#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fnb s ARG 2 N 0.00 0.79 3.60 3.17 1.70 -1.26 -5.04 118.95 121.91 2fnb s ARG 2 Ca 0.00 -0.35 0.00 0.00 -0.47 0.00 0.00 55.73 54.91 2fnb s ARG 2 Cb 0.00 -1.89 0.00 0.00 -0.57 0.00 0.00 34.95 32.49 2fnb s ARG 2 CO 0.00 -0.54 0.00 0.41 -1.08 0.00 0.00 175.30 174.09 2fnb n GLY 3 N 5.03 1.57 3.23 3.88 0.00 -1.26 -4.29 105.19 113.35 2fnb n GLY 3 Ca -0.09 0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 2fnb n GLY 3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fnb s SER 4 N -4.00 1.31 0.00 1.61 1.04 -1.26 -5.12 113.70 107.29 2fnb s SER 4 Ca 0.00 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2fnb s SER 4 Cb 0.00 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2fnb s SER 4 CO 0.00 -0.51 0.00 1.21 0.98 0.00 0.00 173.24 174.92 2fnb n GLU 5 N -0.20 0.00 -2.26 4.02 2.13 -1.26 -5.06 120.64 118.01 2fnb n GLU 5 Ca -0.08 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.32 2fnb n GLU 5 Cb 0.62 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.30 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 -0.23 3.34 0.22 6.31 1.01 -1.26 -4.97 120.40 124.83 2fnb s VAL 6 Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 2fnb s VAL 6 Cb 0.00 -3.69 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 2fnb s VAL 6 CO 0.00 0.15 1.37 -2.16 0.00 0.00 0.00 175.10 174.46 2fnb s PRO 7 N 0.03 4.33 0.28 2.72 0.04 -1.26 -4.25 135.00 136.89 2fnb s PRO 7 Ca 0.57 2.17 0.09 0.00 0.04 0.00 0.00 61.00 63.87 2fnb s PRO 7 Cb -0.35 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 2fnb s PRO 7 CO 0.37 -0.33 0.03 1.14 0.04 0.00 0.00 177.00 178.24 2fnb s GLN 8 N -0.26 2.32 -0.96 4.56 -2.07 -1.26 -4.69 119.66 117.29 2fnb s GLN 8 Ca 0.58 -1.44 -0.24 0.00 -1.82 0.00 0.00 55.36 52.44 2fnb s GLN 8 Cb -0.39 -2.17 -0.05 0.00 -1.09 0.00 0.00 33.01 29.31 2fnb s GLN 8 CO 0.41 0.32 1.93 -0.51 -1.32 0.00 0.00 175.29 176.12 2fnb s LEU 9 N -3.71 3.15 0.00 2.60 1.43 -1.26 -4.78 118.68 116.11 2fnb s LEU 9 Ca 0.33 -0.91 0.21 0.00 -1.03 0.00 0.00 54.13 52.73 2fnb s LEU 9 Cb -0.06 -2.57 1.12 0.00 0.03 0.00 0.00 46.19 44.71 2fnb s LEU 9 CO 0.20 -2.78 1.66 0.41 0.23 0.00 0.00 176.35 176.07 2fnb n THR 10 N 7.83 0.25 0.02 5.49 -1.04 -1.26 -2.02 114.28 123.55 2fnb n THR 10 Ca 0.41 0.06 0.03 0.00 -2.04 0.00 0.00 64.05 62.52 2fnb n THR 10 Cb 0.47 -0.72 0.07 0.00 -1.82 0.00 0.00 70.33 68.32 2fnb n THR 10 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2fnb n ASP 11 N -1.19 2.22 -4.49 8.00 5.75 -1.26 -5.01 116.55 120.57 2fnb n ASP 11 Ca 0.12 -1.77 -0.50 0.00 -0.01 0.00 0.00 54.79 52.63 2fnb n ASP 11 Cb 0.14 -0.09 -0.06 0.00 -1.03 0.00 0.00 41.12 40.07 2fnb n ASP 11 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2fnb n LEU 12 N 0.18 2.36 -3.77 -2.12 -0.00 -0.86 -4.53 117.00 108.27 2fnb n LEU 12 Ca 0.06 0.44 -0.09 0.00 -0.00 0.00 0.00 56.01 56.42 2fnb n LEU 12 Cb 0.29 -1.30 -0.04 0.00 -0.00 0.00 0.00 43.42 42.37 2fnb n LEU 12 CO 0.04 -0.67 0.26 -0.44 -0.00 0.00 0.00 177.39 176.58 2fnb s SER 13 N 7.11 -0.23 0.10 1.96 0.01 -0.80 -5.03 113.70 116.81 2fnb s SER 13 Ca 1.07 -0.53 0.06 0.00 1.31 0.00 0.00 55.95 57.86 2fnb s SER 13 Cb -0.79 0.58 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 2fnb s SER 13 CO 0.48 -1.06 -0.05 -0.36 0.41 0.00 0.00 173.24 172.66 2fnb s PHE 14 N -3.89 2.86 0.30 2.43 0.08 -1.26 -0.67 117.98 117.83 2fnb s PHE 14 Ca 0.10 -0.09 -0.02 0.00 0.12 0.00 0.00 56.93 57.04 2fnb s PHE 14 Cb -0.01 -1.48 -0.01 0.00 -0.57 0.00 0.00 43.02 40.95 2fnb s PHE 14 CO -0.02 0.45 0.38 0.14 -0.10 0.00 0.00 175.22 176.08 2fnb s VAL 15 N -1.26 0.00 -1.36 -0.44 -7.23 0.84 -4.94 120.40 106.00 2fnb s VAL 15 Ca 0.23 -1.70 -0.08 0.00 -1.81 0.00 0.00 61.98 58.62 2fnb s VAL 15 Cb -0.11 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2fnb s VAL 15 CO 0.16 0.00 0.44 -0.67 -0.31 0.00 0.00 175.10 174.71 2fnb n ASP 16 N -1.07 -1.39 -2.51 4.85 2.03 -1.26 -1.15 116.55 116.05 2fnb n ASP 16 Ca 0.02 -1.09 -0.24 0.00 0.52 0.00 0.00 54.79 53.99 2fnb n ASP 16 Cb 0.62 -2.68 -0.09 0.00 -0.72 0.00 0.00 41.12 38.26 2fnb n ASP 16 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2fnb n ILE 17 N -4.48 3.55 -1.71 5.18 5.41 -1.26 -3.73 119.36 122.32 2fnb n ILE 17 Ca -0.25 -2.52 -0.30 0.00 1.00 0.00 0.00 62.75 60.68 2fnb n ILE 17 Cb 0.66 -1.93 0.17 0.00 -0.71 0.00 0.00 39.64 37.83 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 -0.33 1.93 -1.45 1.39 -1.32 -1.19 -4.95 115.64 109.73 2fnb s THR 18 Ca 0.63 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 61.39 2fnb s THR 18 Cb 0.31 -2.87 0.50 0.00 -1.51 0.00 0.00 72.50 68.94 2fnb s THR 18 CO -0.10 0.00 1.97 0.47 -2.21 0.00 0.00 174.62 174.75 2fnb n ASP 19 N -3.87 0.00 0.00 8.08 8.00 -1.26 -3.99 116.55 123.52 2fnb n ASP 19 Ca 0.12 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.48 2fnb n ASP 19 Cb 0.60 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 2fnb n ASP 19 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2fnb n SER 20 N -1.28 0.14 -3.69 -2.24 3.41 -1.26 -4.43 113.62 104.28 2fnb n SER 20 Ca 0.14 -0.53 0.01 0.00 -0.26 0.00 0.00 58.87 58.23 2fnb n SER 20 Cb 0.22 0.72 0.01 0.00 -0.26 0.00 0.00 64.21 64.90 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 -0.72 -0.03 -0.06 4.04 1.04 -1.26 -4.65 113.70 112.06 2fnb s SER 21 Ca 0.00 -0.22 -0.01 0.00 0.48 0.00 0.00 55.95 56.20 2fnb s SER 21 Cb 0.00 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.34 2fnb s SER 21 CO 0.00 -0.38 -0.02 -0.51 0.98 0.00 0.00 173.24 173.32 2fnb s ILE 22 N -2.25 0.46 -0.16 -1.02 -1.16 -0.36 -3.17 121.20 113.54 2fnb s ILE 22 Ca 0.21 0.03 -0.08 0.00 -0.51 0.00 0.00 60.65 60.30 2fnb s ILE 22 Cb 0.02 -0.56 -0.04 0.00 0.61 0.00 0.00 42.46 42.48 2fnb s ILE 22 CO -0.01 0.25 0.13 -0.83 -2.81 0.00 0.00 174.94 171.67 2fnb s GLY 23 N 1.62 2.09 0.18 1.50 0.00 -0.30 -0.77 107.32 111.63 2fnb s GLY 23 Ca -0.00 -0.67 0.06 0.00 0.00 0.00 0.00 44.72 44.11 2fnb s GLY 23 CO -0.04 -0.12 0.09 1.08 0.00 0.00 0.00 173.10 174.11 2fnb s LEU 24 N -0.32 3.61 0.03 0.66 1.02 0.45 -0.11 118.68 124.01 2fnb s LEU 24 Ca 0.11 -0.25 0.03 0.00 0.02 0.00 0.00 54.13 54.04 2fnb s LEU 24 Cb -0.12 -2.22 -0.02 0.00 0.02 0.00 0.00 46.19 43.86 2fnb s LEU 24 CO 0.01 0.06 -0.10 -0.13 0.02 0.00 0.00 176.35 176.21 2fnb s ARG 25 N -3.13 0.71 0.32 1.70 0.52 0.15 -3.25 118.95 115.98 2fnb s ARG 25 Ca 0.30 -0.61 -0.16 0.00 -0.52 0.00 0.00 55.73 54.73 2fnb s ARG 25 Cb -0.09 -0.65 0.03 0.00 0.52 0.00 0.00 34.95 34.75 2fnb s ARG 25 CO 0.22 0.16 0.69 1.67 0.02 0.00 0.00 175.30 178.05 2fnb s TRP 26 N -0.80 0.10 0.09 -0.53 -2.14 -0.35 -1.91 118.94 113.40 2fnb s TRP 26 Ca -0.01 -0.60 -0.15 0.00 2.66 0.00 0.00 56.10 57.99 2fnb s TRP 26 Cb -0.07 0.61 -0.06 0.00 -3.10 0.00 0.00 33.47 30.85 2fnb s TRP 26 CO 0.01 -1.31 0.51 0.99 -2.66 0.00 0.00 176.95 174.49 2fnb s THR 27 N -3.32 4.88 -0.12 0.66 2.01 -1.26 -4.44 115.64 114.05 2fnb s THR 27 Ca 0.16 0.90 -0.28 0.00 0.31 0.00 0.00 61.69 62.78 2fnb s THR 27 Cb -0.04 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2fnb s THR 27 CO 0.10 0.40 0.95 -2.16 -0.69 0.00 0.00 174.62 173.22 2fnb s PRO 28 N -1.54 4.39 -0.90 4.92 0.04 -1.26 -4.86 135.00 135.78 2fnb s PRO 28 Ca 0.32 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.48 2fnb s PRO 28 Cb -0.16 -3.54 0.19 0.00 0.04 0.00 0.00 34.50 31.03 2fnb s PRO 28 CO 0.18 -0.30 0.94 -0.51 0.04 0.00 0.00 177.00 177.36 2fnb s LEU 29 N 1.97 6.11 0.00 -3.56 1.43 -1.26 -4.92 118.68 118.46 2fnb s LEU 29 Ca 0.45 -2.59 -0.00 0.00 -1.03 0.00 0.00 54.13 50.96 2fnb s LEU 29 Cb -0.18 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 2fnb s LEU 29 CO 0.17 -0.71 2.05 0.59 0.23 0.00 0.00 176.35 178.68 2fnb n ASN 30 N 4.74 5.27 -0.18 2.29 3.02 -1.26 -4.71 115.26 124.43 2fnb n ASN 30 Ca 0.19 -2.39 -0.05 0.00 -0.03 0.00 0.00 54.58 52.30 2fnb n ASN 30 Cb 0.47 -1.13 -0.04 0.00 -0.61 0.00 0.00 39.78 38.47 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 1.56 -0.46 0.00 6.41 7.64 -1.26 -4.87 113.62 122.64 2fnb n SER 31 Ca 0.02 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2fnb n SER 31 Cb 0.51 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 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 -4.01 0.00 0.00 6.43 3.41 -1.26 -5.00 113.62 113.19 2fnb n SER 32 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2fnb n SER 32 Cb 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2fnb n SER 32 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2fnb n THR 33 N 0.00 0.00 -1.41 6.66 -1.04 -1.26 -5.13 114.28 112.10 2fnb n THR 33 Ca 0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.57 2fnb n THR 33 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 2fnb n THR 33 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2fnb n ILE 34 N 0.00 1.52 -0.07 12.58 3.06 -1.26 -4.39 119.36 130.80 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 0.12 -0.29 -0.13 0.00 0.54 0.00 0.00 39.64 39.88 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 0.82 1.43 0.00 9.51 5.03 -1.72 -3.47 117.51 129.11 2fnb h ILE 35 Ca -0.36 -2.30 0.00 0.00 -0.12 0.00 0.00 64.86 62.08 2fnb h ILE 35 Cb 1.42 2.93 0.00 