#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fnb n ARG 2 N 0.00 0.00 -3.88 0.03 1.85 -1.26 -5.18 116.66 108.22 2fnb n ARG 2 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.76 2fnb n ARG 2 Cb 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.35 2fnb n ARG 2 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2fnb s GLY 3 N 0.00 0.26 1.12 2.89 0.00 -1.26 -5.17 107.32 105.17 2fnb s GLY 3 Ca 0.00 -0.63 -0.18 0.00 0.00 0.00 0.00 44.72 43.91 2fnb s GLY 3 CO 0.00 -0.60 1.18 -0.45 0.00 0.00 0.00 173.10 173.23 2fnb s SER 4 N -2.94 1.63 0.00 1.64 0.15 -1.26 -5.04 113.70 107.89 2fnb s SER 4 Ca 0.14 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2fnb s SER 4 Cb 0.01 -0.71 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 2fnb s SER 4 CO -0.00 -3.67 0.85 1.21 1.20 0.00 0.00 173.24 172.83 2fnb n GLU 5 N -4.44 0.00 -3.87 5.44 2.13 -1.26 -4.92 120.64 113.72 2fnb n GLU 5 Ca 0.14 0.37 -0.11 0.00 0.66 0.00 0.00 57.16 58.22 2fnb n GLU 5 Cb 0.59 -1.36 -0.11 0.00 0.27 0.00 0.00 31.44 30.84 2fnb n GLU 5 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2fnb s VAL 6 N -2.45 0.06 -0.17 6.31 1.01 -1.26 -5.06 120.40 118.84 2fnb s VAL 6 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2fnb s VAL 6 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 2fnb s VAL 6 CO 0.00 -0.28 1.54 -2.16 0.00 0.00 0.00 175.10 174.20 2fnb s PRO 7 N -0.96 3.99 0.62 2.72 0.04 -1.26 -4.81 135.00 135.34 2fnb s PRO 7 Ca -0.10 1.78 -0.03 0.00 0.04 0.00 0.00 61.00 62.68 2fnb s PRO 7 Cb -0.06 -3.96 0.04 0.00 0.04 0.00 0.00 34.50 30.56 2fnb s PRO 7 CO 0.01 -1.06 0.89 1.14 0.04 0.00 0.00 177.00 178.02 2fnb s GLN 8 N 4.26 2.43 -1.09 4.56 1.03 -1.26 -4.93 119.66 124.65 2fnb s GLN 8 Ca 0.68 -0.48 -0.22 0.00 0.04 0.00 0.00 55.36 55.38 2fnb s GLN 8 Cb -0.26 -2.33 0.04 0.00 0.03 0.00 0.00 33.01 30.49 2fnb s GLN 8 CO 0.26 -0.94 1.60 -0.51 -2.54 0.00 0.00 175.29 173.17 2fnb s LEU 9 N -4.99 3.54 0.22 2.60 1.43 -1.26 -4.75 118.68 115.47 2fnb s LEU 9 Ca 0.58 -1.66 0.10 0.00 -1.03 0.00 0.00 54.13 52.11 2fnb s LEU 9 Cb -0.11 -2.57 0.13 0.00 0.03 0.00 0.00 46.19 43.67 2fnb s LEU 9 CO 0.42 -1.61 1.47 0.74 0.23 0.00 0.00 176.35 177.60 2fnb h THR 10 N 6.47 1.48 -0.03 5.49 2.02 -1.96 -3.26 112.91 123.12 2fnb h THR 10 Ca 0.26 -2.63 0.00 0.00 0.77 0.00 0.00 66.41 64.81 2fnb h THR 10 Cb 0.97 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.82 2fnb h THR 10 CO 1.41 0.74 0.00 -0.67 0.37 0.00 0.00 175.52 177.36 2fnb n ASP 11 N -3.55 0.28 -4.66 4.18 -0.08 -1.26 -4.92 116.55 106.53 2fnb n ASP 11 Ca -0.00 -1.52 -0.47 0.00 -1.51 0.00 0.00 54.79 51.29 2fnb n ASP 11 Cb 0.75 -0.02 -0.04 0.00 2.34 0.00 0.00 41.12 44.15 2fnb n ASP 11 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2fnb n LEU 12 N -0.58 2.94 -3.88 -2.67 -0.00 -1.23 -4.31 117.00 107.27 2fnb n LEU 12 Ca 0.13 1.08 -0.09 0.00 -0.00 0.00 0.00 56.01 57.13 2fnb n LEU 12 Cb 0.10 -1.40 -0.06 0.00 -0.00 0.00 0.00 43.42 42.07 2fnb n LEU 12 CO 0.10 -0.37 0.10 -0.44 -0.00 0.00 0.00 177.39 176.78 2fnb s SER 13 N 0.93 -0.07 0.17 1.96 0.01 -0.42 -4.99 113.70 111.29 2fnb s SER 13 Ca 0.80 -0.73 0.03 0.00 1.31 0.00 0.00 55.95 57.35 2fnb s SER 13 Cb -0.71 