#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fkd s VAL 2 N 0.00 0.35 -0.12 1.61 0.11 -1.26 -1.38 120.40 119.70 1fkd s VAL 2 Ca 0.00 -0.25 -0.00 0.00 -2.93 0.00 0.00 61.98 58.80 1fkd s VAL 2 Cb 0.00 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1fkd s VAL 2 CO 0.00 0.06 -0.11 -1.58 -3.33 0.00 0.00 175.10 170.14 1fkd s GLN 3 N -0.21 3.24 -0.17 1.54 2.00 -0.47 -4.97 119.66 120.63 1fkd s GLN 3 Ca 0.01 -0.65 -0.02 0.00 -2.00 0.00 0.00 55.36 52.70 1fkd s GLN 3 Cb -0.02 -2.63 -0.01 0.00 0.80 0.00 0.00 33.01 31.14 1fkd s GLN 3 CO -0.00 0.32 -0.09 0.08 -0.50 0.00 0.00 175.29 175.10 1fkd s VAL 4 N 0.08 3.23 -0.15 1.34 1.01 -1.26 -1.37 120.40 123.29 1fkd s VAL 4 Ca -0.04 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1fkd s VAL 4 Cb -0.14 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.85 1fkd s VAL 4 CO 0.04 0.49 -0.15 -1.61 0.00 0.00 0.00 175.10 173.87 1fkd s GLU 5 N 0.79 2.34 -0.05 2.72 2.02 -0.57 -4.99 118.70 120.97 1fkd s GLU 5 Ca -0.03 -0.58 -0.29 0.00 0.02 0.00 0.00 54.97 54.09 1fkd s GLU 5 Cb -0.15 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 1fkd s GLU 5 CO 0.01 -0.21 0.93 0.99 0.02 0.00 0.00 175.26 177.00 1fkd s THR 6 N 1.41 4.88 -0.22 3.63 2.01 -1.26 -0.11 115.64 125.98 1fkd s THR 6 Ca 0.04 1.93 -0.16 0.00 0.31 0.00 0.00 61.69 63.80 1fkd s THR 6 Cb -0.13 -4.26 -0.18 0.00 0.01 0.00 0.00 72.50 67.94 1fkd s THR 6 CO -0.10 0.13 0.04 -0.38 -0.69 0.00 0.00 174.62 173.62 1fkd n ILE 7 N 4.09 1.56 -4.25 1.82 5.41 0.67 -4.94 119.36 123.72 1fkd n ILE 7 Ca 0.05 -0.24 -0.19 0.00 1.00 0.00 0.00 62.75 63.37 1fkd n ILE 7 Cb 0.50 -1.92 -0.15 0.00 -0.71 0.00 0.00 39.64 37.36 1fkd n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1fkd s SER 8 N -7.05 0.94 0.67 4.38 0.01 -0.87 -4.98 113.70 106.81 1fkd s SER 8 Ca -0.31 -0.14 -0.15 0.00 1.31 0.00 0.00 55.95 56.65 1fkd s SER 8 Cb 0.09 -0.29 0.01 0.00 0.21 0.00 0.00 66.02 66.04 1fkd s SER 8 CO 0.59 0.03 1.14 -2.16 0.41 0.00 0.00 173.24 173.24 1fkd s PRO 9 N 0.33 2.66 0.00 12.44 0.04 -1.26 -1.10 135.00 148.12 1fkd s PRO 9 Ca -0.04 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1fkd s PRO 9 Cb -0.09 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1fkd s PRO 9 CO 0.00 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.07 1fkd n GLY 10 N -0.17 1.02 0.04 0.56 0.00 -1.26 -4.11 105.19 101.27 1fkd n GLY 10 Ca 0.11 -1.99 0.10 0.00 0.00 0.00 0.00 46.02 44.25 1fkd n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fkd n ASP 11 N -2.79 0.24 0.00 1.61 5.75 -0.36 -4.83 116.55 116.16 1fkd n ASP 11 Ca 0.00 0.54 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 1fkd n ASP 11 Cb 0.00 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 1fkd n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fkd n GLY 12 N 0.50 0.27 0.00 6.12 0.00 -1.26 -4.74 105.19 106.08 1fkd n GLY 12 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1fkd n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1fkd n ARG 13 N -1.06 3.59 -3.63 1.61 1.85 -1.26 -5.02 116.66 112.74 1fkd n ARG 13 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.46 1fkd n ARG 13 Cb 0.23 -0.56 -0.10 0.00 -1.05 0.00 0.00 32.46 30.99 1fkd n ARG 13 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1fkd s THR 14 N -0.55 3.93 0.01 8.89 2.01 -1.26 -5.06 115.64 123.60 1fkd s THR 14 Ca 0.00 -1.83 0.01 0.00 0.31 0.00 0.00 61.69 60.17 1fkd s THR 14 Cb 0.00 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1fkd s THR 14 CO 0.00 -0.72 0.06 -0.36 -0.69 0.00 0.00 174.62 172.91 1fkd s PHE 15 N 1.30 3.23 0.30 4.92 