#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfp s GLN 2 N 0.00 3.96 -0.10 0.54 0.74 -1.26 -5.09 119.66 118.45 3kfp s GLN 2 Ca 0.00 -0.32 -0.02 0.00 0.05 0.00 0.00 55.36 55.08 3kfp s GLN 2 Cb 0.00 -3.65 -0.03 0.00 1.10 0.00 0.00 33.01 30.43 3kfp s GLN 2 CO 0.00 -0.16 -0.02 0.42 -0.55 0.00 0.00 175.29 174.98 3kfp s ILE 3 N 1.70 4.07 0.37 -2.34 1.01 -1.26 -5.12 121.20 119.63 3kfp s ILE 3 Ca 0.07 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 60.46 3kfp s ILE 3 Cb -0.16 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 3kfp s ILE 3 CO 0.10 0.58 0.46 0.42 0.00 0.00 0.00 174.94 176.50 3kfp s THR 4 N -0.56 3.51 -0.90 2.92 -4.23 -1.26 -5.05 115.64 110.07 3kfp s THR 4 Ca 0.09 -1.10 0.10 0.00 -1.18 0.00 0.00 61.69 59.60 3kfp s THR 4 Cb -0.12 -3.20 0.29 0.00 1.34 0.00 0.00 72.50 70.81 3kfp s THR 4 CO 0.02 -0.10 1.24 0.18 -0.54 0.00 0.00 174.62 175.42 3kfp n LEU 5 N -1.64 2.87 -0.01 4.79 4.77 -1.26 -4.39 117.00 122.13 3kfp n LEU 5 Ca 0.02 -1.98 0.17 0.00 -0.03 0.00 0.00 56.01 54.19 3kfp n LEU 5 Cb 0.59 -0.22 0.63 0.00 -2.33 0.00 0.00 43.42 42.09 3kfp n LEU 5 CO 0.41 0.72 1.18 -0.50 -1.33 0.00 0.00 177.39 177.87 3kfp h TRP 6 N 1.95 0.14 -3.55 -1.77 4.06 -2.07 -3.41 115.95 111.30 3kfp h TRP 6 Ca 0.00 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.38 3kfp h TRP 6 Cb 0.72 -0.04 -0.20 0.00 -1.00 0.00 0.00 29.16 28.64 3kfp h TRP 6 CO 0.22 0.06 -0.81 0.15 -3.56 0.00 0.00 178.44 174.49 3kfp s LYS 7 N -5.13 1.28 0.27 0.49 1.02 -1.26 -5.11 119.74 111.30 3kfp s LYS 7 Ca -0.06 -1.34 -0.29 0.00 0.02 0.00 0.00 55.97 54.30 3kfp s LYS 7 Cb 0.20 -1.51 -0.14 0.00 -0.52 0.00 0.00 37.83 35.85 3kfp s LYS 7 CO 0.73 0.33 0.98 0.54 -0.92 0.00 0.00 175.35 177.02 3kfp n ARG 8 N 0.61 1.21 -1.80 1.68 1.74 -1.26 -4.83 116.66 114.01 3kfp n ARG 8 Ca -0.16 0.43 -0.40 0.00 -0.77 0.00 0.00 57.85 56.95 3kfp n ARG 8 Cb 0.55 -1.78 -0.01 0.00 -1.02 0.00 0.00 32.46 30.20 3kfp n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3kfp n PRO 9 N 0.86 3.89 -2.93 5.56 -0.04 -1.26 -4.93 135.00 136.16 3kfp n PRO 9 Ca 0.11 -2.95 -0.40 0.00 -0.04 0.00 0.00 63.50 60.21 3kfp n PRO 9 Cb 0.31 -2.83 -0.04 0.00 -0.04 0.00 0.00 33.50 30.89 3kfp n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kfp s LEU 10 N -0.42 4.35 0.21 1.53 1.43 -1.26 -1.58 118.68 122.94 3kfp s LEU 10 Ca 0.55 1.38 0.05 0.00 -1.03 0.00 0.00 54.13 55.08 3kfp s LEU 10 Cb 0.16 -3.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.07 3kfp s LEU 10 CO -0.06 -0.15 -0.07 0.68 0.23 0.00 0.00 176.35 176.98 3kfp s VAL 11 N 0.76 1.34 0.06 -1.59 -7.23 0.49 -4.92 120.40 109.31 3kfp s VAL 11 Ca 0.42 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.19 3kfp s VAL 11 Cb -0.19 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 3kfp s VAL 11 CO 0.22 -0.49 1.12 -0.89 -0.31 0.00 0.00 175.10 174.74 3kfp s THR 12 N -3.22 4.27 0.22 5.32 2.01 -1.26 -1.02 115.64 121.96 3kfp s THR 12 Ca 0.24 1.67 0.11 0.00 0.31 0.00 0.00 61.69 64.02 3kfp s THR 12 Cb 0.03 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 3kfp s THR 12 CO 0.07 0.15 -0.22 0.27 -0.69 0.00 0.00 174.62 174.20 3kfp s ILE 13 N 0.88 2.31 -0.10 1.82 -4.36 0.54 -0.53 121.20 121.76 3kfp s ILE 13 Ca 0.55 