#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 2.64 0.22 1.61 0.11 -1.26 -3.43 120.40 120.29 1fkr s VAL 2 Ca 0.00 -1.61 0.11 0.00 -2.93 0.00 0.00 61.98 57.54 1fkr s VAL 2 Cb 0.00 -2.20 -0.05 0.00 -1.53 0.00 0.00 36.38 32.60 1fkr s VAL 2 CO 0.00 0.08 -0.20 -1.10 -3.33 0.00 0.00 175.10 170.55 1fkr s GLN 3 N -2.15 1.50 -0.26 1.54 -0.21 -0.60 -4.97 119.66 114.51 1fkr s GLN 3 Ca 0.17 -1.60 0.01 0.00 0.02 0.00 0.00 55.36 53.95 1fkr s GLN 3 Cb -0.10 -1.61 0.07 0.00 1.00 0.00 0.00 33.01 32.37 1fkr s GLN 3 CO 0.09 0.32 -0.00 0.08 -2.12 0.00 0.00 175.29 173.65 1fkr s VAL 4 N -2.25 1.45 -0.75 1.09 1.01 -1.26 -2.43 120.40 117.25 1fkr s VAL 4 Ca 0.24 -1.38 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 1fkr s VAL 4 Cb -0.05 -1.85 0.19 0.00 0.00 0.00 0.00 36.38 34.67 1fkr s VAL 4 CO 0.11 -0.29 0.63 -1.61 0.00 0.00 0.00 175.10 173.93 1fkr s GLU 5 N 1.40 3.09 0.69 2.72 2.02 -0.74 -4.99 118.70 122.88 1fkr s GLU 5 Ca -0.00 -2.65 -0.14 0.00 0.02 0.00 0.00 54.97 52.20 1fkr s GLU 5 Cb -0.18 -4.03 0.01 0.00 0.10 0.00 0.00 34.13 30.02 1fkr s GLU 5 CO -0.10 -1.23 1.11 0.99 0.02 0.00 0.00 175.26 176.05 1fkr s THR 6 N -0.23 3.25 0.03 3.63 2.01 -1.26 -1.51 115.64 121.58 1fkr s THR 6 Ca 0.19 0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.73 1fkr s THR 6 Cb -0.15 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1fkr s THR 6 CO -0.07 -0.40 0.00 -0.38 -0.69 0.00 0.00 174.62 173.08 1fkr n ILE 7 N -2.67 0.29 -3.84 1.82 5.41 -0.88 -4.88 119.36 114.61 1fkr n ILE 7 Ca 0.10 0.10 -0.28 0.00 1.00 0.00 0.00 62.75 63.66 1fkr n ILE 7 Cb 0.52 -1.38 -0.12 0.00 -0.71 0.00 0.00 39.64 37.95 1fkr n ILE 7 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1fkr s SER 8 N -5.24 4.32 0.88 4.38 1.04 -1.07 -5.03 113.70 112.99 1fkr s SER 8 Ca 0.00 -3.58 -0.22 0.00 0.48 0.00 0.00 55.95 52.63 1fkr s SER 8 Cb 0.00 -1.47 -0.16 0.00 0.10 0.00 0.00 66.02 64.48 1fkr s SER 8 CO 0.00 -0.13 -1.19 -2.65 0.98 0.00 0.00 173.24 170.26 1fkr n PRO 9 N 2.32 0.00 -2.45 4.02 -0.02 -1.26 -2.39 135.00 135.22 1fkr n PRO 9 Ca 0.18 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.60 1fkr n PRO 9 Cb 0.36 -0.88 -0.01 0.00 -0.02 0.00 0.00 33.50 32.95 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 3.08 3.99 0.37 -1.23 0.00 -1.26 -4.41 105.19 105.73 1fkr n GLY 10 Ca -0.02 -2.24 -0.10 0.00 0.00 0.00 0.00 46.02 43.67 1fkr n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fkr n ASP 11 N -1.13 -0.93 0.00 1.61 5.75 -1.26 -4.82 116.55 115.78 1fkr n ASP 11 Ca -0.04 1.66 0.00 0.00 -0.01 0.00 0.00 54.79 56.41 1fkr n ASP 11 Cb 0.12 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1fkr n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fkr n GLY 12 N -1.22 1.28 0.00 6.12 0.00 -1.26 -4.96 105.19 105.15 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 -1.38 0.10 -4.39 1.61 5.12 -1.26 -5.07 116.66 111.38 1fkr n ARG 13 Ca 0.00 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.58 1fkr n ARG 13 Cb 0.00 -0.81 -0.11 0.00 -1.16 0.00 0.00 32.46 30.37 1fkr n ARG 13 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1fkr s THR 14 N -1.63 4.04 0.37 0.55 2.01 -1.26 -5.07 115.64 114.65 1fkr s THR 14 Ca 0.00 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 61.72 1fkr s THR 14 Cb 0.00 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 1fkr s THR 14 CO 0.00 0.53 0.13 -0.36 -0.69 0.00 0.00 174.62 174.23 1fkr s PHE 15 N -0.09 1.77 0.31 4.92 0.40 -1.26 -1.15 117.98 