0.00 -3.03 0.00 0.00 36.82 38.14 2fnb h ILE 35 CO 0.52 0.51 0.00 0.61 -0.68 0.00 0.00 178.15 179.11 2fnb n GLY 36 N 1.56 -0.56 3.15 5.37 0.00 -1.17 -4.42 105.19 109.11 2fnb n GLY 36 Ca -0.19 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.18 1.46 -0.26 1.61 1.51 -1.26 -2.65 117.35 114.58 2fnb s TYR 37 Ca 0.00 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 2fnb s TYR 37 Cb 0.00 -0.93 0.04 0.00 -0.11 0.00 0.00 41.96 40.96 2fnb s TYR 37 CO 0.00 -0.02 -0.09 0.50 -1.11 0.00 0.00 175.55 174.83 2fnb s ARG 38 N -0.44 2.51 0.24 -0.62 3.00 0.06 -2.47 118.95 121.23 2fnb s ARG 38 Ca 0.06 -1.18 -0.21 0.00 -1.00 0.00 0.00 55.73 53.40 2fnb s ARG 38 Cb -0.06 -2.93 -0.09 0.00 0.00 0.00 0.00 34.95 31.87 2fnb s ARG 38 CO -0.00 -0.50 0.77 0.42 0.00 0.00 0.00 175.30 175.99 2fnb s ILE 39 N 1.21 4.49 0.09 4.11 1.09 -0.14 -1.01 121.20 131.03 2fnb s ILE 39 Ca -0.04 1.40 0.05 0.00 -1.10 0.00 0.00 60.65 60.95 2fnb s ILE 39 Cb -0.18 -3.90 -0.03 0.00 -1.06 0.00 0.00 42.46 37.29 2fnb s ILE 39 CO -0.05 0.20 -0.12 -0.89 -0.10 0.00 0.00 174.94 173.98 2fnb s THR 40 N -1.53 1.06 0.05 2.92 2.01 0.45 -1.32 115.64 119.29 2fnb s THR 40 Ca 0.44 -1.48 0.07 0.00 0.31 0.00 0.00 61.69 61.03 2fnb s THR 40 Cb -0.17 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 2fnb s THR 40 CO 0.22 -0.38 -0.19 0.68 -0.69 0.00 0.00 174.62 174.26 2fnb s VAL 41 N -1.82 1.52 0.20 3.82 -7.23 -0.72 -0.57 120.40 115.59 2fnb s VAL 41 Ca 0.02 -1.19 0.03 0.00 -1.81 0.00 0.00 61.98 59.03 2fnb s VAL 41 Cb -0.07 -1.34 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 2fnb s VAL 41 CO 0.02 0.12 -0.01 0.68 -0.31 0.00 0.00 175.10 175.59 2fnb s VAL 42 N -0.86 0.93 -0.68 1.32 -7.23 -1.17 -1.55 120.40 111.16 2fnb s VAL 42 Ca 0.06 -2.02 -0.23 0.00 -1.81 0.00 0.00 61.98 57.97 2fnb s VAL 42 Cb -0.09 -2.21 0.06 0.00 0.56 0.00 0.00 36.38 34.71 2fnb s VAL 42 CO 0.02 -0.43 1.03 0.00 -0.31 0.00 0.00 175.10 175.41 2fnb s ALA 43 N -3.49 3.05 0.03 1.32 0.00 -0.64 -1.95 121.76 120.08 2fnb s ALA 43 Ca 0.25 -1.77 -0.32 0.00 0.00 0.00 0.00 51.96 50.13 2fnb s ALA 43 Cb 0.05 -3.94 -0.10 0.00 0.00 0.00 0.00 23.12 19.13 2fnb s ALA 43 CO 0.06 -2.88 1.91 0.00 0.00 0.00 0.00 175.76 174.85 2fnb n ALA 44 N 8.01 1.52 0.00 0.00 0.00 0.71 -1.80 120.51 128.96 2fnb n ALA 44 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2fnb n ALA 44 Cb 0.46 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 4.40 2.12 3.28 0.00 0.00 -1.26 -4.38 105.19 109.35 2fnb n GLY 45 Ca 0.20 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 2fnb n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fnb s GLU 46 N 0.00 1.59 0.00 1.61 2.12 -0.74 -5.05 118.70 118.23 2fnb s GLU 46 Ca 0.00 -1.91 0.13 0.00 0.36 0.00 0.00 54.97 53.55 2fnb s GLU 46 Cb 0.00 0.19 0.40 0.00 0.26 0.00 0.00 34.13 34.98 2fnb s GLU 46 CO 0.00 -0.54 1.32 0.41 -0.54 0.00 0.00 175.26 175.91 2fnb n GLY 47 N -0.54 0.69 3.42 -1.50 0.00 -1.26 -4.51 105.19 101.49 2fnb n GLY 47 Ca 0.04 -0.41 -0.48 0.00 0.00 0.00 0.00 46.02 45.17 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 