#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kf6 n ARG 17 N 0.00 3.42 -0.07 1.43 0.63 -1.26 -5.07 116.66 115.74 3kf6 n ARG 17 Ca 0.00 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.97 3kf6 n ARG 17 Cb 0.00 0.00 0.07 0.00 0.45 0.00 0.00 32.46 32.98 3kf6 n ARG 17 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 3kf6 n TRP 18 N 0.00 0.19 -0.31 -0.14 2.14 -1.26 -4.64 117.44 113.42 3kf6 n TRP 18 Ca 0.00 -0.32 0.00 0.00 2.07 0.00 0.00 57.50 59.25 3kf6 n TRP 18 Cb 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 31.31 30.48 3kf6 n TRP 18 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 3kf6 n ASN 19 N 0.24 0.00 -4.66 -0.67 3.02 -1.23 -2.47 115.26 109.49 3kf6 n ASN 19 Ca 0.06 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.18 3kf6 n ASN 19 Cb 0.30 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.44 3kf6 n ASN 19 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3kf6 s PRO 20 N 0.00 4.26 0.12 3.52 0.04 -1.26 -1.64 135.00 140.04 3kf6 s PRO 20 Ca 0.00 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.57 3kf6 s PRO 20 Cb 0.00 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 3kf6 s PRO 20 CO 0.00 -0.63 -0.08 -1.64 0.04 0.00 0.00 177.00 174.69 3kf6 s MET 21 N 3.19 0.95 0.21 4.56 -1.94 -0.56 -4.71 119.30 121.00 3kf6 s MET 21 Ca 0.49 -1.39 -0.16 0.00 -1.71 0.00 0.00 55.69 52.92 3kf6 s MET 21 Cb -0.18 -0.41 -0.08 0.00 2.01 0.00 0.00 34.83 36.17 3kf6 s MET 21 CO 0.11 0.03 0.64 -0.06 -0.01 0.00 0.00 175.02 175.73 3kf6 s PHE 22 N -3.48 3.56 0.30 -0.03 0.40 -1.26 -4.54 117.98 112.93 3kf6 s PHE 22 Ca 0.14 1.18 -0.00 0.00 -0.60 0.00 0.00 56.93 57.65 3kf6 s PHE 22 Cb 0.04 -2.47 0.50 0.00 0.51 0.00 0.00 43.02 41.60 3kf6 s PHE 22 CO -0.02 0.32 1.94 0.82 0.70 0.00 0.00 175.22 178.98 3kf6 h ILE 23 N 2.54 1.14 -0.48 0.64 2.04 -1.94 -1.39 117.51 120.06 3kf6 h ILE 23 Ca -0.48 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.03 3kf6 h ILE 23 Cb 1.19 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3kf6 h ILE 23 CO 0.66 0.19 0.32 0.77 0.00 0.00 0.00 178.15 180.09 3kf6 h SER 24 N 1.06 0.51 0.76 1.72 4.64 -1.80 -1.30 113.55 119.14 3kf6 h SER 24 Ca 0.34 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.47 3kf6 h SER 24 Cb 0.04 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3kf6 h SER 24 CO -0.10 0.36 -0.85 0.44 -0.87 0.00 0.00 176.83 175.81 3kf6 h ASP 25 N 0.59 0.07 -0.78 4.97 3.32 -1.64 -3.08 116.42 119.88 3kf6 h ASP 25 Ca 0.18 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3kf6 h ASP 25 Cb 0.01 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 3kf6 h ASP 25 CO -0.04 0.88 0.45 0.58 -1.72 0.00 0.00 179.24 179.39 3kf6 h VAL 26 N 0.03 1.23 0.00 -1.35 2.07 -0.65 -0.56 116.25 117.01 3kf6 h VAL 26 Ca -0.02 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3kf6 h VAL 26 Cb 1.48 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3kf6 h VAL 26 CO 0.12 0.24 0.00 1.41 0.02 0.00 0.00 177.57 179.36 3kf6 n HIS 27 N -4.46 0.00 0.83 1.57 8.25 -0.82 -2.21 115.22 118.37 3kf6 n HIS 27 Ca 0.07 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.63 3kf6 n HIS 27 Cb 0.08 -0.27 0.02 0.00 1.12 0.00 0.00 29.99 30.93 3kf6 n HIS 27 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kf6 n LYS 28 N -1.27 1.56 -2.03 -0.41 5.02 -0.23 -4.96 118.16 115.84 3kf6 n LYS 28 Ca 0.07 -1.10 -0.41 0.00 -2.02 0.00 0.00 58.31 54.85 3kf6 n LYS 28 Cb 0.11 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 3kf6 n LYS 28 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kf6 s ILE 29 N -2.01 2.67 -0.05 -0.18 1.01 -0.94 -4.93 121.20 116.77 3kf6 s ILE 29 Ca 0.17 0.58 -0.13 0.00 0.00 0.00 0.00 60.65 61.27 3kf6 s ILE 29 Cb 0.15 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 3kf6 s ILE 29 CO 0.41 0.10 0.35 -0.94 0.00 0.00 0.00 174.94 174.86 3kf6 s SER 30 N 0.25 6.68 0.20 3.58 1.04 -0.35 -4.86 113.70 120.24 3kf6 s SER 30 Ca 0.58 0.81 0.09 0.00 0.48 0.00 0.00 55.95 57.91 3kf6 s SER 30 Cb -0.41 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 3kf6 s SER 30 CO 0.45 0.29 -0.18 -0.36 0.98 0.00 0.00 173.24 174.41 3kf6 s PHE 31 N -0.74 1.95 -0.42 5.02 0.40 -1.26 -0.78 117.98 122.15 3kf6 s PHE 31 Ca 0.21 -0.45 0.07 0.00 -0.60 0.00 0.00 56.93 56.17 3kf6 s PHE 31 Cb -0.15 -0.93 0.24 0.00 0.51 0.00 0.00 43.02 42.69 3kf6 s PHE 31 CO 0.10 0.44 0.53 0.72 0.70 0.00 0.00 175.22 177.71 3kf6 n HIS 32 N -0.06 0.01 0.00 0.36 8.25 -1.26 -5.00 115.22 117.51 3kf6 n HIS 32 Ca -0.10 -3.60 0.00 0.00 -0.26 0.00 0.00 57.72 53.76 3kf6 n HIS 32 Cb 0.58 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.38 3kf6 n HIS 32 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3kf6 n PRO 33 N 1.49 0.00 -1.88 -0.41 -0.01 -1.26 -5.04 135.00 127.89 3kf6 n PRO 33 Ca 0.23 0.00 -0.40 0.00 -0.01 0.00 0.00 63.50 63.31 3kf6 n PRO 33 Cb 0.51 0.00 -0.01 0.00 -0.01 0.00 0.00 33.50 33.99 3kf6 n PRO 33 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 175.50 176.21 3kf6 n HIS 34 N -1.12 2.65 0.00 6.00 8.25 -1.26 -5.11 115.22 124.63 3kf6 n HIS 34 Ca 0.00 -2.88 0.00 0.00 -0.26 0.00 0.00 57.72 54.58 3kf6 n HIS 34 Cb 0.00 -2.03 0.00 0.00 1.12 0.00 0.00 29.99 29.08 3kf6 n HIS 34 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3kf6 n TYR 38 N 2.65 0.00 -4.22 4.41 4.02 -1.26 -5.22 117.16 117.54 3kf6 n TYR 38 Ca 0.62 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 58.36 3kf6 n TYR 38 Cb 0.27 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.48 3kf6 n TYR 38 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 3kf6 s ILE 39 N -0.75 1.13 0.46 -0.72 -4.36 -1.26 -4.74 121.20 110.96 3kf6 s ILE 39 Ca 0.00 -1.84 0.02 0.00 -0.26 0.00 0.00 60.65 58.57 3kf6 s ILE 39 Cb 0.00 -1.61 -0.01 0.00 1.25 0.00 0.00 42.46 42.09 3kf6 s ILE 39 CO 0.00 -0.61 0.06 0.61 0.24 0.00 0.00 174.94 175.24 3kf6 n GLY 40 N 0.22 3.44 2.98 6.27 0.00 0.66 -4.75 105.19 114.02 3kf6 n GLY 40 Ca -0.13 -2.27 -0.22 0.00 0.00 0.00 0.00 46.02 43.40 3kf6 n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kf6 s PHE 41 N -2.92 1.15 -0.19 1.61 0.40 0.04 0.40 117.98 118.46 3kf6 s PHE 41 Ca 0.08 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 3kf6 s PHE 41 Cb 0.00 -0.87 0.04 0.00 0.51 0.00 0.00 43.02 42.71 3kf6 s PHE 41 CO 0.06 -0.21 -0.09 -0.46 0.70 0.00 0.00 175.22 175.22 3kf6 s TRP 42 N 0.63 2.27 -1.71 0.36 -0.00 0.55 -1.21 118.94 119.83 3kf6 s TRP 42 Ca -0.11 -1.49 0.00 0.00 -0.00 0.00 0.00 56.10 54.49 3kf6 s TRP 42 Cb -0.14 -1.57 0.00 0.00 -0.00 0.00 0.00 33.47 31.76 3kf6 s TRP 42 CO 0.02 -0.72 0.00 -1.33 -0.00 0.00 0.00 176.95 174.92 3kf6 n MET 43 N 4.72 -1.75 -0.09 5.86 2.81 -1.26 -0.85 117.12 126.56 3kf6 n MET 43 Ca -0.14 0.97 0.00 0.00 -1.81 0.00 0.00 57.70 56.72 3kf6 n MET 43 Cb 0.47 -5.61 0.00 0.00 -0.71 0.00 0.00 33.22 27.37 3kf6 n MET 43 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kf6 n GLY 44 N -0.96 1.45 3.79 3.03 0.00 -1.26 -4.84 105.19 106.40 3kf6 n GLY 44 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 3kf6 n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kf6 s PHE 45 N -2.63 3.68 0.03 1.61 2.99 -0.03 -5.02 117.98 118.61 3kf6 s PHE 45 Ca 0.00 1.05 -0.30 0.00 0.00 0.00 0.00 56.93 57.68 3kf6 s PHE 45 Cb 0.00 -2.45 -0.05 0.00 0.00 0.00 0.00 43.02 40.51 3kf6 s PHE 45 CO 0.00 0.46 1.30 -1.25 -0.00 0.00 0.00 175.22 175.73 3kf6 s PRO 46 N -0.49 4.35 -0.03 0.24 0.04 -1.26 -0.33 135.00 137.51 3kf6 s PRO 46 Ca 0.26 1.86 0.04 0.00 0.04 0.00 0.00 61.00 63.21 3kf6 s PRO 46 Cb -0.17 -3.45 -0.00 0.00 0.04 0.00 0.00 34.50 30.92 3kf6 s PRO 46 CO 0.14 -0.43 -0.15 0.42 0.04 0.00 0.00 177.00 177.02 3kf6 s ILE 47 N 1.76 1.26 0.12 0.56 -1.09 0.16 -4.93 121.20 119.04 3kf6 s ILE 47 Ca 0.61 -0.63 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 3kf6 s ILE 47 Cb -0.30 -1.08 0.00 0.00 -1.58 0.00 0.00 42.46 39.49 3kf6 s ILE 47 CO 0.27 0.37 0.00 -1.14 -1.23 0.00 0.00 174.94 173.21 3kf6 n ARG 48 N 3.11 0.00 -3.51 2.79 0.63 -1.26 -0.24 116.66 118.18 3kf6 n ARG 48 Ca -0.18 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.38 3kf6 n ARG 48 Cb 0.53 -0.08 -0.08 0.00 0.45 0.00 0.00 32.46 33.29 3kf6 n ARG 48 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3kf6 s TRP 49 N -2.00 3.40 0.09 -0.14 0.52 -1.26 -2.24 118.94 117.31 3kf6 s TRP 49 Ca 0.00 0.52 0.03 0.00 0.02 0.00 0.00 56.10 56.67 3kf6 s TRP 49 Cb 0.00 -2.39 -0.04 0.00 -1.15 0.00 0.00 33.47 29.89 3kf6 s TRP 49 CO 0.00 0.11 -0.09 0.42 0.02 0.00 0.00 176.95 177.41 3kf6 s ILE 50 N 0.89 0.86 -0.05 2.03 1.01 0.32 -3.52 121.20 122.74 3kf6 s ILE 50 Ca 0.15 -1.66 0.04 0.00 0.00 0.00 0.00 60.65 59.18 3kf6 s ILE 50 Cb -0.14 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.97 3kf6 s ILE 50 CO 0.05 -0.61 -0.16 -1.58 0.00 0.00 0.00 174.94 172.64 3kf6 s GLN 51 N -2.92 1.80 0.13 2.79 0.74 -0.65 -1.03 119.66 120.53 3kf6 s GLN 51 Ca 0.06 -0.56 0.06 0.00 0.05 0.00 0.00 55.36 54.96 3kf6 s GLN 51 Cb -0.02 -1.52 -0.04 0.00 1.10 0.00 0.00 33.01 32.53 3kf6 s GLN 51 CO -0.01 0.17 -0.13 0.96 -0.55 0.00 0.00 175.29 175.74 3kf6 s ILE 52 N 0.23 1.30 -0.03 -2.34 -5.25 -0.31 -1.49 121.20 113.32 3kf6 s ILE 52 Ca -0.08 -1.84 -0.00 0.00 -0.99 0.00 0.00 60.65 57.74 3kf6 s ILE 52 Cb -0.13 -1.64 0.03 0.00 2.95 0.00 0.00 42.46 43.67 3kf6 s ILE 52 CO 0.03 -0.53 0.03 -0.69 -1.79 0.00 0.00 174.94 171.99 3kf6 s VAL 53 N -2.54 -0.01 0.01 8.37 1.01 -1.26 -0.80 120.40 125.18 3kf6 s VAL 53 Ca 0.12 0.23 -0.28 0.00 0.00 0.00 0.00 61.98 62.05 3kf6 s VAL 53 Cb -0.02 -0.14 0.09 0.00 0.00 0.00 0.00 36.38 36.31 3kf6 s VAL 53 CO 0.03 0.12 1.25 -0.83 0.00 0.00 0.00 175.10 175.67 3kf6 s GLY 54 N 1.28 -0.08 0.24 4.51 0.00 -0.83 -4.53 107.32 107.91 3kf6 s GLY 54 Ca -0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 44.72 44.59 3kf6 s GLY 54 CO -0.03 5.49 0.46 -2.52 0.00 0.00 0.00 173.10 176.50 3kf6 s TYR 55 N -2.02 3.48 -0.27 1.90 1.13 -0.66 -0.88 117.35 120.03 3kf6 s TYR 55 Ca 0.29 0.44 -0.29 0.00 -1.41 0.00 0.00 57.07 56.10 3kf6 s TYR 55 Cb -0.01 -1.94 0.01 0.00 -1.10 0.00 0.00 41.96 38.93 3kf6 s TYR 55 CO 0.00 0.29 1.07 0.42 -2.51 0.00 0.00 175.55 174.82 3kf6 s ILE 56 N -1.98 4.58 -0.11 -3.49 1.01 0.52 -1.25 121.20 120.48 3kf6 s ILE 56 Ca 0.40 1.87 0.16 0.00 0.00 0.00 0.00 60.65 63.09 3kf6 s ILE 56 Cb -0.11 -4.34 -0.19 0.00 0.01 0.00 0.00 42.46 37.84 3kf6 s ILE 56 CO 0.30 -0.31 0.66 0.00 0.00 0.00 0.00 174.94 175.58 3kf6 n ALA 57 N 6.59 1.82 -3.47 9.38 0.00 0.93 -0.65 120.51 135.11 3kf6 n ALA 57 Ca 0.12 -0.71 -0.10 0.00 0.00 0.00 0.00 53.44 52.75 3kf6 n ALA 57 Cb 0.46 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 3kf6 n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kf6 s ALA 58 N -2.82 -1.73 -0.07 0.00 0.00 -1.17 -4.94 121.76 111.03 3kf6 s ALA 58 Ca -0.05 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3kf6 s ALA 58 Cb 0.08 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.80 3kf6 s ALA 58 CO 0.82 -0.70 -0.05 0.42 0.00 0.00 0.00 175.76 176.25 3kf6 s ILE 59 N -3.28 0.68 -0.04 0.00 1.01 -1.26 -1.10 121.20 117.22 3kf6 s ILE 59 Ca 0.03 -0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.57 3kf6 s ILE 59 Cb -0.01 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.73 3kf6 s ILE 59 CO -0.10 0.28 -0.18 -1.81 0.00 0.00 0.00 174.94 173.13 3kf6 s ASP 60 N 1.28 2.26 -0.16 3.58 1.01 -0.25 -5.00 116.67 119.38 3kf6 s ASP 60 Ca -0.05 -0.36 -0.06 0.00 0.71 0.00 0.00 52.55 52.79 3kf6 s ASP 60 Cb -0.14 -0.51 -0.04 0.00 1.01 0.00 0.00 42.92 43.25 3kf6 s ASP 60 CO -0.02 0.19 0.05 -0.63 0.21 0.00 0.00 175.17 174.96 3kf6 s ILE 61 N -0.14 4.66 0.47 0.77 1.09 -1.26 -0.89 121.20 125.91 3kf6 s ILE 61 Ca -0.00 -0.09 0.02 0.00 -1.10 0.00 0.00 60.65 59.49 3kf6 s ILE 61 Cb -0.10 -3.07 -0.01 0.00 -1.06 0.00 0.00 42.46 38.21 3kf6 s ILE 61 CO 0.01 0.49 0.07 -0.31 -0.10 0.00 0.00 174.94 175.10 3kf6 s TYR 62 N 0.13 1.80 -0.52 3.97 1.51 0.06 -5.01 117.35 119.30 3kf6 s TYR 62 Ca 0.04 -1.14 -0.28 0.00 -1.01 0.00 0.00 57.07 54.68 3kf6 s TYR 62 Cb -0.12 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.36 3kf6 s TYR 62 CO 0.01 -0.04 1.24 -2.00 -1.11 0.00 0.00 175.55 173.65 3kf6 s GLU 63 N -3.79 3.55 0.00 -0.62 2.12 -1.26 -3.23 118.70 115.48 3kf6 s GLU 63 Ca 0.13 0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.94 3kf6 s GLU 63 Cb 0.01 -4.00 0.00 0.00 0.26 0.00 0.00 34.13 30.40 3kf6 s GLU 63 CO 0.08 -1.61 0.00 0.41 -0.54 0.00 0.00 175.26 173.60 3kf6 n GLY 64 N 5.03 0.69 3.56 -1.50 0.00 -1.26 -5.02 105.19 106.68 3kf6 n GLY 64 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 3kf6 n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kf6 s LYS 65 N -0.24 0.93 -0.06 1.61 -2.85 -1.20 -2.00 119.74 115.92 3kf6 s LYS 65 Ca 0.00 0.42 0.03 0.00 -1.00 0.00 0.00 55.97 55.41 3kf6 s LYS 65 Cb 0.00 0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 36.19 3kf6 s LYS 65 CO 0.00 -0.25 -0.13 -1.01 0.10 0.00 0.00 175.35 174.06 3kf6 s HIS 66 N -0.79 2.76 -0.13 1.78 3.76 -0.66 -0.76 115.29 121.25 3kf6 s HIS 66 Ca -0.07 -0.17 0.02 0.00 -0.15 0.00 0.00 55.06 54.68 3kf6 s HIS 66 Cb -0.01 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 32.02 3kf6 s HIS 66 CO 0.06 0.17 -0.17 0.08 -0.85 0.00 0.00 174.74 174.03 3kf6 s VAL 67 N -0.62 1.72 -0.21 -0.90 1.01 -0.07 -0.60 120.40 120.73 3kf6 s VAL 67 Ca 0.09 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 3kf6 s VAL 67 Cb -0.11 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3kf6 s VAL 67 CO 0.01 0.48 0.05 -0.76 0.00 0.00 0.00 175.10 174.88 3kf6 s LEU 68 N 1.08 3.55 -0.21 3.92 1.43 -0.04 -1.09 118.68 127.33 3kf6 s LEU 68 Ca -0.03 -0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 52.81 3kf6 s LEU 68 Cb -0.14 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 3kf6 s LEU 68 CO -0.05 0.08 0.50 -0.89 0.23 0.00 0.00 176.35 176.23 3kf6 s THR 69 N 0.90 5.11 -0.04 5.49 2.01 -0.26 -0.23 115.64 128.62 3kf6 s THR 69 Ca 0.03 0.92 0.04 0.00 0.31 0.00 0.00 61.69 62.99 3kf6 s THR 69 Cb -0.14 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 3kf6 s THR 69 CO 0.02 0.18 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.28 3kf6 s VAL 70 N 1.65 2.91 -0.14 