#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 -5.08 116.66 112.20 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 0.00 1.09 7.00 2.89 0.00 -1.26 -5.04 105.19 109.87 2fnb n GLY 3 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 0.08 1.61 3.41 -1.26 -4.80 113.62 112.66 2fnb n SER 4 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 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 4.20 0.00 -3.78 4.33 4.07 -1.26 -4.99 120.64 123.21 2fnb n GLU 5 Ca 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 2fnb n GLU 5 Cb 0.00 -0.18 -0.12 0.00 -0.06 0.00 0.00 31.44 31.09 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 -2.00 -0.00 0.27 6.31 1.01 -1.26 -4.99 120.40 119.74 2fnb s VAL 6 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 2fnb s VAL 6 Cb 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 36.38 35.91 2fnb s VAL 6 CO 0.00 0.00 1.37 -2.16 0.00 0.00 0.00 175.10 174.31 2fnb s PRO 7 N 0.19 4.32 0.75 2.72 0.04 -1.26 -4.69 135.00 137.08 2fnb s PRO 7 Ca -0.00 2.22 -0.11 0.00 0.04 0.00 0.00 61.00 63.14 2fnb s PRO 7 Cb -0.02 -3.12 0.04 0.00 0.04 0.00 0.00 34.50 31.45 2fnb s PRO 7 CO -0.00 -0.30 1.08 -0.65 0.04 0.00 0.00 177.00 177.17 2fnb s GLN 8 N -0.79 2.47 -1.20 4.56 -0.21 -1.26 -4.67 119.66 118.56 2fnb s GLN 8 Ca 0.55 0.72 -0.22 0.00 0.02 0.00 0.00 55.36 56.43 2fnb s GLN 8 Cb -0.40 -1.96 -0.07 0.00 1.00 0.00 0.00 33.01 31.59 2fnb s GLN 8 CO 0.45 -1.37 1.91 -0.51 -2.12 0.00 0.00 175.29 173.65 2fnb s LEU 9 N -5.65 3.15 0.56 2.90 1.43 -1.26 -4.77 118.68 115.05 2fnb s LEU 9 Ca 0.59 -1.76 0.24 0.00 -1.03 0.00 0.00 54.13 52.17 2fnb s LEU 9 Cb -0.14 -2.59 1.52 0.00 0.03 0.00 0.00 46.19 45.01 2fnb s LEU 9 CO 0.54 -2.83 2.13 0.74 0.23 0.00 0.00 176.35 177.16 2fnb h THR 10 N 6.11 0.71 -0.22 5.49 2.02 -1.95 -2.19 112.91 122.87 2fnb h THR 10 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.43 2fnb h THR 10 Cb 0.93 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2fnb h THR 10 CO 1.26 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 176.48 2fnb n ASP 11 N -4.16 1.93 -4.62 4.18 -0.08 -1.26 -4.93 116.55 107.60 2fnb n ASP 11 Ca 0.01 -1.78 -0.50 0.00 -1.51 0.00 0.00 54.79 51.00 2fnb n ASP 11 Cb 0.24 -0.14 -0.05 0.00 2.34 0.00 0.00 41.12 43.51 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 0.50 2.20 -3.88 -2.67 -0.00 -0.83 -4.26 117.00 108.06 2fnb n LEU 12 Ca 0.16 1.10 -0.09 0.00 -0.00 0.00 0.00 56.01 57.18 2fnb n LEU 12 Cb 0.36 -1.27 -0.06 0.00 -0.00 0.00 0.00 43.42 42.45 2fnb n LEU 12 CO 0.13 -0.75 0.04 -0.94 -0.00 0.00 0.00 177.39 175.88 2fnb s SER 13 N 0.85 -0.03 0.06 1.96 1.04 0.54 -4.97 113.70 113.16 2fnb s SER 13 Ca 0.83 -0.73 0.08 0.00 0.48 0.00 0.00 55.95 56.61 2fnb s SER 13 Cb -0.86 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 65.68 2fnb s SER 13 CO 0.45 -0.91 -0.19 -0.36 0.98 0.00 0.00 173.24 173.21 2fnb s PHE 14 N -3.93 2.52 0.14 5.02 0.08 -1.26 -0.14 117.98 120.42 2fnb s PHE 14 Ca 0.13 -0.28 -0.07 0.00 