#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 -2.04 0.03 0.00 -1.26 -5.02 116.66 108.36 2fnb n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2fnb n ARG 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 2fnb n ARG 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2fnb n GLY 3 N 0.00 0.74 3.29 2.89 0.00 -1.26 -5.06 105.19 105.79 2fnb n GLY 3 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 2fnb n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fnb s SER 4 N -2.91 -0.34 0.00 1.61 0.01 -1.26 -5.13 113.70 105.67 2fnb s SER 4 Ca 0.00 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2fnb s SER 4 Cb 0.00 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2fnb s SER 4 CO 0.00 -0.30 0.00 1.21 0.41 0.00 0.00 173.24 174.56 2fnb n GLU 5 N 2.08 0.00 -3.77 12.44 2.13 -1.26 -5.08 120.64 127.19 2fnb n GLU 5 Ca -0.17 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.31 2fnb n GLU 5 Cb 0.57 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.22 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 1.43 5.31 -0.18 6.31 1.01 -1.26 -5.06 120.40 127.95 2fnb s VAL 6 Ca 0.00 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 2fnb s VAL 6 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 2fnb s VAL 6 CO 0.00 0.36 1.16 -2.16 0.00 0.00 0.00 175.10 174.46 2fnb s PRO 7 N -1.77 4.26 0.79 2.72 0.04 -1.26 -4.73 135.00 135.05 2fnb s PRO 7 Ca 0.27 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 2fnb s PRO 7 Cb -0.13 -3.70 0.08 0.00 0.04 0.00 0.00 34.50 30.79 2fnb s PRO 7 CO 0.16 -0.65 1.15 1.14 0.04 0.00 0.00 177.00 178.85 2fnb s GLN 8 N 3.26 2.02 -1.18 4.56 -2.07 -1.26 -4.81 119.66 120.17 2fnb s GLN 8 Ca 0.50 0.06 -0.22 0.00 -1.82 0.00 0.00 55.36 53.88 2fnb s GLN 8 Cb -0.19 -1.99 -0.09 0.00 -1.09 0.00 0.00 33.01 29.66 2fnb s GLN 8 CO 0.12 -1.53 1.93 1.28 -1.32 0.00 0.00 175.29 175.76 2fnb n LEU 9 N -3.25 3.18 0.13 2.60 4.77 -1.26 -4.76 117.00 118.40 2fnb n LEU 9 Ca 0.08 -3.20 0.11 0.00 -0.03 0.00 0.00 56.01 52.96 2fnb n LEU 9 Cb 0.61 -1.72 0.49 0.00 -2.33 0.00 0.00 43.42 40.46 2fnb n LEU 9 CO 0.56 -1.71 0.82 0.41 -1.33 0.00 0.00 177.39 176.14 2fnb n THR 10 N 7.69 0.98 -1.21 -5.08 -1.04 -1.26 -1.76 114.28 112.61 2fnb n THR 10 Ca 0.45 0.43 0.04 0.00 -2.04 0.00 0.00 64.05 62.93 2fnb n THR 10 Cb 0.46 -1.38 0.22 0.00 -1.82 0.00 0.00 70.33 67.81 2fnb n THR 10 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2fnb n ASP 11 N -2.16 3.03 -4.68 8.00 2.03 -1.26 -5.02 116.55 116.49 2fnb n ASP 11 Ca 0.01 -3.36 -0.45 0.00 0.52 0.00 0.00 54.79 51.50 2fnb n ASP 11 Cb 0.14 -0.56 -0.04 0.00 -0.72 0.00 0.00 41.12 39.94 2fnb n ASP 11 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2fnb n LEU 12 N -0.91 3.44 -3.94 -2.67 -0.00 -0.72 -4.24 117.00 107.95 2fnb n LEU 12 Ca 0.25 1.04 -0.10 0.00 -0.00 0.00 0.00 56.01 57.21 2fnb n LEU 12 Cb 0.91 -1.45 -0.07 0.00 -0.00 0.00 0.00 43.42 42.81 2fnb n LEU 12 CO 0.14 -0.11 0.00 -0.44 -0.00 0.00 0.00 177.39 176.99 2fnb s SER 13 N 1.94 0.02 0.18 1.96 0.01 0.02 -5.01 113.70 112.82 2fnb s SER 13 Ca 0.82 -0.84 0.08 0.00 1.31 0.00 0.00 