#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 1.69 0.28 0.03 1.70 -1.26 -5.11 118.95 116.27 2fnb s ARG 2 Ca 0.00 -1.98 0.00 0.00 -0.47 0.00 0.00 55.73 53.28 2fnb s ARG 2 Cb 0.00 -0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.08 2fnb s ARG 2 CO 0.00 -0.43 0.00 0.41 -1.08 0.00 0.00 175.30 174.20 2fnb n GLY 3 N -0.68 -3.31 0.00 3.88 0.00 -1.26 -5.12 105.19 98.70 2fnb n GLY 3 Ca -0.01 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.22 -0.04 0.06 1.61 3.41 -1.26 -5.12 113.62 110.05 2fnb n SER 4 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2fnb n SER 4 Cb 0.24 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 1.28 0.00 -4.77 4.33 2.13 -1.26 -5.08 120.64 117.28 2fnb n GLU 5 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 2fnb n GLU 5 Cb 0.00 -0.15 -0.16 0.00 0.27 0.00 0.00 31.44 31.40 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 -1.62 1.35 -0.15 6.31 1.01 -1.26 -5.11 120.40 120.93 2fnb s VAL 6 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 2fnb s VAL 6 Cb 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 2fnb s VAL 6 CO 0.00 0.39 1.32 -2.16 0.00 0.00 0.00 175.10 174.66 2fnb s PRO 7 N 0.19 4.22 0.91 2.72 0.04 -1.26 -4.56 135.00 137.25 2fnb s PRO 7 Ca -0.07 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 62.59 2fnb s PRO 7 Cb -0.12 -3.80 0.19 0.00 0.04 0.00 0.00 34.50 30.80 2fnb s PRO 7 CO 0.03 -0.73 1.25 1.14 0.04 0.00 0.00 177.00 178.72 2fnb s GLN 8 N 3.59 0.83 -0.95 4.56 -2.07 -1.26 -4.82 119.66 119.54 2fnb s GLN 8 Ca 0.58 -0.63 -0.24 0.00 -1.82 0.00 0.00 55.36 53.25 2fnb s GLN 8 Cb -0.23 -1.97 0.03 0.00 -1.09 0.00 0.00 33.01 29.75 2fnb s GLN 8 CO 0.17 -2.21 1.54 -0.51 -1.32 0.00 0.00 175.29 172.95 2fnb s LEU 9 N -5.72 3.39 0.06 2.60 1.43 -1.26 -4.85 118.68 114.33 2fnb s LEU 9 Ca 0.73 -1.12 -0.33 0.00 -1.03 0.00 0.00 54.13 52.38 2fnb s LEU 9 Cb -0.04 -2.57 -0.19 0.00 0.03 0.00 0.00 46.19 43.43 2fnb s LEU 9 CO 0.51 -1.81 1.54 0.71 0.23 0.00 0.00 176.35 177.52 2fnb h THR 10 N 6.80 0.26 0.00 5.49 1.35 -1.93 -3.15 112.91 121.73 2fnb h THR 10 Ca 0.11 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 2fnb h THR 10 Cb 1.02 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 2fnb h THR 10 CO 1.36 0.01 0.00 -0.67 -0.25 0.00 0.00 175.52 175.97 2fnb n ASP 11 N -5.49 0.57 -4.68 5.36 2.03 -1.26 -4.86 116.55 108.22 2fnb n ASP 11 Ca -0.14 -1.29 -0.49 0.00 0.52 0.00 0.00 54.79 53.39 2fnb n ASP 11 Cb 0.40 -0.29 -0.05 0.00 -0.72 0.00 0.00 41.12 40.46 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 0.10 3.32 -3.78 -2.67 -0.00 -1.19 -4.02 117.00 108.75 2fnb n LEU 12 Ca 0.00 0.99 -0.10 0.00 -0.00 0.00 0.00 56.01 56.91 2fnb n LEU 12 Cb 0.14 -1.36 -0.04 0.00 -0.00 0.00 0.00 43.42 42.16 2fnb n LEU 12 CO 0.00 -0.12 0.23 -0.44 -0.00 0.00 0.00 177.39 177.06 2fnb s SER 13 N 3.63 -0.21 0.14 1.96 0.01 -0.09 -5.00 113.70 114.14 2fnb s SER 13 Ca 0.91 -0.54 0.10 0.00 1.31 0.00 0.00 55.95 57.73 2fnb s SER 13 Cb -0.72 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 