#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kax s GLU 2 N 0.00 2.71 0.20 0.03 4.04 -1.26 -5.17 118.70 119.26 2kax s GLU 2 Ca 0.00 -0.96 0.00 0.00 0.04 0.00 0.00 54.97 54.05 2kax s GLU 2 Cb 0.00 -2.54 -0.00 0.00 0.02 0.00 0.00 34.13 31.61 2kax s GLU 2 CO 0.00 0.47 0.26 0.25 -1.84 0.00 0.00 175.26 174.40 2kax n THR 3 N -0.28 0.00 0.07 1.83 -2.24 -1.26 -5.10 114.28 107.30 2kax n THR 3 Ca -0.09 -1.13 0.02 0.00 -2.27 0.00 0.00 64.05 60.58 2kax n THR 3 Cb 0.55 0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 69.39 2kax n THR 3 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2kax h PRO 4 N 0.00 0.00 0.01 -0.78 0.13 -2.02 -3.37 132.00 125.97 2kax h PRO 4 Ca -0.15 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.78 2kax h PRO 4 Cb 0.70 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 2kax h PRO 4 CO 0.21 0.30 -0.91 1.25 -0.23 0.00 0.00 178.00 178.62 2kax h LEU 5 N 0.00 0.07 -1.82 1.56 5.85 -2.02 -2.79 115.31 116.16 2kax h LEU 5 Ca -0.11 -0.06 0.17 0.00 0.84 0.00 0.00 57.88 58.72 2kax h LEU 5 Cb 1.46 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.43 2kax h LEU 5 CO 0.04 0.94 0.48 1.05 -0.34 0.00 0.00 178.44 180.62 2kax h GLU 6 N 0.02 0.16 0.00 1.25 -0.00 -2.00 -1.15 114.58 112.87 2kax h GLU 6 Ca -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.36 59.32 2kax h GLU 6 Cb 1.59 -0.04 -0.00 0.00 -0.00 0.00 0.00 28.75 30.30 2kax h GLU 6 CO 0.12 0.11 -0.02 0.87 -0.00 0.00 0.00 179.01 180.09 2kax h LYS 7 N 0.17 0.00 -0.04 1.06 1.79 -1.66 0.15 116.57 118.04 2kax h LYS 7 Ca 0.34 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.78 2kax h LYS 7 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2kax h LYS 7 CO -0.06 0.02 -0.08 0.00 -1.08 0.00 0.00 179.45 178.25 2kax h ALA 8 N 1.98 0.06 -0.50 3.86 0.00 -1.34 -1.27 119.26 122.05 2kax h ALA 8 Ca -0.00 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.60 2kax h ALA 8 Cb 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2kax h ALA 8 CO 0.00 -0.08 0.31 -0.07 0.00 0.00 0.00 179.25 179.41 2kax h LEU 9 N -0.41 0.51 -0.63 0.00 -0.00 -1.17 -1.36 115.31 112.24 2kax h LEU 9 Ca 0.00 -0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.99 2kax h LEU 9 Cb 0.67 -0.11 -0.08 0.00 -0.00 0.00 0.00 40.66 41.14 2kax h LEU 9 CO 0.02 0.36 0.20 0.74 -0.00 0.00 0.00 178.44 179.76 2kax h THR 10 N 0.62 0.71 -0.39 0.22 2.02 -0.84 -0.37 112.91 114.88 2kax h THR 10 Ca 0.20 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2kax h THR 10 Cb -0.00 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 2kax h THR 10 CO -0.08 0.07 0.15 0.74 0.37 0.00 0.00 175.52 176.77 2kax h THR 11 N 0.36 1.19 -0.06 3.16 2.02 -0.67 -0.65 112.91 118.26 2kax h THR 11 Ca 0.33 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2kax h THR 11 Cb 0.45 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2kax h THR 11 CO -0.35 0.21 0.04 0.24 0.37 0.00 0.00 175.52 176.03 2kax h MET 12 N 0.48 0.08 -0.16 6.66 2.07 -0.81 -2.19 114.93 121.06 2kax h MET 12 Ca 0.13 -0.00 -0.11 0.00 -2.07 0.00 0.00 59.70 57.64 2kax h MET 12 Cb 0.19 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.89 