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 2fnb s SER 13 CO 0.39 -0.96 0.31 -0.36 0.41 0.00 0.00 173.24 173.03 2fnb s PHE 14 N -3.93 3.48 0.19 2.43 0.08 -1.26 -0.56 117.98 118.41 2fnb s PHE 14 Ca 0.14 0.11 -0.06 0.00 0.12 0.00 0.00 56.93 57.24 2fnb s PHE 14 Cb 0.02 -1.66 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 2fnb s PHE 14 CO -0.01 0.49 0.25 0.14 -0.10 0.00 0.00 175.22 175.99 2fnb s VAL 15 N -1.80 0.03 -1.34 -0.44 -7.23 0.01 -4.88 120.40 104.76 2fnb s VAL 15 Ca 0.35 -1.66 -0.22 0.00 -1.81 0.00 0.00 61.98 58.64 2fnb s VAL 15 Cb -0.11 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.69 2fnb s VAL 15 CO 0.29 -0.15 0.44 0.47 -0.31 0.00 0.00 175.10 175.84 2fnb n ASP 16 N -0.26 -2.29 -3.51 4.85 9.92 -1.26 -0.33 116.55 123.67 2fnb n ASP 16 Ca -0.03 -1.28 -0.39 0.00 -0.53 0.00 0.00 54.79 52.56 2fnb n ASP 16 Cb 0.64 -1.73 -0.02 0.00 -0.64 0.00 0.00 41.12 39.36 2fnb n ASP 16 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2fnb n ILE 17 N -4.86 3.53 -2.42 0.53 -0.00 -1.26 -3.64 119.36 111.24 2fnb n ILE 17 Ca -0.19 -2.56 -0.25 0.00 -0.00 0.00 0.00 62.75 59.75 2fnb n ILE 17 Cb 0.61 -2.54 0.05 0.00 -0.00 0.00 0.00 39.64 37.76 2fnb n ILE 17 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2fnb s THR 18 N 3.00 2.87 -1.72 1.39 -1.32 -1.02 -4.99 115.64 113.85 2fnb s THR 18 Ca 0.56 -0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.73 2fnb s THR 18 Cb 0.15 -3.16 0.00 0.00 -1.51 0.00 0.00 72.50 67.98 2fnb s THR 18 CO -0.05 -0.15 0.62 0.47 -2.21 0.00 0.00 174.62 173.30 2fnb n ASP 19 N -2.62 0.20 0.00 8.08 9.92 -1.26 -2.63 116.55 128.23 2fnb n ASP 19 Ca 0.06 -1.44 0.00 0.00 -0.53 0.00 0.00 54.79 52.89 2fnb n ASP 19 Cb 0.59 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 2fnb n ASP 19 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2fnb n SER 20 N -0.32 2.11 -3.64 -2.24 3.41 -1.26 -4.80 113.62 106.88 2fnb n SER 20 Ca 0.00 -0.15 -0.02 0.00 -0.26 0.00 0.00 58.87 58.44 2fnb n SER 20 Cb 0.05 0.72 -0.05 0.00 -0.26 0.00 0.00 64.21 64.67 2fnb n SER 20 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2fnb s SER 21 N -1.14 -0.05 -0.04 4.04 1.04 -1.08 -3.84 113.70 112.64 2fnb s SER 21 Ca 0.00 0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.55 2fnb s SER 21 Cb 0.00 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 2fnb s SER 21 CO 0.00 -0.04 -0.17 -0.51 0.98 0.00 0.00 173.24 173.50 2fnb s ILE 22 N -0.72 2.84 0.28 -1.02 2.07 -1.00 -2.44 121.20 121.22 2fnb s ILE 22 Ca 0.08 -0.83 0.06 0.00 -1.41 0.00 0.00 60.65 58.55 2fnb s ILE 22 Cb -0.02 -2.10 -0.02 0.00 0.13 0.00 0.00 42.46 40.45 2fnb s ILE 22 CO -0.10 0.57 0.39 -0.83 -1.91 0.00 0.00 174.94 173.06 2fnb s GLY 23 N -0.75 1.40 0.04 1.50 0.00 0.55 -0.77 107.32 109.29 2fnb s GLY 23 Ca 0.11 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.48 2fnb s GLY 23 CO 0.00 -1.33 -0.04 1.08 0.00 0.00 0.00 173.10 172.82 2fnb s LEU 24 N -4.05 2.33 0.08 0.66 1.02 0.50 -0.81 118.68 118.41 2fnb s LEU 24 Ca 0.39 -0.68 0.03 0.00 0.02 0.00 0.00 54.13 53.89 2fnb s LEU 24 Cb -0.09 0.08 -0.03 0.00 0.02 0.00 0.00 46.19 46.16 2fnb s LEU 24 CO 0.29 -0.38 -0.08 0.00 0.02 0.00 0.00 176.35 176.20 2fnb s ARG 25 N -2.30 0.76 0.02 1.70 