#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fk9 s GLN 2 N 0.00 2.95 -0.26 1.96 -2.07 -1.26 -4.99 119.66 115.99 3fk9 s GLN 2 Ca 0.00 -1.14 0.01 0.00 -1.82 0.00 0.00 55.36 52.41 3fk9 s GLN 2 Cb 0.00 -2.70 0.07 0.00 -1.09 0.00 0.00 33.01 29.30 3fk9 s GLN 2 CO 0.00 0.03 -0.00 1.03 -1.32 0.00 0.00 175.29 175.03 3fk9 s ARG 3 N -4.14 1.33 -0.08 9.60 0.52 -1.26 -1.83 118.95 123.10 3fk9 s ARG 3 Ca 0.45 -1.09 -0.04 0.00 -0.52 0.00 0.00 55.73 54.53 3fk9 s ARG 3 Cb -0.08 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.83 3fk9 s ARG 3 CO 0.30 -0.73 0.08 0.08 0.02 0.00 0.00 175.30 175.05 3fk9 s VAL 4 N 1.41 4.93 0.12 3.52 1.01 -0.29 -0.09 120.40 131.01 3fk9 s VAL 4 Ca 0.00 -0.09 0.10 0.00 0.00 0.00 0.00 61.98 61.99 3fk9 s VAL 4 Cb -0.18 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3fk9 s VAL 4 CO -0.10 0.55 -0.25 0.42 0.00 0.00 0.00 175.10 175.71 3fk9 s THR 5 N -1.03 2.10 0.25 3.92 -4.23 -0.45 -1.05 115.64 115.16 3fk9 s THR 5 Ca 0.17 -1.69 -0.02 0.00 -1.18 0.00 0.00 61.69 58.97 3fk9 s THR 5 Cb -0.12 -1.87 -0.03 0.00 1.34 0.00 0.00 72.50 71.83 3fk9 s THR 5 CO 0.06 0.05 0.27 0.54 -0.54 0.00 0.00 174.62 175.00 3fk9 s ASN 6 N -2.00 0.51 -0.03 3.99 6.03 -0.73 -0.54 114.94 122.18 3fk9 s ASN 6 Ca 0.12 -1.39 0.02 0.00 -1.03 0.00 0.00 52.86 50.57 3fk9 s ASN 6 Cb -0.10 0.49 0.01 0.00 -3.03 0.00 0.00 41.25 38.61 3fk9 s ASN 6 CO 0.05 -1.00 -0.08 0.00 -2.03 0.00 0.00 177.10 174.04 3fk9 s ILE 8 N 0.29 5.10 -0.41 0.00 1.01 0.09 -4.15 121.20 123.14 3fk9 s ILE 8 Ca -0.04 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 59.73 3fk9 s ILE 8 Cb -0.09 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.25 3fk9 s ILE 8 CO 0.01 -0.59 0.42 -0.69 0.00 0.00 0.00 174.94 174.09 3fk9 s VAL 9 N 2.04 5.10 -0.33 2.92 1.01 -1.26 -1.91 120.40 127.98 3fk9 s VAL 9 Ca 0.09 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 3fk9 s VAL 9 Cb -0.21 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 3fk9 s VAL 9 CO 0.10 -0.39 0.35 -0.69 0.00 0.00 0.00 175.10 174.48 3fk9 s VAL 10 N 2.10 5.18 -0.18 2.92 1.01 -0.12 -2.72 120.40 128.59 3fk9 s VAL 10 Ca 0.12 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.25 3fk9 s VAL 10 Cb -0.17 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.46 3fk9 s VAL 10 CO 0.13 -0.03 -0.14 -0.62 0.00 0.00 0.00 175.10 174.44 3fk9 s ASP 11 N 1.72 3.10 -1.50 3.32 3.68 0.53 -4.28 116.67 123.24 3fk9 s ASP 11 Ca 0.12 -0.69 -0.01 0.00 2.13 0.00 0.00 52.55 54.10 3fk9 s ASP 11 Cb -0.16 -1.29 0.00 0.00 -1.45 0.00 0.00 42.92 40.02 3fk9 s ASP 11 CO 0.11 -0.07 0.02 1.41 0.13 0.00 0.00 175.17 176.77 3fk9 n HIS 12 N 4.69 -1.23 -1.22 -5.34 8.25 -1.26 -0.29 115.22 118.82 3fk9 n HIS 12 Ca -0.17 0.58 -0.08 0.00 -0.26 0.00 0.00 57.72 57.79 3fk9 n HIS 12 Cb 0.49 -2.72 -0.03 0.00 1.12 0.00 0.00 29.99 28.84 3fk9 n HIS 12 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3fk9 n ASP 13 N -2.79 -3.93 -4.24 0.41 2.03 -1.26 -5.02 116.55 101.75 3fk9 n ASP 13 Ca -0.32 0.19 -0.23 0.00 0.52 0.00 0.00 54.79 54.95 3fk9 n ASP 13 Cb 0.68 -2.10 -0.13 0.00 -0.72 0.00 0.00 41.12 38.85 3fk9 n ASP 13 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3fk9 s GLN 14 N -2.62 1.11 -0.10 -0.67 -0.21 0.60 -1.60 119.66 116.18 3fk9 s GLN 14 Ca 0.00 -1.02 0.04 0.00 0.02 0.00 0.00 55.36 54.40 3fk9 s GLN 14 Cb 0.00 -1.26 0.00 0.00 1.00 0.00 0.00 33.01 32.75 3fk9 s GLN 14 CO 0.00 0.30 -0.23 0.08 -2.12 0.00 0.00 175.29 173.32 3fk9 s VAL 15 N -1.05 1.98 -0.23 1.09 1.01 0.24 -0.34 120.40 123.10 3fk9 s VAL 15 Ca 0.05 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.77 3fk9 s VAL 15 Cb -0.09 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.58 3fk9 s VAL 15 CO 0.03 0.54 1.00 -0.22 0.00 0.00 0.00 175.10 176.45 3fk9 s LEU 16 N 0.36 4.10 0.26 3.92 2.96 -1.10 -0.23 118.68 128.95 3fk9 s LEU 16 Ca -0.18 1.32 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 3fk9 s LEU 16 Cb -0.18 -3.47 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 3fk9 s LEU 16 CO 0.08 -0.63 0.08 -0.76 -1.32 0.00 0.00 176.35 173.80 3fk9 s LEU 17 N 3.10 1.80 -0.07 -0.68 1.43 -0.51 -4.55 118.68 119.20 3fk9 s LEU 17 Ca 0.42 -1.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.19 3fk9 s LEU 17 Cb -0.15 -0.08 0.01 0.00 0.03 0.00 0.00 46.19 46.00 3fk9 s LEU 17 CO 0.07 -0.68 -0.17 -0.22 0.23 0.00 0.00 176.35 175.57 3fk9 s LEU 18 N -3.34 1.83 -0.22 1.79 0.20 -0.37 -1.21 118.68 117.37 3fk9 s LEU 18 Ca 0.36 -0.39 -0.08 0.00 0.69 0.00 0.00 54.13 54.71 3fk9 s LEU 18 Cb 0.08 -1.04 -0.04 0.00 -0.43 0.00 0.00 46.19 44.76 3fk9 s LEU 18 CO 0.13 0.09 0.09 -1.58 -0.29 0.00 0.00 176.35 174.79 3fk9 s GLN 19 N 0.48 3.89 0.56 1.98 0.74 0.38 -0.26 119.66 127.43 3fk9 s GLN 19 Ca -0.15 -0.37 -0.18 0.00 0.05 0.00 0.00 55.36 54.71 3fk9 s GLN 19 Cb -0.16 -3.32 -0.05 0.00 1.10 0.00 0.00 33.01 30.59 3fk9 s GLN 19 CO 0.05 0.08 1.09 0.15 -0.55 0.00 0.00 175.29 176.12 3fk9 s LYS 20 N 0.92 3.33 0.35 1.67 1.02 -0.39 -1.00 119.74 125.64 3fk9 s LYS 20 Ca 0.05 1.44 -0.28 0.00 0.02 0.00 0.00 55.97 57.19 3fk9 s LYS 20 Cb -0.14 -2.02 -0.11 0.00 -0.52 0.00 0.00 37.83 35.04 3fk9 s LYS 20 CO 0.03 -0.84 1.47 -2.30 -0.92 0.00 0.00 175.35 172.79 3fk9 n PRO 21 N -1.59 2.55 -0.52 -1.68 -0.02 -1.26 -1.60 135.00 130.89 3fk9 n PRO 21 Ca 0.10 