2kax h MET 12 CO -0.01 0.06 -0.38 -0.39 1.07 0.00 0.00 176.91 177.25 2kax h VAL 13 N 0.08 1.30 -0.48 -2.22 -1.51 -1.03 -2.03 116.25 110.36 2kax h VAL 13 Ca 0.02 -1.49 -0.02 0.00 -1.23 0.00 0.00 66.70 63.99 2kax h VAL 13 Cb -0.01 1.60 -0.02 0.00 -2.13 0.00 0.00 31.29 30.73 2kax h VAL 13 CO -0.00 0.45 0.23 0.74 -1.23 0.00 0.00 177.57 177.75 2kax h THR 14 N 0.29 1.19 0.24 7.19 2.02 -0.97 -1.31 112.91 121.56 2kax h THR 14 Ca 0.03 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 2kax h THR 14 Cb 0.81 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2kax h THR 14 CO 0.06 0.21 -0.11 0.71 0.37 0.00 0.00 175.52 176.76 2kax h THR 15 N 0.63 0.72 -0.74 3.16 1.35 -1.31 -3.22 112.91 113.50 2kax h THR 15 Ca 0.16 -0.89 0.10 0.00 -0.55 0.00 0.00 66.41 65.23 2kax h THR 15 Cb 0.13 1.15 -0.07 0.00 -1.73 0.00 0.00 68.15 67.62 2kax h THR 15 CO -0.02 0.16 0.38 0.15 -0.25 0.00 0.00 175.52 175.94 2kax h PHE 16 N -0.85 0.67 -0.98 4.73 3.04 -1.42 -2.24 116.94 119.89 2kax h PHE 16 Ca -0.03 0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.04 2kax h PHE 16 Cb 0.51 -0.19 -0.07 0.00 2.56 0.00 0.00 35.95 38.76 2kax h PHE 16 CO 0.06 0.24 0.63 1.25 -2.02 0.00 0.00 178.31 178.46 2kax h HIS 17 N 0.63 1.13 -0.14 0.41 2.76 -1.32 -2.18 115.15 116.43 2kax h HIS 17 Ca 0.37 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.61 2kax h HIS 17 Cb 0.39 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 2kax h HIS 17 CO -0.10 0.52 0.14 -0.22 -1.30 0.00 0.00 177.93 176.97 2kax h LYS 18 N 1.05 0.00 -0.03 5.26 3.11 -1.41 0.85 116.57 125.40 2kax h LYS 18 Ca 0.45 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.29 2kax h LYS 18 Cb 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.56 2kax h LYS 18 CO -0.21 0.00 -0.05 0.66 -2.81 0.00 0.00 179.45 177.04 2kax n TYR 19 N -3.95 0.00 -0.03 1.91 4.02 -0.83 -4.42 117.16 113.85 2kax n TYR 19 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.82 2kax n TYR 19 Cb 0.26 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.55 2kax n TYR 19 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2kax n SER 20 N 1.02 1.27 -1.05 7.72 7.64 -0.00 -4.58 113.62 125.64 2kax n SER 20 Ca 0.14 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2kax n SER 20 Cb 0.55 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2kax n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kax n GLY 21 N 2.45 1.25 0.19 0.23 0.00 0.08 -3.76 105.19 105.64 2kax n GLY 21 Ca -0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.96 2kax n GLY 21 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kax h ARG 22 N 0.88 0.00 0.00 1.61 0.11 -1.79 -3.42 114.38 111.77 2kax h ARG 22 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2kax h ARG 22 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 2kax h ARG 22 CO 0.00 0.30 0.00 0.39 0.10 0.00 0.00 179.97 180.76 2kax n GLU 23 N -3.30 0.00 0.00 0.08 -0.58 -1.25 -5.16 120.64 110.43 2kax n GLU 23 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2kax n GLU 23 Cb 0.55 -0.18 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 2kax