0.12 0.00 0.00 56.93 56.84 2fnb s PHE 14 Cb 0.02 -1.42 -0.02 0.00 -0.57 0.00 0.00 43.02 41.04 2fnb s PHE 14 CO -0.03 0.28 0.21 0.14 -0.10 0.00 0.00 175.22 175.72 2fnb s VAL 15 N -0.97 0.09 -1.18 -0.44 -7.23 -0.57 -4.92 120.40 105.18 2fnb s VAL 15 Ca 0.15 -1.48 -0.26 0.00 -1.81 0.00 0.00 61.98 58.57 2fnb s VAL 15 Cb -0.10 -1.79 0.02 0.00 0.56 0.00 0.00 36.38 35.06 2fnb s VAL 15 CO 0.06 -0.42 0.73 0.47 -0.31 0.00 0.00 175.10 175.63 2fnb n ASP 16 N -0.15 -4.64 -3.50 4.85 9.92 -1.26 -1.48 116.55 120.29 2fnb n ASP 16 Ca -0.08 -1.14 -0.37 0.00 -0.53 0.00 0.00 54.79 52.66 2fnb n ASP 16 Cb 0.63 -2.62 -0.03 0.00 -0.64 0.00 0.00 41.12 38.46 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 -4.58 2.46 -3.04 0.53 5.41 -1.26 -3.55 119.36 115.34 2fnb n ILE 17 Ca -0.11 -1.88 -0.22 0.00 1.00 0.00 0.00 62.75 61.54 2fnb n ILE 17 Cb 0.58 -2.35 0.01 0.00 -0.71 0.00 0.00 39.64 37.18 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 4.04 3.84 -2.00 1.39 -1.32 -1.11 -5.00 115.64 115.48 2fnb s THR 18 Ca 0.52 -0.62 0.11 0.00 -1.21 0.00 0.00 61.69 60.49 2fnb s THR 18 Cb 0.13 -3.40 0.31 0.00 -1.51 0.00 0.00 72.50 68.04 2fnb s THR 18 CO 0.03 -0.26 1.22 0.47 -2.21 0.00 0.00 174.62 173.87 2fnb n ASP 19 N -2.02 0.00 0.00 8.08 9.92 -1.26 -2.99 116.55 128.27 2fnb n ASP 19 Ca 0.02 -1.12 0.00 0.00 -0.53 0.00 0.00 54.79 53.16 2fnb n ASP 19 Cb 0.58 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 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 -0.74 0.92 -3.60 -2.24 3.41 -1.26 -4.71 113.62 105.40 2fnb n SER 20 Ca 0.08 -0.25 -0.06 0.00 -0.26 0.00 0.00 58.87 58.39 2fnb n SER 20 Cb 0.04 0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.86 -0.19 -0.13 4.04 1.04 -1.16 -4.33 113.70 112.11 2fnb s SER 21 Ca 0.00 0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.60 2fnb s SER 21 Cb 0.00 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.31 2fnb s SER 21 CO 0.00 -0.21 -0.14 -0.51 0.98 0.00 0.00 173.24 173.37 2fnb s ILE 22 N -1.40 1.47 0.33 -1.02 -1.16 -0.96 -2.76 121.20 115.70 2fnb s ILE 22 Ca 0.05 -0.59 -0.12 0.00 -0.51 0.00 0.00 60.65 59.48 2fnb s ILE 22 Cb -0.01 -1.37 -0.08 0.00 0.61 0.00 0.00 42.46 41.61 2fnb s ILE 22 CO -0.04 0.44 0.70 -0.83 -2.81 0.00 0.00 174.94 172.41 2fnb s GLY 23 N 1.33 2.17 0.15 1.50 0.00 -0.55 -0.89 107.32 111.03 2fnb s GLY 23 Ca 0.01 -0.13 0.09 0.00 0.00 0.00 0.00 44.72 44.69 2fnb s GLY 23 CO -0.07 0.06 -0.19 1.08 0.00 0.00 0.00 173.10 173.97 2fnb s LEU 24 N -3.27 2.39 0.01 0.66 1.02 0.37 -1.51 118.68 118.35 2fnb s LEU 24 Ca 0.51 -0.80 -0.00 0.00 0.02 0.00 0.00 54.13 53.86 2fnb s LEU 24 Cb -0.10 -0.87 -0.01 0.00 0.02 0.00 0.00 46.19 45.23 2fnb s LEU 24 CO 0.23 0.01 -0.01 -0.60 0.02 0.00 0.00 176.35 175.99 2fnb s ARG 25 N -2.49 0.16 0.26 1.70 3.52 0.80 -2.07 118.95 120.83 2fnb s ARG 25 Ca 0.13 -0.31 -0.21 0.00 -0.13 0.00 0.00 55.73 55.21 2fnb s ARG 25 Cb -0.07 0.06 0.03 0.00 -1.56 0.00 0.00 34.95 33.40 2fnb s ARG 25 CO 0.06 -0.03 0.71 1.67 -0.81 0.00 