#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 0.00 0.03 1.85 -1.26 -5.15 116.66 112.13 2fnb n ARG 2 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2fnb n ARG 2 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2fnb n ARG 2 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2fnb n GLY 3 N -0.34 -0.39 0.00 2.89 0.00 -1.26 -5.14 105.19 100.95 2fnb n GLY 3 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2fnb n GLY 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2fnb n SER 4 N 0.00 -0.10 0.00 1.61 3.41 -1.26 -5.10 113.62 112.19 2fnb n SER 4 Ca 0.00 -0.48 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 2fnb n SER 4 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2fnb n SER 4 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2fnb n GLU 5 N -0.57 0.00 -5.19 4.33 4.07 -1.26 -4.85 120.64 117.17 2fnb n GLU 5 Ca 0.00 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.78 2fnb n GLU 5 Cb 0.00 -0.02 -0.16 0.00 -0.06 0.00 0.00 31.44 31.20 2fnb n GLU 5 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2fnb s VAL 6 N 0.00 2.20 0.07 6.31 1.01 -1.26 -5.12 120.40 123.60 2fnb s VAL 6 Ca 0.00 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 2fnb s VAL 6 Cb 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 2fnb s VAL 6 CO 0.00 0.56 0.92 -2.16 0.00 0.00 0.00 175.10 174.43 2fnb s PRO 7 N 0.06 4.63 0.58 2.72 0.04 -1.26 -4.22 135.00 137.54 2fnb s PRO 7 Ca -0.10 1.36 0.05 0.00 0.04 0.00 0.00 61.00 62.35 2fnb s PRO 7 Cb -0.15 -3.39 0.07 0.00 0.04 0.00 0.00 34.50 31.06 2fnb s PRO 7 CO 0.06 0.16 0.80 1.14 0.04 0.00 0.00 177.00 179.20 2fnb s GLN 8 N 0.23 2.29 -0.93 4.56 -2.07 -1.26 -4.88 119.66 117.60 2fnb s GLN 8 Ca 0.46 -1.25 -0.24 0.00 -1.82 0.00 0.00 55.36 52.52 2fnb s GLN 8 Cb -0.22 -2.55 -0.16 0.00 -1.09 0.00 0.00 33.01 28.99 2fnb s GLN 8 CO 0.28 -0.87 1.92 1.28 -1.32 0.00 0.00 175.29 176.57 2fnb n LEU 9 N -2.34 2.99 0.07 2.60 4.77 -1.26 -4.75 117.00 119.08 2fnb n LEU 9 Ca 0.12 -2.84 0.20 0.00 -0.03 0.00 0.00 56.01 53.46 2fnb n LEU 9 Cb 0.60 -1.42 0.74 0.00 -2.33 0.00 0.00 43.42 41.02 2fnb n LEU 9 CO 0.41 -1.60 1.18 0.74 -1.33 0.00 0.00 177.39 176.79 2fnb h THR 10 N 5.57 0.51 -0.01 -5.08 2.02 -1.96 -0.34 112.91 113.63 2fnb h THR 10 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.44 2fnb h THR 10 Cb 0.84 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2fnb h THR 10 CO 1.52 0.00 -0.01 -0.67 0.37 0.00 0.00 175.52 176.73 2fnb n ASP 11 N -3.96 0.52 -4.60 4.18 2.03 -1.26 -4.94 116.55 108.51 2fnb n ASP 11 Ca 0.07 -1.13 -0.49 0.00 0.52 0.00 0.00 54.79 53.76 2fnb n ASP 11 Cb 0.57 -0.01 -0.05 0.00 -0.72 0.00 0.00 41.12 40.91 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 -0.61 2.94 -4.09 -2.67 -0.00 -0.14 -4.42 117.00 108.01 2fnb n LEU 12 Ca 0.22 0.70 -0.10 0.00 -0.00 0.00 0.00 56.01 56.83 2fnb n LEU 12 Cb 0.20 -1.35 -0.09 0.00 -0.00 0.00 0.00 43.42 42.18 2fnb n LEU 12 CO 0.18 -0.38 -0.21 -0.94 -0.00 0.00 0.00 177.39 176.04 2fnb s SER 13 N 5.67 0.23 0.18 1.96 1.04 -0.05 -5.02 113.70 117.71 2fnb s SER 13 Ca 1.00 -1.10 