0.40 -1.26 -1.80 117.98 125.07 1fkd s PHE 15 Ca 0.06 0.16 -0.30 0.00 -0.60 0.00 0.00 56.93 56.25 1fkd s PHE 15 Cb -0.25 -1.70 -0.11 0.00 0.51 0.00 0.00 43.02 41.46 1fkd s PHE 15 CO -0.02 0.53 1.57 -2.14 0.70 0.00 0.00 175.22 175.86 1fkd s PRO 16 N -1.80 4.13 0.05 0.24 0.02 -1.26 -5.02 135.00 131.36 1fkd s PRO 16 Ca 0.23 2.56 0.05 0.00 0.02 0.00 0.00 61.00 63.87 1fkd s PRO 16 Cb -0.12 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 1fkd s PRO 16 CO 0.14 -0.60 -0.10 0.15 -0.33 0.00 0.00 177.00 176.26 1fkd s LYS 17 N -0.75 2.31 0.27 5.54 1.02 -1.26 -4.89 119.74 121.97 1fkd s LYS 17 Ca 0.61 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 55.41 1fkd s LYS 17 Cb -0.47 -2.37 -0.13 0.00 -0.52 0.00 0.00 37.83 34.33 1fkd s LYS 17 CO 0.50 0.55 1.38 0.54 -0.92 0.00 0.00 175.35 177.40 1fkd n ARG 18 N 1.20 2.08 -0.04 1.68 1.74 -1.26 -1.41 116.66 120.65 1fkd n ARG 18 Ca -0.15 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 1fkd n ARG 18 Cb 0.52 -2.38 0.00 0.00 -1.02 0.00 0.00 32.46 29.59 1fkd n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fkd n GLY 19 N 1.79 0.41 3.93 -0.13 0.00 -1.21 -4.98 105.19 104.99 1fkd n GLY 19 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1fkd n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fkd s GLN 20 N -0.92 3.30 -0.27 1.61 -0.21 -0.50 -5.02 119.66 117.66 1fkd s GLN 20 Ca 0.00 -0.82 -0.13 0.00 0.02 0.00 0.00 55.36 54.43 1fkd s GLN 20 Cb 0.00 -2.81 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 1fkd s GLN 20 CO 0.00 0.43 0.28 0.99 -2.12 0.00 0.00 175.29 174.87 1fkd s THR 21 N -2.00 5.25 -0.11 -0.19 2.01 -0.33 -3.99 115.64 116.28 1fkd s THR 21 Ca 0.34 0.38 -0.17 0.00 0.31 0.00 0.00 61.69 62.54 1fkd s THR 21 Cb -0.09 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1fkd s THR 21 CO 0.28 0.22 0.44 0.00 -0.69 0.00 0.00 174.62 174.87 1fkd s VAL 23 N 0.42 3.22 0.13 0.00 1.01 -0.22 -2.40 120.40 122.56 1fkd s VAL 23 Ca 0.24 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 1fkd s VAL 23 Cb -0.15 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1fkd s VAL 23 CO 0.10 0.44 0.02 0.68 0.00 0.00 0.00 175.10 176.34 1fkd s VAL 24 N 1.40 0.31 -0.07 2.92 -7.23 0.13 -0.78 120.40 117.07 1fkd s VAL 24 Ca 0.05 -1.91 0.02 0.00 -1.81 0.00 0.00 61.98 58.33 1fkd s VAL 24 Cb -0.14 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 1fkd s VAL 24 CO -0.04 -0.59 -0.12 -1.00 -0.31 0.00 0.00 175.10 173.05 1fkd s HIS 25 N -3.90 2.79 0.05 2.82 3.76 -0.90 -0.08 115.29 119.84 1fkd s HIS 25 Ca 0.20 -0.20 -0.03 0.00 -0.15 0.00 0.00 55.06 54.88 1fkd s HIS 25 Cb 0.07 -1.70 -0.03 0.00 1.11 0.00 0.00 32.58 32.03 1fkd s HIS 25 CO -0.00 0.15 0.03 1.52 -0.85 0.00 0.00 174.74 175.58 1fkd s TYR 26 N -0.52 0.39 -0.07 1.40 -0.85 -1.26 -0.68 117.35 115.76 1fkd s TYR 26 Ca 0.07 -0.87 0.01 0.00 -0.52 0.00 0.00 57.07 55.76 1fkd s TYR 26 Cb -0.12 -0.28 0.02 0.00 0.38 0.00 0.00 41.96 41.96 1fkd s TYR 26 CO 0.02 -0.39 -0.06 0.99 -1.52 0.00 0.00 175.55 174.58 1fkd s THR 27 N -3.55 0.78 -0.13 -3.49 2.01 -0.53 -1.24 115.64 109.48 1fkd s THR 27 Ca 0.03 -0.21 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 1fkd s THR 27 Cb 0.05 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1fkd s THR 27 CO -0.09 0.30 0.07 -0.83 -0.69 0.00 0.00 174.62 173.38 1fkd s GLY 28 N 1.22 1.97 0.06 4.40 0.00 0.50 -0.87 107.32 114.60 1fkd s GLY 28 Ca -0.05 -0.73 -0.04 0.00 0.00 0.00 0.00 44.72 43.89 1fkd s GLY 28 CO -0.02 -0.26 0.07 1.06 0.00 0.00 0.00 173.10 173.94 1fkd s MET 29 N -0.44 0.67 0.92 2.90 -1.94 0.36 -1.46 119.30 