122.87 1fkr s PHE 15 Ca 0.03 -1.25 -0.29 0.00 -0.60 0.00 0.00 56.93 54.82 1fkr s PHE 15 Cb -0.13 -1.10 -0.10 0.00 0.51 0.00 0.00 43.02 42.20 1fkr s PHE 15 CO 0.02 -0.30 1.14 -2.14 0.70 0.00 0.00 175.22 174.64 1fkr s PRO 16 N -3.77 4.50 0.45 0.24 0.02 -1.26 -4.87 135.00 130.30 1fkr s PRO 16 Ca 0.29 1.87 0.04 0.00 0.02 0.00 0.00 61.00 63.22 1fkr s PRO 16 Cb 0.04 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.44 1fkr s PRO 16 CO 0.16 0.06 0.02 0.15 -0.33 0.00 0.00 177.00 177.05 1fkr s LYS 17 N -1.67 2.04 -0.38 5.54 1.02 -1.26 -4.99 119.74 120.03 1fkr s LYS 17 Ca 0.47 -2.23 -0.29 0.00 0.02 0.00 0.00 55.97 53.95 1fkr s LYS 17 Cb -0.33 -1.47 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 1fkr s LYS 17 CO 0.42 -0.22 1.51 0.50 -0.92 0.00 0.00 175.35 176.64 1fkr s ARG 18 N -3.79 3.54 0.00 1.68 3.52 -1.26 -2.29 118.95 120.34 1fkr s ARG 18 Ca 0.22 1.09 0.00 0.00 -0.13 0.00 0.00 55.73 56.91 1fkr s ARG 18 Cb 0.06 -4.06 0.00 0.00 -1.56 0.00 0.00 34.95 29.39 1fkr s ARG 18 CO 0.11 -1.61 0.00 0.41 -0.81 0.00 0.00 175.30 173.40 1fkr n GLY 19 N 5.12 0.84 3.73 8.12 0.00 -1.26 -5.12 105.19 116.63 1fkr n GLY 19 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 2.14 -0.16 1.61 -1.52 -0.97 -5.09 119.66 115.67 1fkr s GLN 20 Ca 0.00 -2.07 0.00 0.00 -1.95 0.00 0.00 55.36 51.34 1fkr s GLN 20 Cb 0.00 -1.79 0.03 0.00 -0.22 0.00 0.00 33.01 31.03 1fkr s GLN 20 CO 0.00 -0.21 -0.11 0.99 -0.25 0.00 0.00 175.29 175.70 1fkr s THR 21 N -2.72 1.51 0.56 -0.19 2.01 -1.26 -3.80 115.64 111.75 1fkr s THR 21 Ca 0.30 -0.74 -0.19 0.00 0.31 0.00 0.00 61.69 61.38 1fkr s THR 21 Cb 0.04 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 1fkr s THR 21 CO 0.16 0.32 1.13 0.00 -0.69 0.00 0.00 174.62 175.54 1fkr s VAL 23 N -1.83 1.95 0.11 0.00 1.01 0.11 -2.16 120.40 119.60 1fkr s VAL 23 Ca 0.72 -2.03 0.10 0.00 0.00 0.00 0.00 61.98 60.77 1fkr s VAL 23 Cb -0.24 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1fkr s VAL 23 CO 0.29 -0.54 -0.25 0.68 0.00 0.00 0.00 175.10 175.28 1fkr s VAL 24 N 1.09 2.07 -0.22 2.92 -7.23 -0.58 -0.30 120.40 118.14 1fkr s VAL 24 Ca 0.08 -1.64 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 1fkr s VAL 24 Cb -0.19 -1.83 0.05 0.00 0.56 0.00 0.00 36.38 34.97 1fkr s VAL 24 CO -0.11 0.08 -0.08 -2.28 -0.31 0.00 0.00 175.10 172.40 1fkr s HIS 25 N -1.05 2.47 0.28 2.82 2.46 -1.05 -2.08 115.29 119.14 1fkr s HIS 25 Ca 0.11 -1.73 0.03 0.00 0.47 0.00 0.00 55.06 53.95 1fkr s HIS 25 Cb -0.10 -1.63 -0.06 0.00 -0.13 0.00 0.00 32.58 30.66 1fkr s HIS 25 CO 0.05 -0.77 0.04 1.52 -2.47 0.00 0.00 174.74 173.11 1fkr s TYR 26 N 1.37 1.77 -0.18 3.88 1.13 -1.26 -1.81 117.35 122.25 1fkr s TYR 26 Ca -0.04 -0.97 -0.03 0.00 -1.41 0.00 0.00 57.07 54.62 1fkr s TYR 26 Cb -0.18 -1.10 0.06 0.00 -1.10 0.00 0.00 41.96 39.64 1fkr s TYR 26 CO -0.07 -0.04 0.03 0.99 -2.51 0.00 0.00 175.55 173.95 1fkr s THR 27 N -3.39 0.52 0.04 -3.49 2.01 -0.84 -3.36 115.64 107.13 1fkr s THR 27 Ca 0.34 -0.49 -0.19 0.00 0.31 0.00 0.00 61.69 61.65 1fkr s THR 27 Cb 0.07 -0.99 -0.06 0.00 0.01 0.00 0.00 72.50 71.53 1fkr s THR 27 CO 0.13 -0.16 0.57 -0.83 -0.69 0.00 0.00 174.62 173.64 1fkr s GLY 28 N 1.87 2.64 0.37 4.40 0.00 0.48 -2.12 107.32 114.95 1fkr s GLY 28 Ca -0.00 0.02 0.04 0.00 0.00 0.00 0.00 44.72 44.77 1fkr s GLY 28 CO -0.08 0.54 0.13 -0.29 0.00 0.00 0.00 173.10 173.40 1fkr s MET 29 N -0.81 1.79 0.00 2.90 1.75 0.77 -3.00 119.30 122.71 1fkr s MET 29 Ca 0.29 -2.06 0.00 0.00 -1.25 