55.95 57.32 2fnb s SER 13 Cb -0.63 0.44 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 2fnb s SER 13 CO 0.40 -0.90 -0.03 -0.36 0.41 0.00 0.00 173.24 172.76 2fnb s PHE 14 N -3.96 2.77 0.29 2.43 0.08 -1.26 -0.79 117.98 117.55 2fnb s PHE 14 Ca 0.16 -0.17 -0.03 0.00 0.12 0.00 0.00 56.93 57.02 2fnb s PHE 14 Cb 0.03 -1.34 -0.01 0.00 -0.57 0.00 0.00 43.02 41.13 2fnb s PHE 14 CO -0.00 0.52 0.37 0.14 -0.10 0.00 0.00 175.22 176.15 2fnb s VAL 15 N -1.75 0.00 -1.32 -0.44 -7.23 -0.25 -4.83 120.40 104.59 2fnb s VAL 15 Ca 0.27 -1.70 -0.03 0.00 -1.81 0.00 0.00 61.98 58.70 2fnb s VAL 15 Cb -0.09 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.37 2fnb s VAL 15 CO 0.18 0.00 0.89 0.47 -0.31 0.00 0.00 175.10 176.33 2fnb n ASP 16 N -0.96 -2.66 -3.58 4.85 8.00 -1.26 -0.65 116.55 120.28 2fnb n ASP 16 Ca 0.02 -0.72 -0.41 0.00 0.71 0.00 0.00 54.79 54.39 2fnb n ASP 16 Cb 0.63 -4.46 -0.01 0.00 -0.02 0.00 0.00 41.12 37.25 2fnb n ASP 16 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2fnb n ILE 17 N -4.40 3.75 -0.84 0.53 5.41 -1.26 -2.97 119.36 119.58 2fnb n ILE 17 Ca -0.20 -2.85 -0.30 0.00 1.00 0.00 0.00 62.75 60.40 2fnb n ILE 17 Cb 0.64 -2.61 0.25 0.00 -0.71 0.00 0.00 39.64 37.21 2fnb n ILE 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2fnb s THR 18 N 2.85 1.54 -1.60 1.39 -4.23 -1.07 -4.94 115.64 109.58 2fnb s THR 18 Ca 0.55 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 61.28 2fnb s THR 18 Cb 0.15 -2.34 0.45 0.00 1.34 0.00 0.00 72.50 72.11 2fnb s THR 18 CO -0.08 0.00 1.69 -0.90 -0.54 0.00 0.00 174.62 174.79 2fnb n ASP 19 N -5.00 0.00 0.00 3.99 5.75 -1.26 -4.31 116.55 115.72 2fnb n ASP 19 Ca 0.12 -0.22 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 2fnb n ASP 19 Cb 0.59 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 2fnb n ASP 19 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2fnb n SER 20 N -1.20 1.91 -3.63 -1.12 3.41 -1.26 -4.62 113.62 107.11 2fnb n SER 20 Ca 0.12 -0.17 -0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2fnb n SER 20 Cb 0.14 0.73 -0.01 0.00 -0.26 0.00 0.00 64.21 64.81 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 -1.11 -0.09 -0.06 4.04 1.04 -1.26 -4.25 113.70 112.01 2fnb s SER 21 Ca 0.00 -0.14 -0.00 0.00 0.48 0.00 0.00 55.95 56.29 2fnb s SER 21 Cb 0.00 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.35 2fnb s SER 21 CO 0.00 -0.37 -0.02 -0.51 0.98 0.00 0.00 173.24 173.31 2fnb s ILE 22 N -2.55 0.49 0.65 -1.02 2.07 -0.12 -2.59 121.20 118.13 2fnb s ILE 22 Ca 0.13 -0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.24 2fnb s ILE 22 Cb 0.03 -0.58 -0.02 0.00 0.13 0.00 0.00 42.46 42.02 2fnb s ILE 22 CO -0.03 0.25 1.05 -0.83 -1.91 0.00 0.00 174.94 173.47 2fnb s GLY 23 N 1.50 1.65 0.14 1.50 0.00 0.17 -0.69 107.32 111.59 2fnb s GLY 23 Ca -0.02 -0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.59 2fnb s GLY 23 CO -0.03 0.16 -0.07 1.08 0.00 0.00 0.00 173.10 174.24 2fnb s LEU 24 N -5.27 2.44 0.02 0.66 1.02 0.44 -1.09 118.68 116.90 2fnb s LEU 24 Ca 0.56 -1.05 0.01 0.00 0.02 0.00 0.00 54.13 53.67 2fnb s LEU 24 Cb -0.11 -0.21 -0.02 0.00 0.02 0.00 0.00 46.19 45.87 2fnb s LEU 24 CO 0.54 -0.42 -0.04 0.00 0.02 0.00 0.00 176.35 176.44 2fnb s ARG 25 N -3.81 0.33 0.30 1.70 1.70 0.03 -3.52 118.95 115.68 2fnb s ARG 25 Ca 0.17 -0.53 -0.17 0.00 -0.47 0.00 0.00 55.73 54.73 2fnb s ARG 25 Cb 0.04 -0.05 0.02 0.00 -0.57 0.00 0.00 34.95 34.39 2fnb s ARG 25 CO -0.00 -0.00 0.66 1.67 -1.08 0.00 0.00 175.30 176.54 2fnb s TRP 26 N -1.13 0.10 -0.54 5.89 -2.14 -1.25 -0.80 118.94 119.07 2fnb s TRP 26 Ca -0.11 -0.57 -0.28 0.00 2.66 0.00 0.00 56.10 57.80 2fnb s TRP 26 Cb -0.08 0.55 0.03 0.00 -3.10 0.00 0.00 33.47 30.87 2fnb s TRP 26 CO -0.00 -1.24 1.23 0.99 -2.66 0.00 0.00 176.95 175.26 2fnb s THR 27 N -3.54 4.01 0.27 0.66 2.01 -1.26 -4.62 115.64 113.17 2fnb s THR 27 Ca 0.16 0.94 -0.30 0.00 0.31 0.00 0.00 61.69 62.80 2fnb s THR 27 Cb -0.04 -4.63 -0.11 0.00 0.01 0.00 0.00 72.50 67.73 2fnb s THR 27 CO 0.09 -1.21 1.62 -2.16 -0.69 0.00 0.00 174.62 172.27 2fnb s PRO 28 N 4.93 4.13 -0.11 4.92 0.04 -1.26 -5.00 135.00 142.65 2fnb s PRO 28 Ca 0.47 2.57 -0.14 0.00 0.04 0.00 0.00 61.00 63.94 2fnb s PRO 28 Cb -0.08 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 2fnb s PRO 28 CO 0.27 -0.65 0.34 -0.51 0.04 0.00 0.00 177.00 176.49 2fnb s LEU 29 N -0.09 4.32 -0.26 -3.56 1.02 -1.26 -4.99 118.68 113.86 2fnb s LEU 29 Ca 0.66 0.68 0.09 0.00 0.02 0.00 0.00 54.13 55.58 2fnb s LEU 29 Cb -0.48 -2.46 0.45 0.00 0.02 0.00 0.00 46.19 43.72 2fnb s LEU 29 CO 0.44 0.17 1.20 0.59 0.02 0.00 0.00 176.35 178.76 2fnb n ASN 30 N 2.99 3.73 -4.56 2.29 4.13 -1.26 -4.39 115.26 118.19 2fnb n ASN 30 Ca -0.12 -3.69 -0.41 0.00 1.68 0.00 0.00 54.58 52.04 2fnb n ASN 30 Cb 0.52 -0.40 -0.03 0.00 -1.54 0.00 0.00 39.78 38.33 2fnb n ASN 30 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2fnb s SER 31 N -3.47 6.21 -0.94 6.41 0.01 -1.26 -4.95 113.70 115.72 2fnb s SER 31 Ca 0.46 -0.27 -0.26 0.00 1.31 0.00 0.00 55.95 57.19 2fnb s SER 31 Cb 0.39 -2.56 -0.20 0.00 0.21 0.00 0.00 66.02 63.87 2fnb s SER 31 CO -0.00 -1.76 2.22 -1.54 0.41 0.00 0.00 173.24 172.56 2fnb n SER 32 N 9.24 1.39 0.00 2.44 3.41 -1.26 -0.68 113.62 128.17 2fnb n SER 32 Ca 0.05 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 2fnb n SER 32 Cb 0.49 -1.66 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 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 8.83 0.00 -0.80 6.66 5.66 -1.26 -5.12 114.28 128.26 2fnb n THR 33 Ca 0.43 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 61.12 2fnb n THR 33 Cb 0.45 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 69.38 2fnb n THR 33 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2fnb s ILE 34 N 0.00 2.29 0.00 1.09 -1.16 0.15 -1.26 121.20 122.31 2fnb s ILE 34 Ca 0.00 0.10 0.00 0.00 -0.51 0.00 0.00 60.65 60.24 2fnb s ILE 34 Cb 0.00 -2.21 0.00 0.00 0.61 0.00 0.00 42.46 40.86 2fnb s ILE 34 CO 0.00 -0.12 0.00 -0.38 -2.81 0.00 0.00 174.94 171.63 2fnb n ILE 35 N -4.12 0.00 -1.84 2.00 -0.00 -1.25 -4.77 119.36 109.38 2fnb n ILE 35 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.86 2fnb n ILE 35 Cb 0.52 -1.15 0.00 0.00 -0.00 0.00 0.00 