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 3fk9 n PRO 21 Cb 0.52 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3fk9 n PRO 21 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3fk9 n ARG 22 N 0.82 0.00 -4.13 -0.52 5.12 -1.26 -3.92 116.66 112.78 3fk9 n ARG 22 Ca 0.04 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.58 3fk9 n ARG 22 Cb 0.38 -0.92 -0.03 0.00 -1.16 0.00 0.00 32.46 30.73 3fk9 n ARG 22 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3fk9 n ARG 23 N -1.03 -0.89 0.00 5.56 1.85 -1.22 -4.97 116.66 115.96 3fk9 n ARG 23 Ca 0.00 0.14 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 3fk9 n ARG 23 Cb 0.13 -3.24 0.00 0.00 -1.05 0.00 0.00 32.46 28.30 3fk9 n ARG 23 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3fk9 n GLY 24 N -2.25 1.04 3.73 2.89 0.00 -0.63 -5.03 105.19 104.94 3fk9 n GLY 24 Ca -0.21 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 3fk9 n GLY 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fk9 s TRP 25 N 1.37 2.15 -0.09 1.61 0.51 -1.26 -4.36 118.94 118.87 3fk9 s TRP 25 Ca 0.00 1.60 -0.12 0.00 -2.12 0.00 0.00 56.10 55.45 3fk9 s TRP 25 Cb 0.00 -3.41 -0.05 0.00 -0.81 0.00 0.00 33.47 29.20 3fk9 s TRP 25 CO 0.00 -2.44 0.29 -1.58 -0.51 0.00 0.00 176.95 172.71 3fk9 s TRP 26 N -2.06 3.61 0.17 -1.98 0.52 -0.58 -1.26 118.94 117.35 3fk9 s TRP 26 Ca 0.73 0.73 0.03 0.00 0.02 0.00 0.00 56.10 57.61 3fk9 s TRP 26 Cb -0.27 -2.20 -0.05 0.00 -1.15 0.00 0.00 33.47 29.80 3fk9 s TRP 26 CO 0.45 0.54 -0.05 0.14 0.02 0.00 0.00 176.95 178.05 3fk9 s VAL 27 N -0.57 0.97 0.25 4.03 -7.23 0.64 -4.75 120.40 113.75 3fk9 s VAL 27 Ca 0.19 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.04 3fk9 s VAL 27 Cb -0.14 -2.00 -0.09 0.00 0.56 0.00 0.00 36.38 34.71 3fk9 s VAL 27 CO 0.08 -0.61 1.03 0.00 -0.31 0.00 0.00 175.10 175.29 3fk9 s ALA 28 N -3.46 3.37 0.71 1.32 0.00 -1.26 -1.23 121.76 121.21 3fk9 s ALA 28 Ca 0.20 0.77 -0.14 0.00 0.00 0.00 0.00 51.96 52.79 3fk9 s ALA 28 Cb 0.04 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.91 3fk9 s ALA 28 CO 0.02 -0.01 1.13 -2.14 0.00 0.00 0.00 175.76 174.77 3fk9 s PRO 29 N -1.24 2.45 0.00 0.00 0.02 -1.26 -4.76 135.00 130.21 3fk9 s PRO 29 Ca 0.43 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.90 3fk9 s PRO 29 Cb -0.29 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.33 3fk9 s PRO 29 CO 0.37 -1.54 0.00 0.41 -0.33 0.00 0.00 177.00 175.91 3fk9 n GLY 30 N -0.37 -0.59 0.00 0.52 0.00 -1.26 -1.87 105.19 101.61 3fk9 n GLY 30 Ca 0.11 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3fk9 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fk9 n GLY 31 N 0.00 -1.88 3.80 -0.02 0.00 0.30 -4.61 105.19 102.79 3fk9 n GLY 31 Ca 0.00 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 3fk9 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fk9 s LYS 32 N -1.69 4.32 0.25 1.61 -0.14 -1.26 -1.34 119.74 121.50 3fk9 s LYS 32 Ca 0.00 0.92 -0.31 0.00 -1.36 0.00 0.00 55.97 55.22 3fk9 s LYS 32 Cb 0.00 -3.02 -0.12 0.00 -1.68 0.00 0.00 37.83 33.01 3fk9 s LYS 32 CO 0.00 0.47 1.62 -1.33 -0.76 0.00 0.00 175.35 175.36 3fk9 n MET 33 N 1.07 2.65 -2.97 1.68 2.81 0.87 -4.95 117.12 118.28 3fk9 n MET 33 Ca -0.04 0.95 -0.25 0.00 -1.81 0.00 0.00 57.70 56.54 3fk9 n MET 33 Cb 0.50 -2.74 -0.00 0.00 -0.71 0.00 0.00 33.22 30.27 3fk9 n MET 33 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3fk9 s GLU 34 N 0.12 3.43 0.35 0.03 2.02 -1.26 -4.87 118.70 118.52 3fk9 s GLU 34 Ca 0.69 -0.11 -0.28 0.00 0.02 0.00 0.00 54.97 55.29 3fk9 s GLU 34 Cb -0.52 -2.51 -0.12 0.00 0.10 0.00 0.00 34.13 31.09 3fk9 s GLU 34 CO 0.43 -0.09 1.45 0.00 0.02 0.00 0.00 175.26 177.07 3fk9 n ALA 35 N -2.06 2.08 0.00 5.21 0.00 -1.26 -3.13 120.51 121.34 3fk9 n ALA 35 Ca -0.01 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3fk9 n ALA 35 Cb 0.56 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3fk9 n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fk9 n GLY 36 N 0.86 2.77 3.76 0.00 0.00 -1.26 -5.03 105.19 106.28 3fk9 n GLY 36 Ca 0.04 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3fk9 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fk9 s GLU 37 N 0.00 3.01 0.48 1.61 2.02 -1.18 -5.08 118.70 119.56 3fk9 s GLU 37 Ca 0.00 1.76 -0.09 0.00 0.02 0.00 0.00 54.97 56.67 3fk9 s GLU 37 Cb 0.00 -1.94 -0.05 0.00 0.10 0.00 0.00 34.13 32.24 3fk9 s GLU 37 CO 0.00 -1.16 0.83 -1.54 0.02 0.00 0.00 175.26 173.41 3fk9 s SER 38 N -1.69 6.36 0.42 -0.19 1.04 -1.26 -4.94 113.70 113.43 3fk9 s SER 38 Ca 0.76 1.11 0.19 0.00 0.48 0.00 0.00 55.95 58.49 3fk9 s SER 38 Cb -0.29 -2.32 1.11 0.00 0.10 0.00 0.00 66.02 64.62 3fk9 s SER 38 CO 0.33 -0.57 1.82 0.16 0.98 0.00 0.00 173.24 175.96 3fk9 h ILE 39 N 0.45 0.61 -0.42 -1.02 3.07 -1.99 -0.96 117.51 117.25 3fk9 h ILE 39 Ca -0.46 -0.13 -0.10 0.00 1.55 0.00 0.00 64.86 65.72 3fk9 h ILE 39 Cb 1.20 0.19 -0.01 0.00 -0.27 0.00 0.00 36.82 37.93 3fk9 h ILE 39 CO 0.62 0.07 -0.12 0.25 -1.05 0.00 0.00 178.15 177.93 3fk9 h LEU 40 N 0.38 0.83 -0.51 0.16 5.85 -2.00 -2.23 115.31 117.80 3fk9 h LEU 40 Ca 0.52 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 3fk9 h LEU 40 Cb 1.34 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 3fk9 h LEU 40 CO -0.21 1.01 0.12 -0.33 -0.34 0.00 0.00 178.44 178.69 3fk9 h GLU 