52.55 52.09 1ffb s ASP 175 Cb 0.00 -2.54 1.50 0.00 -1.46 0.00 0.00 42.92 40.42 1ffb s ASP 175 CO 0.00 -1.56 2.17 -0.07 0.52 0.00 0.00 175.17 176.23 1ffb h LEU 176 N 12.14 0.00 -1.87 -1.34 3.38 -1.88 -2.16 115.31 123.58 1ffb h LEU 176 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1ffb h LEU 176 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ffb h LEU 176 CO 1.20 0.03 -0.03 -0.37 0.09 0.00 0.00 178.44 179.36 1ffb h VAL 177 N 0.00 0.11 0.00 1.22 -1.51 -1.70 -1.59 116.25 112.78 1ffb h VAL 177 Ca -0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1ffb h VAL 177 Cb 0.06 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1ffb h VAL 177 CO 0.00 0.03 -0.08 0.00 -1.23 0.00 0.00 177.57 176.30 1ffb n THR 179 N -2.17 2.45 -0.23 0.00 -2.24 -0.65 -3.28 114.28 108.18 1ffb n THR 179 Ca 0.05 -2.70 0.00 0.00 -2.27 0.00 0.00 64.05 59.14 1ffb n THR 179 Cb 0.42 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1ffb n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ffb n GLY 180 N -1.07 0.68 3.93 3.38 0.00 -1.21 -4.97 105.19 105.92 1ffb n GLY 180 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.09 1ffb n GLY 180 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ffb s SER 181 N -2.76 4.94 0.00 1.61 0.15 -0.92 -5.03 113.70 111.70 1ffb s SER 181 Ca 0.00 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 55.72 1ffb s SER 181 Cb 0.00 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1ffb s SER 181 CO 0.00 -0.97 0.56 0.18 1.20 0.00 0.00 173.24 174.21 1ffb n LEU 182 N -1.80 1.12 -4.75 3.45 4.77 -1.26 -3.94 117.00 114.60 1ffb n LEU 182 Ca 0.05 -1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 54.51 1ffb n LEU 182 Cb 0.62 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.68 1ffb n LEU 182 CO 0.40 0.28 0.87 -0.63 -1.33 0.00 0.00 177.39 176.98 1ffb s ILE 183 N -0.12 3.37 -0.36 -0.08 -1.09 -1.26 -4.91 121.20 116.74 1ffb s ILE 183 Ca 0.00 1.28 -0.18 0.00 -2.23 0.00 0.00 60.65 59.52 1ffb s ILE 183 Cb 0.00 -3.81 -0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1ffb s ILE 183 CO 0.00 0.26 0.49 -0.69 -1.23 0.00 0.00 174.94 173.78 1ffb s VAL 184 N -0.69 5.03 0.41 2.92 1.01 -1.26 -4.02 120.40 123.80 1ffb s VAL 184 Ca 0.49 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.75 1ffb s VAL 184 Cb -0.34 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 1ffb s VAL 184 CO 0.41 -0.24 0.13 0.00 0.00 0.00 0.00 175.10 175.40 1ffb s ALA 185 N 2.34 3.46 0.26 5.51 0.00 -1.26 -5.03 121.76 127.04 1ffb s ALA 185 Ca 0.17 -2.16 -0.02 0.00 0.00 0.00 0.00 51.96 49.95 1ffb s ALA 185 Cb -0.16 -0.21 0.56 0.00 0.00 0.00 0.00 23.12 23.32 1ffb s ALA 185 CO 0.13 -0.15 1.66 0.00 0.00 0.00 0.00 175.76 177.40 1ffb h ALA 186 N 1.53 1.07 0.00 0.00 0.00 -1.97 -0.99 119.26 118.90 1ffb h ALA 186 Ca -0.43 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ffb h ALA 186 Cb 1.25 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1ffb h ALA 186 CO 0.73 -0.40 -0.02 -1.35 0.00 0.00 0.00 179.25 178.21 1ffb h PRO 187 N 0.23 0.00 0.00 0.00 0.11 -1.86 -1.35 132.00 129.12 1ffb h PRO 187 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1ffb h PRO 187 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1ffb h PRO 187 CO -0.59 0.02 0.00 1.25 -0.21 0.00 0.00 178.00 178.47 1ffb h HIS 188 N 0.00 0.00 -0.46 0.65 2.76 -1.46 -2.97 115.15 113.67 1ffb h HIS 188 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1ffb h HIS 188 Cb 0.10 