2fnb s SER 13 CO 0.51 -1.04 -0.22 -0.36 0.41 0.00 0.00 173.24 172.54 2fnb s PHE 14 N -3.89 2.02 0.21 2.43 0.40 -1.26 -0.14 117.98 117.75 2fnb s PHE 14 Ca 0.11 -0.41 -0.07 0.00 -0.60 0.00 0.00 56.93 55.96 2fnb s PHE 14 Cb -0.00 -1.06 -0.02 0.00 0.51 0.00 0.00 43.02 42.45 2fnb s PHE 14 CO -0.02 0.33 0.28 0.14 0.70 0.00 0.00 175.22 176.65 2fnb s VAL 15 N -1.47 0.02 -1.04 -0.44 -7.23 -0.57 -4.91 120.40 104.76 2fnb s VAL 15 Ca 0.14 -1.66 -0.17 0.00 -1.81 0.00 0.00 61.98 58.47 2fnb s VAL 15 Cb -0.08 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.62 2fnb s VAL 15 CO 0.06 -0.08 0.72 0.47 -0.31 0.00 0.00 175.10 175.96 2fnb n ASP 16 N -0.29 -5.25 -3.55 4.85 8.00 -1.26 -0.57 116.55 118.48 2fnb n ASP 16 Ca -0.01 -0.96 -0.41 0.00 0.71 0.00 0.00 54.79 54.12 2fnb n ASP 16 Cb 0.64 -2.82 -0.01 0.00 -0.02 0.00 0.00 41.12 38.91 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 -3.74 3.94 -1.98 0.53 -0.00 -1.26 -3.27 119.36 113.59 2fnb n ILE 17 Ca -0.14 -2.95 -0.28 0.00 -0.00 0.00 0.00 62.75 59.38 2fnb n ILE 17 Cb 0.60 -2.58 0.11 0.00 -0.00 0.00 0.00 39.64 37.77 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 2.45 2.05 -1.93 1.39 -1.32 -1.20 -4.98 115.64 112.10 2fnb s THR 18 Ca 0.57 -0.06 0.24 0.00 -1.21 0.00 0.00 61.69 61.23 2fnb s THR 18 Cb 0.16 -2.99 0.65 0.00 -1.51 0.00 0.00 72.50 68.81 2fnb s THR 18 CO -0.07 0.00 1.80 0.47 -2.21 0.00 0.00 174.62 174.60 2fnb n ASP 19 N -3.34 0.00 0.00 8.08 9.92 -1.26 -3.80 116.55 126.15 2fnb n ASP 19 Ca 0.10 -0.66 0.00 0.00 -0.53 0.00 0.00 54.79 53.70 2fnb n ASP 19 Cb 0.61 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 41.05 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 -1.04 0.29 -3.63 -2.24 3.41 -1.26 -4.76 113.62 104.39 2fnb n SER 20 Ca 0.17 -0.62 0.01 0.00 -0.26 0.00 0.00 58.87 58.18 2fnb n SER 20 Cb 0.10 0.44 -0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.44 -0.05 -0.04 4.04 1.04 -1.25 -4.63 113.70 112.37 2fnb s SER 21 Ca 0.00 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.29 2fnb s SER 21 Cb 0.00 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.31 2fnb s SER 21 CO 0.00 -0.32 -0.07 -0.51 0.98 0.00 0.00 173.24 173.32 2fnb s ILE 22 N -2.41 0.71 0.39 -1.02 2.07 -0.55 -3.25 121.20 117.14 2fnb s ILE 22 Ca 0.15 -0.26 -0.19 0.00 -1.41 0.00 0.00 60.65 58.95 2fnb s ILE 22 Cb 0.04 -0.68 -0.10 0.00 0.13 0.00 0.00 42.46 41.85 2fnb s ILE 22 CO -0.03 0.25 0.87 -0.83 -1.91 0.00 0.00 174.94 173.29 2fnb s GLY 23 N 0.63 2.38 0.13 1.50 0.00 0.27 -1.04 107.32 111.19 2fnb s GLY 23 Ca -0.10 0.27 0.09 0.00 0.00 0.00 0.00 44.72 44.99 2fnb s GLY 23 CO 0.01 0.53 -0.22 1.08 0.00 0.00 0.00 173.10 174.49 2fnb s LEU 24 N -3.08 2.34 0.02 0.66 1.43 0.37 -1.51 118.68 118.91 2fnb s LEU 24 Ca 0.59 -0.75 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2fnb s LEU 24 Cb -0.10 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.12 2fnb s LEU 24 CO 0.15 0.08 -0.06 0.00 0.23 0.00 0.00 176.35 176.74 2fnb s ARG 25 N -2.17 0.46 0.16 