#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fkr s VAL 2 N 0.00 3.26 0.16 1.61 0.11 -1.26 -3.57 120.40 120.71 1fkr s VAL 2 Ca 0.00 -1.33 0.11 0.00 -2.93 0.00 0.00 61.98 57.83 1fkr s VAL 2 Cb 0.00 -2.52 -0.04 0.00 -1.53 0.00 0.00 36.38 32.29 1fkr s VAL 2 CO 0.00 0.10 -0.24 -1.58 -3.33 0.00 0.00 175.10 170.05 1fkr s GLN 3 N -2.21 1.41 -0.21 1.54 2.00 -0.75 -4.98 119.66 116.47 1fkr s GLN 3 Ca 0.21 -1.42 0.00 0.00 -2.00 0.00 0.00 55.36 52.15 1fkr s GLN 3 Cb -0.11 -1.76 0.05 0.00 0.80 0.00 0.00 33.01 32.00 1fkr s GLN 3 CO 0.13 0.39 -0.06 0.08 -0.50 0.00 0.00 175.29 175.33 1fkr s VAL 4 N -1.48 1.40 -0.50 1.34 1.01 -1.26 -2.41 120.40 118.50 1fkr s VAL 4 Ca 0.17 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 1fkr s VAL 4 Cb -0.08 -1.61 0.13 0.00 0.00 0.00 0.00 36.38 34.81 1fkr s VAL 4 CO 0.08 0.01 0.30 -0.70 0.00 0.00 0.00 175.10 174.79 1fkr s GLU 5 N 1.48 2.22 0.69 2.72 -6.30 -0.78 -4.99 118.70 113.74 1fkr s GLU 5 Ca -0.03 -2.12 -0.14 0.00 -2.50 0.00 0.00 54.97 50.19 1fkr s GLU 5 Cb -0.17 -3.64 0.02 0.00 0.00 0.00 0.00 34.13 30.34 1fkr s GLU 5 CO -0.07 -1.11 1.10 0.99 0.02 0.00 0.00 175.26 176.19 1fkr s THR 6 N 0.63 3.28 0.06 -1.70 2.01 -1.26 -1.15 115.64 117.51 1fkr s THR 6 Ca 0.12 0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.66 1fkr s THR 6 Cb -0.22 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.24 1fkr s THR 6 CO -0.04 -0.43 0.00 -0.38 -0.69 0.00 0.00 174.62 173.09 1fkr n ILE 7 N -2.76 0.59 -3.80 1.82 5.41 -0.26 -4.86 119.36 115.51 1fkr n ILE 7 Ca 0.10 0.20 -0.28 0.00 1.00 0.00 0.00 62.75 63.76 1fkr n ILE 7 Cb 0.52 -1.49 -0.12 0.00 -0.71 0.00 0.00 39.64 37.85 1fkr n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1fkr s SER 8 N -5.48 4.08 0.80 4.38 0.01 -1.05 -5.00 113.70 111.43 1fkr s SER 8 Ca 0.00 -3.49 -0.17 0.00 1.31 0.00 0.00 55.95 53.59 1fkr s SER 8 Cb 0.00 -1.38 -0.14 0.00 0.21 0.00 0.00 66.02 64.72 1fkr s SER 8 CO 0.00 -0.14 -0.90 -2.65 0.41 0.00 0.00 173.24 169.96 1fkr n PRO 9 N 2.42 0.00 -3.54 12.44 -0.02 -1.26 -2.23 135.00 142.82 1fkr n PRO 9 Ca 0.18 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.45 1fkr n PRO 9 Cb 0.37 -0.80 -0.02 0.00 -0.02 0.00 0.00 33.50 33.03 1fkr n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fkr n GLY 10 N 2.79 3.28 0.42 -1.23 0.00 -1.26 -4.38 105.19 104.81 1fkr n GLY 10 Ca -0.02 -2.29 -0.10 0.00 0.00 0.00 0.00 46.02 43.61 1fkr n GLY 10 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1fkr h ASP 11 N 0.67 -1.86 0.00 1.61 2.03 -1.86 -3.46 116.42 113.55 1fkr h ASP 11 Ca -0.28 0.29 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1fkr h ASP 11 Cb 0.91 0.83 0.00 0.00 -0.83 0.00 0.00 39.33 40.24 1fkr h ASP 11 CO 0.45 -0.30 0.00 0.61 -1.03 0.00 0.00 179.24 178.96 1fkr n GLY 12 N -1.34 1.71 0.00 7.15 0.00 -1.26 -4.99 105.19 106.46 1fkr n GLY 12 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1fkr n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fkr n ARG 13 N -0.82 0.73 -4.59 1.61 1.74 -1.26 -5.08 116.66 108.99 1fkr n ARG 13 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 1fkr n ARG 13 Cb 0.00 -0.66 -0.13 0.00 -1.02 0.00 0.00 32.46 30.65 1fkr n ARG 13 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1fkr s THR 14 N -1.32 3.48 0.35 0.55 2.01 -1.26 -5.08 115.64 114.37 1fkr s THR 14 Ca 0.00 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1fkr s THR 14 Cb 0.00 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1fkr s THR 14 CO 0.00 0.51 0.10 -0.36 -0.69 0.00 0.00 174.62 174.18 1fkr s PHE 15 N 0.30 1.80 0.57 4.92 0.40 -1.26 -0.99 117.98 123.72 1fkr s PHE 15 Ca -0.07 -1.14 -0.19 0.00 -0.60 0.00 0.00 56.93 54.93 1fkr s PHE 15 Cb -0.15 -1.15 -0.05 0.00 0.51 0.00 0.00 43.02 42.19 1fkr s PHE 15 CO 0.04 -0.20 1.16 -2.14 0.70 0.00 0.00 175.22 174.78 1fkr s PRO 16 N -3.84 3.17 0.41 0.24 0.02 -1.26 -4.89 135.00 128.85 1fkr s PRO 16 Ca 0.32 1.69 0.06 0.00 0.02 0.00 0.00 61.00 63.08 1fkr s PRO 16 Cb 0.06 -1.97 -0.07 0.00 0.02 0.00 0.00 34.50 32.54 1fkr s PRO 16 CO 0.15 -1.01 0.02 0.15 -0.33 0.00 0.00 177.00 175.98 1fkr s LYS 17 N -3.34 1.93 -0.75 5.54 1.02 -1.26 -5.02 119.74 117.86 1fkr s LYS 17 Ca 0.74 -2.11 -0.26 0.00 0.02 0.00 0.00 55.97 54.36 1fkr s LYS 17 Cb -0.26 -1.47 0.02 0.00 -0.52 0.00 0.00 37.83 35.60 1fkr s LYS 17 CO 0.30 -0.12 1.44 0.50 -0.92 0.00 0.00 175.35 176.55 1fkr s ARG 18 N -3.76 3.09 0.00 1.68 3.52 -1.26 -2.29 118.95 119.93 1fkr s ARG 18 Ca 0.32 -0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 1fkr s ARG 18 Cb 0.09 -4.38 0.00 0.00 -1.56 0.00 0.00 34.95 29.09 1fkr s ARG 18 CO 0.16 -2.32 0.00 0.41 -0.81 0.00 0.00 175.30 172.74 1fkr n GLY 19 N 5.66 0.77 3.77 8.12 0.00 -1.26 -5.10 105.19 117.16 1fkr n GLY 19 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1fkr n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fkr s GLN 20 N 0.00 2.20 -0.22 1.61 -1.52 -0.97 -5.06 119.66 115.70 1fkr s GLN 20 Ca 0.00 -2.04 0.01 0.00 -1.95 0.00 0.00 55.36 51.38 1fkr s GLN 20 Cb 0.00 -1.87 0.05 0.00 -0.22 0.00 0.00 33.01 30.97 1fkr s GLN 20 CO 0.00 -0.28 -0.08 0.99 -0.25 0.00 0.00 175.29 175.67 1fkr s THR 21 N -2.71 1.62 0.45 -0.19 2.01 -1.26 -3.75 115.64 111.80 1fkr s THR 21 Ca 0.31 -1.15 -0.23 0.00 0.31 0.00 0.00 61.69 60.92 1fkr s THR 21 Cb 0.03 -1.79 -0.08 0.00 0.01 0.00 0.00 72.50 70.67 1fkr s THR 21 CO 0.17 0.02 1.17 0.00 -0.69 0.00 0.00 174.62 175.30 1fkr s VAL 23 N -1.51 2.53 0.16 0.00 1.01 0.95 -2.05 120.40 121.48 1fkr s VAL 23 Ca 0.62 -2.06 0.09 0.00 0.00 0.00 0.00 61.98 60.62 1fkr s VAL 23 Cb -0.29 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1fkr s VAL 23 CO 0.36 -0.46 -0.20 0.68 0.00 0.00 0.00 175.10 175.48 1fkr s VAL 24 N 1.02 1.90 -0.14 2.92 -7.23 -0.80 0.14 120.40 118.21 1fkr s VAL 24 Ca 0.05 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.35 1fkr s VAL 24 Cb -0.20 -1.84 0.04 0.00 0.56 0.00 0.00 36.38 34.94 1fkr s VAL 24 CO -0.06 -0.22 -0.04 -2.28 -0.31 0.00 0.00 175.10 172.19 1fkr s HIS 25 N -1.79 1.35 0.38 2.82 2.46 -1.04 -1.16 115.29 118.31 1fkr s HIS 25 Ca 0.15 -0.78 0.04 0.00 0.47 0.00 0.00 55.06 54.94 1fkr s HIS 25 Cb -0.07 -1.15 -0.03 0.00 -0.13 0.00 0.00 32.58 31.20 1fkr s HIS 25 CO 0.07 -0.53 0.15 1.52 -2.47 0.00 0.00 174.74 173.48 1fkr s TYR 26 N 1.75 1.76 -0.05 3.88 -0.85 -1.26 -1.80 117.35 120.78 1fkr s TYR 26 Ca 0.03 -1.34 -0.00 0.00 -0.52 0.00 0.00 57.07 55.23 1fkr s TYR 26 Cb -0.14 -1.06 0.03 0.00 0.38 0.00 0.00 41.96 41.17 1fkr s TYR 26 CO -0.07 -0.40 -0.00 0.99 -1.52 0.00 0.00 175.55 174.54 1fkr s THR 27 N -3.30 0.31 -0.28 -3.49 2.01 -1.10 -3.16 115.64 106.62 1fkr s THR 27 Ca 0.28 0.10 -0.07 0.00 0.31 0.00 0.00 61.69 62.31 1fkr s THR 27 Cb 0.03 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1fkr s THR 27 CO 0.17 0.22 0.07 -0.83 -0.69 0.00 0.00 174.62 173.56 1fkr s GLY 28 N 1.54 1.77 0.46 4.40 0.00 0.89 -2.07 107.32 114.31 1fkr s GLY 28 Ca -0.02 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.35 1fkr s GLY 28 CO -0.03 0.61 0.07 1.06 0.00 0.00 0.00 173.10 174.81 1fkr s MET 29 N 1.52 2.08 0.40 2.90 -1.94 -0.35 -2.73 119.30 121.18 1fkr s MET 29 Ca 0.04 -2.30 0.05 0.00 -1.71 0.00 0.00 55.69 