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.80 3kfp s ILE 13 Cb -0.27 -2.15 0.02 0.00 1.25 0.00 0.00 42.46 41.31 3kfp s ILE 13 CO 0.29 -0.25 -0.12 -0.75 0.24 0.00 0.00 174.94 174.35 3kfp s LYS 14 N -3.00 1.89 -0.08 0.37 2.20 0.07 -0.96 119.74 120.23 3kfp s LYS 14 Ca 0.23 -0.44 -0.09 0.00 -0.36 0.00 0.00 55.97 55.32 3kfp s LYS 14 Cb -0.06 -1.68 0.02 0.00 -1.51 0.00 0.00 37.83 34.60 3kfp s LYS 14 CO 0.11 -0.10 0.24 -1.50 -0.36 0.00 0.00 175.35 173.74 3kfp s ILE 15 N 1.12 0.01 -1.33 5.43 2.07 -0.25 -0.57 121.20 127.67 3kfp s ILE 15 Ca -0.05 -0.07 -0.10 0.00 -1.41 0.00 0.00 60.65 59.02 3kfp s ILE 15 Cb -0.14 -0.37 0.08 0.00 0.13 0.00 0.00 42.46 42.16 3kfp s ILE 15 CO -0.02 -0.04 0.53 0.61 -1.91 0.00 0.00 174.94 174.11 3kfp n GLY 16 N 2.77 -0.48 2.82 1.50 0.00 -1.26 -0.54 105.19 110.00 3kfp n GLY 16 Ca -0.14 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3kfp n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfp n GLY 17 N -1.21 0.75 3.57 -0.02 0.00 -1.26 -5.01 105.19 102.01 3kfp n GLY 17 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3kfp n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kfp s GLN 18 N -0.16 2.30 -0.11 1.61 -0.21 0.30 -5.10 119.66 118.28 3kfp s GLN 18 Ca 0.00 -0.90 -0.13 0.00 0.02 0.00 0.00 55.36 54.35 3kfp s GLN 18 Cb 0.00 -2.37 -0.05 0.00 1.00 0.00 0.00 33.01 31.59 3kfp s GLN 18 CO 0.00 0.55 0.31 -0.51 -2.12 0.00 0.00 175.29 173.52 3kfp s LEU 19 N -1.80 4.32 0.17 2.90 1.43 -1.26 -1.10 118.68 123.34 3kfp s LEU 19 Ca 0.19 0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 53.90 3kfp s LEU 19 Cb -0.11 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 3kfp s LEU 19 CO 0.10 0.18 0.13 -0.54 0.23 0.00 0.00 176.35 176.46 3kfp s LYS 20 N -0.07 1.11 0.03 1.70 1.02 -0.13 -5.01 119.74 118.39 3kfp s LYS 20 Ca 0.19 -1.51 0.04 0.00 0.02 0.00 0.00 55.97 54.71 3kfp s LYS 20 Cb -0.14 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.41 3kfp s LYS 20 CO 0.07 -0.36 -0.06 -1.21 -0.92 0.00 0.00 175.35 172.87 3kfp s GLU 21 N -4.10 2.50 0.02 1.68 2.02 -1.26 -0.34 118.70 119.22 3kfp s GLU 21 Ca 0.31 -0.77 -0.09 0.00 0.02 0.00 0.00 54.97 54.43 3kfp s GLU 21 Cb 0.07 -2.49 0.01 0.00 0.10 0.00 0.00 34.13 31.81 3kfp s GLU 21 CO 0.07 0.58 0.19 0.00 0.02 0.00 0.00 175.26 176.13 3kfp s ALA 22 N -1.06 -0.40 -0.18 5.21 0.00 -0.19 -4.43 121.76 120.71 3kfp s ALA 22 Ca 0.19 -0.17 -0.19 0.00 0.00 0.00 0.00 51.96 51.78 3kfp s ALA 22 Cb -0.11 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 3kfp s ALA 22 CO 0.10 -0.31 0.56 -1.17 0.00 0.00 0.00 175.76 174.94 3kfp s LEU 23 N -1.81 4.18 -0.57 0.00 2.96 0.51 -0.38 118.68 123.57 3kfp s LEU 23 Ca -0.09 0.78 -0.28 0.00 -0.22 0.00 0.00 54.13 54.33 3kfp s LEU 23 Cb -0.03 -2.79 0.01 0.00 0.50 0.00 0.00 46.19 43.89 3kfp s LEU 23 CO -0.01 -0.17 1.41 -0.76 -1.32 0.00 0.00 176.35 175.50 3kfp s LEU 24 N 1.48 3.39 -0.46 -0.68 1.43 -0.61 -0.36 118.68 122.87 3kfp s LEU 24 Ca 0.27 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.65 3kfp s LEU 24 Cb -0.16 -3.03 0.12 0.00 0.03 0.00 0.00 46.19 43.16 3kfp s LEU 24 CO 0.11 -1.72 0.20 -0.62 0.23 0.00 0.00 176.35 174.54 3kfp s ASP 25 N 4.44 4.59 0.40 2.29 2.15 -0.50 -4.80 116.67 125.25 3kfp s ASP 25 Ca 0.52 -2.65 0.28 0.00 0.43 0.00 0.00 