0.10 0.00 0.48 0.00 0.00 55.95 56.43 2fnb s SER 13 Cb -0.72 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 2fnb s SER 13 CO 0.50 -0.78 -0.18 -0.36 0.98 0.00 0.00 173.24 173.40 2fnb s PHE 14 N -4.02 2.45 0.24 5.02 0.08 -1.26 -0.58 117.98 119.90 2fnb s PHE 14 Ca 0.22 -0.30 -0.06 0.00 0.12 0.00 0.00 56.93 56.91 2fnb s PHE 14 Cb 0.06 -1.21 -0.02 0.00 -0.57 0.00 0.00 43.02 41.28 2fnb s PHE 14 CO 0.01 0.50 0.32 0.14 -0.10 0.00 0.00 175.22 176.08 2fnb s VAL 15 N -1.65 0.00 -1.31 -0.44 -7.23 -0.24 -4.85 120.40 104.68 2fnb s VAL 15 Ca 0.22 -1.71 -0.04 0.00 -1.81 0.00 0.00 61.98 58.64 2fnb s VAL 15 Cb -0.08 -2.39 -0.00 0.00 0.56 0.00 0.00 36.38 34.46 2fnb s VAL 15 CO 0.12 0.00 0.61 0.47 -0.31 0.00 0.00 175.10 175.99 2fnb n ASP 16 N -0.48 -1.74 -2.67 4.85 8.00 -1.26 -0.23 116.55 123.02 2fnb n ASP 16 Ca 0.01 -0.93 -0.24 0.00 0.71 0.00 0.00 54.79 54.34 2fnb n ASP 16 Cb 0.64 -3.57 -0.09 0.00 -0.02 0.00 0.00 41.12 38.08 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 -4.28 3.46 -1.14 0.53 2.08 -1.26 -3.56 119.36 115.19 2fnb n ILE 17 Ca -0.26 -1.93 -0.29 0.00 0.56 0.00 0.00 62.75 60.83 2fnb n ILE 17 Cb 0.66 -2.27 0.16 0.00 -0.75 0.00 0.00 39.64 37.45 2fnb n ILE 17 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2fnb s THR 18 N 1.74 2.33 -2.00 1.39 -1.32 -0.99 -4.93 115.64 111.86 2fnb s THR 18 Ca 0.65 0.11 0.09 0.00 -1.21 0.00 0.00 61.69 61.33 2fnb s THR 18 Cb 0.23 -2.56 0.26 0.00 -1.51 0.00 0.00 72.50 68.92 2fnb s THR 18 CO -0.03 -0.14 1.14 0.47 -2.21 0.00 0.00 174.62 173.85 2fnb n ASP 19 N -4.09 0.00 0.00 8.08 8.00 -1.26 -3.24 116.55 124.04 2fnb n ASP 19 Ca 0.06 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.39 2fnb n ASP 19 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 -0.70 0.97 -3.59 -2.24 3.41 -1.26 -4.86 113.62 105.34 2fnb n SER 20 Ca 0.07 -0.26 -0.05 0.00 -0.26 0.00 0.00 58.87 58.37 2fnb n SER 20 Cb 0.03 0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 64.68 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 -0.91 -0.15 -0.01 4.04 1.04 -1.20 -4.39 113.70 112.13 2fnb s SER 21 Ca 0.00 0.00 0.07 0.00 0.48 0.00 0.00 55.95 56.51 2fnb s SER 21 Cb 0.00 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 2fnb s SER 21 CO 0.00 -0.25 -0.22 -0.51 0.98 0.00 0.00 173.24 173.24 2fnb s ILE 22 N -2.41 2.39 0.26 -1.02 2.07 -0.36 -2.35 121.20 119.78 2fnb s ILE 22 Ca 0.09 -1.09 -0.05 0.00 -1.41 0.00 0.00 60.65 58.19 2fnb s ILE 22 Cb -0.01 -1.90 -0.05 0.00 0.13 0.00 0.00 42.46 40.63 2fnb s ILE 22 CO -0.05 0.51 0.51 -0.83 -1.91 0.00 0.00 174.94 173.17 2fnb s GLY 23 N -0.87 1.90 0.15 1.50 0.00 0.68 -0.68 107.32 110.01 2fnb s GLY 23 Ca 0.11 -0.58 0.11 0.00 0.00 0.00 0.00 44.72 44.36 2fnb s GLY 23 CO 0.01 -0.49 -0.25 1.08 0.00 0.00 0.00 173.10 173.45 2fnb s LEU 24 N -3.39 2.35 -0.03 0.66 1.43 0.82 -1.08 118.68 119.44 2fnb s LEU 24 Ca 0.43 -0.78 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 2fnb s LEU 24 Cb -0.11 -1.16 0.01 0.00 0.03 0.00 0.00 46.19 44.97 2fnb s LEU 24 CO 0.29 0.14 0.09 -0.60 0.23 0.00 0.00 176.35 176.50 2fnb s ARG 25 