0.00 0.00 55.69 52.67 1fkr s MET 29 Cb -0.19 -0.52 0.00 0.00 2.84 0.00 0.00 34.83 36.96 1fkr s MET 29 CO 0.18 -0.42 0.00 1.28 -0.65 0.00 0.00 175.02 175.41 1fkr n LEU 30 N -0.79 0.00 -1.34 4.11 4.77 -1.26 -1.30 117.00 121.20 1fkr n LEU 30 Ca -0.03 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.91 1fkr n LEU 30 Cb 0.65 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.88 1fkr n LEU 30 CO 0.36 -0.06 0.69 1.21 -1.33 0.00 0.00 177.39 178.26 1fkr n GLU 31 N -0.13 2.24 0.00 3.23 2.13 -1.23 -3.86 120.64 123.02 1fkr n GLU 31 Ca 0.00 -1.42 0.00 0.00 0.66 0.00 0.00 57.16 56.40 1fkr n GLU 31 Cb 0.00 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.00 1fkr n GLU 31 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1fkr n ASP 32 N 0.04 0.27 0.00 4.31 5.68 -1.26 -5.07 116.55 120.51 1fkr n ASP 32 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.49 1fkr n ASP 32 Cb 0.85 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.83 1fkr n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fkr n GLY 33 N 2.10 1.76 2.93 6.12 0.00 -1.25 -5.10 105.19 111.75 1fkr n GLY 33 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1fkr n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fkr s LYS 34 N 0.00 2.49 0.00 1.61 -0.14 -1.26 -4.93 119.74 117.52 1fkr s LYS 34 Ca 0.00 -3.25 0.00 0.00 -1.36 0.00 0.00 55.97 51.36 1fkr s LYS 34 Cb 0.00 -3.47 0.00 0.00 -1.68 0.00 0.00 37.83 32.68 1fkr s LYS 34 CO 0.00 -1.26 0.00 0.36 -0.76 0.00 0.00 175.35 173.69 1fkr n LYS 35 N 2.16 0.00 0.00 1.68 2.85 -1.26 -4.62 118.16 118.97 1fkr n LYS 35 Ca 0.18 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 1fkr n LYS 35 Cb 0.35 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.73 1fkr n LYS 35 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1fkr n PHE 36 N 0.00 0.00 -3.68 5.58 -1.74 -1.16 -4.99 117.46 111.47 1fkr n PHE 36 Ca 0.00 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.59 1fkr n PHE 36 Cb 0.00 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 40.87 1fkr n PHE 36 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1fkr s ASP 37 N -1.59 3.64 0.47 5.98 1.11 -1.23 -5.02 116.67 120.04 1fkr s ASP 37 Ca 0.00 -2.26 0.07 0.00 0.18 0.00 0.00 52.55 50.53 1fkr s ASP 37 Cb 0.00 -0.88 0.00 0.00 1.07 0.00 0.00 42.92 43.11 1fkr s ASP 37 CO 0.00 -0.32 0.38 -0.44 1.18 0.00 0.00 175.17 175.97 1fkr s SER 38 N 0.84 4.80 -0.78 0.27 0.01 -1.26 0.18 113.70 117.77 1fkr s SER 38 Ca 0.15 -0.99 0.03 0.00 1.31 0.00 0.00 55.95 56.45 1fkr s SER 38 Cb -0.22 -0.15 0.20 0.00 0.21 0.00 0.00 66.02 66.06 1fkr s SER 38 CO -0.07 -0.84 0.67 -1.54 0.41 0.00 0.00 173.24 171.87 1fkr n SER 39 N -1.62 3.67 -1.44 2.44 3.41 -1.21 -4.91 113.62 113.96 1fkr n SER 39 Ca 0.02 -3.23 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 1fkr n SER 39 Cb 0.63 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1fkr n SER 39 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1fkr n ARG 40 N 1.88 0.00 -0.36 4.33 5.12 -1.26 -4.68 116.66 121.69 1fkr n ARG 40 Ca 0.22 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 1fkr n ARG 40 Cb 0.36 -0.37 0.00 0.00 -1.16 0.00 0.00 32.46 31.29 1fkr n ARG 40 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1fkr n ASP 41 N 0.96 -0.42 -0.05 0.55 2.03 -1.26 -4.64 116.55 113.72 1fkr n ASP 41 Ca 0.00 -0.24 -0.03 0.00 0.52 0.00 0.00 54.79 55.04 1fkr n ASP 41 Cb 0.00 -0.04 -0.01 0.00 -0.72 0.00 0.00 41.12 40.35 1fkr n ASP 41 