41 N 0.64 0.81 0.18 1.25 5.08 -1.64 -3.05 114.58 117.85 3fk9 h GLU 41 Ca 0.10 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3fk9 h GLU 41 Cb 0.65 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3fk9 h GLU 41 CO 0.04 0.78 -0.17 1.15 -1.00 0.00 0.00 179.01 179.81 3fk9 h THR 42 N 0.70 0.61 -0.89 1.13 2.02 -1.07 -2.41 112.91 113.00 3fk9 h THR 42 Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 3fk9 h THR 42 Cb 0.34 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 3fk9 h THR 42 CO 0.00 0.00 0.52 1.62 0.37 0.00 0.00 175.52 178.03 3fk9 h VAL 43 N -0.38 1.25 -0.47 3.16 3.04 -1.42 0.21 116.25 121.64 3fk9 h VAL 43 Ca 0.00 -0.57 -0.12 0.00 -1.01 0.00 0.00 66.70 65.00 3fk9 h VAL 43 Cb 0.36 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.64 3fk9 h VAL 43 CO -0.04 0.27 -0.17 0.11 -1.01 0.00 0.00 177.57 176.73 3fk9 h LYS 44 N 1.24 0.94 -0.10 4.17 1.57 -1.50 0.15 116.57 123.03 3fk9 h LYS 44 Ca 0.32 -0.38 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3fk9 h LYS 44 Cb -0.02 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3fk9 h LYS 44 CO -0.06 1.05 -0.11 -0.09 -0.57 0.00 0.00 179.45 179.67 3fk9 h ARG 45 N 0.79 0.25 -0.35 3.15 2.43 -0.90 -2.30 114.38 117.45 3fk9 h ARG 45 Ca 0.11 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3fk9 h ARG 45 Cb 0.73 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3fk9 h ARG 45 CO 0.06 0.68 -0.03 0.93 -1.51 0.00 0.00 179.97 180.10 3fk9 h GLU 46 N -0.16 0.64 -0.47 0.20 4.39 -0.60 -0.42 114.58 118.16 3fk9 h GLU 46 Ca 0.01 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.52 3fk9 h GLU 46 Cb 0.64 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 3fk9 h GLU 46 CO 0.03 0.78 0.28 -0.92 -1.16 0.00 0.00 179.01 178.01 3fk9 h TYR 47 N 0.45 0.52 -0.68 4.33 3.20 -0.78 -1.30 116.97 122.71 3fk9 h TYR 47 Ca 0.10 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3fk9 h TYR 47 Cb 0.51 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 3fk9 h TYR 47 CO 0.04 0.30 0.43 2.35 -1.64 0.00 0.00 178.16 179.64 3fk9 h TRP 48 N 0.56 0.87 -0.27 -3.82 7.01 -1.09 -1.41 115.95 117.79 3fk9 h TRP 48 Ca 0.19 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.17 3fk9 h TRP 48 Cb 0.02 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.78 3fk9 h TRP 48 CO -0.07 0.57 0.04 0.93 -2.79 0.00 0.00 178.44 177.12 3fk9 h GLU 49 N 0.92 0.46 -0.12 2.65 5.08 -0.67 0.13 114.58 123.02 3fk9 h GLU 49 Ca 0.25 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3fk9 h GLU 49 Cb -0.07 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3fk9 h GLU 49 CO -0.05 0.58 -0.30 0.93 -1.00 0.00 0.00 179.01 179.17 3fk9 h GLU 50 N 0.27 0.23 0.00 2.33 5.08 -1.20 -3.40 114.58 117.90 3fk9 h GLU 50 Ca 0.08 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fk9 h GLU 50 Cb 0.34 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3fk9 h GLU 50 CO 0.01 0.51 -0.59 0.25 -1.00 0.00 0.00 179.01 178.19 3fk9 n THR 51 N -4.12 0.00 -0.02 1.13 -2.24 -0.54 -4.77 114.28 103.72 3fk9 n THR 51 Ca -0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3fk9 n THR 51 Cb 0.39 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 3fk9 n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fk9 n GLY 52 N 1.79 1.94 3.82 3.38 0.00 0.45 -0.67 105.19 115.89 3fk9 n GLY 52 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3fk9 n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fk9 s ILE 53 N -2.68 4.93 -0.34 -0.61 1.01 -1.26 -4.24 121.20 118.02 3fk9 s ILE 53 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 3fk9 s ILE 53 Cb 0.00 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.19 3fk9 s ILE 53 CO 0.00 0.31 0.18 -0.89 0.00 0.00 0.00 174.94 174.55 3fk9 s THR 54 N -1.26 4.70 0.07 2.92 2.01 -0.09 -3.41 115.64 120.58 3fk9 s THR 54 Ca 0.25 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 3fk9 s THR 54 Cb -0.12 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 3fk9 s THR 54 CO 0.17 -0.04 0.97 0.68 -0.69 0.00 0.00 174.62 175.70 3fk9 s VAL 55 N 1.61 4.62 -0.05 3.82 -7.23 -1.26 -1.30 120.40 120.61 3fk9 s VAL 55 Ca 0.04 2.07 -0.01 0.00 -1.81 0.00 0.00 61.98 62.27 3fk9 s VAL 55 Cb -0.18 -4.32 -0.00 0.00 0.56 0.00 0.00 36.38 32.44 3fk9 s VAL 55 CO 0.07 0.26 -0.01 0.11 -0.31 0.00 0.00 175.10 175.22 3fk9 h LYS 56 N 5.98 0.00 -2.36 4.82 1.79 -1.78 -3.42 116.57 121.60 3fk9 h LYS 56 Ca -0.42 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.45 3fk9 h LYS 56 Cb 1.21 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.45 3fk9 h LYS 56 CO 0.73 0.00 -0.72 0.09 -1.08 0.00 0.00 179.45 178.47 3fk9 n ASN 57 N -3.29 2.52 -4.75 0.86 3.02 -1.26 -5.09 115.26 107.26 3fk9 n ASN 57 Ca -0.01 -3.15 -0.35 0.00 -0.03 0.00 0.00 54.58 51.04 3fk9 n ASN 57 Cb 0.02 -0.67 0.04 0.00 -0.61 0.00 0.00 39.78 38.56 3fk9 n ASN 57 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3fk9 s PRO 58 N -1.78 2.85 -0.02 3.52 0.04 -1.26 -4.79 135.00 133.56 3fk9 s PRO 58 Ca 0.35 1.70 0.03 0.00 0.04 0.00 0.00 61.00 63.12 3fk9 s PRO 58 Cb 0.10 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.71 3fk9 s PRO 58 CO -0.08 -1.27 -0.09 -1.21 0.04 0.00 0.00 177.00 174.38 3fk9 s GLU 59 N -3.56 0.89 0.26 4.56 2.02 -0.38 -4.92 118.70 117.56 3fk9 s GLU 59 Ca 0.74 -0.32 -0.30 0.00 0.02 0.00 0.00 54.97 