N -2.24 0.09 0.03 1.70 3.52 0.25 -1.53 118.95 120.77 2fnb s ARG 25 Ca 0.15 0.15 -0.01 0.00 -0.13 0.00 0.00 55.73 55.90 2fnb s ARG 25 Cb -0.09 0.00 0.00 0.00 -1.56 0.00 0.00 34.95 33.30 2fnb s ARG 25 CO 0.07 -0.04 0.06 -2.67 -0.81 0.00 0.00 175.30 171.91 2fnb n TRP 26 N 3.25 -0.81 -3.59 5.12 2.14 -0.54 -0.87 117.44 122.13 2fnb n TRP 26 Ca -0.15 -0.19 -0.40 0.00 2.07 0.00 0.00 57.50 58.83 2fnb n TRP 26 Cb 0.58 0.07 -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 -2.69 4.32 0.22 -1.67 2.01 -1.26 -4.68 115.64 111.90 2fnb s THR 27 Ca 0.02 -1.31 -0.30 0.00 0.31 0.00 0.00 61.69 60.40 2fnb s THR 27 Cb -0.00 -3.61 -0.10 0.00 0.01 0.00 0.00 72.50 68.80 2fnb s THR 27 CO 0.01 -0.48 1.43 -2.16 -0.69 0.00 0.00 174.62 172.74 2fnb s PRO 28 N 1.45 4.28 -0.52 4.92 0.04 -1.26 -4.99 135.00 138.93 2fnb s PRO 28 Ca 0.03 2.26 -0.19 0.00 0.04 0.00 0.00 61.00 63.14 2fnb s PRO 28 Cb -0.23 -3.14 0.07 0.00 0.04 0.00 0.00 34.50 31.24 2fnb s PRO 28 CO 0.03 -0.42 0.61 -0.51 0.04 0.00 0.00 177.00 176.75 2fnb s LEU 29 N -0.05 5.11 0.00 -3.56 1.02 -1.26 -4.95 118.68 114.98 2fnb s LEU 29 Ca 0.61 -1.04 -0.01 0.00 0.02 0.00 0.00 54.13 53.71 2fnb s LEU 29 Cb -0.41 -2.40 -0.03 0.00 0.02 0.00 0.00 46.19 43.37 2fnb s LEU 29 CO 0.40 -0.90 1.73 0.59 0.02 0.00 0.00 176.35 178.19 2fnb n ASN 30 N 6.09 4.09 -4.74 2.29 4.13 -1.26 -4.74 115.26 121.12 2fnb n ASN 30 Ca -0.08 -2.11 -0.33 0.00 1.68 0.00 0.00 54.58 53.75 2fnb n ASN 30 Cb 0.45 -0.90 0.08 0.00 -1.54 0.00 0.00 39.78 37.87 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 2.03 4.43 -0.11 6.41 0.01 -1.26 -5.00 113.70 120.21 2fnb s SER 31 Ca 0.07 2.18 -0.28 0.00 1.31 0.00 0.00 55.95 59.24 2fnb s SER 31 Cb 0.04 -2.57 -0.24 0.00 0.21 0.00 0.00 66.02 63.45 2fnb s SER 31 CO 0.00 -2.10 0.87 0.77 0.41 0.00 0.00 173.24 173.20 2fnb h SER 32 N -0.37 -0.00 1.19 2.44 4.64 -2.00 -3.40 113.55 116.05 2fnb h SER 32 Ca -0.47 -0.85 -0.07 0.00 -0.47 0.00 0.00 61.79 59.93 2fnb h SER 32 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 2fnb h SER 32 CO 0.51 0.86 -0.35 0.00 -0.87 0.00 0.00 176.83 176.98 2fnb h THR 33 N -0.88 0.70 -2.16 2.95 1.03 -1.97 -3.44 112.91 109.14 2fnb h THR 33 Ca -0.00 -1.61 -0.63 0.00 -0.01 0.00 0.00 66.41 64.16 2fnb h THR 33 Cb 0.86 2.06 0.09 0.00 -1.07 0.00 0.00 68.15 70.09 2fnb h THR 33 CO 0.00 0.34 0.23 0.00 -0.01 0.00 0.00 175.52 176.08 2fnb n ILE 34 N -3.33 1.30 -0.03 0.00 0.00 -1.26 -3.24 119.36 112.80 2fnb n ILE 34 Ca 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 62.75 62.42 2fnb n ILE 34 Cb 0.57 -0.93 -0.00 0.00 0.00 0.00 0.00 39.64 39.27 2fnb n ILE 34 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2fnb h ILE 35 N 2.43 0.00 -0.38 9.51 5.03 -1.80 -3.47 117.51 128.84 2fnb h ILE 35 Ca -0.42 -0.51 0.00 0.00 -0.12 0.00 0.00 64.86 63.81 2fnb h ILE 35 Cb 1.34 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.13 2fnb h ILE 35 CO 0.67 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.75 2fnb n GLY 36 N 1.80 1.06 3.18 5.37 0.00 -1.22 -4.26 105.19 111.11 2fnb n GLY 36 Ca -0.02 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.41 