1.70 1.70 0.80 -2.54 118.95 119.06 2fnb s ARG 25 Ca 0.11 -0.47 -0.05 0.00 -0.47 0.00 0.00 55.73 54.86 2fnb s ARG 25 Cb -0.09 -0.33 0.02 0.00 -0.57 0.00 0.00 34.95 33.98 2fnb s ARG 25 CO 0.06 0.08 0.29 -2.67 -1.08 0.00 0.00 175.30 171.97 2fnb n TRP 26 N 2.21 -1.36 -3.70 5.89 2.14 -0.30 -0.91 117.44 121.41 2fnb n TRP 26 Ca -0.18 -0.81 -0.38 0.00 2.07 0.00 0.00 57.50 58.20 2fnb n TRP 26 Cb 0.56 0.33 -0.11 0.00 -0.81 0.00 0.00 31.31 31.29 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 -2.62 3.86 -0.03 -1.67 2.01 -1.26 -4.66 115.64 111.27 2fnb s THR 27 Ca 0.08 -1.40 -0.30 0.00 0.31 0.00 0.00 61.69 60.38 2fnb s THR 27 Cb -0.02 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 2fnb s THR 27 CO 0.06 -0.40 1.42 -2.16 -0.69 0.00 0.00 174.62 172.85 2fnb s PRO 28 N 1.37 4.26 -0.84 4.92 0.04 -1.26 -4.89 135.00 138.59 2fnb s PRO 28 Ca 0.02 1.96 -0.25 0.00 0.04 0.00 0.00 61.00 62.77 2fnb s PRO 28 Cb -0.22 -3.67 0.01 0.00 0.04 0.00 0.00 34.50 30.67 2fnb s PRO 28 CO 0.01 -0.64 1.57 -0.51 0.04 0.00 0.00 177.00 177.48 2fnb s LEU 29 N 2.82 3.30 0.00 -3.56 1.43 -1.26 -4.87 118.68 116.53 2fnb s LEU 29 Ca 0.64 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2fnb s LEU 29 Cb -0.30 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.36 2fnb s LEU 29 CO 0.25 -2.01 1.67 0.59 0.23 0.00 0.00 176.35 177.08 2fnb n ASN 30 N 10.74 4.49 0.00 2.29 3.02 -1.26 -4.68 115.26 129.85 2fnb n ASN 30 Ca 0.23 -2.19 0.11 0.00 -0.03 0.00 0.00 54.58 52.70 2fnb n ASN 30 Cb 0.50 -0.93 0.61 0.00 -0.61 0.00 0.00 39.78 39.35 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 1.45 0.00 0.00 6.41 7.64 -1.26 -4.91 113.62 122.94 2fnb n SER 31 Ca 0.00 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.51 2fnb n SER 31 Cb 0.44 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.14 0.00 0.22 6.43 3.41 -1.26 -4.37 113.62 116.90 2fnb n SER 32 Ca 0.14 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.80 2fnb n SER 32 Cb 0.13 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.56 2fnb n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fnb h THR 33 N 0.00 1.07 -2.23 6.66 1.03 -1.97 -3.43 112.91 114.05 2fnb h THR 33 Ca 0.00 -0.86 -0.62 0.00 -0.01 0.00 0.00 66.41 64.92 2fnb h THR 33 Cb 0.00 1.48 0.08 0.00 -1.07 0.00 0.00 68.15 68.64 2fnb h THR 33 CO 0.00 0.24 0.40 0.00 -0.01 0.00 0.00 175.52 176.15 2fnb n ILE 34 N -4.11 0.92 -0.03 0.00 0.00 -1.26 -3.18 119.36 111.70 2fnb n ILE 34 Ca -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 62.75 62.49 2fnb n ILE 34 Cb 0.31 -1.09 -0.00 0.00 0.00 0.00 0.00 39.64 38.85 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 2.81 0.00 -0.42 9.51 5.03 -1.64 -3.48 117.51 129.33 2fnb h ILE 35 Ca -0.44 -0.50 0.00 0.00 -0.12 0.00 0.00 64.86 63.81 2fnb h ILE 35 Cb 1.32 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.11 2fnb h ILE 35 CO 0.72 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.80 2fnb n GLY 36 N 1.80 1.64 3.07 5.37 0.00 -1.22 -4.15 105.19 111.71 2fnb n GLY 36 Ca -0.02 