1.70 0.28 -1.73 118.95 119.37 2fnb s ARG 25 Ca -0.07 -1.10 -0.02 0.00 -0.47 0.00 0.00 55.73 54.07 2fnb s ARG 25 Cb -0.04 -0.36 0.01 0.00 -0.57 0.00 0.00 34.95 33.98 2fnb s ARG 25 CO -0.03 0.04 0.08 -2.67 -1.08 0.00 0.00 175.30 171.64 2fnb n TRP 26 N 0.62 -0.82 -3.58 5.89 2.14 -0.15 -1.30 117.44 120.25 2fnb n TRP 26 Ca -0.17 -0.12 -0.41 0.00 2.07 0.00 0.00 57.50 58.87 2fnb n TRP 26 Cb 0.58 0.06 -0.10 0.00 -0.81 0.00 0.00 31.31 31.04 2fnb n TRP 26 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 2fnb s THR 27 N -2.68 4.42 0.10 -1.67 2.01 -1.26 -4.61 115.64 111.95 2fnb s THR 27 Ca 0.02 -1.21 -0.31 0.00 0.31 0.00 0.00 61.69 60.50 2fnb s THR 27 Cb -0.00 -3.63 -0.09 0.00 0.01 0.00 0.00 72.50 68.78 2fnb s THR 27 CO 0.01 -0.43 1.76 -2.16 -0.69 0.00 0.00 174.62 173.11 2fnb s PRO 28 N 1.48 4.16 -0.70 4.92 0.04 -1.26 -4.97 135.00 138.67 2fnb s PRO 28 Ca 0.03 2.49 -0.19 0.00 0.04 0.00 0.00 61.00 63.37 2fnb s PRO 28 Cb -0.22 -3.63 0.12 0.00 0.04 0.00 0.00 34.50 30.81 2fnb s PRO 28 CO 0.04 -0.80 0.83 -0.51 0.04 0.00 0.00 177.00 176.60 2fnb s LEU 29 N 2.79 5.38 0.00 -3.56 1.43 -1.26 -4.95 118.68 118.50 2fnb s LEU 29 Ca 0.78 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 2fnb s LEU 29 Cb -0.43 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.46 2fnb s LEU 29 CO 0.35 -1.08 1.04 0.59 0.23 0.00 0.00 176.35 177.48 2fnb n ASN 30 N 6.25 2.91 -4.67 2.29 3.02 -1.26 -4.86 115.26 118.93 2fnb n ASN 30 Ca 0.01 -1.70 -0.47 0.00 -0.03 0.00 0.00 54.58 52.39 2fnb n ASN 30 Cb 0.45 -0.56 -0.04 0.00 -0.61 0.00 0.00 39.78 39.02 2fnb n ASN 30 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2fnb n SER 31 N 1.05 3.59 -1.87 6.41 7.64 -1.26 -4.87 113.62 124.31 2fnb n SER 31 Ca 0.00 0.93 -0.01 0.00 1.01 0.00 0.00 58.87 60.80 2fnb n SER 31 Cb 0.37 -1.41 -0.01 0.00 -1.01 0.00 0.00 64.21 62.15 2fnb n SER 31 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2fnb n SER 32 N 7.03 2.03 0.00 6.43 3.41 -1.26 -1.91 113.62 129.35 2fnb n SER 32 Ca 0.23 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 2fnb n SER 32 Cb 0.32 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2fnb n SER 32 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2fnb n THR 33 N 1.94 0.00 -1.65 6.66 5.66 -1.26 -5.09 114.28 120.53 2fnb n THR 33 Ca 0.02 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.62 2fnb n THR 33 Cb 0.21 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.01 2fnb n THR 33 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fnb n ILE 34 N 0.00 2.79 -0.09 1.09 3.06 -0.80 -1.76 119.36 123.64 2fnb n ILE 34 Ca 0.00 -0.50 -0.17 0.00 -2.50 0.00 0.00 62.75 59.58 2fnb n ILE 34 Cb 0.00 -1.35 -0.09 0.00 0.54 0.00 0.00 39.64 38.74 2fnb n ILE 34 CO 0.00 0.00 0.00 0.40 -2.50 0.00 0.00 176.55 174.45 2fnb h ILE 35 N 1.56 0.73 0.00 9.51 2.04 -1.48 -3.46 117.51 126.41 2fnb h ILE 35 Ca -0.47 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 63.50 2fnb h ILE 35 Cb 1.32 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 2fnb h ILE 35 CO 0.57 0.25 0.00 0.61 0.00 0.00 0.00 178.15 179.58 2fnb n GLY 36 N 1.49 -0.68 2.99 5.37 0.00 -1.20 -4.53 105.19 108.63 2fnb n GLY 36 Ca -0.25 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 