52.55 51.13 3kfp s ASP 25 Cb -0.11 -1.66 1.34 0.00 -0.30 0.00 0.00 42.92 42.19 3kfp s ASP 25 CO 0.24 -0.31 1.85 0.71 -0.17 0.00 0.00 175.17 177.50 3kfp h THR 26 N 5.91 0.00 -0.05 1.71 1.35 -1.93 -1.74 112.91 118.16 3kfp h THR 26 Ca -0.06 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3kfp h THR 26 Cb 0.95 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3kfp h THR 26 CO 0.63 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 3kfp n GLY 27 N -0.51 -0.50 3.26 5.82 0.00 -1.26 -4.80 105.19 107.20 3kfp n GLY 27 Ca 0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3kfp n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfp s ALA 28 N -1.94 2.83 0.29 4.61 0.00 -0.65 -4.97 121.76 121.92 3kfp s ALA 28 Ca 0.33 -1.42 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 3kfp s ALA 28 Cb 0.16 -1.84 0.41 0.00 0.00 0.00 0.00 23.12 21.86 3kfp s ALA 28 CO 0.26 -0.80 1.90 -0.44 0.00 0.00 0.00 175.76 176.68 3kfp h ASP 29 N 8.09 0.88 -2.06 0.00 3.32 -1.87 0.26 116.42 125.05 3kfp h ASP 29 Ca -0.33 -0.09 -0.59 0.00 0.02 0.00 0.00 57.03 56.04 3kfp h ASP 29 Cb 1.12 -0.22 -0.12 0.00 0.22 0.00 0.00 39.33 40.33 3kfp h ASP 29 CO 0.59 0.73 -0.68 -1.81 -1.72 0.00 0.00 179.24 176.35 3kfp s ASP 30 N -6.43 3.98 -0.22 6.45 1.01 -1.26 -2.63 116.67 117.56 3kfp s ASP 30 Ca -0.11 -0.98 -0.10 0.00 0.71 0.00 0.00 52.55 52.07 3kfp s ASP 30 Cb 0.17 -0.48 -0.05 0.00 1.01 0.00 0.00 42.92 43.57 3kfp s ASP 30 CO 0.80 -0.11 0.14 -0.89 0.21 0.00 0.00 175.17 175.32 3kfp s THR 31 N -2.50 5.28 -0.05 -1.27 2.01 -1.26 -2.98 115.64 114.86 3kfp s THR 31 Ca 0.32 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.48 3kfp s THR 31 Cb -0.02 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 69.07 3kfp s THR 31 CO 0.18 0.39 -0.04 0.54 -0.69 0.00 0.00 174.62 174.99 3kfp s VAL 32 N 0.79 0.57 0.17 3.82 0.11 0.05 -1.11 120.40 124.80 3kfp s VAL 32 Ca 0.07 -0.11 0.11 0.00 -2.93 0.00 0.00 61.98 59.12 3kfp s VAL 32 Cb -0.13 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 3kfp s VAL 32 CO 0.02 0.25 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.07 3kfp s LEU 33 N 1.14 2.55 0.81 2.54 1.43 0.12 -0.21 118.68 127.06 3kfp s LEU 33 Ca -0.07 -0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 52.11 3kfp s LEU 33 Cb -0.14 -1.31 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 3kfp s LEU 33 CO -0.01 0.13 0.23 -0.62 0.23 0.00 0.00 176.35 176.31 3kfp n GLU 34 N 0.37 0.07 -1.55 1.70 1.02 -1.26 -2.32 120.64 118.68 3kfp n GLU 34 Ca -0.13 0.06 -0.58 0.00 -0.02 0.00 0.00 57.16 56.49 3kfp n GLU 34 Cb 0.55 -1.63 -0.08 0.00 -0.02 0.00 0.00 31.44 30.26 3kfp n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3kfp n GLU 35 N -0.28 0.34 -3.62 3.49 4.07 -1.23 -4.58 120.64 118.83 3kfp n GLU 35 Ca 0.07 0.12 -0.08 0.00 -0.06 0.00 0.00 57.16 57.21 3kfp n GLU 35 Cb 0.52 -1.66 -0.06 0.00 -0.06 0.00 0.00 31.44 30.17 3kfp n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kfp s MET 36 N 0.45 0.44 0.18 5.31 0.23 -1.26 -5.04 119.30 119.61 3kfp s MET 36 Ca 0.91 0.39 -0.30 0.00 -1.03 0.00 0.00 55.69 55.65 3kfp s MET 36 Cb -1.20 0.21 -0.08 0.00 -1.53 0.00 0.00 34.83 32.24 3kfp s MET 36 CO 0.56 -0.08 1.05 1.21 -2.03 0.00 0.00 175.02 175.74 3kfp s ASN 37 N -0.18 