0.56 0.04 -1.87 -0.61 5.41 -1.26 -4.92 119.36 116.71 2fnb n ILE 48 Ca 0.13 -0.18 -0.30 0.00 1.00 0.00 0.00 62.75 63.41 2fnb n ILE 48 Cb 0.32 -1.12 0.05 0.00 -0.71 0.00 0.00 39.64 38.18 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 7.31 2.71 0.00 0.38 0.04 -1.26 -1.62 135.00 142.56 2fnb s PRO 49 Ca 1.19 0.42 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2fnb s PRO 49 Cb -1.07 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2fnb s PRO 49 CO 0.51 -1.14 0.00 -0.89 0.04 0.00 0.00 177.00 175.52 2fnb n ILE 50 N -3.07 0.00 -3.90 0.56 -0.00 -0.59 -4.84 119.36 107.52 2fnb n ILE 50 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.73 2fnb n ILE 50 Cb 0.58 -0.31 -0.07 0.00 -0.00 0.00 0.00 39.64 39.84 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 0.00 0.26 -0.17 1.39 -0.12 -1.25 -5.01 117.98 113.07 2fnb s PHE 51 Ca 0.00 -0.63 0.00 0.00 -0.05 0.00 0.00 56.93 56.25 2fnb s PHE 51 Cb 0.00 -0.00 0.00 0.00 -0.63 0.00 0.00 43.02 42.39 2fnb s PHE 51 CO 0.00 -0.69 -0.15 -1.83 -0.05 0.00 0.00 175.22 172.50 2fnb s GLU 52 N -3.92 3.18 0.20 1.99 -1.05 -1.26 -1.76 118.70 116.07 2fnb s GLU 52 Ca 0.13 -0.76 0.06 0.00 -0.15 0.00 0.00 54.97 54.25 2fnb s GLU 52 Cb 0.03 -2.64 -0.04 0.00 -0.44 0.00 0.00 34.13 31.04 2fnb s GLU 52 CO -0.04 -0.05 0.13 0.34 0.95 0.00 0.00 175.26 176.60 2fnb s ASP 53 N 0.97 5.40 0.13 0.83 -1.08 -0.43 -4.97 116.67 117.52 2fnb s ASP 53 Ca -0.02 -0.22 0.07 0.00 -0.52 0.00 0.00 52.55 51.86 2fnb s ASP 53 Cb -0.15 -1.36 -0.04 0.00 -1.46 0.00 0.00 42.92 39.92 2fnb s ASP 53 CO -0.03 0.04 -0.17 -0.36 0.52 0.00 0.00 175.17 175.17 2fnb s PHE 54 N -1.89 1.64 0.33 -5.34 0.08 -1.26 -0.97 117.98 110.57 2fnb s PHE 54 Ca 0.31 -0.49 0.01 0.00 0.12 0.00 0.00 56.93 56.88 2fnb s PHE 54 Cb -0.09 -0.85 -0.00 0.00 -0.57 0.00 0.00 43.02 41.51 2fnb s PHE 54 CO 0.23 0.23 0.04 1.33 -0.10 0.00 0.00 175.22 176.95 2fnb n VAL 55 N 0.58 0.00 0.21 -0.44 0.24 -1.03 -5.01 118.33 112.88 2fnb n VAL 55 Ca -0.16 -1.68 -0.09 0.00 -2.04 0.00 0.00 64.34 60.37 2fnb n VAL 55 Cb 0.56 0.44 -0.04 0.00 -1.47 0.00 0.00 33.84 33.33 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 0.97 -0.50 0.00 -1.34 3.58 -1.90 -3.40 116.42 113.83 2fnb h ASP 56 Ca -0.27 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2fnb h ASP 56 Cb 0.88 0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.06 2fnb h ASP 56 CO 0.44 -0.15 0.00 -1.54 -2.88 0.00 0.00 179.24 175.10 2fnb n SER 57 N -4.75 0.00 0.00 2.28 3.41 -1.26 -4.62 113.62 108.68 2fnb n SER 57 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 2fnb n SER 57 Cb 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 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 1.44 -4.76 4.04 3.41 -1.26 -4.55 113.62 111.94 2fnb n SER 58 Ca 0.00 -1.62 -0.40 0.00 -0.26 0.00 0.00 58.87 56.59 2fnb n SER 58 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.62 3.54 -0.41 -3.33 1.01 -1.26 -4.85 120.40 114.47 2fnb s VAL 59 Ca 0.00 1.51 0.05 0.00 0.00 0.00 0.00 61.98 63.54 2fnb s VAL 59 Cb 0.00 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2fnb s VAL 59 CO 0.00 0.34 0.40 0.61 0.00 0.00 0.00 175.10 176.46 2fnb n GLY 60 N 1.33 -0.10 2.69 4.51 0.00 -1.26 -4.32 105.19 108.04 2fnb n GLY 60 Ca -0.00 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.01 0.10 0.22 1.61 5.04 -1.26 -1.21 117.35 120.84 2fnb s TYR 61 Ca 0.04 0.