51.76 1fkr s MET 29 Cb -0.17 -1.05 -0.06 0.00 2.01 0.00 0.00 34.83 35.56 1fkr s MET 29 CO 0.02 -0.44 0.03 -0.51 -0.01 0.00 0.00 175.02 174.12 1fkr s LEU 30 N -3.75 2.50 0.07 -0.03 1.43 -0.98 -1.55 118.68 116.37 1fkr s LEU 30 Ca 0.14 -1.45 -0.13 0.00 -1.03 0.00 0.00 54.13 51.66 1fkr s LEU 30 Cb 0.02 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.55 1fkr s LEU 30 CO 0.09 -0.61 0.71 -0.62 0.23 0.00 0.00 176.35 176.15 1fkr n GLU 31 N -0.94 -0.19 -2.66 1.70 1.02 -1.26 -3.79 120.64 114.53 1fkr n GLU 31 Ca -0.07 0.70 -0.03 0.00 -0.02 0.00 0.00 57.16 57.74 1fkr n GLU 31 Cb 0.67 -1.03 0.12 0.00 -0.02 0.00 0.00 31.44 31.18 1fkr n GLU 31 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1fkr n ASP 32 N -4.36 -1.56 0.00 1.62 5.75 -1.26 -5.05 116.55 111.68 1fkr n ASP 32 Ca 0.01 -2.26 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 1fkr n ASP 32 Cb 0.11 0.77 0.00 0.00 -1.03 0.00 0.00 41.12 40.97 1fkr n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fkr n GLY 33 N -1.26 0.22 0.00 6.12 0.00 -1.25 -5.17 105.19 103.85 1fkr n GLY 33 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1fkr n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1fkr n LYS 34 N -1.04 0.00 -3.32 1.61 2.85 -1.26 -4.96 118.16 112.04 1fkr n LYS 34 Ca 0.00 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.88 1fkr n LYS 34 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 1fkr n LYS 34 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1fkr s LYS 35 N -1.62 4.24 0.00 -1.58 -2.85 -1.26 -2.31 119.74 114.36 1fkr s LYS 35 Ca 0.00 0.54 0.00 0.00 -1.00 0.00 0.00 55.97 55.51 1fkr s LYS 35 Cb 0.00 -3.36 0.00 0.00 -2.06 0.00 0.00 37.83 32.41 1fkr s LYS 35 CO 0.00 0.35 0.00 1.97 0.10 0.00 0.00 175.35 177.77 1fkr n PHE 36 N 2.94 0.00 -3.42 1.78 -1.74 -1.11 -4.91 117.46 111.00 1fkr n PHE 36 Ca -0.08 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.54 1fkr n PHE 36 Cb 0.52 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.43 1fkr n PHE 36 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1fkr n ASP 37 N -2.11 1.18 -4.47 5.98 9.92 -1.22 -4.97 116.55 120.87 1fkr n ASP 37 Ca 0.00 -2.84 -0.36 0.00 -0.53 0.00 0.00 54.79 51.06 1fkr n ASP 37 Cb 0.41 -0.64 -0.12 0.00 -0.64 0.00 0.00 41.12 40.12 1fkr n ASP 37 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1fkr s SER 38 N -1.12 5.21 -0.76 -2.24 0.01 -1.26 -0.08 113.70 113.46 1fkr s SER 38 Ca 0.34 -0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.46 1fkr s SER 38 Cb 0.09 -1.93 0.30 0.00 0.21 0.00 0.00 66.02 64.69 1fkr s SER 38 CO -0.13 -0.00 1.12 -1.54 0.41 0.00 0.00 173.24 173.10 1fkr n SER 39 N 4.72 5.07 0.00 2.44 3.41 -1.19 -4.76 113.62 123.31 1fkr n SER 39 Ca -0.16 -3.56 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 1fkr n SER 39 Cb 0.52 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1fkr n SER 39 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1fkr n ARG 40 N 0.42 0.00 -0.26 4.33 3.00 -1.26 -4.40 116.66 118.49 1fkr n ARG 40 Ca 0.32 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 58.24 1fkr n ARG 40 Cb 0.36 -0.07 0.19 0.00 0.00 0.00 0.00 32.46 32.94 1fkr n ARG 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1fkr n ASP 41 N -2.21 2.47 0.00 6.15 9.92 -1.26 -4.43 116.55 127.19 1fkr n ASP 41 Ca 0.00 -2.09 0.00 0.00 -0.53 0.00 0.00 54.79 52.17 1fkr n ASP 41 Cb 0.00 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.15 1fkr n ASP 41 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1fkr n ARG 42 N 0.65 0.00 -2.90 -1.24 5.12 -1.26 -4.88 116.66 112.15 1fkr