2fnb n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fnb s TYR 37 N -3.73 0.85 -0.23 1.61 1.51 -1.26 -2.21 117.35 113.89 2fnb s TYR 37 Ca 0.00 -0.20 -0.11 0.00 -1.01 0.00 0.00 57.07 55.74 2fnb s TYR 37 Cb 0.00 -0.61 -0.05 0.00 -0.11 0.00 0.00 41.96 41.19 2fnb s TYR 37 CO 0.00 -0.09 0.20 0.50 -1.11 0.00 0.00 175.55 175.05 2fnb s ARG 38 N 0.19 4.11 0.15 -0.62 3.00 -0.27 -2.64 118.95 122.86 2fnb s ARG 38 Ca -0.03 -0.18 0.02 0.00 -1.00 0.00 0.00 55.73 54.55 2fnb s ARG 38 Cb -0.08 -3.52 -0.04 0.00 0.00 0.00 0.00 34.95 31.32 2fnb s ARG 38 CO 0.00 0.08 0.29 0.42 0.00 0.00 0.00 175.30 176.10 2fnb s ILE 39 N 0.99 5.32 0.03 4.11 1.09 -0.30 -1.32 121.20 131.11 2fnb s ILE 39 Ca 0.10 -0.68 -0.04 0.00 -1.10 0.00 0.00 60.65 58.93 2fnb s ILE 39 Cb -0.13 -3.75 -0.01 0.00 -1.06 0.00 0.00 42.46 37.51 2fnb s ILE 39 CO 0.04 -0.10 0.06 -0.89 -0.10 0.00 0.00 174.94 173.95 2fnb s THR 40 N -1.76 0.13 -0.03 2.92 2.01 0.38 -2.92 115.64 116.37 2fnb s THR 40 Ca 0.35 -1.06 0.03 0.00 0.31 0.00 0.00 61.69 61.31 2fnb s THR 40 Cb -0.11 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.66 2fnb s THR 40 CO 0.29 -0.59 -0.11 0.68 -0.69 0.00 0.00 174.62 174.20 2fnb s VAL 41 N -2.29 0.98 0.20 3.82 -7.23 -0.96 -0.69 120.40 114.23 2fnb s VAL 41 Ca -0.08 -0.47 0.04 0.00 -1.81 0.00 0.00 61.98 59.66 2fnb s VAL 41 Cb -0.03 -0.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.99 2fnb s VAL 41 CO -0.03 0.30 -0.03 0.68 -0.31 0.00 0.00 175.10 175.71 2fnb s VAL 42 N 0.18 1.04 -0.45 1.32 -7.23 -0.60 -1.46 120.40 113.21 2fnb s VAL 42 Ca -0.04 -2.04 -0.24 0.00 -1.81 0.00 0.00 61.98 57.86 2fnb s VAL 42 Cb -0.10 -2.20 0.03 0.00 0.56 0.00 0.00 36.38 34.67 2fnb s VAL 42 CO 0.01 -0.44 0.83 0.00 -0.31 0.00 0.00 175.10 175.18 2fnb s ALA 43 N -3.42 3.28 0.00 1.32 0.00 -0.29 -1.15 121.76 121.51 2fnb s ALA 43 Ca 0.25 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2fnb s ALA 43 Cb 0.05 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2fnb s ALA 43 CO 0.06 -1.94 0.00 0.00 0.00 0.00 0.00 175.76 173.88 2fnb n ALA 44 N 6.83 0.00 -1.06 0.00 0.00 0.67 -0.38 120.51 126.57 2fnb n ALA 44 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 2fnb n ALA 44 Cb 0.48 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 2fnb n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fnb n GLY 45 N 0.51 0.44 1.65 0.00 0.00 -1.26 -4.82 105.19 101.71 2fnb n GLY 45 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 2fnb n GLY 45 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fnb n GLU 46 N -1.37 1.15 0.00 1.61 4.07 0.49 -4.80 120.64 121.79 2fnb n GLU 46 Ca -0.02 -0.21 0.00 0.00 -0.06 0.00 0.00 57.16 56.87 2fnb n GLU 46 Cb 0.27 -1.24 0.00 0.00 -0.06 0.00 0.00 31.44 30.40 2fnb n GLU 46 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2fnb n GLY 47 N 1.76 1.26 3.43 8.31 0.00 -1.26 -4.91 105.19 113.77 2fnb n GLY 47 Ca 0.09 -0.01 -0.48 0.00 0.00 0.00 0.00 46.02 45.62 2fnb n GLY 47 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2fnb n ILE 48 N 0.00 0.04 -1.48 -0.61 5.41 -1.26 -4.91 119.36 116.55 2fnb n ILE 48 Ca 0.00 -0.18 -0.29 0.00 1.00 0.00 0.00 62.75 63.28 2fnb n ILE 48 Cb 0.00 -1.13 0.16 0.00 -0.71 0.00 0.00 