0.00 175.30 176.91 2fnb s TRP 26 N -0.73 -0.23 0.07 5.12 -2.14 -0.02 -0.34 118.94 120.67 2fnb s TRP 26 Ca -0.08 -0.19 -0.18 0.00 2.66 0.00 0.00 56.10 58.31 2fnb s TRP 26 Cb -0.05 0.69 -0.07 0.00 -3.10 0.00 0.00 33.47 30.94 2fnb s TRP 26 CO -0.00 -1.17 0.54 0.99 -2.66 0.00 0.00 176.95 174.64 2fnb s THR 27 N -3.87 4.80 0.12 0.66 2.01 -1.26 -4.39 115.64 113.70 2fnb s THR 27 Ca 0.10 1.10 -0.19 0.00 0.31 0.00 0.00 61.69 63.01 2fnb s THR 27 Cb -0.05 -3.85 -0.07 0.00 0.01 0.00 0.00 72.50 68.54 2fnb s THR 27 CO 0.04 0.51 0.61 -2.16 -0.69 0.00 0.00 174.62 172.94 2fnb s PRO 28 N -1.23 4.21 0.02 4.92 0.04 -1.26 -4.96 135.00 136.74 2fnb s PRO 28 Ca 0.29 0.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.07 2fnb s PRO 28 Cb -0.18 -3.13 -0.27 0.00 0.04 0.00 0.00 34.50 30.95 2fnb s PRO 28 CO 0.18 0.57 0.92 -0.07 0.04 0.00 0.00 177.00 178.64 2fnb h LEU 29 N 4.16 0.37 0.78 -3.56 4.07 -1.91 -3.48 115.31 115.74 2fnb h LEU 29 Ca -0.49 -0.49 -0.36 0.00 0.08 0.00 0.00 57.88 56.62 2fnb h LEU 29 Cb 1.21 -0.12 -0.07 0.00 1.08 0.00 0.00 40.66 42.76 2fnb h LEU 29 CO 0.64 1.40 -0.52 0.59 -1.08 0.00 0.00 178.44 179.47 2fnb n ASN 30 N -3.45 -3.75 -0.21 -0.43 4.13 -1.26 -4.85 115.26 105.43 2fnb n ASN 30 Ca -0.14 -0.31 0.02 0.00 1.68 0.00 0.00 54.58 55.83 2fnb n ASN 30 Cb 1.04 -3.12 0.13 0.00 -1.54 0.00 0.00 39.78 36.29 2fnb n ASN 30 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2fnb h SER 31 N -0.86 -0.08 0.00 6.41 4.64 -1.92 -3.47 113.55 118.26 2fnb h SER 31 Ca -0.41 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2fnb h SER 31 Cb 1.28 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 2fnb h SER 31 CO 0.51 -0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 174.88 2fnb n SER 32 N -5.19 0.00 -0.16 4.97 3.41 -1.26 -4.92 113.62 110.48 2fnb n SER 32 Ca 0.10 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.85 2fnb n SER 32 Cb 0.37 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.80 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 -1.12 6.66 -1.04 -1.26 -4.90 114.28 112.61 2fnb n THR 33 Ca 0.00 -0.08 -0.44 0.00 -2.04 0.00 0.00 64.05 61.49 2fnb n THR 33 Cb 0.00 0.13 -0.06 0.00 -1.82 0.00 0.00 70.33 68.58 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 -0.88 0.00 -0.08 12.58 3.06 -1.26 -4.39 119.36 128.39 2fnb n ILE 34 Ca 0.13 0.00 -0.18 0.00 -2.50 0.00 0.00 62.75 60.20 2fnb n ILE 34 Cb 0.31 -0.02 -0.13 0.00 0.54 0.00 0.00 39.64 40.35 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 2.30 1.40 0.00 9.51 2.04 -1.64 -3.47 117.51 127.65 2fnb h ILE 35 Ca -0.38 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.19 2fnb h ILE 35 Cb 1.06 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 40.03 2fnb h ILE 35 CO 0.49 0.50 0.00 0.61 0.00 0.00 0.00 178.15 179.76 2fnb n GLY 36 N 1.55 -0.90 3.25 5.37 0.00 -1.22 -4.16 105.19 109.08 2fnb n GLY 36 Ca -0.20 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.00 1.60 -0.16 1.61 1.51 -1.26 -2.98 117.35 114.67 