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.90 2fnb s TYR 61 Cb 0.04 -0.48 -0.05 0.00 0.35 0.00 0.00 41.96 41.82 2fnb s TYR 61 CO 0.14 -0.19 0.05 -0.47 -1.34 0.00 0.00 175.55 173.74 2fnb s TYR 62 N 2.03 1.42 -0.09 4.97 5.04 -1.20 -5.01 117.35 124.52 2fnb s TYR 62 Ca 0.03 -1.09 -0.03 0.00 -2.44 0.00 0.00 57.07 53.54 2fnb s TYR 62 Cb -0.12 -0.83 0.05 0.00 0.35 0.00 0.00 41.96 41.41 2fnb s TYR 62 CO -0.03 -0.25 0.13 0.99 -1.34 0.00 0.00 175.55 175.04 2fnb s THR 63 N -3.68 -0.21 0.23 4.34 2.01 -1.26 -0.41 115.64 116.66 2fnb s THR 63 Ca 0.32 0.31 -0.22 0.00 0.31 0.00 0.00 61.69 62.40 2fnb s THR 63 Cb 0.07 -0.30 -0.08 0.00 0.01 0.00 0.00 72.50 72.20 2fnb s THR 63 CO 0.10 0.10 0.77 -0.69 -0.69 0.00 0.00 174.62 174.20 2fnb s VAL 64 N 2.25 4.47 0.09 3.82 1.01 0.05 -4.92 120.40 127.16 2fnb s VAL 64 Ca 0.04 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.48 2fnb s VAL 64 Cb -0.13 -3.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 2fnb s VAL 64 CO -0.06 0.26 0.02 0.41 0.00 0.00 0.00 175.10 175.73 2fnb n THR 65 N 0.88 0.00 -1.76 3.92 -1.04 -1.26 -1.23 114.28 113.80 2fnb n THR 65 Ca -0.02 -0.46 -0.06 0.00 -2.04 0.00 0.00 64.05 61.47 2fnb n THR 65 Cb 0.50 0.13 -0.01 0.00 -1.82 0.00 0.00 70.33 69.13 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 2.69 0.40 3.91 3.41 0.00 -1.26 -4.98 105.19 109.36 2fnb n GLY 66 Ca -0.02 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.63 3.10 -0.02 0.99 1.43 -1.26 -5.04 118.68 116.25 2fnb s LEU 67 Ca 0.00 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 53.90 2fnb s LEU 67 Cb 0.00 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.65 2fnb s LEU 67 CO 0.00 -1.19 -0.06 -0.70 0.23 0.00 0.00 176.35 174.62 2fnb s GLU 68 N -5.11 0.72 0.96 1.70 2.12 -1.26 -4.94 118.70 112.88 2fnb s GLU 68 Ca 0.56 -0.19 -0.12 0.00 0.36 0.00 0.00 54.97 55.58 2fnb s GLU 68 Cb -0.11 -0.71 0.16 0.00 0.26 0.00 0.00 34.13 33.74 2fnb s GLU 68 CO 0.47 0.05 1.09 -1.25 -0.54 0.00 0.00 175.26 175.07 2fnb s PRO 69 N 0.34 0.75 0.00 4.30 0.04 -1.26 -4.40 135.00 134.77 2fnb s PRO 69 Ca -0.04 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2fnb s PRO 69 Cb -0.09 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2fnb s PRO 69 CO 0.00 -2.61 0.00 0.41 0.04 0.00 0.00 177.00 174.84 2fnb n GLY 70 N -0.58 1.48 3.64 0.56 0.00 0.80 -5.01 105.19 106.09 2fnb n GLY 70 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.77 2.63 0.01 -0.61 -1.09 -1.26 -4.94 121.20 114.17 2fnb s ILE 71 Ca 0.00 -1.94 -0.09 0.00 -2.23 0.00 0.00 60.65 56.39 2fnb s ILE 71 Cb 0.00 -2.83 -0.05 0.00 -1.58 0.00 0.00 42.46 38.00 2fnb s ILE 71 CO 0.00 -0.18 0.31 -0.62 -1.23 0.00 0.00 174.94 173.22 2fnb s ASP 72 N -3.73 6.59 -0.10 