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.44 1.51 -0.18 1.61 2.02 -1.26 -2.86 117.35 115.76 2fnb s TYR 37 Ca 0.00 -0.48 -0.04 0.00 -0.37 0.00 0.00 57.07 56.17 2fnb s TYR 37 Cb 0.00 -1.06 -0.03 0.00 -0.40 0.00 0.00 41.96 40.48 2fnb s TYR 37 CO 0.00 -0.20 -0.02 0.50 -1.57 0.00 0.00 175.55 174.26 2fnb s ARG 38 N 0.31 3.66 0.10 -0.62 3.00 0.22 -2.32 118.95 123.31 2fnb s ARG 38 Ca -0.08 -0.51 0.02 0.00 -1.00 0.00 0.00 55.73 54.15 2fnb s ARG 38 Cb -0.13 -3.00 -0.04 0.00 0.00 0.00 0.00 34.95 31.79 2fnb s ARG 38 CO 0.03 0.14 0.20 0.42 0.00 0.00 0.00 175.30 176.09 2fnb s ILE 39 N 0.64 5.10 0.04 4.11 1.09 0.26 -0.89 121.20 131.56 2fnb s ILE 39 Ca -0.01 -0.64 0.01 0.00 -1.10 0.00 0.00 60.65 58.91 2fnb s ILE 39 Cb -0.14 -3.54 -0.03 0.00 -1.06 0.00 0.00 42.46 37.69 2fnb s ILE 39 CO 0.02 0.04 -0.05 -0.89 -0.10 0.00 0.00 174.94 173.96 2fnb s THR 40 N -1.59 0.34 -0.04 2.92 2.01 0.81 -0.99 115.64 119.10 2fnb s THR 40 Ca 0.33 -1.31 -0.00 0.00 0.31 0.00 0.00 61.69 61.02 2fnb s THR 40 Cb -0.12 -0.85 0.03 0.00 0.01 0.00 0.00 72.50 71.57 2fnb s THR 40 CO 0.26 -0.63 0.00 0.68 -0.69 0.00 0.00 174.62 174.25 2fnb s VAL 41 N -2.30 0.21 0.26 3.82 -7.23 -0.47 -0.47 120.40 114.22 2fnb s VAL 41 Ca -0.05 0.12 0.06 0.00 -1.81 0.00 0.00 61.98 60.29 2fnb s VAL 41 Cb -0.04 -0.33 -0.06 0.00 0.56 0.00 0.00 36.38 36.52 2fnb s VAL 41 CO -0.03 0.18 -0.05 0.68 -0.31 0.00 0.00 175.10 175.57 2fnb s VAL 42 N 1.32 1.49 -0.56 1.32 -7.23 -1.00 -0.69 120.40 115.05 2fnb s VAL 42 Ca -0.05 -2.10 -0.19 0.00 -1.81 0.00 0.00 61.98 57.82 2fnb s VAL 42 Cb -0.13 -2.39 0.09 0.00 0.56 0.00 0.00 36.38 34.50 2fnb s VAL 42 CO -0.02 -0.33 0.66 0.00 -0.31 0.00 0.00 175.10 175.10 2fnb s ALA 43 N -3.12 3.42 0.00 1.32 0.00 -0.22 -0.79 121.76 122.36 2fnb s ALA 43 Ca 0.29 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 50.17 2fnb s ALA 43 Cb 0.04 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2fnb s ALA 43 CO 0.11 -2.21 0.00 0.00 0.00 0.00 0.00 175.76 173.66 2fnb n ALA 44 N 6.21 0.00 1.74 0.00 0.00 0.25 -2.42 120.51 126.29 2fnb n ALA 44 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.37 2fnb n ALA 44 Cb 0.43 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.00 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 0.00 -0.87 0.01 0.00 0.00 -1.26 -4.27 105.19 98.80 2fnb n GLY 45 Ca 0.00 -0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.57 0.38 0.00 1.61 2.13 -1.02 -4.88 120.64 118.30 2fnb n GLU 46 Ca 0.03 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.84 2fnb n GLU 46 Cb 0.01 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.22 2fnb n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2fnb n GLY 47 N 1.31 2.98 3.41 8.31 0.00 -1.26 -4.96 105.19 114.98 2fnb n GLY 47 Ca 0.13 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.82 0.03 -1.77 -0.61 5.41 -1.26 -4.94 119.36 114.39 2fnb n ILE 48 Ca 0.00 -0.13 -0.29 0.00 1.00 0.00 0.00 62.75 63.33 2fnb n ILE 48 Cb 0.00 -0.94 0.09 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 