2fnb s TYR 37 Ca 0.00 -0.45 0.02 0.00 -1.01 0.00 0.00 57.07 55.63 2fnb s TYR 37 Cb 0.00 -0.87 0.01 0.00 -0.11 0.00 0.00 41.96 40.99 2fnb s TYR 37 CO 0.00 0.17 -0.21 0.50 -1.11 0.00 0.00 175.55 174.90 2fnb s ARG 38 N -2.01 3.02 -0.01 -0.62 3.00 0.01 -2.00 118.95 120.33 2fnb s ARG 38 Ca 0.05 -0.84 -0.01 0.00 -1.00 0.00 0.00 55.73 53.93 2fnb s ARG 38 Cb -0.09 -2.50 -0.04 0.00 0.00 0.00 0.00 34.95 32.32 2fnb s ARG 38 CO 0.04 -0.09 0.07 0.42 0.00 0.00 0.00 175.30 175.74 2fnb s ILE 39 N 1.01 4.68 -0.19 4.11 1.09 -0.06 -0.92 121.20 130.92 2fnb s ILE 39 Ca -0.02 -0.40 -0.04 0.00 -1.10 0.00 0.00 60.65 59.09 2fnb s ILE 39 Cb -0.14 -3.12 0.09 0.00 -1.06 0.00 0.00 42.46 38.22 2fnb s ILE 39 CO -0.06 0.38 0.23 -0.89 -0.10 0.00 0.00 174.94 174.49 2fnb s THR 40 N -1.16 -0.34 0.34 2.92 2.01 0.25 -1.98 115.64 117.69 2fnb s THR 40 Ca 0.22 -0.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.89 2fnb s THR 40 Cb -0.12 -0.65 -0.09 0.00 0.01 0.00 0.00 72.50 71.65 2fnb s THR 40 CO 0.13 -0.16 1.08 0.68 -0.69 0.00 0.00 174.62 175.65 2fnb s VAL 41 N 2.34 3.59 0.17 3.82 -7.23 -1.26 -0.93 120.40 120.90 2fnb s VAL 41 Ca 0.07 1.40 0.02 0.00 -1.81 0.00 0.00 61.98 61.65 2fnb s VAL 41 Cb -0.15 -3.81 -0.05 0.00 0.56 0.00 0.00 36.38 32.93 2fnb s VAL 41 CO -0.12 0.18 0.00 0.68 -0.31 0.00 0.00 175.10 175.54 2fnb s VAL 42 N -1.41 0.64 -0.02 1.32 -7.23 -0.26 -0.90 120.40 112.54 2fnb s VAL 42 Ca 0.51 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.41 2fnb s VAL 42 Cb -0.27 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2fnb s VAL 42 CO 0.34 -0.48 1.19 0.00 -0.31 0.00 0.00 175.10 175.83 2fnb s ALA 43 N -3.68 3.44 -1.06 1.32 0.00 -0.35 -0.90 121.76 120.54 2fnb s ALA 43 Ca 0.24 0.68 -0.24 0.00 0.00 0.00 0.00 51.96 52.64 2fnb s ALA 43 Cb 0.06 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 2fnb s ALA 43 CO 0.04 -0.63 1.97 0.00 0.00 0.00 0.00 175.76 177.14 2fnb s ALA 44 N 1.81 1.60 0.00 0.00 0.00 0.39 -1.96 121.76 123.61 2fnb s ALA 44 Ca 0.56 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2fnb s ALA 44 Cb -0.26 -4.63 0.00 0.00 0.00 0.00 0.00 23.12 18.23 2fnb s ALA 44 CO 0.24 -5.24 0.00 0.41 0.00 0.00 0.00 175.76 171.17 2fnb n GLY 45 N 6.25 -0.04 0.00 0.00 0.00 -1.26 -4.52 105.19 105.62 2fnb n GLY 45 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.40 0.00 -1.10 1.61 4.07 -1.21 -5.01 120.64 117.59 2fnb n GLU 46 Ca 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.06 2fnb n GLU 46 Cb 0.00 -0.33 -0.02 0.00 -0.06 0.00 0.00 31.44 31.03 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 0.00 0.51 3.41 8.31 0.00 -0.83 -4.94 105.19 111.65 2fnb n GLY 47 Ca 0.00 -0.11 -0.50 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.44 0.06 -2.37 -0.61 5.41 -1.26 -4.77 119.36 113.38 2fnb n ILE 48 Ca -0.04 -0.18 -0.41 0.00 1.00 0.00 0.00 62.75 63.13 2fnb n ILE 48 Cb 0.35 -1.17 -0.04 0.00 -0.71 0.00 0.00 39.64 38.08 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 7.02 4.53 -0.61 0.38 