3.82 1.01 -0.19 -0.05 120.40 129.41 3kf6 s VAL 70 Ca 0.23 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3kf6 s VAL 70 Cb -0.15 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.11 3kf6 s VAL 70 CO 0.09 0.59 -0.20 -0.62 0.00 0.00 0.00 175.10 174.96 3kf6 s ASP 71 N -0.73 2.95 -0.09 3.32 2.15 -0.38 -1.18 116.67 122.71 3kf6 s ASP 71 Ca 0.11 -0.57 0.14 0.00 0.43 0.00 0.00 52.55 52.66 3kf6 s ASP 71 Cb -0.10 -1.36 0.42 0.00 -0.30 0.00 0.00 42.92 41.58 3kf6 s ASP 71 CO 0.00 0.04 1.34 -0.90 -0.17 0.00 0.00 175.17 175.49 3kf6 n ASP 72 N 4.26 3.43 -0.65 -0.34 5.75 -1.26 -1.66 116.55 126.07 3kf6 n ASP 72 Ca -0.20 -2.54 -0.09 0.00 -0.01 0.00 0.00 54.79 51.96 3kf6 n ASP 72 Cb 0.51 -0.40 -0.04 0.00 -1.03 0.00 0.00 41.12 40.17 3kf6 n ASP 72 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kf6 n SER 74 N -0.42 0.59 0.00 0.00 3.41 -1.26 -4.87 113.62 111.06 3kf6 n SER 74 Ca -0.09 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 3kf6 n SER 74 Cb 0.41 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3kf6 n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kf6 n GLY 75 N 1.02 0.87 3.11 5.00 0.00 -1.26 -4.55 105.19 109.37 3kf6 n GLY 75 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 3kf6 n GLY 75 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kf6 s MET 76 N -0.54 0.54 0.32 1.61 -1.94 -1.26 -5.02 119.30 113.02 3kf6 s MET 76 Ca 0.00 -0.65 0.08 0.00 -1.71 0.00 0.00 55.69 53.41 3kf6 s MET 76 Cb 0.00 0.22 -0.04 0.00 2.01 0.00 0.00 34.83 37.02 3kf6 s MET 76 CO 0.00 -0.13 0.19 0.14 -0.01 0.00 0.00 175.02 175.21 3kf6 s VAL 77 N -2.20 3.44 -0.04 -6.03 -7.23 -1.26 -4.45 120.40 102.62 3kf6 s VAL 77 Ca -0.08 -1.56 0.03 0.00 -1.81 0.00 0.00 61.98 58.55 3kf6 s VAL 77 Cb -0.03 -3.10 0.01 0.00 0.56 0.00 0.00 36.38 33.81 3kf6 s VAL 77 CO -0.03 -0.22 -0.11 -0.22 -0.31 0.00 0.00 175.10 174.22 3kf6 s LEU 78 N -3.88 1.74 -0.16 1.32 2.96 -0.32 -4.95 118.68 115.39 3kf6 s LEU 78 Ca 0.38 -0.23 -0.26 0.00 -0.22 0.00 0.00 54.13 53.80 3kf6 s LEU 78 Cb -0.05 -0.66 -0.01 0.00 0.50 0.00 0.00 46.19 45.97 3kf6 s LEU 78 CO 0.24 0.06 0.86 -0.13 -1.32 0.00 0.00 176.35 176.07 3kf6 s ARG 79 N 0.31 4.32 -0.26 1.98 0.52 -1.26 -1.02 118.95 123.53 3kf6 s ARG 79 Ca -0.06 1.08 -0.06 0.00 -0.52 0.00 0.00 55.73 56.18 3kf6 s ARG 79 Cb -0.11 -3.57 -0.00 0.00 0.52 0.00 0.00 34.95 31.79 3kf6 s ARG 79 CO 0.01 -0.32 0.03 0.08 0.02 0.00 0.00 175.30 175.12 3kf6 s VAL 80 N 2.12 3.76 -0.18 3.52 1.01 0.68 -1.39 120.40 129.93 3kf6 s VAL 80 Ca 0.40 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 3kf6 s VAL 80 Cb -0.17 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 3kf6 s VAL 80 CO 0.13 0.22 0.27 -0.69 0.00 0.00 0.00 175.10 175.04 3kf6 s VAL 81 N 1.50 5.31 -0.38 2.92 1.01 0.14 -0.86 120.40 130.04 3kf6 s VAL 81 Ca 0.04 0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 3kf6 s VAL 81 Cb -0.16 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 32.70 3kf6 s VAL 81 CO 0.00 0.38 0.15 -0.36 0.00 0.00 0.00 175.10 175.27 3kf6 s PHE 82 N 0.60 3.48 -0.58 5.22 0.40 0.23 -0.95 117.98 126.39 3kf6 s PHE 82 Ca 0.15 -2.18 -0.28 0.00 -0.60 0.00 0.00 56.93 54.02 3kf6 s PHE 82 Cb -0.13 -2.90 0.01 0.00 0.51 0.00 0.00 43.02 40.51 3kf6 s PHE 82 CO 0.04 -0.91 1.46 0.42 0.70 0.00 0.00 175.22 176.92 3kf6 s ILE 83 N 1.20 3.72 0.18 0.64 1.01 -1.26 -1.65 121.20 125.03 3kf6 s ILE 83 Ca 0.04 0.59 -0.27 0.00 0.00 0.00 0.00 60.65 61.01 3kf6 s ILE 83 Cb -0.22 -4.41 0.01 0.00 0.01 0.00 0.00 42.46 37.85 3kf6 s ILE 83 CO -0.03 -1.20 1.54 0.40 0.00 0.00 0.00 174.94 175.66 3kf6 h ILE 84 N 6.41 0.00 0.00 2.92 2.04 -1.72 -1.00 117.51 126.16 3kf6 h ILE 84 Ca -0.27 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3kf6 h ILE 84 Cb 1.10 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3kf6 h ILE 84 CO 1.19 0.00 -0.05 0.06 0.00 0.00 0.00 178.15 179.35 3kf6 h GLN 85 N -0.02 0.00 -0.01 2.37 3.07 -1.91 -1.86 115.11 116.74 3kf6 h GLN 85 Ca 0.21 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.83 3kf6 h GLN 85 Cb 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.02 3kf6 h GLN 85 CO -0.93 0.05 -0.54 -0.44 0.09 0.00 0.00 178.83 177.06 3kf6 h ASP 86 N 0.00 0.03 -0.86 0.06 5.19 -1.56 -3.40 116.42 115.88 3kf6 h ASP 86 Ca -0.00 -0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.31 3kf6 h ASP 86 Cb 0.18 -0.01 -0.17 0.00 0.18 0.00 0.00 39.33 39.52 3kf6 h ASP 86 CO 0.01 0.56 -0.41 -0.62 -3.12 0.00 0.00 179.24 175.66 3kf6 s ASP 87 N -6.88 -1.28 0.25 6.45 -1.08 -0.91 -5.03 116.67 108.20 3kf6 s ASP 87 Ca -0.02 -1.20 -0.03 0.00 -0.52 0.00 0.00 52.55 50.79 3kf6 s ASP 87 Cb 0.13 1.66 0.47 0.00 -1.46 0.00 0.00 42.92 43.72 3kf6 s ASP 87 CO 0.76 -0.08 1.78 0.15 