7.36 0.02 -1.18 3.84 -1.26 -5.02 114.94 118.52 3kfp s ASN 37 Ca 0.03 2.03 -0.02 0.00 0.21 0.00 0.00 52.86 55.12 3kfp s ASN 37 Cb -0.04 -2.60 -0.02 0.00 -0.55 0.00 0.00 41.25 38.04 3kfp s ASN 37 CO -0.06 -0.14 0.01 -0.76 -2.79 0.00 0.00 177.10 173.36 3kfp s LEU 38 N -0.50 2.12 -0.46 3.21 1.43 -1.26 -4.99 118.68 118.23 3kfp s LEU 38 Ca 0.47 -0.51 -0.37 0.00 -1.03 0.00 0.00 54.13 52.69 3kfp s LEU 38 Cb -0.28 0.25 -0.16 0.00 0.03 0.00 0.00 46.19 46.02 3kfp s LEU 38 CO 0.34 -0.37 1.87 -2.65 0.23 0.00 0.00 176.35 175.78 3kfp n PRO 39 N 1.33 0.00 0.00 1.29 -0.02 -1.26 -4.53 135.00 131.81 3kfp n PRO 39 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 3kfp n PRO 39 Cb 0.56 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 3kfp n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kfp n GLY 40 N 6.37 0.58 3.67 -1.23 0.00 -1.26 -4.85 105.19 108.47 3kfp n GLY 40 Ca 0.48 0.66 -0.35 0.00 0.00 0.00 0.00 46.02 46.81 3kfp n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kfp s ARG 41 N 0.00 3.97 0.28 1.61 3.52 -1.26 -5.10 118.95 121.96 3kfp s ARG 41 Ca 0.00 -0.31 0.04 0.00 -0.13 0.00 0.00 55.73 55.33 3kfp s ARG 41 Cb 0.00 -3.24 -0.06 0.00 -1.56 0.00 0.00 34.95 30.09 3kfp s ARG 41 CO 0.00 0.32 0.03 1.67 -0.81 0.00 0.00 175.30 176.50 3kfp s TRP 42 N 0.25 1.76 0.08 5.12 1.48 -1.26 -4.50 118.94 121.88 3kfp s TRP 42 Ca 0.05 -0.94 0.05 0.00 -1.06 0.00 0.00 56.10 54.20 3kfp s TRP 42 Cb -0.12 -1.08 -0.03 0.00 -1.16 0.00 0.00 33.47 31.08 3kfp s TRP 42 CO -0.00 -0.02 -0.13 -1.59 -4.06 0.00 0.00 176.95 171.16 3kfp s LYS 43 N -3.88 0.83 0.56 3.25 -2.85 -0.86 -4.93 119.74 111.88 3kfp s LYS 43 Ca 0.33 -1.04 -0.20 0.00 -1.00 0.00 0.00 55.97 54.06 3kfp s LYS 43 Cb 0.07 -0.72 -0.05 0.00 -2.06 0.00 0.00 37.83 35.08 3kfp s LYS 43 CO 0.12 0.14 1.19 -1.25 0.10 0.00 0.00 175.35 175.66 3kfp s PRO 44 N -2.15 3.17 0.08 1.78 0.04 -1.26 -0.99 135.00 135.66 3kfp s PRO 44 Ca 0.01 1.80 -0.16 0.00 0.04 0.00 0.00 61.00 62.69 3kfp s PRO 44 Cb -0.07 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.47 3kfp s PRO 44 CO 0.02 -1.04 0.37 0.21 0.04 0.00 0.00 177.00 176.60 3kfp s LYS 45 N -3.21 0.95 0.09 4.56 2.20 -0.52 -4.78 119.74 119.03 3kfp s LYS 45 Ca 0.74 -0.55 0.08 0.00 -0.36 0.00 0.00 55.97 55.89 3kfp s LYS 45 Cb -0.29 0.42 -0.03 0.00 -1.51 0.00 0.00 37.83 36.41 3kfp s LYS 45 CO 0.33 -0.34 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.12 3kfp s MET 46 N -3.06 1.22 0.04 4.03 -1.94 -1.26 0.15 119.30 118.48 3kfp s MET 46 Ca -0.02 -1.15 0.03 0.00 -1.71 0.00 0.00 55.69 52.85 3kfp s MET 46 Cb 0.01 -1.49 -0.02 0.00 2.01 0.00 0.00 34.83 35.33 3kfp s MET 46 CO -0.07 0.36 -0.11 0.96 -0.01 0.00 0.00 175.02 176.15 3kfp s ILE 47 N -1.07 0.81 0.29 2.53 -4.36 -0.73 -4.97 121.20 113.69 3kfp s ILE 47 Ca 0.08 -0.92 0.10 0.00 -0.26 0.00 0.00 60.65 59.64 3kfp s ILE 47 Cb -0.10 -0.77 -0.05 0.00 1.25 0.00 0.00 42.46 42.79 3kfp s ILE 47 CO 0.04 -0.13 -0.14 -0.83 0.24 0.00 0.00 174.94 174.13 3kfp s GLY 48 N -1.17 1.89 0.00 6.27 0.00 -1.26 -1.13 107.32 111.92 3kfp s GLY 48 Ca -0.02 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 42.79 3kfp s GLY 48 CO 0.01 -1.93 0.00 0.61 0.00 0.00 0.00 173.10 171.79 3kfp n GLY 49 N -0.62 3.69 3.57 0.20 0.00 -0.07 -4.98 