0.04 -1.26 -1.21 135.00 143.90 2fnb s PRO 49 Ca 1.18 1.90 -0.06 0.00 0.04 0.00 0.00 61.00 64.05 2fnb s PRO 49 Cb -1.07 -3.19 0.16 0.00 0.04 0.00 0.00 34.50 30.44 2fnb s PRO 49 CO 0.52 0.02 0.46 0.42 0.04 0.00 0.00 177.00 178.45 2fnb s ILE 50 N -0.67 4.13 0.28 0.56 1.09 -0.08 -4.94 121.20 121.58 2fnb s ILE 50 Ca 0.49 -2.53 0.00 0.00 -1.10 0.00 0.00 60.65 57.51 2fnb s ILE 50 Cb -0.33 -3.68 0.00 0.00 -1.06 0.00 0.00 42.46 37.39 2fnb s ILE 50 CO 0.41 -0.87 0.00 2.22 -0.10 0.00 0.00 174.94 176.60 2fnb n PHE 51 N 3.99 -2.70 -4.05 3.97 -1.74 -1.26 -4.06 117.46 111.61 2fnb n PHE 51 Ca 0.05 1.36 -0.07 0.00 -0.56 0.00 0.00 57.45 58.23 2fnb n PHE 51 Cb 0.40 -2.45 -0.10 0.00 1.52 0.00 0.00 39.48 38.86 2fnb n PHE 51 CO 0.00 0.00 0.00 -1.83 -0.56 0.00 0.00 176.76 174.37 2fnb s GLU 52 N -2.30 0.63 0.18 3.97 -1.05 -1.26 -4.19 118.70 114.68 2fnb s GLU 52 Ca 0.00 -1.14 -0.11 0.00 -0.15 0.00 0.00 54.97 53.58 2fnb s GLU 52 Cb 0.00 0.22 -0.00 0.00 -0.44 0.00 0.00 34.13 33.91 2fnb s GLU 52 CO 0.00 -0.13 0.35 0.16 0.95 0.00 0.00 175.26 176.59 2fnb s ASP 53 N -2.81 -0.03 0.29 0.83 -4.77 -0.84 -5.02 116.67 104.32 2fnb s ASP 53 Ca 0.05 -0.83 0.06 0.00 -3.30 0.00 0.00 52.55 48.54 2fnb s ASP 53 Cb 0.06 0.48 -0.06 0.00 -1.09 0.00 0.00 42.92 42.31 2fnb s ASP 53 CO -0.09 -0.95 -0.04 -0.36 0.70 0.00 0.00 175.17 174.42 2fnb s PHE 54 N -3.96 1.95 0.38 2.11 0.08 -1.26 -0.88 117.98 116.39 2fnb s PHE 54 Ca 0.17 -0.74 0.02 0.00 0.12 0.00 0.00 56.93 56.51 2fnb s PHE 54 Cb 0.02 -1.14 -0.01 0.00 -0.57 0.00 0.00 43.02 41.32 2fnb s PHE 54 CO 0.01 0.24 0.08 1.33 -0.10 0.00 0.00 175.22 176.78 2fnb n VAL 55 N -0.60 0.00 -0.08 -0.44 0.24 -0.85 -4.94 118.33 111.67 2fnb n VAL 55 Ca -0.05 -2.03 -0.15 0.00 -2.04 0.00 0.00 64.34 60.08 2fnb n VAL 55 Cb 0.64 0.61 -0.12 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 1.25 0.00 0.00 -1.34 1.82 -1.88 -3.36 116.42 112.91 2fnb h ASP 56 Ca -0.30 -0.82 0.00 0.00 -0.39 0.00 0.00 57.03 55.52 2fnb h ASP 56 Cb 1.05 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.06 2fnb h ASP 56 CO 0.49 1.07 0.00 -1.54 -1.61 0.00 0.00 179.24 177.65 2fnb n SER 57 N -4.58 0.00 -0.01 2.28 3.41 -1.26 -4.42 113.62 109.04 2fnb n SER 57 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2fnb n SER 57 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 1.52 -4.72 4.04 3.41 -1.26 -4.30 113.62 112.31 2fnb n SER 58 Ca 0.00 -1.80 -0.42 0.00 -0.26 0.00 0.00 58.87 56.40 2fnb n SER 58 Cb 0.00 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.81 3.82 -0.40 -3.33 1.01 -1.26 -4.76 120.40 114.67 2fnb s VAL 59 Ca 0.01 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.44 2fnb s VAL 59 Cb 0.01 -3.90 0.08 0.00 0.00 0.00 0.00 36.38 32.57 2fnb s VAL 59 CO 0.00 0.17 0.93 0.61 0.00 0.00 0.00 175.10 176.80 2fnb n GLY 60 N 2.74 1.47 3.17 4.51 0.00 -1.26 -4.56 105.19 111.25 2fnb n GLY 60 Ca 0.07 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.76 -0.65 0.16 1.61 6.14 -1.26 -0.84 117.35 121.76 