n ARG 42 Ca 0.14 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.72 1fkr n ARG 42 Cb 0.42 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.71 1fkr n ARG 42 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1fkr n ASN 43 N 0.00 5.63 -0.85 0.55 4.13 -1.26 -5.07 115.26 118.39 1fkr n ASN 43 Ca 0.00 -3.63 0.10 0.00 1.68 0.00 0.00 54.58 52.73 1fkr n ASN 43 Cb 0.00 -0.87 -0.02 0.00 -1.54 0.00 0.00 39.78 37.35 1fkr n ASN 43 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1fkr n LYS 44 N 0.13 -1.46 0.00 3.52 5.02 -1.26 -4.72 118.16 119.39 1fkr n LYS 44 Ca 0.36 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.61 1fkr n LYS 44 Cb 0.34 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1fkr n LYS 44 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1fkr n PRO 45 N -2.52 0.60 -4.40 1.97 -0.02 -1.26 -4.66 135.00 124.71 1fkr n PRO 45 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.27 1fkr n PRO 45 Cb 0.33 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.71 1fkr n PRO 45 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1fkr s PHE 46 N -0.13 2.00 -0.12 6.00 5.36 -0.31 -5.03 117.98 125.74 1fkr s PHE 46 Ca 0.00 -0.45 -0.04 0.00 -0.96 0.00 0.00 56.93 55.48 1fkr s PHE 46 Cb 0.00 -0.91 0.06 0.00 -0.34 0.00 0.00 43.02 41.83 1fkr s PHE 46 CO 0.00 0.52 0.17 0.15 -1.46 0.00 0.00 175.22 174.60 1fkr s LYS 47 N -3.45 0.07 0.19 10.12 1.02 -1.26 -1.91 119.74 124.52 1fkr s LYS 47 Ca 0.25 0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.68 1fkr s LYS 47 Cb -0.03 -0.59 -0.04 0.00 -0.52 0.00 0.00 37.83 36.64 1fkr s LYS 47 CO 0.10 -0.41 0.07 -0.59 -0.92 0.00 0.00 175.35 173.60 1fkr s PHE 48 N 2.29 1.20 0.04 3.18 -0.71 -0.87 -4.95 117.98 118.16 1fkr s PHE 48 Ca 0.04 -1.19 0.08 0.00 -1.04 0.00 0.00 56.93 54.81 1fkr s PHE 48 Cb -0.13 -0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 40.98 1fkr s PHE 48 CO -0.07 -0.41 -0.21 1.41 -1.34 0.00 0.00 175.22 174.59 1fkr s MET 49 N -4.03 1.99 -0.04 1.99 1.75 -1.26 0.51 119.30 120.21 1fkr s MET 49 Ca 0.31 -1.02 -0.18 0.00 -1.25 0.00 0.00 55.69 53.55 1fkr s MET 49 Cb 0.07 -2.12 -0.05 0.00 2.84 0.00 0.00 34.83 35.57 1fkr s MET 49 CO 0.08 0.53 0.51 -1.17 -0.65 0.00 0.00 175.02 174.32 1fkr s LEU 50 N -1.33 4.39 0.00 4.11 2.96 -1.25 -4.31 118.68 123.25 1fkr s LEU 50 Ca 0.13 1.01 0.00 0.00 -0.22 0.00 0.00 54.13 55.05 1fkr s LEU 50 Cb -0.10 -2.77 0.00 0.00 0.50 0.00 0.00 46.19 43.81 1fkr s LEU 50 CO 0.04 0.12 0.00 0.61 -1.32 0.00 0.00 176.35 175.80 1fkr n GLY 51 N 2.57 2.47 2.29 7.98 0.00 -1.26 -4.07 105.19 115.17 1fkr n GLY 51 Ca -0.09 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 1fkr n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fkr n LYS 52 N 0.00 3.27 -0.79 1.61 4.81 -1.26 -4.99 118.16 120.80 1fkr n LYS 52 Ca 0.00 -4.20 0.00 0.00 -0.87 0.00 0.00 58.31 53.24 1fkr n LYS 52 Cb 0.00 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 32.89 1fkr n LYS 52 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1fkr n GLN 53 N -0.58 -0.23 0.24 1.64 6.02 -1.26 -4.64 117.38 118.57 1fkr n GLN 53 Ca 0.37 -0.10 0.17 0.00 -0.01 0.00 0.00 57.00 57.43 1fkr n GLN 53 Cb 0.83 0.18 0.81 0.00 1.02 0.00 0.00 30.24 33.08 1fkr n GLN 53 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1fkr h GLU 54 N 0.63 0.00 -6.22 -1.09 5.08 -1.95 -3.42 114.58 107.61 1fkr h GLU 54 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 1fkr h GLU 54 Cb 0.00 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.12 1fkr h GLU 54 CO 0.00 0.00 -0.72 0.14 -1.00 0.00 0.00 179.01 177.43 1fkr s VAL 