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1fkr n ARG 42 N 1.32 0.31 0.00 -0.67 0.63 -1.26 -4.96 116.66 112.03 1fkr n ARG 42 Ca 0.00 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 1fkr n ARG 42 Cb 0.11 -1.38 0.00 0.00 0.45 0.00 0.00 32.46 31.64 1fkr n ARG 42 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1fkr n ASN 43 N -3.87 0.00 -4.29 6.15 2.04 -1.26 -5.10 115.26 108.93 1fkr n ASN 43 Ca -0.05 0.00 -0.22 0.00 -0.44 0.00 0.00 54.58 53.87 1fkr n ASN 43 Cb 0.19 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.32 1fkr n ASN 43 CO 0.00 0.00 0.00 -1.59 -0.44 0.00 0.00 177.26 175.23 1fkr s LYS 44 N 0.00 1.15 0.00 -3.83 -2.85 -1.26 -5.15 119.74 107.80 1fkr s LYS 44 Ca 0.00 -1.24 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 1fkr s LYS 44 Cb 0.00 -1.27 0.00 0.00 -2.06 0.00 0.00 37.83 34.50 1fkr s LYS 44 CO 0.00 0.28 0.00 -0.35 0.10 0.00 0.00 175.35 175.38 1fkr n PRO 45 N 0.75 2.31 -3.59 1.78 -0.04 -1.26 -4.96 135.00 129.98 1fkr n PRO 45 Ca -0.17 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.94 1fkr n PRO 45 Cb 0.55 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.96 1fkr n PRO 45 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1fkr s PHE 46 N -0.00 3.61 -0.05 0.54 5.36 -0.89 -4.98 117.98 121.57 1fkr s PHE 46 Ca 0.00 0.79 -0.00 0.00 -0.96 0.00 0.00 56.93 56.76 1fkr s PHE 46 Cb 0.00 -2.16 0.03 0.00 -0.34 0.00 0.00 43.02 40.55 1fkr s PHE 46 CO 0.00 0.56 -0.02 0.15 -1.46 0.00 0.00 175.22 174.45 1fkr s LYS 47 N -1.70 0.65 0.31 10.12 1.02 -1.26 -1.53 119.74 127.34 1fkr s LYS 47 Ca 0.30 0.02 0.04 0.00 0.02 0.00 0.00 55.97 56.34 1fkr s LYS 47 Cb -0.14 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.29 1fkr s LYS 47 CO 0.16 -0.19 0.18 -0.59 -0.92 0.00 0.00 175.35 174.00 1fkr s PHE 48 N 1.39 1.61 0.11 3.18 -0.71 -0.92 -4.95 117.98 117.69 1fkr s PHE 48 Ca -0.04 -1.43 0.08 0.00 -1.04 0.00 0.00 56.93 54.50 1fkr s PHE 48 Cb -0.13 -0.82 -0.04 0.00 -1.21 0.00 0.00 43.02 40.81 1fkr s PHE 48 CO -0.03 -0.59 -0.13 1.41 -1.34 0.00 0.00 175.22 174.55 1fkr s MET 49 N -3.76 2.02 -0.26 1.99 1.75 -1.26 -0.08 119.30 119.70 1fkr s MET 49 Ca 0.36 -1.07 -0.19 0.00 -1.25 0.00 0.00 55.69 53.54 1fkr s MET 49 Cb 0.04 -2.25 -0.02 0.00 2.84 0.00 0.00 34.83 35.45 1fkr s MET 49 CO 0.19 0.50 0.57 -1.17 -0.65 0.00 0.00 175.02 174.46 1fkr s LEU 50 N -2.18 4.06 0.00 4.11 2.96 -1.25 -3.93 118.68 122.45 1fkr s LEU 50 Ca 0.20 0.60 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 1fkr s LEU 50 Cb -0.11 -2.76 0.00 0.00 0.50 0.00 0.00 46.19 43.82 1fkr s LEU 50 CO 0.13 -0.34 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 1fkr n GLY 51 N 4.29 0.57 2.10 7.98 0.00 -1.26 -4.54 105.19 114.32 1fkr n GLY 51 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 3.53 -0.74 1.61 3.00 -1.25 -4.99 118.16 117.31 1fkr n LYS 52 Ca 0.00 -4.15 0.00 0.00 -0.00 0.00 0.00 58.31 54.16 1fkr n LYS 52 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 32.75 1fkr n LYS 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1fkr n GLN 53 N -0.69 -0.11 -0.04 1.64 6.02 -1.26 -4.66 117.38 118.27 1fkr n GLN 53 Ca 0.45 -0.06 -0.16 0.00 -0.01 0.00 0.00 57.00 57.22 1fkr n GLN 53 Cb 0.91 0.10 -0.14 0.00 1.02 0.00 0.00 30.24 32.13 1fkr n GLN 53 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1fkr n GLU 54 N -0.17 0.70 -4.31 -1.09 0.00 -1.26 -4.91 120.64 109.60 1fkr n GLU 54 Ca 0.00 0.21 -0.27 0.00 0.00 0.00 0.00 57.16 57.10 1fkr n GLU 54 Cb 0.00 -1.66 -0.10 0.00 0.00 0.00 0.00 31.44 29.68 1fkr n GLU 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1fkr s VAL 55 N -2.55 3.07 1.00 6.31 -7.23 -1.26 -5.07 120.40 114.66 1fkr s VAL 55 Ca -0.20 -1.70 -0.16 0.00 -1.81 0.00 0.00 61.98 58.12 1fkr s VAL 55 Cb 0.07 -2.51 0.09 0.00 0.56 0.00 0.00 36.38 34.59 1fkr s VAL 55 CO 0.75 -0.10 -0.05 2.30 -0.31 0.00 0.00 175.10 177.69 1fkr n ILE 56 N 0.10 0.00 0.16 -0.62 -5.35 -1.26 -4.65 119.36 107.74 1fkr n ILE 56 Ca -0.11 -0.10 -0.08 0.00 -0.27 0.00 0.00 62.75 62.19 1fkr n ILE 56 Cb 0.55 -0.41 -0.04 0.00 -1.74 0.00 0.00 39.64 38.00 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 -2.24 -0.47 -0.47 6.28 2.43 -1.90 -2.96 114.38 115.04 1fkr h ARG 57 Ca -0.32 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.05 1fkr h ARG 57 Cb 0.95 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.55 1fkr h ARG 57 CO 0.21 -0.30 0.29 0.41 -1.51 0.00 0.00 179.97 179.07 1fkr n GLY 58 N 0.53 -0.30 0.00 2.80 0.00 -0.83 0.32 105.19 107.71 1fkr n GLY 58 Ca -0.06 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.52 0.00 -0.18 1.61 7.02 -1.24 -0.83 117.44 120.30 1fkr n TRP 59 Ca 0.15 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.62 1fkr n TRP 59 Cb 0.55 -0.22 0.01 0.00 -2.42 0.00 0.00 31.31 29.23 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 -1.16 -0.12 -0.03 -0.99 2.13 0.15 0.27 120.64 120.89 1fkr n GLU 60 Ca 0.00 0.70 -0.13 0.00 0.66 0.00 0.00 57.16 58.39 1fkr n GLU 60 Cb 0.00 -1.03 -0.11 0.00 0.27 0.00 0.00 31.44 30.57 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 -0.01 0.00 5.31 4.81 -0.72 -2.57 114.58 121.39 1fkr h GLU 61 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1fkr h GLU 61 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1fkr h GLU 61 CO -0.45 0.62 0.00 0.41 -0.73 0.00 0.00 179.01 178.86 1fkr n GLY 62 N 0.65 -2.79 0.36 1.92 0.00 0.65 -2.52 105.19 103.46 1fkr n GLY 62 Ca -0.09 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1fkr n GLY 62 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1fkr n VAL 63 N -1.22 -0.42 -0.19 1.61 0.31 0.76 -1.06 118.33 118.12 1fkr n VAL 63 Ca 0.00 2.27 -0.10 0.00 -0.01 0.00 0.00 64.34 66.50 1fkr n VAL 63 Cb 0.00 -3.12 -0.08 0.00 -0.91 0.00 0.00 33.84 29.73 1fkr n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fkr h ALA 64 N 1.92 -0.59 0.00 3.52 0.00 -1.46 0.58 119.26 123.24 1fkr h ALA 64 Ca 0.46 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1fkr h ALA 64 Cb 0.71 1.14 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1fkr h ALA 64 CO -1.01 -0.84 0.56 0.94 0.00 0.00 0.00 179.25 178.90 1fkr n GLN 65 N -4.78 0.05 -3.79 0.00 7.27 -0.22 -4.37 117.38 111.53 1fkr n GLN 65 Ca -0.01 0.51 -0.22 0.00 0.07 0.00 0.00 57.00 57.35 1fkr n GLN 65 Cb 0.24 -2.20 -0.02 0.00 2.41 0.00 0.00 30.24 30.67 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 -3.12 3.45 0.13 3.69 -1.94 0.20 -5.11 119.30 116.60 1fkr s MET 66 Ca -0.01 -0.63 0.10 0.00 -1.71 0.00 0.00 55.69 53.44 1fkr s MET 66 Cb 0.02 -2.82 -0.04 0.00 2.01 0.00 0.00 34.83 34.00 1fkr s MET 66 CO 0.05 0.34 -0.21 -1.54 -0.01 0.00 0.00 175.02 173.65 1fkr s SER 67 N -4.00 3.69 -0.75 3.03 1.04 -1.26 -4.52 113.70 110.93 1fkr s SER 67 Ca 0.36 -0.64 -0.33 0.00 0.48 0.00 0.00 55.95 55.81 1fkr s SER 67 Cb -0.09 -0.43 -0.18 0.00 0.10 0.00 0.00 66.02 65.42 1fkr s SER 67 CO 0.31 0.17 2.49 0.52 0.98 0.00 0.00 173.24 177.71 1fkr n VAL 68 N 0.77 0.01 0.00 5.02 0.31 -0.30 -0.39 118.33 123.75 1fkr n VAL 68 Ca -0.16 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1fkr n VAL 68 Cb 0.53 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 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 6.64 1.22 3.70 2.92 0.00 -1.01 -4.01 105.19 114.65 1fkr n GLY 69 Ca 0.57 0.00 -0.28 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 -0.37 2.54 -0.00 1.61 0.74 0.48 -4.26 119.66 120.40 1fkr s GLN 70 Ca 0.00 -0.96 0.04 0.00 0.05 0.00 0.00 55.36 54.48 1fkr s GLN 70 Cb 0.00 -2.48 -0.01 0.00 1.10 0.00 0.00 33.01 31.62 1fkr s GLN 70 CO 0.00 0.49 -0.11 0.50 -0.55 0.00 0.00 175.29 175.62 1fkr s ARG 71 N -2.73 0.91 0.34 1.67 3.52 -1.01 -1.77 118.95 119.89 1fkr s ARG 71 Ca 0.27 -0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 55.43 1fkr s ARG 71 Cb -0.10 -0.88 -0.00 0.00 -1.56 0.00 0.00 34.95 32.40 1fkr s ARG 71 CO 0.19 0.24 0.44 0.00 -0.81 0.00 0.00 175.30 175.37 1fkr s ALA 72 N -0.33 0.95 -0.28 6.12 0.00 -0.01 -2.08 121.76 126.14 1fkr s ALA 72 Ca 0.04 -1.61 0.01 0.00 0.00 0.00 0.00 51.96 50.39 1fkr s ALA 72 Cb -0.05 1.21 0.08 0.00 0.00 0.00 0.00 23.12 24.36 1fkr s ALA 72 CO -0.00 -0.77 0.02 0.21 0.00 0.00 0.00 175.76 175.22 1fkr s LYS 73 N -3.11 1.26 0.15 0.00 2.20 -0.57 -1.43 119.74 118.24 1fkr s LYS 73 Ca 0.32 -1.16 0.01 0.00 -0.36 0.00 0.00 55.97 54.78 1fkr s LYS 73 Cb 0.00 -2.51 -0.04 0.00 -1.51 0.00 0.00 37.83 33.77 1fkr s LYS 73 CO 0.21 -0.79 0.31 -0.51 -0.36 0.00 0.00 175.35 174.21 1fkr s LEU 74 N 1.39 4.31 -0.16 5.43 1.43 0.80 -1.78 118.68 130.09 1fkr s LEU 74 Ca 0.03 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1fkr s LEU 74 Cb -0.18 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.05 1fkr s LEU 74 CO -0.12 0.05 -0.14 -0.89 0.23 0.00 0.00 176.35 175.47 1fkr s THR 75 N -1.73 1.64 -0.04 5.49 2.01 -1.02 -1.41 115.64 120.58 1fkr s THR 75 Ca 0.36 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.67 1fkr s THR 75 Cb -0.11 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1fkr s THR 75 CO 0.28 0.44 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.93 1fkr s ILE 76 N 1.45 3.52 0.10 1.82 1.01 -0.99 -1.56 121.20 126.56 1fkr s ILE 76 Ca 0.04 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.13 1fkr s ILE 76 Cb -0.13 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1fkr s ILE 76 CO -0.11 0.54 -0.00 -0.94 0.00 0.00 0.00 174.94 174.44 1fkr s SER 77 N -0.95 4.99 0.21 3.58 1.04 -1.22 -2.32 113.70 119.03 1fkr s SER 77 Ca 0.13 -0.21 -0.19 0.00 0.48 0.00 0.00 55.95 56.16 1fkr s SER 77 Cb -0.11 -1.17 0.19 0.00 0.10 0.00 0.00 66.02 65.03 1fkr s SER 77 CO 0.03 0.16 1.56 1.55 0.98 0.00 0.00 173.24 177.52 1fkr h PRO 78 N 3.32 -0.05 -1.44 4.02 0.13 -1.89 0.17 132.00 136.28 1fkr h PRO 78 Ca -0.48 0.00 0.42 0.00 -0.87 0.00 0.00 66.00 65.07 1fkr h PRO 78 Cb 1.17 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1fkr h PRO 78 CO 0.59 -0.03 1.31 0.38 -0.23 0.00 0.00 178.00 180.02 1fkr h ASP 79 N -0.05 0.00 -0.65 1.44 2.03 -1.89 0.76 116.42 118.07 1fkr h ASP 79 Ca 0.30 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.39 1fkr h ASP 79 Cb 0.58 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 38.95 1fkr h ASP 79 CO -0.90 0.00 0.22 -1.22 -1.03 0.00 0.00 179.24 176.31 1fkr n TYR 80 N -3.53 2.13 0.00 4.15 4.02 0.61 -4.83 117.16 119.70 1fkr n TYR 80 Ca 0.32 -1.27 0.00 0.00 -0.01 0.00 0.00 57.90 56.94 1fkr n TYR 80 Cb 1.74 -0.64 0.00 0.00 -0.02 0.00 0.00 39.34 40.43 1fkr