2fnb s TYR 61 Ca 0.07 1.30 -0.05 0.00 0.64 0.00 0.00 57.07 59.03 2fnb s TYR 61 Cb 0.04 0.17 -0.02 0.00 0.42 0.00 0.00 41.96 42.57 2fnb s TYR 61 CO 0.06 -0.43 0.19 -0.47 0.64 0.00 0.00 175.55 175.54 2fnb s TYR 62 N 2.49 0.67 -0.05 4.97 6.14 -0.88 -5.01 117.35 125.69 2fnb s TYR 62 Ca -0.01 -1.02 0.01 0.00 0.64 0.00 0.00 57.07 56.69 2fnb s TYR 62 Cb -0.12 -0.27 0.02 0.00 0.42 0.00 0.00 41.96 42.01 2fnb s TYR 62 CO -0.11 -0.65 -0.07 0.99 0.64 0.00 0.00 175.55 176.35 2fnb s THR 63 N -4.03 0.75 0.23 4.34 2.01 -1.26 -0.47 115.64 117.20 2fnb s THR 63 Ca 0.23 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 2fnb s THR 63 Cb 0.05 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 2fnb s THR 63 CO 0.03 0.27 0.43 -0.69 -0.69 0.00 0.00 174.62 173.98 2fnb s VAL 64 N 0.90 5.16 0.40 3.82 1.01 -0.07 -4.98 120.40 126.66 2fnb s VAL 64 Ca -0.11 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2fnb s VAL 64 Cb -0.15 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2fnb s VAL 64 CO 0.01 -0.22 0.15 -0.89 0.00 0.00 0.00 175.10 174.14 2fnb s THR 65 N -1.94 0.52 0.00 3.92 2.01 -1.26 -2.27 115.64 116.62 2fnb s THR 65 Ca 0.40 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.40 2fnb s THR 65 Cb -0.11 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 70.06 2fnb s THR 65 CO 0.29 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 2fnb n GLY 66 N -0.89 0.75 3.73 4.40 0.00 -1.26 -4.98 105.19 106.94 2fnb n GLY 66 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 3.04 -0.25 0.99 1.43 -1.26 -5.05 118.68 117.57 2fnb s LEU 67 Ca 0.00 2.03 -0.04 0.00 -1.03 0.00 0.00 54.13 55.09 2fnb s LEU 67 Cb 0.00 -4.55 0.10 0.00 0.03 0.00 0.00 46.19 41.77 2fnb s LEU 67 CO 0.00 -2.39 0.17 -0.70 0.23 0.00 0.00 176.35 173.66 2fnb s GLU 68 N -4.62 0.19 1.06 1.70 -6.30 -1.26 -4.93 118.70 104.54 2fnb s GLU 68 Ca 0.65 -0.24 -0.13 0.00 -2.50 0.00 0.00 54.97 52.75 2fnb s GLU 68 Cb -0.21 -1.22 0.22 0.00 0.00 0.00 0.00 34.13 32.93 2fnb s GLU 68 CO 0.54 -0.89 1.07 -1.25 0.02 0.00 0.00 175.26 174.75 2fnb s PRO 69 N 2.19 -0.08 0.00 4.30 0.04 -1.26 -4.17 135.00 136.02 2fnb s PRO 69 Ca 0.07 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.72 2fnb s PRO 69 Cb -0.16 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2fnb s PRO 69 CO -0.26 -3.10 0.00 0.41 0.04 0.00 0.00 177.00 174.09 2fnb n GLY 70 N -0.47 2.96 3.33 0.56 0.00 -1.26 -5.04 105.19 105.26 2fnb n GLY 70 Ca 0.04 0.00 -0.23 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 -2.78 1.84 0.24 -0.61 -1.09 -1.26 -5.07 121.20 112.47 2fnb s ILE 71 Ca 0.00 -1.81 -0.18 0.00 -2.23 0.00 0.00 60.65 56.44 2fnb s ILE 71 Cb 0.00 -1.78 -0.08 0.00 -1.58 0.00 0.00 42.46 39.02 2fnb s ILE 71 CO 0.00 -0.21 0.71 -0.62 -1.23 0.00 0.00 174.94 173.59 2fnb s ASP 72 N -2.41 6.97 -0.05 3.58 -1.08 -1.26 -4.22 116.67 118.19 2fnb s ASP 72 Ca 0.13 1.35 0.04 0.00 -0.52 0.00 0.00 52.55 53.55 2fnb s ASP 72 Cb -0.07 -2.39 -0.00 0.00 -1.46 0.00 0.00 42.92 38.99 2fnb s ASP 