1.41 -0.09 1.61 2.02 -1.26 -3.03 117.35 115.60 2fnb s TYR 37 Ca 0.00 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 2fnb s TYR 37 Cb 0.00 -0.82 0.01 0.00 -0.40 0.00 0.00 41.96 40.75 2fnb s TYR 37 CO 0.00 0.07 -0.15 0.50 -1.57 0.00 0.00 175.55 174.39 2fnb s ARG 38 N -1.29 2.16 0.01 -0.62 3.00 -0.17 -2.38 118.95 119.66 2fnb s ARG 38 Ca 0.03 -0.55 0.01 0.00 -1.00 0.00 0.00 55.73 54.21 2fnb s ARG 38 Cb -0.08 -1.79 -0.04 0.00 0.00 0.00 0.00 34.95 33.04 2fnb s ARG 38 CO 0.02 -0.01 0.04 0.42 0.00 0.00 0.00 175.30 175.78 2fnb s ILE 39 N 0.81 4.45 -0.07 4.11 1.09 -0.37 -0.46 121.20 130.76 2fnb s ILE 39 Ca -0.11 -0.54 -0.01 0.00 -1.10 0.00 0.00 60.65 58.90 2fnb s ILE 39 Cb -0.16 -3.03 0.03 0.00 -1.06 0.00 0.00 42.46 38.25 2fnb s ILE 39 CO 0.01 0.34 -0.01 -0.89 -0.10 0.00 0.00 174.94 174.29 2fnb s THR 40 N -1.17 0.45 -0.21 2.92 2.01 0.20 -1.51 115.64 118.34 2fnb s THR 40 Ca 0.22 0.06 -0.07 0.00 0.31 0.00 0.00 61.69 62.21 2fnb s THR 40 Cb -0.12 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 2fnb s THR 40 CO 0.13 0.26 0.05 0.68 -0.69 0.00 0.00 174.62 175.06 2fnb s VAL 41 N 1.80 4.48 0.26 3.82 -7.23 -0.72 -0.55 120.40 122.26 2fnb s VAL 41 Ca 0.03 -0.13 0.06 0.00 -1.81 0.00 0.00 61.98 60.13 2fnb s VAL 41 Cb -0.13 -3.04 -0.06 0.00 0.56 0.00 0.00 36.38 33.72 2fnb s VAL 41 CO -0.05 0.41 -0.06 0.68 -0.31 0.00 0.00 175.10 175.78 2fnb s VAL 42 N 0.88 1.56 0.05 1.32 -7.23 -0.54 -1.25 120.40 115.20 2fnb s VAL 42 Ca 0.03 -2.12 -0.31 0.00 -1.81 0.00 0.00 61.98 57.78 2fnb s VAL 42 Cb -0.14 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 2fnb s VAL 42 CO 0.02 -0.34 1.18 0.00 -0.31 0.00 0.00 175.10 175.65 2fnb s ALA 43 N -3.07 3.37 0.15 1.32 0.00 -0.63 -0.56 121.76 122.34 2fnb s ALA 43 Ca 0.28 0.81 0.26 0.00 0.00 0.00 0.00 51.96 53.32 2fnb s ALA 43 Cb 0.03 -3.43 1.04 0.00 0.00 0.00 0.00 23.12 20.76 2fnb s ALA 43 CO 0.11 -0.42 1.87 0.00 0.00 0.00 0.00 175.76 177.32 2fnb h ALA 44 N 6.81 1.04 -0.42 0.00 0.00 -0.91 -3.27 119.26 122.50 2fnb h ALA 44 Ca -0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2fnb h ALA 44 Cb 1.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2fnb h ALA 44 CO 0.81 0.22 0.22 0.78 0.00 0.00 0.00 179.25 181.28 2fnb h GLY 45 N 1.98 0.64 -4.98 0.00 0.00 -1.86 -3.45 103.07 95.40 2fnb h GLY 45 Ca -0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 2fnb h GLY 45 CO 0.02 0.29 -0.06 1.85 0.00 0.00 0.00 176.54 178.64 2fnb s GLU 46 N -5.80 0.68 0.00 4.80 2.12 -1.23 -5.06 118.70 114.21 2fnb s GLU 46 Ca -0.13 0.65 0.00 0.00 0.36 0.00 0.00 54.97 55.85 2fnb s GLU 46 Cb 0.11 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.83 2fnb s GLU 46 CO 0.74 -0.11 0.23 0.41 -0.54 0.00 0.00 175.26 176.00 2fnb n GLY 47 N 2.50 0.55 3.41 -1.50 0.00 -1.25 -3.94 105.19 104.95 2fnb n GLY 47 Ca -0.15 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.38 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 0.22 0.06 -1.51 -0.61 5.41 -1.26 -4.90 119.36 116.77 2fnb n ILE 48 Ca 0.00 -0.18 -0.33 0.00 1.00 0.00 0.00 62.75 63.25 2fnb