n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fkr n ALA 81 N -0.42 0.00 -2.58 -0.72 0.00 0.26 -1.97 120.51 115.08 1fkr n ALA 81 Ca 0.39 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.49 1fkr n ALA 81 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.75 1fkr n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fkr n TYR 82 N -0.48 3.33 0.00 0.00 4.01 -1.10 -4.96 117.16 117.96 1fkr n TYR 82 Ca 0.00 -3.07 0.00 0.00 -0.16 0.00 0.00 57.90 54.67 1fkr n TYR 82 Cb 0.00 -0.78 0.00 0.00 -0.31 0.00 0.00 39.34 38.25 1fkr n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fkr n GLY 83 N -0.28 0.00 2.43 2.72 0.00 -1.06 -3.62 105.19 105.38 1fkr n GLY 83 Ca 0.42 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 4.78 0.03 4.61 0.00 -1.26 -4.59 120.51 124.09 1fkr n ALA 84 Ca 0.00 -4.03 0.00 0.00 0.00 0.00 0.00 53.44 49.41 1fkr n ALA 84 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.48 0.48 -0.56 0.00 -1.04 -1.24 -4.99 114.28 106.45 1fkr n THR 85 Ca 0.35 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.52 1fkr n THR 85 Cb 0.74 -1.33 -0.00 0.00 -1.82 0.00 0.00 70.33 67.92 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 2.89 -0.13 3.56 3.41 0.00 -1.25 -4.77 105.19 108.91 1fkr n GLY 86 Ca 0.00 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 1fkr n GLY 86 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fkr s HIS 87 N -0.14 2.51 -1.02 1.61 3.76 0.49 -4.95 115.29 117.55 1fkr s HIS 87 Ca 0.00 -0.27 -0.19 0.00 -0.15 0.00 0.00 55.06 54.45 1fkr s HIS 87 Cb 0.00 -1.11 0.11 0.00 1.11 0.00 0.00 32.58 32.69 1fkr s HIS 87 CO 0.00 0.66 1.29 -1.25 -0.85 0.00 0.00 174.74 174.59 1fkr s PRO 88 N -3.54 3.70 0.00 8.40 0.04 -1.26 -2.16 135.00 140.17 1fkr s PRO 88 Ca 0.30 -1.75 0.00 0.00 0.04 0.00 0.00 61.00 59.59 1fkr s PRO 88 Cb -0.06 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.39 1fkr s PRO 88 CO 0.17 -1.91 0.00 0.41 0.04 0.00 0.00 177.00 175.71 1fkr n GLY 89 N 5.61 1.88 0.34 0.56 0.00 -1.26 -4.95 105.19 107.37 1fkr n GLY 89 Ca 0.30 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 1.02 -3.89 -0.61 5.41 -1.26 -4.88 119.36 115.15 1fkr n ILE 90 Ca 0.00 0.26 -0.29 0.00 1.00 0.00 0.00 62.75 63.71 1fkr n ILE 90 Cb 0.00 -1.91 -0.13 0.00 -0.71 0.00 0.00 39.64 36.88 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 -2.18 2.44 0.71 1.39 1.09 -1.22 -4.95 121.20 118.48 1fkr s ILE 91 Ca -0.15 -3.45 -0.10 0.00 -1.10 0.00 0.00 60.65 55.85 1fkr s ILE 91 Cb 0.02 -2.67 0.16 0.00 -1.06 0.00 0.00 42.46 38.92 1fkr s ILE 91 CO 0.22 -0.88 0.37 -2.65 -0.10 0.00 0.00 174.94 171.90 1fkr n PRO 92 N 2.86 -2.08 -0.51 2.79 -0.02 -0.92 0.18 135.00 137.31 1fkr n PRO 92 Ca 0.10 -0.62 -0.29 0.00 -2.02 0.00 0.00 63.50 60.67 1fkr n PRO 92 Cb 0.34 -0.98 0.24 0.00 -0.02 0.00 0.00 33.50 33.08 1fkr n PRO 92 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1fkr n PRO 93 N -2.53 -2.23 -1.57 0.52 -0.02 -1.26 -4.01 135.00 123.91 1fkr n PRO 93 Ca 0.06 -0.62 0.00 0.00 -2.02 0.00 0.00 63.50 60.92 1fkr n PRO 93 Cb 0.25 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1fkr n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1fkr n HIS 94 N -4.88 0.00 -3.63 6.00 8.25 -1.26 -4.81 115.22 114.89 1fkr n HIS 94 Ca 0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.21 1fkr n HIS 94 Cb 0.54 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.56 1fkr n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fkr n ALA 95 N -0.37 3.81 -0.60 -1.41 