105.19 106.98 3kfp n GLY 49 Ca -0.06 -0.39 -0.47 0.00 0.00 0.00 0.00 46.02 45.11 3kfp n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kfp n ILE 50 N 0.00 0.38 0.00 -0.61 2.08 -1.26 -0.81 119.36 119.14 3kfp n ILE 50 Ca 0.00 -0.29 0.00 0.00 0.56 0.00 0.00 62.75 63.02 3kfp n ILE 50 Cb 0.00 -2.07 0.00 0.00 -0.75 0.00 0.00 39.64 36.82 3kfp n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3kfp n GLY 51 N 5.61 0.46 0.00 7.39 0.00 -1.26 -5.00 105.19 112.39 3kfp n GLY 51 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3kfp n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfp n GLY 52 N -1.50 0.35 3.65 -0.02 0.00 0.01 -5.07 105.19 102.61 3kfp n GLY 52 Ca 0.00 -1.82 -0.25 0.00 0.00 0.00 0.00 46.02 43.95 3kfp n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kfp s PHE 53 N 0.00 2.77 0.06 1.61 0.08 -1.26 -0.89 117.98 120.34 3kfp s PHE 53 Ca 0.00 -0.18 0.04 0.00 0.12 0.00 0.00 56.93 56.91 3kfp s PHE 53 Cb 0.00 -1.30 -0.03 0.00 -0.57 0.00 0.00 43.02 41.12 3kfp s PHE 53 CO 0.00 0.55 -0.11 0.96 -0.10 0.00 0.00 175.22 176.52 3kfp s ILE 54 N -1.94 0.87 -0.06 0.64 -4.36 -0.29 -4.98 121.20 111.08 3kfp s ILE 54 Ca 0.28 -1.19 -0.20 0.00 -0.26 0.00 0.00 60.65 59.29 3kfp s ILE 54 Cb -0.08 -0.87 -0.05 0.00 1.25 0.00 0.00 42.46 42.71 3kfp s ILE 54 CO 0.19 -0.28 0.56 -0.54 0.24 0.00 0.00 174.94 175.11 3kfp s LYS 55 N -1.63 4.32 0.28 0.37 1.02 -1.26 -1.77 119.74 121.06 3kfp s LYS 55 Ca -0.05 0.63 0.02 0.00 0.02 0.00 0.00 55.97 56.60 3kfp s LYS 55 Cb -0.10 -3.39 -0.06 0.00 -0.52 0.00 0.00 37.83 33.77 3kfp s LYS 55 CO 0.01 0.26 0.08 0.14 -0.92 0.00 0.00 175.35 174.93 3kfp s VAL 56 N 0.21 0.81 -0.19 3.17 -7.23 0.12 -4.39 120.40 112.91 3kfp s VAL 56 Ca 0.30 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 3kfp s VAL 56 Cb -0.17 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 3kfp s VAL 56 CO 0.15 -0.02 -0.00 -0.13 -0.31 0.00 0.00 175.10 174.79 3kfp s ARG 57 N -3.97 3.65 -0.20 4.82 0.52 0.47 -1.43 118.95 122.79 3kfp s ARG 57 Ca 0.37 -0.51 -0.17 0.00 -0.52 0.00 0.00 55.73 54.90 3kfp s ARG 57 Cb 0.08 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 3kfp s ARG 57 CO 0.14 0.07 0.44 -1.14 0.02 0.00 0.00 175.30 174.83 3kfp s GLN 58 N 0.83 4.17 -0.12 3.54 0.74 -0.16 -1.60 119.66 127.07 3kfp s GLN 58 Ca 0.00 0.26 0.03 0.00 0.05 0.00 0.00 55.36 55.71 3kfp s GLN 58 Cb -0.14 -3.55 0.01 0.00 1.10 0.00 0.00 33.01 30.42 3kfp s GLN 58 CO 0.02 -0.09 -0.22 0.71 -0.55 0.00 0.00 175.29 175.16 3kfp s TYR 59 N 1.45 2.53 0.24 1.67 1.51 -0.51 -2.02 117.35 122.22 3kfp s TYR 59 Ca 0.21 -1.17 0.03 0.00 -1.01 0.00 0.00 57.07 55.12 3kfp s TYR 59 Cb -0.15 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 3kfp s TYR 59 CO 0.09 -0.52 0.39 -0.51 -1.11 0.00 0.00 175.55 173.89 3kfp s ASP 60 N 0.65 6.33 -1.45 2.29 1.01 -1.26 -0.27 116.67 123.97 3kfp s ASP 60 Ca -0.12 0.20 -0.05 0.00 0.71 0.00 0.00 52.55 53.30 3kfp s ASP 60 Cb -0.16 -1.92 0.04 0.00 1.01 0.00 0.00 42.92 41.88 3kfp s ASP 60 CO 0.02 -0.09 0.61 0.00 0.21 0.00 0.00 175.17 175.92 3kfp n GLN 61 N -1.26 -3.95 -3.62 8.23 6.02 -1.12 -4.91 117.38 116.76 3kfp n GLN 61 Ca -0.07 0.47 -0.38 0.00 -0.01 0.00 0.00 57.00 57.01 3kfp n GLN 61 Cb 0.56 -4.89 -0.06 0.00 1.02 0.00 0.00 30.24 