7.42 1.99 0.00 0.38 0.04 -1.26 -1.06 135.00 142.50 2fnb s PRO 49 Ca 1.22 0.29 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2fnb s PRO 49 Cb -1.16 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 31.45 2fnb s PRO 49 CO 0.52 -1.61 0.00 -0.89 0.04 0.00 0.00 177.00 175.06 2fnb n ILE 50 N -3.36 0.00 -3.83 0.56 2.08 0.14 -4.71 119.36 110.24 2fnb n ILE 50 Ca 0.07 0.14 -0.08 0.00 0.56 0.00 0.00 62.75 63.44 2fnb n ILE 50 Cb 0.59 -1.03 0.01 0.00 -0.75 0.00 0.00 39.64 38.46 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 -0.61 0.00 0.15 1.39 -0.71 -1.17 -5.04 117.98 111.98 2fnb s PHE 51 Ca 0.00 -0.60 0.05 0.00 -1.04 0.00 0.00 56.93 55.34 2fnb s PHE 51 Cb 0.00 0.79 -0.04 0.00 -1.21 0.00 0.00 43.02 42.56 2fnb s PHE 51 CO 0.00 -1.44 -0.11 -1.83 -1.34 0.00 0.00 175.22 170.50 2fnb s GLU 52 N -2.90 1.07 0.20 1.99 4.04 -1.26 -1.37 118.70 120.46 2fnb s GLU 52 Ca 0.14 -1.43 -0.14 0.00 0.04 0.00 0.00 54.97 53.57 2fnb s GLU 52 Cb -0.05 -0.69 0.01 0.00 0.02 0.00 0.00 34.13 33.42 2fnb s GLU 52 CO 0.10 0.09 0.45 0.34 -1.84 0.00 0.00 175.26 174.40 2fnb s ASP 53 N -3.09 -0.14 0.19 0.83 2.15 -0.16 -4.97 116.67 111.48 2fnb s ASP 53 Ca 0.16 -0.69 0.07 0.00 0.43 0.00 0.00 52.55 52.52 2fnb s ASP 53 Cb 0.01 0.54 -0.05 0.00 -0.30 0.00 0.00 42.92 43.13 2fnb s ASP 53 CO 0.01 -1.03 -0.13 -0.36 -0.17 0.00 0.00 175.17 173.49 2fnb s PHE 54 N -3.93 1.57 0.39 -5.34 0.40 -1.26 -0.57 117.98 109.24 2fnb s PHE 54 Ca 0.14 -0.63 0.02 0.00 -0.60 0.00 0.00 56.93 55.86 2fnb s PHE 54 Cb 0.00 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.78 2fnb s PHE 54 CO 0.01 0.27 0.07 1.33 0.70 0.00 0.00 175.22 177.60 2fnb n VAL 55 N -0.32 0.00 0.00 -0.44 0.24 -0.98 -4.95 118.33 111.88 2fnb n VAL 55 Ca -0.09 -2.08 0.00 0.00 -2.04 0.00 0.00 64.34 60.13 2fnb n VAL 55 Cb 0.60 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 2fnb n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2fnb n ASP 56 N -1.45 0.00 0.00 -1.34 -0.08 -1.26 -4.17 116.55 108.25 2fnb n ASP 56 Ca -0.11 0.72 0.00 0.00 -1.51 0.00 0.00 54.79 53.89 2fnb n ASP 56 Cb 0.55 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.57 2fnb n ASP 56 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2fnb n SER 57 N -1.80 0.00 -0.14 1.67 3.41 -1.26 -4.48 113.62 111.02 2fnb n SER 57 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 2fnb n SER 57 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 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 1.40 -4.71 4.04 3.41 -1.26 -4.64 113.62 111.86 2fnb n SER 58 Ca 0.00 -2.28 -0.42 0.00 -0.26 0.00 0.00 58.87 55.91 2fnb n SER 58 Cb 0.00 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 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 -1.36 4.02 -1.06 -3.33 1.01 -1.26 -4.78 120.40 113.63 2fnb s VAL 59 Ca 0.12 1.46 0.13 0.00 0.00 0.00 0.00 61.98 63.69 2fnb s VAL 59 Cb 0.11 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2fnb s VAL 59 CO 0.01 0.12 0.70 0.61 0.00 0.00 0.00 175.10 176.54 2fnb