72 CO 0.06 -0.01 -0.18 -0.31 0.52 0.00 0.00 175.17 175.25 2fnb s TYR 73 N -1.62 1.77 -0.60 -5.34 1.51 -0.20 -0.46 117.35 112.41 2fnb s TYR 73 Ca 0.45 -0.53 -0.25 0.00 -1.01 0.00 0.00 57.07 55.73 2fnb s TYR 73 Cb -0.15 -1.20 0.04 0.00 -0.11 0.00 0.00 41.96 40.55 2fnb s TYR 73 CO 0.20 -0.18 1.05 -0.51 -1.11 0.00 0.00 175.55 175.00 2fnb s ASP 74 N 0.07 6.31 -0.53 2.29 1.11 -0.07 -1.72 116.67 124.13 2fnb s ASP 74 Ca -0.05 -0.36 -0.21 0.00 0.18 0.00 0.00 52.55 52.11 2fnb s ASP 74 Cb -0.12 -2.48 0.05 0.00 1.07 0.00 0.00 42.92 41.44 2fnb s ASP 74 CO 0.03 -1.40 0.77 -0.63 1.18 0.00 0.00 175.17 175.12 2fnb s ILE 75 N 4.44 4.65 -0.14 0.77 1.09 -0.77 -1.10 121.20 130.14 2fnb s ILE 75 Ca 0.33 -0.13 -0.07 0.00 -1.10 0.00 0.00 60.65 59.68 2fnb s ILE 75 Cb -0.11 -4.41 -0.04 0.00 -1.06 0.00 0.00 42.46 36.84 2fnb s ILE 75 CO 0.19 -0.95 0.11 -0.94 -0.10 0.00 0.00 174.94 173.25 2fnb s SER 76 N 2.75 6.08 -0.21 3.58 1.04 -0.11 -2.06 113.70 124.78 2fnb s SER 76 Ca 0.22 0.31 -0.03 0.00 0.48 0.00 0.00 55.95 56.94 2fnb s SER 76 Cb -0.16 -1.98 0.07 0.00 0.10 0.00 0.00 66.02 64.05 2fnb s SER 76 CO 0.15 0.32 0.05 -0.69 0.98 0.00 0.00 173.24 174.06 2fnb s VAL 77 N -0.49 0.44 -0.13 5.02 1.01 -0.30 -0.58 120.40 125.37 2fnb s VAL 77 Ca 0.11 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 2fnb s VAL 77 Cb -0.12 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 2fnb s VAL 77 CO 0.02 -0.30 0.08 -0.63 0.00 0.00 0.00 175.10 174.27 2fnb s ILE 78 N 1.89 4.96 -0.19 2.22 1.01 -0.09 -2.35 121.20 128.64 2fnb s ILE 78 Ca 0.01 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 2fnb s ILE 78 Cb -0.17 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 2fnb s ILE 78 CO -0.12 0.57 0.18 -0.89 0.00 0.00 0.00 174.94 174.69 2fnb s THR 79 N -0.62 5.38 -0.23 2.92 2.01 -1.26 -0.81 115.64 123.02 2fnb s THR 79 Ca 0.12 0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.44 2fnb s THR 79 Cb -0.12 -3.52 0.05 0.00 0.01 0.00 0.00 72.50 68.92 2fnb s THR 79 CO 0.02 0.42 -0.11 -1.48 -0.69 0.00 0.00 174.62 172.79 2fnb s LEU 80 N 0.40 2.79 0.00 4.42 2.34 -1.16 -1.96 118.68 125.51 2fnb s LEU 80 Ca 0.11 -1.13 0.00 0.00 0.06 0.00 0.00 54.13 53.17 2fnb s LEU 80 Cb -0.12 -1.38 0.00 0.00 -0.56 0.00 0.00 46.19 44.14 2fnb s LEU 80 CO -0.00 -0.17 0.00 2.30 -1.06 0.00 0.00 176.35 177.42 2fnb n ILE 81 N 4.57 0.00 -1.44 1.48 -5.35 -0.05 -2.13 119.36 116.44 2fnb n ILE 81 Ca -0.15 0.00 -0.53 0.00 -0.27 0.00 0.00 62.75 61.80 2fnb n ILE 81 Cb 0.45 -0.78 -0.08 0.00 -1.74 0.00 0.00 39.64 37.49 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 -1.20 1.91 -1.98 7.28 5.15 -1.26 -3.91 115.26 121.24 2fnb n ASN 82 Ca 0.00 0.54 -0.20 0.00 -0.60 0.00 0.00 54.58 54.31 2fnb n ASN 82 Cb 0.00 -1.18 -0.05 0.00 -0.53 0.00 0.00 39.78 38.02 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 6.47 0.78 3.61 8.20 0.00 -1.26 -4.83 105.19 118.17 2fnb n GLY 83 Ca 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.41 -0.17 0.08 -0.02 0.00 -1.25 -5.19 107.32 98.36 2fnb s GLY 84 Ca 0.00 2.03 0.04 0.00 0.00 0.00 0.00 44.72 46.78 2fnb s GLY 84 CO 0.00 0.75 -0.11 -0.54 0.00 0.00 0.00 173.10 173.20 2fnb s GLU 85 N -1.86 0.80 0.88 2.90 2.02 -1.26 -0.87 118.70 121.30 2fnb s GLU 85 Ca 0.09 -1.05 -0.10 0.00 0.02 0.00 0.00 54.97 53.92 2fnb s GLU 85 Cb -0.01 -0.58 0.18 0.00 0.10 0.00 0.00 34.13 33.82 2fnb s GLU 85 CO -0.05 0.10 1.21 -1.12 0.02 0.00 0.00 175.26 175.43 2fnb s SER 86 N -2.15 3.52 0.63 -0.19 0.01 -0.83 -4.59 113.70 110.10 2fnb s SER 86 Ca 0.01 -0.01 -0.16 0.00 1.31 0.00 0.00 55.95 57.11 2fnb s SER 86 Cb -0.06 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 2fnb s SER 86 CO 0.01 -2.45 1.10 0.00 0.41 0.00 0.00 173.24 172.31 2fnb s ALA 87 N -3.62 2.56 -0.33 1.44 0.00 -1.26 -4.72 121.76 115.82 2fnb s ALA 87 Ca 0.72 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 2fnb s ALA 87 Cb -0.04 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 2fnb s ALA 87 CO 0.50 -1.10 1.68 -1.25 0.00 0.00 0.00 175.76 175.60 2fnb s PRO 88 N -3.97 3.45 -0.75 0.00 0.04 -1.26 -4.73 135.00 127.77 2fnb s PRO 88 Ca 0.67 1.34 -0.23 0.00 0.04 0.00 0.00 61.00 62.82 2fnb s PRO 88 Cb -0.20 -4.14 0.07 0.00 0.04 0.00 0.00 34.50 30.27 2fnb s PRO 88 CO 0.38 -1.71 1.12 0.99 0.04 0.00 0.00 177.00 177.82 2fnb s THR 89 N 6.32 4.19 0.19 1.26 2.01 -0.99 -4.92 115.64 123.69 2fnb s THR 89 Ca 0.74 -0.38 -0.02 0.00 0.31 0.00 0.00 61.69 62.35 2fnb s THR 89 Cb -0.21 -4.80 -0.05 0.00 0.01 0.00 0.00 72.50 67.46 2fnb s THR 89 CO 0.33 -1.62 0.39 -0.89 -0.69 0.00 0.00 174.62 172.14 2fnb s THR 90 N 4.38 5.20 -0.03 -0.82 2.01 -1.26 -1.15 115.64 123.98 2fnb s THR 90 Ca 0.29 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.04 2fnb s THR 90 Cb -0.11 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.70 2fnb s THR 90 CO 0.07 -0.12 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.58 2fnb s LEU 91 N -3.16 1.72 0.32 4.42 0.20 -0.88 -4.98 118.68 116.32 2fnb s LEU 91 Ca 0.39 -0.15 -0.27 0.00 0.69 0.00 0.00 54.13 54.79 2fnb s LEU 91 Cb -0.11 -0.47 -0.09 0.00 -0.43 0.00 0.00 46.19 45.09 2fnb s LEU 91 CO 0.28 0.04 1.00 -0.89 -0.29 0.00 0.00 176.35 176.49 2fnb s THR 92 N 0.30 3.92 -0.13 3.68 2.01 -1.26 -1.86 115.64 122.31 2fnb s THR 92 Ca -0.04 1.67 -0.30 0.00 0.31 0.00 0.00 61.69 63.33 2fnb s THR 92 Cb -0.09 -3.96 0.10 0.00 0.01 0.00 0.00 72.50 68.56 2fnb s THR 92 CO 0.00 0.20 0.86 -1.58 -0.69 0.00 0.00 174.62 173.41 2fnb s GLN 93 N -1.92 0.79 -0.01 4.92 2.00 -0.70 -4.98 119.66 119.76 2fnb s GLN 93 Ca 0.50 0.28 0.03 0.00 -2.00 0.00 0.00 55.36 54.16 2fnb s GLN 93 Cb -0.23 0.37 -0.03 0.00 0.80 0.00 0.00 33.01 33.92 2fnb s GLN 93 CO 0.29 -0.23 -0.07 -1.14 -0.50 0.00 0.00 175.29 173.65 2fnb s GLN 94 N -0.95 2.58 0.00 1.67 0.74 -1.26 -1.03 119.66 121.41 2fnb s GLN 94 Ca -0.05 -0.70 0.00 0.00 0.05 0.00 0.00 55.36 54.66 2fnb s GLN 94 Cb -0.01 -2.51 0.00 0.00 1.10 0.00 0.00 33.01 31.59 2fnb s GLN 94 CO 0.04 0.61 0.00 0.25 -0.55 0.00 0.00 175.29 175.64