26.87 3kfp n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3kfp s ILE 62 N -3.70 5.20 -0.14 5.09 -1.09 0.77 -4.70 121.20 122.63 3kfp s ILE 62 Ca 0.21 0.62 -0.19 0.00 -2.23 0.00 0.00 60.65 59.06 3kfp s ILE 62 Cb -0.11 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 3kfp s ILE 62 CO 0.87 0.58 0.51 -0.22 -1.23 0.00 0.00 174.94 175.44 3kfp s LEU 63 N -0.93 4.24 -0.01 2.97 2.96 -1.26 -0.92 118.68 125.73 3kfp s LEU 63 Ca 0.20 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 54.93 3kfp s LEU 63 Cb -0.15 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 43.81 3kfp s LEU 63 CO 0.10 -0.07 -0.05 -0.51 -1.32 0.00 0.00 176.35 174.50 3kfp s ILE 64 N 0.96 0.44 -0.17 6.68 2.07 -0.32 -4.48 121.20 126.37 3kfp s ILE 64 Ca 0.26 -0.20 -0.14 0.00 -1.41 0.00 0.00 60.65 59.17 3kfp s ILE 64 Cb -0.15 -0.40 -0.05 0.00 0.13 0.00 0.00 42.46 41.99 3kfp s ILE 64 CO 0.11 0.14 0.29 -0.70 -1.91 0.00 0.00 174.94 172.87 3kfp s GLU 65 N 0.12 4.24 -0.29 3.50 2.12 0.26 -1.14 118.70 127.51 3kfp s GLU 65 Ca -0.01 0.07 0.03 0.00 0.36 0.00 0.00 54.97 55.42 3kfp s GLU 65 Cb -0.05 -3.45 0.07 0.00 0.26 0.00 0.00 34.13 30.96 3kfp s GLU 65 CO -0.00 0.20 -0.05 0.42 -0.54 0.00 0.00 175.26 175.28 3kfp s ILE 66 N 0.60 2.29 -1.53 -3.70 1.01 0.21 -0.75 121.20 119.33 3kfp s ILE 66 Ca 0.16 -1.81 -0.08 0.00 0.00 0.00 0.00 60.65 58.92 3kfp s ILE 66 Cb -0.13 -2.44 0.06 0.00 0.01 0.00 0.00 42.46 39.96 3kfp s ILE 66 CO 0.04 -0.20 0.57 0.00 0.00 0.00 0.00 174.94 175.35 3kfp n GLY 68 N -1.78 2.11 3.60 0.00 0.00 -1.26 -5.03 105.19 102.82 3kfp n GLY 68 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 3kfp n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kfp s HIS 69 N -2.32 3.23 0.26 1.61 4.02 -0.07 -5.05 115.29 116.97 3kfp s HIS 69 Ca 0.00 0.18 -0.29 0.00 1.02 0.00 0.00 55.06 55.97 3kfp s HIS 69 Cb 0.00 -2.41 -0.09 0.00 -1.02 0.00 0.00 32.58 29.05 3kfp s HIS 69 CO 0.00 -0.17 0.96 0.15 1.02 0.00 0.00 174.74 176.71 3kfp s LYS 70 N 1.80 4.79 0.03 1.40 1.02 -1.26 -0.62 119.74 126.90 3kfp s LYS 70 Ca 0.09 1.52 -0.08 0.00 0.02 0.00 0.00 55.97 57.52 3kfp s LYS 70 Cb -0.16 -3.21 -0.00 0.00 -0.52 0.00 0.00 37.83 33.94 3kfp s LYS 70 CO 0.11 0.44 0.15 0.00 -0.92 0.00 0.00 175.35 175.13 3kfp s ALA 71 N -1.23 -0.24 -0.07 5.17 0.00 -0.29 -4.86 121.76 120.25 3kfp s ALA 71 Ca 0.43 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.04 3kfp s ALA 71 Cb -0.26 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.12 3kfp s ALA 71 CO 0.32 -0.32 -0.11 0.42 0.00 0.00 0.00 175.76 176.07 3kfp s ILE 72 N -2.42 1.05 0.00 0.00 1.01 -1.26 -1.18 121.20 118.41 3kfp s ILE 72 Ca -0.06 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 3kfp s ILE 72 Cb -0.02 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.48 3kfp s ILE 72 CO -0.03 0.34 0.11 0.61 0.00 0.00 0.00 174.94 175.97 3kfp n GLY 73 N 3.91 0.73 3.74 6.18 0.00 -0.09 -4.86 105.19 114.79 3kfp n GLY 73 Ca -0.23 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 3kfp n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kfp s THR 74 N -2.22 4.63 -0.07 2.61 2.01 -1.26 -0.16 115.64 121.18 3kfp s THR 74 Ca 0.03 1.85 0.02 0.00 0.31 0.00 0.00 61.69 63.89 3kfp s THR 74 Cb -0.00 -4.22 0.02 0.00 0.01 0.00 0.00 72.50 