39.64 37.96 2fnb n ILE 48 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2fnb s PRO 49 N 7.41 0.76 0.00 0.38 0.04 -1.26 -1.13 135.00 141.20 2fnb s PRO 49 Ca 1.20 0.22 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2fnb s PRO 49 Cb -1.06 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 31.68 2fnb s PRO 49 CO 0.50 -2.44 0.00 -0.89 0.04 0.00 0.00 177.00 174.21 2fnb n ILE 50 N -3.92 0.00 -3.99 0.56 2.08 -0.53 -4.66 119.36 108.90 2fnb n ILE 50 Ca 0.08 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.29 2fnb n ILE 50 Cb 0.59 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.41 2fnb n ILE 50 CO 0.00 0.00 0.00 0.72 0.56 0.00 0.00 176.55 177.83 2fnb s PHE 51 N 0.53 0.48 -0.26 1.39 -0.71 -1.20 -5.01 117.98 113.19 2fnb s PHE 51 Ca 0.00 -0.83 -0.02 0.00 -1.04 0.00 0.00 56.93 55.04 2fnb s PHE 51 Cb 0.00 -0.09 0.08 0.00 -1.21 0.00 0.00 43.02 41.80 2fnb s PHE 51 CO 0.00 -0.73 0.08 -1.21 -1.34 0.00 0.00 175.22 172.02 2fnb s GLU 52 N -3.99 0.61 0.24 1.99 8.01 -1.26 -2.26 118.70 122.04 2fnb s GLU 52 Ca 0.20 -0.74 0.07 0.00 0.01 0.00 0.00 54.97 54.51 2fnb s GLU 52 Cb 0.03 -1.90 -0.04 0.00 -4.31 0.00 0.00 34.13 27.92 2fnb s GLU 52 CO 0.02 -0.86 0.19 0.34 0.01 0.00 0.00 175.26 174.96 2fnb s ASP 53 N 1.79 5.56 0.52 -0.19 2.15 -1.15 -4.97 116.67 120.37 2fnb s ASP 53 Ca 0.05 -0.21 0.07 0.00 0.43 0.00 0.00 52.55 52.89 2fnb s ASP 53 Cb -0.17 -1.43 0.04 0.00 -0.30 0.00 0.00 42.92 41.05 2fnb s ASP 53 CO -0.21 -0.02 0.52 -0.36 -0.17 0.00 0.00 175.17 174.93 2fnb s PHE 54 N -2.06 1.89 0.28 -5.34 0.40 -1.26 -1.16 117.98 110.74 2fnb s PHE 54 Ca 0.33 -0.70 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 2fnb s PHE 54 Cb -0.08 -2.09 -0.00 0.00 0.51 0.00 0.00 43.02 41.36 2fnb s PHE 54 CO 0.25 -0.58 0.01 1.33 0.70 0.00 0.00 175.22 176.93 2fnb n VAL 55 N -1.85 0.00 0.00 -0.44 0.24 -1.08 -4.89 118.33 110.31 2fnb n VAL 55 Ca 0.05 -1.38 0.00 0.00 -2.04 0.00 0.00 64.34 60.97 2fnb n VAL 55 Cb 0.63 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 2fnb n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2fnb n ASP 56 N -1.26 0.00 0.00 -1.34 -0.08 -1.26 -4.62 116.55 107.99 2fnb n ASP 56 Ca -0.11 0.51 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 2fnb n ASP 56 Cb 0.37 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.82 2fnb n ASP 56 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2fnb n SER 57 N -0.55 0.00 -1.00 1.67 3.41 -1.26 -4.62 113.62 111.27 2fnb n SER 57 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 2fnb n SER 57 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 2fnb n SER 57 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2fnb n SER 58 N 0.00 1.05 -4.75 4.04 3.41 -1.26 -4.74 113.62 111.37 2fnb n SER 58 Ca 0.00 -2.48 -0.41 0.00 -0.26 0.00 0.00 58.87 55.72 2fnb n SER 58 Cb 0.00 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 63.57 2fnb n SER 58 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2fnb s VAL 59 N -0.90 3.53 -0.40 -3.33 1.01 -1.26 -4.82 120.40 114.22 2fnb s VAL 59 Ca 0.28 1.46 0.04 0.00 0.00 0.00 0.00 61.98 63.75 2fnb s VAL 59 Cb 0.30 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.76 2fnb s VAL 59 CO -0.10 0.32 0.52 