39.64 39.02 2fnb n ILE 35 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2fnb n GLY 36 N 3.00 -0.60 2.83 7.39 0.00 -1.25 -4.25 105.19 112.32 2fnb n GLY 36 Ca 0.00 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.47 0.40 -0.32 1.61 2.02 -1.26 -2.64 117.35 113.69 2fnb s TYR 37 Ca 0.00 -0.04 -0.12 0.00 -0.37 0.00 0.00 57.07 56.54 2fnb s TYR 37 Cb 0.00 -0.46 -0.03 0.00 -0.40 0.00 0.00 41.96 41.07 2fnb s TYR 37 CO 0.00 -0.14 0.21 0.50 -1.57 0.00 0.00 175.55 174.55 2fnb s ARG 38 N 1.01 3.61 0.27 -0.62 3.00 -0.24 -3.10 118.95 122.87 2fnb s ARG 38 Ca -0.10 -0.56 -0.11 0.00 -1.00 0.00 0.00 55.73 53.96 2fnb s ARG 38 Cb -0.14 -3.73 -0.08 0.00 0.00 0.00 0.00 34.95 31.01 2fnb s ARG 38 CO -0.01 -0.36 0.61 0.42 0.00 0.00 0.00 175.30 175.96 2fnb s ILE 39 N 1.72 4.86 -0.01 4.11 1.09 0.28 -0.75 121.20 132.50 2fnb s ILE 39 Ca 0.06 0.59 -0.09 0.00 -1.10 0.00 0.00 60.65 60.11 2fnb s ILE 39 Cb -0.17 -3.63 0.01 0.00 -1.06 0.00 0.00 42.46 37.61 2fnb s ILE 39 CO 0.10 -0.14 0.20 -0.89 -0.10 0.00 0.00 174.94 174.10 2fnb s THR 40 N -1.91 0.06 -0.02 2.92 2.01 0.14 -0.86 115.64 117.98 2fnb s THR 40 Ca 0.49 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.97 2fnb s THR 40 Cb -0.11 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 71.95 2fnb s THR 40 CO 0.21 -0.29 -0.02 0.68 -0.69 0.00 0.00 174.62 174.51 2fnb s VAL 41 N -1.14 0.30 0.16 3.82 -7.23 -0.36 -0.19 120.40 115.76 2fnb s VAL 41 Ca -0.12 -0.05 0.01 0.00 -1.81 0.00 0.00 61.98 60.00 2fnb s VAL 41 Cb -0.06 -0.32 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 2fnb s VAL 41 CO 0.02 0.14 0.02 0.68 -0.31 0.00 0.00 175.10 175.65 2fnb s VAL 42 N 0.56 0.50 -0.24 1.32 -7.23 -1.22 -1.49 120.40 112.60 2fnb s VAL 42 Ca -0.06 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 57.87 2fnb s VAL 42 Cb -0.09 -2.09 0.01 0.00 0.56 0.00 0.00 36.38 34.77 2fnb s VAL 42 CO -0.01 -0.48 1.03 0.00 -0.31 0.00 0.00 175.10 175.33 2fnb s ALA 43 N -3.78 3.68 -0.30 1.32 0.00 -0.50 -1.59 121.76 120.59 2fnb s ALA 43 Ca 0.24 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2fnb s ALA 43 Cb 0.07 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2fnb s ALA 43 CO 0.03 -1.07 0.00 0.00 0.00 0.00 0.00 175.76 174.73 2fnb n ALA 44 N 6.33 -0.04 -1.80 0.00 0.00 0.21 -0.38 120.51 124.82 2fnb n ALA 44 Ca 0.12 0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.42 2fnb n ALA 44 Cb 0.46 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 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 0.06 1.03 0.00 0.00 0.00 -1.26 -4.86 105.19 100.16 2fnb n GLY 45 Ca -0.03 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.56 0.54 0.00 1.61 4.07 0.49 -4.85 120.64 119.94 2fnb n GLU 46 Ca -0.19 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.91 2fnb n GLU 46 Cb 0.61 -1.27 0.00 0.00 -0.06 0.00 0.00 31.44 30.72 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 0.06 2.13 3.42 8.31 0.00 -1.26 -4.99 105.19 112.86 2fnb n GLY 47 Ca 0.07 -0.34 -0.48 0.00 0.00 0.00 0.00 46.02 45.27 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 0.03 -2.84 -0.61 5.41 -1.26 -4.93 119.36 115.15 2fnb n ILE 48 Ca 0.00 -0.15 -0.35 0.00 1.00 0.00 0.00 62.75 63.26 2fnb n ILE 48 Cb 0.00 -1.00 -0.07 0.00 -0.71 0.00 0.00 39.64 37.86 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 7.48 4.34 0.00 0.38 0.04 -1.26 -1.41 135.00 144.58 2fnb s PRO 49 Ca 1.22 1.15 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2fnb s PRO 49 Cb -1.12 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 30.95 2fnb s PRO 49 CO 0.51 0.12 0.00 -0.89 0.04 0.00 0.00 177.00 176.78 2fnb n ILE 50 N -0.10 0.00 -3.97 0.56 -0.00 -0.55 -4.82 119.36 110.47 2fnb n ILE 50 Ca 0.04 0.16 -0.09 0.00 -0.00 0.00 0.00 62.75 62.86 2fnb n ILE 50 Cb 0.52 -1.13 -0.04 0.00 -0.00 0.00 0.00 39.64 38.99 2fnb n ILE 50 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.55 177.27 2fnb s PHE 51 N -0.36 0.34 0.17 1.39 -0.71 -0.89 -5.02 117.98 112.90 2fnb s PHE 51 Ca 0.00 -0.73 0.10 0.00 -1.04 0.00 0.00 56.93 55.26 2fnb s PHE 51 Cb 0.00 0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 42.05 2fnb s PHE 51 CO 0.00 -1.09 -0.18 -1.83 -1.34 0.00 0.00 175.22 170.78 2fnb s GLU 52 N -3.75 1.75 0.16 1.99 4.04 -1.26 -1.22 118.70 120.41 2fnb s GLU 52 Ca 0.21 -1.35 -0.07 0.00 0.04 0.00 0.00 54.97 53.81 2fnb s GLU 52 Cb -0.02 -2.02 -0.02 0.00 0.02 0.00 0.00 34.13 32.10 2fnb s GLU 52 CO 0.10 0.43 0.24 0.34 -1.84 0.00 0.00 175.26 174.53 2fnb s ASP 53 N -2.55 0.09 0.08 0.83 -1.08 -0.04 -4.96 116.67 109.05 2fnb s ASP 53 Ca 0.21 -0.97 0.00 0.00 -0.52 0.00 0.00 52.55 51.27 2fnb s ASP 53 Cb -0.09 0.41 -0.04 0.00 -1.46 0.00 0.00 42.92 41.74 2fnb s ASP 53 CO 0.11 -0.87 -0.03 -0.36 0.52 0.00 0.00 175.17 174.54 2fnb s PHE 54 N -4.00 0.71 0.36 -5.34 0.08 -1.26 -0.55 117.98 107.98 2fnb s PHE 54 Ca 0.20 -1.02 0.02 0.00 0.12 0.00 0.00 56.93 56.24 2fnb s PHE 54 Cb 0.04 -0.46 -0.01 0.00 -0.57 0.00 0.00 43.02 42.03 2fnb s PHE 54 CO 0.01 -0.30 0.05 1.33 -0.10 0.00 0.00 175.22 176.22 2fnb n VAL 55 N 0.02 0.00 0.09 -0.44 0.24 -1.18 -4.94 118.33 112.12 2fnb n VAL 55 Ca -0.12 -1.85 -0.03 0.00 -2.04 0.00 0.00 64.34 60.29 2fnb n VAL 55 Cb 0.61 0.51 -0.02 0.00 -1.47 0.00 0.00 33.84 33.48 2fnb n VAL 55 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2fnb h ASP 56 N 1.10 -0.19 0.00 -1.34 1.82 -1.91 -3.42 116.42 112.47 2fnb h ASP 56 Ca -0.29 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 2fnb h ASP 56 Cb 0.96 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.03 2fnb h ASP 56 CO 0.47 -0.14 0.00 -0.24 -1.61 0.00 0.00 179.24 177.72 2fnb n SER 57 N -2.62 0.00 -2.64 2.28 2.88 -1.26 -4.73 113.62 107.54 2fnb n SER 57 Ca -0.03 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.40 2fnb n SER 57 Cb 0.09 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.58 2fnb n SER 57 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2fnb n SER 58 N 0.00 2.07 -4.69 -3.46 3.41 -1.26 -4.48 113.62 105.21 2fnb n SER 58 Ca 0.00 -2.78 -0.42 0.00 -0.26 0.00 0.00 58.87 55.40 2fnb n SER 58 Cb 0.00 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.42 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 -3.64 4.14 -2.20 -3.33 1.01 -1.26 -4.82 