n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kax n GLY 24 N 0.16 1.26 3.17 0.62 0.00 -1.25 -5.12 105.19 104.04 2kax n GLY 24 Ca 0.00 0.35 -0.52 0.00 0.00 0.00 0.00 46.02 45.85 2kax n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kax n SER 25 N 0.00 0.59 0.00 1.61 7.64 -1.26 -4.25 113.62 117.95 2kax n SER 25 Ca 0.00 0.51 0.11 0.00 1.01 0.00 0.00 58.87 60.50 2kax n SER 25 Cb 0.00 -0.86 0.66 0.00 -1.01 0.00 0.00 64.21 62.99 2kax n SER 25 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kax n LYS 26 N 7.44 0.76 0.00 1.43 4.01 -1.26 -2.86 118.16 127.68 2kax n LYS 26 Ca 0.56 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.36 2kax n LYS 26 Cb -0.02 -1.45 0.00 0.00 -0.51 0.00 0.00 35.03 33.05 2kax n LYS 26 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 2kax n LEU 27 N -0.95 1.42 -4.20 -0.35 -0.00 -1.26 -4.66 117.00 106.99 2kax n LEU 27 Ca 0.17 -1.42 -0.14 0.00 -0.00 0.00 0.00 56.01 54.61 2kax n LEU 27 Cb 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.39 2kax n LEU 27 CO 0.12 0.36 -0.42 0.42 -0.00 0.00 0.00 177.39 177.88 2kax s THR 28 N -0.43 1.03 0.15 1.47 -4.23 -1.14 -3.52 115.64 108.97 2kax s THR 28 Ca 0.00 -1.80 -0.18 0.00 -1.18 0.00 0.00 61.69 58.53 2kax s THR 28 Cb 0.00 -1.55 0.04 0.00 1.34 0.00 0.00 72.50 72.33 2kax s THR 28 CO 0.00 -0.63 0.48 -1.48 -0.54 0.00 0.00 174.62 172.45 2kax s LEU 29 N -2.72 0.08 0.37 4.79 2.34 -0.83 -4.32 118.68 118.39 2kax s LEU 29 Ca 0.10 -0.28 -0.27 0.00 0.06 0.00 0.00 54.13 53.73 2kax s LEU 29 Cb -0.01 2.10 -0.09 0.00 -0.56 0.00 0.00 46.19 47.63 2kax s LEU 29 CO 0.00 -0.93 1.29 -0.94 -1.06 0.00 0.00 176.35 174.71 2kax s SER 30 N -2.81 6.56 0.42 1.48 1.04 -1.26 -0.27 113.70 118.86 2kax s SER 30 Ca 0.04 2.64 0.29 0.00 0.48 0.00 0.00 55.95 59.40 2kax s SER 30 Cb 0.00 -2.64 1.42 0.00 0.10 0.00 0.00 66.02 64.90 2kax s SER 30 CO -0.10 -0.68 1.89 -0.09 0.98 0.00 0.00 173.24 175.24 2kax h ARG 31 N 3.01 0.00 0.88 4.02 2.43 -0.66 -0.68 114.38 123.38 2kax h ARG 31 Ca -0.49 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.64 2kax h ARG 31 Cb 1.24 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2kax h ARG 31 CO 0.64 0.00 -0.42 0.87 -1.51 0.00 0.00 179.97 179.55 2kax h LYS 32 N 0.00 -1.14 -0.64 0.20 1.57 -1.12 -3.28 116.57 112.16 2kax h LYS 32 Ca 0.00 0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2kax h LYS 32 Cb 0.21 0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 2kax h LYS 32 CO 0.00 -0.76 0.42 0.93 -0.57 0.00 0.00 179.45 179.48 2kax h GLU 33 N -1.26 0.84 -0.64 3.15 3.07 -1.44 -1.97 114.58 116.34 2kax h GLU 33 Ca -0.12 -0.05 0.06 0.00 -0.50 0.00 0.00 59.36 58.74 2kax h GLU 33 Cb 0.91 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 28.59 2kax h GLU 33 CO 0.20 0.56 0.42 1.25 -1.40 0.00 0.00 179.01 180.04 2kax h LEU 34 N 0.87 0.57 -0.53 1.33 5.85 -1.58 0.16 115.31 121.98 2kax h LEU 34 Ca 0.23 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.84 2kax h LEU 34 Cb -0.10 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 2kax h LEU 34 CO -0.05 0.38 -0.11 0.50 -0.34 0.00 0.00 178.44 178.81 2kax h LYS 35 N 0.66 1.01 -0.22 1.25 3.64 -1.42 -2.74 116.57 118.75 2kax h LYS 35 Ca 0.27 -0.38 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 2kax h LYS 35 Cb 0.23 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2kax h LYS 35 CO -0.08 1.07 0.04 1.49 -2.27 0.00 0.00 179.45 179.70 2kax h GLU 36 N 0.89 0.35 -0.42 1.90 4.81 -1.18 -2.90 114.58 118.03 2kax h GLU 36 Ca 0.14 -0.09 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 2kax h GLU 36 Cb 0.68 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.93 2kax h GLU 36 CO 0.05 0.49 -0.34 1.25 -0.73 0.00 0.00 179.01 179.73 2kax h LEU 37 N 0.16 -1.12 -0.96 1.64 5.85 -0.70 -0.13 115.31 120.05 2kax h LEU 37 Ca 0.07 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2kax h LEU 37 Cb 0.30 0.52 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2kax h LEU 37 CO 0.00 -0.32 0.00 0.40 -0.34 0.00 0.00 178.44 178.18 2kax h ILE 38 N -0.25 0.00 -0.31 4.05 2.04 -1.47 0.14 117.51 121.71 2kax h ILE 38 Ca 0.18 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2kax h ILE 38 Cb 0.54 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2kax h ILE 38 CO -0.56 0.00 0.00 0.29 0.00 0.00 0.00 178.15 177.88 2kax n LYS 39 N -2.31 2.89 0.00 2.37 4.76 -0.33 -3.82 118.16 121.72 2kax n LYS 39 Ca 0.01 -2.02 0.00 0.00 -2.87 0.00 0.00 58.31 53.43 2kax n LYS 39 Cb 0.18 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 2kax n LYS 39 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kax n LYS 40 N 0.38 0.66 0.10 1.97 5.02 -0.21 -4.72 118.16 121.36 2kax n LYS 40 Ca 0.11 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.35 2kax n LYS 40 Cb 0.42 -0.77 0.05 0.00 -0.02 0.00 0.00 35.03 34.71 2kax n LYS 40 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2kax h GLU 41 N 0.00 0.06 -6.15 1.97 -0.00 -0.96 -3.45 114.58 106.05 2kax h GLU 41 Ca 0.00 -0.06 -0.56 0.00 -0.00 0.00 0.00 59.36 58.75 2kax h GLU 41 Cb 0.54 0.02 -0.09 0.00 -0.00 0.00 0.00 28.75 29.22 2kax h GLU 41 CO 0.00 0.81 -0.61 -0.51 -0.00 0.00 0.00 179.01 178.70 2kax s LEU 42 N -7.35 3.21 -0.02 3.06 2.01 -1.24 -5.05 118.68 113.29 2kax s LEU 42 Ca -0.01 -0.71 -0.06 0.00 0.01 0.00 0.00 54.13 53.35 2kax s LEU 42 Cb 0.11 -1.70 -0.02 0.00 0.01 0.00 0.00 46.19 44.59 2kax s LEU 42 CO 0.79 -0.12 -0.12 0.00 1.01 0.00 0.00 176.35 177.92 2kax n LEU 44 N -3.58 0.00 0.00 0.00 4.32 -1.26 -4.91 117.00 111.57 2kax n LEU 44 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 2kax n LEU 44 Cb 0.18 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 2kax n LEU 44 CO 0.07 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.85 2kax n GLY 45 N 0.12 -0.39 2.07 -0.72 0.00 -1.26 -4.90 105.19 100.12 2kax n GLY 45 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2kax n GLY 45 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kax n GLU 46 N -1.72 1.01 0.00 1.61 0.00 -1.26 -4.12 120.64 116.17 2kax n GLU 46 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 57.16 56.73 2kax n GLU 46 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 31.44 29.81 2kax n GLU 46 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2kax n MET 47 N 2.44 0.00 -3.90 3.44 2.81 -1.26 -5.08 117.12 115.56 2kax n MET 47 Ca 0.18 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.72 2kax n MET 47 Cb 0.47 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.86 2kax n MET 47 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2kax s LYS 48 N 0.00 3.65 0.00 0.03 3.01 -1.26 -5.07 119.74 120.10 2kax s LYS 48 Ca 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 55.97 54.47 2kax s LYS 48 Cb 0.00 -3.21 0.00 0.00 -1.01 0.00 0.00 37.83 33.61 2kax s LYS 48 CO 0.00 -0.08 0.00 0.39 0.51 0.00 0.00 175.35 176.17 2kax n GLU 49 N 4.56 0.00 0.19 1.68 4.71 -1.26 -4.63 120.64 125.89 2kax n GLU 49 Ca -0.17 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.11 2kax n GLU 49 Cb 0.52 0.00 0.68 0.00 -1.01 0.00 0.00 31.44 31.62 2kax n GLU 49 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 2kax h SER 50 N 0.00 0.00 0.01 1.62 0.02 -1.97 -0.06 113.55 113.17 2kax h SER 50 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kax h SER 50 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kax h SER 50 CO 0.00 0.00 -0.01 0.28 -1.14 0.00 0.00 176.83 175.96 2kax h SER 51 N 0.00 0.00 1.18 3.07 0.02 -1.87 -2.28 113.55 113.66 2kax h SER 51 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 2kax h SER 51 Cb 0.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2kax h SER 51 CO 0.00 0.01 -0.83 0.16 -1.14 0.00 0.00 176.83 175.03 2kax h ILE 52 N 0.00 1.34 0.03 3.27 -0.00 -1.26 -3.39 117.51 117.51 2kax h ILE 52 Ca -0.00 -2.91 -0.27 0.00 -0.00 0.00 0.00 64.86 61.68 2kax h ILE 52 Cb 0.02 2.66 0.02 0.00 -0.00 0.00 0.00 36.82 39.52 2kax h ILE 52 CO 0.00 0.76 -1.10 0.44 -0.00 0.00 0.00 178.15 178.26 2kax h ASP 53 N 0.00 0.89 -0.22 2.16 5.19 -1.55 -1.04 116.42 121.84 2kax h ASP 53 Ca -0.02 -0.74 0.06 0.00 -0.62 0.00 0.00 57.03 55.71 2kax h ASP 53 Cb 1.62 -0.27 -0.07 0.00 0.18 0.00 0.00 39.33 40.78 2kax h ASP 53 CO 0.10 1.54 -0.32 -0.78 -3.12 0.00 0.00 179.24 176.66 2kax h ASP 54 N 0.36 -1.03 -0.45 6.45 3.58 -1.68 0.22 116.42 123.86 2kax h ASP 54 Ca -0.14 0.16 -0.09 0.00 0.42 0.00 0.00 57.03 57.37 2kax h ASP 54 Cb 1.75 0.45 -0.01 0.00 1.72 0.00 0.00 39.33 43.24 2kax h ASP 54 CO 0.21 -0.34 -0.08 -0.07 -2.88 0.00 0.00 179.24 176.08 2kax h LEU 55 N -0.35 0.86 -1.10 2.28 3.38 -1.74 -0.29 115.31 118.35 2kax h LEU 55 Ca 0.12 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2kax h LEU 55 Cb 0.54 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2kax h LEU 55 CO -0.42 1.00 0.51 0.24 0.09 0.00 0.00 178.44 179.87 2kax h MET 56 N 0.70 1.12 -0.56 1.13 2.86 -0.94 -1.22 114.93 118.02 2kax h MET 56 Ca 0.12 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2kax h MET 56 Cb 0.61 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 2kax h MET 56 CO 0.04 0.78 0.09 0.87 1.06 0.00 0.00 176.91 179.75 2kax h LYS 57 N 1.15 0.90 0.00 1.72 6.56 -0.16 -0.31 116.57 126.42 2kax h LYS 57 Ca 0.30 -0.21 -0.04 0.00 -1.06 0.00 0.00 60.65 59.64 2kax h LYS 57 Cb -0.07 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.47 2kax h LYS 57 CO -0.06 0.83 -0.19 1.03 -2.06 0.00 0.00 179.45 179.01 2kax h SER 58 N 0.85 0.00 -0.00 0.86 