0.52 0.00 0.00 175.17 178.29 3kf6 h PHE 88 N 5.54 0.78 0.61 -5.34 3.57 -1.59 -1.13 116.94 119.39 3kf6 h PHE 88 Ca 0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 3kf6 h PHE 88 Cb 1.15 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 3kf6 h PHE 88 CO 0.08 0.24 -0.45 1.03 -2.23 0.00 0.00 178.31 176.99 3kf6 h SER 89 N 0.67 -1.16 -0.92 0.41 0.87 -1.96 -0.74 113.55 110.72 3kf6 h SER 89 Ca 0.43 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 61.08 3kf6 h SER 89 Cb 0.53 0.36 -0.05 0.00 -0.44 0.00 0.00 62.40 62.80 3kf6 h SER 89 CO -0.32 -0.65 0.61 -0.03 -0.53 0.00 0.00 176.83 175.91 3kf6 h MET 90 N -1.02 1.22 -0.74 2.24 1.85 -1.89 -2.02 114.93 114.56 3kf6 h MET 90 Ca -0.07 -0.08 -0.03 0.00 -0.61 0.00 0.00 59.70 58.91 3kf6 h MET 90 Cb 0.85 -0.27 -0.03 0.00 0.43 0.00 0.00 31.60 32.57 3kf6 h MET 90 CO 0.03 0.81 0.36 0.77 -0.40 0.00 0.00 176.91 178.48 3kf6 h SER 91 N 1.26 0.96 -0.38 1.39 0.02 -1.03 -0.47 113.55 115.29 3kf6 h SER 91 Ca 0.34 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 3kf6 h SER 91 Cb -0.14 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.14 3kf6 h SER 91 CO -0.07 0.81 0.04 0.50 -1.14 0.00 0.00 176.83 176.97 3kf6 h LYS 92 N 1.05 0.65 -0.38 3.45 3.64 -0.46 -2.50 116.57 122.03 3kf6 h LYS 92 Ca 0.26 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3kf6 h LYS 92 Cb 0.10 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3kf6 h LYS 92 CO -0.03 0.72 0.13 0.00 -2.27 0.00 0.00 179.45 177.99 3kf6 h ARG 93 N 0.49 0.54 -0.14 1.90 3.08 -0.95 -2.63 114.38 116.67 3kf6 h ARG 93 Ca 0.11 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3kf6 h ARG 93 Cb 0.40 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3kf6 h ARG 93 CO 0.01 0.47 0.08 0.00 -1.07 0.00 0.00 179.97 179.46 3kf6 h ALA 94 N 1.61 0.18 -0.02 0.04 0.00 -0.67 -2.40 119.26 118.00 3kf6 h ALA 94 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kf6 h ALA 94 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kf6 h ALA 94 CO -0.01 -0.30 0.00 0.44 0.00 0.00 0.00 179.25 179.38 3kf6 n ILE 95 N -4.95 0.02 1.03 0.00 -5.35 -1.04 -2.43 119.36 106.65 3kf6 n ILE 95 Ca -0.05 -0.06 0.12 0.00 -0.27 0.00 0.00 62.75 62.50 3kf6 n ILE 95 Cb 0.06 -0.22 0.32 0.00 -1.74 0.00 0.00 39.64 38.06 3kf6 n ILE 95 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3kf6 n SER 96 N -0.65 0.47 -4.81 7.28 3.41 -0.91 -4.89 113.62 113.51 3kf6 n SER 96 Ca 0.18 -0.20 -0.30 0.00 -0.26 0.00 0.00 58.87 58.28 3kf6 n SER 96 Cb 0.13 0.13 0.07 0.00 -0.26 0.00 0.00 64.21 64.29 3kf6 n SER 96 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3kf6 s MET 97 N -2.95 2.49 0.11 4.33 -1.94 -1.02 -5.09 119.30 115.24 3kf6 s MET 97 Ca 0.13 0.77 0.07 0.00 -1.71 0.00 0.00 55.69 54.94 3kf6 s MET 97 Cb 0.18 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 35.03 3kf6 s MET 97 CO 0.66 -1.37 -0.17 -1.12 -0.01 0.00 0.00 175.02 173.01 3kf6 s SER 98 N -3.88 2.22 0.28 3.03 0.01 -1.26 -5.08 113.70 109.02 3kf6 s SER 98 Ca 0.59 -0.73 -0.30 0.00 1.31 0.00 0.00 55.95 56.82 3kf6 s SER 98 Cb -0.14 -0.10 -0.12 0.00 0.21 0.00 0.00 66.02 65.86 3kf6 s SER 98 CO 0.54 -0.04 1.45 -2.65 0.41 0.00 0.00 173.24 172.95 3kf6 n PRO 99 N 0.85 2.30 0.00 12.44 -0.02 -1.26 -1.45 135.00 147.85 3kf6 n PRO 99 Ca -0.18 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3kf6 n PRO 99 Cb 0.55 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3kf6 n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kf6 n GLY 100 N 1.82 2.75 3.77 -1.23 0.00 0.17 -4.94 105.19 107.53 3kf6 n GLY 100 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3kf6 n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kf6 s ASN 101 N -0.60 6.01 -0.17 1.61 0.01 -0.53 -4.58 114.94 116.69 3kf6 s ASN 101 Ca 0.00 2.43 -0.09 0.00 -0.71 0.00 0.00 52.86 54.49 3kf6 s ASN 101 Cb 0.00 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.00 3kf6 s ASN 101 CO 0.00 -1.03 0.13 -0.69 -1.51 0.00 0.00 177.10 173.99 3kf6 s VAL 102 N -1.47 5.38 0.09 1.60 1.01 -1.26 -0.35 120.40 125.41 3kf6 s VAL 102 Ca 0.64 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.86 3kf6 s VAL 102 Cb -0.32 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3kf6 s VAL 102 CO 0.39 0.49 -0.15 0.68 0.00 0.00 0.00 175.10 176.51 3kf6 s VAL 103 N -0.05 1.29 -0.24 2.92 -7.23 -0.06 -0.33 120.40 116.70 3kf6 s VAL 103 Ca 0.10 -1.49 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 3kf6 s VAL 103 Cb -0.11 -1.32 0.02 0.00 0.56 0.00 0.00 36.38 35.53 3kf6 s VAL 103 CO -0.00 -0.26 -0.05 0.00 -0.31 0.00 0.00 175.10 174.48 3kf6 s VAL 105 N 1.37 2.54 -0.12 0.00 1.01 0.02 -1.55 120.40 123.65 3kf6 s VAL 105 Ca 0.02 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 