120.31 1fkd s MET 29 Ca 0.10 -1.02 -0.14 0.00 -1.71 0.00 0.00 55.69 52.92 1fkd s MET 29 Cb -0.12 0.25 0.16 0.00 2.01 0.00 0.00 34.83 37.13 1fkd s MET 29 CO 0.02 -0.17 1.22 -0.51 -0.01 0.00 0.00 175.02 175.57 1fkd s LEU 30 N -2.69 2.30 0.62 -0.03 1.43 -0.26 -0.66 118.68 119.39 1fkd s LEU 30 Ca 0.03 0.62 0.40 0.00 -1.03 0.00 0.00 54.13 54.15 1fkd s LEU 30 Cb 0.05 -2.84 2.00 0.00 0.03 0.00 0.00 46.19 45.43 1fkd s LEU 30 CO -0.09 -2.56 2.22 -0.33 0.23 0.00 0.00 176.35 175.82 1fkd h GLU 31 N -1.51 0.00 -0.25 1.70 4.39 -1.91 -0.14 114.58 116.86 1fkd h GLU 31 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1fkd h GLU 31 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1fkd h GLU 31 CO 0.52 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 177.97 1fkd n ASP 32 N -3.09 2.09 0.00 1.42 5.75 -1.26 -4.92 116.55 116.55 1fkd n ASP 32 Ca -0.02 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 1fkd n ASP 32 Cb 0.17 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1fkd n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fkd n GLY 33 N 1.20 0.85 3.68 6.12 0.00 -0.07 -5.02 105.19 111.95 1fkd n GLY 33 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1fkd n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fkd s LYS 34 N -0.65 4.18 0.03 1.61 1.02 -1.26 -4.72 119.74 119.95 1fkd s LYS 34 Ca 0.00 2.36 -0.29 0.00 0.02 0.00 0.00 55.97 58.06 1fkd s LYS 34 Cb 0.00 -3.79 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 1fkd s LYS 34 CO 0.00 -0.81 0.95 0.21 -0.92 0.00 0.00 175.35 174.78 1fkd s LYS 35 N 3.31 4.60 -0.03 1.68 2.20 -1.26 -1.10 119.74 129.13 1fkd s LYS 35 Ca 0.77 1.39 0.08 0.00 -0.36 0.00 0.00 55.97 57.85 1fkd s LYS 35 Cb -0.39 -3.43 -0.12 0.00 -1.51 0.00 0.00 37.83 32.38 1fkd s LYS 35 CO 0.33 0.06 0.14 1.97 -0.36 0.00 0.00 175.35 177.49 1fkd n PHE 36 N 3.49 0.00 -3.51 4.03 1.16 -0.54 -4.98 117.46 117.11 1fkd n PHE 36 Ca 0.04 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.51 1fkd n PHE 36 Cb 0.50 -0.26 -0.03 0.00 -1.61 0.00 0.00 39.48 38.08 1fkd n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fkd s ASP 37 N -3.29 -0.44 -0.28 5.98 2.15 -1.20 -5.01 116.67 114.59 1fkd s ASP 37 Ca -0.03 0.21 -0.17 0.00 0.43 0.00 0.00 52.55 52.98 1fkd s ASP 37 Cb 0.04 0.41 0.08 0.00 -0.30 0.00 0.00 42.92 43.16 1fkd s ASP 37 CO 0.34 -0.59 0.70 -0.55 -0.17 0.00 0.00 175.17 174.90 1fkd s SER 38 N -1.98 -0.92 0.33 -0.34 0.15 -1.26 -0.37 113.70 109.31 1fkd s SER 38 Ca 0.00 1.51 0.17 0.00 0.70 0.00 0.00 55.95 58.33 1fkd s SER 38 Cb -0.01 1.40 0.43 0.00 -1.71 0.00 0.00 66.02 66.13 1fkd s SER 38 CO -0.04 -0.24 1.61 0.77 1.20 0.00 0.00 173.24 176.54 1fkd h SER 39 N 6.71 0.00 -0.97 5.45 4.64 -1.47 -3.14 113.55 124.77 1fkd h SER 39 Ca -0.30 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.03 1fkd h SER 39 Cb 1.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 1fkd h SER 39 CO 0.14 0.45 0.64 0.03 -0.87 0.00 0.00 176.83 177.23 1fkd h ARG 40 N 0.00 1.28 -0.13 4.77 3.08 -1.84 -1.93 114.38 119.61 1fkd h ARG 40 Ca -0.00 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1fkd h ARG 40 Cb 1.11 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1fkd h ARG 40 CO 0.06 0.85 -0.03 -0.44 -1.07 0.00 0.00 179.97 179.34 1fkd h ASP 41 N 1.32 0.17 0.40 7.04 3.32 -1.90 -2.25 116.42 124.53 1fkd h ASP 41 Ca 0.36 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1fkd h ASP 41 Cb -0.15 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1fkd h ASP 41 CO -0.08 0.24 -0.29 0.54 -1.72 0.00 0.00 179.24 177.94 1fkd n ARG 42 N -4.39 0.48 -2.32 3.56 