120.40 110.30 2fnb s VAL 59 Ca 0.31 1.47 0.19 0.00 0.00 0.00 0.00 61.98 63.95 2fnb s VAL 59 Cb 0.43 -3.94 0.11 0.00 0.00 0.00 0.00 36.38 32.98 2fnb s VAL 59 CO -0.01 -0.01 1.06 0.61 0.00 0.00 0.00 175.10 176.75 2fnb n GLY 60 N 3.45 0.36 3.59 4.51 0.00 -1.26 -4.34 105.19 111.50 2fnb n GLY 60 Ca 0.12 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.69 -0.93 0.17 1.61 5.04 -1.26 -3.87 117.35 116.41 2fnb s TYR 61 Ca 0.20 1.97 0.01 0.00 -2.44 0.00 0.00 57.07 56.82 2fnb s TYR 61 Cb 0.15 0.49 -0.05 0.00 0.35 0.00 0.00 41.96 42.91 2fnb s TYR 61 CO 0.29 -0.46 0.01 -0.47 -1.34 0.00 0.00 175.55 173.57 2fnb s TYR 62 N 1.24 1.17 -0.01 4.97 5.04 -1.23 -5.01 117.35 123.53 2fnb s TYR 62 Ca -0.07 -1.05 -0.04 0.00 -2.44 0.00 0.00 57.07 53.47 2fnb s TYR 62 Cb -0.05 -0.67 -0.00 0.00 0.35 0.00 0.00 41.96 41.59 2fnb s TYR 62 CO -0.13 -0.25 0.08 0.99 -1.34 0.00 0.00 175.55 174.89 2fnb s THR 63 N -3.71 0.06 0.01 4.34 2.01 -1.26 -0.42 115.64 116.66 2fnb s THR 63 Ca 0.24 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.82 2fnb s THR 63 Cb 0.06 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.27 2fnb s THR 63 CO 0.04 -0.25 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.96 2fnb s VAL 64 N -0.80 3.65 0.37 3.82 1.01 0.13 -4.96 120.40 123.62 2fnb s VAL 64 Ca -0.09 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2fnb s VAL 64 Cb -0.05 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 2fnb s VAL 64 CO 0.00 0.37 0.10 0.41 0.00 0.00 0.00 175.10 175.99 2fnb n THR 65 N 1.49 0.00 -1.06 3.92 -1.04 -1.26 -0.95 114.28 115.38 2fnb n THR 65 Ca -0.15 -2.05 -0.02 0.00 -2.04 0.00 0.00 64.05 59.79 2fnb n THR 65 Cb 0.52 0.66 -0.01 0.00 -1.82 0.00 0.00 70.33 69.69 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 -0.32 0.51 3.72 3.41 0.00 -1.26 -5.00 105.19 106.24 2fnb n GLY 66 Ca -0.08 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.45 2.19 -0.25 0.99 1.43 -1.26 -5.07 118.68 116.26 2fnb s LEU 67 Ca 0.00 1.44 -0.01 0.00 -1.03 0.00 0.00 54.13 54.53 2fnb s LEU 67 Cb 0.00 -3.84 0.08 0.00 0.03 0.00 0.00 46.19 42.46 2fnb s LEU 67 CO 0.00 -2.67 0.05 -0.70 0.23 0.00 0.00 176.35 173.26 2fnb s GLU 68 N -4.95 0.83 0.60 1.70 -6.30 -1.26 -4.94 118.70 104.38 2fnb s GLU 68 Ca 0.64 -0.80 -0.17 0.00 -2.50 0.00 0.00 54.97 52.13 2fnb s GLU 68 Cb -0.18 -2.13 -0.03 0.00 0.00 0.00 0.00 34.13 31.78 2fnb s GLU 68 CO 0.57 -0.79 1.10 -1.25 0.02 0.00 0.00 175.26 174.91 2fnb s PRO 69 N 1.68 3.15 0.00 4.30 0.04 -1.26 -4.13 135.00 138.78 2fnb s PRO 69 Ca 0.03 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2fnb s PRO 69 Cb -0.17 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2fnb s PRO 69 CO -0.15 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 176.32 2fnb n GLY 70 N -0.36 3.56 3.91 0.56 0.00 -1.26 -5.02 105.19 106.59 2fnb n GLY 70 Ca 0.10 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 3.43 -0.13 -0.61 1.09 -1.26 -4.76 121.20 118.97 2fnb s ILE 71 Ca 0.00 0.12 -0.07 0.00 -1.10 0.00 0.00 60.65 59.61 2fnb s ILE 71 Cb 0.00 -3.41 -0.04 0.00 -1.06 0.00 0.00 42.46 37.95 2fnb s ILE 71 CO 0.00 -0.46 0.11 -0.62 -0.10 0.00 0.00 174.94 173.87 2fnb s ASP 72 N -4.35 6.14 0.01 3.58 2.15 -1.26 -3.26 116.67 119.67 2fnb s ASP 72 Ca 0.56 0.36 0.03 0.00 0.43 0.00 0.00 52.55 53.93 2fnb s ASP 72 Cb -0.11 -1.97 -0.01 0.00 -0.30 0.00 0.00 42.92 40.53 2fnb s ASP 72 CO 0.47 0.36 -0.08 -0.31 -0.17 0.00 0.00 175.17 175.44 2fnb s TYR 73 N -0.75 0.75 -0.68 -5.34 1.51 0.26 -0.62 117.35 112.48 2fnb s TYR 73 Ca 0.13 -0.22 -0.05 0.00 -1.01 0.00 0.00 57.07 55.93 2fnb s TYR 73 Cb -0.12 -0.47 0.17 0.00 -0.11 0.00 0.00 41.96 41.44 2fnb s TYR 73 CO 0.03 -0.02 0.51 -0.51 -1.11 0.00 0.00 175.55 174.46 2fnb s ASP 74 N -0.54 5.52 -0.42 2.29 1.11 -0.62 -1.38 116.67 122.63 2fnb s ASP 74 Ca 0.01 -2.89 -0.26 0.00 0.18 0.00 0.00 52.55 49.59 2fnb s ASP 74 Cb -0.05 -1.92 0.02 0.00 1.07 0.00 0.00 42.92 42.05 2fnb s ASP 74 CO 0.00 -0.39 0.95 -0.63 1.18 0.00 0.00 175.17 176.28 2fnb s ILE 75 N -0.12 4.49 -0.18 0.77 1.09 -0.47 -3.44 121.20 123.33 2fnb s ILE 75 Ca 0.18 1.00 -0.03 0.00 -1.10 0.00 0.00 60.65 60.70 2fnb s ILE 75 Cb -0.18 -4.41 -0.02 0.00 -1.06 0.00 0.00 42.46 36.79 2fnb s ILE 75 CO -0.05 -0.73 -0.06 -0.44 -0.10 0.00 0.00 174.94 173.56 2fnb s SER 76 N 2.12 4.41 -0.26 3.58 0.01 0.73 -1.83 113.70 122.46 2fnb s SER 76 Ca 0.39 -0.28 -0.02 0.00 1.31 0.00 0.00 55.95 57.34 2fnb s SER 76 Cb -0.10 -1.73 0.09 0.00 0.21 0.00 0.00 66.02 64.48 2fnb s SER 76 CO 0.24 0.09 0.08 -0.69 0.41 0.00 0.00 173.24 173.37 2fnb s VAL 77 N 0.83 0.57 0.24 3.43 1.01 0.69 0.27 120.40 127.44 2fnb s VAL 77 Ca -0.02 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 2fnb s VAL 77 Cb -0.15 -1.30 -0.09 0.00 0.00 0.00 0.00 36.38 34.84 2fnb s VAL 77 CO 0.01 -0.51 0.77 -0.63 0.00 0.00 0.00 175.10 174.74 2fnb s ILE 78 N 1.80 4.49 -0.16 2.22 1.01 0.07 -2.63 121.20 128.01 2fnb s ILE 78 Ca 0.06 1.40 -0.06 0.00 0.00 0.00 0.00 60.65 62.05 2fnb s ILE 78 Cb -0.17 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2fnb s ILE 78 CO -0.21 0.20 0.03 -0.89 0.00 0.00 0.00 174.94 174.07 2fnb s THR 79 N -1.53 4.48 0.07 2.92 2.01 -1.26 -1.08 115.64 121.25 2fnb s THR 79 Ca 0.44 -0.15 0.05 0.00 0.31 0.00 0.00 61.69 62.34 2fnb s THR 79 Cb -0.17 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 2fnb s THR 79 CO 0.22 0.49 -0.14 -1.48 -0.69 0.00 0.00 174.62 173.01 2fnb s LEU 80 N 0.21 2.28 0.00 4.42 2.34 -1.08 -0.96 118.68 125.89 2fnb s LEU 80 Ca 0.02 -0.62 0.06 0.00 0.06 0.00 0.00 54.13 53.65 2fnb s LEU 80 Cb -0.13 -0.51 -0.02 0.00 -0.56 0.00 0.00 46.19 44.97 2fnb s LEU 80 CO 0.01 -0.08 0.23 2.30 -1.06 0.00 0.00 176.35 177.75 2fnb n ILE 81 N 1.25 0.00 -1.21 1.48 -5.35 -0.91 -3.80 119.36 110.82 2fnb n ILE 81 Ca -0.21 -2.49 -0.50 0.00 -0.27 0.00 0.00 62.75 59.28 2fnb n ILE 81 Cb 0.54 1.08 -0.08 0.00 -1.74 0.00 0.00 39.64 39.45 2fnb n ILE 81 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2fnb n ASN 82 N -1.58 0.81 -4.23 7.28 5.15 -0.39 -1.35 115.26 120.94 2fnb n ASN 82 Ca 0.02 0.78 -0.32 0.00 -0.60 0.00 0.00 54.58 54.45 2fnb n ASN 82 Cb 0.63 -0.67 -0.09 0.00 -0.53 0.00 0.00 39.78 39.12 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 3.90 -0.19 3.47 8.20 0.00 -1.26 -4.86 105.19 114.44 2fnb n GLY 83 Ca 0.29 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.93 -0.60 -0.17 -0.02 0.00 -0.46 -5.16 107.32 96.98 2fnb s GLY 84 Ca 0.23 0.88 -0.09 0.00 0.00 0.00 0.00 44.72 45.74 2fnb s GLY 84 CO 0.94 0.53 0.41 1.85 0.00 0.00 0.00 173.10 176.82 2fnb s GLU 85 N -2.58 0.37 0.75 2.90 2.12 -1.26 -2.15 118.70 118.85 2fnb s GLU 85 Ca -0.04 0.83 -0.08 0.00 0.36 0.00 0.00 54.97 56.04 2fnb s GLU 85 Cb -0.01 0.04 0.16 0.00 0.26 0.00 0.00 34.13 34.59 2fnb s GLU 85 CO -0.03 -0.18 1.02 0.43 -0.54 0.00 0.00 175.26 175.96 2fnb n SER 86 N 4.49 0.55 -4.75 -1.70 7.64 -0.13 -4.73 113.62 114.99 2fnb n SER 86 Ca -0.20 -1.65 -0.41 0.00 1.01 0.00 0.00 58.87 57.62 2fnb n SER 86 Cb 0.54 -0.73 0.01 0.00 -1.01 0.00 0.00 64.21 63.02 2fnb n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fnb n ALA 87 N -3.39 1.91 -2.06 -0.43 0.00 -1.26 -4.66 120.51 110.63 2fnb n ALA 87 Ca -0.17 0.28 -0.39 0.00 0.00 0.00 0.00 53.44 53.17 2fnb n ALA 87 Cb 0.50 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 2fnb n ALA 87 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2fnb s PRO 88 N -2.27 2.67 -0.12 0.00 0.04 -1.26 -4.44 135.00 129.62 2fnb s PRO 88 Ca 0.59 0.60 -0.26 0.00 0.04 0.00 0.00 61.00 61.96 2fnb s PRO 88 Cb -0.48 -4.37 -0.02 0.00 0.04 0.00 0.00 34.50 29.67 2fnb s PRO 88 CO 0.60 -2.68 0.85 0.99 0.04 0.00 0.00 177.00 176.80 2fnb s THR 89 N 8.86 4.90 0.16 1.26 2.01 -1.08 -4.91 115.64 126.84 2fnb s THR 89 Ca 0.66 1.71 0.08 0.00 0.31 0.00 0.00 61.69 64.46 2fnb s THR 89 Cb -0.13 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 2fnb s THR 89 CO 0.21 0.08 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.15 2fnb s THR 90 N 1.73 1.79 -0.00 -0.82 2.01 -1.26 -0.22 115.64 118.87 2fnb s THR 90 Ca 0.41 -1.92 -0.00 0.00 0.31 0.00 0.00 61.69 60.49 2fnb s THR 90 Cb -0.18 -1.83 -0.00 0.00 0.01 0.00 0.00 72.50 70.50 2fnb s THR 90 CO 0.16 -0.33 0.01 -0.76 -0.69 0.00 0.00 174.62 173.01 2fnb s LEU 91 N -2.68 2.00 0.39 4.42 1.43 -0.76 -4.99 118.68 118.49 2fnb s LEU 91 Ca 0.16 -0.06 -0.24 0.00 -1.03 0.00 0.00 54.13 52.96 2fnb s LEU 91 Cb -0.05 0.05 -0.10 0.00 0.03 0.00 0.00 46.19 46.12 2fnb s LEU 91 CO 0.06 -0.05 1.00 -0.89 0.23 0.00 0.00 176.35 176.70 2fnb s THR 92 N -0.23 4.01 0.06 5.49 2.01 -1.26 -1.37 115.64 124.35 2fnb s THR 92 Ca -0.03 1.48 0.00 0.00 0.31 0.00 0.00 61.69 63.45 2fnb s THR 92 Cb -0.02 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2fnb s THR 92 CO -0.00 -0.05 -0.04 -1.10 -0.69 0.00 0.00 174.62 172.73 2fnb s GLN 93 N -2.60 0.62 0.03 4.92 -1.52 -0.48 -4.94 119.66 115.70 2fnb s GLN 93 Ca 0.58 -1.13 0.07 0.00 -1.95 0.00 0.00 55.36 52.92 2fnb s GLN 93 Cb -0.18 0.06 -0.02 0.00 -0.22 0.00 0.00 33.01 32.65 2fnb s GLN 93 CO 0.23 -0.07 -0.19 -1.14 -0.25 0.00 0.00 175.29 173.86 2fnb s GLN 94 N -3.40 1.34 0.00 2.91 0.74 -1.26 -0.57 119.66 119.42 2fnb s GLN 94 Ca 0.04 -0.87 0.00 0.00 0.05 0.00 0.00 55.36 54.58 2fnb s GLN 94 Cb 0.04 -1.42 0.00 0.00 1.10 0.00 0.00 33.01 32.73 2fnb s GLN 94 CO -0.07 0.36 0.00 0.25 -0.55 0.00 0.00 175.29 175.29