3kf6 s VAL 105 Cb -0.16 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3kf6 s VAL 105 CO -0.04 0.56 -0.13 0.12 0.00 0.00 0.00 175.10 175.61 3kf6 s PHE 106 N -0.06 2.82 0.06 5.22 5.36 0.01 -1.16 117.98 130.22 3kf6 s PHE 106 Ca -0.05 -0.58 -0.08 0.00 -0.96 0.00 0.00 56.93 55.26 3kf6 s PHE 106 Cb -0.14 -1.83 0.03 0.00 -0.34 0.00 0.00 43.02 40.73 3kf6 s PHE 106 CO 0.04 -0.17 0.36 0.41 -1.46 0.00 0.00 175.22 174.41 3kf6 n GLY 107 N 3.42 1.01 3.59 13.12 0.00 -0.20 -0.43 105.19 125.71 3kf6 n GLY 107 Ca -0.18 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 3kf6 n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kf6 s LYS 108 N -2.02 2.39 0.36 1.61 -2.85 -0.75 -0.53 119.74 117.95 3kf6 s LYS 108 Ca 0.08 -0.85 -0.26 0.00 -1.00 0.00 0.00 55.97 53.94 3kf6 s LYS 108 Cb -0.01 -2.43 -0.09 0.00 -2.06 0.00 0.00 37.83 33.24 3kf6 s LYS 108 CO 0.02 0.56 1.07 0.96 0.10 0.00 0.00 175.35 178.06 3kf6 s ILE 109 N -1.11 3.62 -0.11 3.79 -4.36 -0.95 -1.06 121.20 121.02 3kf6 s ILE 109 Ca 0.20 1.37 0.00 0.00 -0.26 0.00 0.00 60.65 61.96 3kf6 s ILE 109 Cb -0.11 -3.77 0.02 0.00 1.25 0.00 0.00 42.46 39.85 3kf6 s ILE 109 CO 0.11 0.13 -0.11 0.21 0.24 0.00 0.00 174.94 175.52 3kf6 s ASN 110 N -1.32 2.28 -0.29 4.36 2.47 -0.19 -4.89 114.94 117.36 3kf6 s ASN 110 Ca 0.53 -0.36 0.08 0.00 0.42 0.00 0.00 52.86 53.53 3kf6 s ASN 110 Cb -0.26 -0.96 0.47 0.00 -1.45 0.00 0.00 41.25 39.05 3kf6 s ASN 110 CO 0.33 -0.06 1.37 -1.54 -3.72 0.00 0.00 177.10 173.47 3kf6 n SER 111 N 4.64 3.07 -0.18 -4.21 3.41 -1.26 -1.80 113.62 117.28 3kf6 n SER 111 Ca -0.16 -3.82 -0.07 0.00 -0.26 0.00 0.00 58.87 54.55 3kf6 n SER 111 Cb 0.50 -0.56 0.02 0.00 -0.26 0.00 0.00 64.21 63.91 3kf6 n SER 111 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3kf6 h PHE 112 N 1.31 0.71 -1.62 7.33 3.04 -1.96 -3.44 116.94 122.31 3kf6 h PHE 112 Ca 0.21 -0.02 -0.42 0.00 3.98 0.00 0.00 57.97 61.72 3kf6 h PHE 112 Cb 1.39 -0.23 0.02 0.00 2.56 0.00 0.00 35.95 39.70 3kf6 h PHE 112 CO 0.95 0.52 -0.24 1.03 -2.02 0.00 0.00 178.31 178.55 3kf6 s ARG 113 N -5.85 2.83 0.57 1.11 1.81 -1.26 -4.99 118.95 113.17 3kf6 s ARG 113 Ca -0.13 -1.15 0.26 0.00 -1.72 0.00 0.00 55.73 52.99 3kf6 s ARG 113 Cb 0.12 -2.73 1.66 0.00 -0.45 0.00 0.00 34.95 33.55 3kf6 s ARG 113 CO 0.76 -0.29 2.20 0.66 -0.68 0.00 0.00 175.30 177.95 3kf6 h SER 114 N 0.59 0.00 -3.78 0.23 4.64 -1.98 -3.38 113.55 109.87 3kf6 h SER 114 Ca -0.41 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.27 3kf6 h SER 114 Cb 1.28 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.19 3kf6 h SER 114 CO 0.47 0.00 -0.55 -0.70 -0.87 0.00 0.00 176.83 175.18 3kf6 s GLU 115 N -4.74 3.89 0.60 4.77 2.12 -1.26 -5.07 118.70 119.01 3kf6 s GLU 115 Ca -0.05 -0.36 -0.18 0.00 0.36 0.00 0.00 54.97 54.75 3kf6 s GLU 115 Cb 0.16 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 3kf6 s GLU 115 CO 0.58 -0.14 1.16 0.54 -0.54 0.00 0.00 175.26 176.86 3kf6 s VAL 116 N 1.59 2.91 0.15 3.70 0.11 -1.26 -4.83 120.40 122.77 3kf6 s VAL 116 Ca 0.07 0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 59.63 3kf6 s VAL 116 Cb -0.15 -3.14 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 3kf6 s VAL 116 CO 0.08 -0.17 0.08 -1.83 -3.33 0.00 0.00 175.10 169.93 3kf6 s GLU 117 N -3.54 1.01 -0.18 1.54 -1.05 -0.75 -4.66 118.70 111.08 3kf6 s GLU 117 Ca 0.73 -1.50 -0.01 0.00 -0.15 0.00 0.00 54.97 54.04 3kf6 s GLU 117 Cb -0.26 0.25 -0.00 0.00 -0.44 0.00 0.00 34.13 33.68 3kf6 s GLU 117 CO 0.34 -0.30 -0.12 -1.17 0.95 0.00 0.00 175.26 174.96 3kf6 s LEU 118 N -3.08 2.58 -0.41 1.83 2.96 -0.49 -1.03 118.68 121.05 3kf6 s LEU 118 Ca 0.29 -0.46 -0.21 0.00 -0.22 0.00 0.00 54.13 53.53 3kf6 s LEU 118 Cb 0.07 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 45.17 3kf6 s LEU 118 CO 0.05 0.04 0.65 -0.63 -1.32 0.00 0.00 176.35 175.14 3kf6 s ILE 119 N 1.07 4.84 0.25 6.68 -1.09 -0.22 0.29 121.20 133.02 3kf6 s ILE 119 Ca -0.00 0.32 -0.30 0.00 -2.23 0.00 0.00 60.65 58.44 3kf6 s ILE 119 Cb -0.15 -4.16 -0.10 0.00 -1.58 0.00 0.00 42.46 36.48 3kf6 s ILE 119 CO -0.03 -0.49 1.33 0.00 -1.23 0.00 0.00 174.94 174.52 3kf6 s ALA 120 N 2.81 3.54 -0.13 9.38 0.00 -0.12 -1.81 121.76 135.42 3kf6 s ALA 120 Ca 0.24 1.20 0.09 0.00 0.00 0.00 0.00 51.96 53.49 3kf6 s ALA 120 Cb -0.14 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.35 3kf6 s ALA 120 CO 0.18 -0.60 0.01 0.94 0.00 0.00 0.00 175.76 176.29 3kf6 n GLN 121 N 1.94 1.70 -3.51 0.00 7.27 0.43 -4.82 117.38 120.38 3kf6 n GLN 121 Ca 0.04 0.01 -0.11 0.00 0.07 0.00 0.00 57.00 57.02 3kf6 n GLN 121 Cb 0.42 -1.32 -0.03 0.00 2.41 0.00 0.00 30.24 31.72 3kf6 n GLN 121 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3kf6 s SER 122 N -4.70 -0.43 0.17 1.69 1.04 -1.00 -5.03 113.70 105.44 3kf6 s SER 122 Ca -0.09 0.20 -0.19 0.00 0.48 0.00 0.00 55.95 56.35 3kf6 s SER 122 Cb 0.04 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.61 3kf6 s SER 122 CO 0.48 -0.59 0.53 0.72 0.98 0.00 0.00 173.24 175.36 3kf6 s PHE 123 N -2.42 -0.29 -0.04 5.02 -0.71 -1.26 -0.81 117.98 117.46 3kf6 s PHE 123 Ca 0.01 -0.00 -0.06 0.00 -1.04 0.00 0.00 56.93 55.83 3kf6 s PHE 123 Cb -0.01 0.44 0.01 0.00 -1.21 0.00 0.00 43.02 42.25 3kf6 s PHE 123 CO -0.04 -0.86 0.15 -1.83 -1.34 0.00 0.00 175.22 171.30 3kf6 s GLU 124 N -3.82 0.27 0.15 1.99 -1.05 -0.60 -4.99 118.70 110.66 3kf6 s GLU 124 Ca 0.05 0.04 -0.29 0.00 -0.15 0.00 0.00 54.97 54.62 3kf6 s GLU 124 Cb -0.01 0.12 -0.07 0.00 -0.44 0.00 0.00 34.13 33.74 3kf6 s GLU 124 CO -0.08 -0.05 0.90 -2.00 0.95 0.00 0.00 175.26 174.99 3kf6 s GLU 125 N -0.34 4.71 -0.36 -4.83 2.12 -1.26 -1.17 118.70 117.56 3kf6 s GLU 125 Ca -0.04 1.38 -0.11 0.00 0.36 0.00 0.00 54.97 56.55 3kf6 s GLU 125 Cb -0.03 -3.33 0.02 0.00 0.26 0.00 0.00 34.13 31.05 3kf6 s GLU 125 CO 0.01 0.37 0.20 -0.51 -0.54 0.00 0.00 175.26 174.78 3kf6 s LEU 126 N -0.56 4.55 0.00 2.70 1.43 0.55 -4.92 118.68 122.42 3kf6 s LEU 126 Ca 0.42 -0.83 0.15 0.00 -1.03 0.00 0.00 54.13 52.85 3kf6 s LEU 126 Cb -0.24 -2.03 0.10 0.00 0.03 0.00 0.00 46.19 44.06 3kf6 s LEU 126 CO 0.29 -0.33 0.96 0.54 0.23 0.00 0.00 176.35 178.05 3kf6 n ARG 127 N 5.00 1.27 -3.23 1.70 1.74 -1.26 -4.30 116.66 117.58 3kf6 n ARG 127 Ca -0.12 -1.32 -0.41 0.00 -0.77 0.00 0.00 57.85 55.23 3kf6 n ARG 127 Cb 0.47 -1.29 -0.08 0.00 -1.02 0.00 0.00 32.46 30.55 3kf6 n ARG 127 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3kf6 s ASP 128 N -1.38 6.38 0.66 0.55 -1.08 -1.26 -4.94 116.67 115.60 3kf6 s ASP 128 Ca 0.17 0.28 0.31 0.00 -0.52 0.00 0.00 52.55 52.80 3kf6 s ASP 128 Cb 0.13 -2.28 1.71 0.00 -1.46 0.00 0.00 42.92 41.02 3kf6 s ASP 128 CO 0.23 -0.38 1.97 -0.65 0.52 0.00 0.00 175.17 176.85 3kf6 h PRO 129 N 8.22 0.00 0.00 4.34 0.11 -2.05 -0.35 132.00 142.27 3kf6 h PRO 129 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3kf6 h PRO 129 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kf6 h PRO 129 CO 0.74 0.00 -0.32 -0.91 -0.21 0.00 0.00 178.00 177.30 3kf6 h ASN 130 N 0.00 0.00 -0.49 -2.05 2.35 -1.99 -3.34 115.58 110.06 3kf6 h ASN 130 Ca 0.01 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3kf6 h ASN 130 Cb 0.61 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.95 3kf6 h ASN 130 CO -0.00 0.03 0.27 0.44 -1.65 0.00 0.00 177.43 176.52 3kf6 h ASP 131 N 0.00 0.64 -0.14 5.81 3.32 -1.46 -2.93 116.42 121.66 3kf6 h ASP 131 Ca 0.00 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3kf6 h ASP 131 Cb 0.84 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 3kf6 h ASP 131 CO 0.00 0.53 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.68 3kf6 h GLU 132 N 0.72 0.26 0.00 3.56 5.08 -1.74 -1.78 114.58 120.69 3kf6 h GLU 132 Ca 0.18 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3kf6 h GLU 132 Cb 0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3kf6 h GLU 132 CO -0.03 0.56 -0.30 0.11 -1.00 0.00 0.00 179.01 178.35 3kf6 h TRP 133 N -0.05 0.00 -0.39 4.33 5.08 -1.77 -0.91 115.95 122.24 3kf6 h TRP 133 Ca 0.03 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.92 3kf6 h TRP 133 Cb 0.47 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.61 3kf6 h TRP 133 CO 0.05 0.30 -0.12 0.87 -1.28 0.00 0.00 178.44 178.27 3kf6 h LYS 134 N 0.00 0.69 -0.42 0.12 1.57 -1.42 0.44 116.57 117.55 3kf6 h LYS 134 Ca -0.00 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 3kf6 h LYS 134 Cb 0.55 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3kf6 h LYS 134 CO 0.04 0.79 -0.18 0.00 -0.57 0.00 0.00 179.45 179.53 3kf6 h ALA 135 N 1.24 0.90 -0.47 3.86 0.00 -0.37 -1.16 119.26 123.26 3kf6 h ALA 135 Ca 0.11 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3kf6 h ALA 135 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kf6 h ALA 135 CO 0.04 0.63 -0.14 -1.49 0.00 0.00 0.00 179.25 178.28 3kf6 h TRP 136 N 0.71 1.04 -0.08 0.00 6.55 -0.73 -2.18 115.95 121.26 3kf6 h TRP 136 Ca 0.11 -0.23 0.01 0.00 0.95 0.00 0.00 58.89 59.73 3kf6 h TRP 136 Cb 0.68 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.72 3kf6 h TRP 136 CO 0.04 1.01 -0.01 0.37 -1.05 0.00 0.00 178.44 178.80 3kf6 h GLN 137 N 0.76 0.02 -0.77 0.49 4.15 -0.63 -1.40 115.11 117.73 3kf6 h GLN 137 Ca 0.12 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.59 3kf6 h GLN 137 Cb 0.69 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.33 3kf6 h GLN 137 CO 0.05 0.01 0.46 -0.22 -1.93 0.00 0.00 178.83 177.21 3kf6 h LYS 138 N 0.02 0.84 -0.36 1.69 3.64 -1.15 -2.00 