n ILE 48 Cb 0.10 -1.16 0.07 0.00 -0.71 0.00 0.00 39.64 37.94 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 7.00 2.44 0.00 0.38 0.04 -1.26 -1.60 135.00 142.00 2fnb s PRO 49 Ca 1.18 1.41 0.00 0.00 0.04 0.00 0.00 61.00 63.62 2fnb s PRO 49 Cb -1.07 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 31.57 2fnb s PRO 49 CO 0.52 -1.54 0.00 -0.89 0.04 0.00 0.00 177.00 175.13 2fnb n ILE 50 N -2.86 0.00 -3.90 0.56 2.08 -0.38 -4.82 119.36 110.04 2fnb n ILE 50 Ca 0.11 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.32 2fnb n ILE 50 Cb 0.52 -0.68 -0.01 0.00 -0.75 0.00 0.00 39.64 38.72 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 0.00 0.29 0.23 1.39 -0.71 -1.15 -5.04 117.98 112.99 2fnb s PHE 51 Ca 0.00 -0.79 0.07 0.00 -1.04 0.00 0.00 56.93 55.17 2fnb s PHE 51 Cb 0.00 0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 2fnb s PHE 51 CO 0.00 -1.34 -0.10 -1.83 -1.34 0.00 0.00 175.22 170.61 2fnb s GLU 52 N -3.01 1.40 0.20 1.99 -1.05 -1.26 -1.76 118.70 115.21 2fnb s GLU 52 Ca 0.19 -1.66 -0.12 0.00 -0.15 0.00 0.00 54.97 53.23 2fnb s GLU 52 Cb -0.04 -1.08 0.00 0.00 -0.44 0.00 0.00 34.13 32.57 2fnb s GLU 52 CO 0.12 0.11 0.41 0.16 0.95 0.00 0.00 175.26 177.01 2fnb s ASP 53 N -3.35 -0.07 0.20 0.83 1.47 -0.57 -5.00 116.67 110.17 2fnb s ASP 53 Ca 0.25 -0.82 0.07 0.00 1.18 0.00 0.00 52.55 53.23 2fnb s ASP 53 Cb 0.01 0.52 -0.05 0.00 -0.34 0.00 0.00 42.92 43.07 2fnb s ASP 53 CO 0.08 -1.02 -0.13 -0.36 0.68 0.00 0.00 175.17 174.42 2fnb s PHE 54 N -3.97 1.64 0.37 2.11 0.40 -1.26 -1.24 117.98 116.02 2fnb s PHE 54 Ca 0.18 -0.61 0.02 0.00 -0.60 0.00 0.00 56.93 55.92 2fnb s PHE 54 Cb 0.01 -0.78 -0.01 0.00 0.51 0.00 0.00 43.02 42.76 2fnb s PHE 54 CO 0.03 0.31 0.06 1.33 0.70 0.00 0.00 175.22 177.65 2fnb n VAL 55 N -0.35 0.00 0.12 -0.44 0.24 -1.00 -4.98 118.33 111.91 2fnb n VAL 55 Ca -0.08 -1.94 -0.06 0.00 -2.04 0.00 0.00 64.34 60.22 2fnb n VAL 55 Cb 0.60 0.56 -0.03 0.00 -1.47 0.00 0.00 33.84 33.50 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 1.17 -0.31 0.00 -1.34 1.82 -1.92 -3.39 116.42 112.46 2fnb h ASP 56 Ca -0.30 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.35 2fnb h ASP 56 Cb 1.01 0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.10 2fnb h ASP 56 CO 0.48 0.07 0.00 -1.54 -1.61 0.00 0.00 179.24 176.64 2fnb n SER 57 N -4.61 0.00 -1.18 2.28 3.41 -1.26 -4.62 113.62 107.64 2fnb n SER 57 Ca -0.05 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.60 2fnb n SER 57 Cb 0.15 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.15 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 1.02 -4.74 4.04 3.41 -1.26 -4.54 113.62 111.55 2fnb n SER 58 Ca 0.00 -2.33 -0.41 0.00 -0.26 0.00 0.00 58.87 55.87 2fnb n SER 58 Cb 0.00 -0.33 -0.04 0.00 -0.26 0.00 0.00 64.21 63.59 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 -0.59 3.57 -0.38 -3.33 1.01 -1.26 -4.74 120.40 114.67 2fnb s VAL 59 Ca 0.30 1.39 0.04 0.00 0.00 0.00 0.00 61.98 63.71 2fnb s VAL 59 Cb 0.33 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.82 2fnb s VAL 59 CO -0.13 0.25 0.40 0.61 