0.61 0.00 0.00 0.00 175.10 176.45 2fnb n GLY 60 N 1.46 -0.76 2.99 4.51 0.00 -1.26 -4.26 105.19 107.86 2fnb n GLY 60 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 2fnb n GLY 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2fnb s TYR 61 N -0.50 -0.65 0.00 1.61 6.14 -1.26 -0.97 117.35 121.72 2fnb s TYR 61 Ca 0.04 0.92 0.01 0.00 0.64 0.00 0.00 57.07 58.68 2fnb s TYR 61 Cb 0.03 0.01 -0.00 0.00 0.42 0.00 0.00 41.96 42.42 2fnb s TYR 61 CO 0.06 -0.57 -0.03 -0.47 0.64 0.00 0.00 175.55 175.18 2fnb s TYR 62 N 2.50 0.26 0.11 4.97 5.04 -0.71 -5.00 117.35 124.53 2fnb s TYR 62 Ca 0.06 -0.11 0.07 0.00 -2.44 0.00 0.00 57.07 54.66 2fnb s TYR 62 Cb -0.14 -0.17 -0.04 0.00 0.35 0.00 0.00 41.96 41.97 2fnb s TYR 62 CO -0.13 -0.02 -0.17 0.99 -1.34 0.00 0.00 175.55 174.87 2fnb s THR 63 N -0.25 1.52 0.16 4.34 2.01 -1.26 -0.37 115.64 121.79 2fnb s THR 63 Ca -0.01 -1.61 0.07 0.00 0.31 0.00 0.00 61.69 60.45 2fnb s THR 63 Cb -0.02 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 2fnb s THR 63 CO -0.00 -0.22 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.86 2fnb s VAL 64 N -1.58 1.57 0.00 3.82 1.01 0.05 -5.01 120.40 120.27 2fnb s VAL 64 Ca 0.07 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.12 2fnb s VAL 64 Cb -0.08 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.52 2fnb s VAL 64 CO 0.04 -0.46 0.00 0.41 0.00 0.00 0.00 175.10 175.09 2fnb n THR 65 N 0.17 0.00 -0.96 3.92 -1.04 -1.26 -2.36 114.28 112.75 2fnb n THR 65 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2fnb n THR 65 Cb 0.58 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 2fnb n THR 65 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2fnb n GLY 66 N 2.33 0.38 3.82 3.41 0.00 -1.25 -4.87 105.19 109.01 2fnb n GLY 66 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2fnb n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fnb s LEU 67 N 0.00 3.95 -0.31 0.99 1.43 -1.26 -5.06 118.68 118.42 2fnb s LEU 67 Ca 0.00 1.73 0.01 0.00 -1.03 0.00 0.00 54.13 54.84 2fnb s LEU 67 Cb 0.00 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 41.80 2fnb s LEU 67 CO 0.00 -0.39 0.05 -0.70 0.23 0.00 0.00 176.35 175.54 2fnb s GLU 68 N -3.12 1.18 0.71 1.70 2.12 -1.26 -4.83 118.70 115.20 2fnb s GLU 68 Ca 0.62 -1.36 -0.12 0.00 0.36 0.00 0.00 54.97 54.47 2fnb s GLU 68 Cb -0.10 -2.57 0.03 0.00 0.26 0.00 0.00 34.13 31.74 2fnb s GLU 68 CO 0.14 -0.89 1.09 -1.25 -0.54 0.00 0.00 175.26 173.82 2fnb s PRO 69 N 1.30 2.57 0.00 4.30 0.04 -1.26 -3.69 135.00 138.27 2fnb s PRO 69 Ca 0.07 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2fnb s PRO 69 Cb -0.18 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2fnb s PRO 69 CO -0.15 -1.41 0.00 0.41 0.04 0.00 0.00 177.00 175.90 2fnb n GLY 70 N -1.00 2.80 3.90 0.56 0.00 -1.26 -4.98 105.19 105.20 2fnb n GLY 70 Ca 0.09 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 2fnb n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fnb s ILE 71 N -2.83 4.88 -0.02 -0.61 1.09 -1.24 -4.87 121.20 117.59 2fnb s ILE 71 Ca 0.00 0.32 -0.03 0.00 -1.10 0.00 0.00 60.65 59.84 2fnb s ILE 71 Cb 0.00 -3.84 -0.04 0.00 -1.06 0.00 0.00 42.46 37.52 2fnb s ILE 71 CO 0.00 -0.79 0.16 -0.62 -0.10 0.00 0.00 