55.11 3fk9 s GLU 59 Cb -0.27 -0.84 -0.11 0.00 0.10 0.00 0.00 34.13 33.01 3fk9 s GLU 59 CO 0.36 0.15 1.55 -1.17 0.02 0.00 0.00 175.26 176.17 3fk9 s LEU 60 N 0.02 4.36 0.00 1.80 2.96 -1.26 -0.54 118.68 126.02 3fk9 s LEU 60 Ca -0.00 2.83 0.00 0.00 -0.22 0.00 0.00 54.13 56.74 3fk9 s LEU 60 Cb -0.07 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.00 3fk9 s LEU 60 CO 0.00 -0.84 0.00 0.29 -1.32 0.00 0.00 176.35 174.48 3fk9 n LYS 61 N 2.45 3.56 -3.72 1.98 4.76 0.26 -4.89 118.16 122.55 3fk9 n LYS 61 Ca 0.08 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.38 3fk9 n LYS 61 Cb 0.38 -0.69 -0.15 0.00 -1.84 0.00 0.00 35.03 32.73 3fk9 n LYS 61 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3fk9 s GLY 62 N -0.83 0.02 -0.23 0.72 0.00 -0.89 0.98 107.32 107.09 3fk9 s GLY 62 Ca 0.00 0.58 0.02 0.00 0.00 0.00 0.00 44.72 45.32 3fk9 s GLY 62 CO 0.00 1.18 -0.11 -0.42 0.00 0.00 0.00 173.10 173.75 3fk9 s ILE 63 N 1.54 1.92 0.01 0.90 1.09 -0.55 0.10 121.20 126.21 3fk9 s ILE 63 Ca -0.05 -1.31 0.06 0.00 -1.10 0.00 0.00 60.65 58.25 3fk9 s ILE 63 Cb -0.12 -2.00 -0.02 0.00 -1.06 0.00 0.00 42.46 39.26 3fk9 s ILE 63 CO -0.05 0.09 -0.19 -0.36 -0.10 0.00 0.00 174.94 174.32 3fk9 s PHE 64 N 1.25 1.72 -0.29 3.97 0.08 0.11 -2.60 117.98 122.22 3fk9 s PHE 64 Ca -0.05 -0.34 -0.14 0.00 0.12 0.00 0.00 56.93 56.52 3fk9 s PHE 64 Cb -0.18 -1.07 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 3fk9 s PHE 64 CO -0.07 0.02 0.33 -1.12 -0.10 0.00 0.00 175.22 174.27 3fk9 s SER 65 N -0.75 6.18 -0.20 1.36 0.01 -0.35 -0.70 113.70 119.25 3fk9 s SER 65 Ca 0.07 0.11 -0.10 0.00 1.31 0.00 0.00 55.95 57.34 3fk9 s SER 65 Cb -0.08 -2.19 -0.05 0.00 0.21 0.00 0.00 66.02 63.92 3fk9 s SER 65 CO 0.00 -0.18 0.14 -0.04 0.41 0.00 0.00 173.24 173.57 3fk9 s MET 66 N 1.99 4.18 -0.07 12.44 1.00 0.80 -1.65 119.30 138.00 3fk9 s MET 66 Ca 0.12 -0.21 0.03 0.00 0.00 0.00 0.00 55.69 55.64 3fk9 s MET 66 Cb -0.16 -3.43 0.00 0.00 0.00 0.00 0.00 34.83 31.24 3fk9 s MET 66 CO 0.11 0.28 -0.17 0.08 0.00 0.00 0.00 175.02 175.31 3fk9 s VAL 67 N 0.43 1.47 -0.20 -6.03 1.01 -0.17 -0.16 120.40 116.75 3fk9 s VAL 67 Ca 0.08 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 3fk9 s VAL 67 Cb -0.11 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3fk9 s VAL 67 CO -0.01 0.43 0.29 -0.63 0.00 0.00 0.00 175.10 175.17 3fk9 s ILE 68 N 0.36 5.29 -0.13 2.22 1.01 0.12 -0.26 121.20 129.82 3fk9 s ILE 68 Ca -0.12 0.49 0.01 0.00 0.00 0.00 0.00 60.65 61.03 3fk9 s ILE 68 Cb -0.15 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 3fk9 s ILE 68 CO 0.04 0.33 -0.16 0.12 0.00 0.00 0.00 174.94 175.27 3fk9 s PHE 69 N 0.90 2.74 -0.15 3.97 5.36 0.20 -1.17 117.98 129.83 3fk9 s PHE 69 Ca 0.15 -0.82 -0.11 0.00 -0.96 0.00 0.00 56.93 55.19 3fk9 s PHE 69 Cb -0.14 -1.82 0.05 0.00 -0.34 0.00 0.00 43.02 40.78 3fk9 s PHE 69 CO 0.05 -0.31 0.38 0.34 -1.46 0.00 0.00 175.22 174.22 3fk9 s ASP 70 N 0.43 -0.44 -1.50 6.13 2.15 -0.37 -4.28 116.67 118.78 3fk9 s ASP 70 Ca -0.12 0.80 -0.10 0.00 0.43 0.00 0.00 52.55 53.56 3fk9 s ASP 70 Cb -0.16 0.74 0.07 0.00 -0.30 0.00 0.00 42.92 43.27 3fk9 s ASP 70 CO 0.06 -0.16 0.83 -0.62 -0.17 0.00 0.00 175.17 175.11 3fk9 n GLU 71 N 3.61 -4.78 -0.27 4.34 -0.58 -1.26 -1.88 120.64 119.83 3fk9 n GLU 71 Ca -0.19 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 3fk9 n GLU 71 Cb 0.56 -5.25 0.00 0.00 -0.57 0.00 0.00 31.44 26.17 3fk9 n GLU 71 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fk9 n GLY 72 N -1.66 1.20 3.57 0.62 0.00 -1.26 -5.00 105.19 102.67 3fk9 n GLY 72 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 3fk9 n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fk9 s LYS 73 N -0.17 2.19 0.03 1.61 0.00 -0.79 -5.09 119.74 117.52 3fk9 s LYS 73 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 55.97 54.69 3fk9 s LYS 73 Cb 0.00 -2.33 -0.09 0.00 0.00 0.00 0.00 37.83 35.42 3fk9 s LYS 73 CO 0.00 0.52 1.90 0.42 0.00 0.00 0.00 175.35 178.20 3fk9 s ILE 74 N -1.16 3.06 -0.30 3.79 1.01 -1.26 -1.24 121.20 125.09 3fk9 s ILE 74 Ca 0.20 0.14 0.11 0.00 0.00 0.00 0.00 60.65 61.10 3fk9 s ILE 74 Cb -0.11 -3.09 -0.15 0.00 0.01 0.00 0.00 42.46 39.12 3fk9 s ILE 74 CO 0.12 -0.01 0.38 1.33 0.00 0.00 0.00 174.94 176.76 3fk9 n VAL 75 N 5.45 0.00 -3.59 2.92 0.24 -0.32 -4.95 118.33 118.08 3fk9 n VAL 75 Ca 0.19 -0.25 -0.15 0.00 -2.04 0.00 0.00 64.34 62.09 3fk9 n VAL 75 Cb 0.41 0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 33.38 3fk9 n VAL 75 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3fk9 s SER 76 N -2.61 -0.69 -0.08 -1.34 0.15 -1.16 -4.98 113.70 102.99 3fk9 s SER 76 Ca 0.01 1.12 -0.04 0.00 0.70 0.00 0.00 55.95 57.74 3fk9 s SER 76 Cb 0.08 1.06 0.04 0.00 -1.71 0.00 0.00 66.02 65.49 3fk9 s SER 76 CO 0.47 -0.38 0.17 -0.70 1.20 0.00 0.00 173.24 174.00 3fk9 s GLU 77 N -0.25 0.13 0.26 5.44 2.12 -1.26 0.12 118.70 125.26 3fk9 s GLU 77 Ca -0.04 0.40 0.02 0.00 0.36 0.00 0.00 54.97 55.72 3fk9 s GLU 77 Cb -0.03 -0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.18 3fk9 s GLU 77 CO 0.04 -0.16 0.16 1.67 -0.54 0.00 0.00 175.26 176.43 3fk9 s TRP 78 N 1.12 1.44 -0.05 5.30 -2.14 0.78 -4.28 118.94 121.11 3fk9 s TRP 78 Ca -0.09 -1.40 0.04 0.00 2.66 0.00 0.00 56.10 57.31 3fk9 s TRP 78 Cb -0.10 -0.72 -0.03 0.00 -3.10 0.00 