55 N -3.74 2.81 1.09 3.13 -7.23 -1.26 -5.12 120.40 110.08 1fkr s VAL 55 Ca -0.01 -2.23 -0.15 0.00 -1.81 0.00 0.00 61.98 57.78 1fkr s VAL 55 Cb 0.10 -2.48 0.20 0.00 0.56 0.00 0.00 36.38 34.75 1fkr s VAL 55 CO 0.37 -0.38 0.39 2.30 -0.31 0.00 0.00 175.10 177.47 1fkr n ILE 56 N -0.68 0.00 0.08 -0.62 -5.35 -1.26 -4.69 119.36 106.84 1fkr n ILE 56 Ca -0.06 -0.06 -0.06 0.00 -0.27 0.00 0.00 62.75 62.31 1fkr n ILE 56 Cb 0.59 -0.58 -0.03 0.00 -1.74 0.00 0.00 39.64 37.89 1fkr n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1fkr h ARG 57 N -2.79 -0.29 -0.64 6.28 2.43 -1.66 -3.02 114.38 114.68 1fkr h ARG 57 Ca -0.29 0.02 0.21 0.00 -0.81 0.00 0.00 59.98 59.11 1fkr h ARG 57 Cb 0.90 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.46 1fkr h ARG 57 CO 0.19 -0.13 0.42 0.41 -1.51 0.00 0.00 179.97 179.35 1fkr n GLY 58 N 0.95 -0.37 0.00 2.80 0.00 -1.16 0.45 105.19 107.86 1fkr n GLY 58 Ca -0.05 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1fkr n GLY 58 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fkr n TRP 59 N -3.39 0.00 -0.05 1.61 7.02 -1.24 -1.16 117.44 120.24 1fkr n TRP 59 Ca 0.18 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.65 1fkr n TRP 59 Cb 0.71 -0.30 -0.00 0.00 -2.42 0.00 0.00 31.31 29.30 1fkr n TRP 59 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1fkr n GLU 60 N -1.51 -0.04 -0.05 -0.99 2.13 0.17 0.26 120.64 120.62 1fkr n GLU 60 Ca 0.00 0.18 -0.11 0.00 0.66 0.00 0.00 57.16 57.89 1fkr n GLU 60 Cb 0.00 -0.27 -0.10 0.00 0.27 0.00 0.00 31.44 31.34 1fkr n GLU 60 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1fkr h GLU 61 N 0.00 -0.03 0.00 5.31 4.81 -1.37 -2.63 114.58 120.67 1fkr h GLU 61 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1fkr h GLU 61 Cb 0.06 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1fkr h GLU 61 CO -0.12 0.69 0.00 0.41 -0.73 0.00 0.00 179.01 179.26 1fkr n GLY 62 N 1.38 -3.03 0.30 1.92 0.00 0.72 -1.15 105.19 105.33 1fkr n GLY 62 Ca -0.08 0.35 0.01 0.00 0.00 0.00 0.00 46.02 46.30 1fkr n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fkr h VAL 63 N 0.00 0.19 -0.44 1.61 2.07 0.27 -1.27 116.25 118.69 1fkr h VAL 63 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1fkr h VAL 63 Cb 0.00 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 29.89 1fkr h VAL 63 CO 0.00 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 177.16 1fkr h ALA 64 N 1.70 -0.60 0.00 1.67 0.00 -1.10 0.55 119.26 121.48 1fkr h ALA 64 Ca 0.36 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1fkr h ALA 64 Cb 0.58 1.10 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1fkr h ALA 64 CO -0.81 -0.84 0.49 0.94 0.00 0.00 0.00 179.25 179.04 1fkr n GLN 65 N -4.73 0.04 -3.80 0.00 7.27 -0.30 -4.42 117.38 111.44 1fkr n GLN 65 Ca -0.02 0.45 -0.23 0.00 0.07 0.00 0.00 57.00 57.27 1fkr n GLN 65 Cb 0.24 -2.13 -0.02 0.00 2.41 0.00 0.00 30.24 30.75 1fkr n GLN 65 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1fkr s MET 66 N -2.99 3.46 0.11 3.69 -1.94 0.19 -5.09 119.30 116.74 1fkr s MET 66 Ca -0.01 -0.58 0.10 0.00 -1.71 0.00 0.00 55.69 53.49 1fkr s MET 66 Cb 0.02 -2.85 -0.04 0.00 2.01 0.00 0.00 34.83 33.97 1fkr s MET 66 CO 0.05 0.38 -0.22 -1.54 -0.01 0.00 0.00 175.02 173.68 1fkr s SER 67 N -3.73 3.63 -0.97 3.03 1.04 -1.26 -4.49 113.70 110.95 1fkr s SER 67 Ca 0.36 -0.63 -0.23 0.00 0.48 0.00 0.00 55.95 55.93 1fkr s SER 67 Cb -0.10 -0.41 -0.25 0.00 0.10 0.00 0.00 66.02 65.36 1fkr s SER 67 CO 0.30 0.19 2.44 0.52 0.98 0.00 0.00 173.24 177.67 1fkr n VAL 68 N 0.93 0.00 0.00 5.02 0.31 -0.16 0.14 118.33 