0.00 0.00 0.00 175.10 176.24 2fnb n GLY 60 N 1.88 -0.18 3.00 4.51 0.00 -1.26 -4.31 105.19 108.82 2fnb n GLY 60 Ca 0.03 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.90 -0.28 0.05 1.61 6.14 -1.26 -1.47 117.35 121.24 2fnb s TYR 61 Ca 0.03 0.71 -0.01 0.00 0.64 0.00 0.00 57.07 58.45 2fnb s TYR 61 Cb 0.03 -0.02 -0.04 0.00 0.42 0.00 0.00 41.96 42.35 2fnb s TYR 61 CO 0.11 -0.23 -0.03 -0.47 0.64 0.00 0.00 175.55 175.57 2fnb s TYR 62 N 1.44 0.55 -0.02 4.97 5.04 -0.58 -4.99 117.35 123.76 2fnb s TYR 62 Ca -0.07 -1.04 0.03 0.00 -2.44 0.00 0.00 57.07 53.54 2fnb s TYR 62 Cb -0.11 -0.40 0.00 0.00 0.35 0.00 0.00 41.96 41.80 2fnb s TYR 62 CO -0.08 -0.35 -0.10 0.99 -1.34 0.00 0.00 175.55 174.67 2fnb s THR 63 N -3.85 0.82 -0.11 4.34 2.01 -1.26 -0.13 115.64 117.46 2fnb s THR 63 Ca 0.07 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.69 2fnb s THR 63 Cb 0.07 -0.72 -0.01 0.00 0.01 0.00 0.00 72.50 71.85 2fnb s THR 63 CO -0.09 0.25 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.24 2fnb s VAL 64 N 0.09 2.88 0.00 3.82 1.01 0.15 -5.00 120.40 123.35 2fnb s VAL 64 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2fnb s VAL 64 Cb -0.08 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.13 2fnb s VAL 64 CO 0.00 0.54 0.00 0.41 0.00 0.00 0.00 175.10 176.06 2fnb n THR 65 N 3.29 0.00 -2.31 3.92 -1.04 -1.26 -1.22 114.28 115.65 2fnb n THR 65 Ca -0.18 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.75 2fnb n THR 65 Cb 0.53 -1.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 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 5.00 0.13 3.94 3.41 0.00 -1.26 -4.91 105.19 111.50 2fnb n GLY 66 Ca 0.00 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.45 4.15 -0.10 0.99 1.43 -1.26 -4.98 118.68 116.46 2fnb s LEU 67 Ca 0.05 0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 53.48 2fnb s LEU 67 Cb -0.02 -3.18 0.05 0.00 0.03 0.00 0.00 46.19 43.07 2fnb s LEU 67 CO 0.06 -0.15 0.20 -0.70 0.23 0.00 0.00 176.35 175.98 2fnb s GLU 68 N -3.85 0.08 1.19 1.70 2.12 -1.26 -4.92 118.70 113.76 2fnb s GLU 68 Ca 0.38 0.63 -0.18 0.00 0.36 0.00 0.00 54.97 56.17 2fnb s GLU 68 Cb -0.10 -0.19 0.28 0.00 0.26 0.00 0.00 34.13 34.38 2fnb s GLU 68 CO 0.32 -0.30 1.08 -1.25 -0.54 0.00 0.00 175.26 174.56 2fnb s PRO 69 N 2.34 -1.08 0.00 4.30 0.04 -1.26 -4.37 135.00 134.96 2fnb s PRO 69 Ca 0.02 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.21 2fnb s PRO 69 Cb -0.12 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.83 2fnb s PRO 69 CO -0.07 -3.66 0.00 0.41 0.04 0.00 0.00 177.00 173.72 2fnb n GLY 70 N -0.56 2.31 3.44 0.56 0.00 -1.26 -5.00 105.19 104.68 2fnb n GLY 70 Ca 0.10 0.00 -0.29 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 -2.27 2.57 0.24 -0.61 -1.09 -1.26 -5.06 121.20 113.72 2fnb s ILE 71 Ca 0.00 -1.62 -0.28 0.00 -2.23 0.00 0.00 60.65 56.52 2fnb s ILE 71 Cb 0.00 -2.16 -0.09 0.00 -1.58 0.00 0.00 42.46 38.63 2fnb s ILE 71 CO 0.00 0.10 0.90 -0.62 -1.23 0.00 0.00 174.94 174.08 2fnb s ASP 72 N -2.10 7.51 -0.14 3.58 -1.08 -1.26 -4.17 116.67 119.02 2fnb s ASP 72 Ca 