0.00 -1.26 -5.09 120.51 115.59 1fkr n ALA 95 Ca 0.00 -4.67 -0.19 0.00 0.00 0.00 0.00 53.44 48.58 1fkr n ALA 95 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1fkr n ALA 95 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1fkr n THR 96 N 1.40 0.12 -4.21 0.00 -1.04 -1.26 -4.81 114.28 104.47 1fkr n THR 96 Ca 0.25 -0.24 -0.23 0.00 -2.04 0.00 0.00 64.05 61.79 1fkr n THR 96 Cb 0.38 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.82 1fkr n THR 96 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1fkr s LEU 97 N 2.26 3.17 -0.03 -4.42 1.43 -0.98 -3.54 118.68 116.57 1fkr s LEU 97 Ca 0.28 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1fkr s LEU 97 Cb -0.26 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.35 1fkr s LEU 97 CO 0.31 -0.21 -0.03 -0.69 0.23 0.00 0.00 176.35 175.97 1fkr s VAL 98 N -2.43 0.34 0.06 -1.59 1.01 -0.42 -2.34 120.40 115.03 1fkr s VAL 98 Ca 0.35 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.37 1fkr s VAL 98 Cb -0.03 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 1fkr s VAL 98 CO 0.21 0.16 -0.23 -0.36 0.00 0.00 0.00 175.10 174.89 1fkr s PHE 99 N 0.73 1.96 -0.43 5.22 0.40 -0.50 -0.16 117.98 125.20 1fkr s PHE 99 Ca -0.08 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 55.89 1fkr s PHE 99 Cb -0.11 -1.15 0.12 0.00 0.51 0.00 0.00 43.02 42.38 1fkr s PHE 99 CO -0.01 0.14 0.17 -0.51 0.70 0.00 0.00 175.22 175.71 1fkr s ASP 100 N -1.37 4.41 0.14 1.36 1.11 -0.90 -0.14 116.67 121.27 1fkr s ASP 100 Ca 0.09 -2.57 0.06 0.00 0.18 0.00 0.00 52.55 50.31 1fkr s ASP 100 Cb -0.09 -1.53 -0.04 0.00 1.07 0.00 0.00 42.92 42.33 1fkr s ASP 100 CO 0.03 -0.30 0.02 -0.69 1.18 0.00 0.00 175.17 175.41 1fkr s VAL 101 N 0.34 3.97 -0.35 -1.27 1.01 -0.51 -1.98 120.40 121.61 1fkr s VAL 101 Ca 0.14 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1fkr s VAL 101 Cb -0.23 -2.96 0.11 0.00 0.00 0.00 0.00 36.38 33.30 1fkr s VAL 101 CO -0.05 -0.02 0.11 -0.70 0.00 0.00 0.00 175.10 174.44 1fkr s GLU 102 N -2.72 1.18 -0.03 2.72 2.12 -0.75 -0.83 118.70 120.37 1fkr s GLU 102 Ca 0.27 -1.61 -0.30 0.00 0.36 0.00 0.00 54.97 53.69 1fkr s GLU 102 Cb -0.10 -2.61 -0.05 0.00 0.26 0.00 0.00 34.13 31.63 1fkr s GLU 102 CO 0.19 -1.00 1.36 -1.17 -0.54 0.00 0.00 175.26 174.11 1fkr s LEU 103 N 1.05 4.29 -0.18 2.70 2.96 -0.73 -2.54 118.68 126.23 1fkr s LEU 103 Ca 0.12 2.01 -0.15 0.00 -0.22 0.00 0.00 54.13 55.89 1fkr s LEU 103 Cb -0.19 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.85 1fkr s LEU 103 CO -0.14 -0.71 -0.12 0.18 -1.32 0.00 0.00 176.35 174.24 1fkr n LEU 104 N 5.62 1.86 0.00 -0.68 4.77 0.58 -2.41 117.00 126.74 1fkr n LEU 104 Ca 0.13 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1fkr n LEU 104 Cb 0.44 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1fkr n LEU 104 CO 0.58 -0.10 0.00 2.29 -1.33 0.00 0.00 177.39 178.83 1fkr n LYS 105 N -4.49 0.00 -4.34 3.23 2.85 -1.05 -4.16 118.16 110.20 1fkr n LYS 105 Ca -0.21 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 56.79 1fkr n LYS 105 Cb 0.50 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.79 1fkr n LYS 105 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1fkr s LEU 106 N 0.00 2.87 0.00 -5.58 1.43 -1.26 0.09 118.68 116.23 1fkr s LEU 106 Ca 0.00 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1fkr s LEU 106 Cb 0.00 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.71 1fkr s LEU 106 CO 0.00 0.08 0.26 1.21 0.23 0.00 0.00 176.35 178.13