0.87 -0.34 -1.53 113.55 114.26 2kax h SER 58 Ca 0.18 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.61 2kax h SER 58 Cb 0.38 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2kax h SER 58 CO 0.01 0.19 -0.49 -0.07 -0.53 0.00 0.00 176.83 175.93 2kax h LEU 59 N 0.00 0.44 -0.64 2.23 3.38 -0.87 -3.37 115.31 116.47 2kax h LEU 59 Ca -0.00 -0.77 0.13 0.00 0.09 0.00 0.00 57.88 57.34 2kax h LEU 59 Cb 0.47 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 40.98 2kax h LEU 59 CO 0.02 1.15 0.01 -0.78 0.09 0.00 0.00 178.44 178.93 2kax h ASP 60 N -0.23 -0.27 -1.00 -0.43 3.58 -0.41 -1.08 116.42 116.57 2kax h ASP 60 Ca -0.06 0.16 0.28 0.00 0.42 0.00 0.00 57.03 57.83 2kax h ASP 60 Cb 1.22 0.28 -0.05 0.00 1.72 0.00 0.00 39.33 42.50 2kax h ASP 60 CO 0.10 -0.12 0.70 0.11 -2.88 0.00 0.00 179.24 177.15 2kax h LYS 61 N 0.12 0.08 0.00 0.28 1.79 -1.47 -3.16 116.57 114.21 2kax h LYS 61 Ca 0.34 -0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.77 2kax h LYS 61 Cb 0.55 -0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 31.10 2kax h LYS 61 CO -0.54 0.05 -0.56 0.09 -1.08 0.00 0.00 179.45 177.41 2kax n ASN 62 N -4.31 0.48 -0.05 0.86 4.13 -0.52 -4.96 115.26 110.90 2kax n ASN 62 Ca 0.21 -2.16 0.24 0.00 1.68 0.00 0.00 54.58 54.55 2kax n ASN 62 Cb 1.01 -0.25 0.59 0.00 -1.54 0.00 0.00 39.78 39.59 2kax n ASN 62 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2kax h SER 63 N 0.23 0.00 -0.33 6.41 0.02 -1.24 -3.00 113.55 115.65 2kax h SER 63 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2kax h SER 63 Cb 1.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.99 2kax h SER 63 CO 0.02 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.18 2kax n ASP 64 N -3.43 2.87 -4.96 3.07 9.92 -1.26 -0.60 116.55 122.15 2kax n ASP 64 Ca 0.15 -1.93 -0.22 0.00 -0.53 0.00 0.00 54.79 52.26 2kax n ASP 64 Cb 1.07 -0.22 -0.02 0.00 -0.64 0.00 0.00 41.12 41.31 2kax n ASP 64 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2kax s GLN 65 N -1.00 3.44 0.41 -1.24 -0.21 -1.13 -4.94 119.66 114.99 2kax s GLN 65 Ca 0.24 -0.71 -0.17 0.00 0.02 0.00 0.00 55.36 54.73 2kax s GLN 65 Cb 0.13 -2.90 -0.09 0.00 1.00 0.00 0.00 33.01 31.14 2kax s GLN 65 CO 0.17 0.45 0.87 -1.21 -2.12 0.00 0.00 175.29 173.45 2kax s GLU 66 N -3.80 4.06 0.17 2.91 2.02 -1.26 -0.42 118.70 122.38 2kax s GLU 66 Ca 0.34 0.88 0.05 0.00 0.02 0.00 0.00 54.97 56.26 2kax s GLU 66 Cb -0.10 -2.27 -0.05 0.00 0.10 0.00 0.00 34.13 31.82 2kax s GLU 66 CO 0.29 -0.02 -0.11 0.96 0.02 0.00 0.00 175.26 176.40 2kax s ILE 67 N -2.22 1.35 0.41 -1.63 -4.36 0.63 -4.85 121.20 110.52 2kax s ILE 67 Ca 0.58 -2.11 0.08 0.00 -0.26 0.00 0.00 60.65 58.94 2kax s ILE 67 Cb -0.10 -1.94 -0.01 0.00 1.25 0.00 0.00 42.46 41.66 2kax s ILE 67 CO 0.20 -0.67 0.44 1.51 0.24 0.00 0.00 174.94 176.65 2kax s ASP 68 N -3.23 5.30 0.56 4.36 -4.77 -1.26 -1.97 116.67 115.66 2kax s ASP 68 Ca 0.19 -0.60 0.37 0.00 -3.30 0.00 0.00 52.55 49.21 2kax s ASP 68 Cb 0.02 -0.65 1.96 0.00 -1.09 0.00 0.00 42.92 43.16 2kax s ASP 68 CO 0.03 -0.66 2.14 0.15 0.70 0.00 0.00 175.17 177.53 2kax h PHE 69 N 0.91 0.00 0.05 2.11 3.57 -1.99 -2.09 116.94 119.50 2kax h PHE 69 Ca -0.41 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 2kax h PHE 69 Cb 1.