0.00 33.47 29.52 3fk9 s TRP 78 CO -0.06 -0.61 -0.14 -1.64 -2.66 0.00 0.00 176.95 171.84 3fk9 s MET 79 N -3.92 2.50 -0.06 3.25 -1.94 -0.76 -0.14 119.30 118.23 3fk9 s MET 79 Ca 0.38 -0.70 0.04 0.00 -1.71 0.00 0.00 55.69 53.70 3fk9 s MET 79 Cb 0.06 -2.38 0.00 0.00 2.01 0.00 0.00 34.83 34.52 3fk9 s MET 79 CO 0.17 0.62 -0.18 -1.17 -0.01 0.00 0.00 175.02 174.45 3fk9 s LEU 80 N -0.74 1.89 -0.25 -0.03 2.96 0.13 -1.14 118.68 121.50 3fk9 s LEU 80 Ca 0.11 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3fk9 s LEU 80 Cb -0.11 -1.03 0.05 0.00 0.50 0.00 0.00 46.19 45.61 3fk9 s LEU 80 CO 0.01 0.13 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.70 3fk9 s PHE 81 N 0.21 3.17 -0.22 5.38 0.08 -0.21 -0.71 117.98 125.68 3fk9 s PHE 81 Ca -0.09 -2.10 -0.09 0.00 0.12 0.00 0.00 56.93 54.78 3fk9 s PHE 81 Cb -0.14 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 3fk9 s PHE 81 CO 0.04 -0.85 0.10 0.99 -0.10 0.00 0.00 175.22 175.40 3fk9 s THR 82 N 1.17 4.90 0.27 0.64 2.01 0.11 -1.77 115.64 122.96 3fk9 s THR 82 Ca -0.06 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.03 3fk9 s THR 82 Cb -0.19 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 3fk9 s THR 82 CO -0.06 0.39 0.24 -0.36 -0.69 0.00 0.00 174.62 174.14 3fk9 s PHE 83 N 0.91 3.10 0.03 4.92 0.08 0.70 -0.58 117.98 127.14 3fk9 s PHE 83 Ca 0.05 -0.14 0.04 0.00 0.12 0.00 0.00 56.93 57.00 3fk9 s PHE 83 Cb -0.13 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.79 3fk9 s PHE 83 CO 0.03 0.43 -0.13 0.21 -0.10 0.00 0.00 175.22 175.66 3fk9 s LYS 84 N -3.89 0.89 -0.14 0.44 2.20 0.30 -0.73 119.74 118.81 3fk9 s LYS 84 Ca 0.35 -0.65 -0.19 0.00 -0.36 0.00 0.00 55.97 55.12 3fk9 s LYS 84 Cb -0.08 -0.87 0.05 0.00 -1.51 0.00 0.00 37.83 35.42 3fk9 s LYS 84 CO 0.26 0.22 0.49 0.00 -0.36 0.00 0.00 175.35 175.96 3fk9 s ALA 85 N -0.72 -1.22 -0.15 3.13 0.00 -0.80 -1.25 121.76 120.75 3fk9 s ALA 85 Ca 0.01 1.20 0.02 0.00 0.00 0.00 0.00 51.96 53.19 3fk9 s ALA 85 Cb -0.07 -0.54 -0.10 0.00 0.00 0.00 0.00 23.12 22.40 3fk9 s ALA 85 CO 0.01 -0.26 -0.13 0.25 0.00 0.00 0.00 175.76 175.63 3fk9 n THR 86 N 2.27 0.87 -3.68 0.00 -2.24 -1.26 -0.94 114.28 109.30 3fk9 n THR 86 Ca -0.16 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 60.95 3fk9 n THR 86 Cb 0.56 -1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 67.72 3fk9 n THR 86 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3fk9 s GLU 87 N -2.30 3.64 0.07 -0.78 8.01 -1.26 -4.53 118.70 121.55 3fk9 s GLU 87 Ca -0.20 -0.02 -0.26 0.00 0.01 0.00 0.00 54.97 54.50 3fk9 s GLU 87 Cb 0.05 -2.97 0.09 0.00 -4.31 0.00 0.00 34.13 26.99 3fk9 s GLU 87 CO 0.36 0.56 0.79 -3.38 0.01 0.00 0.00 175.26 173.59 3fk9 s HIS 88 N -1.46 -0.40 0.09 1.61 -3.43 -1.26 -2.02 115.29 108.42 3fk9 s HIS 88 Ca 0.34 0.22 0.04 0.00 -0.80 0.00 0.00 55.06 54.86 3fk9 s HIS 88 Cb -0.13 0.56 -0.03 0.00 -1.43 0.00 0.00 32.58 31.54 3fk9 s HIS 88 CO 0.20 -0.69 -0.12 -1.21 -2.00 0.00 0.00 174.74 170.93 3fk9 s GLU 89 N -3.37 0.85 0.00 -0.38 2.02 -0.42 -4.97 118.70 112.42 3fk9 s GLU 89 Ca 0.04 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 53.94 3fk9 s GLU 89 Cb -0.01 -0.65 0.00 0.00 0.10 0.00 0.00 34.13 33.57 3fk9 s GLU 89 CO -0.09 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.72 3fk9 n GLY 90 N 0.79 2.39 3.64 -1.39 0.00 -1.26 -0.92 105.19 108.45 3fk9 n GLY 90 Ca -0.18 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 3fk9 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fk9 s GLU 91 N -2.77 4.11 0.20 1.61 0.41 -1.26 -4.82 118.70 116.17 3fk9 s GLU 91 Ca 0.00 0.18 -0.33 0.00 -0.41 0.00 0.00 54.97 54.41 3fk9 s GLU 91 Cb 0.00 -3.60 -0.14 0.00 -1.78 0.00 0.00 34.13 28.61 3fk9 s GLU 91 CO 0.00 -0.17 1.41 -0.12 -0.49 0.00 0.00 175.26 175.89 3fk9 n MET 92 N 4.94 1.87 -2.40 1.61 1.56 -1.26 -4.50 117.12 118.95 3fk9 n MET 92 Ca -0.07 0.67 -0.40 0.00 -0.27 0.00 0.00 57.70 57.62 3fk9 n MET 92 Cb 0.51 -2.33 -0.04 0.00 2.15 0.00 0.00 33.22 33.51 3fk9 n MET 92 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3fk9 s LEU 93 N 0.40 4.52 0.01 -0.89 1.43 0.15 -4.98 118.68 119.33 3fk9 s LEU 93 Ca 0.73 2.36 -0.15 0.00 -1.03 0.00 0.00 54.13 56.04 3fk9 s LEU 93 Cb -0.71 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 41.80 3fk9 s LEU 93 CO 0.47 -0.23 1.04 0.07 0.23 0.00 0.00 176.35 177.93 3fk9 h LYS 94 N 3.71 -0.51 -5.98 1.70 5.09 -1.93 -3.42 116.57 115.23 3fk9 h LYS 94 Ca -0.47 0.04 -0.59 0.00 0.09 0.00 0.00 60.65 59.71 3fk9 h LYS 94 Cb 1.21 0.12 -0.04 0.00 0.10 0.00 0.00 32.23 33.62 3fk9 h LYS 94 CO 0.67 -0.34 -0.49 -1.14 -2.09 0.00 0.00 179.45 176.05 3fk9 s GLN 95 N -3.85 3.40 0.37 0.07 2.00 -1.26 -3.60 119.66 116.79 3fk9 s GLN 95 Ca -0.08 -0.52 0.05 0.00 -2.00 0.00 0.00 55.36 52.81 3fk9 s GLN 95 Cb 0.01 -2.99 -0.06 0.00 0.80 0.00 0.00 33.01 30.77 3fk9 s GLN 95 CO 0.23 0.57 0.04 0.45 -0.50 0.00 0.00 175.29 176.09 3fk9 s SER 96 N -2.77 3.05 0.35 6.67 0.15 -0.82 -4.99 113.70 115.34 3fk9 s SER 96 Ca 0.34 -1.42 0.24 0.00 0.70 0.00 0.00 55.95 55.82 3fk9 s SER 96 Cb -0.12 -0.10 0.47 0.00 -1.71 0.00 0.00 66.02 64.55 3fk9 s SER 96 CO 0.28 -0.60 1.62 -0.65 1.20 0.00 0.00 173.24 175.10 3fk9 h PRO 97 N 1.92 0.00 -0.00 5.44 0.11 -1.95 -3.22 132.00 134.30 3fk9 h PRO 97 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3fk9 