n GLY 60 N 3.18 -0.12 2.88 4.51 0.00 -1.26 -4.54 105.19 109.84 2fnb n GLY 60 Ca 0.09 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.81 -0.17 0.07 1.61 6.14 -1.26 -1.15 117.35 120.77 2fnb s TYR 61 Ca 0.09 0.54 -0.01 0.00 0.64 0.00 0.00 57.07 58.34 2fnb s TYR 61 Cb 0.11 -0.16 -0.04 0.00 0.42 0.00 0.00 41.96 42.28 2fnb s TYR 61 CO 0.39 -0.21 -0.02 -0.47 0.64 0.00 0.00 175.55 175.87 2fnb s TYR 62 N 1.67 0.61 -0.08 4.97 5.04 -1.05 -5.01 117.35 123.49 2fnb s TYR 62 Ca -0.04 -1.07 -0.01 0.00 -2.44 0.00 0.00 57.07 53.52 2fnb s TYR 62 Cb -0.12 -0.42 0.03 0.00 0.35 0.00 0.00 41.96 41.80 2fnb s TYR 62 CO -0.06 -0.37 -0.02 0.99 -1.34 0.00 0.00 175.55 174.75 2fnb s THR 63 N -3.90 0.54 0.39 4.34 2.01 -1.26 -0.48 115.64 117.28 2fnb s THR 63 Ca 0.10 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.01 2fnb s THR 63 Cb 0.08 -0.64 -0.06 0.00 0.01 0.00 0.00 72.50 71.88 2fnb s THR 63 CO -0.08 0.28 0.74 -0.69 -0.69 0.00 0.00 174.62 174.17 2fnb s VAL 64 N 1.76 4.84 0.00 3.82 1.01 -0.20 -4.94 120.40 126.68 2fnb s VAL 64 Ca 0.03 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2fnb s VAL 64 Cb -0.13 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2fnb s VAL 64 CO -0.05 -0.52 0.00 0.41 0.00 0.00 0.00 175.10 174.94 2fnb n THR 65 N -1.33 0.00 -1.00 3.92 -1.04 -1.26 -1.48 114.28 112.09 2fnb n THR 65 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2fnb n THR 65 Cb 0.54 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 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 3.06 0.39 3.84 3.41 0.00 -1.26 -4.93 105.19 109.69 2fnb n GLY 66 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.35 -0.10 0.99 1.43 -1.26 -4.99 118.68 118.10 2fnb s LEU 67 Ca 0.00 1.59 -0.06 0.00 -1.03 0.00 0.00 54.13 54.62 2fnb s LEU 67 Cb 0.00 -4.50 0.04 0.00 0.03 0.00 0.00 46.19 41.76 2fnb s LEU 67 CO 0.00 -1.02 0.25 -0.70 0.23 0.00 0.00 176.35 175.11 2fnb s GLU 68 N -4.65 0.24 0.91 1.70 2.56 -1.26 -4.87 118.70 113.32 2fnb s GLU 68 Ca 0.58 0.47 -0.15 0.00 0.00 0.00 0.00 54.97 55.88 2fnb s GLU 68 Cb -0.13 -0.04 0.22 0.00 2.00 0.00 0.00 34.13 36.19 2fnb s GLU 68 CO 0.45 -0.12 0.89 -0.35 -0.56 0.00 0.00 175.26 175.58 2fnb n PRO 69 N 3.82 -2.27 0.00 4.30 -0.04 -1.26 -4.47 135.00 135.08 2fnb n PRO 69 Ca -0.21 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 2fnb n PRO 69 Cb 0.55 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 2fnb n PRO 69 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fnb n GLY 70 N -2.81 3.07 3.18 0.55 0.00 -1.26 -4.99 105.19 102.92 2fnb n GLY 70 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.59 1.06 -0.43 -0.61 -1.09 -1.26 -4.92 121.20 111.35 2fnb s ILE 71 Ca 0.00 -1.44 -0.19 0.00 -2.23 0.00 0.00 60.65 56.79 2fnb s ILE 71 Cb 0.00 -1.18 0.02 0.00 -1.58 0.00 0.00 42.46 39.72 2fnb s ILE 71 CO 0.00 -0.36 0.53 -0.62 -1.23 0.00 0.00 174.94 173.26 2fnb s ASP 72 N -2.03 6.25 -0.22 3.58 2.15 -1.26 -4.15 116.67 120.99 2fnb s ASP 72 Ca 0.01 -0.55 -0.16 0.00 0.43 0.00 0.00 52.55 52.28 2fnb