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.01 2kax h PHE 69 CO 0.47 0.00 -0.02 -0.22 -2.23 0.00 0.00 178.31 176.31 2kax h LYS 70 N 0.00 -0.07 -0.81 1.11 3.64 -1.95 0.05 116.57 118.54 2kax h LYS 70 Ca 0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 2kax h LYS 70 Cb 0.08 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 2kax h LYS 70 CO 0.00 0.41 0.53 0.93 -2.27 0.00 0.00 179.45 179.05 2kax h GLU 71 N -0.57 0.75 -0.29 1.90 4.39 -1.81 -0.69 114.58 118.26 2kax h GLU 71 Ca -0.01 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.49 2kax h GLU 71 Cb 0.51 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2kax h GLU 71 CO 0.01 0.50 -0.44 -0.92 -1.16 0.00 0.00 179.01 177.00 2kax h TYR 72 N 0.77 1.01 -0.44 4.33 3.20 -1.30 -1.03 116.97 123.50 2kax h TYR 72 Ca 0.37 -0.34 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 2kax h TYR 72 Cb 0.40 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2kax h TYR 72 CO -0.00 1.14 -0.27 0.66 -1.64 0.00 0.00 178.16 178.05 2kax h SER 73 N 0.58 0.99 0.35 -2.11 4.64 -0.53 0.25 113.55 117.72 2kax h SER 73 Ca 0.03 -0.40 -0.14 0.00 -0.47 0.00 0.00 61.79 60.81 2kax h SER 73 Cb 1.04 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 2kax h SER 73 CO 0.10 1.19 -0.57 -0.37 -0.87 0.00 0.00 176.83 176.31 2kax h VAL 74 N 0.81 1.38 -0.03 0.95 -1.51 -1.16 -2.24 116.25 114.45 2kax h VAL 74 Ca 0.09 -1.91 -0.10 0.00 -1.23 0.00 0.00 66.70 63.55 2kax h VAL 74 Cb 0.85 1.95 0.01 0.00 -2.13 0.00 0.00 31.29 31.97 2kax h VAL 74 CO 0.08 0.56 -0.38 0.15 -1.23 0.00 0.00 177.57 176.75 2kax h PHE 75 N 0.17 0.44 -0.67 5.19 3.04 -1.00 0.10 116.94 124.22 2kax h PHE 75 Ca -0.00 -0.22 0.08 0.00 3.98 0.00 0.00 57.97 61.81 2kax h PHE 75 Cb 1.06 -0.06 -0.06 0.00 2.56 0.00 0.00 35.95 39.45 2kax h PHE 75 CO 0.02 1.00 0.34 -0.07 -2.02 0.00 0.00 178.31 177.58 2kax h LEU 76 N -0.24 0.45 0.09 0.59 3.38 -1.03 0.20 115.31 118.76 2kax h LEU 76 Ca -0.04 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kax h LEU 76 Cb 1.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2kax h LEU 76 CO 0.08 0.28 -0.04 0.74 0.09 0.00 0.00 178.44 179.58 2kax h THR 77 N 0.60 1.11 -0.90 0.22 2.02 -1.40 -0.80 112.91 113.76 2kax h THR 77 Ca 0.32 -0.82 0.05 0.00 0.77 0.00 0.00 66.41 66.72 2kax h THR 77 Cb 0.30 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.29 2kax h THR 77 CO -0.24 0.20 0.59 -0.03 0.37 0.00 0.00 175.52 176.41 2kax h MET 78 N -0.51 1.06 -0.28 6.66 1.85 -0.65 -0.97 114.93 122.08 2kax h MET 78 Ca -0.01 -0.06 -0.10 0.00 -0.61 0.00 0.00 59.70 58.92 2kax h MET 78 Cb 0.42 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 32.21 2kax h MET 78 CO 0.02 0.70 -0.19 1.25 -0.40 0.00 0.00 176.91 178.29 2kax h LEU 79 N 1.09 0.66 -0.45 3.39 5.85 -0.58 -0.96 115.31 124.31 2kax h LEU 79 Ca 0.37 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2kax h LEU 79 Cb 0.08 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2kax h LEU 79 CO -0.12 0.96 0.25 0.00 -0.34 0.00 0.00 178.44 