h PRO 97 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3fk9 h PRO 97 CO 0.73 0.00 -0.19 0.39 -0.21 0.00 0.00 178.00 178.72 3fk9 n GLU 98 N -2.79 0.06 -0.84 1.05 4.71 -1.26 -5.01 120.64 116.56 3fk9 n GLU 98 Ca 0.04 -0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 3fk9 n GLU 98 Cb 0.50 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.43 3fk9 n GLU 98 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3fk9 n GLY 99 N 1.48 0.63 3.75 0.62 0.00 -1.22 -4.19 105.19 106.26 3fk9 n GLY 99 Ca 0.07 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.99 3fk9 n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fk9 s LYS 100 N -2.00 4.19 -0.04 1.61 -0.14 -0.17 -1.94 119.74 121.25 3fk9 s LYS 100 Ca 0.00 0.22 -0.19 0.00 -1.36 0.00 0.00 55.97 54.64 3fk9 s LYS 100 Cb 0.00 -3.39 -0.05 0.00 -1.68 0.00 0.00 37.83 32.71 3fk9 s LYS 100 CO 0.00 0.31 0.54 -0.51 -0.76 0.00 0.00 175.35 174.93 3fk9 s LEU 101 N 0.21 4.38 -0.13 3.17 1.43 -1.24 -0.47 118.68 126.03 3fk9 s LEU 101 Ca 0.20 1.03 -0.10 0.00 -1.03 0.00 0.00 54.13 54.22 3fk9 s LEU 101 Cb -0.14 -2.81 0.04 0.00 0.03 0.00 0.00 46.19 43.30 3fk9 s LEU 101 CO 0.07 0.09 0.33 -0.70 0.23 0.00 0.00 176.35 176.37 3fk9 s GLU 102 N -0.00 0.36 -0.05 1.70 2.12 -0.35 -4.97 118.70 117.51 3fk9 s GLU 102 Ca 0.29 0.52 -0.30 0.00 0.36 0.00 0.00 54.97 55.84 3fk9 s GLU 102 Cb -0.17 0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.29 3fk9 s GLU 102 CO 0.15 -0.08 1.35 -1.58 -0.54 0.00 0.00 175.26 174.56 3fk9 s TRP 103 N 0.51 2.83 0.11 5.30 0.52 -1.26 -1.42 118.94 125.52 3fk9 s TRP 103 Ca -0.03 0.88 0.09 0.00 0.02 0.00 0.00 56.10 57.06 3fk9 s TRP 103 Cb -0.04 -3.60 -0.04 0.00 -1.15 0.00 0.00 33.47 28.63 3fk9 s TRP 103 CO -0.03 -2.19 -0.18 0.15 0.02 0.00 0.00 176.95 174.72 3fk9 s LYS 104 N 2.77 1.81 0.17 4.98 -0.14 0.68 -4.85 119.74 125.15 3fk9 s LYS 104 Ca 0.61 -1.16 -0.31 0.00 -1.36 0.00 0.00 55.97 53.75 3fk9 s LYS 104 Cb -0.28 -2.12 -0.10 0.00 -1.68 0.00 0.00 37.83 33.66 3fk9 s LYS 104 CO 0.23 0.49 1.50 0.15 -0.76 0.00 0.00 175.35 176.96 3fk9 s LYS 105 N -2.04 4.25 0.22 1.68 1.02 -1.26 0.80 119.74 124.40 3fk9 s LYS 105 Ca 0.17 2.28 -0.18 0.00 0.02 0.00 0.00 55.97 58.26 3fk9 s LYS 105 Cb -0.11 -3.17 0.22 0.00 -0.52 0.00 0.00 37.83 34.25 3fk9 s LYS 105 CO 0.09 -0.53 1.56 -0.22 -0.92 0.00 0.00 175.35 175.33 3fk9 h LYS 106 N 6.53 -0.05 0.00 1.68 3.64 -1.63 -0.62 116.57 126.12 3fk9 h LYS 106 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3fk9 h LYS 106 Cb 1.21 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3fk9 h LYS 106 CO 0.88 -0.03 0.00 -0.25 -2.27 0.00 0.00 179.45 177.78 3fk9 n ASP 107 N -5.47 0.00 0.03 4.20 8.00 -1.26 -2.37 116.55 119.68 3fk9 n ASP 107 Ca 0.09 -0.31 0.11 0.00 0.71 0.00 0.00 54.79 55.39 3fk9 n ASP 107 Cb 0.39 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 3fk9 n ASP 107 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3fk9 n GLU 108 N -1.19 0.46 -0.22 -1.24 1.02 -0.26 -4.65 120.64 114.56 3fk9 n GLU 108 Ca 0.14 -0.05 0.02 0.00 -0.02 0.00 0.00 57.16 57.25 3fk9 n GLU 108 Cb 0.16 -1.61 0.13 0.00 -0.02 0.00 0.00 31.44 30.11 3fk9 n GLU 108 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3fk9 h VAL 109 N 0.00 0.69 0.00 2.62 2.07 -1.24 -1.07 116.25 119.32 3fk9 h VAL 109 Ca 0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3fk9 h VAL 109 Cb 0.87 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3fk9 h VAL 109 CO 0.00 0.07 0.00 0.18 0.02 0.00 0.00 177.57 177.84 3fk9 n LEU 110 N -5.04 0.31 -0.56 2.57 4.77 -1.26 -1.64 117.00 116.16 3fk9 n LEU 110 Ca 0.11 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 56.81 3fk9 n LEU 110 Cb 0.34 -0.59 0.22 0.00 -2.33 0.00 0.00 43.42 41.05 3fk9 n LEU 110 CO 0.19 -0.55 0.59 -0.62 -1.33 0.00 0.00 177.39 175.67 3fk9 n GLU 111 N -1.87 1.51 -2.48 3.23 1.02 -0.41 -4.95 120.64 116.69 3fk9 n GLU 111 Ca 0.01 -1.12 -0.34 0.00 -0.02 0.00 0.00 57.16 55.70 3fk9 n GLU 111 Cb 0.12 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 3fk9 n GLU 111 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fk9 s LEU 112 N -2.26 3.79 0.08 -4.62 1.43 -0.65 -4.99 118.68 111.46 3fk9 s LEU 112 Ca 0.26 1.88 -0.31 0.00 -1.03 0.00 0.00 54.13 54.94 3fk9 s LEU 112 Cb 0.19 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.78 3fk9 s LEU 112 CO 0.44 -0.80 1.60 -2.16 0.23 0.00 0.00 176.35 175.66 3fk9 s PRO 113 N -3.38 4.22 0.14 1.29 0.04 -1.26 -4.95 135.00 131.09 3fk9 s PRO 113 Ca 0.66 2.28 -0.24 0.00 0.04 0.00 0.00 61.00 63.75 3fk9 s PRO 113 Cb -0.16 -3.52 0.07 0.00 0.04 0.00 0.00 34.50 30.94 3fk9 s PRO 113 CO 0.22 -0.68 0.61 0.00 0.04 0.00 0.00 177.00 177.19 3fk9 s MET 114 N 2.33 1.26 0.49 4.56 0.23 -1.26 -1.53 119.30 125.38 3fk9 s MET 114 Ca 0.72 -0.42 -0.23 0.00 -1.03 0.00 0.00 55.69 54.73 3fk9 s MET 114 Cb -0.39 0.58 -0.08 0.00 -1.53 0.00 0.00 34.83 33.41 3fk9 s MET 114 CO 0.31 -0.54 1.11 0.00 -2.03 0.00 0.00 175.02 173.87 3fk9 n ALA 115 N -0.30 0.68 0.14 3.16 0.00 -1.26 -4.87 120.51 118.06 3fk9 n ALA 115 Ca -0.17 0.16 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 3fk9 n ALA 115 Cb 0.64 -2.18 0.27 0.00 0.00 0.00 0.00 19.45 18.18 3fk9 n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fk9 h ALA 116 N 1.36 1.19 -0.78 0.00 0.00 -2.00 -2.04 119.26 117.00 3fk9 h ALA 116 Ca -0.47 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 53.97 3fk9 h ALA 116 Cb 1.33 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3fk9 h ALA 116 CO 0.56 0.57 0.29 0.78 0.00 0.00 0.00 179.25 181.45 3fk9 h GLY 117 N 1.30 1.26 2.00 0.00 0.00 -1.95 -2.56 103.07 103.11 3fk9 h GLY 117 Ca 0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 3fk9 h GLY 117 CO 0.06 0.66 -0.09 -0.55 0.00 0.00 0.00 176.54 176.63 3fk9 h ASP 118 N 1.14 0.00 -0.30 0.19 3.32 -1.73 -2.43 116.42 116.61 3fk9 h ASP 118 Ca 0.26 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 3fk9 h ASP 118 Cb 0.