1.74 -0.79 -4.95 116.66 110.00 1fkd n ARG 42 Ca -0.01 -0.25 -0.20 0.00 -0.77 0.00 0.00 57.85 56.62 1fkd n ARG 42 Cb 0.18 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 1fkd n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1fkd n ASN 43 N -1.04 -5.76 -3.69 0.55 4.13 -0.84 -4.98 115.26 103.63 1fkd n ASN 43 Ca 0.10 0.03 -0.16 0.00 1.68 0.00 0.00 54.58 56.22 1fkd n ASN 43 Cb 0.33 -4.80 -0.16 0.00 -1.54 0.00 0.00 39.78 33.61 1fkd n ASN 43 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1fkd s LYS 44 N -4.90 0.03 0.84 3.52 2.20 -1.13 -5.07 119.74 115.23 1fkd s LYS 44 Ca 0.00 0.49 -0.11 0.00 -0.36 0.00 0.00 55.97 55.99 1fkd s LYS 44 Cb 0.00 -0.28 0.10 0.00 -1.51 0.00 0.00 37.83 36.14 1fkd s LYS 44 CO 0.00 -0.28 1.10 -1.25 -0.36 0.00 0.00 175.35 174.56 1fkd s PRO 45 N 2.01 1.71 -0.15 4.03 0.04 -1.26 -4.70 135.00 136.69 1fkd s PRO 45 Ca 0.00 1.11 -0.07 0.00 0.04 0.00 0.00 61.00 62.09 1fkd s PRO 45 Cb -0.12 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1fkd s PRO 45 CO -0.05 -2.01 0.09 0.12 0.04 0.00 0.00 177.00 175.19 1fkd s PHE 46 N -2.87 3.38 -0.03 0.56 5.36 0.89 -4.91 117.98 120.37 1fkd s PHE 46 Ca 0.63 0.30 0.06 0.00 -0.96 0.00 0.00 56.93 56.95 1fkd s PHE 46 Cb -0.18 -1.99 -0.01 0.00 -0.34 0.00 0.00 43.02 40.50 1fkd s PHE 46 CO 0.57 0.44 -0.20 0.15 -1.46 0.00 0.00 175.22 174.72 1fkd s LYS 47 N -0.36 1.78 0.21 10.12 1.02 -1.26 -0.69 119.74 130.56 1fkd s LYS 47 Ca 0.10 -0.72 -0.20 0.00 0.02 0.00 0.00 55.97 55.17 1fkd s LYS 47 Cb -0.12 -1.65 0.04 0.00 -0.52 0.00 0.00 37.83 35.58 1fkd s LYS 47 CO 0.02 0.39 0.60 -0.59 -0.92 0.00 0.00 175.35 174.84 1fkd s PHE 48 N -0.33 -0.25 0.05 3.18 -0.71 -1.01 -4.98 117.98 113.93 1fkd s PHE 48 Ca 0.04 -0.09 0.09 0.00 -1.04 0.00 0.00 56.93 55.94 1fkd s PHE 48 Cb -0.09 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 1fkd s PHE 48 CO 0.00 -0.99 -0.26 -1.64 -1.34 0.00 0.00 175.22 170.99 1fkd s MET 49 N -3.85 1.78 0.55 1.99 -1.94 -1.26 -0.29 119.30 116.28 1fkd s MET 49 Ca 0.08 -1.12 -0.18 0.00 -1.71 0.00 0.00 55.69 52.76 1fkd s MET 49 Cb -0.02 -1.97 -0.05 0.00 2.01 0.00 0.00 34.83 34.79 1fkd s MET 49 CO -0.03 0.51 1.08 -0.51 -0.01 0.00 0.00 175.02 176.05 1fkd s LEU 50 N -1.26 3.67 0.00 -0.03 1.43 -1.26 -4.14 118.68 117.09 1fkd s LEU 50 Ca 0.12 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1fkd s LEU 50 Cb -0.10 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.56 1fkd s LEU 50 CO 0.02 -1.10 0.00 0.61 0.23 0.00 0.00 176.35 176.11 1fkd n GLY 51 N -0.39 0.50 0.26 -3.19 0.00 -1.26 -3.30 105.19 97.82 1fkd n GLY 51 Ca 0.10 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.05 1fkd n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fkd n LYS 52 N -2.97 0.97 -3.27 1.61 5.02 -1.26 -4.99 118.16 113.27 1fkd n LYS 52 Ca 0.00 -2.26 -0.23 0.00 -2.02 0.00 0.00 58.31 53.80 1fkd n LYS 52 Cb 0.00 -1.23 0.01 0.00 -0.02 0.00 0.00 35.03 33.79 1fkd n LYS 52 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1fkd n GLN 53 N -1.02 -3.89 0.10 1.97 6.02 -1.26 -4.85 117.38 114.45 1fkd n GLN 53 Ca 0.12 0.60 0.12 0.00 -0.01 0.00 0.00 57.00 57.84 1fkd n GLN 53 Cb 0.67 -5.36 0.22 0.00 1.02 0.00 0.00 30.24 26.80 1fkd n GLN 53 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1fkd h GLU 54 N -1.12 0.00 -4.33 -1.09 5.08 -1.94 -3.47 114.58 107.71 1fkd h GLU 54 Ca -0.46 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.75 1fkd h GLU 54 Cb 1.31 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.41 1fkd h GLU 54 CO 0.54 0.00 -0.66 0.14 -1.00 0.00 0.00 179.01 178.03 1fkd s VAL 55 N -3.17 0.16 0.64 3.13 -7.23 -1.26 -5.01 120.40 107.65 1fkd s VAL 55 Ca 0.07 -1.86 -0.18 0.00 -1.81 0.00 0.00 61.98 58.20 1fkd s VAL 55 Cb 0.12 -1.79 -0.01 0.00 0.56 0.00 0.00 36.38 35.26 1fkd s VAL 55 CO 0.69 -0.73 1.28 0.27 -0.31 0.00 0.00 175.10 176.30 1fkd s ILE 56 N -3.98 2.14 0.41 -0.62 -4.36 -1.26 -4.76 121.20 108.75 1fkd s ILE 56 Ca 0.16 0.09 0.14 0.00 -0.26 0.00 0.00 60.65 60.77 1fkd s ILE 56 Cb 0.08 -3.03 0.35 0.00 1.25 0.00 0.00 42.46 41.10 1fkd s ILE 56 CO -0.04 -0.02 1.90 -0.09 0.24 0.00 0.00 174.94 176.94 1fkd h ARG 57 N 0.60 0.48 -0.36 0.37 9.65 -1.90 -0.49 114.38 122.73 1fkd h ARG 57 Ca -0.51 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.34 1fkd h ARG 57 Cb 1.33 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 1fkd h ARG 57 CO 0.53 0.32 0.20 0.78 2.80 0.00 0.00 179.97 184.60 1fkd h GLY 58 N 0.49 0.52 1.08 2.80 0.00 -1.52 -0.37 103.07 106.07 1fkd h GLY 58 Ca 0.39 -0.21 -0.21 0.00 0.00 0.00 0.00 47.33 47.30 1fkd h GLY 58 CO -0.14 0.21 -0.76 1.49 0.00 0.00 0.00 176.54 177.33 1fkd h TRP 59 N 0.49 0.95 -0.77 5.60 4.06 -1.36 -0.50 115.95 124.42 1fkd h TRP 59 Ca 0.13 -0.45 0.04 0.00 2.06 0.00 0.00 58.89 60.67 1fkd h TRP 59 Cb 0.01 -0.13 -0.05 0.00 -1.00 0.00 0.00 29.16 27.99 1fkd h TRP 59 CO 0.00 1.27 0.48 1.49 -3.56 0.00 0.00 178.44 178.12 1fkd h GLU 60 N 0.36 0.90 0.02 0.49 4.57 -0.86 -0.92 114.58 119.13 1fkd h GLU 60 Ca -0.07 -0.05 -0.24 0.00 -1.18 0.00 0.00 59.36 57.81 1fkd h GLU 60 Cb 1.40 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.76 1fkd h GLU 60 CO 0.15 0.60 -1.25 0.93 -1.18 0.00 0.00 179.01 178.26 1fkd h GLU 61 N 0.93 0.03 0.05 1.92 5.08 -1.14 -3.30 114.58 118.15 1fkd h GLU 61 Ca 0.32 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 1fkd h GLU 61 Cb 0.05 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.33 1fkd h GLU 61 CO -0.13 0.88 -0.44 0.78 -1.00 0.00 0.00 179.01 179.10 1fkd h GLY 62 N 2.96 0.23 1.50 -3.84 0.00 -0.80 -3.34 103.07 99.79 1fkd h GLY 62 Ca -0.11 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 1fkd h GLY 62 CO 0.12 0.45 0.12 -2.08 0.00 0.00 0.00 176.54 175.15 1fkd h VAL 63 N -0.53 1.19 0.00 4.60 2.07 -1.37 -2.23 116.25 119.98 1fkd h VAL 63 Ca -0.07 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1fkd h VAL 63 Cb 1.28 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1fkd h VAL 63 CO 0.08 0.24 -0.01 0.00 0.02 0.00 0.00 177.57 177.91 1fkd h ALA 64 N 1.51 1.12 -0.33 1.67 0.00 -1.67 -0.42 119.26 121.13 1fkd h ALA 64 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1fkd h ALA 64 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1fkd h ALA 64 CO -0.01 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1fkd n GLN 65 N -3.26 2.08 -4.09 0.00 6.02 -0.84 -4.60 117.38 112.68 1fkd n GLN 65 Ca -0.03 -1.64 -0.27 0.00 -0.01 0.00 0.00 57.00 55.05 1fkd n GLN 65 Cb 0.10 -1.42 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 1fkd n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1fkd s MET 66 N -1.57 2.83 0.24 -1.09 -1.94 -0.17 -5.12 119.30 112.48 1fkd s MET 66 Ca 0.34 -0.85 0.09 0.00 -1.71 0.00 0.00 55.69 53.55 1fkd s MET 66 Cb 0.19 -2.63 -0.04 0.00 2.01 0.00 0.00 34.83 34.36 1fkd s MET 66 CO 0.26 0.50 0.01 -1.54 -0.01 0.00 0.00 175.02 174.24 1fkd s SER 67 N -2.90 4.66 0.18 3.03 1.04 -1.26 -4.22 113.70 114.22 1fkd s SER 67 Ca 0.30 -0.55 -0.33 0.00 0.48 0.00 0.00 55.95 55.85 1fkd s SER 67 Cb -0.10 -0.92 -0.15 0.00 0.10 0.00 0.00 66.02 64.94 1fkd s SER 67 CO 0.22 0.03 1.33 0.52 0.98 0.00 0.00 173.24 176.32 1fkd n VAL 68 N -0.66 0.65 -0.14 5.02 0.31 -0.74 -1.46 118.33 121.31 1fkd n VAL 68 Ca -0.08 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1fkd n VAL 68 Cb 0.58 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 1fkd n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fkd n GLY 69 N 2.33 1.74 3.77 2.92 0.00 0.88 -1.22 105.19 115.61 1fkd n GLY 69 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1fkd n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fkd s GLN 70 N -0.34 4.12 -0.16 1.61 0.74 -0.53 -4.56 119.66 120.53 1fkd s GLN 70 Ca 0.00 1.83 0.02 0.00 0.05 0.00 0.00 55.36 57.26 1fkd s GLN 70 Cb 0.00 -2.72 0.01 0.00 1.10 0.00 0.00 33.01 31.40 1fkd s GLN 70 CO 0.00 -0.26 -0.20 0.50 -0.55 0.00 0.00 175.29 174.77 1fkd s ARG 71 N -2.23 3.02 0.05 1.67 3.52 -0.26 -1.17 118.95 123.56 1fkd s ARG 71 Ca 0.56 -0.84 -0.01 0.00 -0.13 0.00 0.00 55.73 55.32 1fkd s ARG 71 Cb -0.31 -2.52 -0.04 0.00 -1.56 0.00 0.00 34.95 30.53 1fkd s ARG 71 CO 0.39 -0.12 -0.03 0.00 -0.81 0.00 0.00 175.30 174.72 1fkd s ALA 72 N 1.07 0.54 -0.24 6.12 0.00 -0.06 -0.24 121.76 128.95 1fkd s ALA 72 Ca -0.01 -1.19 -0.12 0.00 0.00 0.00 0.00 51.96 50.65 1fkd s ALA 72 Cb -0.14 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1fkd s ALA 72 CO -0.08 -0.34 0.21 0.21 0.00 0.00 0.00 175.76 175.76 1fkd s LYS 73 N -3.75 4.06 -0.27 0.00 2.20 0.84 -0.35 119.74 122.46 1fkd s LYS 73 Ca 0.06 -0.20 -0.10 0.00 -0.36 0.00 0.00 55.97 55.37 1fkd s LYS 73 Cb 0.06 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1fkd s LYS 73 CO -0.09 -0.02 0.15 -0.51 -0.36 0.00 0.00 175.35 174.52 1fkd s LEU 74 N 1.29 3.85 -0.25 5.43 1.43 0.58 -1.51 118.68 129.50 1fkd s LEU 74 Ca 0.09 -0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 52.99 1fkd s LEU 74 Cb -0.14 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1fkd s LEU 74 CO 0.07 -0.06 0.09 -0.89 0.23 0.00 0.00 176.35 175.79 1fkd s THR 75 N 1.70 4.52 -0.13 5.49 2.01 -0.47 -1.22 115.64 127.54 1fkd s THR 75 Ca 0.07 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1fkd s THR 75 Cb -0.16 -3.12 0.01 0.00 0.01 0.00 0.00 72.50 69.24 1fkd s THR 75 CO 0.08 0.33 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.49 1fkd s ILE 76 N 1.57 2.11 0.71 1.82 1.01 0.35 -1.37 121.20 127.41 1fkd s ILE 76 Ca 0.06 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 59.61 1fkd s ILE 76 Cb -0.15 -1.84 0.02 0.00 0.01 0.00 0.00 42.46 40.50 1fkd s ILE 76 CO 0.05 0.55 1.11 -0.94 0.00 0.00 0.00 174.94 175.70 1fkd s SER 77 N 0.72 4.82 0.26 3.58 1.04 -0.48 -1.17 113.70 122.47 1fkd s SER 77 Ca -0.09 1.94 -0.02 0.00 0.48 0.00 0.00 55.95 58.26 1fkd s SER 77 Cb -0.16 -2.54 0.50 0.00 0.10 0.00 0.00 66.02 63.92 1fkd s SER 77 CO 0.00 -1.82 1.77 -0.65 0.98 0.00 0.00 173.24 173.52 1fkd h PRO 78 N -0.45 0.61 0.00 4.02 0.11 -1.89 -0.04 132.00 134.35 1fkd h PRO 78 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1fkd h PRO 78 Cb 1.24 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1fkd h PRO 78 CO 0.53 0.40 -0.01 0.22 -0.21 0.00 0.00 178.00 178.93 1fkd h ASP 79 N 0.63 0.00 -0.58 -2.05 3.58 -1.90 0.14 116.42 116.24 1fkd h ASP 79 Ca 0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.89 1fkd h ASP 79 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1fkd h ASP 79 CO -0.35 0.01 0.00 -1.22 -2.88 0.00 0.00 179.24 174.81 1fkd n TYR 80 N -3.14 0.77 0.00 0.28 4.02 -0.04 -4.78 117.16 114.27 1fkd n TYR 80 Ca -0.01 -0.39 0.00 0.00 -0.01 0.00 0.00 57.90 57.50 1fkd n TYR 80 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 1fkd n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fkd n ALA 81 N 