68.31 3kfp s THR 74 CO 0.00 0.33 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.46 3kfp s VAL 75 N 0.01 1.08 0.06 3.82 1.01 0.63 -4.51 120.40 122.51 3kfp s VAL 75 Ca 0.43 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 3kfp s VAL 75 Cb -0.22 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 3kfp s VAL 75 CO 0.26 0.35 0.36 -0.76 0.00 0.00 0.00 175.10 175.31 3kfp s LEU 76 N 0.84 4.36 -0.04 3.92 1.43 -0.27 -1.42 118.68 127.49 3kfp s LEU 76 Ca -0.11 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 53.72 3kfp s LEU 76 Cb -0.15 -2.88 0.01 0.00 0.03 0.00 0.00 46.19 43.20 3kfp s LEU 76 CO 0.02 0.20 -0.11 -0.69 0.23 0.00 0.00 176.35 176.00 3kfp s VAL 77 N -1.36 0.94 -0.52 -1.59 1.01 -0.62 0.11 120.40 118.36 3kfp s VAL 77 Ca 0.31 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.88 3kfp s VAL 77 Cb -0.14 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.39 3kfp s VAL 77 CO 0.17 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3kfp n GLY 78 N 3.50 -1.26 1.78 4.51 0.00 -0.98 -0.40 105.19 112.34 3kfp n GLY 78 Ca -0.20 -0.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.92 3kfp n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kfp n PRO 79 N -0.01 1.10 -2.51 1.61 -0.04 -1.26 -3.50 135.00 130.39 3kfp n PRO 79 Ca 0.00 -0.30 -0.38 0.00 -0.04 0.00 0.00 63.50 62.78 3kfp n PRO 79 Cb 0.00 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.03 3kfp n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3kfp s THR 80 N 0.76 3.60 -0.98 0.52 -1.32 -1.26 -4.99 115.64 111.96 3kfp s THR 80 Ca 0.20 1.40 0.27 0.00 -1.21 0.00 0.00 61.69 62.35 3kfp s THR 80 Cb 0.09 -3.81 0.15 0.00 -1.51 0.00 0.00 72.50 67.43 3kfp s THR 80 CO 0.00 0.17 1.73 -0.81 -2.21 0.00 0.00 174.62 173.50 3kfp n PRO 81 N 0.50 0.01 -3.86 7.08 -0.04 -1.26 -4.51 135.00 132.93 3kfp n PRO 81 Ca 0.02 0.01 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 3kfp n PRO 81 Cb 0.47 -1.51 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 3kfp n PRO 81 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kfp s VAL 82 N -3.01 0.03 0.08 0.52 -7.23 -1.26 -5.05 120.40 104.47 3kfp s VAL 82 Ca 0.13 -0.21 -0.31 0.00 -1.81 0.00 0.00 61.98 59.78 3kfp s VAL 82 Cb 0.18 -0.20 -0.06 0.00 0.56 0.00 0.00 36.38 36.86 3kfp s VAL 82 CO 0.60 -0.12 1.25 0.20 -0.31 0.00 0.00 175.10 176.73 3kfp s ASN 83 N -0.34 7.01 -0.07 4.85 0.01 -1.26 -4.68 114.94 120.45 3kfp s ASN 83 Ca -0.04 2.11 0.03 0.00 -0.71 0.00 0.00 52.86 54.25 3kfp s ASN 83 Cb -0.03 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.06 3kfp s ASN 83 CO 0.00 -0.52 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.28 3kfp s ILE 84 N 1.06 1.45 -0.39 0.60 1.01 0.70 -0.36 121.20 125.28 3kfp s ILE 84 Ca 0.60 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 3kfp s ILE 84 Cb -0.32 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 40.90 3kfp s ILE 84 CO 0.30 0.42 0.24 -0.63 0.00 0.00 0.00 174.94 175.27 3kfp s ILE 85 N 0.43 4.76 0.56 2.92 -1.09 0.52 -0.77 121.20 128.52 3kfp s ILE 85 Ca -0.13 -0.85 -0.01 0.00 -2.23 0.00 0.00 60.65 57.42 3kfp s ILE 85 Cb -0.15 -3.68 0.11 0.00 -1.58 0.00 0.00 42.46 37.16 3kfp s ILE 85 CO 0.05 -0.29 0.77 0.61 -1.23 0.00 0.00 174.94 174.85 3kfp n GLY 86 N 5.04 