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3fk9 h ASP 118 CO -0.02 0.09 0.15 0.11 -1.72 0.00 0.00 179.24 177.85 3fk9 h LYS 119 N 0.00 0.42 -0.28 3.56 1.57 -1.42 0.65 116.57 121.08 3fk9 h LYS 119 Ca -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3fk9 h LYS 119 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3fk9 h LYS 119 CO 0.01 0.38 0.17 -1.49 -0.57 0.00 0.00 179.45 177.96 3fk9 h TRP 120 N 0.35 0.37 -0.33 -1.35 4.06 -1.48 0.23 115.95 117.80 3fk9 h TRP 120 Ca 0.10 -0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.10 3fk9 h TRP 120 Cb 0.09 -0.12 -0.04 0.00 -1.00 0.00 0.00 29.16 28.09 3fk9 h TRP 120 CO -0.02 0.27 0.09 0.82 -3.56 0.00 0.00 178.44 176.04 3fk9 h ILE 121 N 0.36 0.87 -0.48 1.49 2.04 -1.32 -1.50 117.51 118.97 3fk9 h ILE 121 Ca 0.10 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.80 3fk9 h ILE 121 Cb 0.01 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3fk9 h ILE 121 CO -0.02 0.04 -0.03 -0.26 0.00 0.00 0.00 178.15 177.88 3fk9 h PHE 122 N 0.22 0.95 -0.38 1.37 0.04 -0.51 -0.91 116.94 117.73 3fk9 h PHE 122 Ca 0.15 -0.18 0.07 0.00 2.80 0.00 0.00 57.97 60.82 3fk9 h PHE 122 Cb 0.15 -0.24 -0.06 0.00 2.20 0.00 0.00 35.95 37.99 3fk9 h PHE 122 CO -0.16 0.91 -0.03 -0.22 -0.60 0.00 0.00 178.31 178.22 3fk9 h LYS 123 N 0.72 0.07 0.45 1.51 3.64 -0.29 -0.80 116.57 121.89 3fk9 h LYS 123 Ca 0.13 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3fk9 h LYS 123 Cb 0.55 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3fk9 h LYS 123 CO 0.03 0.05 -0.22 1.25 -2.27 0.00 0.00 179.45 178.29 3fk9 h HIS 124 N 0.07 -0.57 -0.37 1.91 2.76 -1.15 -3.34 115.15 114.46 3fk9 h HIS 124 Ca 0.19 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 3fk9 h HIS 124 Cb 0.27 0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 3fk9 h HIS 124 CO -0.28 -0.35 0.15 0.28 -1.30 0.00 0.00 177.93 176.43 3fk9 h VAL 125 N -0.93 1.14 0.00 5.26 2.07 -1.10 0.70 116.25 123.39 3fk9 h VAL 125 Ca -0.06 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3fk9 h VAL 125 Cb 0.47 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3fk9 h VAL 125 CO 0.10 0.17 0.00 -0.07 0.02 0.00 0.00 177.57 177.79 3fk9 h LEU 126 N 0.52 0.00 -1.80 2.57 3.38 -1.31 -3.28 115.31 115.39 3fk9 h LEU 126 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3fk9 h LEU 126 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3fk9 h LEU 126 CO -0.01 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.93 3fk9 n HIS 127 N -3.03 0.00 -3.83 1.13 8.25 0.13 -5.05 115.22 112.82 3fk9 n HIS 127 Ca -0.01 -0.23 -0.10 0.00 -0.26 0.00 0.00 57.72 57.12 3fk9 n HIS 127 Cb 0.18 -0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.19 3fk9 n HIS 127 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3fk9 s SER 128 N -0.45 0.03 0.00 0.41 0.15 -0.55 -5.03 113.70 108.25 3fk9 s SER 128 Ca 0.00 -0.42 0.10 0.00 0.70 0.00 0.00 55.95 56.33 3fk9 s SER 128 Cb 0.00 0.32 0.21 0.00 -1.71 0.00 0.00 66.02 64.84 3fk9 s SER 128 CO 0.00 -0.62 1.09 0.47 1.20 0.00 0.00 173.24 175.37 3fk9 n ASP 129 N 0.43 2.50 -4.81 5.45 8.00 -1.26 -4.64 116.55 122.21 3fk9 n ASP 129 Ca -0.18 -1.79 -0.33 0.00 0.71 0.00 0.00 54.79 53.20 3fk9 n ASP 129 Cb 0.60 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.51 3fk9 n ASP 129 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3fk9 s ARG 130 N -0.95 4.06 0.25 -1.24 3.00 -1.26 -5.02 118.95 117.79 3fk9 s ARG 130 Ca 0.18 1.19 -0.30 0.00 0.00 0.00 0.00 55.73 56.80 3fk9 s ARG 130 Cb 0.10 -2.15 -0.10 0.00 0.00 0.00 0.00 34.95 32.81 3fk9 s ARG 130 CO 0.14 -0.19 1.38 -0.51 0.00 0.00 0.00 175.30 176.12 3fk9 s LEU 131 N -3.36 4.40 -0.17 2.53 1.02 -1.26 -4.90 118.68 116.94 3fk9 s LEU 131 Ca 0.63 2.59 -0.02 0.00 0.02 0.00 0.00 54.13 57.36 3fk9 s LEU 131 Cb -0.11 -3.62 -0.01 0.00 0.02 0.00 0.00 46.19 42.46 3fk9 s LEU 131 CO 0.17 -0.62 -0.09 -0.22 0.02 0.00 0.00 176.35 175.61 3fk9 s LEU 132 N -0.57 2.82 0.07 1.79 2.96 0.28 -4.32 118.68 121.69 3fk9 s LEU 132 Ca 0.56 -0.34 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 3fk9 s LEU 132 Cb -0.40 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 3fk9 s LEU 132 CO 0.44 0.09 -0.19 -0.31 -1.32 0.00 0.00 176.35 175.06 3fk9 s TYR 133 N 0.81 2.53 0.00 5.38 2.02 0.40 -1.48 117.35 127.01 3fk9 s TYR 133 Ca -0.03 -0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 56.10 3fk9 s TYR 133 Cb -0.15 -1.42 0.11 0.00 -0.40 0.00 0.00 41.96 40.11 3fk9 s TYR 133 CO 0.01 0.29 1.26 0.20 -1.57 0.00 0.00 175.55 175.74 3fk9 s GLY 134 N -1.66 -0.37 -0.02 0.71 0.00 -1.07 -0.40 107.32 104.50 3fk9 s GLY 134 Ca 0.15 0.59 0.01 0.00 0.00 0.00 0.00 44.72 