124.57 1fkr n VAL 68 Ca -0.17 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1fkr n VAL 68 Cb 0.53 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 1fkr n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fkr n GLY 69 N 5.98 1.27 3.80 2.92 0.00 -0.93 -4.16 105.19 114.06 1fkr n GLY 69 Ca 0.65 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.31 1fkr n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fkr s GLN 70 N -0.39 3.22 -0.00 1.61 0.74 0.37 -4.05 119.66 121.15 1fkr s GLN 70 Ca 0.00 -0.30 0.06 0.00 0.05 0.00 0.00 55.36 55.17 1fkr s GLN 70 Cb 0.00 -2.99 -0.02 0.00 1.10 0.00 0.00 33.01 31.10 1fkr s GLN 70 CO 0.00 0.72 -0.19 0.50 -0.55 0.00 0.00 175.29 175.77 1fkr s ARG 71 N -1.20 1.50 0.32 1.67 3.52 -0.95 -2.01 118.95 121.79 1fkr s ARG 71 Ca 0.17 -0.73 -0.06 0.00 -0.13 0.00 0.00 55.73 54.98 1fkr s ARG 71 Cb -0.12 -1.48 0.00 0.00 -1.56 0.00 0.00 34.95 31.80 1fkr s ARG 71 CO 0.07 0.40 0.49 0.00 -0.81 0.00 0.00 175.30 175.45 1fkr s ALA 72 N -0.53 0.41 -0.27 6.12 0.00 0.19 -1.10 121.76 126.58 1fkr s ALA 72 Ca 0.07 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1fkr s ALA 72 Cb -0.08 1.10 0.08 0.00 0.00 0.00 0.00 23.12 24.23 1fkr s ALA 72 CO -0.00 -0.81 0.02 0.21 0.00 0.00 0.00 175.76 175.18 1fkr s LYS 73 N -3.26 1.20 0.11 0.00 2.20 -0.30 -1.13 119.74 118.56 1fkr s LYS 73 Ca 0.28 -1.12 0.02 0.00 -0.36 0.00 0.00 55.97 54.79 1fkr s LYS 73 Cb -0.01 -2.46 -0.04 0.00 -1.51 0.00 0.00 37.83 33.82 1fkr s LYS 73 CO 0.16 -0.79 0.18 -0.51 -0.36 0.00 0.00 175.35 174.04 1fkr s LEU 74 N 1.43 4.11 -0.18 5.43 1.02 -0.21 -1.87 118.68 128.41 1fkr s LEU 74 Ca 0.03 0.10 0.01 0.00 0.02 0.00 0.00 54.13 54.28 1fkr s LEU 74 Cb -0.18 -2.72 0.03 0.00 0.02 0.00 0.00 46.19 43.34 1fkr s LEU 74 CO -0.13 0.12 -0.13 -0.89 0.02 0.00 0.00 176.35 175.34 1fkr s THR 75 N -1.59 1.68 -0.05 5.49 2.01 -1.01 -2.08 115.64 120.09 1fkr s THR 75 Ca 0.33 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1fkr s THR 75 Cb -0.12 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1fkr s THR 75 CO 0.26 0.32 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.85 1fkr s ILE 76 N 1.41 4.02 0.20 1.82 1.01 -0.61 -1.80 121.20 127.24 1fkr s ILE 76 Ca 0.02 -0.47 0.09 0.00 0.00 0.00 0.00 60.65 60.29 1fkr s ILE 76 Cb -0.15 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 1fkr s ILE 76 CO -0.10 0.52 -0.09 -0.94 0.00 0.00 0.00 174.94 174.33 1fkr s SER 77 N -1.10 4.23 0.19 3.58 1.04 -1.23 -2.15 113.70 118.26 1fkr s SER 77 Ca 0.15 -0.62 -0.19 0.00 0.48 0.00 0.00 55.95 55.78 1fkr s SER 77 Cb -0.11 -0.70 0.14 0.00 0.10 0.00 0.00 66.02 65.45 1fkr s SER 77 CO 0.05 0.09 1.37 -0.81 0.98 0.00 0.00 173.24 174.91 1fkr n PRO 78 N -0.10 -0.25 -0.37 4.02 -0.04 -1.26 -0.38 135.00 136.62 1fkr n PRO 78 Ca -0.10 1.35 0.30 0.00 -0.04 0.00 0.00 63.50 65.02 1fkr n PRO 78 Cb 0.56 -2.00 0.50 0.00 -0.04 0.00 0.00 33.50 32.52 1fkr n PRO 78 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1fkr n ASP 79 N -5.25 0.12 -0.01 3.54 5.68 -1.26 0.18 116.55 119.55 1fkr n ASP 79 Ca 0.07 0.93 0.07 0.00 -0.50 0.00 0.00 54.79 55.36 1fkr n ASP 79 Cb 0.32 -0.46 -0.11 0.00 -1.14 0.00 0.00 41.12 39.73 1fkr n ASP 79 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1fkr n TYR 80 N -3.96 0.00 -3.56 2.11 4.02 0.49 -5.00 117.16 111.26 1fkr n TYR 80 Ca 0.29 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.97 1fkr n TYR 80 Cb 1.17 -0.34 -0.03 0.00 -0.02 0.00 0.00 39.34 40.13 1fkr n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fkr s ALA 81 N -2.98 4.12 0.00 -0.72 0.00 0.48 -1.53 121.76 