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1ffb h HIS 188 CO 0.00 0.00 0.00 1.28 -1.30 0.00 0.00 177.93 177.91 1ffb n LEU 189 N -2.73 4.30 -1.69 0.26 4.77 -0.51 -4.60 117.00 116.80 1ffb n LEU 189 Ca 0.01 -2.63 -0.17 0.00 -0.03 0.00 0.00 56.01 53.19 1ffb n LEU 189 Cb 0.28 -0.52 0.10 0.00 -2.33 0.00 0.00 43.42 40.94 1ffb n LEU 189 CO 0.24 0.73 0.52 0.00 -1.33 0.00 0.00 177.39 177.55 1ffb n ALA 190 N 0.40 4.89 0.52 -1.18 0.00 -1.12 -4.67 120.51 119.35 1ffb n ALA 190 Ca 0.22 -3.53 0.11 0.00 0.00 0.00 0.00 53.44 50.24 1ffb n ALA 190 Cb 0.85 -0.64 0.25 0.00 0.00 0.00 0.00 19.45 19.92 1ffb n ALA 190 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ffb n TYR 191 N -0.89 0.45 -0.07 0.00 4.01 -1.26 -4.49 117.16 114.90 1ffb n TYR 191 Ca 0.41 -0.23 -0.07 0.00 -0.16 0.00 0.00 57.90 57.86 1ffb n TYR 191 Cb 0.91 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.93 1ffb n TYR 191 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1ffb h GLY 192 N 4.67 0.11 1.13 2.72 0.00 -1.97 -0.46 103.07 109.27 1ffb h GLY 192 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.53 1ffb h GLY 192 CO 0.00 -0.15 0.52 -2.55 0.00 0.00 0.00 176.54 174.36 1ffb h PRO 193 N -0.09 0.96 -0.48 4.80 0.11 -1.99 -1.80 132.00 133.51 1ffb h PRO 193 Ca 0.15 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.08 1ffb h PRO 193 Cb 0.31 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1ffb h PRO 193 CO -0.35 0.63 -0.16 -0.44 -0.21 0.00 0.00 178.00 177.47 1ffb h ASP 194 N 0.98 0.94 0.57 -2.05 3.32 -1.64 -2.11 116.42 116.44 1ffb h ASP 194 Ca 0.31 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 1ffb h ASP 194 Cb 0.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1ffb h ASP 194 CO -0.09 1.09 -0.30 0.00 -1.72 0.00 0.00 179.24 178.23 1ffb h ALA 195 N 0.98 1.20 0.00 3.45 0.00 -0.53 -1.25 119.26 123.11 1ffb h ALA 195 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ffb h ALA 195 Cb 0.71 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ffb h ALA 195 CO 0.05 0.37 -0.86 0.00 0.00 0.00 0.00 179.25 178.82 1ffb h ARG 196 N 0.00 0.00 0.00 0.00 3.08 -1.07 -3.28 114.38 113.11 1ffb h ARG 196 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ffb h ARG 196 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1ffb h ARG 196 CO 0.04 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.37 1ffb n GLY 197 N 1.18 0.32 0.36 0.04 0.00 -0.82 -4.85 105.19 101.42 1ffb n GLY 197 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1ffb n GLY 197 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ffb h PRO 198 N 0.00 0.86 0.32 1.61 0.13 -1.76 -2.43 132.00 130.73 1ffb h PRO 198 Ca 0.00 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1ffb h PRO 198 Cb 0.00 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 30.94 1ffb h PRO 198 CO 0.00 0.57 -0.15 0.00 -0.23 0.00 0.00 178.00 178.19 1ffb h ALA 199 N 1.58 -0.43 -0.22 -0.56 0.00 -1.52 -1.07 119.26 117.05 1ffb h ALA 199 Ca 0.53 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 1ffb h ALA 199 Cb 0.65 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1ffb h ALA 199 CO -0.32 -0.67 -0.23 -1.00 0.00 0.00 0.00 179.25 177.04 1ffb h PRO 200 N -0.56 0.40 -0.65 0.00 0.13 -1.74 -2.07 132.00 127.51 1ffb h PRO 200 Ca -0.04 -0.14 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 1ffb h PRO 200 Cb 0.42 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.48 1ffb h PRO 200 CO 0.07 0.61 0.33 0.93 -0.23 0.00 0.00 178.00 179.71 1ffb