45.47 3fk9 s GLY 134 CO 0.07 0.51 -0.02 -1.59 0.00 0.00 0.00 173.10 172.07 3fk9 s THR 135 N -2.46 0.26 -0.10 0.90 2.01 -0.66 -1.21 115.64 114.38 3fk9 s THR 135 Ca 0.15 -0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.16 3fk9 s THR 135 Cb 0.04 -0.29 -0.00 0.00 0.01 0.00 0.00 72.50 72.26 3fk9 s THR 135 CO -0.03 0.13 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.44 3fk9 s PHE 136 N 0.56 2.58 -0.25 4.92 0.08 -0.66 -1.22 117.98 123.98 3fk9 s PHE 136 Ca -0.06 -0.92 -0.09 0.00 0.12 0.00 0.00 56.93 55.98 3fk9 s PHE 136 Cb -0.09 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 3fk9 s PHE 136 CO -0.01 -0.34 0.13 -1.01 -0.10 0.00 0.00 175.22 173.88 3fk9 s HIS 137 N 0.23 3.18 0.33 0.36 3.76 -0.38 -1.00 115.29 121.77 3fk9 s HIS 137 Ca -0.15 -0.09 0.09 0.00 -0.15 0.00 0.00 55.06 54.76 3fk9 s HIS 137 Cb -0.17 -2.28 -0.05 0.00 1.11 0.00 0.00 32.58 31.18 3fk9 s HIS 137 CO 0.07 -0.19 -0.01 0.71 -0.85 0.00 0.00 174.74 174.47 3fk9 s TYR 138 N 1.51 2.54 0.56 1.40 2.02 0.65 -0.33 117.35 125.69 3fk9 s TYR 138 Ca 0.06 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.34 3fk9 s TYR 138 Cb -0.15 -1.42 0.02 0.00 -0.40 0.00 0.00 41.96 40.02 3fk9 s TYR 138 CO 0.06 0.51 0.81 0.95 -1.57 0.00 0.00 175.55 176.32 3fk9 s THR 139 N -2.50 3.22 0.66 -0.71 -4.23 -0.84 0.62 115.64 111.86 3fk9 s THR 139 Ca 0.34 -0.40 0.31 0.00 -1.18 0.00 0.00 61.69 60.77 3fk9 s THR 139 Cb -0.01 -3.24 0.32 0.00 1.34 0.00 0.00 72.50 70.90 3fk9 s THR 139 CO 0.19 -0.21 1.96 -0.65 -0.54 0.00 0.00 174.62 175.37 3fk9 h PRO 140 N -0.00 0.00 -0.53 3.99 0.11 -1.93 0.12 132.00 133.76 3fk9 h PRO 140 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3fk9 h PRO 140 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3fk9 h PRO 140 CO 0.57 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.11 3fk9 n ASP 141 N -2.95 3.55 -1.76 -2.05 8.00 -1.26 -4.95 116.55 115.12 3fk9 n ASP 141 Ca -0.02 -1.99 -0.11 0.00 0.71 0.00 0.00 54.79 53.39 3fk9 n ASP 141 Cb 0.37 -0.35 0.03 0.00 -0.02 0.00 0.00 41.12 41.15 3fk9 n ASP 141 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3fk9 n PHE 142 N 1.49 -1.16 -3.16 1.24 3.72 0.42 -5.03 117.46 114.98 3fk9 n PHE 142 Ca 0.21 0.37 -0.40 0.00 -0.05 0.00 0.00 57.45 57.59 3fk9 n PHE 142 Cb 0.59 -2.77 -0.06 0.00 -0.94 0.00 0.00 39.48 36.31 3fk9 n PHE 142 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3fk9 s GLU 143 N -5.38 4.25 -0.19 -1.08 2.12 -1.26 -4.72 118.70 112.43 3fk9 s GLU 143 Ca 0.22 0.58 -0.29 0.00 0.36 0.00 0.00 54.97 55.84 3fk9 s GLU 143 Cb -0.10 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.72 3fk9 s GLU 143 CO 0.27 -0.14 1.61 -1.17 -0.54 0.00 0.00 175.26 175.29 3fk9 s LEU 144 N 1.57 3.97 0.03 2.70 2.96 -1.26 -1.98 118.68 126.66 3fk9 s LEU 144 Ca 0.28 1.71 -0.01 0.00 -0.22 0.00 0.00 54.13 55.90 3fk9 s LEU 144 Cb -0.16 -3.53 -0.27 0.00 0.50 0.00 0.00 46.19 42.73 3fk9 s LEU 144 CO 0.11 -1.19 0.96 -0.07 -1.32 0.00 0.00 176.35 174.84 3fk9 h LEU 145 N 11.42 0.33 -7.40 -0.68 3.38 -1.00 -3.49 115.31 117.87 3fk9 h LEU 145 Ca -0.34 -0.42 0.37 0.00 0.09 0.00 0.00 57.88 57.58 3fk9 h LEU 145 Cb 1.15 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.69 3fk9 h LEU 145 CO 0.99 1.34 0.94 -0.94 0.09 0.00 0.00 178.44 180.87 3fk9 s SER 146 N -6.93 -0.01 -0.01 -0.43 1.04 -1.15 -5.00 113.70 101.20 3fk9 s SER 146 Ca -0.06 -0.07 -0.27 0.00 0.48 0.00 0.00 55.95 56.02 3fk9 s SER 146 Cb 0.07 0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.33 3fk9 s SER 146 CO 0.85 -0.14 0.60 -0.72 0.98 0.00 0.00 173.24 174.82 3fk9 s TYR 147 N -2.12 -0.55 -0.20 5.02 -0.85 -1.26 -1.25 117.35 116.14 3fk9 s TYR 147 Ca 0.20 0.85 0.01 0.00 -0.52 0.00 0.00 57.07 57.61 3fk9 s TYR 147 Cb 0.04 0.37 0.04 0.00 0.38 0.00 0.00 41.96 42.79 3fk9 s TYR 147 CO -0.04 -0.61 -0.14 1.03 -1.52 0.00 0.00 175.55 174.27 3fk9 s ARG 148 N -1.63 2.38 0.14 -3.49 0.52 -0.36 -4.98 118.95 111.53 3fk9 s ARG 148 Ca -0.09 -0.90 0.09 0.00 -0.52 0.00 0.00 55.73 54.30 3fk9 s ARG 148 Cb -0.01 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 3fk9 s ARG 148 CO 0.05 -0.37 -0.16 -0.51 0.02 0.00 0.00 175.30 174.34 3fk9 s LEU 149 N 1.32 2.78 -0.25 2.53 1.43 -1.26 -1.66 118.68 123.58 3fk9 s LEU 149 Ca -0.00 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.49 3fk9 s LEU 149 Cb -0.16 -1.57 0.13 0.00 0.03 0.00 0.00 46.19 44.63 3fk9 s LEU 149 CO -0.09 0.15 0.45 -0.62 0.23 0.00 0.00 176.35 176.47 3fk9 s ASP 150 N -2.37 -0.27 0.49 2.29 -1.08 0.46 -3.37 116.67 112.82 3fk9 s ASP 150 Ca 0.20 0.61 -0.23 0.00 -0.52 0.00 0.00 52.55 52.61 3fk9 s ASP 150 Cb -0.10 1.44 -0.06 0.00 -1.46 0.00 0.00 42.92 42.74 3fk9 s ASP 150 CO 0.12 -0.27 1.31 -2.16 0.52 0.00 0.00 175.17 174.68 3fk9 s PRO 151 N 2.64 3.49 0.32 4.34 0.04 -1.26 -0.45 135.00 144.12 3fk9 s PRO 151 Ca 0.10 2.12 -0.27 0.00 0.04 0.00 0.00 61.00 62.99 3fk9 s PRO 151 Cb -0.14 -2.42 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 3fk9 s PRO 151 CO -0.16 -0.88 1.05 -1.83 0.04 0.00 0.00 177.00 175.22 3fk9 s GLU 152 N -2.70 4.48 0.00 4.56 1.03 -1.22 -4.92 118.70 119.93 3fk9 s GLU 152 Ca 0.66 1.61 0.00 0.00 0.03 0.00 0.00 54.97 57.27 3fk9 s GLU 152 Cb -0.37 -2.92 0.00 0.00 -0.80 0.00 0.00 34.13 30.04 3fk9 s GLU 152 CO 0.45 0.12 0.22 -2.30 -1.33 0.00 0.00 175.26 172.42