s ASP 72 Cb -0.07 -2.26 -0.04 0.00 -0.30 0.00 0.00 42.92 40.24 2fnb s ASP 72 CO 0.02 -0.67 0.39 -0.31 -0.17 0.00 0.00 175.17 174.43 2fnb s TYR 73 N 2.42 3.35 -0.93 -5.34 1.51 -0.30 -0.58 117.35 117.48 2fnb s TYR 73 Ca 0.16 0.57 -0.21 0.00 -1.01 0.00 0.00 57.07 56.58 2fnb s TYR 73 Cb -0.16 -2.53 0.08 0.00 -0.11 0.00 0.00 41.96 39.24 2fnb s TYR 73 CO 0.16 -0.05 1.26 -0.51 -1.11 0.00 0.00 175.55 175.29 2fnb s ASP 74 N 1.16 6.50 -0.66 2.29 1.11 0.03 -1.70 116.67 125.40 2fnb s ASP 74 Ca 0.18 -1.58 -0.25 0.00 0.18 0.00 0.00 52.55 51.08 2fnb s ASP 74 Cb -0.15 -2.48 0.05 0.00 1.07 0.00 0.00 42.92 41.41 2fnb s ASP 74 CO 0.08 -1.34 1.08 -0.63 1.18 0.00 0.00 175.17 175.54 2fnb s ILE 75 N 4.00 4.12 0.20 0.77 1.09 -1.21 -2.38 121.20 127.78 2fnb s ILE 75 Ca 0.37 0.12 -0.23 0.00 -1.10 0.00 0.00 60.65 59.81 2fnb s ILE 75 Cb -0.04 -4.73 -0.08 0.00 -1.06 0.00 0.00 42.46 36.54 2fnb s ILE 75 CO -0.06 -1.51 0.77 -0.44 -0.10 0.00 0.00 174.94 173.60 2fnb s SER 76 N 3.47 7.26 -0.10 3.58 0.01 0.38 -2.20 113.70 126.10 2fnb s SER 76 Ca 0.30 1.57 -0.03 0.00 1.31 0.00 0.00 55.95 59.09 2fnb s SER 76 Cb -0.12 -2.47 0.05 0.00 0.21 0.00 0.00 66.02 63.68 2fnb s SER 76 CO 0.15 0.13 0.09 -0.69 0.41 0.00 0.00 173.24 173.33 2fnb s VAL 77 N -1.32 -0.14 0.06 3.43 1.01 -0.34 -0.14 120.40 122.97 2fnb s VAL 77 Ca 0.39 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.66 2fnb s VAL 77 Cb -0.20 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2fnb s VAL 77 CO 0.24 0.00 -0.24 0.27 0.00 0.00 0.00 175.10 175.37 2fnb s ILE 78 N 2.19 1.99 -0.19 2.22 -4.36 -0.06 -2.71 121.20 120.27 2fnb s ILE 78 Ca 0.04 -1.41 -0.06 0.00 -0.26 0.00 0.00 60.65 58.96 2fnb s ILE 78 Cb -0.14 -1.73 -0.03 0.00 1.25 0.00 0.00 42.46 41.81 2fnb s ILE 78 CO -0.06 0.24 0.03 -0.89 0.24 0.00 0.00 174.94 174.50 2fnb s THR 79 N -0.88 4.39 -0.11 8.37 2.01 -1.26 -0.61 115.64 127.54 2fnb s THR 79 Ca 0.10 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 61.94 2fnb s THR 79 Cb -0.10 -2.97 0.02 0.00 0.01 0.00 0.00 72.50 69.46 2fnb s THR 79 CO 0.03 0.45 -0.13 -1.48 -0.69 0.00 0.00 174.62 172.79 2fnb s LEU 80 N 0.60 1.61 0.00 4.42 2.34 -1.13 -1.29 118.68 125.23 2fnb s LEU 80 Ca 0.01 -0.41 0.01 0.00 0.06 0.00 0.00 54.13 53.80 2fnb s LEU 80 Cb -0.13 -1.04 0.01 0.00 -0.56 0.00 0.00 46.19 44.46 2fnb s LEU 80 CO 0.02 -0.02 0.06 2.30 -1.06 0.00 0.00 176.35 177.64 2fnb n ILE 81 N 4.42 0.00 -1.11 1.48 -5.35 -0.03 -1.84 119.36 116.93 2fnb n ILE 81 Ca -0.18 -0.95 -0.28 0.00 -0.27 0.00 0.00 62.75 61.08 2fnb n ILE 81 Cb 0.51 0.03 -0.12 0.00 -1.74 0.00 0.00 39.64 38.31 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 -1.40 -0.02 -3.68 7.28 5.15 -1.19 -1.87 115.26 119.54 2fnb n ASN 82 Ca -0.06 0.04 -0.11 0.00 -0.60 0.00 0.00 54.58 53.84 2fnb n ASN 82 Cb 0.26 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 38.89 2fnb n ASN 82 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2fnb n GLY 83 N 4.66 -0.23 3.53 8.20 0.00 -1.26 -4.89 105.19 115.20 2fnb n GLY 83 Ca 0.49 