0.47 0.28 6.18 0.00 -1.16 -1.41 105.19 114.59 3kfp n GLY 86 Ca -0.11 -1.98 0.12 0.00 0.00 0.00 0.00 46.02 44.05 3kfp n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kfp h ARG 87 N 0.00 0.00 -0.86 1.61 3.08 -0.46 -1.62 114.38 116.13 3kfp h ARG 87 Ca -0.25 0.00 0.19 0.00 0.07 0.00 0.00 59.98 59.99 3kfp h ARG 87 Cb 0.91 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.84 3kfp h ARG 87 CO 0.26 0.05 0.38 -2.95 -1.07 0.00 0.00 179.97 176.64 3kfp h ASN 88 N 0.00 0.35 0.24 7.04 7.08 -1.75 -1.67 115.58 126.88 3kfp h ASN 88 Ca -0.00 0.13 -0.30 0.00 -3.08 0.00 0.00 56.30 53.05 3kfp h ASN 88 Cb 0.11 0.10 -0.06 0.00 -2.08 0.00 0.00 38.32 36.40 3kfp h ASN 88 CO 0.01 0.06 -2.03 0.18 -2.08 0.00 0.00 177.43 173.57 3kfp n LEU 89 N -5.00 0.39 -0.31 6.14 4.77 -0.94 -4.20 117.00 117.85 3kfp n LEU 89 Ca 0.19 0.18 -0.03 0.00 -0.03 0.00 0.00 56.01 56.33 3kfp n LEU 89 Cb 0.56 0.32 0.13 0.00 -2.33 0.00 0.00 43.42 42.09 3kfp n LEU 89 CO 0.15 0.40 1.19 -0.07 -1.33 0.00 0.00 177.39 177.74 3kfp h LEU 90 N 0.00 1.06 -0.18 2.23 3.38 -1.07 -1.96 115.31 118.77 3kfp h LEU 90 Ca -0.39 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.53 3kfp h LEU 90 Cb 2.03 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.49 3kfp h LEU 90 CO 0.05 0.84 0.02 0.71 0.09 0.00 0.00 178.44 180.15 3kfp h THR 91 N 1.21 0.90 0.00 0.22 1.35 -1.52 -0.07 112.91 115.00 3kfp h THR 91 Ca 0.31 -0.03 -0.02 0.00 -0.55 0.00 0.00 66.41 66.12 3kfp h THR 91 Cb -0.01 0.80 -0.00 0.00 -1.73 0.00 0.00 68.15 67.21 3kfp h THR 91 CO -0.05 0.02 -0.08 1.56 -0.25 0.00 0.00 175.52 176.71 3kfp h GLN 92 N 0.09 0.00 -0.01 4.72 4.20 -1.54 0.77 115.11 123.34 3kfp h GLN 92 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3kfp h GLN 92 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3kfp h GLN 92 CO -0.12 0.08 -0.18 0.44 -0.67 0.00 0.00 178.83 178.38 3kfp n ILE 93 N -4.21 0.00 -0.95 2.54 -5.35 -0.90 -4.95 119.36 105.53 3kfp n ILE 93 Ca -0.03 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 3kfp n ILE 93 Cb 0.16 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 3kfp n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kfp n GLY 94 N 1.30 0.48 3.71 3.28 0.00 0.26 -5.00 105.19 109.22 3kfp n GLY 94 Ca 0.14 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 3kfp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfp s THR 96 N 1.12 1.45 -0.12 0.00 -4.23 -1.26 -4.70 115.64 107.90 3kfp s THR 96 Ca 0.62 -1.85 -0.13 0.00 -1.18 0.00 0.00 61.69 59.15 3kfp s THR 96 Cb -0.34 -1.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.78 3kfp s THR 96 CO 0.30 -0.45 0.30 -0.76 -0.54 0.00 0.00 174.62 173.47 3kfp s LEU 97 N -2.66 4.31 -0.05 4.79 1.43 -1.26 -5.08 118.68 120.16 3kfp s LEU 97 Ca 0.12 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 3kfp s LEU 97 Cb -0.04 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 43.81 3kfp s LEU 97 CO 0.04 0.18 -0.09 0.20 0.23 0.00 0.00 176.35 176.90 3kfp s ASN 98 N -0.01 1.42 0.00 2.29 0.01 -1.26 -5.29 114.94 112.09 3kfp s ASN 98 Ca 0.18 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 3kfp s ASN 98 Cb -0.14 -0.60 0.00 0.00 0.41 0.00 0.00 41.25 40.92 3kfp s ASN 98 CO 0.06 0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.89