h GLU 201 N 0.36 0.90 0.15 0.86 5.08 -1.33 0.78 114.58 121.39 1ffb h GLU 201 Ca 0.06 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1ffb h GLU 201 Cb 0.60 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ffb h GLU 201 CO 0.04 0.68 -0.07 0.35 -1.00 0.00 0.00 179.01 179.01 1ffb h PHE 202 N 0.91 -0.19 -0.44 4.33 3.57 -0.80 -1.48 116.94 122.82 1ffb h PHE 202 Ca 0.23 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.75 1ffb h PHE 202 Cb 0.06 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1ffb h PHE 202 CO 0.01 0.03 0.25 -0.07 -2.23 0.00 0.00 178.31 176.29 1ffb h LEU 203 N -0.39 0.40 -0.45 0.59 3.38 -0.90 -1.34 115.31 116.60 1ffb h LEU 203 Ca -0.02 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1ffb h LEU 203 Cb 0.31 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1ffb h LEU 203 CO 0.03 0.28 0.17 0.40 0.09 0.00 0.00 178.44 179.41 1ffb h ILE 204 N 0.50 1.21 -0.86 1.22 2.04 -0.85 -1.26 117.51 119.52 1ffb h ILE 204 Ca 0.18 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1ffb h ILE 204 Cb 0.04 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1ffb h ILE 204 CO -0.10 0.25 0.41 -0.08 0.00 0.00 0.00 178.15 178.63 1ffb h GLU 205 N 0.59 1.23 -0.67 2.37 4.22 -1.03 -0.24 114.58 121.06 1ffb h GLU 205 Ca 0.15 -0.18 -0.08 0.00 0.08 0.00 0.00 59.36 59.33 1ffb h GLU 205 Cb 0.22 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1ffb h GLU 205 CO -0.01 0.95 0.10 0.87 -2.18 0.00 0.00 179.01 178.73 1ffb h LYS 206 N 1.22 1.11 -0.15 1.92 1.79 -0.90 -1.63 116.57 119.93 1ffb h LYS 206 Ca 0.29 -0.30 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1ffb h LYS 206 Cb 0.12 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1ffb h LYS 206 CO -0.04 1.02 -0.01 0.28 -1.08 0.00 0.00 179.45 179.62 1ffb h VAL 207 N 1.03 1.26 -0.99 0.50 2.07 -0.84 -1.90 116.25 117.38 1ffb h VAL 207 Ca 0.20 -0.87 0.07 0.00 0.82 0.00 0.00 66.70 66.92 1ffb h VAL 207 Cb 0.45 1.54 -0.07 0.00 -1.52 0.00 0.00 31.29 31.69 1ffb h VAL 207 CO 0.01 0.26 0.64 0.03 0.02 0.00 0.00 177.57 178.53 1ffb h ARG 208 N 0.01 1.10 0.14 1.57 3.08 -0.99 -1.67 114.38 117.61 1ffb h ARG 208 Ca 0.04 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1ffb h ARG 208 Cb 0.39 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1ffb h ARG 208 CO 0.01 0.73 -0.07 0.00 -1.07 0.00 0.00 179.97 179.57 1ffb h ALA 209 N 1.48 -0.19 -0.29 0.04 0.00 -1.15 -2.34 119.26 116.80 1ffb h ALA 209 Ca 0.44 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1ffb h ALA 209 Cb 0.22 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ffb h ALA 209 CO -0.18 -0.37 -0.10 -0.39 0.00 0.00 0.00 179.25 178.20 1ffb h VAL 210 N -0.66 1.22 -0.18 0.00 -1.51 -1.16 -2.42 116.25 111.54 1ffb h VAL 210 Ca -0.02 -0.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.49 1ffb h VAL 210 Cb 0.49 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1ffb h VAL 210 CO 0.03 0.32 0.00 0.54 -1.23 0.00 0.00 177.57 177.23 1ffb n ARG 211 N -4.22 1.82 -4.02 5.19 1.74 -0.65 -4.92 116.66 111.60 1ffb n ARG 211 Ca 0.01 -1.23 -0.22 0.00 -0.77 0.00 0.00 57.85 55.63 1ffb n ARG 211 Cb 0.30 -1.41 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 1ffb n ARG 211 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ffb s GLY 212 N -1.57 1.73 0.00 -0.13 0.00 -0.88 -5.04 107.32 101.43 1ffb s GLY 212 Ca 0.33 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.39 1ffb s GLY 212 CO 0.27 -1.62 0.00 1.44 0.00 0.00 0.00 173.10 173.18