174.94 173.59 2fnb s ASP 72 N -3.90 6.22 -0.03 3.58 -1.08 -1.26 -2.78 116.67 117.42 2fnb s ASP 72 Ca 0.48 0.32 0.03 0.00 -0.52 0.00 0.00 52.55 52.86 2fnb s ASP 72 Cb -0.10 -1.93 0.00 0.00 -1.46 0.00 0.00 42.92 39.43 2fnb s ASP 72 CO 0.42 0.28 -0.10 -0.31 0.52 0.00 0.00 175.17 175.99 2fnb s TYR 73 N -1.26 1.08 -0.32 -5.34 1.51 -0.59 -0.23 117.35 112.20 2fnb s TYR 73 Ca 0.25 -0.29 -0.25 0.00 -1.01 0.00 0.00 57.07 55.76 2fnb s TYR 73 Cb -0.12 -0.77 0.01 0.00 -0.11 0.00 0.00 41.96 40.96 2fnb s TYR 73 CO 0.16 -0.13 0.89 -0.51 -1.11 0.00 0.00 175.55 174.85 2fnb s ASP 74 N 0.26 6.74 -0.26 2.29 1.01 -0.30 -2.52 116.67 123.88 2fnb s ASP 74 Ca -0.05 0.75 -0.10 0.00 0.71 0.00 0.00 52.55 53.86 2fnb s ASP 74 Cb -0.10 -2.46 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 2fnb s ASP 74 CO 0.01 -0.74 0.16 -0.63 0.21 0.00 0.00 175.17 174.19 2fnb s ILE 75 N 3.25 5.15 0.00 0.77 1.09 -0.10 -1.56 121.20 129.79 2fnb s ILE 75 Ca 0.37 0.11 0.06 0.00 -1.10 0.00 0.00 60.65 60.09 2fnb s ILE 75 Cb -0.13 -3.43 -0.03 0.00 -1.06 0.00 0.00 42.46 37.81 2fnb s ILE 75 CO 0.14 0.29 -0.18 -0.94 -0.10 0.00 0.00 174.94 174.15 2fnb s SER 76 N 1.57 3.75 -0.02 3.58 1.04 0.13 -1.02 113.70 122.72 2fnb s SER 76 Ca 0.07 -0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.14 2fnb s SER 76 Cb -0.15 -0.64 0.03 0.00 0.10 0.00 0.00 66.02 65.36 2fnb s SER 76 CO 0.08 0.29 0.03 -0.69 0.98 0.00 0.00 173.24 173.94 2fnb s VAL 77 N -0.81 -0.06 0.06 5.02 1.01 -0.30 -0.47 120.40 124.85 2fnb s VAL 77 Ca 0.13 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.37 2fnb s VAL 77 Cb -0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 2fnb s VAL 77 CO 0.03 0.10 -0.07 -0.51 0.00 0.00 0.00 175.10 174.65 2fnb s ILE 78 N 1.21 0.57 -0.23 2.22 -1.16 -0.44 -0.12 121.20 123.27 2fnb s ILE 78 Ca -0.07 -1.37 -0.07 0.00 -0.51 0.00 0.00 60.65 58.63 2fnb s ILE 78 Cb -0.13 -0.96 -0.03 0.00 0.61 0.00 0.00 42.46 41.95 2fnb s ILE 78 CO -0.03 -0.55 0.06 -0.89 -2.81 0.00 0.00 174.94 170.72 2fnb s THR 79 N -2.15 4.38 -0.10 4.00 2.01 -1.26 -1.12 115.64 121.40 2fnb s THR 79 Ca -0.03 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2fnb s THR 79 Cb -0.05 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 2fnb s THR 79 CO -0.01 0.38 -0.15 -1.48 -0.69 0.00 0.00 174.62 172.67 2fnb s LEU 80 N 1.26 2.66 0.45 4.42 2.34 -0.94 -3.12 118.68 125.74 2fnb s LEU 80 Ca 0.05 -0.31 0.03 0.00 0.06 0.00 0.00 54.13 53.95 2fnb s LEU 80 Cb -0.15 -1.57 -0.02 0.00 -0.56 0.00 0.00 46.19 43.89 2fnb s LEU 80 CO 0.03 0.22 0.08 0.27 -1.06 0.00 0.00 176.35 175.89 2fnb s ILE 81 N 0.03 0.81 -0.60 1.48 -4.36 -0.38 -1.26 121.20 116.94 2fnb s ILE 81 Ca -0.05 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.08 2fnb s ILE 81 Cb -0.15 -2.29 -0.15 0.00 1.25 0.00 0.00 42.46 41.13 2fnb s ILE 81 CO 0.04 0.00 1.82 -3.20 0.24 0.00 0.00 174.94 173.84 2fnb n ASN 82 N -1.30 0.33 -0.21 4.36 5.15 -0.72 -1.51 115.26 121.36 2fnb n ASN 82 Ca -0.11 0.26 -0.02 0.00 -0.60 0.00 0.00 54.58 54.11 2fnb n ASN 82 Cb 0.66 -0.66 -0.01 0.00 -0.53 0.00 0.00 39.78 39.23 2fnb n ASN 82 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2fnb n GLY 83 N 4.98 0.21 3.05 8.20 0.00 -1.26 -4.87 105.19 115.50 