1.22 0.00 -0.45 -0.72 0.00 -0.13 -1.24 120.51 119.19 1fkd n ALA 81 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.71 1fkd n ALA 81 Cb 0.50 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.19 1fkd n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fkd n TYR 82 N 0.00 0.85 -2.33 0.00 4.01 -1.05 -4.91 117.16 113.73 1fkd n TYR 82 Ca 0.00 -0.59 0.00 0.00 -0.16 0.00 0.00 57.90 57.15 1fkd n TYR 82 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 1fkd n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fkd n GLY 83 N 0.61 1.96 0.07 2.72 0.00 0.31 -1.27 105.19 109.59 1fkd n GLY 83 Ca 0.18 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.97 1fkd n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fkd n ALA 84 N 6.63 1.94 -0.07 4.61 0.00 -1.26 -1.17 120.51 131.20 1fkd n ALA 84 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.26 1fkd n ALA 84 Cb 0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 19.45 17.93 1fkd n ALA 84 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1fkd h THR 85 N 0.00 1.46 0.00 0.00 2.02 -1.83 -3.38 112.91 111.18 1fkd h THR 85 Ca 0.00 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.87 1fkd h THR 85 Cb 0.46 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 1fkd h THR 85 CO 0.00 0.53 0.00 0.61 0.37 0.00 0.00 175.52 177.03 1fkd n GLY 86 N 1.57 -1.79 3.04 2.16 0.00 -0.40 -4.05 105.19 105.72 1fkd n GLY 86 Ca -0.18 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 1fkd n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fkd s HIS 87 N 0.00 2.11 -0.41 1.61 2.46 -0.46 -4.88 115.29 115.72 1fkd s HIS 87 Ca 0.00 -1.10 -0.43 0.00 0.47 0.00 0.00 55.06 54.01 1fkd s HIS 87 Cb 0.00 -1.53 -0.17 0.00 -0.13 0.00 0.00 32.58 30.75 1fkd s HIS 87 CO 0.00 -0.58 1.85 -0.35 -2.47 0.00 0.00 174.74 173.19 1fkd n PRO 88 N 4.49 0.52 -1.15 2.88 -0.04 -1.26 -0.99 135.00 139.46 1fkd n PRO 88 Ca -0.18 0.18 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1fkd n PRO 88 Cb 0.51 -1.83 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 1fkd n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fkd n GLY 89 N 5.20 0.54 0.92 0.55 0.00 -1.26 -4.74 105.19 106.40 1fkd n GLY 89 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1fkd n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fkd n ILE 90 N -2.20 0.00 -4.87 -0.61 2.08 -0.16 -5.05 119.36 108.55 1fkd n ILE 90 Ca -0.05 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 62.95 1fkd n ILE 90 Cb 0.49 -1.25 -0.17 0.00 -0.75 0.00 0.00 39.64 37.96 1fkd n ILE 90 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1fkd s ILE 91 N -1.98 1.86 0.77 1.39 1.01 -0.46 -4.97 121.20 118.80 1fkd s ILE 91 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.65 1fkd s ILE 91 Cb 0.00 -1.63 0.05 0.00 0.01 0.00 0.00 42.46 40.89 1fkd s ILE 91 CO 0.00 0.51 1.10 -2.16 0.00 0.00 0.00 174.94 174.39 1fkd s PRO 92 N 0.61 2.34 0.35 2.79 0.04 -1.26 -1.35 135.00 138.52 1fkd s PRO 92 Ca -0.13 0.56 -0.27 0.00 0.04 0.00 0.00 61.00 61.19 1fkd s PRO 92 Cb -0.17 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.30 1fkd s PRO 92 CO 0.04 -1.42 1.20 -2.30 0.04 0.00 0.00 177.00 174.55 1fkd n PRO 93 N -3.28 1.85 -3.42 0.56 -0.02 -1.26 -3.45 135.00 125.98 1fkd n PRO 93 Ca 0.07 0.65 -0.21 0.00 -2.02 0.00 0.00 63.50 61.99 1fkd n PRO 93 Cb 0.57 -2.20 0.07 0.00 -0.02 0.00 0.00 33.50 31.91 1fkd n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1fkd n HIS 94 N 0.15 -2.48 -3.56 6.00 8.25 -0.32 -4.95 115.22 118.32 1fkd n HIS 94 Ca 0.06 0.86 -0.37 0.00 -0.26 0.00 0.00 57.72 58.01 