179.19 2kax n MET 81 N -4.86 0.04 0.11 0.00 2.81 -0.41 -2.54 117.12 112.27 2kax n MET 81 Ca 0.03 0.27 0.11 0.00 -1.81 0.00 0.00 57.70 56.30 2kax n MET 81 Cb 0.08 -1.57 0.47 0.00 -0.71 0.00 0.00 33.22 31.50 2kax n MET 81 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kax n ALA 82 N -1.55 1.65 -2.50 3.04 0.00 -0.37 -3.89 120.51 116.89 2kax n ALA 82 Ca 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.51 2kax n ALA 82 Cb 0.19 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.34 2kax n ALA 82 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2kax n TYR 83 N -2.14 -1.19 0.62 0.00 0.18 -1.14 -4.81 117.16 108.67 2kax n TYR 83 Ca 0.02 -1.39 0.00 0.00 1.88 0.00 0.00 57.90 58.42 2kax n TYR 83 Cb 0.22 1.09 0.07 0.00 -0.38 0.00 0.00 39.34 40.34 2kax n TYR 83 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 2kax n ASN 84 N -1.00 2.15 0.19 9.48 6.94 -1.05 -4.06 115.26 127.91 2kax n ASN 84 Ca -0.18 -2.20 0.18 0.00 -0.02 0.00 0.00 54.58 52.36 2kax n ASN 84 Cb 0.83 -0.54 0.75 0.00 -2.36 0.00 0.00 39.78 38.47 2kax n ASN 84 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 2kax h ASP 85 N 0.66 0.00 0.00 0.53 3.04 -1.90 -1.61 116.42 117.14 2kax h ASP 85 Ca 0.02 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 2kax h ASP 85 Cb 0.90 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.19 2kax h ASP 85 CO 0.12 0.00 0.28 -0.26 -2.04 0.00 0.00 179.24 177.33 2kax h PHE 86 N 0.00 0.00 0.00 4.15 0.04 -1.92 -1.91 116.94 117.31 2kax h PHE 86 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2kax h PHE 86 Cb 0.97 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.12 2kax h PHE 86 CO 0.00 0.00 -1.07 1.19 -0.60 0.00 0.00 178.31 177.83 2kax n PHE 87 N -2.84 0.00 -4.32 -0.55 3.72 -0.61 -5.07 117.46 107.80 2kax n PHE 87 Ca -0.02 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.20 2kax n PHE 87 Cb 0.32 -0.05 -0.06 0.00 -0.94 0.00 0.00 39.48 38.76 2kax n PHE 87 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2kax n LEU 88 N -1.56 0.00 0.01 4.37 4.77 -0.72 -5.06 117.00 118.81 2kax n LEU 88 Ca 0.03 -2.38 0.11 0.00 -0.03 0.00 0.00 56.01 53.74 2kax n LEU 88 Cb 0.34 0.96 -0.02 0.00 -2.33 0.00 0.00 43.42 42.37 2kax n LEU 88 CO 0.42 -0.38 -0.02 -0.62 -1.33 0.00 0.00 177.39 175.46 2kax n GLU 89 N -0.62 0.15 0.00 3.23 4.71 -1.26 -4.95 120.64 121.90 2kax n GLU 89 Ca -0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 2kax n GLU 89 Cb 0.46 -1.53 0.00 0.00 -1.01 0.00 0.00 31.44 29.36 2kax n GLU 89 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2kax n ASP 90 N -1.71 0.00 -0.17 1.62 2.03 -1.26 -5.07 116.55 111.98 2kax n ASP 90 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2kax n ASP 90 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 2kax n ASP 90 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2kax n ASN 91 N 0.00 0.00 0.00 1.67 2.85 -1.26 -4.40 115.26 114.12 2kax n ASN 91 Ca 0.00 -0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.05 2kax n ASN 91 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2kax n ASN 91 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44