3.58 -1.08 -1.26 -2.96 116.67 117.71 2fnb s ASP 72 Ca 0.35 0.70 0.03 0.00 -0.52 0.00 0.00 52.55 53.11 2fnb s ASP 72 Cb 0.00 -2.14 0.01 0.00 -1.46 0.00 0.00 42.92 39.33 2fnb s ASP 72 CO 0.20 0.27 -0.18 -0.31 0.52 0.00 0.00 175.17 175.67 2fnb s TYR 73 N -1.23 2.12 -0.80 -5.34 1.51 0.13 -0.21 117.35 113.53 2fnb s TYR 73 Ca 0.26 -0.92 -0.21 0.00 -1.01 0.00 0.00 57.07 55.19 2fnb s TYR 73 Cb -0.14 -1.48 0.09 0.00 -0.11 0.00 0.00 41.96 40.32 2fnb s TYR 73 CO 0.14 -0.42 1.09 -0.51 -1.11 0.00 0.00 175.55 174.74 2fnb s ASP 74 N 0.67 6.38 -0.59 2.29 1.01 -0.82 -2.11 116.67 123.50 2fnb s ASP 74 Ca -0.13 -1.41 -0.25 0.00 0.71 0.00 0.00 52.55 51.48 2fnb s ASP 74 Cb -0.16 -2.43 0.04 0.00 1.01 0.00 0.00 42.92 41.38 2fnb s ASP 74 CO 0.03 -1.33 1.02 -0.63 0.21 0.00 0.00 175.17 174.47 2fnb s ILE 75 N 3.73 4.26 0.24 0.77 1.09 -0.61 -3.04 121.20 127.63 2fnb s ILE 75 Ca 0.29 0.31 -0.14 0.00 -1.10 0.00 0.00 60.65 60.01 2fnb s ILE 75 Cb -0.10 -4.63 -0.08 0.00 -1.06 0.00 0.00 42.46 36.59 2fnb s ILE 75 CO 0.01 -1.27 0.64 -0.44 -0.10 0.00 0.00 174.94 173.78 2fnb s SER 76 N 3.06 6.80 -0.43 3.58 0.01 0.26 -2.09 113.70 124.88 2fnb s SER 76 Ca 0.32 1.17 0.06 0.00 1.31 0.00 0.00 55.95 58.80 2fnb s SER 76 Cb -0.12 -2.32 0.19 0.00 0.21 0.00 0.00 66.02 63.98 2fnb s SER 76 CO 0.19 -0.06 0.49 0.52 0.41 0.00 0.00 173.24 174.79 2fnb n VAL 77 N 0.15 -0.79 -2.96 3.43 0.31 -1.25 -0.41 118.33 116.81 2fnb n VAL 77 Ca -0.00 -2.91 -0.40 0.00 -0.01 0.00 0.00 64.34 61.02 2fnb n VAL 77 Cb 0.52 -0.95 -0.05 0.00 -0.91 0.00 0.00 33.84 32.45 2fnb n VAL 77 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2fnb s ILE 78 N 0.03 4.75 -0.06 2.52 1.01 -0.18 -4.60 121.20 124.67 2fnb s ILE 78 Ca 0.33 1.67 -0.14 0.00 0.00 0.00 0.00 60.65 62.50 2fnb s ILE 78 Cb 0.07 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 2fnb s ILE 78 CO -0.16 0.34 0.36 -0.89 0.00 0.00 0.00 174.94 174.60 2fnb s THR 79 N 0.08 5.16 -0.16 2.92 2.01 -1.26 -0.76 115.64 123.62 2fnb s THR 79 Ca 0.40 0.72 -0.02 0.00 0.31 0.00 0.00 61.69 63.10 2fnb s THR 79 Cb -0.20 -3.67 0.05 0.00 0.01 0.00 0.00 72.50 68.68 2fnb s THR 79 CO 0.23 0.52 0.01 -1.48 -0.69 0.00 0.00 174.62 173.21 2fnb s LEU 80 N -0.58 1.15 0.00 4.42 2.34 -1.09 -1.42 118.68 123.51 2fnb s LEU 80 Ca 0.22 -0.62 0.03 0.00 0.06 0.00 0.00 54.13 53.82 2fnb s LEU 80 Cb -0.15 -0.64 0.03 0.00 -0.56 0.00 0.00 46.19 44.87 2fnb s LEU 80 CO 0.10 -0.25 0.23 2.30 -1.06 0.00 0.00 176.35 177.67 2fnb n ILE 81 N 5.03 0.00 -1.01 1.48 -5.35 0.44 -2.23 119.36 117.72 2fnb n ILE 81 Ca -0.09 -1.16 -0.36 0.00 -0.27 0.00 0.00 62.75 60.87 2fnb n ILE 81 Cb 0.48 -0.28 -0.10 0.00 -1.74 0.00 0.00 39.64 38.00 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 -1.96 0.37 -2.37 7.28 5.15 -1.26 -2.51 115.26 119.96 2fnb n ASN 82 Ca -0.01 0.30 -0.08 0.00 -0.60 0.00 0.00 54.58 54.19 2fnb n ASN 82 Cb 0.33 -0.66 -0.01 0.00 -0.53 0.00 0.00 39.78 38.91 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 5.07 -0.40 3.59 8.20 0.00 -1.26 -4.87 105.19 115.52 2fnb n GLY 83 Ca 