1fkd n HIS 94 Cb 0.36 -4.52 -0.07 0.00 1.12 0.00 0.00 29.99 26.88 1fkd n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fkd s ALA 95 N -3.27 3.65 -0.04 -1.41 0.00 -1.22 -4.86 121.76 114.61 1fkd s ALA 95 Ca 0.50 -0.41 -0.23 0.00 0.00 0.00 0.00 51.96 51.81 1fkd s ALA 95 Cb -0.22 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 1fkd s ALA 95 CO 0.62 0.25 0.70 0.99 0.00 0.00 0.00 175.76 178.31 1fkd s THR 96 N -0.08 4.97 0.08 0.00 2.01 -1.26 -3.87 115.64 117.49 1fkd s THR 96 Ca 0.18 1.45 0.03 0.00 0.31 0.00 0.00 61.69 63.66 1fkd s THR 96 Cb -0.14 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1fkd s THR 96 CO 0.06 0.30 0.10 -0.76 -0.69 0.00 0.00 174.62 173.63 1fkd s LEU 97 N 0.51 3.90 -0.13 4.42 1.43 -0.32 -3.95 118.68 124.53 1fkd s LEU 97 Ca 0.37 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 1fkd s LEU 97 Cb -0.18 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.49 1fkd s LEU 97 CO 0.19 0.17 -0.19 -0.69 0.23 0.00 0.00 176.35 176.06 1fkd s VAL 98 N -1.42 1.80 -0.07 -1.59 1.01 0.16 -0.50 120.40 119.79 1fkd s VAL 98 Ca 0.30 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1fkd s VAL 98 Cb -0.12 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1fkd s VAL 98 CO 0.23 0.50 -0.24 -0.36 0.00 0.00 0.00 175.10 175.23 1fkd s PHE 99 N 0.96 2.42 -0.36 5.22 0.40 -0.36 -0.49 117.98 125.77 1fkd s PHE 99 Ca -0.05 -0.79 -0.17 0.00 -0.60 0.00 0.00 56.93 55.31 1fkd s PHE 99 Cb -0.15 -1.60 -0.00 0.00 0.51 0.00 0.00 43.02 41.78 1fkd s PHE 99 CO -0.03 -0.27 0.47 0.34 0.70 0.00 0.00 175.22 176.44 1fkd s ASP 100 N -0.02 6.27 -0.01 1.36 -1.08 -0.05 -0.31 116.67 122.83 1fkd s ASP 100 Ca -0.08 -0.17 0.07 0.00 -0.52 0.00 0.00 52.55 51.86 1fkd s ASP 100 Cb -0.15 -2.25 -0.02 0.00 -1.46 0.00 0.00 42.92 39.05 1fkd s ASP 100 CO 0.05 -0.47 -0.24 -0.69 0.52 0.00 0.00 175.17 174.34 1fkd s VAL 101 N 2.29 1.90 -0.14 1.11 1.01 0.52 -1.45 120.40 125.64 1fkd s VAL 101 Ca 0.16 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1fkd s VAL 101 Cb -0.16 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1fkd s VAL 101 CO 0.13 0.52 -0.21 -0.70 0.00 0.00 0.00 175.10 174.83 1fkd s GLU 102 N -0.62 2.97 -0.59 2.72 2.12 0.14 -0.88 118.70 124.55 1fkd s GLU 102 Ca 0.09 -0.83 -0.23 0.00 0.36 0.00 0.00 54.97 54.36 1fkd s GLU 102 Cb -0.09 -2.41 0.06 0.00 0.26 0.00 0.00 34.13 31.94 1fkd s GLU 102 CO -0.01 -0.03 0.89 -1.17 -0.54 0.00 0.00 175.26 174.40 1fkd s LEU 103 N 0.87 4.40 -0.01 2.70 2.96 -0.31 -2.12 118.68 127.17 1fkd s LEU 103 Ca -0.06 -0.74 -0.22 0.00 -0.22 0.00 0.00 54.13 52.90 1fkd s LEU 103 Cb -0.15 -2.58 -0.21 0.00 0.50 0.00 0.00 46.19 43.74 1fkd s LEU 103 CO -0.03 -1.26 1.13 -0.07 -1.32 0.00 0.00 176.35 174.80 1fkd h LEU 104 N 10.89 0.37 -7.26 -0.68 3.38 -1.28 0.25 115.31 120.98 1fkd h LEU 104 Ca -0.28 -0.70 0.18 0.00 0.09 0.00 0.00 57.88 57.17 1fkd h LEU 104 Cb 1.08 -0.11 -0.13 0.00 0.09 0.00 0.00 40.66 41.59 1fkd h LEU 104 CO 1.11 1.02 0.57 -1.59 0.09 0.00 0.00 178.44 179.64 1fkd s LYS 105 N -3.43 0.84 -0.05 1.13 -2.85 -1.18 -4.54 119.74 109.66 1fkd s LYS 105 Ca -0.14 -0.39 0.06 0.00 -1.00 0.00 0.00 55.97 54.50 1fkd s LYS 105 Cb 0.03 0.33 -0.01 0.00 -2.06 0.00 0.00 37.83 36.11 1fkd s LYS 105 CO 0.77 -0.38 -0.25 -0.51 0.10 0.00 0.00 175.35 175.09 1fkd s LEU 106 N -2.67 2.10 0.00 2.77 1.43 -1.26 -1.05 118.68 119.99 1fkd s LEU 106 Ca 0.09 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1fkd s LEU 106 Cb -0.00 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1fkd s LEU 106 CO -0.04 0.27 0.00 -1.84 0.23 0.00 0.00 176.35 174.97