121.12 1fkr s ALA 81 Ca -0.05 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.06 1fkr s ALA 81 Cb 0.09 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.20 1fkr s ALA 81 CO 0.60 -0.27 0.00 0.66 0.00 0.00 0.00 175.76 176.75 1fkr n TYR 82 N -1.60 0.00 0.00 0.00 4.02 -1.26 -4.64 117.16 113.68 1fkr n TYR 82 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1fkr n TYR 82 Cb 0.62 -0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 1fkr n TYR 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1fkr n GLY 83 N -0.40 1.48 0.00 2.72 0.00 -1.26 -4.62 105.19 103.11 1fkr n GLY 83 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1fkr n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fkr n ALA 84 N -0.31 1.68 -3.34 4.61 0.00 -1.26 -3.68 120.51 118.20 1fkr n ALA 84 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1fkr n ALA 84 Cb 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 19.45 19.62 1fkr n ALA 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1fkr n THR 85 N -1.53 4.43 -3.42 0.00 -1.04 -1.26 -4.63 114.28 106.82 1fkr n THR 85 Ca 0.00 -5.43 0.00 0.00 -2.04 0.00 0.00 64.05 56.58 1fkr n THR 85 Cb 0.31 -2.47 0.00 0.00 -1.82 0.00 0.00 70.33 66.34 1fkr n THR 85 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fkr n GLY 86 N 2.38 3.43 3.49 3.41 0.00 -1.26 -5.06 105.19 111.59 1fkr n GLY 86 Ca 0.24 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 1fkr n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fkr s HIS 87 N 0.10 2.87 0.48 1.61 5.04 -1.01 -4.94 115.29 119.44 1fkr s HIS 87 Ca 0.00 -0.23 -0.20 0.00 -1.54 0.00 0.00 55.06 53.09 1fkr s HIS 87 Cb 0.00 -1.77 -0.09 0.00 0.04 0.00 0.00 32.58 30.76 1fkr s HIS 87 CO 0.00 0.11 1.03 -1.25 -2.34 0.00 0.00 174.74 172.29 1fkr s PRO 88 N -0.31 3.86 0.00 2.88 0.04 -1.24 -0.33 135.00 139.90 1fkr s PRO 88 Ca 0.04 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1fkr s PRO 88 Cb -0.13 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1fkr s PRO 88 CO 0.02 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.10 1fkr n GLY 89 N -0.26 3.10 0.70 0.56 0.00 -1.26 -4.62 105.19 103.41 1fkr n GLY 89 Ca 0.09 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 1fkr n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fkr n ILE 90 N 0.00 0.84 -3.90 -0.61 5.41 -1.24 -4.91 119.36 114.95 1fkr n ILE 90 Ca 0.00 0.03 -0.30 0.00 1.00 0.00 0.00 62.75 63.48 1fkr n ILE 90 Cb 0.00 -1.72 -0.13 0.00 -0.71 0.00 0.00 39.64 37.08 1fkr n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1fkr s ILE 91 N -2.23 2.87 0.89 1.39 -1.09 0.55 -4.82 121.20 118.75 1fkr s ILE 91 Ca -0.12 -3.68 -0.11 0.00 -2.23 0.00 0.00 60.65 54.51 1fkr s ILE 91 Cb 0.04 -2.93 0.13 0.00 -1.58 0.00 0.00 42.46 38.12 1fkr s ILE 91 CO 0.17 -0.89 1.11 -2.84 -1.23 0.00 0.00 174.94 171.25 1fkr s PRO 92 N -0.76 1.30 1.13 2.79 0.02 -1.23 -2.39 135.00 135.86 1fkr s PRO 92 Ca 0.20 1.26 -0.19 0.00 0.02 0.00 0.00 61.00 62.29 1fkr s PRO 92 Cb -0.17 -1.78 0.11 0.00 0.02 0.00 0.00 34.50 32.68 1fkr s PRO 92 CO -0.07 -2.34 0.00 -0.35 -0.33 0.00 0.00 177.00 173.92 1fkr n PRO 93 N -4.00 -1.68 -1.39 5.54 -0.04 -1.26 -3.93 135.00 128.23 1fkr n PRO 93 Ca 0.09 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 1fkr n PRO 93 Cb 0.53 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1fkr n PRO 93 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1fkr n HIS 94 N -4.47 0.00 -4.34 0.54 8.25 -1.24 -4.88 115.22 109.08 1fkr n HIS 94 Ca 0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.19 1fkr n HIS 94 Cb 0.62 