0.16 1.84 0.00 0.00 -0.52 0.00 0.00 52.55 54.04 2fnb s ASP 72 Cb -0.10 -2.57 0.02 0.00 -1.46 0.00 0.00 42.92 38.81 2fnb s ASP 72 CO 0.08 0.12 -0.13 -0.31 0.52 0.00 0.00 175.17 175.45 2fnb s TYR 73 N -1.27 2.00 -0.55 -5.34 1.51 -0.35 -0.26 117.35 113.08 2fnb s TYR 73 Ca 0.42 -1.08 -0.25 0.00 -1.01 0.00 0.00 57.07 55.14 2fnb s TYR 73 Cb -0.24 -1.50 0.04 0.00 -0.11 0.00 0.00 41.96 40.16 2fnb s TYR 73 CO 0.29 -0.61 1.01 -0.51 -1.11 0.00 0.00 175.55 174.61 2fnb s ASP 74 N 1.47 6.38 -0.46 2.29 1.01 0.27 -2.15 116.67 125.48 2fnb s ASP 74 Ca 0.03 -0.20 -0.20 0.00 0.71 0.00 0.00 52.55 52.90 2fnb s ASP 74 Cb -0.13 -2.47 0.04 0.00 1.01 0.00 0.00 42.92 41.37 2fnb s ASP 74 CO -0.09 -1.28 0.61 -0.63 0.21 0.00 0.00 175.17 173.98 2fnb s ILE 75 N 4.20 4.88 -0.01 0.77 1.09 -0.96 -1.46 121.20 129.70 2fnb s ILE 75 Ca 0.34 -0.20 -0.15 0.00 -1.10 0.00 0.00 60.65 59.55 2fnb s ILE 75 Cb -0.11 -4.22 -0.06 0.00 -1.06 0.00 0.00 42.46 37.02 2fnb s ILE 75 CO 0.21 -0.66 0.40 -0.44 -0.10 0.00 0.00 174.94 174.35 2fnb s SER 76 N 2.24 6.78 -0.19 3.58 0.01 0.28 -1.24 113.70 125.17 2fnb s SER 76 Ca 0.18 0.93 -0.04 0.00 1.31 0.00 0.00 55.95 58.32 2fnb s SER 76 Cb -0.16 -2.24 0.06 0.00 0.21 0.00 0.00 66.02 63.88 2fnb s SER 76 CO 0.15 0.31 0.08 -0.69 0.41 0.00 0.00 173.24 173.50 2fnb s VAL 77 N -0.96 0.09 -0.13 3.43 1.01 0.46 -0.63 120.40 123.68 2fnb s VAL 77 Ca 0.23 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 2fnb s VAL 77 Cb -0.16 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2fnb s VAL 77 CO 0.13 -0.30 0.01 -0.63 0.00 0.00 0.00 175.10 174.31 2fnb s ILE 78 N 2.05 4.32 -0.09 2.22 1.01 0.40 -1.94 121.20 129.17 2fnb s ILE 78 Ca 0.02 -0.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 2fnb s ILE 78 Cb -0.16 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 2fnb s ILE 78 CO -0.11 0.53 0.36 -0.89 0.00 0.00 0.00 174.94 174.83 2fnb s THR 79 N -0.16 5.20 -0.10 2.92 2.01 -1.26 -1.00 115.64 123.25 2fnb s THR 79 Ca 0.05 0.70 0.03 0.00 0.31 0.00 0.00 61.69 62.78 2fnb s THR 79 Cb -0.12 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.72 2fnb s THR 79 CO 0.02 0.47 -0.21 -1.48 -0.69 0.00 0.00 174.62 172.73 2fnb s LEU 80 N -0.20 1.97 0.54 4.42 2.34 -1.17 -1.68 118.68 124.91 2fnb s LEU 80 Ca 0.21 -0.50 0.02 0.00 0.06 0.00 0.00 54.13 53.91 2fnb s LEU 80 Cb -0.15 -1.27 0.01 0.00 -0.56 0.00 0.00 46.19 44.23 2fnb s LEU 80 CO 0.09 0.11 0.14 0.27 -1.06 0.00 0.00 176.35 175.90 2fnb s ILE 81 N 0.51 1.20 -0.49 1.48 -4.36 -0.04 -2.82 121.20 116.67 2fnb s ILE 81 Ca -0.16 -1.83 -0.44 0.00 -0.26 0.00 0.00 60.65 57.96 2fnb s ILE 81 Cb -0.17 -2.03 -0.19 0.00 1.25 0.00 0.00 42.46 41.32 2fnb s ILE 81 CO 0.06 0.00 1.96 -3.20 0.24 0.00 0.00 174.94 174.00 2fnb n ASN 82 N -1.48 0.86 -3.75 4.36 5.15 -1.20 -2.30 115.26 116.91 2fnb n ASN 82 Ca -0.15 0.81 -0.11 0.00 -0.60 0.00 0.00 54.58 54.52 2fnb n ASN 82 Cb 0.66 -0.88 0.00 0.00 -0.53 0.00 0.00 39.78 39.04 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 6.42 -0.21 3.60 8.20 0.00 -1.26 -4.89 105.19 117.06 2fnb n GLY 83 Ca 0.48 