2fnb n GLY 83 Ca 0.45 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.31 2fnb n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fnb s GLY 84 N -1.57 0.51 0.16 -0.02 0.00 -0.57 -5.15 107.32 100.68 2fnb s GLY 84 Ca 0.00 -0.62 0.07 0.00 0.00 0.00 0.00 44.72 44.17 2fnb s GLY 84 CO 0.00 -0.63 -0.16 -0.54 0.00 0.00 0.00 173.10 171.77 2fnb s GLU 85 N -1.02 1.20 0.00 2.90 2.02 -1.26 -1.24 118.70 121.29 2fnb s GLU 85 Ca -0.03 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 53.58 2fnb s GLU 85 Cb -0.07 -1.14 0.00 0.00 0.10 0.00 0.00 34.13 33.02 2fnb s GLU 85 CO 0.00 0.22 0.00 0.43 0.02 0.00 0.00 175.26 175.93 2fnb n SER 86 N 0.26 0.75 -4.75 -0.19 7.64 -1.18 -4.54 113.62 111.61 2fnb n SER 86 Ca -0.13 -0.69 -0.40 0.00 1.01 0.00 0.00 58.87 58.67 2fnb n SER 86 Cb 0.58 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 2fnb n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fnb s ALA 87 N -2.00 3.39 0.12 -0.43 0.00 -1.26 -4.93 121.76 116.65 2fnb s ALA 87 Ca 0.00 0.23 -0.31 0.00 0.00 0.00 0.00 51.96 51.88 2fnb s ALA 87 Cb 0.00 -2.94 -0.09 0.00 0.00 0.00 0.00 23.12 20.09 2fnb s ALA 87 CO 0.00 0.08 1.60 -1.25 0.00 0.00 0.00 175.76 176.20 2fnb s PRO 88 N -0.08 4.21 -0.60 0.00 0.04 -1.26 -4.65 135.00 132.66 2fnb s PRO 88 Ca 0.37 2.34 -0.24 0.00 0.04 0.00 0.00 61.00 63.51 2fnb s PRO 88 Cb -0.20 -3.36 0.05 0.00 0.04 0.00 0.00 34.50 31.03 2fnb s PRO 88 CO 0.22 -0.66 0.97 0.99 0.04 0.00 0.00 177.00 178.56 2fnb s THR 89 N 1.84 4.32 -0.26 1.26 2.01 0.84 -4.90 115.64 120.74 2fnb s THR 89 Ca 0.72 0.10 -0.10 0.00 0.31 0.00 0.00 61.69 62.72 2fnb s THR 89 Cb -0.42 -4.61 -0.05 0.00 0.01 0.00 0.00 72.50 67.44 2fnb s THR 89 CO 0.32 -1.27 0.15 -0.89 -0.69 0.00 0.00 174.62 172.24 2fnb s THR 90 N 4.10 5.10 0.11 -0.82 2.01 -1.26 -1.15 115.64 123.73 2fnb s THR 90 Ca 0.28 0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.47 2fnb s THR 90 Cb -0.13 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 2fnb s THR 90 CO 0.16 0.30 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.41 2fnb s LEU 91 N 1.52 2.32 -0.02 4.42 1.43 -0.19 -4.98 118.68 123.18 2fnb s LEU 91 Ca 0.07 -0.71 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 2fnb s LEU 91 Cb -0.15 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.12 2fnb s LEU 91 CO 0.08 0.08 -0.09 -0.89 0.23 0.00 0.00 176.35 175.76 2fnb s THR 92 N -1.21 0.75 -0.18 5.49 2.01 -1.26 -0.93 115.64 120.31 2fnb s THR 92 Ca 0.09 -0.36 -0.23 0.00 0.31 0.00 0.00 61.69 61.50 2fnb s THR 92 Cb -0.10 -0.66 0.06 0.00 0.01 0.00 0.00 72.50 71.82 2fnb s THR 92 CO 0.05 0.23 0.61 -1.58 -0.69 0.00 0.00 174.62 173.24 2fnb s GLN 93 N 0.09 0.79 0.36 4.92 2.00 -1.05 -5.02 119.66 121.76 2fnb s GLN 93 Ca -0.01 0.68 -0.01 0.00 -2.00 0.00 0.00 55.36 54.01 2fnb s GLN 93 Cb -0.07 0.38 -0.03 0.00 0.80 0.00 0.00 33.01 34.08 2fnb s GLN 93 CO 0.00 -0.14 0.59 -1.14 -0.50 0.00 0.00 175.29 174.10 2fnb s GLN 94 N -0.08 3.50 0.00 1.67 0.74 -1.26 -1.53 119.66 122.70 2fnb s GLN 94 Ca -0.03 -0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.15 2fnb s GLN 94 Cb -0.04 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.46 2fnb s GLN 94 CO 0.03 0.09 0.00 0.25 -0.55 0.00 0.00 175.29 175.11