116.57 119.25 3kf6 h LYS 138 Ca 0.04 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 3kf6 h LYS 138 Cb 0.05 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3kf6 h LYS 138 CO -0.07 0.56 -0.31 0.00 -2.27 0.00 0.00 179.45 177.37 3kf6 h ARG 139 N 0.87 0.77 -0.31 1.90 3.08 -1.05 -1.04 114.38 118.59 3kf6 h ARG 139 Ca 0.33 -0.35 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 3kf6 h ARG 139 Cb 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3kf6 h ARG 139 CO -0.16 0.98 -0.38 0.52 -1.07 0.00 0.00 179.97 179.86 3kf6 h MET 140 N 0.66 0.73 -0.33 0.04 2.86 -1.00 -1.24 114.93 116.65 3kf6 h MET 140 Ca 0.07 -0.37 -0.08 0.00 -2.06 0.00 0.00 59.70 57.27 3kf6 h MET 140 Cb 0.84 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 3kf6 h MET 140 CO 0.07 0.99 -0.09 -0.09 1.06 0.00 0.00 176.91 178.85 3kf6 h ARG 141 N 0.60 0.64 -0.27 1.72 2.43 -1.29 -1.61 114.38 116.60 3kf6 h ARG 141 Ca 0.05 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 3kf6 h ARG 141 Cb 0.92 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 3kf6 h ARG 141 CO 0.08 0.82 0.14 -0.92 -1.51 0.00 0.00 179.97 178.59 3kf6 h TYR 142 N 0.42 0.39 -0.85 2.20 5.03 -1.11 -1.74 116.97 121.32 3kf6 h TYR 142 Ca 0.08 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.34 3kf6 h TYR 142 Cb 0.60 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.72 3kf6 h TYR 142 CO 0.05 0.34 0.41 -0.22 -1.32 0.00 0.00 178.16 177.42 3kf6 h LYS 143 N 0.32 1.22 -0.53 1.82 3.64 -1.18 -1.24 116.57 120.62 3kf6 h LYS 143 Ca 0.09 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 3kf6 h LYS 143 Cb 0.09 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3kf6 h LYS 143 CO -0.01 0.94 0.15 0.87 -2.27 0.00 0.00 179.45 179.12 3kf6 h LYS 144 N 1.21 0.83 -0.34 1.90 1.57 -1.06 -1.20 116.57 119.47 3kf6 h LYS 144 Ca 0.29 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3kf6 h LYS 144 Cb 0.12 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3kf6 h LYS 144 CO -0.04 0.77 0.02 -0.91 -0.57 0.00 0.00 179.45 178.72 3kf6 h ASN 145 N 0.73 0.57 -0.42 0.86 2.35 -1.05 -2.17 115.58 116.45 3kf6 h ASN 145 Ca 0.17 -0.29 -0.05 0.00 -0.55 0.00 0.00 56.30 55.57 3kf6 h ASN 145 Cb 0.30 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3kf6 h ASN 145 CO -0.00 0.73 0.10 -0.07 -1.65 0.00 0.00 177.43 176.54 3kf6 h LEU 146 N 0.40 0.69 -0.59 1.61 3.38 -1.14 -1.78 115.31 117.88 3kf6 h LEU 146 Ca 0.10 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3kf6 h LEU 146 Cb 0.42 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3kf6 h LEU 146 CO 0.01 0.69 0.25 0.74 0.09 0.00 0.00 178.44 180.23 3kf6 h THR 147 N 0.72 1.22 -0.35 0.22 2.02 -1.03 -0.21 112.91 115.50 3kf6 h THR 147 Ca 0.16 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 3kf6 h THR 147 Cb 0.29 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3kf6 h THR 147 CO 0.00 0.27 0.10 0.11 0.37 0.00 0.00 175.52 176.37 3kf6 h LYS 148 N 0.82 0.56 -0.37 6.66 1.57 -1.04 -1.28 116.57 123.48 3kf6 h LYS 148 Ca 0.20 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3kf6 h LYS 148 Cb 0.18 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3kf6 h LYS 148 CO -0.02 0.59 0.23 0.82 -0.57 0.00 0.00 179.45 180.50 3kf6 h ILE 149 N 0.42 1.12 -0.78 1.86 2.04 -1.14 -1.04 117.51 119.98 3kf6 h ILE 149 Ca 0.11 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3kf6 h ILE 149 Cb 0.27 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3kf6 h ILE 149 CO -0.00 0.11 0.51 -1.28 0.00 0.00 0.00 178.15 177.49 3kf6 h SER 150 N 0.49 0.91 0.62 1.72 0.87 -0.88 -1.22 113.55 116.06 3kf6 h SER 150 Ca 0.13 -0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.53 3kf6 h SER 150 Cb -0.01 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 3kf6 h SER 150 CO -0.03 0.67 -0.62 0.11 -0.53 0.00 0.00 176.83 176.43 3kf6 h LYS 151 N 1.07 0.00 0.00 2.24 1.57 -0.75 -1.27 116.57 119.43 3kf6 h LYS 151 Ca 0.29 -0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.87 3kf6 h LYS 151 Cb -0.11 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3kf6 h LYS 151 CO -0.06 0.63 -0.93 -0.91 -0.57 0.00 0.00 179.45 177.60 3kf6 h ASN 152 N 0.00 0.00 0.94 0.86 2.35 -0.58 -3.29 115.58 115.86 3kf6 h ASN 152 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3kf6 h ASN 152 Cb 1.11 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.47 3kf6 h ASN 152 CO 0.08 0.93 -1.08 1.57 -1.65 0.00 0.00 177.43 177.29 3kf6 n HIS 153 N -3.34 0.95 0.54 1.19 -0.00 -0.52 -5.10 115.22 108.94 3kf6 n HIS 153 Ca 0.00 0.28 0.06 0.00 0.46 0.00 0.00 57.72 58.53 3kf6 n HIS 153 Cb 0.91 -0.96 0.05 0.00 -0.12 0.00 0.00 29.99 29.87 3kf6 n HIS 153 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52