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.62 1fkr n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fkr s ALA 95 N -1.42 2.72 0.10 -1.41 0.00 -1.25 -5.03 121.76 115.47 1fkr s ALA 95 Ca 0.00 -1.48 -0.15 0.00 0.00 0.00 0.00 51.96 50.33 1fkr s ALA 95 Cb 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 23.12 22.48 1fkr s ALA 95 CO 0.00 0.50 0.51 0.99 0.00 0.00 0.00 175.76 177.76 1fkr s THR 96 N -1.48 4.89 0.15 0.00 2.01 -1.26 -4.44 115.64 115.50 1fkr s THR 96 Ca 0.21 0.86 0.07 0.00 0.31 0.00 0.00 61.69 63.13 1fkr s THR 96 Cb -0.09 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1fkr s THR 96 CO 0.12 0.36 0.00 -0.76 -0.69 0.00 0.00 174.62 173.65 1fkr s LEU 97 N -1.66 3.36 -0.04 4.42 1.43 -0.91 -4.45 118.68 120.83 1fkr s LEU 97 Ca 0.33 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1fkr s LEU 97 Cb -0.16 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.05 1fkr s LEU 97 CO 0.18 0.11 0.02 -0.69 0.23 0.00 0.00 176.35 176.21 1fkr s VAL 98 N -1.60 0.11 0.20 -1.59 1.01 -0.59 -1.57 120.40 116.36 1fkr s VAL 98 Ca 0.27 0.23 0.11 0.00 0.00 0.00 0.00 61.98 62.59 1fkr s VAL 98 Cb -0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1fkr s VAL 98 CO 0.18 0.19 -0.21 -0.36 0.00 0.00 0.00 175.10 174.91 1fkr s PHE 99 N 1.70 2.37 -0.47 5.22 0.40 -0.89 -1.22 117.98 125.09 1fkr s PHE 99 Ca -0.00 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.03 1fkr s PHE 99 Cb -0.13 -1.15 0.13 0.00 0.51 0.00 0.00 43.02 42.39 1fkr s PHE 99 CO -0.03 0.53 0.25 -0.51 0.70 0.00 0.00 175.22 176.16 1fkr s ASP 100 N -2.82 3.92 0.09 1.36 1.11 -0.88 -1.04 116.67 118.42 1fkr s ASP 100 Ca 0.23 -2.79 0.02 0.00 0.18 0.00 0.00 52.55 50.19 1fkr s ASP 100 Cb -0.08 -1.28 -0.04 0.00 1.07 0.00 0.00 42.92 42.59 1fkr s ASP 100 CO 0.12 -0.25 0.16 -0.69 1.18 0.00 0.00 175.17 175.68 1fkr s VAL 101 N 0.09 4.92 -0.31 -1.27 1.01 -0.28 -2.70 120.40 121.85 1fkr s VAL 101 Ca 0.17 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1fkr s VAL 101 Cb -0.25 -3.42 0.10 0.00 0.00 0.00 0.00 36.38 32.80 1fkr s VAL 101 CO 0.00 0.07 0.07 -0.70 0.00 0.00 0.00 175.10 174.55 1fkr s GLU 102 N -2.63 0.96 -0.04 2.72 2.12 -0.74 -0.64 118.70 120.44 1fkr s GLU 102 Ca 0.32 -1.26 -0.30 0.00 0.36 0.00 0.00 54.97 54.10 1fkr s GLU 102 Cb -0.12 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.89 1fkr s GLU 102 CO 0.25 -0.94 1.32 -1.17 -0.54 0.00 0.00 175.26 174.18 1fkr s LEU 103 N 1.43 4.29 -0.16 2.70 2.96 -0.85 -2.49 118.68 126.55 1fkr s LEU 103 Ca 0.09 1.97 -0.12 0.00 -0.22 0.00 0.00 54.13 55.84 1fkr s LEU 103 Cb -0.18 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.90 1fkr s LEU 103 CO -0.19 -0.68 -0.15 0.18 -1.32 0.00 0.00 176.35 174.19 1fkr n LEU 104 N 5.50 1.83 0.00 -0.68 4.77 0.12 -2.20 117.00 126.34 1fkr n LEU 104 Ca 0.13 0.56 -0.01 0.00 -0.03 0.00 0.00 56.01 56.65 1fkr n LEU 104 Cb 0.45 -0.87 0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1fkr n LEU 104 CO 0.57 -0.32 0.45 1.17 -1.33 0.00 0.00 177.39 177.94 1fkr n LYS 105 N -4.56 0.34 -4.36 3.23 4.81 -1.05 -4.33 118.16 112.24 1fkr n LYS 105 Ca -0.13 -0.79 -0.26 0.00 -0.87 0.00 0.00 58.31 56.26 1fkr n LYS 105 Cb 0.37 1.08 -0.10 0.00 0.02 0.00 0.00 35.03 36.40 1fkr n LYS 105 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1fkr s LEU 106 N 0.00 2.71 0.00 3.14 1.43 -1.26 -0.04 118.68 124.67 1fkr s LEU 106 Ca 0.13 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1fkr s LEU 106 Cb -0.01 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.80 1fkr s LEU 106 CO 0.03 0.10 0.13 -0.62 0.23 0.00 0.00 176.35 176.22