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.99 -0.41 -0.03 -0.02 0.00 -1.04 -5.17 107.32 98.65 2fnb s GLY 84 Ca 0.00 1.98 0.02 0.00 0.00 0.00 0.00 44.72 46.73 2fnb s GLY 84 CO 0.00 1.43 -0.07 1.85 0.00 0.00 0.00 173.10 176.31 2fnb s GLU 85 N -0.34 2.64 0.82 2.90 2.12 -1.26 -0.42 118.70 125.16 2fnb s GLU 85 Ca -0.03 -0.64 -0.10 0.00 0.36 0.00 0.00 54.97 54.57 2fnb s GLU 85 Cb -0.03 -2.54 0.13 0.00 0.26 0.00 0.00 34.13 31.95 2fnb s GLU 85 CO 0.02 0.63 1.15 -1.12 -0.54 0.00 0.00 175.26 175.40 2fnb s SER 86 N -1.11 4.05 0.25 -1.70 0.01 -0.51 -4.60 113.70 110.08 2fnb s SER 86 Ca 0.15 0.28 -0.30 0.00 1.31 0.00 0.00 55.95 57.39 2fnb s SER 86 Cb -0.11 -0.63 -0.10 0.00 0.21 0.00 0.00 66.02 65.39 2fnb s SER 86 CO 0.04 -2.12 1.35 0.00 0.41 0.00 0.00 173.24 172.93 2fnb s ALA 87 N -3.52 3.56 0.15 1.44 0.00 -1.26 -4.79 121.76 117.34 2fnb s ALA 87 Ca 0.67 1.22 -0.31 0.00 0.00 0.00 0.00 51.96 53.53 2fnb s ALA 87 Cb -0.07 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 2fnb s ALA 87 CO 0.48 -0.62 1.59 -1.25 0.00 0.00 0.00 175.76 175.96 2fnb s PRO 88 N -0.57 4.21 -0.34 0.00 0.04 -1.26 -4.85 135.00 132.22 2fnb s PRO 88 Ca 0.56 2.37 0.03 0.00 0.04 0.00 0.00 61.00 64.00 2fnb s PRO 88 Cb -0.39 -3.24 0.10 0.00 0.04 0.00 0.00 34.50 31.01 2fnb s PRO 88 CO 0.43 -0.64 0.07 0.99 0.04 0.00 0.00 177.00 177.89 2fnb s THR 89 N 1.46 1.99 0.41 1.26 2.01 -1.26 -5.09 115.64 116.42 2fnb s THR 89 Ca 0.71 -2.20 0.01 0.00 0.31 0.00 0.00 61.69 60.52 2fnb s THR 89 Cb -0.43 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.59 2fnb s THR 89 CO 0.31 -0.63 0.62 -0.89 -0.69 0.00 0.00 174.62 173.34 2fnb s THR 90 N 0.99 4.29 -0.02 -0.82 2.01 -1.26 -3.81 115.64 117.01 2fnb s THR 90 Ca 0.11 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.59 2fnb s THR 90 Cb -0.19 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.75 2fnb s THR 90 CO -0.11 -0.37 -0.08 -0.76 -0.69 0.00 0.00 174.62 172.60 2fnb s LEU 91 N -4.46 1.79 -0.09 4.42 1.43 -0.89 -4.99 118.68 115.91 2fnb s LEU 91 Ca 0.46 -0.17 -0.25 0.00 -1.03 0.00 0.00 54.13 53.14 2fnb s LEU 91 Cb -0.10 -0.50 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 2fnb s LEU 91 CO 0.37 0.06 0.79 -0.89 0.23 0.00 0.00 176.35 176.91 2fnb s THR 92 N 0.18 4.96 -0.08 5.49 2.01 -1.26 -1.58 115.64 125.37 2fnb s THR 92 Ca -0.03 1.61 -0.22 0.00 0.31 0.00 0.00 61.69 63.37 2fnb s THR 92 Cb -0.08 -4.12 0.05 0.00 0.01 0.00 0.00 72.50 68.36 2fnb s THR 92 CO 0.00 0.16 0.51 -1.58 -0.69 0.00 0.00 174.62 173.02 2fnb s GLN 93 N 1.28 0.80 0.49 4.92 2.00 -0.90 -4.99 119.66 123.27 2fnb s GLN 93 Ca 0.40 0.22 0.02 0.00 -2.00 0.00 0.00 55.36 54.00 2fnb s GLN 93 Cb -0.18 0.38 0.02 0.00 0.80 0.00 0.00 33.01 34.02 2fnb s GLN 93 CO 0.18 -0.21 0.70 -1.14 -0.50 0.00 0.00 175.29 174.32 2fnb s GLN 94 N -0.86 2.77 0.00 1.67 0.74 -1.26 -0.70 119.66 122.03 2fnb s GLN 94 Ca -0.09 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 54.55 2fnb s GLN 94 Cb -0.03 -2.57 0.00 0.00 1.10 0.00 0.00 33.01 31.51 2fnb s GLN 94 CO 0.06 -0.47 0.16 2.41 -0.55 0.00 0.00 175.29 176.90