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.27 -0.51 -0.11 -0.02 0.00 -0.78 -5.16 107.32 96.47 2fnb s GLY 84 Ca 0.11 1.54 0.01 0.00 0.00 0.00 0.00 44.72 46.38 2fnb s GLY 84 CO 0.25 1.24 -0.13 -0.54 0.00 0.00 0.00 173.10 173.91 2fnb s GLU 85 N -0.40 2.03 0.71 2.90 2.02 -1.26 -0.85 118.70 123.85 2fnb s GLU 85 Ca -0.05 -0.48 -0.07 0.00 0.02 0.00 0.00 54.97 54.38 2fnb s GLU 85 Cb -0.03 -1.80 0.06 0.00 0.10 0.00 0.00 34.13 32.46 2fnb s GLU 85 CO 0.05 -0.11 1.02 -1.12 0.02 0.00 0.00 175.26 175.11 2fnb s SER 86 N 1.15 4.82 0.27 -0.19 0.01 -0.41 -4.68 113.70 114.66 2fnb s SER 86 Ca -0.04 0.47 -0.30 0.00 1.31 0.00 0.00 55.95 57.39 2fnb s SER 86 Cb -0.14 -1.12 -0.11 0.00 0.21 0.00 0.00 66.02 64.86 2fnb s SER 86 CO -0.03 -1.60 1.52 0.00 0.41 0.00 0.00 173.24 173.53 2fnb s ALA 87 N -3.25 3.69 0.29 1.44 0.00 -1.26 -4.66 121.76 118.01 2fnb s ALA 87 Ca 0.60 1.45 -0.30 0.00 0.00 0.00 0.00 51.96 53.71 2fnb s ALA 87 Cb -0.11 -3.60 -0.11 0.00 0.00 0.00 0.00 23.12 19.30 2fnb s ALA 87 CO 0.45 -0.86 1.49 -1.25 0.00 0.00 0.00 175.76 175.59 2fnb s PRO 88 N -0.37 4.20 -0.33 0.00 0.04 -1.26 -4.73 135.00 132.54 2fnb s PRO 88 Ca 0.62 2.43 -0.00 0.00 0.04 0.00 0.00 61.00 64.09 2fnb s PRO 88 Cb -0.45 -3.06 0.11 0.00 0.04 0.00 0.00 34.50 31.14 2fnb s PRO 88 CO 0.45 -0.49 0.12 0.99 0.04 0.00 0.00 177.00 178.11 2fnb s THR 89 N -0.26 0.98 0.03 1.26 2.01 -1.10 -5.03 115.64 113.52 2fnb s THR 89 Ca 0.59 -1.63 0.02 0.00 0.31 0.00 0.00 61.69 60.98 2fnb s THR 89 Cb -0.44 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 2fnb s THR 89 CO 0.49 -0.72 0.05 -0.89 -0.69 0.00 0.00 174.62 172.85 2fnb s THR 90 N 1.37 4.44 -0.25 -0.82 2.01 -1.26 -1.20 115.64 119.94 2fnb s THR 90 Ca 0.11 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.47 2fnb s THR 90 Cb -0.19 -3.06 0.08 0.00 0.01 0.00 0.00 72.50 69.35 2fnb s THR 90 CO -0.20 0.28 0.08 -0.22 -0.69 0.00 0.00 174.62 173.87 2fnb s LEU 91 N -1.91 1.27 -0.28 4.42 0.20 -0.94 -4.99 118.68 116.46 2fnb s LEU 91 Ca 0.24 -1.15 -0.29 0.00 0.69 0.00 0.00 54.13 53.62 2fnb s LEU 91 Cb -0.12 -0.59 -0.00 0.00 -0.43 0.00 0.00 46.19 45.05 2fnb s LEU 91 CO 0.15 -0.37 1.34 0.28 -0.29 0.00 0.00 176.35 177.46 2fnb s THR 92 N 1.87 4.10 -0.09 3.68 -1.32 -1.26 -3.35 115.64 119.26 2fnb s THR 92 Ca 0.05 1.25 -0.01 0.00 -1.21 0.00 0.00 61.69 61.77 2fnb s THR 92 Cb -0.17 -4.08 -0.03 0.00 -1.51 0.00 0.00 72.50 66.71 2fnb s THR 92 CO -0.20 -0.42 -0.04 -1.58 -2.21 0.00 0.00 174.62 170.18 2fnb s GLN 93 N 4.16 3.05 0.31 7.08 2.00 -0.69 -4.89 119.66 130.67 2fnb s GLN 93 Ca 0.58 -0.50 0.09 0.00 -2.00 0.00 0.00 55.36 53.53 2fnb s GLN 93 Cb -0.18 -2.73 -0.05 0.00 0.80 0.00 0.00 33.01 30.85 2fnb s GLN 93 CO 0.23 0.57 0.06 -1.14 -0.50 0.00 0.00 175.29 174.51 2fnb s GLN 94 N -0.54 2.27 0.00 1.67 0.74 -1.26 -1.15 119.66 121.39 2fnb s GLN 94 Ca 0.09 -1.55 0.00 0.00 0.05 0.00 0.00 55.36 53.94 2fnb s GLN 94 Cb -0.12 -2.11 0.00 0.00 1.10 0.00 0.00 33.01 31.88 2fnb s GLN 94 CO 0.02 0.21 0.00 2.41 -0.55 0.00 0.00 175.29 177.38