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.47 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 -4.48 -0.27 -0.01 -0.02 0.00 -0.97 -5.17 107.32 96.39 2fnb s GLY 84 Ca 0.11 2.23 0.07 0.00 0.00 0.00 0.00 44.72 47.14 2fnb s GLY 84 CO 0.23 1.42 -0.22 1.85 0.00 0.00 0.00 173.10 176.38 2fnb s GLU 85 N -0.43 1.76 0.05 2.90 2.12 -1.26 -0.86 118.70 122.97 2fnb s GLU 85 Ca -0.00 -0.82 -0.01 0.00 0.36 0.00 0.00 54.97 54.50 2fnb s GLU 85 Cb -0.03 -1.73 0.01 0.00 0.26 0.00 0.00 34.13 32.65 2fnb s GLU 85 CO -0.01 0.47 0.06 0.43 -0.54 0.00 0.00 175.26 175.67 2fnb n SER 86 N 2.45 0.03 -4.74 -1.70 7.64 -0.67 -4.61 113.62 112.01 2fnb n SER 86 Ca -0.16 -1.04 -0.41 0.00 1.01 0.00 0.00 58.87 58.27 2fnb n SER 86 Cb 0.52 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 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 -3.53 3.65 -0.50 -0.43 0.00 -1.26 -4.92 121.76 114.76 2fnb s ALA 87 Ca 0.04 1.35 -0.28 0.00 0.00 0.00 0.00 51.96 53.07 2fnb s ALA 87 Cb -0.00 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.57 2fnb s ALA 87 CO 0.03 -0.77 1.35 -1.25 0.00 0.00 0.00 175.76 175.12 2fnb s PRO 88 N -0.30 3.47 -0.54 0.00 0.04 -1.26 -4.60 135.00 131.82 2fnb s PRO 88 Ca 0.60 0.61 -0.25 0.00 0.04 0.00 0.00 61.00 62.00 2fnb s PRO 88 Cb -0.42 -4.05 0.04 0.00 0.04 0.00 0.00 34.50 30.10 2fnb s PRO 88 CO 0.43 -1.71 1.00 0.99 0.04 0.00 0.00 177.00 177.75 2fnb s THR 89 N 5.52 4.32 -0.10 1.26 2.01 -0.82 -4.92 115.64 122.91 2fnb s THR 89 Ca 0.54 0.51 0.02 0.00 0.31 0.00 0.00 61.69 63.06 2fnb s THR 89 Cb -0.11 -4.57 -0.02 0.00 0.01 0.00 0.00 72.50 67.82 2fnb s THR 89 CO 0.29 -1.12 -0.16 -0.89 -0.69 0.00 0.00 174.62 172.05 2fnb s THR 90 N 4.15 2.85 -0.26 -0.82 2.01 -1.26 -0.40 115.64 121.91 2fnb s THR 90 Ca 0.34 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.60 2fnb s THR 90 Cb -0.11 -2.16 0.07 0.00 0.01 0.00 0.00 72.50 70.32 2fnb s THR 90 CO 0.22 0.55 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.91 2fnb s LEU 91 N 0.04 2.97 0.33 4.42 1.43 -0.38 -4.98 118.68 122.51 2fnb s LEU 91 Ca -0.06 -1.40 -0.26 0.00 -1.03 0.00 0.00 54.13 51.39 2fnb s LEU 91 Cb -0.15 -1.26 -0.10 0.00 0.03 0.00 0.00 46.19 44.72 2fnb s LEU 91 CO 0.05 -0.27 0.94 0.28 0.23 0.00 0.00 176.35 177.58 2fnb s THR 92 N 1.31 4.22 0.04 5.49 -1.32 -1.26 -2.27 115.64 121.85 2fnb s THR 92 Ca -0.02 1.81 -0.27 0.00 -1.21 0.00 0.00 61.69 62.00 2fnb s THR 92 Cb -0.19 -3.99 0.09 0.00 -1.51 0.00 0.00 72.50 66.90 2fnb s THR 92 CO -0.08 0.12 0.83 -1.10 -2.21 0.00 0.00 174.62 172.18 2fnb s GLN 93 N -2.10 0.94 -0.39 7.08 -1.52 -0.91 -4.98 119.66 117.78 2fnb s GLN 93 Ca 0.51 -0.36 -0.19 0.00 -1.95 0.00 0.00 55.36 53.36 2fnb s GLN 93 Cb -0.18 0.42 0.01 0.00 -0.22 0.00 0.00 33.01 33.04 2fnb s GLN 93 CO 0.23 -0.41 0.56 -1.14 -0.25 0.00 0.00 175.29 174.28 2fnb s GLN 94 N -3.27 3.42 0.00 2.91 0.74 -1.26 -1.21 119.66 120.99 2fnb s GLN 94 Ca 0.05 -0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.15 2fnb s GLN 94 Cb -0.01 -3.88 0.00 0.00 1.10 0.00 0.00 33.01 30.22 2fnb s GLN 94 CO -0.09 -0.82 0.43 0.25 -0.55 0.00 0.00 175.29 174.51